USER MOD reduce.3.24.130724 H: found=0, std=0, add=2427, rem=0, adj=78 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 06-DEC-05 2F9S TITLE 2ND CRYSTAL STRUCTURE OF A SOLUBLE DOMAIN OF RESA IN THE TITLE 2 OXIDISED FORM COMPND MOL_ID: 1; COMPND 2 MOLECULE: THIOL-DISULFIDE OXIDOREDUCTASE RESA; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: SOLUBLE EXTRACELLULAR DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 GENE: RESA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21 DERIVATIVE KEYWDS THIOREDOXIN-LIKE PROTEIN, OXIDOREDUCTASE EXPDTA X-RAY DIFFRACTION AUTHOR C.L.COLBERT,Q.WU,P.J.A.ERBEL,K.H.GARDNER,J.DEISENHOFER REVDAT 2 24-FEB-09 2F9S 1 VERSN REVDAT 1 18-APR-06 2F9S 0 JRNL AUTH C.L.COLBERT,Q.WU,P.J.A.ERBEL,K.H.GARDNER, JRNL AUTH 2 J.DEISENHOFER JRNL TITL MECHANISM OF SUBSTRATE SPECIFICITY IN BACILLUS JRNL TITL 2 SUBTILIS RESA, A THIOREDOXIN-LIKE PROTEIN INVOLVED JRNL TITL 3 IN CYTOCHROME C MATURATION JRNL REF PROC.NATL.ACAD.SCI.USA V. 103 4410 2006 JRNL REFN ISSN 0027-8424 JRNL PMID 16537372 JRNL DOI 10.1073/PNAS.0600552103 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.24 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 52.70 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 65610 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 + TEST SET) : 0.163 REMARK 3 R VALUE (WORKING SET) : 0.162 REMARK 3 FREE R VALUE : 0.175 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3477 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.44 REMARK 3 REFLECTION IN BIN (WORKING SET) : 4839 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.1920 REMARK 3 BIN FREE R VALUE SET COUNT : 238 REMARK 3 BIN FREE R VALUE : 0.1850 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2351 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 171 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 13.09 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.36000 REMARK 3 B22 (A**2) : 0.36000 REMARK 3 B33 (A**2) : -0.54000 REMARK 3 B12 (A**2) : 0.18000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.049 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.048 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.029 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.708 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.972 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.968 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2355 ; 0.012 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 2115 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3216 ; 1.747 ; 1.945 REMARK 3 BOND ANGLES OTHERS (DEGREES): 4995 ; 1.241 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 281 ; 8.246 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 370 ; 0.122 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2527 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 438 ; 0.004 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 424 ; 0.290 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 2333 ; 0.240 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): 1255 ; 0.113 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 112 ; 0.207 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 12 ; 0.384 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 47 ; 0.338 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 13 ; 0.245 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1410 ; 1.102 ; 2.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2345 ; 1.847 ; 3.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 945 ; 1.825 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 867 ; 2.722 ; 3.000 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2F9S COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-DEC-05. REMARK 100 THE RCSB ID CODE IS RCSB035629. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 11-NOV-03; NULL REMARK 200 TEMPERATURE (KELVIN) : 100; NULL REMARK 200 PH : 6.8 REMARK 200 NUMBER OF CRYSTALS USED : 2 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; Y REMARK 200 RADIATION SOURCE : APS; APS REMARK 200 BEAMLINE : 19-BM; 19-BM REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9641; 0.9807, 0.9808, 0.9537 REMARK 200 MONOCHROMATOR : SI; SI REMARK 200 OPTICS : NULL; NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD; NULL REMARK 200 DETECTOR MANUFACTURER : SBC; NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 69296 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.401 REMARK 200 RESOLUTION RANGE LOW (A) : 52.700 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 1.0 REMARK 200 DATA REDUNDANCY : 5.200 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.05100 REMARK 200 FOR THE DATA SET : 17.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.45 REMARK 200 COMPLETENESS FOR SHELL (%) : 1.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.35300 REMARK 200 FOR SHELL : 1.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.96 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.61 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 100MM TRIS HCL; 2.2M AMMONIUM REMARK 280 SULFATE; 2MM L-CYSTEINE, PH 6.8, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 111.33267 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 55.66633 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 83.49950 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 27.83317 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 139.16583 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 300 REMARK: MONOMER IS THE BIOLOGICAL ASSEMBLY 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 SER A 37 REMARK 465 GLU A 176 REMARK 465 THR A 177 REMARK 465 SER A 178 REMARK 465 GLY A 179 REMARK 465 LEU A 180 REMARK 465 GLU A 181 REMARK 465 HIS A 182 REMARK 465 HIS A 183 REMARK 465 HIS A 184 REMARK 465 HIS A 185 REMARK 465 HIS A 186 REMARK 465 HIS A 187 REMARK 465 SER B 37 REMARK 465 GLU B 38 REMARK 465 GLY B 39 REMARK 465 GLU B 176 REMARK 465 THR B 177 REMARK 465 SER B 178 REMARK 465 GLY B 179 REMARK 465 LEU B 180 REMARK 465 GLU B 181 REMARK 465 HIS B 182 REMARK 465 HIS B 183 REMARK 465 HIS B 184 REMARK 465 HIS B 185 REMARK 465 HIS B 186 REMARK 465 HIS B 187 REMARK 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 GLY A 175 REMARK 475 GLY B 175 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLU A 38 CG CD OE1 OE2 REMARK 480 ARG A 54 NE CZ NH1 NH2 REMARK 480 LYS A 63 CE NZ REMARK 480 GLU A 75 CB CG CD OE1 OE2 REMARK 480 MSE A 84 CG SE CE REMARK 480 LYS A 89 CE NZ REMARK 480 GLU A 149 CB CG CD OE1 OE2 REMARK 480 LYS A 151 CE NZ REMARK 480 MSE A 160 CG SE CE REMARK 480 MSE A 169 CG SE CE REMARK 480 LYS B 61 CB CG CD CE NZ REMARK 480 ASN B 86 CA CB CG OD1 ND2 REMARK 480 ILE B 108 CB CG1 CG2 CD1 REMARK 480 LYS B 115 CD CE NZ REMARK 480 GLN B 130 CG CD OE1 NE2 REMARK 480 ASP B 133 CB CG OD1 OD2 REMARK 480 ASP B 136 CB CG OD1 OD2 REMARK 480 ASP B 167 CB CG OD1 OD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OD1 ASP A 128 O HOH A 260 2.00 REMARK 500 OD2 ASP B 167 O HOH B 254 2.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 LYS A 89 CD LYS A 89 CE -0.170 REMARK 500 GLU A 149 CB GLU A 149 CG 0.352 REMARK 500 GLU A 149 CG GLU A 149 CD -0.206 REMARK 500 GLU A 149 CD GLU A 149 OE1 -0.076 REMARK 500 GLU A 149 CD GLU A 149 OE2 -0.237 REMARK 500 LYS A 151 CD LYS A 151 CE -0.396 REMARK 500 PRO A 174 C GLY A 175 N -0.663 REMARK 500 PRO B 174 C GLY B 175 N -0.318 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU A 149 CG - CD - OE2 ANGL. DEV. = 12.3 DEGREES REMARK 500 LYS A 151 CG - CD - CE ANGL. DEV. = 40.4 DEGREES REMARK 500 PRO A 174 O - C - N ANGL. DEV. = 12.1 DEGREES REMARK 500 GLY A 175 C - N - CA ANGL. DEV. = 37.1 DEGREES REMARK 500 PRO B 174 CA - C - N ANGL. DEV. = 17.9 DEGREES REMARK 500 PRO B 174 O - C - N ANGL. DEV. = -11.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 SER A 138 -77.77 -118.82 REMARK 500 SER B 138 126.48 -179.95 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 PRO B 174 -10.40 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ST9 RELATED DB: PDB REMARK 900 SIMILAR STRUCTURE FROM ALTERNATIVE CONDITIONS. REMARK 900 RELATED ID: 1SU9 RELATED DB: PDB REMARK 900 REDUCED FORM OF RESA DBREF 2F9S A 37 179 UNP P35160 RESA_BACSU 37 179 DBREF 2F9S B 37 179 UNP P35160 RESA_BACSU 37 179 SEQADV 2F9S MSE A 84 UNP P35160 MET 84 MODIFIED RESIDUE SEQADV 2F9S MSE A 114 UNP P35160 MET 114 MODIFIED RESIDUE SEQADV 2F9S MSE A 160 UNP P35160 MET 160 MODIFIED RESIDUE SEQADV 2F9S MSE A 164 UNP P35160 MET 164 MODIFIED RESIDUE SEQADV 2F9S MSE A 169 UNP P35160 MET 169 MODIFIED RESIDUE SEQADV 2F9S LEU A 180 UNP P35160 EXPRESSION TAG SEQADV 2F9S GLU A 181 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS A 182 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS A 183 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS A 184 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS A 185 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS A 186 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS A 187 UNP P35160 EXPRESSION TAG SEQADV 2F9S MSE B 84 UNP P35160 MET 84 MODIFIED RESIDUE SEQADV 2F9S MSE B 114 UNP P35160 MET 114 MODIFIED RESIDUE SEQADV 2F9S MSE B 160 UNP P35160 MET 160 MODIFIED RESIDUE SEQADV 2F9S MSE B 164 UNP P35160 MET 164 MODIFIED RESIDUE SEQADV 2F9S MSE B 169 UNP P35160 MET 169 MODIFIED RESIDUE SEQADV 2F9S LEU B 180 UNP P35160 EXPRESSION TAG SEQADV 2F9S GLU B 181 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS B 182 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS B 183 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS B 184 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS B 185 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS B 186 UNP P35160 EXPRESSION TAG SEQADV 2F9S HIS B 187 UNP P35160 EXPRESSION TAG SEQRES 1 A 151 SER GLU GLY SER ASP ALA PRO ASN PHE VAL LEU GLU ASP SEQRES 2 A 151 THR ASN GLY LYS ARG ILE GLU LEU SER ASP LEU LYS GLY SEQRES 3 A 151 LYS GLY VAL PHE LEU ASN PHE TRP GLY THR TRP CYS GLU SEQRES 4 A 151 PRO CYS LYS LYS GLU PHE PRO TYR MSE ALA ASN GLN TYR SEQRES 5 A 151 LYS HIS PHE LYS SER GLN GLY VAL GLU ILE VAL ALA VAL SEQRES 6 A 151 ASN VAL GLY GLU SER LYS ILE ALA VAL HIS ASN PHE MSE SEQRES 7 A 151 LYS SER TYR GLY VAL ASN PHE PRO VAL VAL LEU ASP THR SEQRES 8 A 151 ASP ARG GLN VAL LEU ASP ALA TYR ASP VAL SER PRO LEU SEQRES 9 A 151 PRO THR THR PHE LEU ILE ASN PRO GLU GLY LYS VAL VAL SEQRES 10 A 151 LYS VAL VAL THR GLY THR MSE THR GLU SER MSE ILE HIS SEQRES 11 A 151 ASP TYR MSE ASN LEU ILE LYS PRO GLY GLU THR SER GLY SEQRES 12 A 151 LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 151 SER GLU GLY SER ASP ALA PRO ASN PHE VAL LEU GLU ASP SEQRES 2 B 151 THR ASN GLY LYS ARG ILE GLU LEU SER ASP LEU LYS GLY SEQRES 3 B 151 LYS GLY VAL PHE LEU ASN PHE TRP GLY THR TRP CYS GLU SEQRES 4 B 151 PRO CYS LYS LYS GLU PHE PRO TYR MSE ALA ASN GLN TYR SEQRES 5 B 151 LYS HIS PHE LYS SER GLN GLY VAL GLU ILE VAL ALA VAL SEQRES 6 B 151 ASN VAL GLY GLU SER LYS ILE ALA VAL HIS ASN PHE MSE SEQRES 7 B 151 LYS SER TYR GLY VAL ASN PHE PRO VAL VAL LEU ASP THR SEQRES 8 B 151 ASP ARG GLN VAL LEU ASP ALA TYR ASP VAL SER PRO LEU SEQRES 9 B 151 PRO THR THR PHE LEU ILE ASN PRO GLU GLY LYS VAL VAL SEQRES 10 B 151 LYS VAL VAL THR GLY THR MSE THR GLU SER MSE ILE HIS SEQRES 11 B 151 ASP TYR MSE ASN LEU ILE LYS PRO GLY GLU THR SER GLY SEQRES 12 B 151 LEU GLU HIS HIS HIS HIS HIS HIS MODRES 2F9S MSE A 84 MET SELENOMETHIONINE MODRES 2F9S MSE A 114 MET SELENOMETHIONINE MODRES 2F9S MSE A 160 MET SELENOMETHIONINE MODRES 2F9S MSE A 164 MET SELENOMETHIONINE MODRES 2F9S MSE A 169 MET SELENOMETHIONINE MODRES 2F9S MSE B 84 MET SELENOMETHIONINE MODRES 2F9S MSE B 114 MET SELENOMETHIONINE MODRES 2F9S MSE B 160 MET SELENOMETHIONINE MODRES 2F9S MSE B 164 MET SELENOMETHIONINE MODRES 2F9S MSE B 169 MET SELENOMETHIONINE HET MSE A 84 11 HET MSE A 114 8 HET MSE A 160 11 HET MSE A 164 8 HET MSE A 169 11 HET MSE B 84 8 HET MSE B 114 8 HET MSE B 160 8 HET MSE B 164 8 HET MSE B 169 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 10(C5 H11 N O2 SE) FORMUL 3 HOH *171(H2 O) HELIX 1 1 SER A 58 LYS A 61 5 4 HELIX 2 2 CYS A 74 LYS A 92 1 19 HELIX 3 3 SER A 106 GLY A 118 1 13 HELIX 4 4 ARG A 129 TYR A 135 1 7 HELIX 5 5 THR A 161 LYS A 173 1 13 HELIX 6 6 SER B 58 LYS B 61 5 4 HELIX 7 7 CYS B 74 LYS B 92 1 19 HELIX 8 8 SER B 106 GLY B 118 1 13 HELIX 9 9 ARG B 129 TYR B 135 1 7 HELIX 10 10 THR B 161 LYS B 173 1 13 SHEET 1 A 6 SER A 40 ASP A 41 0 SHEET 2 A 6 LYS A 151 THR A 157 -1 O VAL A 152 N SER A 40 SHEET 3 A 6 THR A 142 ILE A 146 -1 N LEU A 145 O LYS A 154 SHEET 4 A 6 GLY A 64 TRP A 70 -1 N PHE A 69 O THR A 142 SHEET 5 A 6 VAL A 96 VAL A 103 1 O GLU A 97 N GLY A 64 SHEET 6 A 6 VAL A 123 ASP A 126 1 O VAL A 124 N ASN A 102 SHEET 1 B 2 VAL A 46 GLU A 48 0 SHEET 2 B 2 ARG A 54 GLU A 56 -1 O ILE A 55 N LEU A 47 SHEET 1 C 2 VAL B 46 GLU B 48 0 SHEET 2 C 2 ARG B 54 GLU B 56 -1 O ILE B 55 N LEU B 47 SHEET 1 D 5 VAL B 123 ASP B 126 0 SHEET 2 D 5 VAL B 96 VAL B 103 1 N ASN B 102 O VAL B 124 SHEET 3 D 5 GLY B 64 TRP B 70 1 N GLY B 64 O GLU B 97 SHEET 4 D 5 THR B 142 ILE B 146 -1 O THR B 142 N PHE B 69 SHEET 5 D 5 VAL B 152 THR B 157 -1 O VAL B 153 N LEU B 145 SSBOND *** CYS A 74 CYS A 77 1555 1555 2.99 SSBOND *** CYS B 74 CYS B 77 1555 1555 2.94 LINK C TYR A 83 N MSE A 84 1555 1555 1.33 LINK C MSE A 84 N ALA A 85 1555 1555 1.32 LINK C PHE A 113 N MSE A 114 1555 1555 1.32 LINK C MSE A 114 N LYS A 115 1555 1555 1.33 LINK C THR A 159 N MSE A 160 1555 1555 1.32 LINK C MSE A 160 N THR A 161 1555 1555 1.32 LINK C SER A 163 N MSE A 164 1555 1555 1.33 LINK C MSE A 164 N ILE A 165 1555 1555 1.33 LINK C TYR A 168 N MSE A 169 1555 1555 1.33 LINK C MSE A 169 N ASN A 170 1555 1555 1.34 LINK C TYR B 83 N MSE B 84 1555 1555 1.33 LINK C MSE B 84 N ALA B 85 1555 1555 1.33 LINK C PHE B 113 N MSE B 114 1555 1555 1.33 LINK C MSE B 114 N LYS B 115 1555 1555 1.32 LINK C THR B 159 N MSE B 160 1555 1555 1.33 LINK C MSE B 160 N THR B 161 1555 1555 1.33 LINK C SER B 163 N MSE B 164 1555 1555 1.33 LINK C MSE B 164 N ILE B 165 1555 1555 1.33 LINK C TYR B 168 N MSE B 169 1555 1555 1.33 LINK C MSE B 169 N ASN B 170 1555 1555 1.33 CISPEP 1 LEU A 140 PRO A 141 0 -3.59 CISPEP 2 PRO A 174 GLY A 175 0 3.25 CISPEP 3 SER B 138 PRO B 139 0 -4.27 CISPEP 4 LEU B 140 PRO B 141 0 -8.40 CRYST1 61.186 61.186 166.999 90.00 90.00 120.00 P 65 12 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 0.016344 0.009436 0.000000 0.00000 SCALE2 0.000000 0.018872 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005988 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 161 THR OG1 : rot 117:sc= 1.12 USER MOD Set 1.2: B 163 SER OG B: rot 83:sc= 0.156 USER MOD Set 2.1: B 142 THR OG1 : rot 81:sc= 2.15 USER MOD Set 2.2: B 157 THR OG1 : rot -68:sc= 0.0111 USER MOD Set 3.1: B 68 ASN : amide:sc= 1.79 K(o=2.9,f=2.2) USER MOD Set 3.2: B 143 THR OG1 : rot 86:sc= 1.11 USER MOD Set 4.1: B 90 HIS : no HE2:sc= -2.36 K(o=-0.38,f=0.99) USER MOD Set 4.2: B 94 GLN B: amide:sc= -0.996 K(o=-0.38,f=-1.4) USER MOD Set 4.3: B 170 ASN : amide:sc= 1.59 K(o=-0.38,f=-5.1!) USER MOD Set 4.4: B 173 LYS NZ :NH3+ -162:sc= 1.38 (180deg=0) USER MOD Set 5.1: B 88 TYR OH : rot 44:sc= 1.57 USER MOD Set 5.2: B 92 LYS NZ :NH3+ 149:sc= 0.291 (180deg=-0.14) USER MOD Set 6.1: B 87 GLN : amide:sc= 0.886 K(o=2.1,f=-0.063) USER MOD Set 6.2: B 166 HIS : no HE2:sc= 1.22 K(o=2.1,f=-3.4!) USER MOD Set 7.1: B 79 LYS NZ :NH3+ -179:sc= -0.379 (180deg=-0.4) USER MOD Set 7.2: B 83 TYR OH : rot 30:sc= 0.164 USER MOD Set 8.1: B 74 CYS SG A: rot -117:sc=-0.00892! USER MOD Set 8.2: B 77 CYS SG : rot 103:sc= -2.06! USER MOD Set 9.1: B 44 ASN : amide:sc= -0.16 K(o=0.89,f=-4.2!) USER MOD Set 9.2: B 58 SER OG : rot 87:sc= 1.05 USER MOD Set10.1: A 90 HIS : no HE2:sc= 0.676 K(o=5.4,f=4.4) USER MOD Set10.2: A 94 GLN : amide:sc= 1.34 K(o=5.4,f=-3.7!) USER MOD Set10.3: A 170 ASN : amide:sc= 1.82 K(o=5.4,f=-0.28!) USER MOD Set10.4: A 173 LYS NZ :NH3+ -163:sc= 1.58 (180deg=0) USER MOD Set11.1: A 111 HIS : no HD1:sc= 0.555 K(o=0.91,f=-2.1!) USER MOD Set11.2: A 112 ASN : amide:sc= 0.359 K(o=0.91,f=-0.74!) USER MOD Set12.1: A 107 LYS NZ :NH3+ 147:sc= -1.12 (180deg=0) USER MOD Set12.2: B 111 HIS A: no HE2:sc= -14! C(o=-15!,f=-19!) USER MOD Set12.3: B 111 HIS B: no HE2:sc= 0.101 K(o=-15,f=-18) USER MOD Set13.1: A 87 GLN : amide:sc= 1.51 K(o=2.4,f=-0.64) USER MOD Set13.2: A 166 HIS : no HE2:sc= 0.924 K(o=2.4,f=-4.7!) USER MOD Set14.1: A 74 CYS SG A: rot -114:sc= 0.5! USER MOD Set14.2: A 77 CYS SG : rot 106:sc= -0.849! USER MOD Set15.1: A 68 ASN : amide:sc= 0.917 K(o=2,f=2.5) USER MOD Set15.2: A 143 THR OG1 : rot -55:sc= 1.07 USER MOD Set16.1: A 44 ASN : amide:sc= 0.378 K(o=1.5,f=-3.2!) USER MOD Set16.2: A 58 SER OG : rot 85:sc= 1.1 USER MOD Single : A 40 SER OG : rot 103:sc= 1.3 USER MOD Single : A 50 THR OG1 : rot -76:sc= 2.17 USER MOD Single : A 51 ASN : amide:sc= 1.42 K(o=1.4,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 1 (180deg=0.999) USER MOD Single : A 61 LYS NZ A:NH3+ 167:sc= -1.87 (180deg=-2.09) USER MOD Single : A 61 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -66:sc= 1.95 USER MOD Single : A 74 CYS SG B: rot -12:sc= 1.42 USER MOD Single : A 78 LYS NZ :NH3+ -116:sc= 0.931 (180deg=-0.0493) USER MOD Single : A 79 LYS NZ A:NH3+ -174:sc= 0 (180deg=-0.0273) USER MOD Single : A 79 LYS NZ B:NH3+ 161:sc= -0.0206 (180deg=-0.147) USER MOD Single : A 83 TYR OH : rot 180:sc= 0.225 USER MOD Single : A 86 ASN A: amide:sc= 1 K(o=1,f=-2.2!) USER MOD Single : A 86 ASN B: amide:sc= -0.728 K(o=-0.73,f=0.88) USER MOD Single : A 88 TYR OH : rot 40:sc= 1.29 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 1.65 K(o=1.6,f=-3.9!) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= 0.864 (180deg=0.773) USER MOD Single : A 116 SER OG : rot 85:sc= 0.177 USER MOD Single : A 117 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 120 ASN A: amide:sc= -1.76! K(o=-1.8!,f=-0.16) USER MOD Single : A 120 ASN B: amide:sc= 0.188 K(o=0.19,f=-3.3!) USER MOD Single : A 127 THR OG1A: rot 180:sc= 0 USER MOD Single : A 127 THR OG1B: rot -83:sc= 0.577 USER MOD Single : A 130 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.065) USER MOD Single : A 135 TYR OH : rot -28:sc= 1.11 USER MOD Single : A 138 SER OG A: rot 180:sc= 0 USER MOD Single : A 138 SER OG B: rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 79:sc= 1.85 USER MOD Single : A 147 ASN : amide:sc= 0.417 K(o=0.42,f=-3.3!) USER MOD Single : A 151 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.2) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 93:sc= 1.9 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 163 SER OG A: rot 83:sc= 0.0274 USER MOD Single : A 163 SER OG B: rot 180:sc= 0 USER MOD Single : A 168 TYR OH : rot 36:sc= 0.341 USER MOD Single : B 40 SER OG : rot -29:sc= 0.163 USER MOD Single : B 50 THR OG1 : rot 91:sc= 2.25 USER MOD Single : B 51 ASN A: amide:sc= 1.1 K(o=1.1,f=-0.72) USER MOD Single : B 51 ASN B: amide:sc= -1.9 K(o=-1.9,f=-0.17) USER MOD Single : B 53 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ A:NH3+ 160:sc= 0.915 (180deg=0.433) USER MOD Single : B 61 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 LYS NZ :NH3+ -179:sc= 3.08 (180deg=3.04) USER MOD Single : B 72 THR OG1 : rot -87:sc= 2.33 USER MOD Single : B 74 CYS SG B: rot 1:sc= 2 USER MOD Single : B 78 LYS NZ :NH3+ -172:sc= 0.221 (180deg=0.202) USER MOD Single : B 86 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : B 86 ASN B: amide:sc= 1.14 K(o=1.1,f=-0.26) USER MOD Single : B 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 SER OG : rot -85:sc= 0.727 USER MOD Single : B 94 GLN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : B 102 ASN : amide:sc= 1.38 K(o=1.4,f=-4.1!) USER MOD Single : B 106 SER OG : rot 180:sc= 0.137 USER MOD Single : B 107 LYS NZ :NH3+ -161:sc= 1.41 (180deg=1.14) USER MOD Single : B 112 ASN : amide:sc= 0.383 K(o=0.38,f=-0.68!) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 SER OG A: rot 83:sc= 0.0597 USER MOD Single : B 116 SER OG B: rot 180:sc= 0 USER MOD Single : B 117 TYR OH : rot 180:sc= -0.0287 USER MOD Single : B 120 ASN A: amide:sc= -0.0841 K(o=-0.084,f=-1.2!) USER MOD Single : B 120 ASN B: amide:sc= -0.0596 K(o=-0.06,f=-5.6!) USER MOD Single : B 127 THR OG1A: rot -100:sc= 1.12 USER MOD Single : B 127 THR OG1B: rot 180:sc= 0 USER MOD Single : B 130 GLN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : B 130 GLN B: amide:sc= 0.0837 X(o=0.084,f=-0.21) USER MOD Single : B 135 TYR OH : rot -35:sc= 1.23 USER MOD Single : B 138 SER OG A: rot 180:sc= 0 USER MOD Single : B 138 SER OG B: rot 12:sc= -6.17! USER MOD Single : B 147 ASN : amide:sc= 0.335 K(o=0.34,f=-4.8!) USER MOD Single : B 151 LYS NZ :NH3+ -161:sc= 1.3 (180deg=0.549) USER MOD Single : B 154 LYS NZ A:NH3+ 152:sc= 0.665 (180deg=0.255) USER MOD Single : B 154 LYS NZ B:NH3+ -176:sc= 1.99 (180deg=1.97) USER MOD Single : B 159 THR OG1 : rot 85:sc= 1.87 USER MOD Single : B 163 SER OG A: rot 29:sc= 0.144 USER MOD Single : B 168 TYR OH : rot 30:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 38 -12.006 26.239 20.302 1.00 25.35 N ATOM 2 CA GLU A 38 -12.075 26.721 18.928 1.00 24.37 C ATOM 3 C GLU A 38 -12.327 25.575 17.955 1.00 23.13 C ATOM 4 O GLU A 38 -11.975 24.427 18.242 1.00 24.35 O ATOM 5 CB GLU A 38 -10.792 27.464 18.557 1.00 24.16 C ATOM 6 CG GLU A 38 -10.865 28.206 17.234 0.00 33.87 C ATOM 7 CD GLU A 38 -9.576 28.930 16.899 0.00 38.22 C ATOM 8 OE1 GLU A 38 -8.625 28.851 17.703 0.00 42.24 O ATOM 9 OE2 GLU A 38 -9.518 29.577 15.833 0.00 42.22 O ATOM 0 HA GLU A 38 -12.821 27.338 18.864 1.00 24.37 H new ATOM 0 HB2 GLU A 38 -10.582 28.098 19.261 1.00 24.16 H new ATOM 0 HB3 GLU A 38 -10.061 26.828 18.520 1.00 24.16 H new ATOM 0 HG2 GLU A 38 -11.072 27.577 16.525 0.00 33.87 H new ATOM 0 HG3 GLU A 38 -11.593 28.847 17.266 0.00 33.87 H new ATOM 10 N GLY A 39 -12.925 25.873 16.823 1.00 21.50 N ATOM 11 CA GLY A 39 -13.133 24.864 15.795 1.00 21.70 C ATOM 12 C GLY A 39 -14.329 23.975 16.047 1.00 22.30 C ATOM 13 O GLY A 39 -15.019 24.092 17.071 1.00 23.23 O ATOM 0 H GLY A 39 -13.221 26.655 16.624 1.00 21.50 H new ATOM 0 HA2 GLY A 39 -13.243 25.305 14.938 1.00 21.70 H new ATOM 0 HA3 GLY A 39 -12.338 24.312 15.730 1.00 21.70 H new ATOM 14 N SER A 40 -14.584 23.088 15.084 1.00 20.85 N ATOM 15 CA SER A 40 -15.605 22.057 15.194 1.00 22.19 C ATOM 16 C SER A 40 -14.930 20.690 15.068 1.00 22.26 C ATOM 17 O SER A 40 -13.835 20.559 14.518 1.00 19.79 O ATOM 18 CB SER A 40 -16.667 22.228 14.110 1.00 23.32 C ATOM 19 OG SER A 40 -16.092 22.200 12.821 1.00 23.45 O ATOM 0 H SER A 40 -14.158 23.072 14.337 1.00 20.85 H new ATOM 0 HA SER A 40 -16.048 22.129 16.054 1.00 22.19 H new ATOM 0 HB2 SER A 40 -17.328 21.522 14.187 1.00 23.32 H new ATOM 0 HB3 SER A 40 -17.133 23.069 14.240 1.00 23.32 H new ATOM 0 HG SER A 40 -16.233 21.451 12.467 1.00 23.45 H new ATOM 20 N ASP A 41 -15.591 19.651 15.554 1.00 24.60 N ATOM 21 CA ASP A 41 -14.941 18.350 15.613 1.00 25.78 C ATOM 22 C ASP A 41 -14.796 17.763 14.210 1.00 23.82 C ATOM 23 O ASP A 41 -15.761 17.772 13.447 1.00 24.34 O ATOM 24 CB ASP A 41 -15.713 17.428 16.548 1.00 29.00 C ATOM 25 CG ASP A 41 -15.741 17.963 17.960 1.00 31.00 C ATOM 26 OD1 ASP A 41 -16.697 18.684 18.315 1.00 35.84 O ATOM 27 OD2 ASP A 41 -14.812 17.754 18.763 1.00 35.43 O ATOM 0 H ASP A 41 -16.398 19.674 15.849 1.00 24.60 H new ATOM 0 HA ASP A 41 -14.046 18.450 15.973 1.00 25.78 H new ATOM 0 HB2 ASP A 41 -16.621 17.323 16.223 1.00 29.00 H new ATOM 0 HB3 ASP A 41 -15.307 16.547 16.543 1.00 29.00 H new ATOM 28 N ALA A 42 -13.579 17.310 13.880 1.00 20.79 N ATOM 29 CA ALA A 42 -13.306 16.743 12.557 1.00 17.92 C ATOM 30 C ALA A 42 -13.754 15.285 12.569 1.00 16.38 C ATOM 31 O ALA A 42 -13.236 14.499 13.379 1.00 17.50 O ATOM 32 CB ALA A 42 -11.827 16.840 12.202 1.00 17.52 C ATOM 0 H ALA A 42 -12.901 17.323 14.409 1.00 20.79 H new ATOM 0 HA ALA A 42 -13.793 17.244 11.884 1.00 17.92 H new ATOM 0 HB1 ALA A 42 -11.679 16.457 11.323 1.00 17.52 H new ATOM 0 HB2 ALA A 42 -11.555 17.771 12.199 1.00 17.52 H new ATOM 0 HB3 ALA A 42 -11.304 16.353 12.858 1.00 17.52 H new ATOM 33 N PRO A 43 -14.697 14.910 11.712 1.00 15.25 N ATOM 34 CA PRO A 43 -15.104 13.500 11.601 1.00 14.94 C ATOM 35 C PRO A 43 -13.903 12.585 11.372 1.00 14.94 C ATOM 36 O PRO A 43 -13.106 12.784 10.440 1.00 15.45 O ATOM 37 CB PRO A 43 -16.048 13.500 10.405 1.00 16.76 C ATOM 38 CG PRO A 43 -16.645 14.856 10.433 1.00 16.58 C ATOM 39 CD PRO A 43 -15.505 15.766 10.818 1.00 15.20 C ATOM 0 HA PRO A 43 -15.521 13.163 12.409 1.00 14.94 H new ATOM 0 HB2 PRO A 43 -15.573 13.336 9.575 1.00 16.76 H new ATOM 0 HB3 PRO A 43 -16.725 12.810 10.485 1.00 16.76 H new ATOM 0 HG2 PRO A 43 -17.013 15.097 9.568 1.00 16.58 H new ATOM 0 HG3 PRO A 43 -17.371 14.909 11.075 1.00 16.58 H new ATOM 0 HD2 PRO A 43 -14.999 16.058 10.044 1.00 15.20 H new ATOM 0 HD3 PRO A 43 -15.818 16.565 11.270 1.00 15.20 H new ATOM 40 N ASN A 44 -13.787 11.569 12.211 1.00 15.19 N ATOM 41 CA ASN A 44 -12.706 10.616 12.052 1.00 14.62 C ATOM 42 C ASN A 44 -13.002 9.747 10.848 1.00 14.12 C ATOM 43 O ASN A 44 -14.153 9.592 10.435 1.00 15.86 O ATOM 44 CB ASN A 44 -12.551 9.767 13.309 1.00 14.90 C ATOM 45 CG ASN A 44 -11.202 9.071 13.398 1.00 16.03 C ATOM 46 OD1 ASN A 44 -10.214 9.394 12.703 1.00 15.26 O ATOM 47 ND2 ASN A 44 -11.159 8.058 14.245 1.00 18.91 N ATOM 0 H ASN A 44 -14.317 11.415 12.871 1.00 15.19 H new ATOM 0 HA ASN A 44 -11.870 11.088 11.914 1.00 14.62 H new ATOM 0 HB2 ASN A 44 -12.670 10.330 14.090 1.00 14.90 H new ATOM 0 HB3 ASN A 44 -13.255 9.100 13.331 1.00 14.90 H new ATOM 0 HD21 ASN A 44 -10.437 7.599 14.330 1.00 18.91 H new ATOM 0 HD22 ASN A 44 -11.853 7.857 14.711 1.00 18.91 H new ATOM 48 N PHE A 45 -11.950 9.209 10.254 1.00 12.52 N ATOM 49 CA PHE A 45 -12.057 8.261 9.152 1.00 13.39 C ATOM 50 C PHE A 45 -10.838 7.360 9.105 1.00 13.01 C ATOM 51 O PHE A 45 -9.792 7.717 9.642 1.00 12.39 O ATOM 52 CB PHE A 45 -12.264 8.961 7.796 1.00 14.08 C ATOM 53 CG PHE A 45 -11.121 9.833 7.350 1.00 14.73 C ATOM 54 CD1 PHE A 45 -10.019 9.297 6.717 1.00 16.82 C ATOM 55 CD2 PHE A 45 -11.165 11.210 7.538 1.00 15.20 C ATOM 56 CE1 PHE A 45 -8.966 10.101 6.287 1.00 17.20 C ATOM 57 CE2 PHE A 45 -10.122 12.010 7.103 1.00 16.69 C ATOM 58 CZ PHE A 45 -9.035 11.475 6.481 1.00 17.60 C ATOM 0 H PHE A 45 -11.140 9.385 10.481 1.00 12.52 H new ATOM 0 HA PHE A 45 -12.845 7.719 9.317 1.00 13.39 H new ATOM 0 HB2 PHE A 45 -12.421 8.285 7.119 1.00 14.08 H new ATOM 0 HB3 PHE A 45 -13.067 9.503 7.846 1.00 14.08 H new ATOM 0 HD1 PHE A 45 -9.978 8.379 6.574 1.00 16.82 H new ATOM 0 HD2 PHE A 45 -11.899 11.596 7.958 1.00 15.20 H new ATOM 0 HE1 PHE A 45 -8.224 9.722 5.874 1.00 17.20 H new ATOM 0 HE2 PHE A 45 -10.164 12.929 7.238 1.00 16.69 H new ATOM 0 HZ PHE A 45 -8.344 12.025 6.188 1.00 17.60 H new ATOM 59 N VAL A 46 -10.978 6.233 8.425 1.00 13.44 N ATOM 60 CA VAL A 46 -9.885 5.348 8.066 1.00 13.96 C ATOM 61 C VAL A 46 -9.994 5.086 6.565 1.00 14.32 C ATOM 62 O VAL A 46 -11.022 4.598 6.102 1.00 15.60 O ATOM 63 CB VAL A 46 -9.969 3.988 8.813 1.00 16.01 C ATOM 64 CG1 VAL A 46 -8.782 3.103 8.409 1.00 17.45 C ATOM 65 CG2 VAL A 46 -10.010 4.199 10.321 1.00 17.41 C ATOM 0 H VAL A 46 -11.743 5.952 8.149 1.00 13.44 H new ATOM 0 HA VAL A 46 -9.044 5.766 8.310 1.00 13.96 H new ATOM 0 HB VAL A 46 -10.791 3.539 8.560 1.00 16.01 H new ATOM 0 HG11 VAL A 46 -8.837 2.255 8.876 1.00 17.45 H new ATOM 0 HG12 VAL A 46 -8.806 2.946 7.452 1.00 17.45 H new ATOM 0 HG13 VAL A 46 -7.952 3.548 8.643 1.00 17.45 H new ATOM 0 HG21 VAL A 46 -10.062 3.339 10.767 1.00 17.41 H new ATOM 0 HG22 VAL A 46 -9.206 4.662 10.605 1.00 17.41 H new ATOM 0 HG23 VAL A 46 -10.788 4.731 10.553 1.00 17.41 H new ATOM 66 N LEU A 47 -8.956 5.421 5.801 1.00 12.79 N ATOM 67 CA LEU A 47 -8.894 5.157 4.368 1.00 12.85 C ATOM 68 C LEU A 47 -7.529 4.617 4.001 1.00 13.86 C ATOM 69 O LEU A 47 -6.600 4.822 4.742 1.00 15.59 O ATOM 70 CB LEU A 47 -9.173 6.407 3.541 1.00 12.60 C ATOM 71 CG LEU A 47 -10.574 6.999 3.584 1.00 13.39 C ATOM 72 CD1 LEU A 47 -10.595 8.310 2.823 1.00 14.05 C ATOM 73 CD2 LEU A 47 -11.624 6.030 3.067 1.00 14.07 C ATOM 0 H LEU A 47 -8.256 5.815 6.108 1.00 12.79 H new ATOM 0 HA LEU A 47 -9.581 4.503 4.167 1.00 12.85 H new ATOM 0 HB2 LEU A 47 -8.552 7.095 3.825 1.00 12.60 H new ATOM 0 HB3 LEU A 47 -8.966 6.203 2.616 1.00 12.60 H new ATOM 0 HG LEU A 47 -10.804 7.171 4.510 1.00 13.39 H new ATOM 0 HD11 LEU A 47 -11.489 8.686 2.851 1.00 14.05 H new ATOM 0 HD12 LEU A 47 -9.970 8.931 3.230 1.00 14.05 H new ATOM 0 HD13 LEU A 47 -10.340 8.153 1.900 1.00 14.05 H new ATOM 0 HD21 LEU A 47 -12.499 6.446 3.112 1.00 14.07 H new ATOM 0 HD22 LEU A 47 -11.424 5.797 2.147 1.00 14.07 H new ATOM 0 HD23 LEU A 47 -11.620 5.227 3.612 1.00 14.07 H new ATOM 74 N GLU A 48 -7.434 3.933 2.868 1.00 13.92 N ATOM 75 CA GLU A 48 -6.146 3.382 2.416 1.00 15.17 C ATOM 76 C GLU A 48 -5.440 4.289 1.415 1.00 13.10 C ATOM 77 O GLU A 48 -6.085 4.953 0.635 1.00 14.58 O ATOM 78 CB GLU A 48 -6.349 2.029 1.740 1.00 18.29 C ATOM 79 CG GLU A 48 -6.856 0.922 2.650 1.00 22.25 C ATOM 80 CD GLU A 48 -7.049 -0.404 1.927 1.00 24.31 C ATOM 81 OE1 GLU A 48 -6.625 -0.543 0.754 1.00 26.17 O ATOM 82 OE2 GLU A 48 -7.649 -1.311 2.551 1.00 30.01 O ATOM 0 H GLU A 48 -8.096 3.773 2.343 1.00 13.92 H new ATOM 0 HA GLU A 48 -5.599 3.299 3.212 1.00 15.17 H new ATOM 0 HB2 GLU A 48 -6.976 2.140 1.008 1.00 18.29 H new ATOM 0 HB3 GLU A 48 -5.506 1.748 1.351 1.00 18.29 H new ATOM 0 HG2 GLU A 48 -6.229 0.798 3.380 1.00 22.25 H new ATOM 0 HG3 GLU A 48 -7.699 1.195 3.044 1.00 22.25 H new ATOM 83 N ASP A 49 -4.110 4.256 1.410 1.00 14.39 N ATOM 84 CA ASP A 49 -3.301 4.789 0.300 1.00 15.00 C ATOM 85 C ASP A 49 -3.210 3.803 -0.876 1.00 16.13 C ATOM 86 O ASP A 49 -3.831 2.731 -0.835 1.00 15.58 O ATOM 87 CB ASP A 49 -1.930 5.265 0.808 1.00 16.32 C ATOM 88 CG ASP A 49 -0.996 4.154 1.212 1.00 15.00 C ATOM 89 OD1 ASP A 49 -1.199 2.982 0.876 1.00 15.84 O ATOM 90 OD2 ASP A 49 -0.015 4.443 1.900 1.00 17.85 O ATOM 0 H ASP A 49 -3.643 3.923 2.051 1.00 14.39 H new ATOM 0 HA ASP A 49 -3.753 5.569 -0.059 1.00 15.00 H new ATOM 0 HB2 ASP A 49 -1.506 5.793 0.114 1.00 16.32 H new ATOM 0 HB3 ASP A 49 -2.065 5.852 1.568 1.00 16.32 H new ATOM 91 N THR A 50 -2.458 4.139 -1.932 1.00 15.83 N ATOM 92 CA THR A 50 -2.418 3.281 -3.128 1.00 16.86 C ATOM 93 C THR A 50 -1.628 1.996 -2.904 1.00 17.02 C ATOM 94 O THR A 50 -1.678 1.097 -3.746 1.00 19.62 O ATOM 95 CB THR A 50 -1.808 4.015 -4.346 1.00 17.65 C ATOM 96 OG1 THR A 50 -0.543 4.587 -3.997 1.00 19.19 O ATOM 97 CG2 THR A 50 -2.653 5.189 -4.776 1.00 19.37 C ATOM 0 H THR A 50 -1.971 4.847 -1.978 1.00 15.83 H new ATOM 0 HA THR A 50 -3.344 3.057 -3.308 1.00 16.86 H new ATOM 0 HB THR A 50 -1.741 3.351 -5.050 1.00 17.65 H new ATOM 0 HG1 THR A 50 -0.666 5.278 -3.535 1.00 19.19 H new ATOM 0 HG21 THR A 50 -2.240 5.623 -5.539 1.00 19.37 H new ATOM 0 HG22 THR A 50 -3.539 4.878 -5.021 1.00 19.37 H new ATOM 0 HG23 THR A 50 -2.724 5.822 -4.044 1.00 19.37 H new ATOM 98 N ASN A 51 -0.908 1.916 -1.791 1.00 17.76 N ATOM 99 CA ASN A 51 -0.242 0.679 -1.379 1.00 17.75 C ATOM 100 C ASN A 51 -1.019 -0.141 -0.351 1.00 18.17 C ATOM 101 O ASN A 51 -0.484 -1.104 0.211 1.00 19.00 O ATOM 102 CB ASN A 51 1.116 1.017 -0.793 1.00 18.59 C ATOM 103 CG ASN A 51 2.072 1.579 -1.820 1.00 20.10 C ATOM 104 OD1 ASN A 51 2.118 1.091 -2.954 1.00 19.69 O ATOM 105 ND2 ASN A 51 2.831 2.612 -1.433 1.00 18.91 N ATOM 0 H ASN A 51 -0.790 2.575 -1.252 1.00 17.76 H new ATOM 0 HA ASN A 51 -0.172 0.134 -2.178 1.00 17.75 H new ATOM 0 HB2 ASN A 51 1.003 1.660 -0.076 1.00 18.59 H new ATOM 0 HB3 ASN A 51 1.502 0.219 -0.400 1.00 18.59 H new ATOM 0 HD21 ASN A 51 3.385 2.969 -1.985 1.00 18.91 H new ATOM 0 HD22 ASN A 51 2.764 2.918 -0.632 1.00 18.91 H new ATOM 106 N GLY A 52 -2.261 0.245 -0.081 1.00 17.75 N ATOM 107 CA GLY A 52 -3.120 -0.474 0.841 1.00 18.01 C ATOM 108 C GLY A 52 -2.923 -0.178 2.309 1.00 18.07 C ATOM 109 O GLY A 52 -3.564 -0.812 3.148 1.00 21.03 O ATOM 0 H GLY A 52 -2.629 0.938 -0.433 1.00 17.75 H new ATOM 0 HA2 GLY A 52 -4.042 -0.279 0.612 1.00 18.01 H new ATOM 0 HA3 GLY A 52 -2.988 -1.425 0.702 1.00 18.01 H new ATOM 110 N LYS A 53 -2.084 0.792 2.656 1.00 17.05 N ATOM 111 CA LYS A 53 -1.867 1.172 4.038 1.00 17.41 C ATOM 112 C LYS A 53 -3.043 2.001 4.560 1.00 18.28 C ATOM 113 O LYS A 53 -3.391 3.038 3.978 1.00 16.77 O ATOM 114 CB LYS A 53 -0.586 1.964 4.167 1.00 16.50 C ATOM 115 CG LYS A 53 -0.388 2.515 5.537 1.00 18.82 C ATOM 116 CD LYS A 53 0.979 3.111 5.749 1.00 20.70 C ATOM 117 CE LYS A 53 1.127 4.465 5.134 1.00 23.22 C ATOM 118 NZ LYS A 53 2.279 5.187 5.738 1.00 24.40 N ATOM 0 H LYS A 53 -1.624 1.248 2.090 1.00 17.05 H new ATOM 0 HA LYS A 53 -1.796 0.363 4.569 1.00 17.41 H new ATOM 0 HB2 LYS A 53 0.166 1.395 3.939 1.00 16.50 H new ATOM 0 HB3 LYS A 53 -0.595 2.693 3.527 1.00 16.50 H new ATOM 0 HG2 LYS A 53 -1.060 3.194 5.706 1.00 18.82 H new ATOM 0 HG3 LYS A 53 -0.530 1.809 6.186 1.00 18.82 H new ATOM 0 HD2 LYS A 53 1.156 3.172 6.701 1.00 20.70 H new ATOM 0 HD3 LYS A 53 1.647 2.516 5.374 1.00 20.70 H new ATOM 0 HE2 LYS A 53 1.258 4.379 4.177 1.00 23.22 H new ATOM 0 HE3 LYS A 53 0.313 4.976 5.264 1.00 23.22 H new ATOM 0 HZ1 LYS A 53 2.338 6.001 5.384 1.00 24.40 H new ATOM 0 HZ2 LYS A 53 2.160 5.254 6.617 1.00 24.40 H new ATOM 0 HZ3 LYS A 53 3.030 4.738 5.574 1.00 24.40 H new ATOM 119 N ARG A 54 -3.656 1.568 5.657 1.00 17.85 N ATOM 120 CA ARG A 54 -4.727 2.317 6.304 1.00 18.61 C ATOM 121 C ARG A 54 -4.190 3.510 7.103 1.00 19.23 C ATOM 122 O ARG A 54 -3.288 3.382 7.894 1.00 19.08 O ATOM 123 CB ARG A 54 -5.542 1.387 7.225 1.00 19.64 C ATOM 124 CG ARG A 54 -6.383 0.354 6.477 1.00 21.40 C ATOM 125 CD ARG A 54 -7.010 -0.751 7.346 1.00 23.25 C ATOM 126 NE ARG A 54 -8.263 -0.325 7.907 0.00 36.11 N ATOM 127 CZ ARG A 54 -8.881 -0.940 8.919 0.00 40.17 C ATOM 128 NH1 ARG A 54 -8.338 -2.003 9.519 0.00 42.06 N ATOM 129 NH2 ARG A 54 -10.064 -0.488 9.333 0.00 41.86 N ATOM 0 H ARG A 54 -3.461 0.828 6.049 1.00 17.85 H new ATOM 0 HA ARG A 54 -5.302 2.667 5.606 1.00 18.61 H new ATOM 0 HB2 ARG A 54 -4.934 0.924 7.822 1.00 19.64 H new ATOM 0 HB3 ARG A 54 -6.127 1.927 7.779 1.00 19.64 H new ATOM 0 HG2 ARG A 54 -7.095 0.818 6.009 1.00 21.40 H new ATOM 0 HG3 ARG A 54 -5.826 -0.065 5.802 1.00 21.40 H new ATOM 0 HD2 ARG A 54 -7.147 -1.548 6.810 1.00 23.25 H new ATOM 0 HD3 ARG A 54 -6.398 -0.991 8.060 1.00 23.25 H new ATOM 0 HE ARG A 54 -8.639 0.371 7.569 0.00 36.11 H new ATOM 0 HH11 ARG A 54 -7.577 -2.303 9.255 0.00 42.06 H new ATOM 0 HH12 ARG A 54 -8.750 -2.387 10.169 0.00 42.06 H new ATOM 0 HH21 ARG A 54 -10.422 0.193 8.949 0.00 41.86 H new ATOM 0 HH22 ARG A 54 -10.469 -0.878 9.984 0.00 41.86 H new ATOM 130 N ILE A 55 -4.754 4.691 6.869 1.00 15.35 N ATOM 131 CA ILE A 55 -4.463 5.934 7.579 1.00 15.72 C ATOM 132 C ILE A 55 -5.730 6.411 8.276 1.00 13.52 C ATOM 133 O ILE A 55 -6.777 6.537 7.611 1.00 13.17 O ATOM 134 CB ILE A 55 -3.986 7.004 6.562 1.00 15.73 C ATOM 135 CG1 ILE A 55 -2.631 6.550 5.976 1.00 18.24 C ATOM 136 CG2 ILE A 55 -3.943 8.371 7.211 1.00 18.40 C ATOM 137 CD1 ILE A 55 -2.052 7.432 4.863 1.00 20.20 C ATOM 0 H ILE A 55 -5.350 4.795 6.258 1.00 15.35 H new ATOM 0 HA ILE A 55 -3.766 5.788 8.238 1.00 15.72 H new ATOM 0 HB ILE A 55 -4.611 7.088 5.825 1.00 15.73 H new ATOM 0 HG12 ILE A 55 -1.985 6.505 6.698 1.00 18.24 H new ATOM 0 HG13 ILE A 55 -2.733 5.649 5.631 1.00 18.24 H new ATOM 0 HG21 ILE A 55 -3.643 9.028 6.563 1.00 18.40 H new ATOM 0 HG22 ILE A 55 -4.830 8.608 7.525 1.00 18.40 H new ATOM 0 HG23 ILE A 55 -3.329 8.354 7.961 1.00 18.40 H new ATOM 0 HD11 ILE A 55 -1.206 7.063 4.565 1.00 20.20 H new ATOM 0 HD12 ILE A 55 -2.672 7.461 4.117 1.00 20.20 H new ATOM 0 HD13 ILE A 55 -1.912 8.330 5.202 1.00 20.20 H new ATOM 138 N GLU A 56 -5.634 6.664 9.579 1.00 12.60 N ATOM 139 CA GLU A 56 -6.758 7.090 10.406 1.00 13.21 C ATOM 140 C GLU A 56 -6.507 8.520 10.868 1.00 13.14 C ATOM 141 O GLU A 56 -5.450 8.841 11.410 1.00 12.86 O ATOM 142 CB GLU A 56 -6.901 6.154 11.617 1.00 14.68 C ATOM 143 CG GLU A 56 -8.044 6.533 12.552 1.00 15.30 C ATOM 144 CD GLU A 56 -8.421 5.451 13.563 1.00 18.74 C ATOM 145 OE1 GLU A 56 -7.747 4.402 13.642 1.00 21.84 O ATOM 146 OE2 GLU A 56 -9.412 5.663 14.283 1.00 21.75 O ATOM 0 H GLU A 56 -4.897 6.591 10.016 1.00 12.60 H new ATOM 0 HA GLU A 56 -7.581 7.053 9.894 1.00 13.21 H new ATOM 0 HB2 GLU A 56 -7.039 5.248 11.301 1.00 14.68 H new ATOM 0 HB3 GLU A 56 -6.070 6.156 12.117 1.00 14.68 H new ATOM 0 HG2 GLU A 56 -7.799 7.339 13.034 1.00 15.30 H new ATOM 0 HG3 GLU A 56 -8.825 6.748 12.019 1.00 15.30 H new ATOM 147 N LEU A 57 -7.478 9.396 10.675 1.00 11.96 N ATOM 148 CA LEU A 57 -7.287 10.803 10.950 1.00 12.50 C ATOM 149 C LEU A 57 -6.860 11.052 12.400 1.00 12.86 C ATOM 150 O LEU A 57 -5.958 11.861 12.663 1.00 13.47 O ATOM 151 CB LEU A 57 -8.562 11.600 10.628 1.00 12.88 C ATOM 152 CG LEU A 57 -8.436 13.112 10.879 1.00 13.56 C ATOM 153 CD1 LEU A 57 -7.353 13.775 10.010 1.00 14.99 C ATOM 154 CD2 LEU A 57 -9.745 13.779 10.637 1.00 14.72 C ATOM 0 H LEU A 57 -8.261 9.192 10.383 1.00 11.96 H new ATOM 0 HA LEU A 57 -6.569 11.110 10.375 1.00 12.50 H new ATOM 0 HB2 LEU A 57 -8.797 11.455 9.698 1.00 12.88 H new ATOM 0 HB3 LEU A 57 -9.293 11.253 11.163 1.00 12.88 H new ATOM 0 HG LEU A 57 -8.168 13.220 11.805 1.00 13.56 H new ATOM 0 HD11 LEU A 57 -7.316 14.724 10.207 1.00 14.99 H new ATOM 0 HD12 LEU A 57 -6.492 13.371 10.202 1.00 14.99 H new ATOM 0 HD13 LEU A 57 -7.568 13.648 9.073 1.00 14.99 H new ATOM 0 HD21 LEU A 57 -9.657 14.732 10.797 1.00 14.72 H new ATOM 0 HD22 LEU A 57 -10.019 13.630 9.719 1.00 14.72 H new ATOM 0 HD23 LEU A 57 -10.412 13.411 11.237 1.00 14.72 H new ATOM 155 N SER A 58 -7.491 10.385 13.352 1.00 13.72 N ATOM 156 CA SER A 58 -7.190 10.624 14.763 1.00 15.82 C ATOM 157 C SER A 58 -5.748 10.239 15.108 1.00 14.53 C ATOM 158 O SER A 58 -5.205 10.722 16.112 1.00 14.72 O ATOM 159 CB SER A 58 -8.174 9.892 15.664 1.00 16.73 C ATOM 160 OG SER A 58 -8.190 8.512 15.427 1.00 17.89 O ATOM 0 H SER A 58 -8.096 9.791 13.208 1.00 13.72 H new ATOM 0 HA SER A 58 -7.285 11.577 14.920 1.00 15.82 H new ATOM 0 HB2 SER A 58 -7.943 10.056 16.592 1.00 16.73 H new ATOM 0 HB3 SER A 58 -9.064 10.252 15.526 1.00 16.73 H new ATOM 0 HG SER A 58 -7.574 8.145 15.865 1.00 17.89 H new ATOM 161 N ASP A 59 -5.121 9.393 14.303 1.00 12.63 N ATOM 162 CA ASP A 59 -3.709 9.045 14.496 1.00 13.35 C ATOM 163 C ASP A 59 -2.759 10.215 14.223 1.00 12.07 C ATOM 164 O ASP A 59 -1.583 10.148 14.565 1.00 12.72 O ATOM 165 CB ASP A 59 -3.273 7.849 13.648 1.00 13.80 C ATOM 166 CG ASP A 59 -3.805 6.530 14.156 1.00 16.86 C ATOM 167 OD1 ASP A 59 -4.185 6.449 15.345 1.00 18.50 O ATOM 168 OD2 ASP A 59 -3.816 5.551 13.403 1.00 19.54 O ATOM 0 H ASP A 59 -5.494 9.004 13.633 1.00 12.63 H new ATOM 0 HA ASP A 59 -3.647 8.807 15.434 1.00 13.35 H new ATOM 0 HB2 ASP A 59 -3.573 7.981 12.735 1.00 13.80 H new ATOM 0 HB3 ASP A 59 -2.304 7.813 13.626 1.00 13.80 H new ATOM 169 N LEU A 60 -3.277 11.250 13.581 1.00 11.99 N ATOM 170 CA LEU A 60 -2.516 12.464 13.292 1.00 11.79 C ATOM 171 C LEU A 60 -2.762 13.572 14.305 1.00 12.21 C ATOM 172 O LEU A 60 -2.271 14.703 14.142 1.00 12.51 O ATOM 173 CB LEU A 60 -2.841 12.969 11.881 1.00 12.65 C ATOM 174 CG LEU A 60 -2.383 12.030 10.772 1.00 15.49 C ATOM 175 CD1 LEU A 60 -2.993 12.417 9.447 1.00 15.49 C ATOM 176 CD2 LEU A 60 -0.879 12.017 10.678 1.00 18.25 C ATOM 0 H LEU A 60 -4.088 11.272 13.296 1.00 11.99 H new ATOM 0 HA LEU A 60 -1.578 12.226 13.351 1.00 11.79 H new ATOM 0 HB2 LEU A 60 -3.799 13.101 11.806 1.00 12.65 H new ATOM 0 HB3 LEU A 60 -2.424 13.835 11.753 1.00 12.65 H new ATOM 0 HG LEU A 60 -2.687 11.135 10.992 1.00 15.49 H new ATOM 0 HD11 LEU A 60 -2.687 11.806 8.759 1.00 15.49 H new ATOM 0 HD12 LEU A 60 -3.960 12.374 9.511 1.00 15.49 H new ATOM 0 HD13 LEU A 60 -2.725 13.321 9.219 1.00 15.49 H new ATOM 0 HD21 LEU A 60 -0.604 11.415 9.968 1.00 18.25 H new ATOM 0 HD22 LEU A 60 -0.559 12.912 10.485 1.00 18.25 H new ATOM 0 HD23 LEU A 60 -0.505 11.715 11.520 1.00 18.25 H new ATOM 177 N LYS A 61 -3.489 13.294 15.386 1.00 12.89 N ATOM 178 CA LYS A 61 -3.629 14.283 16.445 1.00 15.26 C ATOM 179 C LYS A 61 -2.231 14.694 16.947 1.00 13.40 C ATOM 180 O LYS A 61 -1.281 13.903 16.924 1.00 12.95 O ATOM 181 CB ALYS A 61 -4.506 13.780 17.605 0.50 17.12 C ATOM 182 CB BLYS A 61 -4.541 13.778 17.567 0.50 17.31 C ATOM 183 CG ALYS A 61 -5.871 14.446 17.667 0.50 19.73 C ATOM 184 CG BLYS A 61 -5.998 13.723 17.134 0.50 19.87 C ATOM 185 CD ALYS A 61 -6.798 13.797 18.709 0.50 20.85 C ATOM 186 CD BLYS A 61 -6.941 13.274 18.254 0.50 21.98 C ATOM 187 CE ALYS A 61 -8.214 13.493 18.173 0.50 21.59 C ATOM 188 CE BLYS A 61 -7.984 14.336 18.586 0.50 22.64 C ATOM 189 NZ ALYS A 61 -8.422 13.686 16.715 0.50 23.63 N ATOM 190 NZ BLYS A 61 -8.737 13.984 19.825 0.50 24.42 N ATOM 0 H LYS A 61 -3.901 12.552 15.522 1.00 12.89 H new ATOM 0 HA LYS A 61 -4.083 15.057 16.076 1.00 15.26 H new ATOM 0 HB2ALYS A 61 -4.626 12.821 17.518 0.50 17.31 H new ATOM 0 HB2BLYS A 61 -4.253 12.894 17.844 0.50 17.31 H new ATOM 0 HB3ALYS A 61 -4.041 13.933 18.442 0.50 17.31 H new ATOM 0 HB3BLYS A 61 -4.455 14.359 18.339 0.50 17.31 H new ATOM 0 HG2ALYS A 61 -5.759 15.386 17.879 0.50 19.87 H new ATOM 0 HG2BLYS A 61 -6.270 14.600 16.822 0.50 19.87 H new ATOM 0 HG3ALYS A 61 -6.290 14.400 16.793 0.50 19.87 H new ATOM 0 HG3BLYS A 61 -6.084 13.115 16.383 0.50 19.87 H new ATOM 0 HD2ALYS A 61 -6.394 12.972 19.021 0.50 21.98 H new ATOM 0 HD2BLYS A 61 -7.388 12.455 17.990 0.50 21.98 H new ATOM 0 HD3ALYS A 61 -6.870 14.385 19.477 0.50 21.98 H new ATOM 0 HD3BLYS A 61 -6.424 13.071 19.049 0.50 21.98 H new ATOM 0 HE2ALYS A 61 -8.432 12.574 18.392 0.50 22.64 H new ATOM 0 HE2BLYS A 61 -7.549 15.195 18.702 0.50 22.64 H new ATOM 0 HE3ALYS A 61 -8.846 14.055 18.648 0.50 22.64 H new ATOM 0 HE3BLYS A 61 -8.602 14.429 17.844 0.50 22.64 H new ATOM 0 HZ1ALYS A 61 -9.193 13.313 16.473 0.50 24.42 H new ATOM 0 HZ1BLYS A 61 -9.338 14.617 19.997 0.50 24.42 H new ATOM 0 HZ2ALYS A 61 -8.443 14.556 16.531 0.50 24.42 H new ATOM 0 HZ2BLYS A 61 -9.152 13.205 19.709 0.50 24.42 H new ATOM 0 HZ3ALYS A 61 -7.755 13.304 16.267 0.50 24.42 H new ATOM 0 HZ3BLYS A 61 -8.171 13.919 20.509 0.50 24.42 H new ATOM 191 N GLY A 62 -2.096 15.960 17.322 1.00 12.35 N ATOM 192 CA GLY A 62 -0.826 16.532 17.726 1.00 12.25 C ATOM 193 C GLY A 62 -0.044 17.187 16.605 1.00 11.95 C ATOM 194 O GLY A 62 0.885 17.945 16.862 1.00 12.58 O ATOM 0 H GLY A 62 -2.751 16.517 17.348 1.00 12.35 H new ATOM 0 HA2 GLY A 62 -0.987 17.191 18.420 1.00 12.25 H new ATOM 0 HA3 GLY A 62 -0.281 15.833 18.120 1.00 12.25 H new ATOM 195 N LYS A 63 -0.425 16.907 15.362 1.00 12.13 N ATOM 196 CA LYS A 63 0.090 17.608 14.195 1.00 11.81 C ATOM 197 C LYS A 63 -1.065 18.396 13.593 1.00 11.07 C ATOM 198 O LYS A 63 -2.232 18.061 13.759 1.00 11.70 O ATOM 199 CB LYS A 63 0.608 16.629 13.150 1.00 12.85 C ATOM 200 CG ALYS A 63 1.906 15.920 13.506 0.50 14.55 C ATOM 201 CG BLYS A 63 1.945 15.971 13.508 0.50 14.11 C ATOM 202 CD ALYS A 63 2.023 14.616 12.717 0.50 15.44 C ATOM 203 CD BLYS A 63 2.571 15.299 12.286 0.50 14.38 C ATOM 204 CE ALYS A 63 1.401 13.474 13.559 0.00 16.81 C ATOM 205 CE BLYS A 63 3.885 14.669 12.573 0.00 15.99 C ATOM 206 NZ ALYS A 63 2.210 12.721 14.565 0.00 8.67 N ATOM 207 NZ BLYS A 63 4.565 14.223 11.315 0.00 17.64 N ATOM 0 H LYS A 63 -0.999 16.295 15.172 1.00 12.13 H new ATOM 0 HA LYS A 63 0.824 18.184 14.461 1.00 11.81 H new ATOM 0 HB2ALYS A 63 -0.075 15.959 12.990 0.50 12.85 H new ATOM 0 HB2BLYS A 63 -0.056 15.935 13.016 0.50 12.85 H new ATOM 0 HB3ALYS A 63 0.737 17.108 12.316 0.50 12.85 H new ATOM 0 HB3BLYS A 63 0.705 17.096 12.305 0.50 12.85 H new ATOM 0 HG2ALYS A 63 2.662 16.495 13.309 0.50 14.11 H new ATOM 0 HG2BLYS A 63 2.554 16.639 13.861 0.50 14.11 H new ATOM 0 HG3ALYS A 63 1.931 15.734 14.458 0.50 14.11 H new ATOM 0 HG3BLYS A 63 1.808 15.314 14.208 0.50 14.11 H new ATOM 0 HD2ALYS A 63 1.565 14.695 11.866 0.50 14.38 H new ATOM 0 HD2BLYS A 63 1.962 14.624 11.948 0.50 14.38 H new ATOM 0 HD3ALYS A 63 2.953 14.423 12.522 0.50 14.38 H new ATOM 0 HD3BLYS A 63 2.682 15.958 11.583 0.50 14.38 H new ATOM 0 HE2ALYS A 63 0.643 13.852 14.032 0.00 15.99 H new ATOM 0 HE2BLYS A 63 4.452 15.300 13.043 0.00 15.99 H new ATOM 0 HE3ALYS A 63 1.049 12.821 12.934 0.00 15.99 H new ATOM 0 HE3BLYS A 63 3.759 13.908 13.162 0.00 15.99 H new ATOM 0 HZ1ALYS A 63 1.700 12.105 14.955 0.00 17.64 H new ATOM 0 HZ1BLYS A 63 5.348 13.850 11.516 0.00 17.64 H new ATOM 0 HZ2ALYS A 63 2.895 12.325 14.158 0.00 17.64 H new ATOM 0 HZ2BLYS A 63 4.053 13.628 10.895 0.00 17.64 H new ATOM 0 HZ3ALYS A 63 2.517 13.285 15.181 0.00 17.64 H new ATOM 0 HZ3BLYS A 63 4.699 14.925 10.785 0.00 17.64 H new ATOM 208 N GLY A 64 -0.745 19.449 12.854 1.00 10.32 N ATOM 209 CA GLY A 64 -1.737 20.093 12.011 1.00 10.47 C ATOM 210 C GLY A 64 -1.998 19.208 10.804 1.00 11.03 C ATOM 211 O GLY A 64 -1.094 18.516 10.348 1.00 11.53 O ATOM 0 H GLY A 64 0.038 19.804 12.827 1.00 10.32 H new ATOM 0 HA2 GLY A 64 -2.558 20.236 12.507 1.00 10.47 H new ATOM 0 HA3 GLY A 64 -1.422 20.965 11.727 1.00 10.47 H new ATOM 212 N VAL A 65 -3.244 19.149 10.355 1.00 9.65 N ATOM 213 CA VAL A 65 -3.594 18.379 9.167 1.00 10.01 C ATOM 214 C VAL A 65 -4.255 19.270 8.128 1.00 10.03 C ATOM 215 O VAL A 65 -5.269 19.903 8.382 1.00 9.84 O ATOM 216 CB VAL A 65 -4.498 17.190 9.512 1.00 11.01 C ATOM 217 CG1 VAL A 65 -4.854 16.362 8.266 1.00 11.92 C ATOM 218 CG2 VAL A 65 -3.832 16.284 10.558 1.00 12.76 C ATOM 0 H VAL A 65 -3.908 19.551 10.726 1.00 9.65 H new ATOM 0 HA VAL A 65 -2.772 18.024 8.794 1.00 10.01 H new ATOM 0 HB VAL A 65 -5.318 17.555 9.879 1.00 11.01 H new ATOM 0 HG11 VAL A 65 -5.425 15.621 8.522 1.00 11.92 H new ATOM 0 HG12 VAL A 65 -5.320 16.923 7.627 1.00 11.92 H new ATOM 0 HG13 VAL A 65 -4.041 16.019 7.862 1.00 11.92 H new ATOM 0 HG21 VAL A 65 -4.419 15.539 10.762 1.00 12.76 H new ATOM 0 HG22 VAL A 65 -2.993 15.947 10.207 1.00 12.76 H new ATOM 0 HG23 VAL A 65 -3.663 16.793 11.366 1.00 12.76 H new ATOM 219 N PHE A 66 -3.665 19.284 6.936 1.00 9.27 N ATOM 220 CA PHE A 66 -4.176 19.927 5.747 1.00 9.12 C ATOM 221 C PHE A 66 -4.913 18.854 4.934 1.00 8.53 C ATOM 222 O PHE A 66 -4.287 18.033 4.277 1.00 9.19 O ATOM 223 CB PHE A 66 -2.952 20.491 5.008 1.00 9.42 C ATOM 224 CG PHE A 66 -3.243 21.396 3.832 1.00 9.97 C ATOM 225 CD1 PHE A 66 -3.134 22.760 3.957 1.00 9.66 C ATOM 226 CD2 PHE A 66 -3.516 20.868 2.575 1.00 10.17 C ATOM 227 CE1 PHE A 66 -3.329 23.610 2.853 1.00 10.86 C ATOM 228 CE2 PHE A 66 -3.734 21.710 1.473 1.00 11.01 C ATOM 229 CZ PHE A 66 -3.619 23.092 1.626 1.00 10.77 C ATOM 0 H PHE A 66 -2.911 18.893 6.799 1.00 9.27 H new ATOM 0 HA PHE A 66 -4.799 20.650 5.922 1.00 9.12 H new ATOM 0 HB2 PHE A 66 -2.411 20.983 5.645 1.00 9.42 H new ATOM 0 HB3 PHE A 66 -2.415 19.747 4.695 1.00 9.42 H new ATOM 0 HD1 PHE A 66 -2.928 23.128 4.786 1.00 9.66 H new ATOM 0 HD2 PHE A 66 -3.555 19.946 2.463 1.00 10.17 H new ATOM 0 HE1 PHE A 66 -3.260 24.531 2.961 1.00 10.86 H new ATOM 0 HE2 PHE A 66 -3.954 21.348 0.645 1.00 11.01 H new ATOM 0 HZ PHE A 66 -3.739 23.656 0.896 1.00 10.77 H new ATOM 230 N LEU A 67 -6.230 18.810 5.075 1.00 8.95 N ATOM 231 CA LEU A 67 -7.089 17.754 4.547 1.00 9.32 C ATOM 232 C LEU A 67 -7.722 18.229 3.259 1.00 9.16 C ATOM 233 O LEU A 67 -8.619 19.077 3.294 1.00 9.79 O ATOM 234 CB LEU A 67 -8.152 17.352 5.561 1.00 10.12 C ATOM 235 CG LEU A 67 -9.070 16.204 5.175 1.00 11.60 C ATOM 236 CD1 LEU A 67 -8.330 14.890 5.156 1.00 12.07 C ATOM 237 CD2 LEU A 67 -10.259 16.118 6.120 1.00 11.86 C ATOM 0 H LEU A 67 -6.668 19.418 5.497 1.00 8.95 H new ATOM 0 HA LEU A 67 -6.551 16.967 4.369 1.00 9.32 H new ATOM 0 HB2 LEU A 67 -7.706 17.116 6.389 1.00 10.12 H new ATOM 0 HB3 LEU A 67 -8.702 18.129 5.746 1.00 10.12 H new ATOM 0 HG LEU A 67 -9.395 16.383 4.279 1.00 11.60 H new ATOM 0 HD11 LEU A 67 -8.940 14.178 4.907 1.00 12.07 H new ATOM 0 HD12 LEU A 67 -7.606 14.935 4.512 1.00 12.07 H new ATOM 0 HD13 LEU A 67 -7.967 14.710 6.037 1.00 12.07 H new ATOM 0 HD21 LEU A 67 -10.830 15.380 5.855 1.00 11.86 H new ATOM 0 HD22 LEU A 67 -9.943 15.973 7.026 1.00 11.86 H new ATOM 0 HD23 LEU A 67 -10.763 16.946 6.082 1.00 11.86 H new ATOM 238 N ASN A 68 -7.280 17.729 2.114 1.00 8.96 N ATOM 239 CA ASN A 68 -7.652 18.251 0.797 1.00 9.42 C ATOM 240 C ASN A 68 -8.405 17.215 -0.003 1.00 9.80 C ATOM 241 O ASN A 68 -7.866 16.106 -0.215 1.00 11.51 O ATOM 242 CB ASN A 68 -6.357 18.650 0.064 1.00 10.28 C ATOM 243 CG ASN A 68 -6.596 19.228 -1.310 1.00 12.03 C ATOM 244 OD1 ASN A 68 -7.150 20.353 -1.470 1.00 14.64 O ATOM 245 ND2 ASN A 68 -6.163 18.499 -2.320 1.00 10.10 N ATOM 0 H ASN A 68 -6.741 17.060 2.075 1.00 8.96 H new ATOM 0 HA ASN A 68 -8.236 19.019 0.901 1.00 9.42 H new ATOM 0 HB2 ASN A 68 -5.877 19.299 0.601 1.00 10.28 H new ATOM 0 HB3 ASN A 68 -5.786 17.870 -0.016 1.00 10.28 H new ATOM 0 HD21 ASN A 68 -6.253 18.785 -3.126 1.00 10.10 H new ATOM 0 HD22 ASN A 68 -5.791 17.738 -2.172 1.00 10.10 H new ATOM 246 N PHE A 69 -9.611 17.516 -0.443 1.00 9.36 N ATOM 247 CA PHE A 69 -10.404 16.647 -1.306 1.00 9.15 C ATOM 248 C PHE A 69 -10.207 17.021 -2.759 1.00 9.54 C ATOM 249 O PHE A 69 -10.315 18.184 -3.118 1.00 10.13 O ATOM 250 CB PHE A 69 -11.894 16.736 -0.936 1.00 10.02 C ATOM 251 CG PHE A 69 -12.219 16.148 0.403 1.00 9.37 C ATOM 252 CD1 PHE A 69 -11.998 16.852 1.580 1.00 10.03 C ATOM 253 CD2 PHE A 69 -12.753 14.855 0.495 1.00 11.26 C ATOM 254 CE1 PHE A 69 -12.270 16.260 2.832 1.00 10.62 C ATOM 255 CE2 PHE A 69 -13.035 14.292 1.702 1.00 11.56 C ATOM 256 CZ PHE A 69 -12.811 14.989 2.882 1.00 11.74 C ATOM 0 H PHE A 69 -10.008 18.253 -0.245 1.00 9.36 H new ATOM 0 HA PHE A 69 -10.105 15.734 -1.176 1.00 9.15 H new ATOM 0 HB2 PHE A 69 -12.166 17.667 -0.946 1.00 10.02 H new ATOM 0 HB3 PHE A 69 -12.415 16.281 -1.615 1.00 10.02 H new ATOM 0 HD1 PHE A 69 -11.668 17.721 1.543 1.00 10.03 H new ATOM 0 HD2 PHE A 69 -12.918 14.373 -0.283 1.00 11.26 H new ATOM 0 HE1 PHE A 69 -12.086 16.722 3.618 1.00 10.62 H new ATOM 0 HE2 PHE A 69 -13.382 13.430 1.737 1.00 11.56 H new ATOM 0 HZ PHE A 69 -13.024 14.603 3.701 1.00 11.74 H new ATOM 257 N TRP A 70 -9.944 16.012 -3.592 1.00 9.30 N ATOM 258 CA TRP A 70 -9.535 16.244 -4.973 1.00 8.64 C ATOM 259 C TRP A 70 -9.918 15.096 -5.906 1.00 9.42 C ATOM 260 O TRP A 70 -10.212 14.001 -5.457 1.00 9.71 O ATOM 261 CB TRP A 70 -8.015 16.467 -5.029 1.00 9.44 C ATOM 262 CG TRP A 70 -7.212 15.229 -4.705 1.00 8.59 C ATOM 263 CD1 TRP A 70 -6.944 14.701 -3.488 1.00 8.95 C ATOM 264 CD2 TRP A 70 -6.628 14.336 -5.653 1.00 8.19 C ATOM 265 NE1 TRP A 70 -6.243 13.526 -3.615 1.00 8.87 N ATOM 266 CE2 TRP A 70 -6.017 13.294 -4.945 1.00 9.54 C ATOM 267 CE3 TRP A 70 -6.530 14.341 -7.052 1.00 9.29 C ATOM 268 CZ2 TRP A 70 -5.320 12.263 -5.589 1.00 9.52 C ATOM 269 CZ3 TRP A 70 -5.856 13.319 -7.674 1.00 9.98 C ATOM 270 CH2 TRP A 70 -5.270 12.297 -6.953 1.00 9.63 C ATOM 0 H TRP A 70 -9.998 15.182 -3.372 1.00 9.30 H new ATOM 0 HA TRP A 70 -10.007 17.033 -5.282 1.00 8.64 H new ATOM 0 HB2 TRP A 70 -7.773 16.778 -5.916 1.00 9.44 H new ATOM 0 HB3 TRP A 70 -7.775 17.171 -4.407 1.00 9.44 H new ATOM 0 HD1 TRP A 70 -7.199 15.081 -2.678 1.00 8.95 H new ATOM 0 HE1 TRP A 70 -5.989 13.021 -2.967 1.00 8.87 H new ATOM 0 HE3 TRP A 70 -6.915 15.025 -7.550 1.00 9.29 H new ATOM 0 HZ2 TRP A 70 -4.908 11.583 -5.107 1.00 9.52 H new ATOM 0 HZ3 TRP A 70 -5.793 13.315 -8.602 1.00 9.98 H new ATOM 0 HH2 TRP A 70 -4.831 11.615 -7.408 1.00 9.63 H new ATOM 271 N GLY A 71 -9.840 15.364 -7.200 1.00 9.45 N ATOM 272 CA GLY A 71 -10.007 14.349 -8.240 1.00 9.27 C ATOM 273 C GLY A 71 -9.038 14.602 -9.384 1.00 10.03 C ATOM 274 O GLY A 71 -8.610 15.742 -9.594 1.00 10.67 O ATOM 0 H GLY A 71 -9.686 16.152 -7.508 1.00 9.45 H new ATOM 0 HA2 GLY A 71 -9.854 13.467 -7.867 1.00 9.27 H new ATOM 0 HA3 GLY A 71 -10.919 14.363 -8.571 1.00 9.27 H new ATOM 275 N THR A 72 -8.712 13.565 -10.160 1.00 10.64 N ATOM 276 CA THR A 72 -7.646 13.682 -11.179 1.00 11.68 C ATOM 277 C THR A 72 -8.055 14.528 -12.373 1.00 12.28 C ATOM 278 O THR A 72 -7.189 14.993 -13.112 1.00 14.18 O ATOM 279 CB THR A 72 -7.166 12.331 -11.778 1.00 12.35 C ATOM 280 OG1 THR A 72 -8.238 11.747 -12.546 1.00 13.20 O ATOM 281 CG2 THR A 72 -6.755 11.333 -10.763 1.00 12.38 C ATOM 0 H THR A 72 -9.087 12.792 -10.119 1.00 10.64 H new ATOM 0 HA THR A 72 -6.930 14.094 -10.671 1.00 11.68 H new ATOM 0 HB THR A 72 -6.388 12.541 -12.318 1.00 12.35 H new ATOM 0 HG1 THR A 72 -8.871 11.543 -12.033 1.00 13.20 H new ATOM 0 HG21 THR A 72 -6.469 10.519 -11.206 1.00 12.38 H new ATOM 0 HG22 THR A 72 -6.022 11.689 -10.237 1.00 12.38 H new ATOM 0 HG23 THR A 72 -7.505 11.137 -10.180 1.00 12.38 H new ATOM 282 N TRP A 73 -9.354 14.667 -12.578 1.00 12.19 N ATOM 283 CA ATRP A 73 -9.894 15.389 -13.716 0.50 13.88 C ATOM 284 CA BTRP A 73 -9.921 15.418 -13.714 0.50 12.87 C ATOM 285 C TRP A 73 -10.020 16.897 -13.427 1.00 14.42 C ATOM 286 O TRP A 73 -10.271 17.684 -14.344 1.00 15.89 O ATOM 287 CB ATRP A 73 -11.250 14.757 -14.087 0.50 14.94 C ATOM 288 CB BTRP A 73 -11.344 14.932 -14.082 0.50 12.90 C ATOM 289 CG ATRP A 73 -12.105 14.485 -12.892 0.50 14.23 C ATOM 290 CG BTRP A 73 -12.353 15.234 -13.035 0.50 9.97 C ATOM 291 CD1ATRP A 73 -12.170 13.329 -12.148 0.50 14.73 C ATOM 292 CD1BTRP A 73 -13.077 16.388 -12.864 0.50 10.13 C ATOM 293 CD2ATRP A 73 -12.976 15.410 -12.263 0.50 13.92 C ATOM 294 CD2BTRP A 73 -12.728 14.374 -11.968 0.50 8.35 C ATOM 295 NE1ATRP A 73 -13.044 13.496 -11.101 0.50 14.39 N ATOM 296 NE1BTRP A 73 -13.873 16.285 -11.746 0.50 10.95 N ATOM 297 CE2ATRP A 73 -13.559 14.765 -11.155 0.50 14.79 C ATOM 298 CE2BTRP A 73 -13.675 15.053 -11.181 0.50 10.13 C ATOM 299 CE3ATRP A 73 -13.345 16.733 -12.539 0.50 15.41 C ATOM 300 CE3BTRP A 73 -12.355 13.075 -11.590 0.50 8.95 C ATOM 301 CZ2ATRP A 73 -14.482 15.397 -10.330 0.50 15.49 C ATOM 302 CZ2BTRP A 73 -14.242 14.486 -10.055 0.50 10.59 C ATOM 303 CZ3ATRP A 73 -14.253 17.358 -11.718 0.50 16.53 C ATOM 304 CZ3BTRP A 73 -12.919 12.531 -10.464 0.50 11.44 C ATOM 305 CH2ATRP A 73 -14.814 16.690 -10.627 0.50 16.05 C ATOM 306 CH2BTRP A 73 -13.867 13.220 -9.726 0.50 11.36 C ATOM 0 H ATRP A 73 -9.954 14.341 -12.055 0.50 12.19 H new ATOM 0 H BTRP A 73 -9.950 14.327 -12.059 0.50 12.19 H new ATOM 0 HA ATRP A 73 -9.287 15.315 -14.469 0.50 12.87 H new ATOM 0 HA BTRP A 73 -9.309 15.259 -14.450 0.50 12.87 H new ATOM 0 HB2ATRP A 73 -11.724 15.349 -14.691 0.50 12.90 H new ATOM 0 HB2BTRP A 73 -11.616 15.348 -14.915 0.50 12.90 H new ATOM 0 HB3ATRP A 73 -11.096 13.927 -14.566 0.50 12.90 H new ATOM 0 HB3BTRP A 73 -11.323 13.975 -14.236 0.50 12.90 H new ATOM 0 HD1ATRP A 73 -11.693 12.551 -12.327 0.50 10.13 H new ATOM 0 HD1BTRP A 73 -13.036 17.131 -13.422 0.50 10.13 H new ATOM 0 HE1ATRP A 73 -13.236 12.902 -10.509 0.50 10.95 H new ATOM 0 HE1BTRP A 73 -14.406 16.893 -11.451 0.50 10.95 H new ATOM 0 HE3ATRP A 73 -12.981 17.182 -13.267 0.50 8.95 H new ATOM 0 HE3BTRP A 73 -11.738 12.593 -12.092 0.50 8.95 H new ATOM 0 HZ2ATRP A 73 -14.860 14.957 -9.603 0.50 10.59 H new ATOM 0 HZ2BTRP A 73 -14.859 14.954 -9.540 0.50 10.59 H new ATOM 0 HZ3ATRP A 73 -14.497 18.238 -11.891 0.50 11.44 H new ATOM 0 HZ3BTRP A 73 -12.659 11.681 -10.190 0.50 11.44 H new ATOM 0 HH2ATRP A 73 -15.428 17.135 -10.089 0.50 11.36 H new ATOM 0 HH2BTRP A 73 -14.256 12.808 -8.989 0.50 11.36 H new ATOM 307 N CYS A 74 -9.854 17.275 -12.157 1.00 13.80 N ATOM 308 CA CYS A 74 -10.180 18.605 -11.660 1.00 15.24 C ATOM 309 C CYS A 74 -9.063 19.611 -11.905 1.00 15.32 C ATOM 310 O CYS A 74 -8.008 19.525 -11.299 1.00 14.48 O ATOM 311 CB ACYS A 74 -10.498 18.497 -10.169 0.70 16.11 C ATOM 312 CB BCYS A 74 -10.453 18.560 -10.163 0.30 15.40 C ATOM 313 SG ACYS A 74 -10.960 20.029 -9.343 0.70 20.79 S ATOM 314 SG BCYS A 74 -11.676 17.355 -9.657 0.30 17.12 S ATOM 0 H CYS A 74 -9.542 16.751 -11.551 1.00 13.80 H new ATOM 0 HA CYS A 74 -10.950 18.937 -12.147 1.00 15.24 H new ATOM 0 HB2ACYS A 74 -11.221 17.860 -10.057 0.70 15.40 H new ATOM 0 HB2BCYS A 74 -9.621 18.371 -9.701 0.30 15.40 H new ATOM 0 HB3ACYS A 74 -9.722 18.129 -9.718 0.70 15.40 H new ATOM 0 HB3BCYS A 74 -10.745 19.439 -9.874 0.30 15.40 H new ATOM 0 HG ACYS A 74 -10.121 20.317 -8.535 0.70 17.12 H new ATOM 0 HG BCYS A 74 -12.257 16.944 -10.623 0.30 17.12 H new ATOM 315 N GLU A 75 -9.306 20.569 -12.795 1.00 15.07 N ATOM 316 CA GLU A 75 -8.311 21.575 -13.140 1.00 15.43 C ATOM 317 C GLU A 75 -7.877 22.415 -11.945 1.00 14.24 C ATOM 318 O GLU A 75 -6.676 22.579 -11.759 1.00 13.48 O ATOM 319 CB AGLU A 75 -8.807 22.455 -14.298 1.00 17.92 C ATOM 320 CB BGLU A 75 -8.752 22.451 -14.307 0.00 17.52 C ATOM 321 CG AGLU A 75 -8.856 21.714 -15.624 1.00 21.86 C ATOM 322 CG BGLU A 75 -7.613 23.307 -14.869 0.00 19.32 C ATOM 323 CD AGLU A 75 -7.489 21.262 -16.132 1.00 22.99 C ATOM 324 CD BGLU A 75 -6.598 22.521 -15.697 0.00 22.45 C ATOM 325 OE1AGLU A 75 -6.468 21.955 -15.898 1.00 27.09 O ATOM 326 OE1BGLU A 75 -6.893 21.379 -16.102 0.00 22.35 O ATOM 327 OE2AGLU A 75 -7.424 20.195 -16.775 1.00 26.80 O ATOM 328 OE2BGLU A 75 -5.501 23.063 -15.964 0.00 25.56 O ATOM 0 H GLU A 75 -10.052 20.653 -13.215 1.00 15.07 H new ATOM 0 HA GLU A 75 -7.519 21.099 -13.434 1.00 15.43 H new ATOM 0 HB2AGLU A 75 -9.692 22.790 -14.087 1.00 17.52 H new ATOM 0 HB2BGLU A 75 -9.107 21.888 -15.013 0.00 17.52 H new ATOM 0 HB3AGLU A 75 -8.225 23.226 -14.385 1.00 17.52 H new ATOM 0 HB3BGLU A 75 -9.474 23.030 -14.017 0.00 17.52 H new ATOM 0 HG2AGLU A 75 -9.429 20.937 -15.529 1.00 19.32 H new ATOM 0 HG2BGLU A 75 -7.991 24.011 -15.420 0.00 19.32 H new ATOM 0 HG3AGLU A 75 -9.265 22.288 -16.290 1.00 19.32 H new ATOM 0 HG3BGLU A 75 -7.152 23.739 -14.133 0.00 19.32 H new ATOM 329 N PRO A 76 -8.802 22.942 -11.137 1.00 13.85 N ATOM 330 CA PRO A 76 -8.368 23.687 -9.942 1.00 14.91 C ATOM 331 C PRO A 76 -7.560 22.843 -8.963 1.00 15.08 C ATOM 332 O PRO A 76 -6.741 23.390 -8.223 1.00 15.61 O ATOM 333 CB PRO A 76 -9.668 24.231 -9.331 1.00 15.81 C ATOM 334 CG PRO A 76 -10.799 23.587 -10.076 1.00 17.24 C ATOM 335 CD PRO A 76 -10.263 23.005 -11.336 1.00 15.39 C ATOM 0 HA PRO A 76 -7.751 24.399 -10.173 1.00 14.91 H new ATOM 0 HB2 PRO A 76 -9.717 24.023 -8.385 1.00 15.81 H new ATOM 0 HB3 PRO A 76 -9.708 25.197 -9.412 1.00 15.81 H new ATOM 0 HG2 PRO A 76 -11.210 22.896 -9.533 1.00 17.24 H new ATOM 0 HG3 PRO A 76 -11.488 24.240 -10.273 1.00 17.24 H new ATOM 0 HD2 PRO A 76 -10.633 22.124 -11.501 1.00 15.39 H new ATOM 0 HD3 PRO A 76 -10.490 23.556 -12.102 1.00 15.39 H new ATOM 336 N CYS A 77 -7.764 21.525 -8.958 1.00 14.70 N ATOM 337 CA CYS A 77 -6.926 20.647 -8.143 1.00 15.80 C ATOM 338 C CYS A 77 -5.534 20.508 -8.734 1.00 14.87 C ATOM 339 O CYS A 77 -4.545 20.620 -8.029 1.00 15.83 O ATOM 340 CB CYS A 77 -7.536 19.242 -7.992 1.00 15.55 C ATOM 341 SG CYS A 77 -9.113 19.181 -7.145 1.00 17.17 S ATOM 0 H CYS A 77 -8.374 21.124 -9.413 1.00 14.70 H new ATOM 0 HA CYS A 77 -6.871 21.063 -7.269 1.00 15.80 H new ATOM 0 HB2 CYS A 77 -7.644 18.856 -8.875 1.00 15.55 H new ATOM 0 HB3 CYS A 77 -6.906 18.681 -7.513 1.00 15.55 H new ATOM 0 HG CYS A 77 -9.987 18.976 -7.941 1.00 17.17 H new ATOM 342 N LYS A 78 -5.442 20.250 -10.041 1.00 14.44 N ATOM 343 CA LYS A 78 -4.154 20.147 -10.726 1.00 15.22 C ATOM 344 C LYS A 78 -3.291 21.399 -10.553 1.00 14.93 C ATOM 345 O LYS A 78 -2.067 21.306 -10.453 1.00 16.55 O ATOM 346 CB LYS A 78 -4.351 19.939 -12.229 1.00 15.77 C ATOM 347 CG LYS A 78 -4.849 18.558 -12.644 1.00 17.67 C ATOM 348 CD LYS A 78 -5.096 18.549 -14.158 1.00 19.81 C ATOM 349 CE LYS A 78 -5.987 17.427 -14.595 1.00 22.09 C ATOM 350 NZ LYS A 78 -6.128 17.412 -16.079 1.00 22.80 N ATOM 0 H LYS A 78 -6.123 20.130 -10.552 1.00 14.44 H new ATOM 0 HA LYS A 78 -3.705 19.388 -10.322 1.00 15.22 H new ATOM 0 HB2 LYS A 78 -4.981 20.603 -12.551 1.00 15.77 H new ATOM 0 HB3 LYS A 78 -3.507 20.109 -12.676 1.00 15.77 H new ATOM 0 HG2 LYS A 78 -4.196 17.881 -12.407 1.00 17.67 H new ATOM 0 HG3 LYS A 78 -5.667 18.341 -12.170 1.00 17.67 H new ATOM 0 HD2 LYS A 78 -5.494 19.394 -14.421 1.00 19.81 H new ATOM 0 HD3 LYS A 78 -4.246 18.480 -14.620 1.00 19.81 H new ATOM 0 HE2 LYS A 78 -5.622 16.581 -14.292 1.00 22.09 H new ATOM 0 HE3 LYS A 78 -6.860 17.523 -14.184 1.00 22.09 H new ATOM 0 HZ1 LYS A 78 -6.976 17.571 -16.299 1.00 22.80 H new ATOM 0 HZ2 LYS A 78 -5.607 18.041 -16.433 1.00 22.80 H new ATOM 0 HZ3 LYS A 78 -5.885 16.615 -16.392 1.00 22.80 H new ATOM 351 N LYS A 79 -3.921 22.565 -10.546 1.00 14.12 N ATOM 352 CA LYS A 79 -3.176 23.818 -10.426 1.00 15.11 C ATOM 353 C LYS A 79 -2.490 23.907 -9.059 1.00 14.99 C ATOM 354 O LYS A 79 -1.350 24.363 -8.955 1.00 14.69 O ATOM 355 CB LYS A 79 -4.088 25.023 -10.656 1.00 16.94 C ATOM 356 CG ALYS A 79 -3.382 26.378 -10.495 0.50 17.94 C ATOM 357 CG BLYS A 79 -3.541 26.093 -11.746 0.50 18.20 C ATOM 358 CD ALYS A 79 -2.937 26.938 -11.832 0.50 18.40 C ATOM 359 CD BLYS A 79 -4.639 27.049 -12.329 0.50 19.56 C ATOM 360 CE ALYS A 79 -2.243 28.278 -11.680 0.50 18.66 C ATOM 361 CE BLYS A 79 -4.162 28.516 -12.407 0.50 19.84 C ATOM 362 NZ ALYS A 79 -3.193 29.347 -11.284 0.50 18.88 N ATOM 363 NZ BLYS A 79 -2.814 28.682 -13.046 0.50 20.60 N ATOM 0 H LYS A 79 -4.774 22.657 -10.609 1.00 14.12 H new ATOM 0 HA LYS A 79 -2.491 23.829 -11.113 1.00 15.11 H new ATOM 0 HB2ALYS A 79 -4.463 24.968 -11.549 0.50 16.94 H new ATOM 0 HB2BLYS A 79 -4.958 24.704 -10.943 0.50 16.94 H new ATOM 0 HB3ALYS A 79 -4.830 24.979 -10.033 0.50 16.94 H new ATOM 0 HB3BLYS A 79 -4.218 25.480 -9.810 0.50 16.94 H new ATOM 0 HG2ALYS A 79 -3.981 27.007 -10.063 0.50 18.20 H new ATOM 0 HG2BLYS A 79 -2.846 26.630 -11.334 0.50 18.20 H new ATOM 0 HG3ALYS A 79 -2.612 26.276 -9.914 0.50 18.20 H new ATOM 0 HG3BLYS A 79 -3.128 25.609 -12.478 0.50 18.20 H new ATOM 0 HD2ALYS A 79 -2.336 26.310 -12.262 0.50 19.56 H new ATOM 0 HD2BLYS A 79 -4.891 26.746 -13.215 0.50 19.56 H new ATOM 0 HD3ALYS A 79 -3.707 27.037 -12.413 0.50 19.56 H new ATOM 0 HD3BLYS A 79 -5.434 26.999 -11.776 0.50 19.56 H new ATOM 0 HE2ALYS A 79 -1.541 28.205 -11.014 0.50 19.84 H new ATOM 0 HE2BLYS A 79 -4.813 29.033 -12.907 0.50 19.84 H new ATOM 0 HE3ALYS A 79 -1.816 28.518 -12.517 0.50 19.84 H new ATOM 0 HE3BLYS A 79 -4.133 28.886 -11.511 0.50 19.84 H new ATOM 0 HZ1ALYS A 79 -2.775 30.133 -11.288 0.50 20.60 H new ATOM 0 HZ1BLYS A 79 -2.713 29.525 -13.312 0.50 20.60 H new ATOM 0 HZ2ALYS A 79 -3.872 29.370 -11.859 0.50 20.60 H new ATOM 0 HZ2BLYS A 79 -2.179 28.479 -12.457 0.50 20.60 H new ATOM 0 HZ3ALYS A 79 -3.503 29.181 -10.467 0.50 20.60 H new ATOM 0 HZ3BLYS A 79 -2.750 28.140 -13.749 0.50 20.60 H new ATOM 364 N GLU A 80 -3.156 23.443 -8.011 1.00 12.93 N ATOM 365 CA GLU A 80 -2.624 23.644 -6.661 1.00 13.33 C ATOM 366 C GLU A 80 -1.720 22.518 -6.148 1.00 11.59 C ATOM 367 O GLU A 80 -0.960 22.723 -5.204 1.00 11.14 O ATOM 368 CB GLU A 80 -3.754 23.949 -5.667 1.00 14.31 C ATOM 369 CG GLU A 80 -4.634 22.766 -5.344 1.00 13.33 C ATOM 370 CD GLU A 80 -5.841 23.097 -4.475 1.00 14.28 C ATOM 371 OE1 GLU A 80 -6.135 24.296 -4.288 1.00 15.80 O ATOM 372 OE2 GLU A 80 -6.499 22.136 -4.000 1.00 15.28 O ATOM 0 H GLU A 80 -3.902 23.017 -8.052 1.00 12.93 H new ATOM 0 HA GLU A 80 -2.040 24.416 -6.730 1.00 13.33 H new ATOM 0 HB2 GLU A 80 -3.365 24.283 -4.844 1.00 14.31 H new ATOM 0 HB3 GLU A 80 -4.306 24.660 -6.029 1.00 14.31 H new ATOM 0 HG2 GLU A 80 -4.945 22.372 -6.174 1.00 13.33 H new ATOM 0 HG3 GLU A 80 -4.100 22.093 -4.894 1.00 13.33 H new ATOM 373 N PHE A 81 -1.770 21.328 -6.751 1.00 11.63 N ATOM 374 CA PHE A 81 -0.931 20.237 -6.288 1.00 12.32 C ATOM 375 C PHE A 81 0.587 20.526 -6.244 1.00 13.11 C ATOM 376 O PHE A 81 1.232 20.173 -5.264 1.00 12.34 O ATOM 377 CB PHE A 81 -1.219 18.937 -7.069 1.00 12.84 C ATOM 378 CG PHE A 81 -2.039 17.947 -6.296 1.00 12.87 C ATOM 379 CD1 PHE A 81 -3.405 18.083 -6.171 1.00 15.65 C ATOM 380 CD2 PHE A 81 -1.455 16.862 -5.699 1.00 14.64 C ATOM 381 CE1 PHE A 81 -4.157 17.179 -5.437 1.00 15.70 C ATOM 382 CE2 PHE A 81 -2.218 15.953 -4.983 1.00 15.81 C ATOM 383 CZ PHE A 81 -3.584 16.113 -4.858 1.00 13.74 C ATOM 0 H PHE A 81 -2.277 21.139 -7.420 1.00 11.63 H new ATOM 0 HA PHE A 81 -1.185 20.125 -5.359 1.00 12.32 H new ATOM 0 HB2 PHE A 81 -1.682 19.158 -7.892 1.00 12.84 H new ATOM 0 HB3 PHE A 81 -0.377 18.525 -7.319 1.00 12.84 H new ATOM 0 HD1 PHE A 81 -3.831 18.797 -6.588 1.00 15.65 H new ATOM 0 HD2 PHE A 81 -0.537 16.734 -5.775 1.00 14.64 H new ATOM 0 HE1 PHE A 81 -5.073 17.313 -5.345 1.00 15.70 H new ATOM 0 HE2 PHE A 81 -1.804 15.224 -4.581 1.00 15.81 H new ATOM 0 HZ PHE A 81 -4.094 15.497 -4.384 1.00 13.74 H new ATOM 384 N PRO A 82 1.162 21.138 -7.281 1.00 14.26 N ATOM 385 CA PRO A 82 2.581 21.540 -7.227 1.00 13.45 C ATOM 386 C PRO A 82 2.911 22.472 -6.060 1.00 13.25 C ATOM 387 O PRO A 82 3.994 22.367 -5.463 1.00 14.26 O ATOM 388 CB PRO A 82 2.792 22.246 -8.568 1.00 14.23 C ATOM 389 CG PRO A 82 1.766 21.593 -9.480 1.00 15.51 C ATOM 390 CD PRO A 82 0.563 21.433 -8.597 1.00 15.19 C ATOM 0 HA PRO A 82 3.162 20.777 -7.084 1.00 13.45 H new ATOM 0 HB2 PRO A 82 2.647 23.202 -8.495 1.00 14.23 H new ATOM 0 HB3 PRO A 82 3.695 22.121 -8.899 1.00 14.23 H new ATOM 0 HG2 PRO A 82 1.571 22.147 -10.252 1.00 15.51 H new ATOM 0 HG3 PRO A 82 2.079 20.738 -9.815 1.00 15.51 H new ATOM 0 HD2 PRO A 82 0.023 22.239 -8.575 1.00 15.19 H new ATOM 0 HD3 PRO A 82 -0.013 20.714 -8.900 1.00 15.19 H new ATOM 391 N TYR A 83 1.980 23.361 -5.735 1.00 11.78 N ATOM 392 CA TYR A 83 2.152 24.291 -4.620 1.00 11.24 C ATOM 393 C TYR A 83 2.152 23.560 -3.277 1.00 10.69 C ATOM 394 O TYR A 83 2.962 23.849 -2.393 1.00 10.99 O ATOM 395 CB TYR A 83 1.049 25.346 -4.630 1.00 11.48 C ATOM 396 CG TYR A 83 0.899 26.120 -5.927 1.00 12.00 C ATOM 397 CD1 TYR A 83 -0.325 26.695 -6.268 1.00 12.93 C ATOM 398 CD2 TYR A 83 1.976 26.307 -6.790 1.00 13.28 C ATOM 399 CE1 TYR A 83 -0.486 27.397 -7.436 1.00 13.16 C ATOM 400 CE2 TYR A 83 1.827 27.030 -7.972 1.00 14.17 C ATOM 401 CZ TYR A 83 0.593 27.575 -8.280 1.00 14.72 C ATOM 402 OH TYR A 83 0.436 28.288 -9.448 1.00 17.63 O ATOM 0 H TYR A 83 1.232 23.444 -6.152 1.00 11.78 H new ATOM 0 HA TYR A 83 3.013 24.724 -4.732 1.00 11.24 H new ATOM 0 HB2 TYR A 83 0.205 24.911 -4.431 1.00 11.48 H new ATOM 0 HB3 TYR A 83 1.219 25.977 -3.913 1.00 11.48 H new ATOM 0 HD1 TYR A 83 -1.048 26.601 -5.691 1.00 12.93 H new ATOM 0 HD2 TYR A 83 2.805 25.945 -6.575 1.00 13.28 H new ATOM 0 HE1 TYR A 83 -1.317 27.751 -7.658 1.00 13.16 H new ATOM 0 HE2 TYR A 83 2.549 27.145 -8.547 1.00 14.17 H new ATOM 0 HH TYR A 83 1.168 28.317 -9.859 1.00 17.63 H new HETATM 403 N MSE A 84 1.221 22.628 -3.108 1.00 9.75 N HETATM 404 CA MSE A 84 1.202 21.790 -1.919 1.00 9.88 C HETATM 405 C MSE A 84 2.509 21.035 -1.735 1.00 11.35 C HETATM 406 O MSE A 84 3.033 20.944 -0.626 1.00 11.12 O HETATM 407 CB MSE A 84 0.023 20.803 -1.985 1.00 9.79 C HETATM 408 CG AMSE A 84 -1.339 21.501 -1.848 0.00 15.28 C HETATM 409 CG BMSE A 84 -1.379 21.491 -1.847 1.00 9.50 C HETATM 410 SE AMSE A 84 -2.807 20.292 -1.805 0.00 26.73 SE HETATM 411 SE BMSE A 84 -2.890 20.470 -2.432 1.00 15.57 SE HETATM 412 CE AMSE A 84 -3.020 20.075 -3.654 0.00 24.53 C HETATM 413 CE BMSE A 84 -2.680 18.979 -1.319 1.00 15.00 C HETATM 0 H MSE A 84 0.592 22.466 -3.671 1.00 9.75 H new HETATM 0 HA MSE A 84 1.091 22.373 -1.152 1.00 9.88 H new HETATM 0 HB2AMSE A 84 0.054 20.323 -2.828 0.00 9.79 H new HETATM 0 HB2BMSE A 84 0.058 20.324 -2.828 1.00 9.79 H new HETATM 0 HB3AMSE A 84 0.117 20.144 -1.280 0.00 9.79 H new HETATM 0 HB3BMSE A 84 0.123 20.144 -1.280 1.00 9.79 H new HETATM 0 HG2AMSE A 84 -1.342 22.032 -1.036 0.00 9.50 H new HETATM 0 HG2BMSE A 84 -1.512 21.725 -0.915 1.00 9.50 H new HETATM 0 HG3AMSE A 84 -1.456 22.115 -2.590 0.00 9.50 H new HETATM 0 HG3BMSE A 84 -1.361 22.321 -2.348 1.00 9.50 H new HETATM 0 HE1AMSE A 84 -3.755 19.466 -3.826 0.00 15.00 H new HETATM 0 HE1BMSE A 84 -3.390 18.342 -1.494 1.00 15.00 H new HETATM 0 HE2AMSE A 84 -3.211 20.934 -4.061 0.00 15.00 H new HETATM 0 HE2BMSE A 84 -1.822 18.563 -1.494 1.00 15.00 H new HETATM 0 HE3AMSE A 84 -2.204 19.713 -4.034 0.00 15.00 H new HETATM 0 HE3BMSE A 84 -2.720 19.259 -0.391 1.00 15.00 H new ATOM 414 N ALA A 85 3.013 20.454 -2.812 1.00 11.36 N ATOM 415 CA ALA A 85 4.267 19.699 -2.729 1.00 12.59 C ATOM 416 C ALA A 85 5.434 20.586 -2.324 1.00 13.34 C ATOM 417 O ALA A 85 6.243 20.190 -1.480 1.00 13.76 O ATOM 418 CB ALA A 85 4.561 19.002 -4.038 1.00 13.51 C ATOM 0 H ALA A 85 2.655 20.480 -3.594 1.00 11.36 H new ATOM 0 HA ALA A 85 4.155 19.028 -2.038 1.00 12.59 H new ATOM 0 HB1 ALA A 85 5.393 18.509 -3.963 1.00 13.51 H new ATOM 0 HB2 ALA A 85 3.840 18.388 -4.247 1.00 13.51 H new ATOM 0 HB3 ALA A 85 4.639 19.661 -4.745 1.00 13.51 H new ATOM 419 N ASN A 86 5.510 21.779 -2.908 1.00 12.31 N ATOM 420 CA ASN A 86 6.605 22.704 -2.593 1.00 13.90 C ATOM 421 C ASN A 86 6.575 23.117 -1.130 1.00 13.46 C ATOM 422 O ASN A 86 7.612 23.177 -0.473 1.00 15.55 O ATOM 423 CB AASN A 86 6.516 23.990 -3.422 0.80 15.59 C ATOM 424 CB BASN A 86 6.586 23.933 -3.502 0.20 12.54 C ATOM 425 CG AASN A 86 6.644 23.760 -4.910 0.80 18.28 C ATOM 426 CG BASN A 86 7.924 24.658 -3.527 0.20 12.13 C ATOM 427 OD1AASN A 86 7.221 22.763 -5.354 0.80 23.00 O ATOM 428 OD1BASN A 86 7.978 25.881 -3.447 0.20 11.26 O ATOM 429 ND2AASN A 86 6.117 24.700 -5.699 0.80 21.11 N ATOM 430 ND2BASN A 86 9.008 23.899 -3.632 0.20 10.87 N ATOM 0 H ASN A 86 4.944 22.073 -3.485 1.00 12.31 H new ATOM 0 HA ASN A 86 7.424 22.226 -2.798 1.00 13.90 H new ATOM 0 HB2AASN A 86 5.668 24.424 -3.241 0.80 12.54 H new ATOM 0 HB2BASN A 86 6.351 23.662 -4.403 0.20 12.54 H new ATOM 0 HB3AASN A 86 7.214 24.600 -3.135 0.80 12.54 H new ATOM 0 HB3BASN A 86 5.896 24.544 -3.201 0.20 12.54 H new ATOM 0 HD21AASN A 86 6.172 24.624 -6.554 0.80 10.87 H new ATOM 0 HD21BASN A 86 9.787 24.262 -3.646 0.20 10.87 H new ATOM 0 HD22AASN A 86 5.722 25.381 -5.352 0.80 10.87 H new ATOM 0 HD22BASN A 86 8.931 23.044 -3.686 0.20 10.87 H new ATOM 431 N GLN A 87 5.392 23.456 -0.631 1.00 12.16 N ATOM 432 CA GLN A 87 5.238 23.852 0.762 1.00 12.34 C ATOM 433 C GLN A 87 5.400 22.710 1.756 1.00 12.99 C ATOM 434 O GLN A 87 5.837 22.935 2.886 1.00 14.37 O ATOM 435 CB GLN A 87 3.897 24.565 0.976 1.00 11.55 C ATOM 436 CG GLN A 87 3.800 25.884 0.235 1.00 12.65 C ATOM 437 CD GLN A 87 4.784 26.889 0.751 1.00 12.64 C ATOM 438 OE1 GLN A 87 4.888 27.096 1.964 1.00 13.78 O ATOM 439 NE2 GLN A 87 5.520 27.508 -0.155 1.00 13.63 N ATOM 0 H GLN A 87 4.662 23.463 -1.086 1.00 12.16 H new ATOM 0 HA GLN A 87 5.967 24.465 0.943 1.00 12.34 H new ATOM 0 HB2 GLN A 87 3.177 23.983 0.685 1.00 11.55 H new ATOM 0 HB3 GLN A 87 3.768 24.723 1.924 1.00 11.55 H new ATOM 0 HG2 GLN A 87 3.956 25.735 -0.711 1.00 12.65 H new ATOM 0 HG3 GLN A 87 2.901 26.238 0.322 1.00 12.65 H new ATOM 0 HE21 GLN A 87 5.413 27.332 -0.990 1.00 13.63 H new ATOM 0 HE22 GLN A 87 6.106 28.087 0.090 1.00 13.63 H new ATOM 440 N TYR A 88 5.051 21.491 1.354 1.00 13.64 N ATOM 441 CA TYR A 88 5.224 20.330 2.220 1.00 13.71 C ATOM 442 C TYR A 88 6.694 20.160 2.598 1.00 16.22 C ATOM 443 O TYR A 88 6.994 19.791 3.710 1.00 16.78 O ATOM 444 CB TYR A 88 4.693 19.072 1.540 1.00 13.69 C ATOM 445 CG TYR A 88 4.610 17.854 2.431 1.00 12.74 C ATOM 446 CD1 TYR A 88 3.798 17.826 3.558 1.00 12.93 C ATOM 447 CD2 TYR A 88 5.332 16.701 2.124 1.00 12.11 C ATOM 448 CE1 TYR A 88 3.707 16.683 4.370 1.00 14.38 C ATOM 449 CE2 TYR A 88 5.240 15.570 2.915 1.00 13.36 C ATOM 450 CZ TYR A 88 4.431 15.553 4.030 1.00 13.69 C ATOM 451 OH TYR A 88 4.331 14.418 4.811 1.00 15.69 O ATOM 0 H TYR A 88 4.712 21.315 0.583 1.00 13.64 H new ATOM 0 HA TYR A 88 4.715 20.474 3.033 1.00 13.71 H new ATOM 0 HB2 TYR A 88 3.809 19.259 1.187 1.00 13.69 H new ATOM 0 HB3 TYR A 88 5.263 18.864 0.783 1.00 13.69 H new ATOM 0 HD1 TYR A 88 3.303 18.581 3.780 1.00 12.93 H new ATOM 0 HD2 TYR A 88 5.884 16.692 1.376 1.00 12.11 H new ATOM 0 HE1 TYR A 88 3.167 16.685 5.127 1.00 14.38 H new ATOM 0 HE2 TYR A 88 5.730 14.812 2.691 1.00 13.36 H new ATOM 0 HH TYR A 88 3.534 14.314 5.054 1.00 15.69 H new ATOM 452 N LYS A 89 7.599 20.490 1.684 1.00 17.38 N ATOM 453 CA LYS A 89 9.034 20.430 1.993 1.00 18.45 C ATOM 454 C LYS A 89 9.434 21.304 3.189 1.00 19.45 C ATOM 455 O LYS A 89 10.397 20.987 3.888 1.00 20.05 O ATOM 456 CB LYS A 89 9.852 20.798 0.753 1.00 19.34 C ATOM 457 CG LYS A 89 9.639 19.821 -0.394 1.00 19.61 C ATOM 458 CD LYS A 89 10.451 20.165 -1.625 1.00 20.62 C ATOM 459 CE LYS A 89 10.566 19.380 -2.702 0.00 32.31 C ATOM 460 NZ LYS A 89 10.867 19.984 -4.040 0.00 34.32 N ATOM 0 H LYS A 89 7.412 20.749 0.886 1.00 17.38 H new ATOM 0 HA LYS A 89 9.229 19.516 2.252 1.00 18.45 H new ATOM 0 HB2 LYS A 89 9.610 21.691 0.463 1.00 19.34 H new ATOM 0 HB3 LYS A 89 10.794 20.820 0.985 1.00 19.34 H new ATOM 0 HG2 LYS A 89 9.873 18.927 -0.098 1.00 19.61 H new ATOM 0 HG3 LYS A 89 8.698 19.805 -0.628 1.00 19.61 H new ATOM 0 HD2 LYS A 89 10.105 21.012 -1.946 1.00 20.62 H new ATOM 0 HD3 LYS A 89 11.355 20.327 -1.313 1.00 20.62 H new ATOM 0 HE2 LYS A 89 11.264 18.733 -2.514 0.00 32.31 H new ATOM 0 HE3 LYS A 89 9.736 18.886 -2.789 0.00 32.31 H new ATOM 0 HZ1 LYS A 89 10.913 19.340 -4.653 0.00 34.32 H new ATOM 0 HZ2 LYS A 89 10.222 20.557 -4.259 0.00 34.32 H new ATOM 0 HZ3 LYS A 89 11.645 20.414 -4.003 0.00 34.32 H new ATOM 461 N HIS A 90 8.715 22.404 3.403 1.00 18.80 N ATOM 462 CA HIS A 90 8.988 23.370 4.476 1.00 18.81 C ATOM 463 C HIS A 90 8.267 23.058 5.794 1.00 18.57 C ATOM 464 O HIS A 90 8.762 23.384 6.870 1.00 19.66 O ATOM 465 CB HIS A 90 8.585 24.766 3.992 1.00 20.03 C ATOM 466 CG HIS A 90 8.881 25.873 4.960 1.00 20.78 C ATOM 467 ND1 HIS A 90 10.095 26.526 4.995 1.00 21.53 N ATOM 468 CD2 HIS A 90 8.105 26.473 5.898 1.00 22.08 C ATOM 469 CE1 HIS A 90 10.059 27.470 5.921 1.00 22.16 C ATOM 470 NE2 HIS A 90 8.866 27.455 6.487 1.00 22.34 N ATOM 0 H HIS A 90 8.038 22.618 2.918 1.00 18.80 H new ATOM 0 HA HIS A 90 9.937 23.318 4.669 1.00 18.81 H new ATOM 0 HB2 HIS A 90 9.044 24.951 3.158 1.00 20.03 H new ATOM 0 HB3 HIS A 90 7.634 24.767 3.799 1.00 20.03 H new ATOM 0 HD1 HIS A 90 10.770 26.347 4.493 1.00 21.53 H new ATOM 0 HD2 HIS A 90 7.223 26.260 6.104 1.00 22.08 H new ATOM 0 HE1 HIS A 90 10.756 28.047 6.137 1.00 22.16 H new ATOM 471 N PHE A 91 7.079 22.457 5.709 1.00 16.05 N ATOM 472 CA PHE A 91 6.194 22.309 6.869 1.00 15.85 C ATOM 473 C PHE A 91 6.151 20.914 7.536 1.00 16.20 C ATOM 474 O PHE A 91 5.705 20.802 8.684 1.00 16.88 O ATOM 475 CB PHE A 91 4.775 22.754 6.489 1.00 14.65 C ATOM 476 CG PHE A 91 4.600 24.254 6.470 1.00 14.01 C ATOM 477 CD1 PHE A 91 4.577 24.950 5.267 1.00 14.32 C ATOM 478 CD2 PHE A 91 4.465 24.958 7.643 1.00 13.75 C ATOM 479 CE1 PHE A 91 4.427 26.329 5.252 1.00 13.45 C ATOM 480 CE2 PHE A 91 4.304 26.334 7.638 1.00 15.09 C ATOM 481 CZ PHE A 91 4.280 27.017 6.442 1.00 14.41 C ATOM 0 H PHE A 91 6.764 22.125 4.981 1.00 16.05 H new ATOM 0 HA PHE A 91 6.584 22.881 7.549 1.00 15.85 H new ATOM 0 HB2 PHE A 91 4.556 22.399 5.613 1.00 14.65 H new ATOM 0 HB3 PHE A 91 4.144 22.370 7.117 1.00 14.65 H new ATOM 0 HD1 PHE A 91 4.663 24.487 4.465 1.00 14.32 H new ATOM 0 HD2 PHE A 91 4.482 24.503 8.454 1.00 13.75 H new ATOM 0 HE1 PHE A 91 4.425 26.789 4.444 1.00 13.45 H new ATOM 0 HE2 PHE A 91 4.212 26.795 8.440 1.00 15.09 H new ATOM 0 HZ PHE A 91 4.165 27.940 6.435 1.00 14.41 H new ATOM 482 N LYS A 92 6.616 19.865 6.866 1.00 18.14 N ATOM 483 CA LYS A 92 6.667 18.547 7.541 1.00 19.69 C ATOM 484 C LYS A 92 7.464 18.592 8.857 1.00 18.84 C ATOM 485 O LYS A 92 7.033 18.028 9.868 1.00 19.02 O ATOM 486 CB ALYS A 92 7.209 17.385 6.674 0.20 19.78 C ATOM 487 CB BLYS A 92 7.224 17.479 6.606 0.80 21.92 C ATOM 488 CG ALYS A 92 7.612 17.676 5.247 0.20 19.86 C ATOM 489 CG BLYS A 92 7.033 16.064 7.126 0.80 23.55 C ATOM 490 CD ALYS A 92 8.302 16.478 4.603 0.20 20.17 C ATOM 491 CD BLYS A 92 7.491 15.043 6.108 0.80 25.18 C ATOM 492 CE ALYS A 92 8.914 16.847 3.261 0.20 19.97 C ATOM 493 CE BLYS A 92 7.254 13.618 6.595 0.80 26.64 C ATOM 494 NZ ALYS A 92 9.638 15.708 2.636 0.20 20.59 N ATOM 495 NZ BLYS A 92 8.138 12.653 5.884 0.80 28.07 N ATOM 0 H LYS A 92 6.898 19.879 6.054 1.00 18.14 H new ATOM 0 HA LYS A 92 5.733 18.359 7.721 1.00 19.69 H new ATOM 0 HB2ALYS A 92 7.981 17.013 7.128 0.20 21.92 H new ATOM 0 HB2BLYS A 92 6.793 17.559 5.741 0.80 21.92 H new ATOM 0 HB3ALYS A 92 6.531 16.692 6.653 0.20 21.92 H new ATOM 0 HB3BLYS A 92 8.170 17.641 6.468 0.80 21.92 H new ATOM 0 HG2ALYS A 92 6.826 17.914 4.730 0.20 23.55 H new ATOM 0 HG2BLYS A 92 7.531 15.949 7.950 0.80 23.55 H new ATOM 0 HG3ALYS A 92 8.207 18.442 5.228 0.20 23.55 H new ATOM 0 HG3BLYS A 92 6.098 15.917 7.337 0.80 23.55 H new ATOM 0 HD2ALYS A 92 8.994 16.144 5.195 0.20 25.18 H new ATOM 0 HD2BLYS A 92 7.018 15.183 5.273 0.80 25.18 H new ATOM 0 HD3ALYS A 92 7.661 15.760 4.482 0.20 25.18 H new ATOM 0 HD3BLYS A 92 8.435 15.170 5.924 0.80 25.18 H new ATOM 0 HE2ALYS A 92 8.214 17.150 2.662 0.20 26.64 H new ATOM 0 HE2BLYS A 92 7.418 13.568 7.550 0.80 26.64 H new ATOM 0 HE3ALYS A 92 9.526 17.590 3.381 0.20 26.64 H new ATOM 0 HE3BLYS A 92 6.326 13.375 6.454 0.80 26.64 H new ATOM 0 HZ1ALYS A 92 9.980 15.965 1.856 0.20 28.07 H new ATOM 0 HZ1BLYS A 92 7.982 11.830 6.185 0.80 28.07 H new ATOM 0 HZ2ALYS A 92 10.295 15.443 3.174 0.20 28.07 H new ATOM 0 HZ2BLYS A 92 7.972 12.686 5.010 0.80 28.07 H new ATOM 0 HZ3ALYS A 92 9.073 15.033 2.504 0.20 28.07 H new ATOM 0 HZ3BLYS A 92 8.989 12.866 6.032 0.80 28.07 H new ATOM 496 N SER A 93 8.603 19.285 8.850 1.00 17.35 N ATOM 497 CA SER A 93 9.460 19.430 10.039 1.00 16.47 C ATOM 498 C SER A 93 8.934 20.419 11.093 1.00 15.08 C ATOM 499 O SER A 93 9.521 20.594 12.154 1.00 14.10 O ATOM 500 CB SER A 93 10.880 19.823 9.619 1.00 17.74 C ATOM 501 OG SER A 93 10.885 21.051 8.920 1.00 17.39 O ATOM 0 H SER A 93 8.906 19.688 8.153 1.00 17.35 H new ATOM 0 HA SER A 93 9.457 18.561 10.469 1.00 16.47 H new ATOM 0 HB2 SER A 93 11.445 19.893 10.405 1.00 17.74 H new ATOM 0 HB3 SER A 93 11.258 19.127 9.059 1.00 17.74 H new ATOM 0 HG SER A 93 11.672 21.246 8.702 1.00 17.39 H new ATOM 502 N GLN A 94 7.812 21.064 10.792 1.00 13.55 N ATOM 503 CA GLN A 94 7.112 21.900 11.740 1.00 14.02 C ATOM 504 C GLN A 94 5.841 21.234 12.263 1.00 12.01 C ATOM 505 O GLN A 94 5.056 21.872 12.969 1.00 13.50 O ATOM 506 CB GLN A 94 6.774 23.225 11.075 1.00 14.70 C ATOM 507 CG GLN A 94 8.016 23.963 10.589 1.00 16.70 C ATOM 508 CD GLN A 94 7.738 25.408 10.250 1.00 17.89 C ATOM 509 OE1 GLN A 94 7.468 26.223 11.140 1.00 20.83 O ATOM 510 NE2 GLN A 94 7.790 25.730 8.962 1.00 20.26 N ATOM 0 H GLN A 94 7.436 21.024 10.020 1.00 13.55 H new ATOM 0 HA GLN A 94 7.692 22.046 12.504 1.00 14.02 H new ATOM 0 HB2 GLN A 94 6.181 23.065 10.324 1.00 14.70 H new ATOM 0 HB3 GLN A 94 6.292 23.786 11.703 1.00 14.70 H new ATOM 0 HG2 GLN A 94 8.702 23.921 11.274 1.00 16.70 H new ATOM 0 HG3 GLN A 94 8.370 23.513 9.806 1.00 16.70 H new ATOM 0 HE21 GLN A 94 7.982 25.130 8.376 1.00 20.26 H new ATOM 0 HE22 GLN A 94 7.632 26.538 8.714 1.00 20.26 H new ATOM 511 N GLY A 95 5.647 19.960 11.936 1.00 12.23 N ATOM 512 CA GLY A 95 4.517 19.210 12.447 1.00 12.36 C ATOM 513 C GLY A 95 3.196 19.401 11.731 1.00 11.45 C ATOM 514 O GLY A 95 2.154 19.272 12.357 1.00 12.06 O ATOM 0 H GLY A 95 6.165 19.513 11.415 1.00 12.23 H new ATOM 0 HA2 GLY A 95 4.742 18.267 12.421 1.00 12.36 H new ATOM 0 HA3 GLY A 95 4.393 19.446 13.380 1.00 12.36 H new ATOM 515 N VAL A 96 3.238 19.652 10.426 1.00 10.82 N ATOM 516 CA VAL A 96 2.035 19.665 9.584 1.00 10.96 C ATOM 517 C VAL A 96 2.076 18.459 8.647 1.00 10.96 C ATOM 518 O VAL A 96 3.111 18.146 8.046 1.00 14.14 O ATOM 519 CB VAL A 96 1.935 20.965 8.753 1.00 11.65 C ATOM 520 CG1 VAL A 96 0.724 20.930 7.826 1.00 14.15 C ATOM 521 CG2 VAL A 96 1.914 22.166 9.672 1.00 12.59 C ATOM 0 H VAL A 96 3.965 19.821 9.999 1.00 10.82 H new ATOM 0 HA VAL A 96 1.256 19.623 10.160 1.00 10.96 H new ATOM 0 HB VAL A 96 2.719 21.038 8.186 1.00 11.65 H new ATOM 0 HG11 VAL A 96 0.682 21.754 7.316 1.00 14.15 H new ATOM 0 HG12 VAL A 96 0.803 20.178 7.218 1.00 14.15 H new ATOM 0 HG13 VAL A 96 -0.085 20.835 8.353 1.00 14.15 H new ATOM 0 HG21 VAL A 96 1.851 22.977 9.144 1.00 12.59 H new ATOM 0 HG22 VAL A 96 1.149 22.107 10.265 1.00 12.59 H new ATOM 0 HG23 VAL A 96 2.729 22.186 10.198 1.00 12.59 H new ATOM 522 N GLU A 97 0.946 17.769 8.550 1.00 10.03 N ATOM 523 CA GLU A 97 0.769 16.675 7.615 1.00 12.73 C ATOM 524 C GLU A 97 -0.294 17.041 6.597 1.00 11.84 C ATOM 525 O GLU A 97 -1.226 17.750 6.930 1.00 12.39 O ATOM 526 CB GLU A 97 0.382 15.387 8.362 1.00 12.89 C ATOM 527 CG GLU A 97 0.286 14.133 7.490 1.00 14.38 C ATOM 528 CD GLU A 97 1.608 13.800 6.835 1.00 15.19 C ATOM 529 OE1 GLU A 97 2.329 12.868 7.307 1.00 19.52 O ATOM 530 OE2 GLU A 97 1.977 14.467 5.863 1.00 14.22 O ATOM 0 H GLU A 97 0.253 17.928 9.034 1.00 10.03 H new ATOM 0 HA GLU A 97 1.606 16.515 7.152 1.00 12.73 H new ATOM 0 HB2 GLU A 97 1.034 15.228 9.062 1.00 12.89 H new ATOM 0 HB3 GLU A 97 -0.473 15.527 8.798 1.00 12.89 H new ATOM 0 HG2 GLU A 97 -0.004 13.383 8.033 1.00 14.38 H new ATOM 0 HG3 GLU A 97 -0.389 14.266 6.806 1.00 14.38 H new ATOM 531 N ILE A 98 -0.123 16.615 5.351 1.00 10.90 N ATOM 532 CA ILE A 98 -1.179 16.676 4.349 1.00 11.55 C ATOM 533 C ILE A 98 -1.838 15.324 4.233 1.00 11.23 C ATOM 534 O ILE A 98 -1.150 14.283 4.208 1.00 12.60 O ATOM 535 CB ILE A 98 -0.610 17.090 2.983 1.00 12.32 C ATOM 536 CG1 ILE A 98 -0.018 18.483 3.038 1.00 12.56 C ATOM 537 CG2 ILE A 98 -1.688 16.988 1.906 1.00 13.81 C ATOM 538 CD1 ILE A 98 0.822 18.816 1.812 1.00 13.66 C ATOM 0 H ILE A 98 0.614 16.280 5.061 1.00 10.90 H new ATOM 0 HA ILE A 98 -1.831 17.339 4.625 1.00 11.55 H new ATOM 0 HB ILE A 98 0.107 16.479 2.753 1.00 12.32 H new ATOM 0 HG12 ILE A 98 -0.735 19.132 3.120 1.00 12.56 H new ATOM 0 HG13 ILE A 98 0.531 18.565 3.833 1.00 12.56 H new ATOM 0 HG21 ILE A 98 -1.316 17.252 1.050 1.00 13.81 H new ATOM 0 HG22 ILE A 98 -2.006 16.073 1.852 1.00 13.81 H new ATOM 0 HG23 ILE A 98 -2.427 17.574 2.131 1.00 13.81 H new ATOM 0 HD11 ILE A 98 1.176 19.715 1.897 1.00 13.66 H new ATOM 0 HD12 ILE A 98 1.555 18.185 1.741 1.00 13.66 H new ATOM 0 HD13 ILE A 98 0.270 18.760 1.016 1.00 13.66 H new ATOM 539 N VAL A 99 -3.145 15.292 4.136 1.00 10.32 N ATOM 540 CA VAL A 99 -3.870 14.083 3.745 1.00 9.94 C ATOM 541 C VAL A 99 -4.736 14.498 2.564 1.00 10.07 C ATOM 542 O VAL A 99 -5.688 15.281 2.703 1.00 10.09 O ATOM 543 CB VAL A 99 -4.689 13.475 4.870 1.00 10.45 C ATOM 544 CG1 VAL A 99 -5.446 12.250 4.376 1.00 12.05 C ATOM 545 CG2 VAL A 99 -3.791 13.086 6.045 1.00 12.85 C ATOM 0 H VAL A 99 -3.651 15.969 4.294 1.00 10.32 H new ATOM 0 HA VAL A 99 -3.250 13.375 3.510 1.00 9.94 H new ATOM 0 HB VAL A 99 -5.326 14.142 5.171 1.00 10.45 H new ATOM 0 HG11 VAL A 99 -5.964 11.873 5.105 1.00 12.05 H new ATOM 0 HG12 VAL A 99 -6.042 12.507 3.655 1.00 12.05 H new ATOM 0 HG13 VAL A 99 -4.815 11.588 4.053 1.00 12.05 H new ATOM 0 HG21 VAL A 99 -4.332 12.700 6.752 1.00 12.85 H new ATOM 0 HG22 VAL A 99 -3.134 12.436 5.749 1.00 12.85 H new ATOM 0 HG23 VAL A 99 -3.336 13.875 6.380 1.00 12.85 H new ATOM 546 N ALA A 100 -4.384 14.023 1.368 1.00 9.25 N ATOM 547 CA ALA A 100 -5.092 14.373 0.153 1.00 9.26 C ATOM 548 C ALA A 100 -6.035 13.235 -0.198 1.00 9.10 C ATOM 549 O ALA A 100 -5.594 12.160 -0.634 1.00 10.01 O ATOM 550 CB ALA A 100 -4.121 14.671 -0.965 1.00 9.44 C ATOM 0 H ALA A 100 -3.723 13.486 1.246 1.00 9.25 H new ATOM 0 HA ALA A 100 -5.612 15.181 0.288 1.00 9.26 H new ATOM 0 HB1 ALA A 100 -4.613 14.903 -1.768 1.00 9.44 H new ATOM 0 HB2 ALA A 100 -3.551 15.414 -0.710 1.00 9.44 H new ATOM 0 HB3 ALA A 100 -3.574 13.888 -1.136 1.00 9.44 H new ATOM 551 N VAL A 101 -7.325 13.455 0.003 1.00 8.98 N ATOM 552 CA VAL A 101 -8.370 12.439 -0.161 1.00 9.49 C ATOM 553 C VAL A 101 -8.892 12.484 -1.585 1.00 9.32 C ATOM 554 O VAL A 101 -9.544 13.460 -1.992 1.00 9.44 O ATOM 555 CB VAL A 101 -9.542 12.704 0.811 1.00 10.10 C ATOM 556 CG1 VAL A 101 -10.582 11.632 0.665 1.00 11.37 C ATOM 557 CG2 VAL A 101 -9.077 12.777 2.248 1.00 11.32 C ATOM 0 H VAL A 101 -7.632 14.221 0.246 1.00 8.98 H new ATOM 0 HA VAL A 101 -7.990 11.568 0.032 1.00 9.49 H new ATOM 0 HB VAL A 101 -9.925 13.565 0.581 1.00 10.10 H new ATOM 0 HG11 VAL A 101 -11.314 11.805 1.278 1.00 11.37 H new ATOM 0 HG12 VAL A 101 -10.917 11.628 -0.245 1.00 11.37 H new ATOM 0 HG13 VAL A 101 -10.188 10.769 0.868 1.00 11.37 H new ATOM 0 HG21 VAL A 101 -9.838 12.944 2.826 1.00 11.32 H new ATOM 0 HG22 VAL A 101 -8.660 11.937 2.497 1.00 11.32 H new ATOM 0 HG23 VAL A 101 -8.434 13.497 2.344 1.00 11.32 H new ATOM 558 N ASN A 102 -8.582 11.445 -2.355 1.00 9.48 N ATOM 559 CA ASN A 102 -9.092 11.314 -3.695 1.00 9.72 C ATOM 560 C ASN A 102 -10.550 10.846 -3.672 1.00 9.20 C ATOM 561 O ASN A 102 -10.882 9.887 -2.975 1.00 10.66 O ATOM 562 CB ASN A 102 -8.259 10.330 -4.505 1.00 9.67 C ATOM 563 CG ASN A 102 -8.859 10.096 -5.860 1.00 10.05 C ATOM 564 OD1 ASN A 102 -9.712 9.190 -6.000 1.00 11.34 O ATOM 565 ND2 ASN A 102 -8.566 10.989 -6.817 1.00 11.18 N ATOM 0 H ASN A 102 -8.069 10.801 -2.107 1.00 9.48 H new ATOM 0 HA ASN A 102 -9.041 12.187 -4.115 1.00 9.72 H new ATOM 0 HB2 ASN A 102 -7.356 10.671 -4.603 1.00 9.67 H new ATOM 0 HB3 ASN A 102 -8.194 9.488 -4.028 1.00 9.67 H new ATOM 0 HD21 ASN A 102 -8.973 10.957 -7.574 1.00 11.18 H new ATOM 0 HD22 ASN A 102 -7.972 11.594 -6.673 1.00 11.18 H new ATOM 566 N VAL A 103 -11.377 11.482 -4.486 1.00 10.44 N ATOM 567 CA VAL A 103 -12.807 11.198 -4.500 1.00 11.77 C ATOM 568 C VAL A 103 -13.132 10.126 -5.545 1.00 12.32 C ATOM 569 O VAL A 103 -13.343 10.432 -6.725 1.00 15.12 O ATOM 570 CB AVAL A 103 -13.634 12.490 -4.687 0.30 12.43 C ATOM 571 CB BVAL A 103 -13.603 12.472 -4.800 0.70 12.29 C ATOM 572 CG1AVAL A 103 -13.369 13.448 -3.519 0.30 12.90 C ATOM 573 CG1BVAL A 103 -15.127 12.186 -4.809 0.70 12.80 C ATOM 574 CG2AVAL A 103 -13.354 13.179 -6.027 0.30 13.57 C ATOM 575 CG2BVAL A 103 -13.270 13.557 -3.782 0.70 13.70 C ATOM 0 H VAL A 103 -11.130 12.088 -5.044 1.00 10.44 H new ATOM 0 HA VAL A 103 -13.061 10.838 -3.636 1.00 11.77 H new ATOM 0 HB AVAL A 103 -14.571 12.239 -4.696 0.30 12.29 H new ATOM 0 HB BVAL A 103 -13.351 12.785 -5.683 0.70 12.29 H new ATOM 0 HG11AVAL A 103 -13.890 14.258 -3.640 0.30 12.80 H new ATOM 0 HG11BVAL A 103 -15.609 13.006 -5.001 0.70 12.80 H new ATOM 0 HG12AVAL A 103 -13.624 13.021 -2.686 0.30 12.80 H new ATOM 0 HG12BVAL A 103 -15.329 11.526 -5.491 0.70 12.80 H new ATOM 0 HG13AVAL A 103 -12.426 13.672 -3.492 0.30 12.80 H new ATOM 0 HG13BVAL A 103 -15.398 11.847 -3.941 0.70 12.80 H new ATOM 0 HG21AVAL A 103 -13.894 13.982 -6.098 0.30 13.70 H new ATOM 0 HG21BVAL A 103 -13.780 14.357 -3.983 0.70 13.70 H new ATOM 0 HG22AVAL A 103 -12.415 13.416 -6.079 0.30 13.70 H new ATOM 0 HG22BVAL A 103 -13.496 13.246 -2.891 0.70 13.70 H new ATOM 0 HG23AVAL A 103 -13.575 12.576 -6.754 0.30 13.70 H new ATOM 0 HG23BVAL A 103 -12.322 13.759 -3.823 0.70 13.70 H new ATOM 576 N GLY A 104 -13.079 8.871 -5.117 1.00 12.17 N ATOM 577 CA GLY A 104 -13.698 7.776 -5.843 1.00 13.06 C ATOM 578 C GLY A 104 -12.915 7.075 -6.932 1.00 12.10 C ATOM 579 O GLY A 104 -13.410 6.086 -7.478 1.00 12.57 O ATOM 0 H GLY A 104 -12.681 8.631 -4.394 1.00 12.17 H new ATOM 0 HA2 GLY A 104 -13.958 7.105 -5.193 1.00 13.06 H new ATOM 0 HA3 GLY A 104 -14.514 8.115 -6.243 1.00 13.06 H new ATOM 580 N GLU A 105 -11.714 7.519 -7.257 1.00 10.46 N ATOM 581 CA GLU A 105 -10.954 6.956 -8.377 1.00 10.64 C ATOM 582 C GLU A 105 -10.086 5.755 -7.979 1.00 11.19 C ATOM 583 O GLU A 105 -9.953 5.448 -6.799 1.00 12.76 O ATOM 584 CB GLU A 105 -10.131 8.052 -9.082 1.00 10.48 C ATOM 585 CG GLU A 105 -11.029 9.135 -9.653 1.00 10.59 C ATOM 586 CD GLU A 105 -10.263 10.287 -10.218 1.00 10.65 C ATOM 587 OE1 GLU A 105 -9.808 11.140 -9.404 1.00 11.08 O ATOM 588 OE2 GLU A 105 -10.084 10.357 -11.450 1.00 12.39 O ATOM 0 H GLU A 105 -11.310 8.154 -6.840 1.00 10.46 H new ATOM 0 HA GLU A 105 -11.603 6.607 -9.009 1.00 10.64 H new ATOM 0 HB2 GLU A 105 -9.506 8.445 -8.453 1.00 10.48 H new ATOM 0 HB3 GLU A 105 -9.605 7.656 -9.794 1.00 10.48 H new ATOM 0 HG2 GLU A 105 -11.588 8.752 -10.347 1.00 10.59 H new ATOM 0 HG3 GLU A 105 -11.622 9.457 -8.957 1.00 10.59 H new ATOM 589 N SER A 106 -9.558 5.060 -8.983 1.00 10.51 N ATOM 590 CA SER A 106 -8.829 3.810 -8.783 1.00 10.24 C ATOM 591 C SER A 106 -7.396 4.028 -8.323 1.00 11.33 C ATOM 592 O SER A 106 -6.829 5.103 -8.489 1.00 11.25 O ATOM 593 CB SER A 106 -8.792 3.031 -10.102 1.00 10.49 C ATOM 594 OG SER A 106 -7.991 3.678 -11.063 1.00 11.19 O ATOM 0 H SER A 106 -9.613 5.303 -9.806 1.00 10.51 H new ATOM 0 HA SER A 106 -9.296 3.320 -8.088 1.00 10.24 H new ATOM 0 HB2 SER A 106 -8.449 2.138 -9.942 1.00 10.49 H new ATOM 0 HB3 SER A 106 -9.694 2.931 -10.445 1.00 10.49 H new ATOM 0 HG SER A 106 -7.988 3.229 -11.773 1.00 11.19 H new ATOM 595 N LYS A 107 -6.778 2.971 -7.831 1.00 11.72 N ATOM 596 CA LYS A 107 -5.392 3.005 -7.439 1.00 11.83 C ATOM 597 C LYS A 107 -4.499 3.427 -8.596 1.00 11.52 C ATOM 598 O LYS A 107 -3.579 4.242 -8.394 1.00 11.25 O ATOM 599 CB LYS A 107 -4.952 1.625 -6.930 1.00 14.52 C ATOM 600 CG LYS A 107 -5.541 1.243 -5.623 1.00 17.83 C ATOM 601 CD LYS A 107 -4.871 0.011 -5.013 1.00 20.99 C ATOM 602 CE LYS A 107 -5.116 -0.033 -3.524 1.00 23.90 C ATOM 603 NZ LYS A 107 -4.785 -1.346 -2.951 1.00 27.15 N ATOM 0 H LYS A 107 -7.158 2.208 -7.715 1.00 11.72 H new ATOM 0 HA LYS A 107 -5.302 3.659 -6.728 1.00 11.83 H new ATOM 0 HB2 LYS A 107 -5.193 0.956 -7.590 1.00 14.52 H new ATOM 0 HB3 LYS A 107 -3.985 1.613 -6.854 1.00 14.52 H new ATOM 0 HG2 LYS A 107 -5.463 1.988 -5.007 1.00 17.83 H new ATOM 0 HG3 LYS A 107 -6.488 1.068 -5.738 1.00 17.83 H new ATOM 0 HD2 LYS A 107 -5.219 -0.794 -5.429 1.00 20.99 H new ATOM 0 HD3 LYS A 107 -3.918 0.032 -5.190 1.00 20.99 H new ATOM 0 HE2 LYS A 107 -4.585 0.652 -3.089 1.00 23.90 H new ATOM 0 HE3 LYS A 107 -6.047 0.173 -3.344 1.00 23.90 H new ATOM 0 HZ1 LYS A 107 -4.477 -1.240 -2.123 1.00 27.15 H new ATOM 0 HZ2 LYS A 107 -5.515 -1.855 -2.932 1.00 27.15 H new ATOM 0 HZ3 LYS A 107 -4.162 -1.740 -3.450 1.00 27.15 H new ATOM 604 N ILE A 108 -4.677 2.890 -9.800 1.00 10.29 N ATOM 605 CA ILE A 108 -3.789 3.243 -10.889 1.00 10.07 C ATOM 606 C ILE A 108 -3.971 4.700 -11.305 1.00 9.58 C ATOM 607 O ILE A 108 -3.002 5.387 -11.612 1.00 10.15 O ATOM 608 CB ILE A 108 -3.856 2.264 -12.135 1.00 11.26 C ATOM 609 CG1 ILE A 108 -2.804 2.623 -13.184 1.00 12.28 C ATOM 610 CG2 ILE A 108 -5.227 2.275 -12.789 1.00 12.03 C ATOM 611 CD1 ILE A 108 -1.360 2.540 -12.698 1.00 14.49 C ATOM 0 H ILE A 108 -5.297 2.329 -10.000 1.00 10.29 H new ATOM 0 HA ILE A 108 -2.893 3.134 -10.534 1.00 10.07 H new ATOM 0 HB ILE A 108 -3.678 1.374 -11.792 1.00 11.26 H new ATOM 0 HG12 ILE A 108 -2.910 2.031 -13.945 1.00 12.28 H new ATOM 0 HG13 ILE A 108 -2.974 3.524 -13.499 1.00 12.28 H new ATOM 0 HG21 ILE A 108 -5.230 1.667 -13.545 1.00 12.03 H new ATOM 0 HG22 ILE A 108 -5.895 1.993 -12.145 1.00 12.03 H new ATOM 0 HG23 ILE A 108 -5.432 3.172 -13.096 1.00 12.03 H new ATOM 0 HD11 ILE A 108 -0.761 2.782 -13.421 1.00 14.49 H new ATOM 0 HD12 ILE A 108 -1.233 3.151 -11.955 1.00 14.49 H new ATOM 0 HD13 ILE A 108 -1.167 1.635 -12.408 1.00 14.49 H new ATOM 612 N ALA A 109 -5.207 5.177 -11.357 1.00 9.82 N ATOM 613 CA ALA A 109 -5.433 6.565 -11.749 1.00 8.91 C ATOM 614 C ALA A 109 -4.754 7.508 -10.742 1.00 8.91 C ATOM 615 O ALA A 109 -4.101 8.481 -11.123 1.00 8.37 O ATOM 616 CB ALA A 109 -6.900 6.856 -11.824 1.00 8.81 C ATOM 0 H ALA A 109 -5.916 4.727 -11.174 1.00 9.82 H new ATOM 0 HA ALA A 109 -5.048 6.709 -12.627 1.00 8.91 H new ATOM 0 HB1 ALA A 109 -7.034 7.781 -12.085 1.00 8.81 H new ATOM 0 HB2 ALA A 109 -7.313 6.272 -12.480 1.00 8.81 H new ATOM 0 HB3 ALA A 109 -7.305 6.704 -10.956 1.00 8.81 H new ATOM 617 N VAL A 110 -4.875 7.195 -9.464 1.00 8.79 N ATOM 618 CA VAL A 110 -4.290 8.022 -8.412 1.00 9.44 C ATOM 619 C VAL A 110 -2.771 7.914 -8.419 1.00 8.85 C ATOM 620 O VAL A 110 -2.065 8.929 -8.316 1.00 8.84 O ATOM 621 CB VAL A 110 -4.880 7.665 -7.057 1.00 9.44 C ATOM 622 CG1 VAL A 110 -4.141 8.390 -5.907 1.00 11.19 C ATOM 623 CG2 VAL A 110 -6.358 8.028 -7.036 1.00 10.89 C ATOM 0 H VAL A 110 -5.296 6.502 -9.178 1.00 8.79 H new ATOM 0 HA VAL A 110 -4.512 8.950 -8.589 1.00 9.44 H new ATOM 0 HB VAL A 110 -4.773 6.711 -6.921 1.00 9.44 H new ATOM 0 HG11 VAL A 110 -4.540 8.142 -5.058 1.00 11.19 H new ATOM 0 HG12 VAL A 110 -3.205 8.134 -5.911 1.00 11.19 H new ATOM 0 HG13 VAL A 110 -4.214 9.349 -6.030 1.00 11.19 H new ATOM 0 HG21 VAL A 110 -6.735 7.800 -6.172 1.00 10.89 H new ATOM 0 HG22 VAL A 110 -6.460 8.980 -7.192 1.00 10.89 H new ATOM 0 HG23 VAL A 110 -6.822 7.535 -7.731 1.00 10.89 H new ATOM 624 N HIS A 111 -2.218 6.709 -8.585 1.00 8.64 N ATOM 625 CA HIS A 111 -0.782 6.511 -8.716 1.00 8.27 C ATOM 626 C HIS A 111 -0.226 7.386 -9.845 1.00 7.80 C ATOM 627 O HIS A 111 0.788 8.081 -9.697 1.00 7.68 O ATOM 628 CB HIS A 111 -0.468 5.037 -9.003 1.00 9.14 C ATOM 629 CG HIS A 111 0.906 4.785 -9.500 1.00 9.12 C ATOM 630 ND1 HIS A 111 1.929 4.378 -8.671 1.00 11.43 N ATOM 631 CD2 HIS A 111 1.427 4.860 -10.745 1.00 8.64 C ATOM 632 CE1 HIS A 111 3.016 4.217 -9.392 1.00 10.00 C ATOM 633 NE2 HIS A 111 2.749 4.501 -10.657 1.00 10.39 N ATOM 0 H HIS A 111 -2.674 5.981 -8.624 1.00 8.64 H new ATOM 0 HA HIS A 111 -0.362 6.766 -7.880 1.00 8.27 H new ATOM 0 HB2 HIS A 111 -0.604 4.525 -8.190 1.00 9.14 H new ATOM 0 HB3 HIS A 111 -1.102 4.705 -9.657 1.00 9.14 H new ATOM 0 HD2 HIS A 111 0.974 5.109 -11.518 1.00 8.64 H new ATOM 0 HE1 HIS A 111 3.843 3.946 -9.065 1.00 10.00 H new ATOM 0 HE2 HIS A 111 3.307 4.467 -11.310 1.00 10.39 H new ATOM 634 N ASN A 112 -0.834 7.303 -11.028 1.00 8.03 N ATOM 635 CA ASN A 112 -0.346 8.047 -12.177 1.00 7.56 C ATOM 636 C ASN A 112 -0.359 9.548 -11.931 1.00 7.57 C ATOM 637 O ASN A 112 0.594 10.248 -12.289 1.00 7.96 O ATOM 638 CB ASN A 112 -1.130 7.698 -13.463 1.00 8.19 C ATOM 639 CG ASN A 112 -0.737 6.372 -14.034 1.00 9.66 C ATOM 640 OD1 ASN A 112 0.330 5.810 -13.734 1.00 8.97 O ATOM 641 ND2 ASN A 112 -1.579 5.853 -14.900 1.00 11.33 N ATOM 0 H ASN A 112 -1.529 6.821 -11.182 1.00 8.03 H new ATOM 0 HA ASN A 112 0.576 7.777 -12.308 1.00 7.56 H new ATOM 0 HB2 ASN A 112 -2.080 7.693 -13.267 1.00 8.19 H new ATOM 0 HB3 ASN A 112 -0.980 8.389 -14.127 1.00 8.19 H new ATOM 0 HD21 ASN A 112 -1.399 5.102 -15.278 1.00 11.33 H new ATOM 0 HD22 ASN A 112 -2.310 6.265 -15.088 1.00 11.33 H new ATOM 642 N PHE A 113 -1.423 10.032 -11.308 1.00 8.19 N ATOM 643 CA PHE A 113 -1.520 11.448 -10.959 1.00 8.56 C ATOM 644 C PHE A 113 -0.400 11.857 -9.996 1.00 8.45 C ATOM 645 O PHE A 113 0.277 12.876 -10.178 1.00 8.82 O ATOM 646 CB PHE A 113 -2.904 11.740 -10.394 1.00 9.58 C ATOM 647 CG PHE A 113 -3.177 13.205 -10.145 1.00 9.56 C ATOM 648 CD1 PHE A 113 -3.912 13.939 -11.063 1.00 11.39 C ATOM 649 CD2 PHE A 113 -2.738 13.824 -8.992 1.00 10.35 C ATOM 650 CE1 PHE A 113 -4.193 15.297 -10.840 1.00 11.83 C ATOM 651 CE2 PHE A 113 -3.005 15.171 -8.766 1.00 11.46 C ATOM 652 CZ PHE A 113 -3.748 15.895 -9.673 1.00 12.09 C ATOM 0 H PHE A 113 -2.103 9.559 -11.076 1.00 8.19 H new ATOM 0 HA PHE A 113 -1.403 11.984 -11.759 1.00 8.56 H new ATOM 0 HB2 PHE A 113 -3.572 11.397 -11.008 1.00 9.58 H new ATOM 0 HB3 PHE A 113 -3.010 11.256 -9.560 1.00 9.58 H new ATOM 0 HD1 PHE A 113 -4.223 13.527 -11.837 1.00 11.39 H new ATOM 0 HD2 PHE A 113 -2.260 13.337 -8.361 1.00 10.35 H new ATOM 0 HE1 PHE A 113 -4.672 15.788 -11.468 1.00 11.83 H new ATOM 0 HE2 PHE A 113 -2.680 15.585 -7.999 1.00 11.46 H new ATOM 0 HZ PHE A 113 -3.951 16.786 -9.501 1.00 12.09 H new HETATM 653 N MSE A 114 -0.214 11.083 -8.939 1.00 8.70 N HETATM 654 CA MSE A 114 0.805 11.373 -7.948 1.00 9.38 C HETATM 655 C MSE A 114 2.165 11.491 -8.590 1.00 8.22 C HETATM 656 O MSE A 114 2.962 12.396 -8.301 1.00 9.25 O HETATM 657 CB MSE A 114 0.876 10.258 -6.906 1.00 10.53 C HETATM 658 CG MSE A 114 -0.280 10.262 -5.938 1.00 10.12 C HETATM 659 SE MSE A 114 -0.263 8.663 -4.799 1.00 16.03 SE HETATM 660 CE MSE A 114 1.233 9.200 -3.681 1.00 15.98 C HETATM 0 H MSE A 114 -0.675 10.375 -8.776 1.00 8.70 H new HETATM 0 HA MSE A 114 0.563 12.213 -7.527 1.00 9.38 H new HETATM 0 HB2 MSE A 114 0.904 9.402 -7.361 1.00 10.53 H new HETATM 0 HB3 MSE A 114 1.705 10.342 -6.409 1.00 10.53 H new HETATM 0 HG2 MSE A 114 -0.238 11.057 -5.384 1.00 10.12 H new HETATM 0 HG3 MSE A 114 -1.116 10.303 -6.429 1.00 10.12 H new HETATM 0 HE1 MSE A 114 1.408 8.510 -3.022 1.00 15.98 H new HETATM 0 HE2 MSE A 114 2.020 9.327 -4.233 1.00 15.98 H new HETATM 0 HE3 MSE A 114 1.018 10.031 -3.229 1.00 15.98 H new ATOM 661 N LYS A 115 2.492 10.539 -9.460 1.00 8.11 N ATOM 662 CA LYS A 115 3.786 10.557 -10.128 1.00 9.13 C ATOM 663 C LYS A 115 3.937 11.753 -11.056 1.00 8.73 C ATOM 664 O LYS A 115 5.003 12.349 -11.133 1.00 9.78 O ATOM 665 CB LYS A 115 4.063 9.258 -10.914 1.00 9.16 C ATOM 666 CG LYS A 115 4.111 8.008 -10.068 1.00 10.52 C ATOM 667 CD LYS A 115 5.157 8.132 -8.984 1.00 11.68 C ATOM 668 CE LYS A 115 5.506 6.761 -8.441 1.00 11.80 C ATOM 669 NZ LYS A 115 6.436 6.801 -7.273 1.00 13.07 N ATOM 0 H LYS A 115 1.983 9.880 -9.675 1.00 8.11 H new ATOM 0 HA LYS A 115 4.442 10.630 -9.417 1.00 9.13 H new ATOM 0 HB2 LYS A 115 3.376 9.150 -11.590 1.00 9.16 H new ATOM 0 HB3 LYS A 115 4.908 9.351 -11.381 1.00 9.16 H new ATOM 0 HG2 LYS A 115 3.242 7.850 -9.668 1.00 10.52 H new ATOM 0 HG3 LYS A 115 4.309 7.241 -10.628 1.00 10.52 H new ATOM 0 HD2 LYS A 115 5.952 8.560 -9.339 1.00 11.68 H new ATOM 0 HD3 LYS A 115 4.826 8.697 -8.268 1.00 11.68 H new ATOM 0 HE2 LYS A 115 4.689 6.307 -8.180 1.00 11.80 H new ATOM 0 HE3 LYS A 115 5.909 6.234 -9.148 1.00 11.80 H new ATOM 0 HZ1 LYS A 115 6.730 5.979 -7.099 1.00 13.07 H new ATOM 0 HZ2 LYS A 115 7.127 7.329 -7.462 1.00 13.07 H new ATOM 0 HZ3 LYS A 115 6.006 7.119 -6.562 1.00 13.07 H new ATOM 670 N SER A 116 2.869 12.113 -11.747 1.00 9.43 N ATOM 671 CA SER A 116 2.885 13.237 -12.695 1.00 11.29 C ATOM 672 C SER A 116 3.062 14.577 -11.990 1.00 11.00 C ATOM 673 O SER A 116 3.664 15.482 -12.540 1.00 13.08 O ATOM 674 CB SER A 116 1.585 13.239 -13.495 1.00 12.66 C ATOM 675 OG SER A 116 1.578 12.154 -14.406 1.00 17.63 O ATOM 0 H SER A 116 2.108 11.717 -11.686 1.00 9.43 H new ATOM 0 HA SER A 116 3.644 13.119 -13.288 1.00 11.29 H new ATOM 0 HB2 SER A 116 0.826 13.172 -12.894 1.00 12.66 H new ATOM 0 HB3 SER A 116 1.493 14.076 -13.976 1.00 12.66 H new ATOM 0 HG SER A 116 1.306 11.462 -14.015 1.00 17.63 H new ATOM 676 N TYR A 117 2.567 14.691 -10.763 1.00 11.35 N ATOM 677 CA TYR A 117 2.557 15.965 -10.039 1.00 13.22 C ATOM 678 C TYR A 117 3.556 16.028 -8.890 1.00 13.51 C ATOM 679 O TYR A 117 3.548 16.996 -8.121 1.00 16.75 O ATOM 680 CB TYR A 117 1.116 16.304 -9.577 1.00 14.19 C ATOM 681 CG TYR A 117 0.274 16.753 -10.738 1.00 13.85 C ATOM 682 CD1 TYR A 117 -0.473 15.855 -11.474 1.00 15.44 C ATOM 683 CD2 TYR A 117 0.333 18.074 -11.188 1.00 18.10 C ATOM 684 CE1 TYR A 117 -1.197 16.243 -12.578 1.00 16.57 C ATOM 685 CE2 TYR A 117 -0.389 18.466 -12.295 1.00 18.83 C ATOM 686 CZ TYR A 117 -1.149 17.552 -12.984 1.00 18.33 C ATOM 687 OH TYR A 117 -1.859 17.925 -14.096 1.00 21.80 O ATOM 0 H TYR A 117 2.227 14.035 -10.324 1.00 11.35 H new ATOM 0 HA TYR A 117 2.855 16.646 -10.662 1.00 13.22 H new ATOM 0 HB2 TYR A 117 0.713 15.525 -9.162 1.00 14.19 H new ATOM 0 HB3 TYR A 117 1.144 17.001 -8.903 1.00 14.19 H new ATOM 0 HD1 TYR A 117 -0.487 14.962 -11.216 1.00 15.44 H new ATOM 0 HD2 TYR A 117 0.862 18.693 -10.738 1.00 18.10 H new ATOM 0 HE1 TYR A 117 -1.713 15.625 -13.043 1.00 16.57 H new ATOM 0 HE2 TYR A 117 -0.362 19.352 -12.576 1.00 18.83 H new ATOM 0 HH TYR A 117 -1.748 18.746 -14.237 1.00 21.80 H new ATOM 688 N GLY A 118 4.440 15.041 -8.790 1.00 12.95 N ATOM 689 CA GLY A 118 5.521 15.050 -7.819 1.00 12.49 C ATOM 690 C GLY A 118 5.054 14.999 -6.371 1.00 12.17 C ATOM 691 O GLY A 118 5.625 15.663 -5.502 1.00 13.32 O ATOM 0 H GLY A 118 4.427 14.341 -9.290 1.00 12.95 H new ATOM 0 HA2 GLY A 118 6.102 14.292 -7.989 1.00 12.49 H new ATOM 0 HA3 GLY A 118 6.054 15.850 -7.949 1.00 12.49 H new ATOM 692 N VAL A 119 4.044 14.179 -6.105 1.00 11.06 N ATOM 693 CA VAL A 119 3.433 14.097 -4.787 1.00 11.41 C ATOM 694 C VAL A 119 4.314 13.369 -3.786 1.00 13.41 C ATOM 695 O VAL A 119 4.630 12.187 -3.967 1.00 16.97 O ATOM 696 CB VAL A 119 2.054 13.453 -4.853 1.00 10.93 C ATOM 697 CG1 VAL A 119 1.479 13.276 -3.442 1.00 11.41 C ATOM 698 CG2 VAL A 119 1.129 14.313 -5.689 1.00 12.41 C ATOM 0 H VAL A 119 3.693 13.653 -6.687 1.00 11.06 H new ATOM 0 HA VAL A 119 3.331 15.009 -4.474 1.00 11.41 H new ATOM 0 HB VAL A 119 2.134 12.578 -5.264 1.00 10.93 H new ATOM 0 HG11 VAL A 119 0.602 12.866 -3.499 1.00 11.41 H new ATOM 0 HG12 VAL A 119 2.068 12.708 -2.921 1.00 11.41 H new ATOM 0 HG13 VAL A 119 1.403 14.142 -3.012 1.00 11.41 H new ATOM 0 HG21 VAL A 119 0.252 13.901 -5.729 1.00 12.41 H new ATOM 0 HG22 VAL A 119 1.054 15.193 -5.288 1.00 12.41 H new ATOM 0 HG23 VAL A 119 1.488 14.397 -6.586 1.00 12.41 H new ATOM 699 N ASN A 120 4.649 14.081 -2.720 1.00 12.12 N ATOM 700 CA AASN A 120 5.526 13.559 -1.674 0.20 12.64 C ATOM 701 CA BASN A 120 5.552 13.662 -1.670 0.80 13.42 C ATOM 702 C ASN A 120 4.841 13.512 -0.322 1.00 12.75 C ATOM 703 O ASN A 120 5.496 13.382 0.711 1.00 16.73 O ATOM 704 CB AASN A 120 6.787 14.417 -1.563 0.20 12.23 C ATOM 705 CB BASN A 120 6.748 14.663 -1.560 0.80 13.72 C ATOM 706 CG AASN A 120 7.798 14.120 -2.647 0.20 11.81 C ATOM 707 CG BASN A 120 6.327 16.167 -1.386 0.80 13.19 C ATOM 708 OD1AASN A 120 8.627 14.967 -2.972 0.20 11.82 O ATOM 709 OD1BASN A 120 5.153 16.498 -1.354 0.80 13.56 O ATOM 710 ND2AASN A 120 7.737 12.919 -3.213 0.20 10.54 N ATOM 711 ND2BASN A 120 7.311 17.066 -1.281 0.80 14.14 N ATOM 0 H AASN A 120 4.375 14.884 -2.579 0.20 12.12 H new ATOM 0 H BASN A 120 4.334 14.870 -2.585 0.80 12.12 H new ATOM 0 HA AASN A 120 5.758 12.652 -1.928 0.20 13.42 H new ATOM 0 HA BASN A 120 5.893 12.785 -1.907 0.80 13.42 H new ATOM 0 HB2AASN A 120 6.540 15.354 -1.606 0.20 13.72 H new ATOM 0 HB2BASN A 120 7.302 14.405 -0.807 0.80 13.72 H new ATOM 0 HB3AASN A 120 7.197 14.271 -0.696 0.20 13.72 H new ATOM 0 HB3BASN A 120 7.296 14.583 -2.356 0.80 13.72 H new ATOM 0 HD21AASN A 120 8.293 12.708 -3.834 0.20 14.14 H new ATOM 0 HD21BASN A 120 7.123 17.900 -1.188 0.80 14.14 H new ATOM 0 HD22AASN A 120 7.142 12.353 -2.958 0.20 14.14 H new ATOM 0 HD22BASN A 120 8.132 16.810 -1.306 0.80 14.14 H new ATOM 712 N PHE A 121 3.511 13.588 -0.327 1.00 10.55 N ATOM 713 CA PHE A 121 2.698 13.572 0.895 1.00 10.41 C ATOM 714 C PHE A 121 1.628 12.484 0.821 1.00 9.44 C ATOM 715 O PHE A 121 1.341 11.970 -0.265 1.00 10.79 O ATOM 716 CB PHE A 121 2.033 14.949 1.125 1.00 11.13 C ATOM 717 CG PHE A 121 1.381 15.536 -0.100 1.00 9.83 C ATOM 718 CD1 PHE A 121 0.114 15.148 -0.489 1.00 10.11 C ATOM 719 CD2 PHE A 121 2.032 16.508 -0.854 1.00 10.74 C ATOM 720 CE1 PHE A 121 -0.478 15.698 -1.610 1.00 10.67 C ATOM 721 CE2 PHE A 121 1.425 17.046 -1.971 1.00 10.77 C ATOM 722 CZ PHE A 121 0.201 16.651 -2.349 1.00 11.71 C ATOM 0 H PHE A 121 3.047 13.651 -1.048 1.00 10.55 H new ATOM 0 HA PHE A 121 3.286 13.379 1.642 1.00 10.41 H new ATOM 0 HB2 PHE A 121 1.365 14.861 1.823 1.00 11.13 H new ATOM 0 HB3 PHE A 121 2.704 15.570 1.450 1.00 11.13 H new ATOM 0 HD1 PHE A 121 -0.345 14.510 0.008 1.00 10.11 H new ATOM 0 HD2 PHE A 121 2.880 16.796 -0.604 1.00 10.74 H new ATOM 0 HE1 PHE A 121 -1.330 15.429 -1.867 1.00 10.67 H new ATOM 0 HE2 PHE A 121 1.872 17.692 -2.469 1.00 10.77 H new ATOM 0 HZ PHE A 121 -0.192 17.017 -3.108 1.00 11.71 H new ATOM 723 N PRO A 122 1.013 12.129 1.944 1.00 9.47 N ATOM 724 CA PRO A 122 -0.015 11.091 1.955 1.00 10.02 C ATOM 725 C PRO A 122 -1.225 11.375 1.075 1.00 10.14 C ATOM 726 O PRO A 122 -1.792 12.461 1.141 1.00 9.97 O ATOM 727 CB PRO A 122 -0.396 11.007 3.442 1.00 11.21 C ATOM 728 CG PRO A 122 0.805 11.474 4.139 1.00 10.65 C ATOM 729 CD PRO A 122 1.385 12.542 3.309 1.00 10.60 C ATOM 0 HA PRO A 122 0.319 10.261 1.579 1.00 10.02 H new ATOM 0 HB2 PRO A 122 -1.164 11.564 3.644 1.00 11.21 H new ATOM 0 HB3 PRO A 122 -0.627 10.101 3.699 1.00 11.21 H new ATOM 0 HG2 PRO A 122 0.583 11.806 5.023 1.00 10.65 H new ATOM 0 HG3 PRO A 122 1.438 10.749 4.259 1.00 10.65 H new ATOM 0 HD2 PRO A 122 1.020 13.412 3.534 1.00 10.60 H new ATOM 0 HD3 PRO A 122 2.347 12.601 3.418 1.00 10.60 H new ATOM 730 N VAL A 123 -1.637 10.372 0.314 1.00 10.20 N ATOM 731 CA VAL A 123 -2.819 10.401 -0.517 1.00 9.35 C ATOM 732 C VAL A 123 -3.638 9.181 -0.179 1.00 9.65 C ATOM 733 O VAL A 123 -3.095 8.079 -0.163 1.00 11.21 O ATOM 734 CB VAL A 123 -2.428 10.356 -2.010 1.00 9.65 C ATOM 735 CG1 VAL A 123 -3.638 10.119 -2.893 1.00 11.46 C ATOM 736 CG2 VAL A 123 -1.696 11.642 -2.405 1.00 11.01 C ATOM 0 H VAL A 123 -1.214 9.625 0.269 1.00 10.20 H new ATOM 0 HA VAL A 123 -3.320 11.216 -0.358 1.00 9.35 H new ATOM 0 HB VAL A 123 -1.826 9.607 -2.143 1.00 9.65 H new ATOM 0 HG11 VAL A 123 -3.361 10.096 -3.822 1.00 11.46 H new ATOM 0 HG12 VAL A 123 -4.050 9.273 -2.658 1.00 11.46 H new ATOM 0 HG13 VAL A 123 -4.278 10.836 -2.765 1.00 11.46 H new ATOM 0 HG21 VAL A 123 -1.456 11.602 -3.344 1.00 11.01 H new ATOM 0 HG22 VAL A 123 -2.276 12.405 -2.252 1.00 11.01 H new ATOM 0 HG23 VAL A 123 -0.892 11.735 -1.870 1.00 11.01 H new ATOM 737 N VAL A 124 -4.919 9.348 0.092 1.00 9.43 N ATOM 738 CA VAL A 124 -5.812 8.231 0.416 1.00 10.14 C ATOM 739 C VAL A 124 -6.999 8.199 -0.533 1.00 10.85 C ATOM 740 O VAL A 124 -7.328 9.177 -1.186 1.00 11.21 O ATOM 741 CB VAL A 124 -6.294 8.279 1.877 1.00 10.80 C ATOM 742 CG1 VAL A 124 -5.112 8.129 2.822 1.00 12.01 C ATOM 743 CG2 VAL A 124 -7.089 9.523 2.169 1.00 11.45 C ATOM 0 H VAL A 124 -5.306 10.116 0.095 1.00 9.43 H new ATOM 0 HA VAL A 124 -5.299 7.415 0.306 1.00 10.14 H new ATOM 0 HB VAL A 124 -6.896 7.532 2.020 1.00 10.80 H new ATOM 0 HG11 VAL A 124 -5.425 8.160 3.740 1.00 12.01 H new ATOM 0 HG12 VAL A 124 -4.673 7.279 2.659 1.00 12.01 H new ATOM 0 HG13 VAL A 124 -4.483 8.851 2.671 1.00 12.01 H new ATOM 0 HG21 VAL A 124 -7.373 9.515 3.096 1.00 11.45 H new ATOM 0 HG22 VAL A 124 -6.538 10.305 2.007 1.00 11.45 H new ATOM 0 HG23 VAL A 124 -7.869 9.552 1.592 1.00 11.45 H new ATOM 744 N LEU A 125 -7.633 7.037 -0.601 1.00 11.70 N ATOM 745 CA LEU A 125 -8.685 6.762 -1.575 1.00 12.01 C ATOM 746 C LEU A 125 -10.065 6.672 -0.912 1.00 11.42 C ATOM 747 O LEU A 125 -10.357 5.698 -0.188 1.00 13.61 O ATOM 748 CB ALEU A 125 -8.380 5.433 -2.290 0.60 13.15 C ATOM 749 CB BLEU A 125 -8.367 5.494 -2.368 0.40 13.17 C ATOM 750 CG ALEU A 125 -6.986 5.259 -2.904 0.60 13.50 C ATOM 751 CG BLEU A 125 -7.439 5.752 -3.561 0.40 14.42 C ATOM 752 CD1ALEU A 125 -6.685 3.819 -3.337 0.60 14.99 C ATOM 753 CD1BLEU A 125 -6.029 6.074 -3.096 0.40 15.31 C ATOM 754 CD2ALEU A 125 -6.865 6.180 -4.078 0.60 15.19 C ATOM 755 CD2BLEU A 125 -7.452 4.577 -4.508 0.40 14.45 C ATOM 0 H LEU A 125 -7.464 6.376 -0.077 1.00 11.70 H new ATOM 0 HA LEU A 125 -8.704 7.495 -2.210 1.00 12.01 H new ATOM 0 HB2ALEU A 125 -8.518 4.713 -1.654 0.60 13.17 H new ATOM 0 HB2BLEU A 125 -7.954 4.844 -1.778 0.40 13.17 H new ATOM 0 HB3ALEU A 125 -9.034 5.317 -2.997 0.60 13.17 H new ATOM 0 HB3BLEU A 125 -9.195 5.102 -2.687 0.40 13.17 H new ATOM 0 HG ALEU A 125 -6.335 5.476 -2.218 0.60 14.42 H new ATOM 0 HG BLEU A 125 -7.770 6.526 -4.042 0.40 14.42 H new ATOM 0 HD11ALEU A 125 -5.793 3.774 -3.716 0.60 15.31 H new ATOM 0 HD11BLEU A 125 -5.462 6.233 -3.867 0.40 15.31 H new ATOM 0 HD12ALEU A 125 -6.739 3.231 -2.567 0.60 15.31 H new ATOM 0 HD12BLEU A 125 -6.045 6.867 -2.538 0.40 15.31 H new ATOM 0 HD13ALEU A 125 -7.333 3.539 -4.003 0.60 15.31 H new ATOM 0 HD13BLEU A 125 -5.678 5.328 -2.586 0.40 15.31 H new ATOM 0 HD21ALEU A 125 -5.987 6.081 -4.478 0.60 14.45 H new ATOM 0 HD21BLEU A 125 -6.861 4.757 -5.255 0.40 14.45 H new ATOM 0 HD22ALEU A 125 -7.545 5.960 -4.734 0.60 14.45 H new ATOM 0 HD22BLEU A 125 -7.150 3.782 -4.042 0.40 14.45 H new ATOM 0 HD23ALEU A 125 -6.985 7.097 -3.784 0.60 14.45 H new ATOM 0 HD23BLEU A 125 -8.354 4.436 -4.836 0.40 14.45 H new ATOM 756 N ASP A 126 -10.910 7.673 -1.132 1.00 12.37 N ATOM 757 CA ASP A 126 -12.297 7.653 -0.652 1.00 12.80 C ATOM 758 C ASP A 126 -13.137 6.929 -1.702 1.00 13.67 C ATOM 759 O ASP A 126 -13.907 7.525 -2.451 1.00 14.89 O ATOM 760 CB ASP A 126 -12.777 9.079 -0.419 1.00 12.94 C ATOM 761 CG ASP A 126 -14.095 9.172 0.275 1.00 13.96 C ATOM 762 OD1 ASP A 126 -14.474 8.263 1.053 1.00 15.77 O ATOM 763 OD2 ASP A 126 -14.765 10.205 0.123 1.00 16.05 O ATOM 0 H ASP A 126 -10.699 8.386 -1.564 1.00 12.37 H new ATOM 0 HA ASP A 126 -12.375 7.185 0.194 1.00 12.80 H new ATOM 0 HB2 ASP A 126 -12.112 9.552 0.105 1.00 12.94 H new ATOM 0 HB3 ASP A 126 -12.840 9.533 -1.274 1.00 12.94 H new ATOM 764 N THR A 127 -12.981 5.626 -1.718 1.00 15.35 N ATOM 765 CA THR A 127 -13.476 4.816 -2.814 1.00 17.14 C ATOM 766 C THR A 127 -14.999 4.850 -2.962 1.00 17.58 C ATOM 767 O THR A 127 -15.515 4.794 -4.092 1.00 18.95 O ATOM 768 CB THR A 127 -12.957 3.376 -2.589 1.00 17.74 C ATOM 769 OG1ATHR A 127 -13.666 2.732 -1.518 0.50 19.70 O ATOM 770 OG1BTHR A 127 -11.521 3.336 -2.599 0.50 19.70 O ATOM 771 CG2ATHR A 127 -11.474 3.307 -2.256 0.50 18.20 C ATOM 772 CG2BTHR A 127 -13.444 2.382 -3.633 0.50 18.20 C ATOM 0 H THR A 127 -12.586 5.181 -1.097 1.00 15.35 H new ATOM 0 HA THR A 127 -13.145 5.180 -3.650 1.00 17.14 H new ATOM 0 HB ATHR A 127 -13.108 2.925 -3.434 0.50 17.74 H new ATOM 0 HB BTHR A 127 -13.312 3.118 -1.724 0.50 17.74 H new ATOM 0 HG1ATHR A 127 -13.370 1.953 -1.414 0.50 19.70 H new ATOM 0 HG1BTHR A 127 -11.247 3.297 -3.392 0.50 19.70 H new ATOM 0 HG21ATHR A 127 -11.214 2.381 -2.128 0.50 18.20 H new ATOM 0 HG21BTHR A 127 -13.085 1.503 -3.435 0.50 18.20 H new ATOM 0 HG22ATHR A 127 -10.960 3.689 -2.985 0.50 18.20 H new ATOM 0 HG22BTHR A 127 -14.413 2.346 -3.618 0.50 18.20 H new ATOM 0 HG23ATHR A 127 -11.301 3.807 -1.443 0.50 18.20 H new ATOM 0 HG23BTHR A 127 -13.145 2.663 -4.512 0.50 18.20 H new ATOM 773 N ASP A 128 -15.712 4.948 -1.847 1.00 17.88 N ATOM 774 CA ASP A 128 -17.183 4.966 -1.883 1.00 18.76 C ATOM 775 C ASP A 128 -17.800 6.302 -1.469 1.00 18.89 C ATOM 776 O ASP A 128 -18.982 6.371 -1.164 1.00 19.34 O ATOM 777 CB AASP A 128 -17.785 3.801 -1.095 0.50 19.88 C ATOM 778 CB BASP A 128 -17.726 3.878 -0.949 0.50 20.39 C ATOM 779 CG AASP A 128 -17.427 3.830 0.350 0.50 20.07 C ATOM 780 CG BASP A 128 -17.112 2.517 -1.216 0.50 21.53 C ATOM 781 OD1AASP A 128 -16.867 4.856 0.803 0.50 20.82 O ATOM 782 OD1BASP A 128 -17.046 2.126 -2.399 0.50 23.99 O ATOM 783 OD2AASP A 128 -17.664 2.883 1.123 0.50 22.65 O ATOM 784 OD2BASP A 128 -16.687 1.767 -0.308 0.50 24.25 O ATOM 0 H ASP A 128 -15.372 5.005 -1.059 1.00 17.88 H new ATOM 0 HA ASP A 128 -17.417 4.850 -2.817 1.00 18.76 H new ATOM 0 HB2AASP A 128 -18.751 3.821 -1.184 0.50 20.39 H new ATOM 0 HB2BASP A 128 -17.554 4.131 -0.029 0.50 20.39 H new ATOM 0 HB3AASP A 128 -17.482 2.965 -1.482 0.50 20.39 H new ATOM 0 HB3BASP A 128 -18.689 3.820 -1.052 0.50 20.39 H new ATOM 785 N ARG A 129 -16.986 7.355 -1.453 1.00 17.24 N ATOM 786 CA ARG A 129 -17.427 8.716 -1.125 1.00 18.93 C ATOM 787 C ARG A 129 -17.971 8.874 0.298 1.00 16.87 C ATOM 788 O ARG A 129 -18.628 9.858 0.597 1.00 16.96 O ATOM 789 CB ARG A 129 -18.436 9.259 -2.158 1.00 21.69 C ATOM 790 CG ARG A 129 -17.924 9.246 -3.586 1.00 25.38 C ATOM 791 CD ARG A 129 -19.045 9.277 -4.622 1.00 28.54 C ATOM 792 NE ARG A 129 -19.893 10.460 -4.463 1.00 31.36 N ATOM 793 CZ ARG A 129 -19.658 11.652 -5.020 1.00 33.00 C ATOM 794 NH1 ARG A 129 -18.592 11.849 -5.801 1.00 33.49 N ATOM 795 NH2 ARG A 129 -20.499 12.659 -4.795 1.00 34.14 N ATOM 0 H ARG A 129 -16.147 7.301 -1.635 1.00 17.24 H new ATOM 0 HA ARG A 129 -16.620 9.253 -1.166 1.00 18.93 H new ATOM 0 HB2 ARG A 129 -19.249 8.732 -2.111 1.00 21.69 H new ATOM 0 HB3 ARG A 129 -18.673 10.168 -1.918 1.00 21.69 H new ATOM 0 HG2 ARG A 129 -17.343 10.010 -3.723 1.00 25.38 H new ATOM 0 HG3 ARG A 129 -17.385 8.451 -3.724 1.00 25.38 H new ATOM 0 HD2 ARG A 129 -18.663 9.269 -5.514 1.00 28.54 H new ATOM 0 HD3 ARG A 129 -19.586 8.476 -4.538 1.00 28.54 H new ATOM 0 HE ARG A 129 -20.596 10.382 -3.974 1.00 31.36 H new ATOM 0 HH11 ARG A 129 -18.044 11.203 -5.952 1.00 33.49 H new ATOM 0 HH12 ARG A 129 -18.454 12.621 -6.153 1.00 33.49 H new ATOM 0 HH21 ARG A 129 -21.188 12.540 -4.294 1.00 34.14 H new ATOM 0 HH22 ARG A 129 -20.353 13.428 -5.150 1.00 34.14 H new ATOM 796 N GLN A 130 -17.658 7.962 1.210 1.00 16.62 N ATOM 797 CA GLN A 130 -18.181 8.076 2.570 1.00 17.96 C ATOM 798 C GLN A 130 -17.546 9.251 3.306 1.00 15.68 C ATOM 799 O GLN A 130 -18.201 9.923 4.087 1.00 15.62 O ATOM 800 CB GLN A 130 -17.959 6.783 3.366 1.00 21.50 C ATOM 801 CG GLN A 130 -18.755 5.592 2.833 1.00 26.57 C ATOM 802 CD GLN A 130 -20.239 5.707 3.050 1.00 29.40 C ATOM 803 OE1 GLN A 130 -20.701 5.927 4.180 1.00 34.25 O ATOM 804 NE2 GLN A 130 -21.009 5.550 1.969 1.00 33.58 N ATOM 0 H GLN A 130 -17.154 7.280 1.068 1.00 16.62 H new ATOM 0 HA GLN A 130 -19.136 8.232 2.496 1.00 17.96 H new ATOM 0 HB2 GLN A 130 -17.014 6.563 3.354 1.00 21.50 H new ATOM 0 HB3 GLN A 130 -18.202 6.937 4.292 1.00 21.50 H new ATOM 0 HG2 GLN A 130 -18.582 5.497 1.883 1.00 26.57 H new ATOM 0 HG3 GLN A 130 -18.436 4.783 3.262 1.00 26.57 H new ATOM 0 HE21 GLN A 130 -20.649 5.399 1.203 1.00 33.58 H new ATOM 0 HE22 GLN A 130 -21.865 5.600 2.040 1.00 33.58 H new ATOM 805 N VAL A 131 -16.265 9.486 3.081 1.00 14.16 N ATOM 806 CA VAL A 131 -15.597 10.579 3.776 1.00 13.64 C ATOM 807 C VAL A 131 -15.978 11.933 3.166 1.00 13.75 C ATOM 808 O VAL A 131 -16.180 12.904 3.891 1.00 12.80 O ATOM 809 CB VAL A 131 -14.086 10.351 3.803 1.00 13.21 C ATOM 810 CG1 VAL A 131 -13.330 11.454 4.568 1.00 14.04 C ATOM 811 CG2 VAL A 131 -13.766 9.014 4.462 1.00 14.39 C ATOM 0 H VAL A 131 -15.769 9.036 2.541 1.00 14.16 H new ATOM 0 HA VAL A 131 -15.900 10.596 4.697 1.00 13.64 H new ATOM 0 HB VAL A 131 -13.794 10.363 2.878 1.00 13.21 H new ATOM 0 HG11 VAL A 131 -12.379 11.263 4.556 1.00 14.04 H new ATOM 0 HG12 VAL A 131 -13.493 12.311 4.145 1.00 14.04 H new ATOM 0 HG13 VAL A 131 -13.642 11.483 5.486 1.00 14.04 H new ATOM 0 HG21 VAL A 131 -12.805 8.880 4.473 1.00 14.39 H new ATOM 0 HG22 VAL A 131 -14.103 9.012 5.372 1.00 14.39 H new ATOM 0 HG23 VAL A 131 -14.186 8.297 3.961 1.00 14.39 H new ATOM 812 N LEU A 132 -16.106 11.997 1.847 1.00 12.55 N ATOM 813 CA LEU A 132 -16.672 13.161 1.177 1.00 14.08 C ATOM 814 C LEU A 132 -18.000 13.530 1.809 1.00 14.01 C ATOM 815 O LEU A 132 -18.268 14.694 2.118 1.00 14.02 O ATOM 816 CB LEU A 132 -16.887 12.858 -0.316 1.00 15.89 C ATOM 817 CG LEU A 132 -17.486 13.964 -1.187 1.00 17.47 C ATOM 818 CD1 LEU A 132 -16.397 14.727 -1.900 1.00 18.82 C ATOM 819 CD2 LEU A 132 -18.483 13.396 -2.210 1.00 19.96 C ATOM 0 H LEU A 132 -15.867 11.366 1.314 1.00 12.55 H new ATOM 0 HA LEU A 132 -16.054 13.903 1.270 1.00 14.08 H new ATOM 0 HB2 LEU A 132 -16.030 12.610 -0.697 1.00 15.89 H new ATOM 0 HB3 LEU A 132 -17.463 12.080 -0.383 1.00 15.89 H new ATOM 0 HG LEU A 132 -17.966 14.569 -0.600 1.00 17.47 H new ATOM 0 HD11 LEU A 132 -16.794 15.423 -2.447 1.00 18.82 H new ATOM 0 HD12 LEU A 132 -15.802 15.129 -1.247 1.00 18.82 H new ATOM 0 HD13 LEU A 132 -15.893 14.120 -2.465 1.00 18.82 H new ATOM 0 HD21 LEU A 132 -18.845 14.119 -2.746 1.00 19.96 H new ATOM 0 HD22 LEU A 132 -18.029 12.762 -2.787 1.00 19.96 H new ATOM 0 HD23 LEU A 132 -19.205 12.947 -1.743 1.00 19.96 H new ATOM 820 N ASP A 133 -18.857 12.537 1.994 1.00 14.71 N ATOM 821 CA ASP A 133 -20.169 12.793 2.584 1.00 15.34 C ATOM 822 C ASP A 133 -20.087 13.236 4.044 1.00 14.55 C ATOM 823 O ASP A 133 -20.798 14.151 4.448 1.00 15.09 O ATOM 824 CB ASP A 133 -21.025 11.529 2.479 1.00 18.21 C ATOM 825 CG ASP A 133 -21.506 11.260 1.064 1.00 22.01 C ATOM 826 OD1 ASP A 133 -21.427 12.150 0.187 1.00 24.53 O ATOM 827 OD2 ASP A 133 -21.991 10.149 0.745 1.00 26.45 O ATOM 0 H ASP A 133 -18.705 11.716 1.789 1.00 14.71 H new ATOM 0 HA ASP A 133 -20.572 13.523 2.088 1.00 15.34 H new ATOM 0 HB2 ASP A 133 -20.511 10.768 2.791 1.00 18.21 H new ATOM 0 HB3 ASP A 133 -21.792 11.613 3.066 1.00 18.21 H new ATOM 828 N ALA A 134 -19.206 12.632 4.820 1.00 14.31 N ATOM 829 CA ALA A 134 -19.010 13.004 6.213 1.00 14.74 C ATOM 830 C ALA A 134 -18.551 14.448 6.376 1.00 15.23 C ATOM 831 O ALA A 134 -18.870 15.099 7.385 1.00 16.74 O ATOM 832 CB ALA A 134 -18.019 12.056 6.895 1.00 15.75 C ATOM 0 H ALA A 134 -18.700 11.990 4.554 1.00 14.31 H new ATOM 0 HA ALA A 134 -19.876 12.926 6.644 1.00 14.74 H new ATOM 0 HB1 ALA A 134 -17.903 12.321 7.821 1.00 15.75 H new ATOM 0 HB2 ALA A 134 -18.361 11.149 6.859 1.00 15.75 H new ATOM 0 HB3 ALA A 134 -17.165 12.097 6.438 1.00 15.75 H new ATOM 833 N TYR A 135 -17.775 14.940 5.403 1.00 13.25 N ATOM 834 CA TYR A 135 -17.264 16.307 5.424 1.00 12.59 C ATOM 835 C TYR A 135 -18.163 17.277 4.657 1.00 12.55 C ATOM 836 O TYR A 135 -17.875 18.477 4.588 1.00 13.35 O ATOM 837 CB TYR A 135 -15.803 16.351 4.917 1.00 12.00 C ATOM 838 CG TYR A 135 -14.828 15.985 6.018 1.00 11.68 C ATOM 839 CD1 TYR A 135 -14.618 14.667 6.384 1.00 11.88 C ATOM 840 CD2 TYR A 135 -14.184 16.959 6.734 1.00 10.76 C ATOM 841 CE1 TYR A 135 -13.785 14.330 7.419 1.00 12.18 C ATOM 842 CE2 TYR A 135 -13.363 16.648 7.781 1.00 11.82 C ATOM 843 CZ TYR A 135 -13.145 15.335 8.129 1.00 12.18 C ATOM 844 OH TYR A 135 -12.323 15.078 9.209 1.00 13.61 O ATOM 0 H TYR A 135 -17.533 14.486 4.714 1.00 13.25 H new ATOM 0 HA TYR A 135 -17.271 16.606 6.347 1.00 12.59 H new ATOM 0 HB2 TYR A 135 -15.698 15.738 4.172 1.00 12.00 H new ATOM 0 HB3 TYR A 135 -15.600 17.239 4.584 1.00 12.00 H new ATOM 0 HD1 TYR A 135 -15.054 13.992 5.915 1.00 11.88 H new ATOM 0 HD2 TYR A 135 -14.308 17.851 6.503 1.00 10.76 H new ATOM 0 HE1 TYR A 135 -13.650 13.437 7.643 1.00 12.18 H new ATOM 0 HE2 TYR A 135 -12.949 17.328 8.261 1.00 11.82 H new ATOM 0 HH TYR A 135 -12.569 14.369 9.586 1.00 13.61 H new ATOM 845 N ASP A 136 -19.271 16.773 4.118 1.00 12.92 N ATOM 846 CA ASP A 136 -20.237 17.587 3.383 1.00 13.66 C ATOM 847 C ASP A 136 -19.581 18.375 2.250 1.00 13.03 C ATOM 848 O ASP A 136 -19.870 19.558 2.031 1.00 14.39 O ATOM 849 CB ASP A 136 -21.010 18.509 4.347 1.00 14.13 C ATOM 850 CG ASP A 136 -22.294 19.041 3.750 1.00 17.27 C ATOM 851 OD1 ASP A 136 -22.869 18.401 2.844 1.00 18.78 O ATOM 852 OD2 ASP A 136 -22.808 20.119 4.134 1.00 16.81 O ATOM 0 H ASP A 136 -19.485 15.942 4.169 1.00 12.92 H new ATOM 0 HA ASP A 136 -20.873 16.986 2.965 1.00 13.66 H new ATOM 0 HB2 ASP A 136 -21.215 18.021 5.160 1.00 14.13 H new ATOM 0 HB3 ASP A 136 -20.443 19.254 4.599 1.00 14.13 H new ATOM 853 N VAL A 137 -18.702 17.707 1.514 1.00 13.15 N ATOM 854 CA VAL A 137 -17.962 18.343 0.429 1.00 12.78 C ATOM 855 C VAL A 137 -18.797 18.353 -0.838 1.00 14.72 C ATOM 856 O VAL A 137 -19.373 17.340 -1.205 1.00 16.42 O ATOM 857 CB VAL A 137 -16.607 17.627 0.171 1.00 13.50 C ATOM 858 CG1 VAL A 137 -15.904 18.172 -1.088 1.00 13.43 C ATOM 859 CG2 VAL A 137 -15.705 17.765 1.359 1.00 13.58 C ATOM 0 H VAL A 137 -18.517 16.875 1.628 1.00 13.15 H new ATOM 0 HA VAL A 137 -17.772 19.257 0.693 1.00 12.78 H new ATOM 0 HB VAL A 137 -16.800 16.688 0.024 1.00 13.50 H new ATOM 0 HG11 VAL A 137 -15.064 17.704 -1.218 1.00 13.43 H new ATOM 0 HG12 VAL A 137 -16.473 18.035 -1.861 1.00 13.43 H new ATOM 0 HG13 VAL A 137 -15.732 19.120 -0.978 1.00 13.43 H new ATOM 0 HG21 VAL A 137 -14.865 17.313 1.182 1.00 13.58 H new ATOM 0 HG22 VAL A 137 -15.537 18.705 1.530 1.00 13.58 H new ATOM 0 HG23 VAL A 137 -16.129 17.366 2.135 1.00 13.58 H new ATOM 860 N SER A 138 -18.827 19.493 -1.509 1.00 14.70 N ATOM 861 CA SER A 138 -19.496 19.587 -2.807 1.00 16.88 C ATOM 862 C SER A 138 -18.496 19.982 -3.913 1.00 17.60 C ATOM 863 O SER A 138 -18.047 19.096 -4.630 1.00 17.66 O ATOM 864 CB ASER A 138 -20.712 20.537 -2.721 0.50 17.07 C ATOM 865 CB BSER A 138 -20.740 20.476 -2.758 0.50 17.01 C ATOM 866 OG ASER A 138 -21.785 19.989 -1.957 0.50 17.91 O ATOM 867 OG BSER A 138 -21.369 20.491 -4.028 0.50 17.47 O ATOM 0 H SER A 138 -18.468 20.225 -1.236 1.00 14.70 H new ATOM 0 HA SER A 138 -19.841 18.714 -3.051 1.00 16.88 H new ATOM 0 HB2ASER A 138 -20.434 21.377 -2.325 0.50 17.01 H new ATOM 0 HB2BSER A 138 -21.357 20.147 -2.086 0.50 17.01 H new ATOM 0 HB3ASER A 138 -21.026 20.736 -3.617 0.50 17.01 H new ATOM 0 HB3BSER A 138 -20.494 21.378 -2.499 0.50 17.01 H new ATOM 0 HG ASER A 138 -22.422 20.536 -1.935 0.50 17.47 H new ATOM 0 HG BSER A 138 -22.052 20.979 -3.997 0.50 17.47 H new ATOM 868 N PRO A 139 -18.092 21.245 -4.048 1.00 17.85 N ATOM 869 CA PRO A 139 -17.115 21.543 -5.093 1.00 18.21 C ATOM 870 C PRO A 139 -15.731 21.008 -4.729 1.00 16.47 C ATOM 871 O PRO A 139 -15.383 20.880 -3.533 1.00 15.79 O ATOM 872 CB PRO A 139 -17.098 23.064 -5.124 1.00 19.85 C ATOM 873 CG PRO A 139 -17.334 23.431 -3.771 1.00 19.48 C ATOM 874 CD PRO A 139 -18.419 22.463 -3.290 1.00 18.41 C ATOM 0 HA PRO A 139 -17.342 21.137 -5.944 1.00 18.21 H new ATOM 0 HB2 PRO A 139 -16.247 23.404 -5.442 1.00 19.85 H new ATOM 0 HB3 PRO A 139 -17.783 23.416 -5.714 1.00 19.85 H new ATOM 0 HG2 PRO A 139 -16.528 23.350 -3.238 1.00 19.48 H new ATOM 0 HG3 PRO A 139 -17.628 24.353 -3.702 1.00 19.48 H new ATOM 0 HD2 PRO A 139 -18.378 22.317 -2.332 1.00 18.41 H new ATOM 0 HD3 PRO A 139 -19.311 22.788 -3.490 1.00 18.41 H new ATOM 875 N LEU A 140 -14.969 20.686 -5.765 1.00 16.72 N ATOM 876 CA LEU A 140 -13.566 20.289 -5.626 1.00 15.27 C ATOM 877 C LEU A 140 -12.672 21.356 -6.239 1.00 14.39 C ATOM 878 O LEU A 140 -12.983 21.886 -7.312 1.00 15.92 O ATOM 879 CB LEU A 140 -13.279 18.967 -6.326 1.00 16.14 C ATOM 880 CG LEU A 140 -14.070 17.756 -5.836 1.00 16.29 C ATOM 881 CD1 LEU A 140 -13.697 16.508 -6.604 1.00 18.20 C ATOM 882 CD2 LEU A 140 -13.873 17.538 -4.355 1.00 17.10 C ATOM 0 H LEU A 140 -15.250 20.690 -6.578 1.00 16.72 H new ATOM 0 HA LEU A 140 -13.386 20.185 -4.678 1.00 15.27 H new ATOM 0 HB2 LEU A 140 -13.452 19.080 -7.274 1.00 16.14 H new ATOM 0 HB3 LEU A 140 -12.334 18.772 -6.232 1.00 16.14 H new ATOM 0 HG LEU A 140 -15.009 17.941 -5.996 1.00 16.29 H new ATOM 0 HD11 LEU A 140 -14.214 15.757 -6.272 1.00 18.20 H new ATOM 0 HD12 LEU A 140 -13.886 16.639 -7.546 1.00 18.20 H new ATOM 0 HD13 LEU A 140 -12.751 16.326 -6.487 1.00 18.20 H new ATOM 0 HD21 LEU A 140 -14.385 16.765 -4.071 1.00 17.10 H new ATOM 0 HD22 LEU A 140 -12.932 17.387 -4.172 1.00 17.10 H new ATOM 0 HD23 LEU A 140 -14.175 18.322 -3.869 1.00 17.10 H new ATOM 883 N PRO A 141 -11.555 21.694 -5.603 1.00 11.66 N ATOM 884 CA PRO A 141 -11.141 21.167 -4.298 1.00 11.06 C ATOM 885 C PRO A 141 -11.862 21.816 -3.129 1.00 10.02 C ATOM 886 O PRO A 141 -12.332 22.944 -3.245 1.00 11.40 O ATOM 887 CB PRO A 141 -9.658 21.547 -4.230 1.00 11.86 C ATOM 888 CG PRO A 141 -9.576 22.798 -5.047 1.00 12.74 C ATOM 889 CD PRO A 141 -10.580 22.667 -6.137 1.00 12.52 C ATOM 0 HA PRO A 141 -11.334 20.219 -4.229 1.00 11.06 H new ATOM 0 HB2 PRO A 141 -9.370 21.698 -3.316 1.00 11.86 H new ATOM 0 HB3 PRO A 141 -9.093 20.847 -4.593 1.00 11.86 H new ATOM 0 HG2 PRO A 141 -9.761 23.578 -4.501 1.00 12.74 H new ATOM 0 HG3 PRO A 141 -8.685 22.912 -5.412 1.00 12.74 H new ATOM 0 HD2 PRO A 141 -11.000 23.518 -6.338 1.00 12.52 H new ATOM 0 HD3 PRO A 141 -10.174 22.350 -6.959 1.00 12.52 H new ATOM 890 N THR A 142 -11.930 21.093 -2.012 1.00 10.16 N ATOM 891 CA THR A 142 -12.240 21.666 -0.715 1.00 10.88 C ATOM 892 C THR A 142 -11.180 21.233 0.245 1.00 10.06 C ATOM 893 O THR A 142 -10.787 20.070 0.232 1.00 9.93 O ATOM 894 CB THR A 142 -13.624 21.235 -0.185 1.00 11.85 C ATOM 895 OG1 THR A 142 -14.632 21.777 -1.041 1.00 13.28 O ATOM 896 CG2 THR A 142 -13.911 21.842 1.190 1.00 12.71 C ATOM 0 H THR A 142 -11.795 20.244 -1.992 1.00 10.16 H new ATOM 0 HA THR A 142 -12.266 22.631 -0.807 1.00 10.88 H new ATOM 0 HB THR A 142 -13.628 20.266 -0.145 1.00 11.85 H new ATOM 0 HG1 THR A 142 -14.690 21.310 -1.737 1.00 13.28 H new ATOM 0 HG21 THR A 142 -14.785 21.553 1.495 1.00 12.71 H new ATOM 0 HG22 THR A 142 -13.235 21.548 1.821 1.00 12.71 H new ATOM 0 HG23 THR A 142 -13.894 22.810 1.127 1.00 12.71 H new ATOM 897 N THR A 143 -10.710 22.134 1.097 1.00 9.08 N ATOM 898 CA THR A 143 -9.669 21.882 2.075 1.00 9.48 C ATOM 899 C THR A 143 -10.142 22.232 3.485 1.00 8.87 C ATOM 900 O THR A 143 -10.764 23.280 3.708 1.00 9.73 O ATOM 901 CB THR A 143 -8.429 22.701 1.714 1.00 10.50 C ATOM 902 OG1 THR A 143 -7.980 22.316 0.404 1.00 11.71 O ATOM 903 CG2 THR A 143 -7.256 22.416 2.628 1.00 12.24 C ATOM 0 H THR A 143 -11.003 22.942 1.120 1.00 9.08 H new ATOM 0 HA THR A 143 -9.451 20.937 2.062 1.00 9.48 H new ATOM 0 HB THR A 143 -8.689 23.633 1.781 1.00 10.50 H new ATOM 0 HG1 THR A 143 -7.848 21.487 0.385 1.00 11.71 H new ATOM 0 HG21 THR A 143 -6.497 22.957 2.359 1.00 12.24 H new ATOM 0 HG22 THR A 143 -7.498 22.631 3.542 1.00 12.24 H new ATOM 0 HG23 THR A 143 -7.020 21.477 2.569 1.00 12.24 H new ATOM 904 N PHE A 144 -9.851 21.357 4.426 1.00 8.36 N ATOM 905 CA PHE A 144 -10.117 21.544 5.846 1.00 8.03 C ATOM 906 C PHE A 144 -8.787 21.683 6.558 1.00 9.46 C ATOM 907 O PHE A 144 -7.905 20.839 6.404 1.00 9.99 O ATOM 908 CB PHE A 144 -10.956 20.383 6.408 1.00 9.85 C ATOM 909 CG PHE A 144 -12.269 20.214 5.717 1.00 9.63 C ATOM 910 CD1 PHE A 144 -12.346 19.540 4.510 1.00 10.33 C ATOM 911 CD2 PHE A 144 -13.427 20.799 6.223 1.00 10.54 C ATOM 912 CE1 PHE A 144 -13.552 19.415 3.852 1.00 10.57 C ATOM 913 CE2 PHE A 144 -14.629 20.683 5.570 1.00 11.06 C ATOM 914 CZ PHE A 144 -14.687 19.989 4.377 1.00 11.45 C ATOM 0 H PHE A 144 -9.476 20.603 4.252 1.00 8.36 H new ATOM 0 HA PHE A 144 -10.641 22.348 5.988 1.00 8.03 H new ATOM 0 HB2 PHE A 144 -10.449 19.559 6.332 1.00 9.85 H new ATOM 0 HB3 PHE A 144 -11.112 20.533 7.353 1.00 9.85 H new ATOM 0 HD1 PHE A 144 -11.578 19.168 4.140 1.00 10.33 H new ATOM 0 HD2 PHE A 144 -13.385 21.278 7.019 1.00 10.54 H new ATOM 0 HE1 PHE A 144 -13.598 18.942 3.053 1.00 10.57 H new ATOM 0 HE2 PHE A 144 -15.397 21.068 5.927 1.00 11.06 H new ATOM 0 HZ PHE A 144 -15.497 19.909 3.927 1.00 11.45 H new ATOM 915 N LEU A 145 -8.623 22.723 7.353 1.00 8.90 N ATOM 916 CA LEU A 145 -7.429 22.962 8.160 1.00 9.01 C ATOM 917 C LEU A 145 -7.733 22.551 9.582 1.00 9.53 C ATOM 918 O LEU A 145 -8.565 23.180 10.252 1.00 10.84 O ATOM 919 CB LEU A 145 -7.034 24.437 8.080 1.00 10.04 C ATOM 920 CG LEU A 145 -6.793 24.970 6.670 1.00 11.13 C ATOM 921 CD1 LEU A 145 -6.404 26.438 6.732 1.00 14.07 C ATOM 922 CD2 LEU A 145 -5.789 24.129 5.913 1.00 12.88 C ATOM 0 H LEU A 145 -9.221 23.334 7.445 1.00 8.90 H new ATOM 0 HA LEU A 145 -6.681 22.441 7.829 1.00 9.01 H new ATOM 0 HB2 LEU A 145 -7.732 24.967 8.496 1.00 10.04 H new ATOM 0 HB3 LEU A 145 -6.228 24.570 8.603 1.00 10.04 H new ATOM 0 HG LEU A 145 -7.619 24.904 6.167 1.00 11.13 H new ATOM 0 HD11 LEU A 145 -6.252 26.771 5.834 1.00 14.07 H new ATOM 0 HD12 LEU A 145 -7.119 26.945 7.148 1.00 14.07 H new ATOM 0 HD13 LEU A 145 -5.592 26.536 7.254 1.00 14.07 H new ATOM 0 HD21 LEU A 145 -5.662 24.497 5.025 1.00 12.88 H new ATOM 0 HD22 LEU A 145 -4.943 24.131 6.387 1.00 12.88 H new ATOM 0 HD23 LEU A 145 -6.117 23.219 5.841 1.00 12.88 H new ATOM 923 N ILE A 146 -7.099 21.466 10.001 1.00 9.90 N ATOM 924 CA ILE A 146 -7.363 20.819 11.280 1.00 10.22 C ATOM 925 C ILE A 146 -6.164 21.102 12.169 1.00 11.04 C ATOM 926 O ILE A 146 -5.001 20.863 11.812 1.00 10.65 O ATOM 927 CB ILE A 146 -7.568 19.320 11.035 1.00 11.50 C ATOM 928 CG1 ILE A 146 -8.820 19.119 10.181 1.00 12.52 C ATOM 929 CG2 ILE A 146 -7.692 18.562 12.355 1.00 12.35 C ATOM 930 CD1 ILE A 146 -8.972 17.715 9.652 1.00 12.89 C ATOM 0 H ILE A 146 -6.488 21.075 9.539 1.00 9.90 H new ATOM 0 HA ILE A 146 -8.164 21.152 11.713 1.00 10.22 H new ATOM 0 HB ILE A 146 -6.796 18.967 10.566 1.00 11.50 H new ATOM 0 HG12 ILE A 146 -9.602 19.344 10.709 1.00 12.52 H new ATOM 0 HG13 ILE A 146 -8.795 19.737 9.434 1.00 12.52 H new ATOM 0 HG21 ILE A 146 -7.821 17.618 12.175 1.00 12.35 H new ATOM 0 HG22 ILE A 146 -6.883 18.684 12.876 1.00 12.35 H new ATOM 0 HG23 ILE A 146 -8.451 18.902 12.854 1.00 12.35 H new ATOM 0 HD11 ILE A 146 -9.782 17.655 9.121 1.00 12.89 H new ATOM 0 HD12 ILE A 146 -8.206 17.493 9.099 1.00 12.89 H new ATOM 0 HD13 ILE A 146 -9.026 17.093 10.395 1.00 12.89 H new ATOM 931 N ASN A 147 -6.444 21.612 13.364 1.00 10.64 N ATOM 932 CA ASN A 147 -5.395 21.969 14.311 1.00 11.64 C ATOM 933 C ASN A 147 -4.876 20.745 15.050 1.00 11.63 C ATOM 934 O ASN A 147 -5.440 19.669 14.915 1.00 11.73 O ATOM 935 CB ASN A 147 -5.842 23.113 15.262 1.00 10.64 C ATOM 936 CG ASN A 147 -6.919 22.705 16.263 1.00 12.16 C ATOM 937 OD1 ASN A 147 -7.243 21.532 16.438 1.00 12.61 O ATOM 938 ND2 ASN A 147 -7.486 23.714 16.942 1.00 12.82 N ATOM 0 H ASN A 147 -7.243 21.760 13.647 1.00 10.64 H new ATOM 0 HA ASN A 147 -4.645 22.321 13.806 1.00 11.64 H new ATOM 0 HB2 ASN A 147 -5.068 23.437 15.748 1.00 10.64 H new ATOM 0 HB3 ASN A 147 -6.173 23.853 14.729 1.00 10.64 H new ATOM 0 HD21 ASN A 147 -8.099 23.551 17.523 1.00 12.82 H new ATOM 0 HD22 ASN A 147 -7.237 24.524 16.796 1.00 12.82 H new ATOM 939 N PRO A 148 -3.784 20.900 15.794 1.00 11.70 N ATOM 940 CA PRO A 148 -3.237 19.741 16.528 1.00 12.69 C ATOM 941 C PRO A 148 -4.184 19.101 17.550 1.00 14.29 C ATOM 942 O PRO A 148 -4.001 17.926 17.896 1.00 15.06 O ATOM 943 CB PRO A 148 -1.987 20.332 17.187 1.00 13.17 C ATOM 944 CG PRO A 148 -1.555 21.406 16.242 1.00 13.18 C ATOM 945 CD PRO A 148 -2.865 22.053 15.850 1.00 13.37 C ATOM 0 HA PRO A 148 -3.067 18.994 15.933 1.00 12.69 H new ATOM 0 HB2 PRO A 148 -2.185 20.691 18.066 1.00 13.17 H new ATOM 0 HB3 PRO A 148 -1.296 19.662 17.303 1.00 13.17 H new ATOM 0 HG2 PRO A 148 -0.954 22.038 16.666 1.00 13.18 H new ATOM 0 HG3 PRO A 148 -1.088 21.043 15.473 1.00 13.18 H new ATOM 0 HD2 PRO A 148 -3.152 22.712 16.501 1.00 13.37 H new ATOM 0 HD3 PRO A 148 -2.802 22.507 14.995 1.00 13.37 H new ATOM 946 N GLU A 149 -5.184 19.836 18.020 1.00 15.78 N ATOM 947 CA GLU A 149 -6.208 19.269 18.895 1.00 18.98 C ATOM 948 C GLU A 149 -7.241 18.455 18.145 1.00 19.35 C ATOM 949 O GLU A 149 -8.102 17.823 18.751 1.00 24.74 O ATOM 950 CB AGLU A 149 -6.917 20.390 19.675 1.00 21.13 C ATOM 951 CB BGLU A 149 -6.945 20.368 19.696 0.00 17.89 C ATOM 952 CG AGLU A 149 -6.284 20.692 21.026 1.00 26.89 C ATOM 953 CG BGLU A 149 -7.985 19.556 21.020 0.00 20.47 C ATOM 954 CD AGLU A 149 -5.309 21.853 20.993 1.00 29.54 C ATOM 955 CD BGLU A 149 -8.841 20.525 21.226 0.00 24.56 C ATOM 956 OE1AGLU A 149 -4.074 21.595 20.986 1.00 34.69 O ATOM 957 OE1BGLU A 149 -9.895 20.104 21.534 0.00 27.27 O ATOM 958 OE2AGLU A 149 -5.776 23.025 20.990 1.00 34.95 O ATOM 959 OE2BGLU A 149 -8.718 21.532 21.196 0.00 28.28 O ATOM 0 H GLU A 149 -5.290 20.671 17.844 1.00 15.78 H new ATOM 0 HA GLU A 149 -5.749 18.669 19.504 1.00 18.98 H new ATOM 0 HB2AGLU A 149 -6.915 21.198 19.138 1.00 17.89 H new ATOM 0 HB2BGLU A 149 -6.305 20.976 20.098 0.00 17.89 H new ATOM 0 HB3AGLU A 149 -7.845 20.142 19.810 1.00 17.89 H new ATOM 0 HB3BGLU A 149 -7.505 20.895 19.105 0.00 17.89 H new ATOM 0 HG2AGLU A 149 -6.985 20.886 21.667 1.00 20.47 H new ATOM 0 HG2BGLU A 149 -8.409 18.739 20.715 0.00 20.47 H new ATOM 0 HG3AGLU A 149 -5.822 19.900 21.343 1.00 20.47 H new ATOM 0 HG3BGLU A 149 -7.474 19.331 21.813 0.00 20.47 H new ATOM 960 N GLY A 150 -7.204 18.479 16.818 1.00 15.38 N ATOM 961 CA GLY A 150 -8.065 17.648 16.018 1.00 15.37 C ATOM 962 C GLY A 150 -9.346 18.330 15.588 1.00 15.01 C ATOM 963 O GLY A 150 -10.264 17.670 15.144 1.00 16.97 O ATOM 0 H GLY A 150 -6.675 18.982 16.363 1.00 15.38 H new ATOM 0 HA2 GLY A 150 -7.581 17.361 15.228 1.00 15.37 H new ATOM 0 HA3 GLY A 150 -8.287 16.849 16.521 1.00 15.37 H new ATOM 964 N LYS A 151 -9.402 19.656 15.700 1.00 13.62 N ATOM 965 CA LYS A 151 -10.591 20.437 15.328 1.00 14.95 C ATOM 966 C LYS A 151 -10.411 21.170 13.997 1.00 13.27 C ATOM 967 O LYS A 151 -9.347 21.679 13.696 1.00 11.60 O ATOM 968 CB LYS A 151 -10.951 21.452 16.428 1.00 15.42 C ATOM 969 CG ALYS A 151 -10.955 20.869 17.862 0.50 17.34 C ATOM 970 CG BLYS A 151 -10.942 20.928 17.858 0.50 16.39 C ATOM 971 CD ALYS A 151 -12.275 21.075 18.590 0.50 17.86 C ATOM 972 CD BLYS A 151 -12.057 19.953 18.079 0.50 14.91 C ATOM 973 CE ALYS A 151 -12.987 20.863 19.418 0.00 23.15 C ATOM 974 CE BLYS A 151 -12.028 19.418 19.520 0.00 20.45 C ATOM 975 NZ ALYS A 151 -14.237 21.615 19.089 0.00 23.00 N ATOM 976 NZ BLYS A 151 -13.254 20.056 20.082 0.00 21.99 N ATOM 0 H LYS A 151 -8.750 20.134 15.995 1.00 13.62 H new ATOM 0 HA LYS A 151 -11.316 19.801 15.226 1.00 14.95 H new ATOM 0 HB2ALYS A 151 -10.320 22.188 16.392 0.50 15.42 H new ATOM 0 HB2BLYS A 151 -10.330 22.195 16.372 0.50 15.42 H new ATOM 0 HB3ALYS A 151 -11.828 21.820 16.238 0.50 15.42 H new ATOM 0 HB3BLYS A 151 -11.834 21.806 16.239 0.50 15.42 H new ATOM 0 HG2ALYS A 151 -10.761 19.920 17.819 0.50 16.39 H new ATOM 0 HG2BLYS A 151 -10.092 20.500 18.044 0.50 16.39 H new ATOM 0 HG3ALYS A 151 -10.242 21.282 18.374 0.50 16.39 H new ATOM 0 HG3BLYS A 151 -11.028 21.669 18.478 0.50 16.39 H new ATOM 0 HD2ALYS A 151 -12.227 22.038 18.692 0.50 14.91 H new ATOM 0 HD2BLYS A 151 -12.909 20.383 17.905 0.50 14.91 H new ATOM 0 HD3ALYS A 151 -12.872 20.898 17.846 0.50 14.91 H new ATOM 0 HD3BLYS A 151 -11.978 19.216 17.453 0.50 14.91 H new ATOM 0 HE2ALYS A 151 -13.163 19.912 19.490 0.00 20.45 H new ATOM 0 HE2BLYS A 151 -12.070 18.449 19.553 0.00 20.45 H new ATOM 0 HE3ALYS A 151 -12.624 21.150 20.270 0.00 20.45 H new ATOM 0 HE3BLYS A 151 -11.225 19.684 19.995 0.00 20.45 H new ATOM 0 HZ1ALYS A 151 -14.843 21.477 19.726 0.00 21.99 H new ATOM 0 HZ1BLYS A 151 -13.349 19.817 20.934 0.00 21.99 H new ATOM 0 HZ2ALYS A 151 -14.055 22.485 19.036 0.00 21.99 H new ATOM 0 HZ2BLYS A 151 -13.179 20.941 20.029 0.00 21.99 H new ATOM 0 HZ3ALYS A 151 -14.558 21.331 18.309 0.00 21.99 H new ATOM 0 HZ3BLYS A 151 -13.966 19.791 19.618 0.00 21.99 H new ATOM 977 N VAL A 152 -11.483 21.231 13.218 1.00 12.34 N ATOM 978 CA VAL A 152 -11.515 22.043 11.997 1.00 11.89 C ATOM 979 C VAL A 152 -11.583 23.506 12.383 1.00 12.27 C ATOM 980 O VAL A 152 -12.604 23.943 12.937 1.00 13.25 O ATOM 981 CB VAL A 152 -12.705 21.711 11.092 1.00 11.92 C ATOM 982 CG1 VAL A 152 -12.674 22.601 9.852 1.00 12.57 C ATOM 983 CG2 VAL A 152 -12.694 20.257 10.698 1.00 13.02 C ATOM 0 H VAL A 152 -12.213 20.806 13.377 1.00 12.34 H new ATOM 0 HA VAL A 152 -10.708 21.846 11.496 1.00 11.89 H new ATOM 0 HB VAL A 152 -13.524 21.879 11.584 1.00 11.92 H new ATOM 0 HG11 VAL A 152 -13.429 22.388 9.281 1.00 12.57 H new ATOM 0 HG12 VAL A 152 -12.725 23.532 10.120 1.00 12.57 H new ATOM 0 HG13 VAL A 152 -11.849 22.450 9.365 1.00 12.57 H new ATOM 0 HG21 VAL A 152 -13.455 20.071 10.126 1.00 13.02 H new ATOM 0 HG22 VAL A 152 -11.874 20.057 10.219 1.00 13.02 H new ATOM 0 HG23 VAL A 152 -12.746 19.705 11.494 1.00 13.02 H new ATOM 984 N VAL A 153 -10.539 24.275 12.072 1.00 11.11 N ATOM 985 CA VAL A 153 -10.513 25.712 12.352 1.00 11.55 C ATOM 986 C VAL A 153 -10.737 26.589 11.131 1.00 10.42 C ATOM 987 O VAL A 153 -11.095 27.766 11.270 1.00 10.43 O ATOM 988 CB VAL A 153 -9.221 26.150 13.074 1.00 11.70 C ATOM 989 CG1 VAL A 153 -9.123 25.430 14.437 1.00 12.97 C ATOM 990 CG2 VAL A 153 -7.954 25.875 12.220 1.00 13.01 C ATOM 0 H VAL A 153 -9.826 23.979 11.693 1.00 11.11 H new ATOM 0 HA VAL A 153 -11.269 25.848 12.945 1.00 11.55 H new ATOM 0 HB VAL A 153 -9.265 27.109 13.214 1.00 11.70 H new ATOM 0 HG11 VAL A 153 -8.311 25.705 14.891 1.00 12.97 H new ATOM 0 HG12 VAL A 153 -9.892 25.662 14.981 1.00 12.97 H new ATOM 0 HG13 VAL A 153 -9.105 24.471 14.296 1.00 12.97 H new ATOM 0 HG21 VAL A 153 -7.166 26.163 12.707 1.00 13.01 H new ATOM 0 HG22 VAL A 153 -7.889 24.925 12.034 1.00 13.01 H new ATOM 0 HG23 VAL A 153 -8.014 26.364 11.385 1.00 13.01 H new ATOM 991 N LYS A 154 -10.555 26.041 9.936 1.00 9.83 N ATOM 992 CA LYS A 154 -10.755 26.788 8.708 1.00 9.13 C ATOM 993 C LYS A 154 -11.118 25.861 7.555 1.00 8.49 C ATOM 994 O LYS A 154 -10.661 24.723 7.508 1.00 9.39 O ATOM 995 CB LYS A 154 -9.531 27.686 8.426 1.00 10.92 C ATOM 996 CG LYS A 154 -9.627 28.582 7.197 1.00 12.25 C ATOM 997 CD LYS A 154 -8.573 29.705 7.241 1.00 12.91 C ATOM 998 CE LYS A 154 -8.724 30.642 6.078 1.00 14.75 C ATOM 999 NZ LYS A 154 -7.915 31.877 6.295 1.00 15.32 N ATOM 0 H LYS A 154 -10.312 25.225 9.817 1.00 9.83 H new ATOM 0 HA LYS A 154 -11.515 27.382 8.810 1.00 9.13 H new ATOM 0 HB2 LYS A 154 -9.379 28.247 9.202 1.00 10.92 H new ATOM 0 HB3 LYS A 154 -8.751 27.118 8.330 1.00 10.92 H new ATOM 0 HG2 LYS A 154 -9.503 28.050 6.395 1.00 12.25 H new ATOM 0 HG3 LYS A 154 -10.514 28.970 7.145 1.00 12.25 H new ATOM 0 HD2 LYS A 154 -8.659 30.200 8.071 1.00 12.91 H new ATOM 0 HD3 LYS A 154 -7.684 29.317 7.233 1.00 12.91 H new ATOM 0 HE2 LYS A 154 -8.440 30.202 5.262 1.00 14.75 H new ATOM 0 HE3 LYS A 154 -9.658 30.876 5.963 1.00 14.75 H new ATOM 0 HZ1 LYS A 154 -7.967 32.397 5.574 1.00 15.32 H new ATOM 0 HZ2 LYS A 154 -8.229 32.318 7.002 1.00 15.32 H new ATOM 0 HZ3 LYS A 154 -7.065 31.654 6.439 1.00 15.32 H new ATOM 1000 N VAL A 155 -11.979 26.326 6.659 1.00 8.58 N ATOM 1001 CA VAL A 155 -12.402 25.617 5.473 1.00 8.26 C ATOM 1002 C VAL A 155 -12.121 26.509 4.292 1.00 8.46 C ATOM 1003 O VAL A 155 -12.388 27.716 4.348 1.00 8.75 O ATOM 1004 CB VAL A 155 -13.911 25.260 5.531 1.00 9.74 C ATOM 1005 CG1 VAL A 155 -14.347 24.448 4.310 1.00 12.03 C ATOM 1006 CG2 VAL A 155 -14.222 24.515 6.824 1.00 11.84 C ATOM 0 H VAL A 155 -12.347 27.100 6.734 1.00 8.58 H new ATOM 0 HA VAL A 155 -11.918 24.780 5.400 1.00 8.26 H new ATOM 0 HB VAL A 155 -14.418 26.087 5.518 1.00 9.74 H new ATOM 0 HG11 VAL A 155 -15.293 24.243 4.379 1.00 12.03 H new ATOM 0 HG12 VAL A 155 -14.186 24.963 3.504 1.00 12.03 H new ATOM 0 HG13 VAL A 155 -13.839 23.622 4.272 1.00 12.03 H new ATOM 0 HG21 VAL A 155 -15.166 24.296 6.852 1.00 11.84 H new ATOM 0 HG22 VAL A 155 -13.700 23.698 6.861 1.00 11.84 H new ATOM 0 HG23 VAL A 155 -13.998 25.076 7.583 1.00 11.84 H new ATOM 1007 N VAL A 156 -11.634 25.932 3.188 1.00 8.12 N ATOM 1008 CA VAL A 156 -11.363 26.674 1.974 1.00 8.51 C ATOM 1009 C VAL A 156 -11.933 25.952 0.779 1.00 8.24 C ATOM 1010 O VAL A 156 -11.554 24.795 0.549 1.00 9.37 O ATOM 1011 CB VAL A 156 -9.860 26.911 1.779 1.00 9.82 C ATOM 1012 CG1 VAL A 156 -9.605 27.741 0.544 1.00 11.57 C ATOM 1013 CG2 VAL A 156 -9.242 27.554 3.021 1.00 10.98 C ATOM 0 H VAL A 156 -11.454 25.093 3.132 1.00 8.12 H new ATOM 0 HA VAL A 156 -11.792 27.540 2.058 1.00 8.51 H new ATOM 0 HB VAL A 156 -9.431 26.050 1.651 1.00 9.82 H new ATOM 0 HG11 VAL A 156 -8.651 27.880 0.438 1.00 11.57 H new ATOM 0 HG12 VAL A 156 -9.952 27.278 -0.235 1.00 11.57 H new ATOM 0 HG13 VAL A 156 -10.048 28.599 0.634 1.00 11.57 H new ATOM 0 HG21 VAL A 156 -8.293 27.694 2.875 1.00 10.98 H new ATOM 0 HG22 VAL A 156 -9.672 28.407 3.192 1.00 10.98 H new ATOM 0 HG23 VAL A 156 -9.368 26.970 3.785 1.00 10.98 H new ATOM 1014 N THR A 157 -12.824 26.582 0.036 1.00 8.86 N ATOM 1015 CA THR A 157 -13.323 26.021 -1.199 1.00 9.74 C ATOM 1016 C THR A 157 -12.674 26.728 -2.348 1.00 11.16 C ATOM 1017 O THR A 157 -12.468 27.953 -2.316 1.00 11.79 O ATOM 1018 CB THR A 157 -14.834 26.055 -1.312 1.00 10.00 C ATOM 1019 OG1 THR A 157 -15.276 27.401 -1.244 1.00 13.87 O ATOM 1020 CG2 THR A 157 -15.479 25.333 -0.150 1.00 11.67 C ATOM 0 H THR A 157 -13.157 27.350 0.236 1.00 8.86 H new ATOM 0 HA THR A 157 -13.090 25.079 -1.212 1.00 9.74 H new ATOM 0 HB THR A 157 -15.078 25.632 -2.150 1.00 10.00 H new ATOM 0 HG1 THR A 157 -16.113 27.425 -1.308 1.00 13.87 H new ATOM 0 HG21 THR A 157 -16.444 25.367 -0.243 1.00 11.67 H new ATOM 0 HG22 THR A 157 -15.188 24.408 -0.142 1.00 11.67 H new ATOM 0 HG23 THR A 157 -15.219 25.760 0.681 1.00 11.67 H new ATOM 1021 N GLY A 158 -12.331 25.920 -3.352 1.00 12.09 N ATOM 1022 CA GLY A 158 -11.685 26.412 -4.544 1.00 12.51 C ATOM 1023 C GLY A 158 -10.179 26.331 -4.456 1.00 12.65 C ATOM 1024 O GLY A 158 -9.591 26.035 -3.413 1.00 12.64 O ATOM 0 H GLY A 158 -12.471 25.071 -3.351 1.00 12.09 H new ATOM 0 HA2 GLY A 158 -11.990 25.900 -5.309 1.00 12.51 H new ATOM 0 HA3 GLY A 158 -11.949 27.333 -4.696 1.00 12.51 H new ATOM 1025 N THR A 159 -9.552 26.645 -5.581 1.00 14.02 N ATOM 1026 CA THR A 159 -8.113 26.529 -5.713 1.00 14.88 C ATOM 1027 C THR A 159 -7.402 27.556 -4.839 1.00 14.33 C ATOM 1028 O THR A 159 -7.933 28.634 -4.554 1.00 14.92 O ATOM 1029 CB THR A 159 -7.738 26.645 -7.216 1.00 15.10 C ATOM 1030 OG1 THR A 159 -6.446 26.060 -7.454 1.00 16.27 O ATOM 1031 CG2 THR A 159 -7.637 28.089 -7.683 1.00 16.81 C ATOM 0 H THR A 159 -9.950 26.931 -6.288 1.00 14.02 H new ATOM 0 HA THR A 159 -7.815 25.662 -5.396 1.00 14.88 H new ATOM 0 HB THR A 159 -8.444 26.188 -7.699 1.00 15.10 H new ATOM 0 HG1 THR A 159 -6.540 25.257 -7.683 1.00 16.27 H new ATOM 0 HG21 THR A 159 -7.402 28.109 -8.624 1.00 16.81 H new ATOM 0 HG22 THR A 159 -8.491 28.531 -7.554 1.00 16.81 H new ATOM 0 HG23 THR A 159 -6.954 28.548 -7.169 1.00 16.81 H new HETATM 1032 N MSE A 160 -6.202 27.203 -4.411 1.00 13.63 N HETATM 1033 CA MSE A 160 -5.417 28.021 -3.483 1.00 13.64 C HETATM 1034 C MSE A 160 -4.068 28.365 -4.107 1.00 14.05 C HETATM 1035 O MSE A 160 -3.425 27.514 -4.716 1.00 14.96 O HETATM 1036 CB MSE A 160 -5.185 27.255 -2.186 1.00 13.57 C HETATM 1037 CG AMSE A 160 -6.464 26.867 -1.451 1.00 14.28 C HETATM 1038 CG BMSE A 160 -6.361 26.760 -1.362 0.00 22.36 C HETATM 1039 SE AMSE A 160 -6.127 25.573 -0.015 1.00 16.63 SE HETATM 1040 SE BMSE A 160 -5.763 25.686 0.234 0.00 36.20 SE HETATM 1041 CE AMSE A 160 -5.668 24.042 -1.108 1.00 15.97 C HETATM 1042 CE BMSE A 160 -7.212 25.709 1.210 0.00 34.48 C HETATM 0 H MSE A 160 -5.810 26.475 -4.650 1.00 13.63 H new HETATM 0 HA MSE A 160 -5.906 28.837 -3.296 1.00 13.64 H new HETATM 0 HB2AMSE A 160 -4.681 26.450 -2.383 1.00 13.57 H new HETATM 0 HB2BMSE A 160 -4.642 26.481 -2.404 0.00 13.57 H new HETATM 0 HB3AMSE A 160 -4.637 27.796 -1.596 1.00 13.57 H new HETATM 0 HB3BMSE A 160 -4.651 27.823 -1.610 0.00 13.57 H new HETATM 0 HG2AMSE A 160 -6.875 27.662 -1.078 1.00 22.36 H new HETATM 0 HG2BMSE A 160 -6.887 27.518 -1.062 0.00 22.36 H new HETATM 0 HG3AMSE A 160 -7.097 26.490 -2.082 1.00 22.36 H new HETATM 0 HG3BMSE A 160 -6.939 26.216 -1.919 0.00 22.36 H new HETATM 0 HE1AMSE A 160 -5.465 23.285 -0.536 1.00 34.48 H new HETATM 0 HE1BMSE A 160 -7.058 25.214 2.030 0.00 34.48 H new HETATM 0 HE2AMSE A 160 -6.416 23.820 -1.684 1.00 34.48 H new HETATM 0 HE2BMSE A 160 -7.443 26.626 1.425 0.00 34.48 H new HETATM 0 HE3AMSE A 160 -4.893 24.253 -1.652 1.00 34.48 H new HETATM 0 HE3BMSE A 160 -7.940 25.299 0.718 0.00 34.48 H new ATOM 1043 N THR A 161 -3.639 29.603 -3.933 1.00 12.05 N ATOM 1044 CA THR A 161 -2.288 30.003 -4.340 1.00 12.49 C ATOM 1045 C THR A 161 -1.264 29.459 -3.348 1.00 11.99 C ATOM 1046 O THR A 161 -1.588 29.107 -2.215 1.00 10.98 O ATOM 1047 CB THR A 161 -2.133 31.530 -4.385 1.00 13.62 C ATOM 1048 OG1 THR A 161 -2.310 32.059 -3.068 1.00 13.73 O ATOM 1049 CG2 THR A 161 -3.218 32.206 -5.237 1.00 14.08 C ATOM 0 H THR A 161 -4.109 30.232 -3.582 1.00 12.05 H new ATOM 0 HA THR A 161 -2.140 29.642 -5.228 1.00 12.49 H new ATOM 0 HB THR A 161 -1.255 31.704 -4.758 1.00 13.62 H new ATOM 0 HG1 THR A 161 -2.225 32.894 -3.088 1.00 13.73 H new ATOM 0 HG21 THR A 161 -3.079 33.166 -5.236 1.00 14.08 H new ATOM 0 HG22 THR A 161 -3.169 31.874 -6.147 1.00 14.08 H new ATOM 0 HG23 THR A 161 -4.092 32.005 -4.867 1.00 14.08 H new ATOM 1050 N GLU A 162 -0.005 29.433 -3.760 1.00 11.52 N ATOM 1051 CA GLU A 162 1.043 28.951 -2.880 1.00 11.83 C ATOM 1052 C GLU A 162 1.161 29.819 -1.620 1.00 10.98 C ATOM 1053 O GLU A 162 1.422 29.310 -0.535 1.00 11.22 O ATOM 1054 CB GLU A 162 2.371 28.836 -3.622 1.00 13.00 C ATOM 1055 CG GLU A 162 3.403 28.070 -2.823 1.00 14.39 C ATOM 1056 CD GLU A 162 4.646 27.708 -3.597 1.00 15.80 C ATOM 1057 OE1 GLU A 162 4.697 27.972 -4.824 1.00 19.27 O ATOM 1058 OE2 GLU A 162 5.574 27.165 -2.955 1.00 16.56 O ATOM 0 H GLU A 162 0.260 29.687 -4.537 1.00 11.52 H new ATOM 0 HA GLU A 162 0.799 28.060 -2.585 1.00 11.83 H new ATOM 0 HB2 GLU A 162 2.228 28.393 -4.473 1.00 13.00 H new ATOM 0 HB3 GLU A 162 2.709 29.724 -3.818 1.00 13.00 H new ATOM 0 HG2 GLU A 162 3.658 28.600 -2.052 1.00 14.39 H new ATOM 0 HG3 GLU A 162 2.997 27.256 -2.486 1.00 14.39 H new ATOM 1059 N SER A 163 0.952 31.127 -1.752 1.00 10.95 N ATOM 1060 CA SER A 163 1.002 32.006 -0.586 1.00 11.30 C ATOM 1061 C SER A 163 -0.110 31.701 0.404 1.00 10.87 C ATOM 1062 O SER A 163 0.110 31.715 1.603 1.00 11.27 O ATOM 1063 CB ASER A 163 0.948 33.472 -1.011 0.50 12.08 C ATOM 1064 CB BSER A 163 0.925 33.473 -1.012 0.50 12.05 C ATOM 1065 OG ASER A 163 2.184 33.845 -1.581 0.50 14.04 O ATOM 1066 OG BSER A 163 0.997 34.316 0.121 0.50 13.84 O ATOM 0 H SER A 163 0.782 31.521 -2.497 1.00 10.95 H new ATOM 0 HA SER A 163 1.846 31.840 -0.138 1.00 11.30 H new ATOM 0 HB2ASER A 163 0.232 33.606 -1.652 0.50 12.05 H new ATOM 0 HB2BSER A 163 1.651 33.678 -1.622 0.50 12.05 H new ATOM 0 HB3ASER A 163 0.752 34.034 -0.245 0.50 12.05 H new ATOM 0 HB3BSER A 163 0.097 33.634 -1.491 0.50 12.05 H new ATOM 0 HG ASER A 163 2.204 33.609 -2.387 0.50 13.84 H new ATOM 0 HG BSER A 163 0.955 35.119 -0.124 0.50 13.84 H new HETATM 1067 N MSE A 164 -1.301 31.426 -0.113 1.00 11.50 N HETATM 1068 CA MSE A 164 -2.427 31.051 0.722 1.00 11.87 C HETATM 1069 C MSE A 164 -2.081 29.746 1.459 1.00 10.63 C HETATM 1070 O MSE A 164 -2.272 29.661 2.649 1.00 9.63 O HETATM 1071 CB MSE A 164 -3.707 30.855 -0.113 1.00 14.17 C HETATM 1072 CG MSE A 164 -4.413 32.127 -0.591 1.00 17.47 C HETATM 1073 SE MSE A 164 -5.672 31.830 -2.111 1.00 21.10 SE HETATM 1074 CE MSE A 164 -7.129 30.842 -1.181 1.00 19.64 C HETATM 0 H MSE A 164 -1.476 31.452 -0.955 1.00 11.50 H new HETATM 0 HA MSE A 164 -2.596 31.765 1.357 1.00 11.87 H new HETATM 0 HB2 MSE A 164 -3.483 30.322 -0.891 1.00 14.17 H new HETATM 0 HB3 MSE A 164 -4.337 30.338 0.413 1.00 14.17 H new HETATM 0 HG2 MSE A 164 -4.902 32.513 0.152 1.00 17.47 H new HETATM 0 HG3 MSE A 164 -3.744 32.777 -0.859 1.00 17.47 H new HETATM 0 HE1 MSE A 164 -7.830 30.626 -1.816 1.00 19.64 H new HETATM 0 HE2 MSE A 164 -6.774 30.023 -0.801 1.00 19.64 H new HETATM 0 HE3 MSE A 164 -7.494 31.395 -0.472 1.00 19.64 H new ATOM 1075 N ILE A 165 -1.562 28.747 0.747 1.00 10.82 N ATOM 1076 CA ILE A 165 -1.219 27.454 1.351 1.00 10.47 C ATOM 1077 C ILE A 165 -0.181 27.651 2.451 1.00 10.67 C ATOM 1078 O ILE A 165 -0.286 27.076 3.528 1.00 10.62 O ATOM 1079 CB ILE A 165 -0.719 26.485 0.255 1.00 10.43 C ATOM 1080 CG1 ILE A 165 -1.896 26.117 -0.665 1.00 11.31 C ATOM 1081 CG2 ILE A 165 -0.067 25.247 0.874 1.00 11.60 C ATOM 1082 CD1 ILE A 165 -1.494 25.490 -2.005 1.00 11.24 C ATOM 0 H ILE A 165 -1.398 28.796 -0.096 1.00 10.82 H new ATOM 0 HA ILE A 165 -2.007 27.062 1.759 1.00 10.47 H new ATOM 0 HB ILE A 165 -0.035 26.920 -0.277 1.00 10.43 H new ATOM 0 HG12 ILE A 165 -2.477 25.499 -0.194 1.00 11.31 H new ATOM 0 HG13 ILE A 165 -2.416 26.917 -0.840 1.00 11.31 H new ATOM 0 HG21 ILE A 165 0.238 24.655 0.169 1.00 11.60 H new ATOM 0 HG22 ILE A 165 0.689 25.517 1.419 1.00 11.60 H new ATOM 0 HG23 ILE A 165 -0.714 24.783 1.428 1.00 11.60 H new ATOM 0 HD11 ILE A 165 -2.291 25.290 -2.521 1.00 11.24 H new ATOM 0 HD12 ILE A 165 -0.937 26.112 -2.499 1.00 11.24 H new ATOM 0 HD13 ILE A 165 -0.999 24.671 -1.844 1.00 11.24 H new ATOM 1083 N HIS A 166 0.807 28.482 2.187 1.00 10.92 N ATOM 1084 CA HIS A 166 1.808 28.795 3.196 1.00 11.87 C ATOM 1085 C HIS A 166 1.169 29.356 4.466 1.00 11.87 C ATOM 1086 O HIS A 166 1.462 28.903 5.573 1.00 12.19 O ATOM 1087 CB HIS A 166 2.816 29.802 2.623 1.00 12.46 C ATOM 1088 CG HIS A 166 3.962 30.097 3.535 1.00 14.73 C ATOM 1089 ND1 HIS A 166 5.101 29.325 3.568 1.00 15.15 N ATOM 1090 CD2 HIS A 166 4.135 31.066 4.459 1.00 15.44 C ATOM 1091 CE1 HIS A 166 5.936 29.818 4.464 1.00 16.10 C ATOM 1092 NE2 HIS A 166 5.378 30.878 5.016 1.00 16.18 N ATOM 0 H HIS A 166 0.920 28.878 1.432 1.00 10.92 H new ATOM 0 HA HIS A 166 2.265 27.974 3.435 1.00 11.87 H new ATOM 0 HB2 HIS A 166 3.162 29.459 1.784 1.00 12.46 H new ATOM 0 HB3 HIS A 166 2.353 30.630 2.421 1.00 12.46 H new ATOM 0 HD1 HIS A 166 5.246 28.631 3.082 1.00 15.15 H new ATOM 0 HD2 HIS A 166 3.527 31.735 4.678 1.00 15.44 H new ATOM 0 HE1 HIS A 166 6.776 29.476 4.671 1.00 16.10 H new ATOM 1093 N ASP A 167 0.286 30.344 4.311 1.00 11.43 N ATOM 1094 CA ASP A 167 -0.450 30.913 5.449 1.00 12.23 C ATOM 1095 C ASP A 167 -1.281 29.861 6.200 1.00 11.79 C ATOM 1096 O ASP A 167 -1.294 29.845 7.441 1.00 13.50 O ATOM 1097 CB ASP A 167 -1.385 32.038 4.989 1.00 13.38 C ATOM 1098 CG ASP A 167 -0.651 33.285 4.532 1.00 15.94 C ATOM 1099 OD1 ASP A 167 0.580 33.425 4.738 1.00 17.00 O ATOM 1100 OD2 ASP A 167 -1.260 34.205 3.951 1.00 20.14 O ATOM 0 H ASP A 167 0.096 30.702 3.552 1.00 11.43 H new ATOM 0 HA ASP A 167 0.222 31.263 6.055 1.00 12.23 H new ATOM 0 HB2 ASP A 167 -1.938 31.712 4.262 1.00 13.38 H new ATOM 0 HB3 ASP A 167 -1.982 32.271 5.717 1.00 13.38 H new ATOM 1101 N TYR A 168 -1.965 29.001 5.454 1.00 11.51 N ATOM 1102 CA TYR A 168 -2.827 27.959 6.019 1.00 11.68 C ATOM 1103 C TYR A 168 -2.044 26.943 6.835 1.00 12.70 C ATOM 1104 O TYR A 168 -2.480 26.528 7.905 1.00 13.74 O ATOM 1105 CB TYR A 168 -3.612 27.265 4.890 1.00 12.03 C ATOM 1106 CG TYR A 168 -4.557 28.172 4.098 1.00 11.93 C ATOM 1107 CD1 TYR A 168 -4.987 27.806 2.831 1.00 11.95 C ATOM 1108 CD2 TYR A 168 -4.980 29.406 4.579 1.00 11.80 C ATOM 1109 CE1 TYR A 168 -5.825 28.602 2.097 1.00 12.65 C ATOM 1110 CE2 TYR A 168 -5.825 30.218 3.829 1.00 12.87 C ATOM 1111 CZ TYR A 168 -6.240 29.799 2.598 1.00 12.06 C ATOM 1112 OH TYR A 168 -7.079 30.628 1.874 1.00 15.22 O ATOM 0 H TYR A 168 -1.944 29.003 4.594 1.00 11.51 H new ATOM 0 HA TYR A 168 -3.449 28.386 6.629 1.00 11.68 H new ATOM 0 HB2 TYR A 168 -2.978 26.866 4.274 1.00 12.03 H new ATOM 0 HB3 TYR A 168 -4.129 26.540 5.274 1.00 12.03 H new ATOM 0 HD1 TYR A 168 -4.698 26.999 2.471 1.00 11.95 H new ATOM 0 HD2 TYR A 168 -4.693 29.693 5.416 1.00 11.80 H new ATOM 0 HE1 TYR A 168 -6.111 28.326 1.256 1.00 12.65 H new ATOM 0 HE2 TYR A 168 -6.105 31.039 4.164 1.00 12.87 H new ATOM 0 HH TYR A 168 -7.626 30.162 1.439 1.00 15.22 H new HETATM 1113 N MSE A 169 -0.867 26.569 6.352 1.00 12.31 N HETATM 1114 CA MSE A 169 -0.034 25.624 7.086 1.00 13.34 C HETATM 1115 C MSE A 169 0.550 26.263 8.344 1.00 12.74 C HETATM 1116 O MSE A 169 0.631 25.599 9.392 1.00 13.44 O HETATM 1117 CB MSE A 169 1.029 25.026 6.167 1.00 13.88 C HETATM 1118 CG AMSE A 169 0.399 24.159 5.070 1.00 14.66 C HETATM 1119 CG BMSE A 169 0.358 24.144 5.101 0.00 20.37 C HETATM 1120 SE AMSE A 169 1.746 23.247 4.003 1.00 17.49 SE HETATM 1121 SE BMSE A 169 1.648 23.128 4.106 0.00 33.84 SE HETATM 1122 CE AMSE A 169 0.632 22.291 2.810 1.00 18.98 C HETATM 1123 CE BMSE A 169 1.576 21.612 4.846 0.00 28.76 C HETATM 0 H MSE A 169 -0.534 26.846 5.609 1.00 12.31 H new HETATM 0 HA MSE A 169 -0.587 24.888 7.393 1.00 13.34 H new HETATM 0 HB2AMSE A 169 1.546 25.739 5.761 1.00 13.88 H new HETATM 0 HB2BMSE A 169 1.536 25.735 5.740 0.00 13.88 H new HETATM 0 HB3AMSE A 169 1.646 24.491 6.690 1.00 13.88 H new HETATM 0 HB3BMSE A 169 1.658 24.500 6.685 0.00 13.88 H new HETATM 0 HG2AMSE A 169 -0.191 23.504 5.475 1.00 20.37 H new HETATM 0 HG2BMSE A 169 -0.270 23.541 5.528 0.00 20.37 H new HETATM 0 HG3AMSE A 169 -0.148 24.715 4.493 1.00 20.37 H new HETATM 0 HG3BMSE A 169 -0.153 24.702 4.494 0.00 20.37 H new HETATM 0 HE1AMSE A 169 1.180 21.774 2.199 1.00 28.76 H new HETATM 0 HE1BMSE A 169 2.201 21.010 4.412 0.00 28.76 H new HETATM 0 HE2AMSE A 169 0.057 21.693 3.313 1.00 28.76 H new HETATM 0 HE2BMSE A 169 1.809 21.698 5.784 0.00 28.76 H new HETATM 0 HE3AMSE A 169 0.087 22.915 2.306 1.00 28.76 H new HETATM 0 HE3BMSE A 169 0.677 21.256 4.768 0.00 28.76 H new ATOM 1124 N ASN A 170 0.927 27.544 8.279 1.00 12.35 N ATOM 1125 CA ASN A 170 1.353 28.264 9.473 1.00 11.87 C ATOM 1126 C ASN A 170 0.244 28.304 10.538 1.00 13.28 C ATOM 1127 O ASN A 170 0.539 28.274 11.721 1.00 14.68 O ATOM 1128 CB ASN A 170 1.764 29.707 9.137 1.00 12.79 C ATOM 1129 CG ASN A 170 3.249 29.858 8.861 1.00 13.64 C ATOM 1130 OD1 ASN A 170 4.074 29.066 9.314 1.00 14.76 O ATOM 1131 ND2 ASN A 170 3.597 30.920 8.128 1.00 15.63 N ATOM 0 H ASN A 170 0.942 28.008 7.555 1.00 12.35 H new ATOM 0 HA ASN A 170 2.117 27.782 9.826 1.00 11.87 H new ATOM 0 HB2 ASN A 170 1.265 30.007 8.361 1.00 12.79 H new ATOM 0 HB3 ASN A 170 1.518 30.287 9.874 1.00 12.79 H new ATOM 0 HD21 ASN A 170 4.426 31.071 7.956 1.00 15.63 H new ATOM 0 HD22 ASN A 170 2.992 31.452 7.828 1.00 15.63 H new ATOM 1132 N LEU A 171 -1.013 28.405 10.114 1.00 13.06 N ATOM 1133 CA LEU A 171 -2.146 28.494 11.038 1.00 13.30 C ATOM 1134 C LEU A 171 -2.288 27.253 11.931 1.00 13.28 C ATOM 1135 O LEU A 171 -2.643 27.368 13.105 1.00 14.53 O ATOM 1136 CB LEU A 171 -3.446 28.680 10.241 1.00 14.96 C ATOM 1137 CG LEU A 171 -4.760 28.873 10.999 1.00 17.01 C ATOM 1138 CD1 LEU A 171 -4.723 30.187 11.781 1.00 18.42 C ATOM 1139 CD2 LEU A 171 -5.939 28.845 10.039 1.00 17.68 C ATOM 0 H LEU A 171 -1.235 28.424 9.283 1.00 13.06 H new ATOM 0 HA LEU A 171 -1.978 29.255 11.616 1.00 13.30 H new ATOM 0 HB2 LEU A 171 -3.327 29.449 9.662 1.00 14.96 H new ATOM 0 HB3 LEU A 171 -3.551 27.905 9.667 1.00 14.96 H new ATOM 0 HG LEU A 171 -4.871 28.143 11.628 1.00 17.01 H new ATOM 0 HD11 LEU A 171 -5.559 30.303 12.259 1.00 18.42 H new ATOM 0 HD12 LEU A 171 -3.989 30.166 12.415 1.00 18.42 H new ATOM 0 HD13 LEU A 171 -4.598 30.926 11.166 1.00 18.42 H new ATOM 0 HD21 LEU A 171 -6.763 28.969 10.535 1.00 17.68 H new ATOM 0 HD22 LEU A 171 -5.844 29.558 9.388 1.00 17.68 H new ATOM 0 HD23 LEU A 171 -5.963 27.991 9.581 1.00 17.68 H new ATOM 1140 N ILE A 172 -1.999 26.086 11.378 1.00 12.41 N ATOM 1141 CA ILE A 172 -2.267 24.808 12.054 1.00 13.12 C ATOM 1142 C ILE A 172 -1.031 24.111 12.609 1.00 12.72 C ATOM 1143 O ILE A 172 -1.162 23.059 13.221 1.00 14.37 O ATOM 1144 CB ILE A 172 -3.090 23.862 11.142 1.00 13.39 C ATOM 1145 CG1 ILE A 172 -2.348 23.576 9.832 1.00 12.82 C ATOM 1146 CG2 ILE A 172 -4.491 24.448 10.923 1.00 15.01 C ATOM 1147 CD1 ILE A 172 -3.039 22.538 8.958 1.00 13.89 C ATOM 0 H ILE A 172 -1.642 26.003 10.600 1.00 12.41 H new ATOM 0 HA ILE A 172 -2.796 25.035 12.835 1.00 13.12 H new ATOM 0 HB ILE A 172 -3.199 23.003 11.579 1.00 13.39 H new ATOM 0 HG12 ILE A 172 -2.259 24.402 9.332 1.00 12.82 H new ATOM 0 HG13 ILE A 172 -1.450 23.270 10.037 1.00 12.82 H new ATOM 0 HG21 ILE A 172 -5.004 23.855 10.352 1.00 15.01 H new ATOM 0 HG22 ILE A 172 -4.940 24.542 11.778 1.00 15.01 H new ATOM 0 HG23 ILE A 172 -4.416 25.318 10.500 1.00 15.01 H new ATOM 0 HD11 ILE A 172 -2.523 22.402 8.148 1.00 13.89 H new ATOM 0 HD12 ILE A 172 -3.107 21.700 9.442 1.00 13.89 H new ATOM 0 HD13 ILE A 172 -3.928 22.850 8.726 1.00 13.89 H new ATOM 1148 N LYS A 173 0.158 24.657 12.421 1.00 13.36 N ATOM 1149 CA LYS A 173 1.359 23.979 12.941 1.00 13.86 C ATOM 1150 C LYS A 173 1.436 24.000 14.486 1.00 14.63 C ATOM 1151 O LYS A 173 0.995 24.959 15.108 1.00 16.00 O ATOM 1152 CB LYS A 173 2.624 24.520 12.296 1.00 14.05 C ATOM 1153 CG LYS A 173 3.025 25.882 12.775 1.00 14.65 C ATOM 1154 CD LYS A 173 4.227 26.381 11.994 1.00 16.73 C ATOM 1155 CE LYS A 173 4.613 27.763 12.427 1.00 17.90 C ATOM 1156 NZ LYS A 173 5.768 28.279 11.625 1.00 19.47 N ATOM 0 H LYS A 173 0.302 25.398 12.009 1.00 13.36 H new ATOM 0 HA LYS A 173 1.283 23.045 12.692 1.00 13.86 H new ATOM 0 HB2 LYS A 173 3.352 23.901 12.466 1.00 14.05 H new ATOM 0 HB3 LYS A 173 2.497 24.551 11.335 1.00 14.05 H new ATOM 0 HG2 LYS A 173 2.284 26.500 12.671 1.00 14.65 H new ATOM 0 HG3 LYS A 173 3.237 25.850 13.721 1.00 14.65 H new ATOM 0 HD2 LYS A 173 4.975 25.777 12.124 1.00 16.73 H new ATOM 0 HD3 LYS A 173 4.024 26.381 11.046 1.00 16.73 H new ATOM 0 HE2 LYS A 173 3.855 28.360 12.327 1.00 17.90 H new ATOM 0 HE3 LYS A 173 4.847 27.756 13.368 1.00 17.90 H new ATOM 0 HZ1 LYS A 173 6.135 28.973 12.045 1.00 19.47 H new ATOM 0 HZ2 LYS A 173 6.375 27.635 11.530 1.00 19.47 H new ATOM 0 HZ3 LYS A 173 5.481 28.536 10.823 1.00 19.47 H new ATOM 1157 N PRO A 174 1.921 22.902 15.091 1.00 15.49 N ATOM 1158 CA PRO A 174 2.105 22.829 16.548 1.00 17.62 C ATOM 1159 C PRO A 174 3.312 23.631 17.058 1.00 21.82 C ATOM 1160 O PRO A 174 4.338 23.587 16.376 1.00 25.57 O ATOM 1161 CB PRO A 174 2.278 21.318 16.802 1.00 18.34 C ATOM 1162 CG PRO A 174 2.798 20.779 15.575 1.00 16.85 C ATOM 1163 CD PRO A 174 2.212 21.609 14.448 1.00 15.71 C ATOM 0 HA PRO A 174 1.358 23.223 17.025 1.00 17.62 H new ATOM 0 HB2 PRO A 174 2.886 21.155 17.540 1.00 18.34 H new ATOM 0 HB3 PRO A 174 1.432 20.904 17.035 1.00 18.34 H new ATOM 0 HG2 PRO A 174 3.767 20.820 15.565 1.00 16.85 H new ATOM 0 HG3 PRO A 174 2.553 19.846 15.478 1.00 16.85 H new ATOM 0 HD2 PRO A 174 2.838 21.708 13.714 1.00 15.71 H new ATOM 0 HD3 PRO A 174 1.410 21.202 14.084 1.00 15.71 H new ATOM 1164 N GLY A 175 3.083 24.026 17.553 0.00 26.55 N ATOM 1165 CA GLY A 175 2.156 24.615 18.508 0.00 28.18 C ATOM 1166 C GLY A 175 2.866 25.824 19.089 0.00 29.20 C ATOM 1167 O GLY A 175 3.839 26.309 18.480 0.00 30.04 O ATOM 0 HA2 GLY A 175 1.328 24.874 18.074 0.00 28.18 H new ATOM 0 HA3 GLY A 175 1.925 23.980 19.204 0.00 28.18 H new TER 1168 GLY A 175 ATOM 1169 N SER B 40 20.689 -20.212 19.274 1.00 27.33 N ATOM 1170 CA SER B 40 21.191 -18.862 19.649 1.00 28.12 C ATOM 1171 C SER B 40 20.120 -17.791 19.437 1.00 25.58 C ATOM 1172 O SER B 40 19.183 -17.964 18.655 1.00 23.82 O ATOM 1173 CB SER B 40 22.441 -18.509 18.843 1.00 29.48 C ATOM 1174 OG SER B 40 22.236 -18.744 17.463 1.00 32.37 O ATOM 0 HA SER B 40 21.417 -18.887 20.592 1.00 28.12 H new ATOM 0 HB2 SER B 40 22.670 -17.577 18.986 1.00 29.48 H new ATOM 0 HB3 SER B 40 23.192 -19.037 19.157 1.00 29.48 H new ATOM 0 HG SER B 40 21.682 -19.367 17.364 1.00 32.37 H new ATOM 1175 N ASP B 41 20.269 -16.679 20.140 1.00 24.14 N ATOM 1176 CA ASP B 41 19.292 -15.598 20.054 1.00 24.35 C ATOM 1177 C ASP B 41 19.193 -15.072 18.631 1.00 22.09 C ATOM 1178 O ASP B 41 20.196 -14.811 17.973 1.00 22.93 O ATOM 1179 CB ASP B 41 19.670 -14.423 20.970 1.00 26.77 C ATOM 1180 CG ASP B 41 19.328 -14.665 22.423 1.00 29.47 C ATOM 1181 OD1 ASP B 41 18.878 -15.774 22.764 1.00 32.82 O ATOM 1182 OD2 ASP B 41 19.489 -13.784 23.307 1.00 33.76 O ATOM 0 H ASP B 41 20.927 -16.527 20.673 1.00 24.14 H new ATOM 0 HA ASP B 41 18.441 -15.968 20.335 1.00 24.35 H new ATOM 0 HB2 ASP B 41 20.622 -14.253 20.892 1.00 26.77 H new ATOM 0 HB3 ASP B 41 19.213 -13.623 20.665 1.00 26.77 H new ATOM 1183 N ALA B 42 17.966 -14.888 18.161 1.00 18.26 N ATOM 1184 CA ALA B 42 17.744 -14.218 16.897 1.00 16.84 C ATOM 1185 C ALA B 42 18.041 -12.732 17.079 1.00 16.35 C ATOM 1186 O ALA B 42 17.555 -12.116 18.041 1.00 16.50 O ATOM 1187 CB ALA B 42 16.339 -14.416 16.453 1.00 15.58 C ATOM 0 H ALA B 42 17.250 -15.145 18.562 1.00 18.26 H new ATOM 0 HA ALA B 42 18.329 -14.588 16.217 1.00 16.84 H new ATOM 0 HB1 ALA B 42 16.200 -13.964 15.606 1.00 15.58 H new ATOM 0 HB2 ALA B 42 16.164 -15.364 16.345 1.00 15.58 H new ATOM 0 HB3 ALA B 42 15.735 -14.050 17.117 1.00 15.58 H new ATOM 1188 N PRO B 43 18.849 -12.151 16.205 1.00 15.50 N ATOM 1189 CA PRO B 43 19.087 -10.709 16.273 1.00 16.08 C ATOM 1190 C PRO B 43 17.774 -9.920 16.276 1.00 15.24 C ATOM 1191 O PRO B 43 16.909 -10.136 15.443 1.00 14.44 O ATOM 1192 CB PRO B 43 19.935 -10.436 15.039 1.00 17.71 C ATOM 1193 CG PRO B 43 20.628 -11.685 14.784 1.00 17.39 C ATOM 1194 CD PRO B 43 19.681 -12.787 15.162 1.00 16.15 C ATOM 0 HA PRO B 43 19.529 -10.431 17.090 1.00 16.08 H new ATOM 0 HB2 PRO B 43 19.384 -10.178 14.283 1.00 17.71 H new ATOM 0 HB3 PRO B 43 20.561 -9.711 15.195 1.00 17.71 H new ATOM 0 HG2 PRO B 43 20.882 -11.754 13.850 1.00 17.39 H new ATOM 0 HG3 PRO B 43 21.445 -11.739 15.305 1.00 17.39 H new ATOM 0 HD2 PRO B 43 19.149 -13.081 14.406 1.00 16.15 H new ATOM 0 HD3 PRO B 43 20.150 -13.566 15.500 1.00 16.15 H new ATOM 1195 N ASN B 44 17.648 -9.001 17.231 1.00 15.18 N ATOM 1196 CA ASN B 44 16.401 -8.234 17.474 1.00 15.25 C ATOM 1197 C ASN B 44 16.081 -6.924 16.689 1.00 18.73 C ATOM 1198 O ASN B 44 16.229 -5.781 17.191 1.00 22.62 O ATOM 1199 CB ASN B 44 16.320 -7.825 18.928 1.00 14.78 C ATOM 1200 CG ASN B 44 14.947 -7.303 19.288 1.00 15.86 C ATOM 1201 OD1 ASN B 44 13.999 -7.451 18.516 1.00 14.74 O ATOM 1202 ND2 ASN B 44 14.831 -6.672 20.442 1.00 17.92 N ATOM 0 H ASN B 44 18.287 -8.795 17.769 1.00 15.18 H new ATOM 0 HA ASN B 44 15.761 -8.887 17.150 1.00 15.25 H new ATOM 0 HB2 ASN B 44 16.535 -8.585 19.491 1.00 14.78 H new ATOM 0 HB3 ASN B 44 16.984 -7.141 19.109 1.00 14.78 H new ATOM 0 HD21 ASN B 44 14.071 -6.346 20.679 1.00 17.92 H new ATOM 0 HD22 ASN B 44 15.515 -6.587 20.956 1.00 17.92 H new ATOM 1203 N PHE B 45 15.542 -7.051 15.482 1.00 20.78 N ATOM 1204 CA PHE B 45 15.484 -5.885 14.586 1.00 17.58 C ATOM 1205 C PHE B 45 14.175 -5.136 14.715 1.00 14.55 C ATOM 1206 O PHE B 45 13.224 -5.580 15.365 1.00 11.96 O ATOM 1207 CB PHE B 45 15.628 -6.421 13.181 1.00 18.04 C ATOM 1208 CG PHE B 45 14.520 -7.305 12.762 1.00 16.61 C ATOM 1209 CD1 PHE B 45 13.362 -6.780 12.226 1.00 19.08 C ATOM 1210 CD2 PHE B 45 14.609 -8.686 12.939 1.00 17.80 C ATOM 1211 CE1 PHE B 45 12.313 -7.590 11.857 1.00 18.57 C ATOM 1212 CE2 PHE B 45 13.583 -9.495 12.589 1.00 15.99 C ATOM 1213 CZ PHE B 45 12.436 -8.977 12.008 1.00 19.77 C ATOM 0 H PHE B 45 15.211 -7.778 15.163 1.00 20.78 H new ATOM 0 HA PHE B 45 16.187 -5.257 14.813 1.00 17.58 H new ATOM 0 HB2 PHE B 45 15.686 -5.675 12.564 1.00 18.04 H new ATOM 0 HB3 PHE B 45 16.463 -6.910 13.115 1.00 18.04 H new ATOM 0 HD1 PHE B 45 13.289 -5.860 12.112 1.00 19.08 H new ATOM 0 HD2 PHE B 45 15.382 -9.054 13.302 1.00 17.80 H new ATOM 0 HE1 PHE B 45 11.532 -7.221 11.512 1.00 18.57 H new ATOM 0 HE2 PHE B 45 13.648 -10.410 12.740 1.00 15.99 H new ATOM 0 HZ PHE B 45 11.756 -9.544 11.722 1.00 19.77 H new ATOM 1214 N VAL B 46 14.177 -3.974 14.083 1.00 12.99 N ATOM 1215 CA VAL B 46 13.010 -3.139 13.922 1.00 11.97 C ATOM 1216 C VAL B 46 12.901 -2.792 12.449 1.00 11.56 C ATOM 1217 O VAL B 46 13.843 -2.262 11.851 1.00 12.96 O ATOM 1218 CB VAL B 46 13.131 -1.793 14.707 1.00 13.13 C ATOM 1219 CG1 VAL B 46 11.963 -0.883 14.413 1.00 15.30 C ATOM 1220 CG2 VAL B 46 13.296 -2.039 16.171 1.00 15.36 C ATOM 0 H VAL B 46 14.885 -3.641 13.725 1.00 12.99 H new ATOM 0 HA VAL B 46 12.240 -3.623 14.260 1.00 11.97 H new ATOM 0 HB VAL B 46 13.930 -1.336 14.401 1.00 13.13 H new ATOM 0 HG11 VAL B 46 12.063 -0.057 14.912 1.00 15.30 H new ATOM 0 HG12 VAL B 46 11.937 -0.686 13.464 1.00 15.30 H new ATOM 0 HG13 VAL B 46 11.138 -1.321 14.675 1.00 15.30 H new ATOM 0 HG21 VAL B 46 13.369 -1.191 16.636 1.00 15.36 H new ATOM 0 HG22 VAL B 46 12.527 -2.526 16.506 1.00 15.36 H new ATOM 0 HG23 VAL B 46 14.100 -2.560 16.323 1.00 15.36 H new ATOM 1221 N LEU B 47 11.740 -3.077 11.852 1.00 11.12 N ATOM 1222 CA LEU B 47 11.434 -2.654 10.481 1.00 10.66 C ATOM 1223 C LEU B 47 9.978 -2.205 10.379 1.00 11.07 C ATOM 1224 O LEU B 47 9.140 -2.629 11.149 1.00 12.34 O ATOM 1225 CB LEU B 47 11.658 -3.797 9.466 1.00 12.03 C ATOM 1226 CG LEU B 47 13.107 -4.221 9.233 1.00 12.10 C ATOM 1227 CD1 LEU B 47 13.121 -5.424 8.309 1.00 13.01 C ATOM 1228 CD2 LEU B 47 13.903 -3.107 8.635 1.00 12.23 C ATOM 0 H LEU B 47 11.108 -3.521 12.230 1.00 11.12 H new ATOM 0 HA LEU B 47 12.033 -1.921 10.271 1.00 10.66 H new ATOM 0 HB2 LEU B 47 11.158 -4.573 9.766 1.00 12.03 H new ATOM 0 HB3 LEU B 47 11.279 -3.527 8.615 1.00 12.03 H new ATOM 0 HG LEU B 47 13.511 -4.450 10.085 1.00 12.10 H new ATOM 0 HD11 LEU B 47 14.037 -5.702 8.154 1.00 13.01 H new ATOM 0 HD12 LEU B 47 12.627 -6.152 8.718 1.00 13.01 H new ATOM 0 HD13 LEU B 47 12.708 -5.188 7.464 1.00 13.01 H new ATOM 0 HD21 LEU B 47 14.817 -3.400 8.497 1.00 12.23 H new ATOM 0 HD22 LEU B 47 13.514 -2.851 7.784 1.00 12.23 H new ATOM 0 HD23 LEU B 47 13.895 -2.345 9.235 1.00 12.23 H new ATOM 1229 N GLU B 48 9.687 -1.376 9.390 1.00 11.69 N ATOM 1230 CA GLU B 48 8.321 -0.948 9.123 1.00 11.66 C ATOM 1231 C GLU B 48 7.553 -2.025 8.353 1.00 10.62 C ATOM 1232 O GLU B 48 8.049 -2.532 7.359 1.00 11.31 O ATOM 1233 CB GLU B 48 8.362 0.357 8.314 1.00 12.69 C ATOM 1234 CG GLU B 48 7.057 1.091 8.237 1.00 14.27 C ATOM 1235 CD GLU B 48 7.115 2.331 7.362 1.00 16.38 C ATOM 1236 OE1 GLU B 48 8.080 2.520 6.562 1.00 19.26 O ATOM 1237 OE2 GLU B 48 6.153 3.124 7.458 1.00 20.01 O ATOM 0 H GLU B 48 10.273 -1.045 8.854 1.00 11.69 H new ATOM 0 HA GLU B 48 7.861 -0.801 9.964 1.00 11.66 H new ATOM 0 HB2 GLU B 48 9.027 0.945 8.706 1.00 12.69 H new ATOM 0 HB3 GLU B 48 8.658 0.155 7.413 1.00 12.69 H new ATOM 0 HG2 GLU B 48 6.376 0.492 7.893 1.00 14.27 H new ATOM 0 HG3 GLU B 48 6.784 1.347 9.132 1.00 14.27 H new ATOM 1238 N ASP B 49 6.340 -2.320 8.794 1.00 10.72 N ATOM 1239 CA ASP B 49 5.447 -3.177 8.020 1.00 11.51 C ATOM 1240 C ASP B 49 4.722 -2.398 6.941 1.00 11.63 C ATOM 1241 O ASP B 49 4.809 -1.156 6.864 1.00 11.72 O ATOM 1242 CB ASP B 49 4.557 -4.023 8.922 1.00 12.18 C ATOM 1243 CG ASP B 49 3.379 -3.313 9.491 1.00 14.38 C ATOM 1244 OD1 ASP B 49 3.017 -2.200 9.056 1.00 12.70 O ATOM 1245 OD2 ASP B 49 2.707 -3.862 10.408 1.00 16.79 O ATOM 0 H ASP B 49 6.012 -2.037 9.537 1.00 10.72 H new ATOM 0 HA ASP B 49 5.981 -3.824 7.534 1.00 11.51 H new ATOM 0 HB2 ASP B 49 4.243 -4.789 8.417 1.00 12.18 H new ATOM 0 HB3 ASP B 49 5.094 -4.367 9.653 1.00 12.18 H new ATOM 1246 N THR B 50 4.030 -3.094 6.051 1.00 10.54 N ATOM 1247 CA THR B 50 3.354 -2.425 4.926 1.00 10.84 C ATOM 1248 C THR B 50 2.103 -1.682 5.358 1.00 10.76 C ATOM 1249 O THR B 50 1.498 -0.995 4.532 1.00 12.15 O ATOM 1250 CB THR B 50 3.027 -3.429 3.795 1.00 11.05 C ATOM 1251 OG1 THR B 50 2.224 -4.497 4.328 1.00 13.23 O ATOM 1252 CG2 THR B 50 4.306 -4.056 3.241 1.00 12.33 C ATOM 0 H THR B 50 3.934 -3.948 6.072 1.00 10.54 H new ATOM 0 HA THR B 50 3.976 -1.764 4.584 1.00 10.84 H new ATOM 0 HB THR B 50 2.561 -2.950 3.092 1.00 11.05 H new ATOM 0 HG1 THR B 50 1.411 -4.305 4.243 1.00 13.23 H new ATOM 0 HG21 THR B 50 4.080 -4.681 2.535 1.00 12.33 H new ATOM 0 HG22 THR B 50 4.880 -3.360 2.885 1.00 12.33 H new ATOM 0 HG23 THR B 50 4.770 -4.526 3.951 1.00 12.33 H new ATOM 1253 N ASN B 51 1.704 -1.827 6.620 1.00 10.25 N ATOM 1254 CA ASN B 51 0.622 -1.014 7.186 1.00 12.03 C ATOM 1255 C ASN B 51 1.166 0.203 7.947 1.00 12.29 C ATOM 1256 O ASN B 51 0.397 0.908 8.606 1.00 13.97 O ATOM 1257 CB AASN B 51 -0.262 -1.850 8.120 0.80 14.55 C ATOM 1258 CB BASN B 51 -0.311 -1.850 8.066 0.20 11.61 C ATOM 1259 CG AASN B 51 -0.921 -3.020 7.428 0.80 16.91 C ATOM 1260 CG BASN B 51 -1.654 -1.168 8.309 0.20 11.16 C ATOM 1261 OD1AASN B 51 -1.369 -2.905 6.293 0.80 20.20 O ATOM 1262 OD1BASN B 51 -2.116 -1.067 9.443 0.20 13.09 O ATOM 1263 ND2AASN B 51 -0.971 -4.167 8.111 0.80 21.62 N ATOM 1264 ND2BASN B 51 -2.274 -0.682 7.241 0.20 10.51 N ATOM 0 H ASN B 51 2.047 -2.393 7.169 1.00 10.25 H new ATOM 0 HA ASN B 51 0.088 -0.697 6.441 1.00 12.03 H new ATOM 0 HB2AASN B 51 0.277 -2.179 8.856 0.80 11.61 H new ATOM 0 HB2BASN B 51 -0.461 -2.711 7.646 0.20 11.61 H new ATOM 0 HB3AASN B 51 -0.948 -1.280 8.502 0.80 11.61 H new ATOM 0 HB3BASN B 51 0.120 -2.021 8.918 0.20 11.61 H new ATOM 0 HD21AASN B 51 -1.329 -4.864 7.756 0.80 10.51 H new ATOM 0 HD21BASN B 51 -3.028 -0.278 7.328 0.20 10.51 H new ATOM 0 HD22AASN B 51 -0.646 -4.209 8.906 0.80 10.51 H new ATOM 0 HD22BASN B 51 -1.921 -0.771 6.462 0.20 10.51 H new ATOM 1265 N GLY B 52 2.460 0.464 7.808 1.00 11.91 N ATOM 1266 CA GLY B 52 3.072 1.643 8.416 1.00 14.14 C ATOM 1267 C GLY B 52 3.432 1.534 9.884 1.00 15.48 C ATOM 1268 O GLY B 52 3.724 2.546 10.519 1.00 17.94 O ATOM 0 H GLY B 52 3.005 -0.031 7.363 1.00 11.91 H new ATOM 0 HA2 GLY B 52 3.878 1.857 7.920 1.00 14.14 H new ATOM 0 HA3 GLY B 52 2.465 2.391 8.307 1.00 14.14 H new ATOM 1269 N LYS B 53 3.389 0.350 10.457 1.00 12.95 N ATOM 1270 CA LYS B 53 3.697 0.151 11.862 1.00 13.74 C ATOM 1271 C LYS B 53 5.071 -0.462 11.988 1.00 13.27 C ATOM 1272 O LYS B 53 5.411 -1.453 11.338 1.00 12.79 O ATOM 1273 CB ALYS B 53 2.637 -0.723 12.514 0.50 15.30 C ATOM 1274 CB BLYS B 53 2.667 -0.776 12.499 0.50 14.65 C ATOM 1275 CG ALYS B 53 1.232 -0.155 12.331 0.50 17.68 C ATOM 1276 CG BLYS B 53 2.917 -1.095 13.966 0.50 16.06 C ATOM 1277 CD ALYS B 53 0.206 -0.815 13.226 0.50 19.34 C ATOM 1278 CD BLYS B 53 1.815 -1.966 14.546 0.50 18.05 C ATOM 1279 CE ALYS B 53 -1.109 -0.052 13.179 0.50 20.42 C ATOM 1280 CE BLYS B 53 2.290 -2.657 15.796 0.50 19.27 C ATOM 1281 NZ ALYS B 53 -2.233 -0.801 13.812 0.50 20.39 N ATOM 1282 NZ BLYS B 53 1.193 -3.334 16.537 0.50 21.48 N ATOM 0 H LYS B 53 3.178 -0.372 10.040 1.00 12.95 H new ATOM 0 HA LYS B 53 3.696 1.005 12.323 1.00 13.74 H new ATOM 0 HB2ALYS B 53 2.676 -1.615 12.134 0.50 14.65 H new ATOM 0 HB2BLYS B 53 1.790 -0.371 12.414 0.50 14.65 H new ATOM 0 HB3ALYS B 53 2.829 -0.810 13.461 0.50 14.65 H new ATOM 0 HB3BLYS B 53 2.646 -1.607 11.999 0.50 14.65 H new ATOM 0 HG2ALYS B 53 1.248 0.798 12.513 0.50 16.06 H new ATOM 0 HG2BLYS B 53 3.770 -1.547 14.058 0.50 16.06 H new ATOM 0 HG3ALYS B 53 0.963 -0.263 11.405 0.50 16.06 H new ATOM 0 HG3BLYS B 53 2.977 -0.269 14.471 0.50 16.06 H new ATOM 0 HD2ALYS B 53 0.065 -1.732 12.944 0.50 18.05 H new ATOM 0 HD2BLYS B 53 1.037 -1.422 14.747 0.50 18.05 H new ATOM 0 HD3ALYS B 53 0.536 -0.846 14.138 0.50 18.05 H new ATOM 0 HD3BLYS B 53 1.538 -2.626 13.891 0.50 18.05 H new ATOM 0 HE2ALYS B 53 -1.000 0.801 13.628 0.50 19.27 H new ATOM 0 HE2BLYS B 53 2.967 -3.311 15.561 0.50 19.27 H new ATOM 0 HE3ALYS B 53 -1.334 0.141 12.255 0.50 19.27 H new ATOM 0 HE3BLYS B 53 2.714 -2.007 16.378 0.50 19.27 H new ATOM 0 HZ1ALYS B 53 -2.978 -0.317 13.761 0.50 21.48 H new ATOM 0 HZ1BLYS B 53 1.524 -3.726 17.265 0.50 21.48 H new ATOM 0 HZ2ALYS B 53 -2.352 -1.574 13.387 0.50 21.48 H new ATOM 0 HZ2BLYS B 53 0.581 -2.733 16.776 0.50 21.48 H new ATOM 0 HZ3ALYS B 53 -2.041 -0.959 14.666 0.50 21.48 H new ATOM 0 HZ3BLYS B 53 0.817 -3.949 16.015 0.50 21.48 H new ATOM 1283 N ARG B 54 5.891 0.092 12.873 1.00 11.94 N ATOM 1284 CA ARG B 54 7.191 -0.491 13.162 1.00 12.75 C ATOM 1285 C ARG B 54 7.022 -1.721 14.032 1.00 12.35 C ATOM 1286 O ARG B 54 6.304 -1.704 15.029 1.00 14.17 O ATOM 1287 CB ARG B 54 8.080 0.541 13.865 1.00 13.73 C ATOM 1288 CG ARG B 54 8.336 1.799 13.065 1.00 16.23 C ATOM 1289 CD ARG B 54 9.393 1.698 12.027 1.00 17.69 C ATOM 1290 NE ARG B 54 9.352 2.876 11.146 1.00 20.22 N ATOM 1291 CZ ARG B 54 10.255 3.160 10.208 1.00 21.42 C ATOM 1292 NH1 ARG B 54 11.279 2.364 10.008 1.00 22.18 N ATOM 1293 NH2 ARG B 54 10.123 4.247 9.460 1.00 24.10 N ATOM 0 H ARG B 54 5.712 0.807 13.317 1.00 11.94 H new ATOM 0 HA ARG B 54 7.616 -0.753 12.330 1.00 12.75 H new ATOM 0 HB2 ARG B 54 7.667 0.786 14.708 1.00 13.73 H new ATOM 0 HB3 ARG B 54 8.931 0.127 14.076 1.00 13.73 H new ATOM 0 HG2 ARG B 54 7.508 2.063 12.635 1.00 16.23 H new ATOM 0 HG3 ARG B 54 8.576 2.510 13.679 1.00 16.23 H new ATOM 0 HD2 ARG B 54 10.264 1.631 12.448 1.00 17.69 H new ATOM 0 HD3 ARG B 54 9.267 0.890 11.505 1.00 17.69 H new ATOM 0 HE ARG B 54 8.695 3.423 11.244 1.00 20.22 H new ATOM 0 HH11 ARG B 54 11.371 1.654 10.484 1.00 22.18 H new ATOM 0 HH12 ARG B 54 11.858 2.553 9.401 1.00 22.18 H new ATOM 0 HH21 ARG B 54 9.452 4.772 9.579 1.00 24.10 H new ATOM 0 HH22 ARG B 54 10.708 4.427 8.856 1.00 24.10 H new ATOM 1294 N ILE B 55 7.685 -2.792 13.638 1.00 11.40 N ATOM 1295 CA ILE B 55 7.638 -4.078 14.327 1.00 13.06 C ATOM 1296 C ILE B 55 9.034 -4.347 14.834 1.00 11.46 C ATOM 1297 O ILE B 55 10.008 -4.304 14.070 1.00 12.63 O ATOM 1298 CB ILE B 55 7.187 -5.226 13.375 1.00 14.85 C ATOM 1299 CG1AILE B 55 5.843 -4.909 12.700 0.30 15.77 C ATOM 1300 CG1BILE B 55 5.764 -4.976 12.883 0.70 17.11 C ATOM 1301 CG2 ILE B 55 7.243 -6.587 14.111 1.00 17.38 C ATOM 1302 CD1AILE B 55 4.696 -4.651 13.624 0.30 15.14 C ATOM 1303 CD1BILE B 55 5.251 -6.074 11.924 0.70 17.19 C ATOM 0 H ILE B 55 8.191 -2.797 12.943 1.00 11.40 H new ATOM 0 HA ILE B 55 6.992 -4.045 15.050 1.00 13.06 H new ATOM 0 HB AILE B 55 7.813 -5.299 12.637 0.30 14.85 H new ATOM 0 HB BILE B 55 7.790 -5.247 12.616 0.70 14.85 H new ATOM 0 HG12AILE B 55 5.961 -4.131 12.133 0.30 17.11 H new ATOM 0 HG12BILE B 55 5.169 -4.918 13.647 0.70 17.11 H new ATOM 0 HG13AILE B 55 5.609 -5.650 12.120 0.30 17.11 H new ATOM 0 HG13BILE B 55 5.730 -4.118 12.431 0.70 17.11 H new ATOM 0 HG21 ILE B 55 6.960 -7.293 13.509 1.00 17.38 H new ATOM 0 HG22 ILE B 55 8.151 -6.759 14.406 1.00 17.38 H new ATOM 0 HG23 ILE B 55 6.653 -6.564 14.880 1.00 17.38 H new ATOM 0 HD11AILE B 55 3.899 -4.462 13.105 0.30 17.19 H new ATOM 0 HD11BILE B 55 4.346 -5.863 11.645 0.70 17.19 H new ATOM 0 HD12AILE B 55 4.544 -5.433 14.177 0.30 17.19 H new ATOM 0 HD12BILE B 55 5.827 -6.118 11.145 0.70 17.19 H new ATOM 0 HD13AILE B 55 4.901 -3.890 14.190 0.30 17.19 H new ATOM 0 HD13BILE B 55 5.257 -6.930 12.379 0.70 17.19 H new ATOM 1304 N GLU B 56 9.136 -4.670 16.116 1.00 11.03 N ATOM 1305 CA GLU B 56 10.379 -5.114 16.735 1.00 12.08 C ATOM 1306 C GLU B 56 10.222 -6.610 16.996 1.00 11.34 C ATOM 1307 O GLU B 56 9.218 -7.037 17.546 1.00 11.01 O ATOM 1308 CB GLU B 56 10.650 -4.358 18.048 1.00 12.36 C ATOM 1309 CG GLU B 56 12.009 -4.670 18.646 1.00 14.19 C ATOM 1310 CD GLU B 56 12.467 -3.708 19.725 1.00 16.83 C ATOM 1311 OE1 GLU B 56 11.680 -2.848 20.157 1.00 18.20 O ATOM 1312 OE2 GLU B 56 13.645 -3.820 20.155 1.00 20.06 O ATOM 0 H GLU B 56 8.472 -4.637 16.662 1.00 11.03 H new ATOM 0 HA GLU B 56 11.135 -4.935 16.154 1.00 12.08 H new ATOM 0 HB2 GLU B 56 10.586 -3.404 17.884 1.00 12.36 H new ATOM 0 HB3 GLU B 56 9.960 -4.582 18.692 1.00 12.36 H new ATOM 0 HG2 GLU B 56 11.987 -5.566 19.018 1.00 14.19 H new ATOM 0 HG3 GLU B 56 12.668 -4.675 17.934 1.00 14.19 H new ATOM 1313 N LEU B 57 11.223 -7.402 16.636 1.00 11.06 N ATOM 1314 CA LEU B 57 11.121 -8.849 16.772 1.00 11.19 C ATOM 1315 C LEU B 57 10.760 -9.276 18.184 1.00 11.91 C ATOM 1316 O LEU B 57 9.891 -10.142 18.385 1.00 11.21 O ATOM 1317 CB LEU B 57 12.414 -9.521 16.301 1.00 12.90 C ATOM 1318 CG LEU B 57 12.410 -11.036 16.432 1.00 14.05 C ATOM 1319 CD1 LEU B 57 11.328 -11.665 15.543 1.00 15.57 C ATOM 1320 CD2 LEU B 57 13.787 -11.607 16.100 1.00 15.12 C ATOM 0 H LEU B 57 11.969 -7.123 16.311 1.00 11.06 H new ATOM 0 HA LEU B 57 10.393 -9.143 16.203 1.00 11.19 H new ATOM 0 HB2 LEU B 57 12.569 -9.287 15.373 1.00 12.90 H new ATOM 0 HB3 LEU B 57 13.157 -9.164 16.812 1.00 12.90 H new ATOM 0 HG LEU B 57 12.202 -11.258 17.353 1.00 14.05 H new ATOM 0 HD11 LEU B 57 11.346 -12.630 15.644 1.00 15.57 H new ATOM 0 HD12 LEU B 57 10.457 -11.329 15.806 1.00 15.57 H new ATOM 0 HD13 LEU B 57 11.496 -11.435 14.616 1.00 15.57 H new ATOM 0 HD21 LEU B 57 13.767 -12.573 16.188 1.00 15.12 H new ATOM 0 HD22 LEU B 57 14.025 -11.371 15.190 1.00 15.12 H new ATOM 0 HD23 LEU B 57 14.445 -11.241 16.711 1.00 15.12 H new ATOM 1321 N SER B 58 11.364 -8.649 19.185 1.00 12.18 N ATOM 1322 CA SER B 58 11.071 -9.014 20.568 1.00 13.06 C ATOM 1323 C SER B 58 9.621 -8.781 20.974 1.00 13.10 C ATOM 1324 O SER B 58 9.129 -9.362 21.950 1.00 14.43 O ATOM 1325 CB SER B 58 12.005 -8.299 21.535 1.00 14.32 C ATOM 1326 OG SER B 58 11.950 -6.913 21.366 1.00 15.64 O ATOM 0 H SER B 58 11.940 -8.017 19.090 1.00 12.18 H new ATOM 0 HA SER B 58 11.222 -9.971 20.618 1.00 13.06 H new ATOM 0 HB2 SER B 58 11.764 -8.525 22.447 1.00 14.32 H new ATOM 0 HB3 SER B 58 12.914 -8.608 21.397 1.00 14.32 H new ATOM 0 HG SER B 58 11.328 -6.598 21.834 1.00 15.64 H new ATOM 1327 N ASP B 59 8.902 -7.959 20.242 1.00 11.93 N ATOM 1328 CA ASP B 59 7.491 -7.776 20.532 1.00 12.77 C ATOM 1329 C ASP B 59 6.621 -8.958 20.164 1.00 12.05 C ATOM 1330 O ASP B 59 5.450 -8.995 20.549 1.00 11.69 O ATOM 1331 CB ASP B 59 7.002 -6.498 19.923 1.00 15.69 C ATOM 1332 CG ASP B 59 7.603 -5.296 20.654 1.00 18.01 C ATOM 1333 OD1 ASP B 59 7.915 -5.422 21.873 1.00 24.32 O ATOM 1334 OD2 ASP B 59 7.820 -4.255 20.121 1.00 23.29 O ATOM 0 H ASP B 59 9.203 -7.500 19.579 1.00 11.93 H new ATOM 0 HA ASP B 59 7.411 -7.715 21.497 1.00 12.77 H new ATOM 0 HB2 ASP B 59 7.243 -6.467 18.984 1.00 15.69 H new ATOM 0 HB3 ASP B 59 6.034 -6.461 19.968 1.00 15.69 H new ATOM 1335 N LEU B 60 7.205 -9.917 19.454 1.00 11.48 N ATOM 1336 CA LEU B 60 6.536 -11.160 19.085 1.00 10.85 C ATOM 1337 C LEU B 60 6.910 -12.314 19.990 1.00 12.05 C ATOM 1338 O LEU B 60 6.533 -13.451 19.723 1.00 11.67 O ATOM 1339 CB LEU B 60 6.845 -11.512 17.618 1.00 11.51 C ATOM 1340 CG LEU B 60 6.286 -10.539 16.589 1.00 13.41 C ATOM 1341 CD1 LEU B 60 6.836 -10.800 15.175 1.00 14.44 C ATOM 1342 CD2 LEU B 60 4.787 -10.596 16.599 1.00 17.12 C ATOM 0 H LEU B 60 8.014 -9.863 19.168 1.00 11.48 H new ATOM 0 HA LEU B 60 5.583 -11.014 19.192 1.00 10.85 H new ATOM 0 HB2 LEU B 60 7.807 -11.560 17.507 1.00 11.51 H new ATOM 0 HB3 LEU B 60 6.493 -12.396 17.431 1.00 11.51 H new ATOM 0 HG LEU B 60 6.576 -9.647 16.838 1.00 13.41 H new ATOM 0 HD11 LEU B 60 6.454 -10.159 14.555 1.00 14.44 H new ATOM 0 HD12 LEU B 60 7.802 -10.707 15.181 1.00 14.44 H new ATOM 0 HD13 LEU B 60 6.600 -11.699 14.896 1.00 14.44 H new ATOM 0 HD21 LEU B 60 4.435 -9.975 15.942 1.00 17.12 H new ATOM 0 HD22 LEU B 60 4.496 -11.495 16.382 1.00 17.12 H new ATOM 0 HD23 LEU B 60 4.460 -10.355 17.480 1.00 17.12 H new ATOM 1343 N LYS B 61 7.587 -12.042 21.102 1.00 12.50 N ATOM 1344 CA LYS B 61 7.848 -13.087 22.090 1.00 13.78 C ATOM 1345 C LYS B 61 6.553 -13.763 22.518 1.00 12.00 C ATOM 1346 O LYS B 61 5.480 -13.164 22.539 1.00 11.17 O ATOM 1347 CB ALYS B 61 8.545 -12.524 23.320 1.00 14.91 C ATOM 1348 CB BLYS B 61 8.553 -12.516 23.328 0.00 13.74 C ATOM 1349 CG ALYS B 61 7.713 -11.583 24.149 1.00 18.46 C ATOM 1350 CG BLYS B 61 7.700 -11.555 24.151 0.00 14.07 C ATOM 1351 CD ALYS B 61 8.396 -11.322 25.498 1.00 21.00 C ATOM 1352 CD BLYS B 61 8.382 -11.200 25.481 0.00 16.82 C ATOM 1353 CE ALYS B 61 9.685 -10.513 25.343 1.00 23.46 C ATOM 1354 CE BLYS B 61 7.929 -12.112 26.606 0.00 20.92 C ATOM 1355 NZ ALYS B 61 9.422 -9.191 24.737 1.00 24.64 N ATOM 1356 NZ BLYS B 61 8.865 -12.180 27.767 0.00 23.65 N ATOM 0 H LYS B 61 7.901 -11.267 21.303 1.00 12.50 H new ATOM 0 HA LYS B 61 8.430 -13.739 21.669 1.00 13.78 H new ATOM 0 HB2ALYS B 61 8.828 -13.263 23.881 1.00 13.74 H new ATOM 0 HB2BLYS B 61 8.832 -13.251 23.896 0.00 13.74 H new ATOM 0 HB3ALYS B 61 9.348 -12.059 23.036 1.00 13.74 H new ATOM 0 HB3BLYS B 61 9.358 -12.055 23.045 0.00 13.74 H new ATOM 0 HG2ALYS B 61 7.589 -10.746 23.674 1.00 14.07 H new ATOM 0 HG2BLYS B 61 7.539 -10.745 23.642 0.00 14.07 H new ATOM 0 HG3ALYS B 61 6.831 -11.961 24.293 1.00 14.07 H new ATOM 0 HG3BLYS B 61 6.835 -11.957 24.326 0.00 14.07 H new ATOM 0 HD2ALYS B 61 7.785 -10.846 26.082 1.00 16.82 H new ATOM 0 HD2BLYS B 61 9.344 -11.265 25.379 0.00 16.82 H new ATOM 0 HD3ALYS B 61 8.596 -12.169 25.927 1.00 16.82 H new ATOM 0 HD3BLYS B 61 8.183 -10.279 25.711 0.00 16.82 H new ATOM 0 HE2ALYS B 61 10.102 -10.396 26.211 1.00 20.92 H new ATOM 0 HE2BLYS B 61 7.063 -11.811 26.922 0.00 20.92 H new ATOM 0 HE3ALYS B 61 10.313 -11.005 24.791 1.00 20.92 H new ATOM 0 HE3BLYS B 61 7.807 -13.007 26.252 0.00 20.92 H new ATOM 0 HZ1ALYS B 61 10.099 -8.642 24.917 1.00 23.65 H new ATOM 0 HZ1BLYS B 61 8.535 -12.731 28.383 0.00 23.65 H new ATOM 0 HZ2ALYS B 61 9.339 -9.280 23.855 1.00 23.65 H new ATOM 0 HZ2BLYS B 61 9.656 -12.482 27.493 0.00 23.65 H new ATOM 0 HZ3ALYS B 61 8.670 -8.855 25.073 1.00 23.65 H new ATOM 0 HZ3BLYS B 61 8.963 -11.368 28.118 0.00 23.65 H new ATOM 1357 N GLY B 62 6.652 -15.047 22.822 1.00 11.03 N ATOM 1358 CA GLY B 62 5.489 -15.842 23.192 1.00 11.66 C ATOM 1359 C GLY B 62 4.814 -16.515 22.018 1.00 10.47 C ATOM 1360 O GLY B 62 3.992 -17.415 22.202 1.00 11.56 O ATOM 0 H GLY B 62 7.393 -15.484 22.820 1.00 11.03 H new ATOM 0 HA2 GLY B 62 5.760 -16.520 23.831 1.00 11.66 H new ATOM 0 HA3 GLY B 62 4.846 -15.271 23.641 1.00 11.66 H new ATOM 1361 N LYS B 63 5.173 -16.094 20.807 1.00 10.21 N ATOM 1362 CA LYS B 63 4.707 -16.709 19.555 1.00 10.81 C ATOM 1363 C LYS B 63 5.915 -17.246 18.811 1.00 9.23 C ATOM 1364 O LYS B 63 7.016 -16.733 18.950 1.00 11.07 O ATOM 1365 CB LYS B 63 4.001 -15.693 18.652 1.00 12.10 C ATOM 1366 CG LYS B 63 2.606 -15.261 19.097 1.00 14.83 C ATOM 1367 CD LYS B 63 1.989 -14.339 18.050 1.00 17.89 C ATOM 1368 CE LYS B 63 0.512 -14.088 18.249 1.00 18.79 C ATOM 1369 NZ LYS B 63 -0.129 -13.702 16.958 1.00 21.99 N ATOM 0 H LYS B 63 5.705 -15.430 20.683 1.00 10.21 H new ATOM 0 HA LYS B 63 4.077 -17.412 19.776 1.00 10.81 H new ATOM 0 HB2 LYS B 63 4.559 -14.903 18.585 1.00 12.10 H new ATOM 0 HB3 LYS B 63 3.935 -16.070 17.761 1.00 12.10 H new ATOM 0 HG2 LYS B 63 2.043 -16.040 19.225 1.00 14.83 H new ATOM 0 HG3 LYS B 63 2.657 -14.805 19.951 1.00 14.83 H new ATOM 0 HD2 LYS B 63 2.457 -13.490 18.064 1.00 17.89 H new ATOM 0 HD3 LYS B 63 2.127 -14.725 17.171 1.00 17.89 H new ATOM 0 HE2 LYS B 63 0.087 -14.885 18.602 1.00 18.79 H new ATOM 0 HE3 LYS B 63 0.383 -13.384 18.904 1.00 18.79 H new ATOM 0 HZ1 LYS B 63 -0.994 -13.543 17.092 1.00 21.99 H new ATOM 0 HZ2 LYS B 63 0.261 -12.968 16.640 1.00 21.99 H new ATOM 0 HZ3 LYS B 63 -0.037 -14.364 16.371 1.00 21.99 H new ATOM 1370 N GLY B 64 5.712 -18.281 18.012 1.00 9.72 N ATOM 1371 CA GLY B 64 6.728 -18.704 17.057 1.00 9.34 C ATOM 1372 C GLY B 64 6.769 -17.683 15.932 1.00 9.46 C ATOM 1373 O GLY B 64 5.726 -17.106 15.589 1.00 10.84 O ATOM 0 H GLY B 64 4.994 -18.754 18.005 1.00 9.72 H new ATOM 0 HA2 GLY B 64 7.594 -18.767 17.489 1.00 9.34 H new ATOM 0 HA3 GLY B 64 6.520 -19.585 16.708 1.00 9.34 H new ATOM 1374 N VAL B 65 7.948 -17.459 15.376 1.00 9.46 N ATOM 1375 CA VAL B 65 8.111 -16.537 14.265 1.00 9.39 C ATOM 1376 C VAL B 65 8.774 -17.240 13.095 1.00 8.77 C ATOM 1377 O VAL B 65 9.882 -17.765 13.217 1.00 9.58 O ATOM 1378 CB VAL B 65 8.890 -15.267 14.653 1.00 10.60 C ATOM 1379 CG1 VAL B 65 9.016 -14.343 13.441 1.00 11.13 C ATOM 1380 CG2 VAL B 65 8.189 -14.567 15.805 1.00 11.76 C ATOM 0 H VAL B 65 8.677 -17.837 15.632 1.00 9.46 H new ATOM 0 HA VAL B 65 7.224 -16.245 14.003 1.00 9.39 H new ATOM 0 HB VAL B 65 9.784 -15.509 14.942 1.00 10.60 H new ATOM 0 HG11 VAL B 65 9.507 -13.545 13.692 1.00 11.13 H new ATOM 0 HG12 VAL B 65 9.489 -14.804 12.730 1.00 11.13 H new ATOM 0 HG13 VAL B 65 8.131 -14.093 13.131 1.00 11.13 H new ATOM 0 HG21 VAL B 65 8.682 -13.768 16.047 1.00 11.76 H new ATOM 0 HG22 VAL B 65 7.290 -14.322 15.536 1.00 11.76 H new ATOM 0 HG23 VAL B 65 8.147 -15.163 16.569 1.00 11.76 H new ATOM 1381 N PHE B 66 8.074 -17.281 11.966 1.00 8.29 N ATOM 1382 CA PHE B 66 8.535 -17.823 10.706 1.00 8.62 C ATOM 1383 C PHE B 66 9.039 -16.639 9.894 1.00 8.63 C ATOM 1384 O PHE B 66 8.243 -15.899 9.303 1.00 9.19 O ATOM 1385 CB PHE B 66 7.348 -18.538 10.044 1.00 8.97 C ATOM 1386 CG PHE B 66 7.658 -19.345 8.812 1.00 9.21 C ATOM 1387 CD1 PHE B 66 7.839 -20.723 8.892 1.00 10.00 C ATOM 1388 CD2 PHE B 66 7.714 -18.757 7.556 1.00 9.79 C ATOM 1389 CE1 PHE B 66 8.044 -21.482 7.761 1.00 11.03 C ATOM 1390 CE2 PHE B 66 7.929 -19.531 6.407 1.00 10.16 C ATOM 1391 CZ PHE B 66 8.099 -20.902 6.535 1.00 9.33 C ATOM 0 H PHE B 66 7.272 -16.974 11.918 1.00 8.29 H new ATOM 0 HA PHE B 66 9.252 -18.471 10.795 1.00 8.62 H new ATOM 0 HB2 PHE B 66 6.943 -19.127 10.700 1.00 8.97 H new ATOM 0 HB3 PHE B 66 6.682 -17.872 9.812 1.00 8.97 H new ATOM 0 HD1 PHE B 66 7.821 -21.138 9.724 1.00 10.00 H new ATOM 0 HD2 PHE B 66 7.607 -17.837 7.475 1.00 9.79 H new ATOM 0 HE1 PHE B 66 8.146 -22.403 7.838 1.00 11.03 H new ATOM 0 HE2 PHE B 66 7.957 -19.130 5.568 1.00 10.16 H new ATOM 0 HZ PHE B 66 8.251 -21.424 5.780 1.00 9.33 H new ATOM 1392 N LEU B 67 10.351 -16.424 9.943 1.00 8.60 N ATOM 1393 CA LEU B 67 11.011 -15.202 9.457 1.00 8.81 C ATOM 1394 C LEU B 67 11.584 -15.485 8.077 1.00 9.35 C ATOM 1395 O LEU B 67 12.596 -16.170 7.956 1.00 9.67 O ATOM 1396 CB LEU B 67 12.107 -14.737 10.428 1.00 9.33 C ATOM 1397 CG LEU B 67 12.783 -13.410 10.063 1.00 9.90 C ATOM 1398 CD1 LEU B 67 11.845 -12.267 10.240 1.00 11.60 C ATOM 1399 CD2 LEU B 67 14.045 -13.202 10.855 1.00 11.56 C ATOM 0 H LEU B 67 10.902 -16.999 10.268 1.00 8.60 H new ATOM 0 HA LEU B 67 10.364 -14.482 9.402 1.00 8.81 H new ATOM 0 HB2 LEU B 67 11.720 -14.653 11.314 1.00 9.33 H new ATOM 0 HB3 LEU B 67 12.787 -15.427 10.479 1.00 9.33 H new ATOM 0 HG LEU B 67 13.029 -13.453 9.126 1.00 9.90 H new ATOM 0 HD11 LEU B 67 12.294 -11.440 10.004 1.00 11.60 H new ATOM 0 HD12 LEU B 67 11.072 -12.390 9.667 1.00 11.60 H new ATOM 0 HD13 LEU B 67 11.557 -12.225 11.165 1.00 11.60 H new ATOM 0 HD21 LEU B 67 14.450 -12.357 10.604 1.00 11.56 H new ATOM 0 HD22 LEU B 67 13.835 -13.190 11.802 1.00 11.56 H new ATOM 0 HD23 LEU B 67 14.666 -13.924 10.671 1.00 11.56 H new ATOM 1400 N ASN B 68 10.935 -15.014 7.022 1.00 9.58 N ATOM 1401 CA ASN B 68 11.226 -15.374 5.631 1.00 9.19 C ATOM 1402 C ASN B 68 11.774 -14.194 4.882 1.00 9.79 C ATOM 1403 O ASN B 68 11.052 -13.195 4.738 1.00 10.88 O ATOM 1404 CB ASN B 68 9.939 -15.895 4.973 1.00 9.89 C ATOM 1405 CG ASN B 68 10.095 -16.259 3.526 1.00 10.98 C ATOM 1406 OD1 ASN B 68 9.514 -15.631 2.644 1.00 12.29 O ATOM 1407 ND2 ASN B 68 10.849 -17.320 3.270 1.00 12.31 N ATOM 0 H ASN B 68 10.287 -14.454 7.094 1.00 9.58 H new ATOM 0 HA ASN B 68 11.901 -16.070 5.609 1.00 9.19 H new ATOM 0 HB2 ASN B 68 9.630 -16.674 5.461 1.00 9.89 H new ATOM 0 HB3 ASN B 68 9.249 -15.218 5.054 1.00 9.89 H new ATOM 0 HD21 ASN B 68 10.946 -17.593 2.460 1.00 12.31 H new ATOM 0 HD22 ASN B 68 11.241 -17.735 3.914 1.00 12.31 H new ATOM 1408 N PHE B 69 12.993 -14.282 4.381 1.00 8.66 N ATOM 1409 CA PHE B 69 13.608 -13.246 3.537 1.00 8.54 C ATOM 1410 C PHE B 69 13.342 -13.532 2.076 1.00 8.73 C ATOM 1411 O PHE B 69 13.598 -14.646 1.603 1.00 9.79 O ATOM 1412 CB PHE B 69 15.108 -13.174 3.769 1.00 8.70 C ATOM 1413 CG PHE B 69 15.506 -12.667 5.128 1.00 9.35 C ATOM 1414 CD1 PHE B 69 15.468 -13.466 6.268 1.00 10.19 C ATOM 1415 CD2 PHE B 69 15.908 -11.352 5.287 1.00 9.99 C ATOM 1416 CE1 PHE B 69 15.843 -12.959 7.499 1.00 9.78 C ATOM 1417 CE2 PHE B 69 16.260 -10.854 6.511 1.00 11.18 C ATOM 1418 CZ PHE B 69 16.224 -11.624 7.621 1.00 11.03 C ATOM 0 H PHE B 69 13.506 -14.958 4.520 1.00 8.66 H new ATOM 0 HA PHE B 69 13.212 -12.394 3.778 1.00 8.54 H new ATOM 0 HB2 PHE B 69 15.486 -14.058 3.643 1.00 8.70 H new ATOM 0 HB3 PHE B 69 15.501 -12.599 3.094 1.00 8.70 H new ATOM 0 HD1 PHE B 69 15.187 -14.350 6.201 1.00 10.19 H new ATOM 0 HD2 PHE B 69 15.939 -10.794 4.544 1.00 9.99 H new ATOM 0 HE1 PHE B 69 15.841 -13.511 8.248 1.00 9.78 H new ATOM 0 HE2 PHE B 69 16.530 -9.967 6.581 1.00 11.18 H new ATOM 0 HZ PHE B 69 16.449 -11.270 8.451 1.00 11.03 H new ATOM 1419 N TRP B 70 12.841 -12.533 1.354 1.00 8.98 N ATOM 1420 CA TRP B 70 12.330 -12.740 -0.002 1.00 8.50 C ATOM 1421 C TRP B 70 12.515 -11.491 -0.865 1.00 9.06 C ATOM 1422 O TRP B 70 12.696 -10.387 -0.350 1.00 9.54 O ATOM 1423 CB TRP B 70 10.846 -13.117 0.040 1.00 9.25 C ATOM 1424 CG TRP B 70 9.933 -12.004 0.514 1.00 8.65 C ATOM 1425 CD1 TRP B 70 9.701 -11.618 1.793 1.00 9.11 C ATOM 1426 CD2 TRP B 70 9.145 -11.148 -0.304 1.00 8.41 C ATOM 1427 NE1 TRP B 70 8.811 -10.562 1.822 1.00 9.24 N ATOM 1428 CE2 TRP B 70 8.469 -10.247 0.533 1.00 9.48 C ATOM 1429 CE3 TRP B 70 8.937 -11.055 -1.688 1.00 9.96 C ATOM 1430 CZ2 TRP B 70 7.586 -9.295 0.027 1.00 9.59 C ATOM 1431 CZ3 TRP B 70 8.071 -10.106 -2.178 1.00 9.86 C ATOM 1432 CH2 TRP B 70 7.431 -9.223 -1.341 1.00 9.89 C ATOM 0 H TRP B 70 12.787 -11.721 1.632 1.00 8.98 H new ATOM 0 HA TRP B 70 12.838 -13.465 -0.399 1.00 8.50 H new ATOM 0 HB2 TRP B 70 10.568 -13.393 -0.847 1.00 9.25 H new ATOM 0 HB3 TRP B 70 10.734 -13.884 0.624 1.00 9.25 H new ATOM 0 HD1 TRP B 70 10.086 -12.009 2.544 1.00 9.11 H new ATOM 0 HE1 TRP B 70 8.521 -10.169 2.530 1.00 9.24 H new ATOM 0 HE3 TRP B 70 9.381 -11.630 -2.269 1.00 9.96 H new ATOM 0 HZ2 TRP B 70 7.116 -8.727 0.594 1.00 9.59 H new ATOM 0 HZ3 TRP B 70 7.915 -10.061 -3.094 1.00 9.86 H new ATOM 0 HH2 TRP B 70 6.883 -8.565 -1.704 1.00 9.89 H new ATOM 1433 N GLY B 71 12.360 -11.677 -2.164 1.00 8.98 N ATOM 1434 CA GLY B 71 12.323 -10.571 -3.124 1.00 9.14 C ATOM 1435 C GLY B 71 11.289 -10.849 -4.207 1.00 9.82 C ATOM 1436 O GLY B 71 11.002 -12.018 -4.475 1.00 9.99 O ATOM 0 H GLY B 71 12.272 -12.453 -2.524 1.00 8.98 H new ATOM 0 HA2 GLY B 71 12.107 -9.744 -2.666 1.00 9.14 H new ATOM 0 HA3 GLY B 71 13.198 -10.453 -3.526 1.00 9.14 H new ATOM 1437 N THR B 72 10.759 -9.813 -4.845 1.00 9.93 N ATOM 1438 CA THR B 72 9.654 -9.995 -5.808 1.00 10.46 C ATOM 1439 C THR B 72 10.086 -10.717 -7.061 1.00 9.93 C ATOM 1440 O THR B 72 9.241 -11.246 -7.768 1.00 12.84 O ATOM 1441 CB THR B 72 9.015 -8.664 -6.274 1.00 10.50 C ATOM 1442 OG1 THR B 72 9.976 -7.916 -7.039 1.00 11.84 O ATOM 1443 CG2 THR B 72 8.543 -7.790 -5.102 1.00 11.19 C ATOM 0 H THR B 72 11.016 -8.999 -4.742 1.00 9.93 H new ATOM 0 HA THR B 72 9.008 -10.520 -5.310 1.00 10.46 H new ATOM 0 HB THR B 72 8.238 -8.894 -6.808 1.00 10.50 H new ATOM 0 HG1 THR B 72 10.440 -7.444 -6.522 1.00 11.84 H new ATOM 0 HG21 THR B 72 8.152 -6.971 -5.445 1.00 11.19 H new ATOM 0 HG22 THR B 72 7.879 -8.273 -4.585 1.00 11.19 H new ATOM 0 HG23 THR B 72 9.299 -7.573 -4.535 1.00 11.19 H new ATOM 1444 N TRP B 73 11.386 -10.703 -7.345 1.00 9.55 N ATOM 1445 CA TRP B 73 11.959 -11.295 -8.561 1.00 10.24 C ATOM 1446 C TRP B 73 12.318 -12.769 -8.419 1.00 10.24 C ATOM 1447 O TRP B 73 12.634 -13.425 -9.404 1.00 11.24 O ATOM 1448 CB ATRP B 73 13.165 -10.451 -8.988 0.50 10.91 C ATOM 1449 CB BTRP B 73 13.272 -10.569 -8.954 0.50 10.42 C ATOM 1450 CG ATRP B 73 14.035 -10.133 -7.838 0.50 10.44 C ATOM 1451 CG BTRP B 73 14.406 -10.769 -7.956 0.50 10.08 C ATOM 1452 CD1ATRP B 73 13.961 -9.055 -6.999 0.50 11.25 C ATOM 1453 CD1BTRP B 73 15.267 -11.829 -7.874 0.50 9.70 C ATOM 1454 CD2ATRP B 73 15.094 -10.941 -7.359 0.50 9.41 C ATOM 1455 CD2BTRP B 73 14.752 -9.902 -6.872 0.50 9.01 C ATOM 1456 NE1ATRP B 73 14.922 -9.153 -6.023 0.50 11.18 N ATOM 1457 NE1BTRP B 73 16.130 -11.668 -6.814 0.50 10.44 N ATOM 1458 CE2ATRP B 73 15.639 -10.304 -6.231 0.50 10.88 C ATOM 1459 CE2BTRP B 73 15.829 -10.496 -6.174 0.50 9.98 C ATOM 1460 CE3ATRP B 73 15.653 -12.151 -7.782 0.50 10.81 C ATOM 1461 CE3BTRP B 73 14.254 -8.681 -6.408 0.50 8.90 C ATOM 1462 CZ2ATRP B 73 16.710 -10.839 -5.529 0.50 11.13 C ATOM 1463 CZ2BTRP B 73 16.411 -9.905 -5.054 0.50 10.74 C ATOM 1464 CZ3ATRP B 73 16.708 -12.673 -7.094 0.50 11.83 C ATOM 1465 CZ3BTRP B 73 14.835 -8.104 -5.302 0.50 10.58 C ATOM 1466 CH2ATRP B 73 17.228 -12.025 -5.973 0.50 12.44 C ATOM 1467 CH2BTRP B 73 15.912 -8.710 -4.647 0.50 11.84 C ATOM 0 H TRP B 73 11.973 -10.344 -6.830 1.00 9.55 H new ATOM 0 HA TRP B 73 11.279 -11.280 -9.252 1.00 10.24 H new ATOM 0 HB2ATRP B 73 13.676 -10.930 -9.659 0.50 10.42 H new ATOM 0 HB2BTRP B 73 13.559 -10.886 -9.825 0.50 10.42 H new ATOM 0 HB3ATRP B 73 12.857 -9.629 -9.400 0.50 10.42 H new ATOM 0 HB3BTRP B 73 13.093 -9.620 -9.042 0.50 10.42 H new ATOM 0 HD1ATRP B 73 13.350 -8.358 -7.078 0.50 9.70 H new ATOM 0 HD1BTRP B 73 15.269 -12.556 -8.453 0.50 9.70 H new ATOM 0 HE1ATRP B 73 15.052 -8.588 -5.388 0.50 10.44 H new ATOM 0 HE1BTRP B 73 16.756 -12.214 -6.590 0.50 10.44 H new ATOM 0 HE3ATRP B 73 15.309 -12.594 -8.524 0.50 8.90 H new ATOM 0 HE3BTRP B 73 13.542 -8.266 -6.839 0.50 8.90 H new ATOM 0 HZ2ATRP B 73 17.063 -10.407 -4.784 0.50 10.74 H new ATOM 0 HZ2BTRP B 73 17.114 -10.314 -4.603 0.50 10.74 H new ATOM 0 HZ3ATRP B 73 17.087 -13.474 -7.376 0.50 10.58 H new ATOM 0 HZ3BTRP B 73 14.505 -7.295 -4.984 0.50 10.58 H new ATOM 0 HH2ATRP B 73 17.943 -12.408 -5.517 0.50 11.84 H new ATOM 0 HH2BTRP B 73 16.296 -8.284 -3.915 0.50 11.84 H new ATOM 1468 N CYS B 74 12.256 -13.268 -7.193 1.00 10.45 N ATOM 1469 CA CYS B 74 12.864 -14.526 -6.817 1.00 11.91 C ATOM 1470 C CYS B 74 11.888 -15.675 -7.051 1.00 11.36 C ATOM 1471 O CYS B 74 10.856 -15.751 -6.392 1.00 11.81 O ATOM 1472 CB ACYS B 74 13.298 -14.425 -5.368 0.80 11.82 C ATOM 1473 CB BCYS B 74 13.229 -14.507 -5.336 0.20 12.21 C ATOM 1474 SG ACYS B 74 13.906 -15.979 -4.693 0.80 16.80 S ATOM 1475 SG BCYS B 74 14.462 -13.298 -4.839 0.20 15.10 S ATOM 0 H CYS B 74 11.850 -12.874 -6.545 1.00 10.45 H new ATOM 0 HA CYS B 74 13.644 -14.710 -7.364 1.00 11.91 H new ATOM 0 HB2ACYS B 74 13.993 -13.753 -5.292 0.80 12.21 H new ATOM 0 HB2BCYS B 74 12.421 -14.346 -4.825 0.20 12.21 H new ATOM 0 HB3ACYS B 74 12.548 -14.119 -4.834 0.80 12.21 H new ATOM 0 HB3BCYS B 74 13.550 -15.389 -5.090 0.20 12.21 H new ATOM 0 HG ACYS B 74 13.190 -16.334 -3.797 0.80 15.10 H new ATOM 0 HG BCYS B 74 14.807 -12.662 -5.796 0.20 15.10 H new ATOM 1476 N GLU B 75 12.196 -16.541 -8.006 1.00 11.69 N ATOM 1477 CA GLU B 75 11.305 -17.646 -8.353 1.00 12.64 C ATOM 1478 C GLU B 75 11.092 -18.657 -7.213 1.00 11.30 C ATOM 1479 O GLU B 75 9.950 -19.015 -6.968 1.00 11.44 O ATOM 1480 CB GLU B 75 11.747 -18.315 -9.659 1.00 14.54 C ATOM 1481 CG GLU B 75 11.634 -17.400 -10.877 1.00 18.91 C ATOM 1482 CD GLU B 75 10.205 -17.002 -11.239 1.00 20.91 C ATOM 1483 OE1 GLU B 75 9.239 -17.729 -10.896 1.00 25.56 O ATOM 1484 OE2 GLU B 75 10.042 -15.948 -11.897 1.00 26.92 O ATOM 0 H GLU B 75 12.920 -16.508 -8.469 1.00 11.69 H new ATOM 0 HA GLU B 75 10.429 -17.257 -8.499 1.00 12.64 H new ATOM 0 HB2 GLU B 75 12.667 -18.610 -9.568 1.00 14.54 H new ATOM 0 HB3 GLU B 75 11.208 -19.108 -9.807 1.00 14.54 H new ATOM 0 HG2 GLU B 75 12.150 -16.595 -10.712 1.00 18.91 H new ATOM 0 HG3 GLU B 75 12.037 -17.844 -11.639 1.00 18.91 H new ATOM 1485 N PRO B 76 12.126 -19.102 -6.516 1.00 12.02 N ATOM 1486 CA PRO B 76 11.877 -19.983 -5.360 1.00 11.60 C ATOM 1487 C PRO B 76 11.022 -19.321 -4.285 1.00 12.64 C ATOM 1488 O PRO B 76 10.303 -20.019 -3.565 1.00 12.64 O ATOM 1489 CB PRO B 76 13.282 -20.366 -4.858 1.00 13.03 C ATOM 1490 CG PRO B 76 14.242 -19.515 -5.575 1.00 13.28 C ATOM 1491 CD PRO B 76 13.565 -18.983 -6.821 1.00 11.43 C ATOM 0 HA PRO B 76 11.358 -20.764 -5.606 1.00 11.60 H new ATOM 0 HB2 PRO B 76 13.353 -20.231 -3.900 1.00 13.03 H new ATOM 0 HB3 PRO B 76 13.463 -21.304 -5.026 1.00 13.03 H new ATOM 0 HG2 PRO B 76 14.533 -18.783 -5.009 1.00 13.28 H new ATOM 0 HG3 PRO B 76 15.034 -20.023 -5.811 1.00 13.28 H new ATOM 0 HD2 PRO B 76 13.817 -18.063 -6.998 1.00 11.43 H new ATOM 0 HD3 PRO B 76 13.807 -19.499 -7.606 1.00 11.43 H new ATOM 1492 N CYS B 77 11.080 -17.994 -4.170 1.00 12.05 N ATOM 1493 CA CYS B 77 10.185 -17.261 -3.257 1.00 12.42 C ATOM 1494 C CYS B 77 8.756 -17.284 -3.731 1.00 12.02 C ATOM 1495 O CYS B 77 7.845 -17.598 -2.962 1.00 13.19 O ATOM 1496 CB CYS B 77 10.588 -15.779 -3.082 1.00 12.52 C ATOM 1497 SG CYS B 77 12.212 -15.521 -2.341 1.00 14.20 S ATOM 0 H CYS B 77 11.627 -17.496 -4.609 1.00 12.05 H new ATOM 0 HA CYS B 77 10.269 -17.722 -2.408 1.00 12.42 H new ATOM 0 HB2 CYS B 77 10.570 -15.347 -3.950 1.00 12.52 H new ATOM 0 HB3 CYS B 77 9.922 -15.338 -2.532 1.00 12.52 H new ATOM 0 HG CYS B 77 13.000 -15.226 -3.196 1.00 14.20 H new ATOM 1498 N LYS B 78 8.534 -16.950 -4.996 1.00 12.60 N ATOM 1499 CA LYS B 78 7.195 -16.985 -5.576 1.00 13.61 C ATOM 1500 C LYS B 78 6.542 -18.359 -5.423 1.00 13.88 C ATOM 1501 O LYS B 78 5.340 -18.467 -5.158 1.00 16.11 O ATOM 1502 CB LYS B 78 7.223 -16.636 -7.065 1.00 14.90 C ATOM 1503 CG LYS B 78 7.590 -15.187 -7.400 1.00 16.42 C ATOM 1504 CD LYS B 78 7.758 -15.079 -8.913 1.00 18.68 C ATOM 1505 CE LYS B 78 8.124 -13.694 -9.376 1.00 20.64 C ATOM 1506 NZ LYS B 78 8.200 -13.697 -10.854 1.00 22.31 N ATOM 0 H LYS B 78 9.150 -16.698 -5.541 1.00 12.60 H new ATOM 0 HA LYS B 78 6.676 -16.325 -5.090 1.00 13.61 H new ATOM 0 HB2 LYS B 78 7.857 -17.223 -7.506 1.00 14.90 H new ATOM 0 HB3 LYS B 78 6.350 -16.827 -7.442 1.00 14.90 H new ATOM 0 HG2 LYS B 78 6.897 -14.582 -7.092 1.00 16.42 H new ATOM 0 HG3 LYS B 78 8.410 -14.932 -6.949 1.00 16.42 H new ATOM 0 HD2 LYS B 78 8.444 -15.701 -9.201 1.00 18.68 H new ATOM 0 HD3 LYS B 78 6.932 -15.349 -9.344 1.00 18.68 H new ATOM 0 HE2 LYS B 78 7.463 -13.052 -9.074 1.00 20.64 H new ATOM 0 HE3 LYS B 78 8.975 -13.425 -8.995 1.00 20.64 H new ATOM 0 HZ1 LYS B 78 8.527 -12.919 -11.136 1.00 22.31 H new ATOM 0 HZ2 LYS B 78 8.733 -14.357 -11.123 1.00 22.31 H new ATOM 0 HZ3 LYS B 78 7.386 -13.816 -11.193 1.00 22.31 H new ATOM 1507 N LYS B 79 7.317 -19.412 -5.622 1.00 12.81 N ATOM 1508 CA LYS B 79 6.779 -20.765 -5.581 1.00 12.40 C ATOM 1509 C LYS B 79 6.201 -21.085 -4.201 1.00 11.90 C ATOM 1510 O LYS B 79 5.148 -21.715 -4.093 1.00 12.56 O ATOM 1511 CB LYS B 79 7.848 -21.786 -5.957 1.00 13.82 C ATOM 1512 CG LYS B 79 7.290 -23.197 -6.139 1.00 16.63 C ATOM 1513 CD LYS B 79 8.353 -24.205 -6.587 1.00 18.95 C ATOM 1514 CE LYS B 79 7.759 -25.483 -7.201 1.00 20.91 C ATOM 1515 NZ LYS B 79 6.256 -25.467 -7.273 1.00 23.75 N ATOM 0 H LYS B 79 8.161 -19.367 -5.783 1.00 12.81 H new ATOM 0 HA LYS B 79 6.061 -20.817 -6.231 1.00 12.40 H new ATOM 0 HB2 LYS B 79 8.280 -21.506 -6.779 1.00 13.82 H new ATOM 0 HB3 LYS B 79 8.531 -21.800 -5.268 1.00 13.82 H new ATOM 0 HG2 LYS B 79 6.900 -23.496 -5.303 1.00 16.63 H new ATOM 0 HG3 LYS B 79 6.575 -23.175 -6.794 1.00 16.63 H new ATOM 0 HD2 LYS B 79 8.937 -23.783 -7.237 1.00 18.95 H new ATOM 0 HD3 LYS B 79 8.903 -24.445 -5.825 1.00 18.95 H new ATOM 0 HE2 LYS B 79 8.118 -25.602 -8.094 1.00 20.91 H new ATOM 0 HE3 LYS B 79 8.043 -26.248 -6.677 1.00 20.91 H new ATOM 0 HZ1 LYS B 79 5.967 -26.233 -7.621 1.00 23.75 H new ATOM 0 HZ2 LYS B 79 5.920 -25.368 -6.455 1.00 23.75 H new ATOM 0 HZ3 LYS B 79 5.990 -24.790 -7.786 1.00 23.75 H new ATOM 1516 N GLU B 80 6.875 -20.648 -3.148 1.00 10.22 N ATOM 1517 CA GLU B 80 6.475 -21.014 -1.793 1.00 10.55 C ATOM 1518 C GLU B 80 5.461 -20.081 -1.138 1.00 10.71 C ATOM 1519 O GLU B 80 4.867 -20.455 -0.123 1.00 10.59 O ATOM 1520 CB GLU B 80 7.715 -21.197 -0.906 1.00 10.82 C ATOM 1521 CG GLU B 80 8.396 -19.902 -0.521 1.00 11.43 C ATOM 1522 CD GLU B 80 9.744 -20.083 0.152 1.00 12.63 C ATOM 1523 OE1 GLU B 80 10.250 -21.216 0.229 1.00 12.32 O ATOM 1524 OE2 GLU B 80 10.321 -19.057 0.600 1.00 13.00 O ATOM 0 H GLU B 80 7.567 -20.139 -3.193 1.00 10.22 H new ATOM 0 HA GLU B 80 6.002 -21.856 -1.882 1.00 10.55 H new ATOM 0 HB2 GLU B 80 7.456 -21.668 -0.098 1.00 10.82 H new ATOM 0 HB3 GLU B 80 8.353 -21.761 -1.371 1.00 10.82 H new ATOM 0 HG2 GLU B 80 8.514 -19.361 -1.318 1.00 11.43 H new ATOM 0 HG3 GLU B 80 7.813 -19.406 0.075 1.00 11.43 H new ATOM 1525 N PHE B 81 5.277 -18.864 -1.665 1.00 11.03 N ATOM 1526 CA PHE B 81 4.336 -17.912 -1.065 1.00 11.15 C ATOM 1527 C PHE B 81 2.911 -18.475 -0.925 1.00 11.47 C ATOM 1528 O PHE B 81 2.323 -18.316 0.139 1.00 12.18 O ATOM 1529 CB PHE B 81 4.316 -16.538 -1.788 1.00 13.02 C ATOM 1530 CG PHE B 81 5.058 -15.437 -1.050 1.00 13.73 C ATOM 1531 CD1 PHE B 81 6.433 -15.293 -1.145 1.00 17.18 C ATOM 1532 CD2 PHE B 81 4.367 -14.526 -0.275 1.00 17.06 C ATOM 1533 CE1 PHE B 81 7.111 -14.269 -0.454 1.00 16.65 C ATOM 1534 CE2 PHE B 81 5.035 -13.520 0.416 1.00 17.13 C ATOM 1535 CZ PHE B 81 6.408 -13.396 0.329 1.00 15.28 C ATOM 0 H PHE B 81 5.685 -18.573 -2.364 1.00 11.03 H new ATOM 0 HA PHE B 81 4.676 -17.763 -0.169 1.00 11.15 H new ATOM 0 HB2 PHE B 81 4.706 -16.642 -2.670 1.00 13.02 H new ATOM 0 HB3 PHE B 81 3.394 -16.264 -1.916 1.00 13.02 H new ATOM 0 HD1 PHE B 81 6.918 -15.884 -1.675 1.00 17.18 H new ATOM 0 HD2 PHE B 81 3.441 -14.586 -0.214 1.00 17.06 H new ATOM 0 HE1 PHE B 81 8.034 -14.187 -0.530 1.00 16.65 H new ATOM 0 HE2 PHE B 81 4.552 -12.925 0.942 1.00 17.13 H new ATOM 0 HZ PHE B 81 6.850 -12.726 0.798 1.00 15.28 H new ATOM 1536 N PRO B 82 2.343 -19.132 -1.944 1.00 12.14 N ATOM 1537 CA PRO B 82 1.010 -19.703 -1.774 1.00 12.09 C ATOM 1538 C PRO B 82 0.946 -20.760 -0.674 1.00 11.30 C ATOM 1539 O PRO B 82 -0.071 -20.878 0.003 1.00 12.12 O ATOM 1540 CB PRO B 82 0.709 -20.306 -3.147 1.00 12.79 C ATOM 1541 CG PRO B 82 1.541 -19.505 -4.069 1.00 14.48 C ATOM 1542 CD PRO B 82 2.818 -19.280 -3.328 1.00 12.32 C ATOM 0 HA PRO B 82 0.364 -19.037 -1.493 1.00 12.09 H new ATOM 0 HB2 PRO B 82 0.942 -21.247 -3.182 1.00 12.79 H new ATOM 0 HB3 PRO B 82 -0.233 -20.239 -3.367 1.00 12.79 H new ATOM 0 HG2 PRO B 82 1.696 -19.975 -4.903 1.00 14.48 H new ATOM 0 HG3 PRO B 82 1.111 -18.665 -4.293 1.00 14.48 H new ATOM 0 HD2 PRO B 82 3.430 -20.026 -3.424 1.00 12.32 H new ATOM 0 HD3 PRO B 82 3.284 -18.488 -3.639 1.00 12.32 H new ATOM 1543 N TYR B 83 2.017 -21.535 -0.507 1.00 9.99 N ATOM 1544 CA TYR B 83 2.084 -22.555 0.534 1.00 10.22 C ATOM 1545 C TYR B 83 2.128 -21.926 1.936 1.00 9.89 C ATOM 1546 O TYR B 83 1.439 -22.394 2.862 1.00 11.32 O ATOM 1547 CB TYR B 83 3.283 -23.459 0.336 1.00 10.44 C ATOM 1548 CG TYR B 83 3.404 -24.085 -1.030 1.00 10.13 C ATOM 1549 CD1 TYR B 83 2.285 -24.373 -1.804 1.00 11.92 C ATOM 1550 CD2 TYR B 83 4.653 -24.406 -1.537 1.00 11.25 C ATOM 1551 CE1 TYR B 83 2.423 -24.967 -3.062 1.00 11.54 C ATOM 1552 CE2 TYR B 83 4.804 -24.991 -2.779 1.00 11.05 C ATOM 1553 CZ TYR B 83 3.695 -25.256 -3.545 1.00 11.60 C ATOM 1554 OH TYR B 83 3.830 -25.844 -4.798 1.00 14.81 O ATOM 0 H TYR B 83 2.724 -21.483 -0.994 1.00 9.99 H new ATOM 0 HA TYR B 83 1.277 -23.088 0.463 1.00 10.22 H new ATOM 0 HB2 TYR B 83 4.088 -22.947 0.512 1.00 10.44 H new ATOM 0 HB3 TYR B 83 3.247 -24.168 0.997 1.00 10.44 H new ATOM 0 HD1 TYR B 83 1.437 -24.169 -1.482 1.00 11.92 H new ATOM 0 HD2 TYR B 83 5.409 -24.223 -1.028 1.00 11.25 H new ATOM 0 HE1 TYR B 83 1.671 -25.167 -3.571 1.00 11.54 H new ATOM 0 HE2 TYR B 83 5.652 -25.204 -3.095 1.00 11.05 H new ATOM 0 HH TYR B 83 3.193 -25.604 -5.291 1.00 14.81 H new HETATM 1555 N MSE B 84 2.886 -20.844 2.077 1.00 10.19 N HETATM 1556 CA MSE B 84 2.941 -20.091 3.323 1.00 11.24 C HETATM 1557 C MSE B 84 1.560 -19.528 3.659 1.00 12.54 C HETATM 1558 O MSE B 84 1.122 -19.616 4.815 1.00 12.50 O HETATM 1559 CB MSE B 84 3.954 -18.954 3.210 1.00 11.15 C HETATM 1560 CG MSE B 84 5.403 -19.427 3.175 1.00 11.19 C HETATM 1561 SE MSE B 84 6.709 -18.111 2.684 1.00 15.46 SE HETATM 1562 CE MSE B 84 6.262 -16.814 3.979 1.00 14.10 C HETATM 0 H MSE B 84 3.383 -20.526 1.452 1.00 10.19 H new HETATM 0 HA MSE B 84 3.219 -20.689 4.034 1.00 11.24 H new HETATM 0 HB2 MSE B 84 3.769 -18.445 2.405 1.00 11.15 H new HETATM 0 HB3 MSE B 84 3.837 -18.351 3.961 1.00 11.15 H new HETATM 0 HG2 MSE B 84 5.633 -19.773 4.052 1.00 11.19 H new HETATM 0 HG3 MSE B 84 5.467 -20.168 2.552 1.00 11.19 H new HETATM 0 HE1 MSE B 84 6.843 -16.044 3.880 1.00 14.10 H new HETATM 0 HE2 MSE B 84 5.339 -16.540 3.858 1.00 14.10 H new HETATM 0 HE3 MSE B 84 6.373 -17.190 4.866 1.00 14.10 H new ATOM 1563 N ALA B 85 0.885 -18.943 2.674 1.00 11.67 N ATOM 1564 CA ALA B 85 -0.446 -18.383 2.912 1.00 12.15 C ATOM 1565 C ALA B 85 -1.423 -19.457 3.363 1.00 12.78 C ATOM 1566 O ALA B 85 -2.212 -19.231 4.282 1.00 13.44 O ATOM 1567 CB ALA B 85 -0.968 -17.686 1.674 1.00 12.79 C ATOM 0 H ALA B 85 1.174 -18.859 1.868 1.00 11.67 H new ATOM 0 HA ALA B 85 -0.365 -17.729 3.624 1.00 12.15 H new ATOM 0 HB1 ALA B 85 -1.849 -17.323 1.854 1.00 12.79 H new ATOM 0 HB2 ALA B 85 -0.366 -16.966 1.430 1.00 12.79 H new ATOM 0 HB3 ALA B 85 -1.024 -18.322 0.944 1.00 12.79 H new ATOM 1568 N ASN B 86 -1.394 -20.619 2.718 1.00 11.64 N ATOM 1569 CA AASN B 86 -2.287 -21.760 3.059 0.00 12.38 C ATOM 1570 CA BASN B 86 -2.323 -21.680 3.076 1.00 12.96 C ATOM 1571 C ASN B 86 -2.042 -22.214 4.475 1.00 12.75 C ATOM 1572 O ASN B 86 -2.964 -22.469 5.232 1.00 13.29 O ATOM 1573 CB AASN B 86 -2.029 -22.962 2.133 0.00 13.04 C ATOM 1574 CB BASN B 86 -2.311 -22.812 2.050 1.00 14.46 C ATOM 1575 CG AASN B 86 -2.503 -22.744 0.698 0.00 14.83 C ATOM 1576 CG BASN B 86 -3.524 -23.701 2.176 1.00 16.38 C ATOM 1577 OD1AASN B 86 -3.206 -21.785 0.393 0.00 18.41 O ATOM 1578 OD1BASN B 86 -4.661 -23.219 2.213 1.00 18.36 O ATOM 1579 ND2AASN B 86 -2.100 -23.656 -0.198 0.00 17.54 N ATOM 1580 ND2BASN B 86 -3.300 -24.999 2.272 1.00 16.96 N ATOM 0 H AASN B 86 -0.858 -20.782 2.065 0.00 11.64 H new ATOM 0 H BASN B 86 -0.851 -20.810 2.079 1.00 11.64 H new ATOM 0 HA AASN B 86 -3.200 -21.450 2.952 0.00 12.96 H new ATOM 0 HA BASN B 86 -3.212 -21.292 3.075 1.00 12.96 H new ATOM 0 HB2AASN B 86 -1.079 -23.156 2.125 0.00 14.46 H new ATOM 0 HB2BASN B 86 -2.277 -22.437 1.156 1.00 14.46 H new ATOM 0 HB3AASN B 86 -2.475 -23.743 2.497 0.00 14.46 H new ATOM 0 HB3BASN B 86 -1.508 -23.344 2.165 1.00 14.46 H new ATOM 0 HD21AASN B 86 -2.334 -23.582 -1.022 0.00 16.96 H new ATOM 0 HD21BASN B 86 -3.959 -25.543 2.364 1.00 16.96 H new ATOM 0 HD22AASN B 86 -1.608 -24.316 0.051 0.00 16.96 H new ATOM 0 HD22BASN B 86 -2.495 -25.300 2.242 1.00 16.96 H new ATOM 1581 N GLN B 87 -0.769 -22.364 4.839 1.00 11.77 N ATOM 1582 CA GLN B 87 -0.429 -22.872 6.163 1.00 11.95 C ATOM 1583 C GLN B 87 -0.695 -21.840 7.260 1.00 12.65 C ATOM 1584 O GLN B 87 -1.059 -22.213 8.382 1.00 13.37 O ATOM 1585 CB GLN B 87 1.012 -23.382 6.178 1.00 11.29 C ATOM 1586 CG GLN B 87 1.185 -24.664 5.385 1.00 12.43 C ATOM 1587 CD GLN B 87 0.392 -25.811 5.959 1.00 11.79 C ATOM 1588 OE1 GLN B 87 0.515 -26.106 7.149 1.00 13.40 O ATOM 1589 NE2 GLN B 87 -0.431 -26.445 5.142 1.00 13.71 N ATOM 0 H GLN B 87 -0.095 -22.179 4.338 1.00 11.77 H new ATOM 0 HA GLN B 87 -1.012 -23.622 6.360 1.00 11.95 H new ATOM 0 HB2 GLN B 87 1.597 -22.699 5.814 1.00 11.29 H new ATOM 0 HB3 GLN B 87 1.289 -23.533 7.095 1.00 11.29 H new ATOM 0 HG2 GLN B 87 0.910 -24.512 4.467 1.00 12.43 H new ATOM 0 HG3 GLN B 87 2.125 -24.903 5.364 1.00 12.43 H new ATOM 0 HE21 GLN B 87 -0.486 -26.207 4.317 1.00 13.71 H new ATOM 0 HE22 GLN B 87 -0.911 -27.096 5.435 1.00 13.71 H new ATOM 1590 N TYR B 88 -0.591 -20.563 6.926 1.00 12.19 N ATOM 1591 CA TYR B 88 -0.888 -19.498 7.881 1.00 12.22 C ATOM 1592 C TYR B 88 -2.350 -19.567 8.330 1.00 13.35 C ATOM 1593 O TYR B 88 -2.668 -19.281 9.488 1.00 13.93 O ATOM 1594 CB TYR B 88 -0.576 -18.144 7.271 1.00 12.56 C ATOM 1595 CG TYR B 88 -0.617 -16.970 8.225 1.00 13.00 C ATOM 1596 CD1 TYR B 88 0.233 -16.896 9.322 1.00 14.13 C ATOM 1597 CD2 TYR B 88 -1.473 -15.922 7.992 1.00 13.57 C ATOM 1598 CE1 TYR B 88 0.218 -15.787 10.177 1.00 13.50 C ATOM 1599 CE2 TYR B 88 -1.496 -14.805 8.828 1.00 15.18 C ATOM 1600 CZ TYR B 88 -0.655 -14.757 9.918 1.00 14.03 C ATOM 1601 OH TYR B 88 -0.683 -13.650 10.746 1.00 16.03 O ATOM 0 H TYR B 88 -0.349 -20.287 6.148 1.00 12.19 H new ATOM 0 HA TYR B 88 -0.328 -19.619 8.663 1.00 12.22 H new ATOM 0 HB2 TYR B 88 0.307 -18.184 6.870 1.00 12.56 H new ATOM 0 HB3 TYR B 88 -1.206 -17.978 6.553 1.00 12.56 H new ATOM 0 HD1 TYR B 88 0.822 -17.595 9.491 1.00 14.13 H new ATOM 0 HD2 TYR B 88 -2.049 -15.957 7.263 1.00 13.57 H new ATOM 0 HE1 TYR B 88 0.790 -15.748 10.909 1.00 13.50 H new ATOM 0 HE2 TYR B 88 -2.074 -14.099 8.651 1.00 15.18 H new ATOM 0 HH TYR B 88 0.103 -13.412 10.923 1.00 16.03 H new ATOM 1602 N LYS B 89 -3.234 -19.992 7.442 1.00 13.72 N ATOM 1603 CA LYS B 89 -4.643 -20.152 7.798 1.00 15.57 C ATOM 1604 C LYS B 89 -4.817 -21.160 8.933 1.00 15.34 C ATOM 1605 O LYS B 89 -5.731 -21.045 9.741 1.00 17.55 O ATOM 1606 CB LYS B 89 -5.457 -20.570 6.573 1.00 17.30 C ATOM 1607 CG LYS B 89 -5.519 -19.497 5.509 1.00 19.65 C ATOM 1608 CD LYS B 89 -6.347 -19.937 4.319 1.00 21.66 C ATOM 1609 CE LYS B 89 -6.447 -18.839 3.283 1.00 22.69 C ATOM 1610 NZ LYS B 89 -7.064 -19.339 2.031 1.00 24.54 N ATOM 0 H LYS B 89 -3.044 -20.194 6.628 1.00 13.72 H new ATOM 0 HA LYS B 89 -4.973 -19.296 8.112 1.00 15.57 H new ATOM 0 HB2 LYS B 89 -5.069 -21.374 6.192 1.00 17.30 H new ATOM 0 HB3 LYS B 89 -6.359 -20.795 6.851 1.00 17.30 H new ATOM 0 HG2 LYS B 89 -5.898 -18.688 5.886 1.00 19.65 H new ATOM 0 HG3 LYS B 89 -4.620 -19.279 5.216 1.00 19.65 H new ATOM 0 HD2 LYS B 89 -5.949 -20.726 3.919 1.00 21.66 H new ATOM 0 HD3 LYS B 89 -7.236 -20.187 4.616 1.00 21.66 H new ATOM 0 HE2 LYS B 89 -6.974 -18.105 3.636 1.00 22.69 H new ATOM 0 HE3 LYS B 89 -5.563 -18.488 3.093 1.00 22.69 H new ATOM 0 HZ1 LYS B 89 -7.112 -18.677 1.438 1.00 24.54 H new ATOM 0 HZ2 LYS B 89 -6.568 -19.999 1.698 1.00 24.54 H new ATOM 0 HZ3 LYS B 89 -7.883 -19.642 2.204 1.00 24.54 H new ATOM 1611 N HIS B 90 -3.942 -22.149 8.994 1.00 15.30 N ATOM 1612 CA HIS B 90 -3.951 -23.175 10.035 1.00 16.11 C ATOM 1613 C AHIS B 90 -3.222 -22.650 11.293 0.50 15.68 C ATOM 1614 C BHIS B 90 -3.132 -22.863 11.294 0.50 14.87 C ATOM 1615 O AHIS B 90 -3.757 -22.711 12.398 0.50 17.55 O ATOM 1616 O BHIS B 90 -3.407 -23.437 12.353 0.50 14.62 O ATOM 1617 CB HIS B 90 -3.342 -24.442 9.427 1.00 18.74 C ATOM 1618 CG HIS B 90 -3.400 -25.658 10.303 1.00 22.44 C ATOM 1619 ND1 HIS B 90 -4.322 -26.667 10.121 1.00 25.62 N ATOM 1620 CD2 HIS B 90 -2.600 -26.060 11.317 1.00 24.80 C ATOM 1621 CE1 HIS B 90 -4.106 -27.623 11.009 1.00 25.53 C ATOM 1622 NE2 HIS B 90 -3.066 -27.279 11.747 1.00 25.84 N ATOM 0 H HIS B 90 -3.309 -22.249 8.420 1.00 15.30 H new ATOM 0 HA AHIS B 90 -4.846 -23.394 10.337 0.50 16.11 H new ATOM 0 HA BHIS B 90 -4.875 -23.252 10.319 0.50 16.11 H new ATOM 0 HB2 HIS B 90 -3.801 -24.638 8.595 1.00 18.74 H new ATOM 0 HB3 HIS B 90 -2.415 -24.264 9.205 1.00 18.74 H new ATOM 0 HD1 HIS B 90 -4.941 -26.674 9.524 1.00 25.62 H new ATOM 0 HD2 HIS B 90 -1.870 -25.597 11.660 1.00 24.80 H new ATOM 0 HE1 HIS B 90 -4.602 -28.405 11.099 1.00 25.53 H new ATOM 1623 N APHE B 91 -2.052 -22.038 11.122 0.50 13.43 N ATOM 1624 N BPHE B 91 -2.103 -22.015 11.176 0.50 12.86 N ATOM 1625 CA APHE B 91 -1.138 -21.828 12.241 0.50 12.61 C ATOM 1626 CA BPHE B 91 -1.143 -21.828 12.260 0.50 12.41 C ATOM 1627 C PHE B 91 -1.248 -20.473 12.965 1.00 12.59 C ATOM 1628 O PHE B 91 -0.751 -20.325 14.085 1.00 11.49 O ATOM 1629 CB PHE B 91 0.298 -22.056 11.759 1.00 12.51 C ATOM 1630 CG PHE B 91 0.686 -23.506 11.680 1.00 12.30 C ATOM 1631 CD1 PHE B 91 0.706 -24.166 10.458 1.00 11.61 C ATOM 1632 CD2 PHE B 91 1.050 -24.203 12.812 1.00 11.78 C ATOM 1633 CE1 PHE B 91 1.071 -25.497 10.378 1.00 12.46 C ATOM 1634 CE2 PHE B 91 1.409 -25.532 12.751 1.00 12.97 C ATOM 1635 CZ PHE B 91 1.418 -26.187 11.529 1.00 12.09 C ATOM 0 H APHE B 91 -1.770 -21.738 10.367 0.50 12.86 H new ATOM 0 H BPHE B 91 -1.947 -21.541 10.475 0.50 12.86 H new ATOM 0 HA APHE B 91 -1.402 -22.475 12.914 0.50 12.41 H new ATOM 0 HA BPHE B 91 -1.371 -22.496 12.925 0.50 12.41 H new ATOM 0 HB2APHE B 91 0.405 -21.653 10.883 0.50 12.51 H new ATOM 0 HB2BPHE B 91 0.394 -21.655 10.881 0.50 12.51 H new ATOM 0 HB3APHE B 91 0.908 -21.598 12.358 0.50 12.51 H new ATOM 0 HB3BPHE B 91 0.914 -21.596 12.350 0.50 12.51 H new ATOM 0 HD1 PHE B 91 0.471 -23.707 9.684 1.00 11.61 H new ATOM 0 HD2 PHE B 91 1.053 -23.767 13.634 1.00 11.78 H new ATOM 0 HE1 PHE B 91 1.084 -25.928 9.554 1.00 12.46 H new ATOM 0 HE2 PHE B 91 1.644 -25.988 13.527 1.00 12.97 H new ATOM 0 HZ PHE B 91 1.656 -27.085 11.482 1.00 12.09 H new ATOM 1636 N LYS B 92 -1.894 -19.477 12.356 1.00 12.05 N ATOM 1637 CA LYS B 92 -2.106 -18.194 13.040 1.00 12.92 C ATOM 1638 C LYS B 92 -2.789 -18.431 14.394 1.00 12.83 C ATOM 1639 O LYS B 92 -2.376 -17.882 15.421 1.00 13.47 O ATOM 1640 CB LYS B 92 -2.925 -17.233 12.174 1.00 14.69 C ATOM 1641 CG LYS B 92 -3.023 -15.825 12.734 1.00 17.35 C ATOM 1642 CD LYS B 92 -3.831 -14.891 11.834 1.00 19.81 C ATOM 1643 CE LYS B 92 -4.041 -13.549 12.518 1.00 22.04 C ATOM 1644 NZ LYS B 92 -2.768 -12.863 12.816 1.00 24.22 N ATOM 0 H LYS B 92 -2.214 -19.520 11.559 1.00 12.05 H new ATOM 0 HA LYS B 92 -1.242 -17.781 13.194 1.00 12.92 H new ATOM 0 HB2 LYS B 92 -2.529 -17.192 11.290 1.00 14.69 H new ATOM 0 HB3 LYS B 92 -3.820 -17.592 12.068 1.00 14.69 H new ATOM 0 HG2 LYS B 92 -3.433 -15.858 13.612 1.00 17.35 H new ATOM 0 HG3 LYS B 92 -2.130 -15.464 12.851 1.00 17.35 H new ATOM 0 HD2 LYS B 92 -3.368 -14.763 10.992 1.00 19.81 H new ATOM 0 HD3 LYS B 92 -4.689 -15.293 11.627 1.00 19.81 H new ATOM 0 HE2 LYS B 92 -4.586 -12.982 11.951 1.00 22.04 H new ATOM 0 HE3 LYS B 92 -4.534 -13.683 13.343 1.00 22.04 H new ATOM 0 HZ1 LYS B 92 -2.890 -11.982 12.780 1.00 24.22 H new ATOM 0 HZ2 LYS B 92 -2.491 -13.091 13.631 1.00 24.22 H new ATOM 0 HZ3 LYS B 92 -2.155 -13.102 12.217 1.00 24.22 H new ATOM 1645 N SER B 93 -3.792 -19.292 14.402 1.00 10.82 N ATOM 1646 CA SER B 93 -4.543 -19.587 15.619 1.00 11.75 C ATOM 1647 C SER B 93 -3.873 -20.605 16.536 1.00 11.01 C ATOM 1648 O SER B 93 -4.417 -20.981 17.571 1.00 11.17 O ATOM 1649 CB SER B 93 -5.967 -20.009 15.253 1.00 12.27 C ATOM 1650 OG SER B 93 -5.988 -21.243 14.586 1.00 16.42 O ATOM 0 H SER B 93 -4.059 -19.723 13.707 1.00 10.82 H new ATOM 0 HA SER B 93 -4.568 -18.769 16.139 1.00 11.75 H new ATOM 0 HB2 SER B 93 -6.504 -20.067 16.058 1.00 12.27 H new ATOM 0 HB3 SER B 93 -6.371 -19.330 14.691 1.00 12.27 H new ATOM 0 HG SER B 93 -5.852 -21.121 13.766 1.00 16.42 H new ATOM 1651 N GLN B 94 -2.679 -21.049 16.160 1.00 11.06 N ATOM 1652 CA GLN B 94 -1.830 -21.869 17.013 1.00 11.84 C ATOM 1653 C GLN B 94 -0.637 -21.084 17.567 1.00 10.31 C ATOM 1654 O GLN B 94 0.250 -21.679 18.171 1.00 12.74 O ATOM 1655 CB AGLN B 94 -1.305 -23.071 16.225 0.30 12.69 C ATOM 1656 CB BGLN B 94 -1.345 -23.096 16.261 0.70 13.38 C ATOM 1657 CG AGLN B 94 -2.386 -23.984 15.683 0.30 13.83 C ATOM 1658 CG BGLN B 94 -2.474 -24.022 15.866 0.70 15.08 C ATOM 1659 CD AGLN B 94 -2.993 -24.844 16.766 0.30 14.76 C ATOM 1660 CD BGLN B 94 -1.970 -25.350 15.378 0.70 16.49 C ATOM 1661 OE1AGLN B 94 -2.343 -25.760 17.267 0.30 16.40 O ATOM 1662 OE1BGLN B 94 -1.456 -26.148 16.156 0.70 18.53 O ATOM 1663 NE2AGLN B 94 -4.229 -24.551 17.136 0.30 15.90 N ATOM 1664 NE2BGLN B 94 -2.093 -25.585 14.087 0.70 17.03 N ATOM 0 H GLN B 94 -2.335 -20.879 15.390 1.00 11.06 H new ATOM 0 HA GLN B 94 -2.375 -22.162 17.760 1.00 11.84 H new ATOM 0 HB2AGLN B 94 -0.768 -22.749 15.484 0.30 13.38 H new ATOM 0 HB2BGLN B 94 -0.868 -22.815 15.464 0.70 13.38 H new ATOM 0 HB3AGLN B 94 -0.717 -23.588 16.798 0.30 13.38 H new ATOM 0 HB3BGLN B 94 -0.712 -23.581 16.814 0.70 13.38 H new ATOM 0 HG2AGLN B 94 -3.081 -23.450 15.267 0.30 15.08 H new ATOM 0 HG2BGLN B 94 -3.060 -24.159 16.627 0.70 15.08 H new ATOM 0 HG3AGLN B 94 -2.012 -24.552 14.991 0.30 15.08 H new ATOM 0 HG3BGLN B 94 -3.006 -23.604 15.171 0.70 15.08 H new ATOM 0 HE21AGLN B 94 -4.648 -23.901 16.759 0.30 17.03 H new ATOM 0 HE21BGLN B 94 -2.460 -24.998 13.576 0.70 17.03 H new ATOM 0 HE22AGLN B 94 -4.613 -25.010 17.753 0.30 17.03 H new ATOM 0 HE22BGLN B 94 -1.806 -26.325 13.755 0.70 17.03 H new ATOM 1665 N GLY B 95 -0.587 -19.777 17.319 1.00 9.79 N ATOM 1666 CA GLY B 95 0.440 -18.917 17.870 1.00 10.17 C ATOM 1667 C GLY B 95 1.729 -18.829 17.074 1.00 9.76 C ATOM 1668 O GLY B 95 2.770 -18.556 17.655 1.00 10.15 O ATOM 0 H GLY B 95 -1.156 -19.367 16.821 1.00 9.79 H new ATOM 0 HA2 GLY B 95 0.075 -18.023 17.960 1.00 10.17 H new ATOM 0 HA3 GLY B 95 0.653 -19.228 18.764 1.00 10.17 H new ATOM 1669 N VAL B 96 1.668 -19.048 15.765 1.00 9.05 N ATOM 1670 CA VAL B 96 2.804 -18.796 14.876 1.00 10.41 C ATOM 1671 C VAL B 96 2.511 -17.551 14.073 1.00 10.11 C ATOM 1672 O VAL B 96 1.395 -17.378 13.566 1.00 12.87 O ATOM 1673 CB VAL B 96 3.073 -19.984 13.939 1.00 11.24 C ATOM 1674 CG1 VAL B 96 4.255 -19.701 13.011 1.00 13.52 C ATOM 1675 CG2 VAL B 96 3.341 -21.240 14.758 1.00 12.93 C ATOM 0 H VAL B 96 0.968 -19.347 15.364 1.00 9.05 H new ATOM 0 HA VAL B 96 3.603 -18.675 15.413 1.00 10.41 H new ATOM 0 HB VAL B 96 2.286 -20.120 13.389 1.00 11.24 H new ATOM 0 HG11 VAL B 96 4.402 -20.465 12.432 1.00 13.52 H new ATOM 0 HG12 VAL B 96 4.062 -18.919 12.471 1.00 13.52 H new ATOM 0 HG13 VAL B 96 5.051 -19.539 13.541 1.00 13.52 H new ATOM 0 HG21 VAL B 96 3.510 -21.986 14.161 1.00 12.93 H new ATOM 0 HG22 VAL B 96 4.115 -21.098 15.325 1.00 12.93 H new ATOM 0 HG23 VAL B 96 2.569 -21.437 15.311 1.00 12.93 H new ATOM 1676 N GLU B 97 3.485 -16.654 14.004 1.00 10.50 N ATOM 1677 CA GLU B 97 3.396 -15.474 13.151 1.00 11.15 C ATOM 1678 C GLU B 97 4.378 -15.594 12.020 1.00 11.44 C ATOM 1679 O GLU B 97 5.488 -16.095 12.219 1.00 11.71 O ATOM 1680 CB GLU B 97 3.713 -14.216 13.955 1.00 12.65 C ATOM 1681 CG GLU B 97 3.538 -12.874 13.227 1.00 12.83 C ATOM 1682 CD GLU B 97 2.126 -12.676 12.738 1.00 15.88 C ATOM 1683 OE1 GLU B 97 1.376 -11.861 13.333 1.00 19.91 O ATOM 1684 OE2 GLU B 97 1.731 -13.360 11.770 1.00 15.08 O ATOM 0 H GLU B 97 4.218 -16.711 14.450 1.00 10.50 H new ATOM 0 HA GLU B 97 2.494 -15.411 12.800 1.00 11.15 H new ATOM 0 HB2 GLU B 97 3.148 -14.209 14.744 1.00 12.65 H new ATOM 0 HB3 GLU B 97 4.631 -14.276 14.264 1.00 12.65 H new ATOM 0 HG2 GLU B 97 3.777 -12.149 13.825 1.00 12.83 H new ATOM 0 HG3 GLU B 97 4.149 -12.833 12.474 1.00 12.83 H new ATOM 1685 N ILE B 98 3.995 -15.155 10.826 1.00 10.41 N ATOM 1686 CA ILE B 98 4.969 -15.005 9.727 1.00 10.17 C ATOM 1687 C ILE B 98 5.438 -13.569 9.702 1.00 10.75 C ATOM 1688 O ILE B 98 4.626 -12.650 9.840 1.00 11.27 O ATOM 1689 CB ILE B 98 4.322 -15.345 8.387 1.00 11.45 C ATOM 1690 CG1 ILE B 98 3.979 -16.830 8.317 1.00 11.42 C ATOM 1691 CG2 ILE B 98 5.253 -14.933 7.235 1.00 12.77 C ATOM 1692 CD1 ILE B 98 3.079 -17.187 7.161 1.00 12.62 C ATOM 0 H ILE B 98 3.187 -14.939 10.624 1.00 10.41 H new ATOM 0 HA ILE B 98 5.714 -15.609 9.872 1.00 10.17 H new ATOM 0 HB ILE B 98 3.493 -14.848 8.302 1.00 11.45 H new ATOM 0 HG12 ILE B 98 4.800 -17.341 8.248 1.00 11.42 H new ATOM 0 HG13 ILE B 98 3.549 -17.095 9.145 1.00 11.42 H new ATOM 0 HG21 ILE B 98 4.836 -15.152 6.387 1.00 12.77 H new ATOM 0 HG22 ILE B 98 5.417 -13.978 7.277 1.00 12.77 H new ATOM 0 HG23 ILE B 98 6.095 -15.409 7.313 1.00 12.77 H new ATOM 0 HD11 ILE B 98 2.900 -18.140 7.173 1.00 12.62 H new ATOM 0 HD12 ILE B 98 2.244 -16.700 7.239 1.00 12.62 H new ATOM 0 HD13 ILE B 98 3.514 -16.951 6.327 1.00 12.62 H new ATOM 1693 N VAL B 99 6.720 -13.349 9.532 1.00 10.11 N ATOM 1694 CA VAL B 99 7.239 -12.042 9.223 1.00 10.15 C ATOM 1695 C VAL B 99 8.039 -12.210 7.942 1.00 8.86 C ATOM 1696 O VAL B 99 9.104 -12.826 7.940 1.00 9.89 O ATOM 1697 CB VAL B 99 8.084 -11.445 10.352 1.00 11.08 C ATOM 1698 CG1 VAL B 99 8.675 -10.111 9.927 1.00 12.21 C ATOM 1699 CG2 VAL B 99 7.228 -11.291 11.616 1.00 11.88 C ATOM 0 H VAL B 99 7.321 -13.961 9.593 1.00 10.11 H new ATOM 0 HA VAL B 99 6.514 -11.407 9.113 1.00 10.15 H new ATOM 0 HB VAL B 99 8.820 -12.046 10.549 1.00 11.08 H new ATOM 0 HG11 VAL B 99 9.207 -9.747 10.652 1.00 12.21 H new ATOM 0 HG12 VAL B 99 9.237 -10.240 9.147 1.00 12.21 H new ATOM 0 HG13 VAL B 99 7.959 -9.494 9.710 1.00 12.21 H new ATOM 0 HG21 VAL B 99 7.767 -10.913 12.328 1.00 11.88 H new ATOM 0 HG22 VAL B 99 6.479 -10.703 11.430 1.00 11.88 H new ATOM 0 HG23 VAL B 99 6.895 -12.160 11.890 1.00 11.88 H new ATOM 1700 N ALA B 100 7.506 -11.680 6.843 1.00 8.28 N ATOM 1701 CA ALA B 100 8.113 -11.837 5.538 1.00 8.54 C ATOM 1702 C ALA B 100 8.906 -10.572 5.192 1.00 7.72 C ATOM 1703 O ALA B 100 8.324 -9.527 4.889 1.00 9.07 O ATOM 1704 CB ALA B 100 7.060 -12.148 4.508 1.00 9.34 C ATOM 0 H ALA B 100 6.780 -11.219 6.840 1.00 8.28 H new ATOM 0 HA ALA B 100 8.731 -12.585 5.547 1.00 8.54 H new ATOM 0 HB1 ALA B 100 7.478 -12.251 3.639 1.00 9.34 H new ATOM 0 HB2 ALA B 100 6.606 -12.971 4.747 1.00 9.34 H new ATOM 0 HB3 ALA B 100 6.417 -11.423 4.473 1.00 9.34 H new ATOM 1705 N VAL B 101 10.212 -10.640 5.334 1.00 8.22 N ATOM 1706 CA VAL B 101 11.116 -9.518 5.170 1.00 8.74 C ATOM 1707 C VAL B 101 11.494 -9.355 3.702 1.00 8.64 C ATOM 1708 O VAL B 101 12.236 -10.159 3.147 1.00 9.61 O ATOM 1709 CB VAL B 101 12.413 -9.732 5.972 1.00 9.85 C ATOM 1710 CG1 VAL B 101 13.310 -8.515 5.871 1.00 11.03 C ATOM 1711 CG2 VAL B 101 12.140 -10.038 7.447 1.00 10.74 C ATOM 0 H VAL B 101 10.617 -11.371 5.537 1.00 8.22 H new ATOM 0 HA VAL B 101 10.657 -8.727 5.493 1.00 8.74 H new ATOM 0 HB VAL B 101 12.857 -10.501 5.582 1.00 9.85 H new ATOM 0 HG11 VAL B 101 14.121 -8.667 6.381 1.00 11.03 H new ATOM 0 HG12 VAL B 101 13.538 -8.357 4.942 1.00 11.03 H new ATOM 0 HG13 VAL B 101 12.846 -7.740 6.226 1.00 11.03 H new ATOM 0 HG21 VAL B 101 12.981 -10.165 7.912 1.00 10.74 H new ATOM 0 HG22 VAL B 101 11.658 -9.298 7.847 1.00 10.74 H new ATOM 0 HG23 VAL B 101 11.607 -10.846 7.517 1.00 10.74 H new ATOM 1712 N ASN B 102 10.990 -8.278 3.084 1.00 9.09 N ATOM 1713 CA ASN B 102 11.353 -7.959 1.717 1.00 8.56 C ATOM 1714 C ASN B 102 12.725 -7.316 1.710 1.00 9.10 C ATOM 1715 O ASN B 102 12.998 -6.376 2.465 1.00 10.48 O ATOM 1716 CB ASN B 102 10.342 -7.031 1.068 1.00 9.00 C ATOM 1717 CG ASN B 102 10.796 -6.623 -0.288 1.00 8.67 C ATOM 1718 OD1 ASN B 102 11.513 -5.611 -0.420 1.00 10.34 O ATOM 1719 ND2 ASN B 102 10.509 -7.444 -1.291 1.00 9.98 N ATOM 0 H ASN B 102 10.438 -7.727 3.446 1.00 9.09 H new ATOM 0 HA ASN B 102 11.364 -8.781 1.202 1.00 8.56 H new ATOM 0 HB2 ASN B 102 9.482 -7.475 1.006 1.00 9.00 H new ATOM 0 HB3 ASN B 102 10.216 -6.245 1.622 1.00 9.00 H new ATOM 0 HD21 ASN B 102 10.822 -7.289 -2.077 1.00 9.98 H new ATOM 0 HD22 ASN B 102 10.010 -8.131 -1.155 1.00 9.98 H new ATOM 1720 N VAL B 103 13.571 -7.781 0.808 1.00 9.67 N ATOM 1721 CA VAL B 103 14.958 -7.344 0.762 1.00 10.92 C ATOM 1722 C VAL B 103 15.103 -6.180 -0.240 1.00 11.95 C ATOM 1723 O VAL B 103 15.247 -6.381 -1.457 1.00 14.43 O ATOM 1724 CB AVAL B 103 15.935 -8.509 0.466 0.30 11.62 C ATOM 1725 CB BVAL B 103 15.889 -8.498 0.344 0.70 11.67 C ATOM 1726 CG1AVAL B 103 15.842 -9.576 1.566 0.30 11.76 C ATOM 1727 CG1BVAL B 103 17.358 -8.025 0.324 0.70 11.95 C ATOM 1728 CG2AVAL B 103 15.714 -9.119 -0.909 0.30 12.28 C ATOM 1729 CG2BVAL B 103 15.728 -9.691 1.282 0.70 12.22 C ATOM 0 H VAL B 103 13.361 -8.357 0.205 1.00 9.67 H new ATOM 0 HA VAL B 103 15.207 -7.020 1.642 1.00 10.92 H new ATOM 0 HB AVAL B 103 16.832 -8.140 0.463 0.30 11.67 H new ATOM 0 HB BVAL B 103 15.641 -8.779 -0.551 0.70 11.67 H new ATOM 0 HG11AVAL B 103 16.458 -10.299 1.369 0.30 11.95 H new ATOM 0 HG11BVAL B 103 17.932 -8.761 0.059 0.70 11.95 H new ATOM 0 HG12AVAL B 103 16.072 -9.180 2.421 0.30 11.95 H new ATOM 0 HG12BVAL B 103 17.455 -7.296 -0.309 0.70 11.95 H new ATOM 0 HG13AVAL B 103 14.937 -9.924 1.604 0.30 11.95 H new ATOM 0 HG13BVAL B 103 17.612 -7.720 1.209 0.70 11.95 H new ATOM 0 HG21AVAL B 103 16.346 -9.841 -1.048 0.30 12.22 H new ATOM 0 HG21BVAL B 103 16.322 -10.405 1.002 0.70 12.22 H new ATOM 0 HG22AVAL B 103 14.810 -9.465 -0.968 0.30 12.22 H new ATOM 0 HG22BVAL B 103 15.950 -9.423 2.188 0.70 12.22 H new ATOM 0 HG23AVAL B 103 15.845 -8.440 -1.589 0.30 12.22 H new ATOM 0 HG23BVAL B 103 14.810 -10.004 1.253 0.70 12.22 H new ATOM 1730 N GLY B 104 14.979 -4.966 0.279 1.00 10.90 N ATOM 1731 CA GLY B 104 15.437 -3.784 -0.420 1.00 11.46 C ATOM 1732 C GLY B 104 14.505 -3.105 -1.394 1.00 10.40 C ATOM 1733 O GLY B 104 14.883 -2.060 -1.939 1.00 11.39 O ATOM 0 H GLY B 104 14.626 -4.808 1.047 1.00 10.90 H new ATOM 0 HA2 GLY B 104 15.691 -3.128 0.248 1.00 11.46 H new ATOM 0 HA3 GLY B 104 16.243 -4.023 -0.904 1.00 11.46 H new ATOM 1734 N GLU B 105 13.330 -3.654 -1.650 1.00 8.81 N ATOM 1735 CA GLU B 105 12.447 -3.103 -2.684 1.00 8.85 C ATOM 1736 C GLU B 105 11.484 -2.042 -2.150 1.00 9.19 C ATOM 1737 O GLU B 105 11.358 -1.833 -0.937 1.00 10.33 O ATOM 1738 CB GLU B 105 11.713 -4.241 -3.402 1.00 8.97 C ATOM 1739 CG GLU B 105 12.675 -5.191 -4.099 1.00 9.85 C ATOM 1740 CD GLU B 105 11.957 -6.369 -4.695 1.00 10.46 C ATOM 1741 OE1 GLU B 105 11.665 -7.318 -3.941 1.00 11.28 O ATOM 1742 OE2 GLU B 105 11.654 -6.355 -5.918 1.00 11.72 O ATOM 0 H GLU B 105 13.019 -4.344 -1.242 1.00 8.81 H new ATOM 0 HA GLU B 105 13.004 -2.637 -3.327 1.00 8.85 H new ATOM 0 HB2 GLU B 105 11.179 -4.736 -2.761 1.00 8.97 H new ATOM 0 HB3 GLU B 105 11.099 -3.868 -4.054 1.00 8.97 H new ATOM 0 HG2 GLU B 105 13.152 -4.715 -4.797 1.00 9.85 H new ATOM 0 HG3 GLU B 105 13.339 -5.503 -3.464 1.00 9.85 H new ATOM 1743 N SER B 106 10.817 -1.378 -3.075 1.00 9.22 N ATOM 1744 CA SER B 106 9.965 -0.228 -2.755 1.00 9.18 C ATOM 1745 C SER B 106 8.608 -0.673 -2.245 1.00 9.98 C ATOM 1746 O SER B 106 8.162 -1.787 -2.478 1.00 9.51 O ATOM 1747 CB SER B 106 9.800 0.657 -4.002 1.00 8.93 C ATOM 1748 OG SER B 106 8.998 0.004 -4.968 1.00 10.31 O ATOM 0 H SER B 106 10.840 -1.575 -3.912 1.00 9.22 H new ATOM 0 HA SER B 106 10.393 0.283 -2.050 1.00 9.18 H new ATOM 0 HB2 SER B 106 9.394 1.502 -3.754 1.00 8.93 H new ATOM 0 HB3 SER B 106 10.670 0.860 -4.379 1.00 8.93 H new ATOM 0 HG SER B 106 8.914 0.497 -5.643 1.00 10.31 H new ATOM 1749 N LYS B 107 7.956 0.243 -1.549 1.00 10.20 N ATOM 1750 CA LYS B 107 6.586 -0.005 -1.093 1.00 9.74 C ATOM 1751 C LYS B 107 5.639 -0.349 -2.245 1.00 9.75 C ATOM 1752 O LYS B 107 4.801 -1.244 -2.117 1.00 10.39 O ATOM 1753 CB LYS B 107 6.041 1.207 -0.322 1.00 10.16 C ATOM 1754 CG LYS B 107 6.736 1.476 1.025 1.00 13.05 C ATOM 1755 CD LYS B 107 6.253 2.813 1.625 1.00 15.80 C ATOM 1756 CE LYS B 107 6.989 3.147 2.885 1.00 18.27 C ATOM 1757 NZ LYS B 107 6.595 4.445 3.462 1.00 22.99 N ATOM 0 H LYS B 107 8.279 1.009 -1.329 1.00 10.20 H new ATOM 0 HA LYS B 107 6.626 -0.774 -0.503 1.00 9.74 H new ATOM 0 HB2 LYS B 107 6.127 1.996 -0.880 1.00 10.16 H new ATOM 0 HB3 LYS B 107 5.093 1.074 -0.163 1.00 10.16 H new ATOM 0 HG2 LYS B 107 6.548 0.752 1.642 1.00 13.05 H new ATOM 0 HG3 LYS B 107 7.698 1.500 0.900 1.00 13.05 H new ATOM 0 HD2 LYS B 107 6.379 3.524 0.977 1.00 15.80 H new ATOM 0 HD3 LYS B 107 5.302 2.762 1.808 1.00 15.80 H new ATOM 0 HE2 LYS B 107 6.832 2.448 3.539 1.00 18.27 H new ATOM 0 HE3 LYS B 107 7.942 3.157 2.703 1.00 18.27 H new ATOM 0 HZ1 LYS B 107 7.225 4.723 4.025 1.00 22.99 H new ATOM 0 HZ2 LYS B 107 6.496 5.042 2.810 1.00 22.99 H new ATOM 0 HZ3 LYS B 107 5.826 4.354 3.900 1.00 22.99 H new ATOM 1758 N ILE B 108 5.785 0.305 -3.393 1.00 10.50 N ATOM 1759 CA ILE B 108 4.941 -0.013 -4.549 1.00 10.99 C ATOM 1760 C ILE B 108 5.210 -1.417 -5.086 1.00 11.03 C ATOM 1761 O ILE B 108 4.288 -2.180 -5.381 1.00 10.77 O ATOM 1762 CB AILE B 108 4.987 1.071 -5.665 0.00 12.73 C ATOM 1763 CB BILE B 108 5.103 1.026 -5.679 1.00 13.49 C ATOM 1764 CG1AILE B 108 6.323 1.112 -6.388 0.00 15.36 C ATOM 1765 CG1BILE B 108 4.477 2.347 -5.262 1.00 14.73 C ATOM 1766 CG2AILE B 108 4.644 2.428 -5.125 0.00 13.29 C ATOM 1767 CG2BILE B 108 4.446 0.543 -6.945 1.00 15.56 C ATOM 1768 CD1AILE B 108 6.274 0.458 -7.757 0.00 18.96 C ATOM 1769 CD1BILE B 108 4.724 3.509 -6.205 1.00 18.25 C ATOM 0 H ILE B 108 6.360 0.931 -3.526 1.00 10.50 H new ATOM 0 HA ILE B 108 4.028 -0.006 -4.222 1.00 10.99 H new ATOM 0 HB AILE B 108 4.315 0.816 -6.316 0.00 13.49 H new ATOM 0 HB BILE B 108 6.051 1.150 -5.844 1.00 13.49 H new ATOM 0 HG12AILE B 108 6.605 2.035 -6.485 0.00 14.73 H new ATOM 0 HG12BILE B 108 3.519 2.220 -5.173 1.00 14.73 H new ATOM 0 HG13AILE B 108 6.993 0.667 -5.846 0.00 14.73 H new ATOM 0 HG13BILE B 108 4.814 2.585 -4.384 1.00 14.73 H new ATOM 0 HG21AILE B 108 4.681 3.081 -5.842 0.00 15.56 H new ATOM 0 HG21BILE B 108 4.558 1.208 -7.642 1.00 15.56 H new ATOM 0 HG22AILE B 108 3.750 2.411 -4.750 0.00 15.56 H new ATOM 0 HG22BILE B 108 4.856 -0.290 -7.225 1.00 15.56 H new ATOM 0 HG23AILE B 108 5.279 2.671 -4.434 0.00 15.56 H new ATOM 0 HG23BILE B 108 3.500 0.400 -6.785 1.00 15.56 H new ATOM 0 HD11AILE B 108 7.149 0.512 -8.173 0.00 18.25 H new ATOM 0 HD11BILE B 108 4.290 4.304 -5.859 1.00 18.25 H new ATOM 0 HD12AILE B 108 6.018 -0.473 -7.662 0.00 18.25 H new ATOM 0 HD12BILE B 108 5.678 3.669 -6.279 1.00 18.25 H new ATOM 0 HD13AILE B 108 5.624 0.917 -8.312 0.00 18.25 H new ATOM 0 HD13BILE B 108 4.363 3.298 -7.080 1.00 18.25 H new ATOM 1770 N ALA B 109 6.477 -1.781 -5.261 1.00 10.09 N ATOM 1771 CA ALA B 109 6.788 -3.107 -5.753 1.00 10.74 C ATOM 1772 C ALA B 109 6.242 -4.176 -4.813 1.00 11.05 C ATOM 1773 O ALA B 109 5.729 -5.209 -5.250 1.00 11.39 O ATOM 1774 CB ALA B 109 8.283 -3.245 -5.907 1.00 10.72 C ATOM 0 H ALA B 109 7.158 -1.280 -5.102 1.00 10.09 H new ATOM 0 HA ALA B 109 6.365 -3.232 -6.617 1.00 10.74 H new ATOM 0 HB1 ALA B 109 8.494 -4.133 -6.237 1.00 10.72 H new ATOM 0 HB2 ALA B 109 8.606 -2.582 -6.536 1.00 10.72 H new ATOM 0 HB3 ALA B 109 8.711 -3.110 -5.047 1.00 10.72 H new ATOM 1775 N VAL B 110 6.399 -3.968 -3.517 1.00 10.23 N ATOM 1776 CA VAL B 110 5.933 -4.938 -2.538 1.00 9.88 C ATOM 1777 C VAL B 110 4.401 -5.029 -2.548 1.00 10.48 C ATOM 1778 O VAL B 110 3.860 -6.132 -2.518 1.00 11.04 O ATOM 1779 CB VAL B 110 6.495 -4.619 -1.155 1.00 10.39 C ATOM 1780 CG1 VAL B 110 5.852 -5.466 -0.074 1.00 11.23 C ATOM 1781 CG2 VAL B 110 8.013 -4.819 -1.159 1.00 10.97 C ATOM 0 H VAL B 110 6.773 -3.271 -3.181 1.00 10.23 H new ATOM 0 HA VAL B 110 6.266 -5.816 -2.782 1.00 9.88 H new ATOM 0 HB VAL B 110 6.290 -3.693 -0.953 1.00 10.39 H new ATOM 0 HG11 VAL B 110 6.233 -5.236 0.788 1.00 11.23 H new ATOM 0 HG12 VAL B 110 4.896 -5.301 -0.059 1.00 11.23 H new ATOM 0 HG13 VAL B 110 6.014 -6.404 -0.258 1.00 11.23 H new ATOM 0 HG21 VAL B 110 8.369 -4.616 -0.280 1.00 10.97 H new ATOM 0 HG22 VAL B 110 8.218 -5.740 -1.385 1.00 10.97 H new ATOM 0 HG23 VAL B 110 8.416 -4.228 -1.814 1.00 10.97 H new ATOM 1782 N HIS B 111 3.715 -3.901 -2.646 1.00 10.45 N ATOM 1783 CA HIS B 111 2.251 -3.937 -2.725 1.00 12.11 C ATOM 1784 C HIS B 111 1.799 -4.753 -3.926 1.00 12.19 C ATOM 1785 O HIS B 111 0.890 -5.585 -3.815 1.00 12.63 O ATOM 1786 CB AHIS B 111 1.655 -2.545 -2.812 0.30 13.72 C ATOM 1787 CB BHIS B 111 1.684 -2.519 -2.816 0.70 12.55 C ATOM 1788 CG AHIS B 111 0.162 -2.543 -2.947 0.30 15.36 C ATOM 1789 CG BHIS B 111 0.279 -2.468 -3.338 0.70 13.07 C ATOM 1790 ND1AHIS B 111 -0.661 -1.941 -2.025 0.30 18.46 N ATOM 1791 ND1BHIS B 111 -0.019 -2.167 -4.651 0.70 14.38 N ATOM 1792 CD2AHIS B 111 -0.657 -3.063 -3.894 0.30 17.37 C ATOM 1793 CD2BHIS B 111 -0.907 -2.728 -2.738 0.70 14.81 C ATOM 1794 CE1AHIS B 111 -1.920 -2.078 -2.401 0.30 17.37 C ATOM 1795 CE1BHIS B 111 -1.329 -2.211 -4.830 0.70 13.64 C ATOM 1796 NE2AHIS B 111 -1.945 -2.765 -3.527 0.30 17.75 N ATOM 1797 NE2BHIS B 111 -1.890 -2.537 -3.682 0.70 15.27 N ATOM 0 H HIS B 111 4.064 -3.115 -2.669 1.00 10.45 H new ATOM 0 HA HIS B 111 1.934 -4.354 -1.909 1.00 12.11 H new ATOM 0 HB2AHIS B 111 1.902 -2.045 -2.018 0.30 12.55 H new ATOM 0 HB2BHIS B 111 1.709 -2.111 -1.936 0.70 12.55 H new ATOM 0 HB3AHIS B 111 2.042 -2.082 -3.571 0.30 12.55 H new ATOM 0 HB3BHIS B 111 2.255 -1.987 -3.392 0.70 12.55 H new ATOM 0 HD1AHIS B 111 -0.397 -1.537 -1.313 0.30 14.38 H new ATOM 0 HD1BHIS B 111 0.559 -1.979 -5.260 0.70 14.38 H new ATOM 0 HD2AHIS B 111 -0.395 -3.534 -4.652 0.30 14.81 H new ATOM 0 HD2BHIS B 111 -1.033 -2.987 -1.854 0.70 14.81 H new ATOM 0 HE1AHIS B 111 -2.662 -1.747 -1.949 0.30 13.64 H new ATOM 0 HE1BHIS B 111 -1.777 -2.041 -5.627 0.70 13.64 H new ATOM 1798 N ASN B 112 2.403 -4.525 -5.083 1.00 12.40 N ATOM 1799 CA ASN B 112 1.956 -5.239 -6.285 1.00 11.68 C ATOM 1800 C ASN B 112 2.130 -6.755 -6.159 1.00 13.39 C ATOM 1801 O ASN B 112 1.271 -7.538 -6.570 1.00 13.49 O ATOM 1802 CB ASN B 112 2.693 -4.711 -7.514 1.00 12.81 C ATOM 1803 CG ASN B 112 2.238 -3.312 -7.906 1.00 14.57 C ATOM 1804 OD1 ASN B 112 1.125 -2.921 -7.586 1.00 17.53 O ATOM 1805 ND2 ASN B 112 3.083 -2.575 -8.621 1.00 16.83 N ATOM 0 H ASN B 112 3.056 -3.978 -5.200 1.00 12.40 H new ATOM 0 HA ASN B 112 1.006 -5.072 -6.387 1.00 11.68 H new ATOM 0 HB2 ASN B 112 3.647 -4.701 -7.337 1.00 12.81 H new ATOM 0 HB3 ASN B 112 2.550 -5.316 -8.259 1.00 12.81 H new ATOM 0 HD21 ASN B 112 2.854 -1.787 -8.878 1.00 16.83 H new ATOM 0 HD22 ASN B 112 3.858 -2.886 -8.826 1.00 16.83 H new ATOM 1806 N PHE B 113 3.215 -7.167 -5.553 1.00 10.99 N ATOM 1807 CA PHE B 113 3.458 -8.583 -5.317 1.00 12.33 C ATOM 1808 C PHE B 113 2.444 -9.155 -4.336 1.00 13.91 C ATOM 1809 O PHE B 113 1.903 -10.253 -4.539 1.00 13.20 O ATOM 1810 CB PHE B 113 4.882 -8.752 -4.802 1.00 11.73 C ATOM 1811 CG PHE B 113 5.308 -10.177 -4.624 1.00 12.75 C ATOM 1812 CD1 PHE B 113 6.082 -10.802 -5.585 1.00 13.12 C ATOM 1813 CD2 PHE B 113 4.958 -10.883 -3.484 1.00 13.59 C ATOM 1814 CE1 PHE B 113 6.503 -12.111 -5.404 1.00 13.75 C ATOM 1815 CE2 PHE B 113 5.360 -12.189 -3.323 1.00 14.72 C ATOM 1816 CZ PHE B 113 6.138 -12.792 -4.280 1.00 14.42 C ATOM 0 H PHE B 113 3.834 -6.645 -5.264 1.00 10.99 H new ATOM 0 HA PHE B 113 3.355 -9.075 -6.147 1.00 12.33 H new ATOM 0 HB2 PHE B 113 5.492 -8.318 -5.419 1.00 11.73 H new ATOM 0 HB3 PHE B 113 4.964 -8.292 -3.952 1.00 11.73 H new ATOM 0 HD1 PHE B 113 6.321 -10.342 -6.357 1.00 13.12 H new ATOM 0 HD2 PHE B 113 4.448 -10.472 -2.824 1.00 13.59 H new ATOM 0 HE1 PHE B 113 7.033 -12.523 -6.047 1.00 13.75 H new ATOM 0 HE2 PHE B 113 5.104 -12.664 -2.565 1.00 14.72 H new ATOM 0 HZ PHE B 113 6.418 -13.671 -4.161 1.00 14.42 H new HETATM 1817 N MSE B 114 2.192 -8.441 -3.246 1.00 13.66 N HETATM 1818 CA MSE B 114 1.239 -8.901 -2.230 1.00 14.11 C HETATM 1819 C MSE B 114 -0.157 -9.098 -2.781 1.00 15.14 C HETATM 1820 O MSE B 114 -0.830 -10.052 -2.417 1.00 15.45 O HETATM 1821 CB MSE B 114 1.189 -7.912 -1.060 1.00 14.58 C HETATM 1822 CG MSE B 114 2.449 -7.940 -0.198 1.00 14.25 C HETATM 1823 SE MSE B 114 2.450 -6.637 1.252 1.00 15.99 SE HETATM 1824 CE MSE B 114 1.089 -7.456 2.339 1.00 15.35 C HETATM 0 H MSE B 114 2.561 -7.684 -3.071 1.00 13.66 H new HETATM 0 HA MSE B 114 1.557 -9.765 -1.924 1.00 14.11 H new HETATM 0 HB2 MSE B 114 1.061 -7.015 -1.407 1.00 14.58 H new HETATM 0 HB3 MSE B 114 0.419 -8.114 -0.505 1.00 14.58 H new HETATM 0 HG2 MSE B 114 2.552 -8.828 0.178 1.00 14.25 H new HETATM 0 HG3 MSE B 114 3.220 -7.780 -0.764 1.00 14.25 H new HETATM 0 HE1 MSE B 114 0.949 -6.924 3.138 1.00 15.35 H new HETATM 0 HE2 MSE B 114 0.261 -7.508 1.836 1.00 15.35 H new HETATM 0 HE3 MSE B 114 1.370 -8.349 2.591 1.00 15.35 H new ATOM 1825 N LYS B 115 -0.594 -8.183 -3.629 1.00 14.07 N ATOM 1826 CA LYS B 115 -1.892 -8.302 -4.299 1.00 15.56 C ATOM 1827 C LYS B 115 -1.914 -9.556 -5.165 1.00 17.05 C ATOM 1828 O LYS B 115 -2.858 -10.341 -5.093 1.00 19.40 O ATOM 1829 CB LYS B 115 -2.169 -7.059 -5.146 1.00 15.98 C ATOM 1830 CG LYS B 115 -3.541 -7.054 -5.818 1.00 17.49 C ATOM 1831 CD LYS B 115 -4.118 -5.724 -6.122 0.00 27.98 C ATOM 1832 CE LYS B 115 -5.502 -5.794 -6.784 0.00 30.19 C ATOM 1833 NZ LYS B 115 -5.476 -5.355 -8.212 0.00 32.40 N ATOM 0 H LYS B 115 -0.153 -7.474 -3.837 1.00 14.07 H new ATOM 0 HA LYS B 115 -2.589 -8.374 -3.628 1.00 15.56 H new ATOM 0 HB2 LYS B 115 -2.092 -6.273 -4.583 1.00 15.98 H new ATOM 0 HB3 LYS B 115 -1.485 -6.986 -5.830 1.00 15.98 H new ATOM 0 HG2 LYS B 115 -3.476 -7.554 -6.646 1.00 17.49 H new ATOM 0 HG3 LYS B 115 -4.162 -7.532 -5.246 1.00 17.49 H new ATOM 0 HD2 LYS B 115 -4.186 -5.213 -5.300 0.00 27.98 H new ATOM 0 HD3 LYS B 115 -3.512 -5.242 -6.706 0.00 27.98 H new ATOM 0 HE2 LYS B 115 -5.835 -6.704 -6.734 0.00 30.19 H new ATOM 0 HE3 LYS B 115 -6.123 -5.237 -6.289 0.00 30.19 H new ATOM 0 HZ1 LYS B 115 -6.295 -5.411 -8.555 0.00 32.40 H new ATOM 0 HZ2 LYS B 115 -5.192 -4.513 -8.259 0.00 32.40 H new ATOM 0 HZ3 LYS B 115 -4.925 -5.879 -8.674 0.00 32.40 H new ATOM 1834 N SER B 116 -0.879 -9.738 -5.979 1.00 17.17 N ATOM 1835 CA SER B 116 -0.791 -10.864 -6.909 1.00 17.77 C ATOM 1836 C SER B 116 -0.819 -12.215 -6.210 1.00 18.29 C ATOM 1837 O SER B 116 -1.400 -13.164 -6.725 1.00 19.72 O ATOM 1838 CB ASER B 116 0.484 -10.761 -7.749 0.70 17.97 C ATOM 1839 CB BSER B 116 0.477 -10.752 -7.762 0.30 17.55 C ATOM 1840 OG ASER B 116 0.401 -9.685 -8.664 0.70 18.60 O ATOM 1841 OG BSER B 116 0.463 -11.685 -8.830 0.30 16.78 O ATOM 0 H SER B 116 -0.202 -9.208 -6.009 1.00 17.17 H new ATOM 0 HA SER B 116 -1.576 -10.811 -7.477 1.00 17.77 H new ATOM 0 HB2ASER B 116 1.250 -10.637 -7.167 0.70 17.55 H new ATOM 0 HB2BSER B 116 0.552 -9.852 -8.117 0.30 17.55 H new ATOM 0 HB3ASER B 116 0.626 -11.590 -8.232 0.70 17.55 H new ATOM 0 HB3BSER B 116 1.258 -10.904 -7.207 0.30 17.55 H new ATOM 0 HG ASER B 116 0.608 -8.970 -8.275 0.70 16.78 H new ATOM 0 HG BSER B 116 1.166 -11.604 -9.283 0.30 16.78 H new ATOM 1842 N TYR B 117 -0.188 -12.302 -5.050 1.00 18.65 N ATOM 1843 CA TYR B 117 -0.016 -13.571 -4.349 1.00 19.77 C ATOM 1844 C TYR B 117 -0.967 -13.747 -3.167 1.00 20.20 C ATOM 1845 O TYR B 117 -0.865 -14.733 -2.438 1.00 22.57 O ATOM 1846 CB TYR B 117 1.462 -13.739 -3.947 1.00 19.62 C ATOM 1847 CG TYR B 117 2.305 -14.101 -5.142 1.00 20.69 C ATOM 1848 CD1 TYR B 117 2.813 -13.117 -5.984 1.00 21.56 C ATOM 1849 CD2 TYR B 117 2.529 -15.430 -5.481 1.00 21.71 C ATOM 1850 CE1 TYR B 117 3.553 -13.442 -7.111 1.00 22.59 C ATOM 1851 CE2 TYR B 117 3.280 -15.761 -6.594 1.00 22.08 C ATOM 1852 CZ TYR B 117 3.783 -14.769 -7.405 1.00 22.37 C ATOM 1853 OH TYR B 117 4.514 -15.081 -8.527 1.00 24.19 O ATOM 0 H TYR B 117 0.155 -11.627 -4.643 1.00 18.65 H new ATOM 0 HA TYR B 117 -0.258 -14.283 -4.962 1.00 19.77 H new ATOM 0 HB2 TYR B 117 1.790 -12.916 -3.553 1.00 19.62 H new ATOM 0 HB3 TYR B 117 1.541 -14.429 -3.270 1.00 19.62 H new ATOM 0 HD1 TYR B 117 2.653 -12.222 -5.787 1.00 21.56 H new ATOM 0 HD2 TYR B 117 2.169 -16.105 -4.953 1.00 21.71 H new ATOM 0 HE1 TYR B 117 3.890 -12.773 -7.662 1.00 22.59 H new ATOM 0 HE2 TYR B 117 3.445 -16.654 -6.795 1.00 22.08 H new ATOM 0 HH TYR B 117 4.584 -15.915 -8.593 1.00 24.19 H new ATOM 1854 N GLY B 118 -1.909 -12.821 -3.005 1.00 20.20 N ATOM 1855 CA GLY B 118 -2.888 -12.872 -1.929 1.00 20.58 C ATOM 1856 C GLY B 118 -2.272 -12.990 -0.549 1.00 20.52 C ATOM 1857 O GLY B 118 -2.707 -13.809 0.276 1.00 21.44 O ATOM 0 H GLY B 118 -1.997 -12.140 -3.523 1.00 20.20 H new ATOM 0 HA2 GLY B 118 -3.436 -12.072 -1.963 1.00 20.58 H new ATOM 0 HA3 GLY B 118 -3.479 -13.627 -2.076 1.00 20.58 H new ATOM 1858 N VAL B 119 -1.247 -12.177 -0.289 1.00 19.99 N ATOM 1859 CA VAL B 119 -0.521 -12.258 0.968 1.00 19.31 C ATOM 1860 C VAL B 119 -1.402 -11.805 2.131 1.00 19.77 C ATOM 1861 O VAL B 119 -1.870 -10.671 2.153 1.00 20.88 O ATOM 1862 CB VAL B 119 0.782 -11.433 0.912 1.00 17.84 C ATOM 1863 CG1 VAL B 119 1.458 -11.407 2.269 1.00 16.94 C ATOM 1864 CG2 VAL B 119 1.726 -12.031 -0.108 1.00 18.57 C ATOM 0 H VAL B 119 -0.960 -11.573 -0.830 1.00 19.99 H new ATOM 0 HA VAL B 119 -0.279 -13.186 1.114 1.00 19.31 H new ATOM 0 HB VAL B 119 0.558 -10.525 0.656 1.00 17.84 H new ATOM 0 HG11 VAL B 119 2.274 -10.885 2.214 1.00 16.94 H new ATOM 0 HG12 VAL B 119 0.861 -11.007 2.920 1.00 16.94 H new ATOM 0 HG13 VAL B 119 1.672 -12.313 2.541 1.00 16.94 H new ATOM 0 HG21 VAL B 119 2.543 -11.509 -0.139 1.00 18.57 H new ATOM 0 HG22 VAL B 119 1.936 -12.944 0.142 1.00 18.57 H new ATOM 0 HG23 VAL B 119 1.305 -12.024 -0.982 1.00 18.57 H new ATOM 1865 N AASN B 120 -1.660 -12.662 3.115 0.50 20.74 N ATOM 1866 N BASN B 120 -1.518 -12.733 3.087 0.50 19.29 N ATOM 1867 CA AASN B 120 -2.455 -12.242 4.278 0.50 20.82 C ATOM 1868 CA BASN B 120 -2.418 -12.668 4.230 0.50 18.26 C ATOM 1869 C AASN B 120 -1.692 -12.442 5.580 0.50 19.74 C ATOM 1870 C BASN B 120 -1.677 -12.567 5.564 0.50 18.58 C ATOM 1871 O ASN B 120 -2.277 -12.752 6.622 0.50 18.79 O ATOM 1872 CB AASN B 120 -3.793 -12.996 4.335 0.50 21.95 C ATOM 1873 CB BASN B 120 -3.393 -13.880 4.238 0.50 17.16 C ATOM 1874 CG AASN B 120 -4.941 -12.268 3.623 0.50 22.60 C ATOM 1875 CG BASN B 120 -2.691 -15.250 4.288 0.50 16.35 C ATOM 1876 OD1AASN B 120 -4.784 -11.177 3.063 0.50 23.14 O ATOM 1877 OD1BASN B 120 -1.508 -15.350 4.078 0.50 15.36 O ATOM 1878 ND2AASN B 120 -6.114 -12.888 3.647 0.50 23.85 N ATOM 1879 ND2BASN B 120 -3.461 -16.317 4.539 0.50 13.75 N ATOM 0 H AASN B 120 -1.391 -13.479 3.134 0.50 19.29 H new ATOM 0 H BASN B 120 -1.047 -13.452 3.080 0.50 19.29 H new ATOM 0 HA AASN B 120 -2.634 -11.295 4.172 0.50 18.26 H new ATOM 0 HA BASN B 120 -2.931 -11.851 4.130 0.50 18.26 H new ATOM 0 HB2AASN B 120 -3.679 -13.872 3.935 0.50 17.16 H new ATOM 0 HB2BASN B 120 -3.984 -13.802 5.003 0.50 17.16 H new ATOM 0 HB3AASN B 120 -4.036 -13.137 5.263 0.50 17.16 H new ATOM 0 HB3BASN B 120 -3.949 -13.841 3.444 0.50 17.16 H new ATOM 0 HD21AASN B 120 -6.797 -12.531 3.265 0.50 13.75 H new ATOM 0 HD21BASN B 120 -3.114 -17.104 4.554 0.50 13.75 H new ATOM 0 HD22AASN B 120 -6.191 -13.646 4.045 0.50 13.75 H new ATOM 0 HD22BASN B 120 -4.302 -16.215 4.685 0.50 13.75 H new ATOM 1880 N PHE B 121 -0.376 -12.271 5.506 1.00 16.59 N ATOM 1881 CA PHE B 121 0.473 -12.255 6.685 1.00 15.56 C ATOM 1882 C PHE B 121 1.396 -11.032 6.652 1.00 12.60 C ATOM 1883 O PHE B 121 1.507 -10.377 5.603 1.00 13.83 O ATOM 1884 CB PHE B 121 1.315 -13.537 6.753 1.00 14.62 C ATOM 1885 CG PHE B 121 1.951 -13.939 5.428 1.00 15.74 C ATOM 1886 CD1 PHE B 121 3.121 -13.316 4.986 1.00 14.99 C ATOM 1887 CD2 PHE B 121 1.434 -14.973 4.658 1.00 15.23 C ATOM 1888 CE1 PHE B 121 3.708 -13.683 3.787 1.00 15.18 C ATOM 1889 CE2 PHE B 121 2.013 -15.335 3.465 1.00 15.89 C ATOM 1890 CZ PHE B 121 3.161 -14.712 3.027 1.00 16.24 C ATOM 0 H APHE B 121 0.049 -12.161 4.766 0.50 16.59 H new ATOM 0 H BPHE B 121 0.034 -12.074 4.776 0.50 16.59 H new ATOM 0 HA PHE B 121 -0.092 -12.207 7.472 1.00 15.56 H new ATOM 0 HB2 PHE B 121 2.016 -13.417 7.413 1.00 14.62 H new ATOM 0 HB3 PHE B 121 0.754 -14.264 7.064 1.00 14.62 H new ATOM 0 HD1 PHE B 121 3.510 -12.648 5.503 1.00 14.99 H new ATOM 0 HD2 PHE B 121 0.681 -15.430 4.956 1.00 15.23 H new ATOM 0 HE1 PHE B 121 4.470 -13.241 3.489 1.00 15.18 H new ATOM 0 HE2 PHE B 121 1.627 -16.006 2.949 1.00 15.89 H new ATOM 0 HZ PHE B 121 3.566 -14.976 2.232 1.00 16.24 H new ATOM 1891 N PRO B 122 1.995 -10.698 7.783 1.00 12.18 N ATOM 1892 CA PRO B 122 2.863 -9.522 7.874 1.00 12.48 C ATOM 1893 C PRO B 122 4.059 -9.517 6.915 1.00 11.33 C ATOM 1894 O PRO B 122 4.772 -10.519 6.786 1.00 11.42 O ATOM 1895 CB PRO B 122 3.327 -9.555 9.325 1.00 12.82 C ATOM 1896 CG PRO B 122 2.216 -10.242 10.043 1.00 13.83 C ATOM 1897 CD PRO B 122 1.813 -11.309 9.112 1.00 13.06 C ATOM 0 HA PRO B 122 2.383 -8.720 7.616 1.00 12.48 H new ATOM 0 HB2 PRO B 122 4.163 -10.037 9.420 1.00 12.82 H new ATOM 0 HB3 PRO B 122 3.475 -8.661 9.671 1.00 12.82 H new ATOM 0 HG2 PRO B 122 2.510 -10.603 10.894 1.00 13.83 H new ATOM 0 HG3 PRO B 122 1.483 -9.635 10.230 1.00 13.83 H new ATOM 0 HD2 PRO B 122 2.362 -12.101 9.218 1.00 13.06 H new ATOM 0 HD3 PRO B 122 0.893 -11.580 9.257 1.00 13.06 H new ATOM 1898 N VAL B 123 4.274 -8.365 6.288 1.00 10.31 N ATOM 1899 CA VAL B 123 5.388 -8.083 5.398 1.00 9.50 C ATOM 1900 C VAL B 123 6.081 -6.835 5.915 1.00 9.29 C ATOM 1901 O VAL B 123 5.418 -5.827 6.188 1.00 9.93 O ATOM 1902 CB VAL B 123 4.913 -7.884 3.950 1.00 9.26 C ATOM 1903 CG1 VAL B 123 6.038 -7.453 3.054 1.00 9.69 C ATOM 1904 CG2 VAL B 123 4.252 -9.181 3.432 1.00 10.92 C ATOM 0 H VAL B 123 3.745 -7.693 6.377 1.00 10.31 H new ATOM 0 HA VAL B 123 6.002 -8.834 5.387 1.00 9.50 H new ATOM 0 HB VAL B 123 4.254 -7.172 3.939 1.00 9.26 H new ATOM 0 HG11 VAL B 123 5.706 -7.337 2.150 1.00 9.69 H new ATOM 0 HG12 VAL B 123 6.404 -6.614 3.374 1.00 9.69 H new ATOM 0 HG13 VAL B 123 6.733 -8.130 3.058 1.00 9.69 H new ATOM 0 HG21 VAL B 123 3.954 -9.050 2.518 1.00 10.92 H new ATOM 0 HG22 VAL B 123 4.895 -9.906 3.461 1.00 10.92 H new ATOM 0 HG23 VAL B 123 3.491 -9.402 3.991 1.00 10.92 H new ATOM 1905 N VAL B 124 7.396 -6.898 6.074 1.00 8.86 N ATOM 1906 CA VAL B 124 8.192 -5.756 6.487 1.00 10.18 C ATOM 1907 C VAL B 124 9.223 -5.441 5.424 1.00 10.66 C ATOM 1908 O VAL B 124 9.590 -6.277 4.603 1.00 10.42 O ATOM 1909 CB VAL B 124 8.843 -5.963 7.881 1.00 10.48 C ATOM 1910 CG1 VAL B 124 7.786 -6.140 8.941 1.00 11.55 C ATOM 1911 CG2 VAL B 124 9.792 -7.133 7.858 1.00 10.72 C ATOM 0 H VAL B 124 7.855 -7.614 5.943 1.00 8.86 H new ATOM 0 HA VAL B 124 7.600 -4.993 6.582 1.00 10.18 H new ATOM 0 HB VAL B 124 9.355 -5.169 8.100 1.00 10.48 H new ATOM 0 HG11 VAL B 124 8.211 -6.268 9.804 1.00 11.55 H new ATOM 0 HG12 VAL B 124 7.223 -5.351 8.972 1.00 11.55 H new ATOM 0 HG13 VAL B 124 7.243 -6.916 8.730 1.00 11.55 H new ATOM 0 HG21 VAL B 124 10.188 -7.246 8.736 1.00 10.72 H new ATOM 0 HG22 VAL B 124 9.308 -7.938 7.616 1.00 10.72 H new ATOM 0 HG23 VAL B 124 10.492 -6.969 7.207 1.00 10.72 H new ATOM 1912 N LEU B 125 9.706 -4.202 5.450 1.00 11.23 N ATOM 1913 CA LEU B 125 10.568 -3.645 4.409 1.00 11.44 C ATOM 1914 C LEU B 125 11.984 -3.433 4.890 1.00 11.61 C ATOM 1915 O LEU B 125 12.267 -2.497 5.639 1.00 12.16 O ATOM 1916 CB LEU B 125 9.974 -2.311 3.934 1.00 12.45 C ATOM 1917 CG LEU B 125 8.503 -2.388 3.543 1.00 16.08 C ATOM 1918 CD1 LEU B 125 7.842 -1.053 3.615 1.00 19.21 C ATOM 1919 CD2 LEU B 125 8.405 -2.991 2.180 1.00 18.21 C ATOM 0 H LEU B 125 9.538 -3.649 6.087 1.00 11.23 H new ATOM 0 HA LEU B 125 10.608 -4.281 3.678 1.00 11.44 H new ATOM 0 HB2 LEU B 125 10.077 -1.653 4.639 1.00 12.45 H new ATOM 0 HB3 LEU B 125 10.485 -1.994 3.173 1.00 12.45 H new ATOM 0 HG LEU B 125 8.029 -2.951 4.175 1.00 16.08 H new ATOM 0 HD11 LEU B 125 6.910 -1.139 3.360 1.00 19.21 H new ATOM 0 HD12 LEU B 125 7.899 -0.712 4.521 1.00 19.21 H new ATOM 0 HD13 LEU B 125 8.286 -0.439 3.010 1.00 19.21 H new ATOM 0 HD21 LEU B 125 7.473 -3.047 1.917 1.00 18.21 H new ATOM 0 HD22 LEU B 125 8.887 -2.438 1.546 1.00 18.21 H new ATOM 0 HD23 LEU B 125 8.791 -3.881 2.191 1.00 18.21 H new ATOM 1920 N ASP B 126 12.895 -4.311 4.494 1.00 10.93 N ATOM 1921 CA ASP B 126 14.327 -4.172 4.822 1.00 11.72 C ATOM 1922 C ASP B 126 14.982 -3.277 3.783 1.00 12.89 C ATOM 1923 O ASP B 126 15.766 -3.711 2.946 1.00 13.57 O ATOM 1924 CB ASP B 126 14.984 -5.554 4.902 1.00 11.89 C ATOM 1925 CG ASP B 126 16.365 -5.538 5.467 1.00 13.48 C ATOM 1926 OD1 ASP B 126 16.683 -4.662 6.304 1.00 13.49 O ATOM 1927 OD2 ASP B 126 17.163 -6.450 5.180 1.00 14.58 O ATOM 0 H ASP B 126 12.710 -5.009 4.026 1.00 10.93 H new ATOM 0 HA ASP B 126 14.440 -3.757 5.692 1.00 11.72 H new ATOM 0 HB2 ASP B 126 14.429 -6.135 5.446 1.00 11.89 H new ATOM 0 HB3 ASP B 126 15.013 -5.940 4.013 1.00 11.89 H new ATOM 1928 N THR B 127 14.621 -2.006 3.831 1.00 14.17 N ATOM 1929 CA THR B 127 14.906 -1.095 2.721 1.00 16.87 C ATOM 1930 C THR B 127 16.400 -0.927 2.461 1.00 17.41 C ATOM 1931 O THR B 127 16.834 -0.806 1.309 1.00 19.13 O ATOM 1932 CB ATHR B 127 14.223 0.239 2.915 0.60 18.32 C ATOM 1933 CB BTHR B 127 14.279 0.304 3.041 0.40 18.02 C ATOM 1934 OG1ATHR B 127 12.820 0.016 2.996 0.60 19.67 O ATOM 1935 OG1BTHR B 127 14.928 0.902 4.178 0.40 19.31 O ATOM 1936 CG2ATHR B 127 14.371 1.097 1.672 0.60 19.09 C ATOM 1937 CG2BTHR B 127 12.838 0.184 3.508 0.40 18.55 C ATOM 0 H THR B 127 14.210 -1.645 4.494 1.00 14.17 H new ATOM 0 HA THR B 127 14.536 -1.507 1.925 1.00 16.87 H new ATOM 0 HB ATHR B 127 14.608 0.657 3.701 0.60 18.02 H new ATOM 0 HB BTHR B 127 14.368 0.815 2.221 0.40 18.02 H new ATOM 0 HG1ATHR B 127 12.465 0.193 2.256 0.60 19.31 H new ATOM 0 HG1BTHR B 127 14.582 1.651 4.336 0.40 19.31 H new ATOM 0 HG21ATHR B 127 13.928 1.949 1.812 0.60 18.55 H new ATOM 0 HG21BTHR B 127 12.484 1.067 3.696 0.40 18.55 H new ATOM 0 HG22ATHR B 127 15.312 1.248 1.493 0.60 18.55 H new ATOM 0 HG22BTHR B 127 12.306 -0.236 2.814 0.40 18.55 H new ATOM 0 HG23ATHR B 127 13.967 0.643 0.916 0.60 18.55 H new ATOM 0 HG23BTHR B 127 12.802 -0.356 4.313 0.40 18.55 H new ATOM 1938 N ASP B 128 17.196 -0.961 3.519 1.00 16.11 N ATOM 1939 CA ASP B 128 18.629 -0.738 3.415 1.00 18.09 C ATOM 1940 C ASP B 128 19.438 -2.002 3.661 1.00 18.37 C ATOM 1941 O ASP B 128 20.649 -1.953 3.859 1.00 17.90 O ATOM 1942 CB ASP B 128 19.024 0.349 4.415 1.00 19.19 C ATOM 1943 CG ASP B 128 18.380 1.683 4.109 1.00 22.59 C ATOM 1944 OD1 ASP B 128 18.350 2.064 2.915 1.00 25.54 O ATOM 1945 OD2 ASP B 128 17.866 2.406 4.991 1.00 27.03 O ATOM 0 H ASP B 128 16.920 -1.114 4.319 1.00 16.11 H new ATOM 0 HA ASP B 128 18.829 -0.458 2.508 1.00 18.09 H new ATOM 0 HB2 ASP B 128 18.771 0.069 5.309 1.00 19.19 H new ATOM 0 HB3 ASP B 128 19.989 0.451 4.412 1.00 19.19 H new ATOM 1946 N ARG B 129 18.771 -3.164 3.632 1.00 16.28 N ATOM 1947 CA ARG B 129 19.411 -4.469 3.824 1.00 17.01 C ATOM 1948 C ARG B 129 20.119 -4.640 5.167 1.00 15.31 C ATOM 1949 O ARG B 129 20.961 -5.527 5.319 1.00 15.29 O ATOM 1950 CB ARG B 129 20.380 -4.793 2.671 1.00 19.69 C ATOM 1951 CG ARG B 129 19.710 -4.861 1.329 1.00 24.49 C ATOM 1952 CD ARG B 129 20.686 -4.883 0.148 1.00 27.70 C ATOM 1953 NE ARG B 129 21.409 -6.157 0.041 1.00 31.09 N ATOM 1954 CZ ARG B 129 21.136 -7.147 -0.823 1.00 32.87 C ATOM 1955 NH1 ARG B 129 20.135 -7.063 -1.689 1.00 34.92 N ATOM 1956 NH2 ARG B 129 21.876 -8.248 -0.815 1.00 34.84 N ATOM 0 H ARG B 129 17.923 -3.214 3.498 1.00 16.28 H new ATOM 0 HA ARG B 129 18.678 -5.104 3.824 1.00 17.01 H new ATOM 0 HB2 ARG B 129 21.076 -4.118 2.643 1.00 19.69 H new ATOM 0 HB3 ARG B 129 20.814 -5.641 2.851 1.00 19.69 H new ATOM 0 HG2 ARG B 129 19.156 -5.656 1.294 1.00 24.49 H new ATOM 0 HG3 ARG B 129 19.118 -4.098 1.234 1.00 24.49 H new ATOM 0 HD2 ARG B 129 20.198 -4.721 -0.674 1.00 27.70 H new ATOM 0 HD3 ARG B 129 21.324 -4.159 0.246 1.00 27.70 H new ATOM 0 HE ARG B 129 22.067 -6.280 0.581 1.00 31.09 H new ATOM 0 HH11 ARG B 129 19.640 -6.360 -1.707 1.00 34.92 H new ATOM 0 HH12 ARG B 129 19.981 -7.712 -2.232 1.00 34.92 H new ATOM 0 HH21 ARG B 129 22.527 -8.325 -0.258 1.00 34.84 H new ATOM 0 HH22 ARG B 129 21.705 -8.885 -1.367 1.00 34.84 H new ATOM 1957 N GLN B 130 19.771 -3.842 6.163 1.00 14.73 N ATOM 1958 CA GLN B 130 20.410 -3.956 7.472 1.00 16.48 C ATOM 1959 C GLN B 130 20.089 -5.279 8.154 1.00 14.25 C ATOM 1960 O GLN B 130 20.944 -5.870 8.804 1.00 15.62 O ATOM 1961 CB GLN B 130 19.972 -2.814 8.396 1.00 19.40 C ATOM 1962 CG AGLN B 130 20.606 -1.461 7.996 0.00 22.41 C ATOM 1963 CG BGLN B 130 20.400 -1.433 7.924 1.00 24.72 C ATOM 1964 CD AGLN B 130 21.366 -0.782 9.130 0.00 26.18 C ATOM 1965 CD BGLN B 130 21.873 -1.378 7.612 1.00 26.47 C ATOM 1966 OE1AGLN B 130 20.865 0.172 9.728 0.00 30.32 O ATOM 1967 OE1BGLN B 130 22.697 -1.349 8.527 1.00 31.48 O ATOM 1968 NE2AGLN B 130 22.558 -1.282 9.435 0.00 28.57 N ATOM 1969 NE2BGLN B 130 22.219 -1.381 6.325 1.00 30.31 N ATOM 0 H GLN B 130 19.170 -3.229 6.107 1.00 14.73 H new ATOM 0 HA GLN B 130 21.366 -3.909 7.314 1.00 16.48 H new ATOM 0 HB2AGLN B 130 19.005 -2.735 8.374 0.00 19.40 H new ATOM 0 HB2BGLN B 130 19.006 -2.831 8.480 1.00 19.40 H new ATOM 0 HB3AGLN B 130 20.218 -3.027 9.310 0.00 19.40 H new ATOM 0 HB3BGLN B 130 20.336 -2.970 9.281 1.00 19.40 H new ATOM 0 HG2AGLN B 130 21.211 -1.604 7.252 0.00 24.72 H new ATOM 0 HG2BGLN B 130 19.893 -1.190 7.134 1.00 24.72 H new ATOM 0 HG3AGLN B 130 19.907 -0.865 7.683 0.00 24.72 H new ATOM 0 HG3BGLN B 130 20.190 -0.778 8.608 1.00 24.72 H new ATOM 0 HE21AGLN B 130 22.871 -1.949 8.992 0.00 30.31 H new ATOM 0 HE21BGLN B 130 21.612 -1.402 5.716 1.00 30.31 H new ATOM 0 HE22AGLN B 130 23.017 -0.939 10.076 0.00 30.31 H new ATOM 0 HE22BGLN B 130 23.050 -1.362 6.103 1.00 30.31 H new ATOM 1970 N VAL B 131 18.849 -5.735 8.035 1.00 13.01 N ATOM 1971 CA VAL B 131 18.427 -6.963 8.701 1.00 12.36 C ATOM 1972 C VAL B 131 18.954 -8.176 7.939 1.00 11.51 C ATOM 1973 O VAL B 131 19.405 -9.113 8.550 1.00 11.65 O ATOM 1974 CB VAL B 131 16.898 -6.987 8.903 1.00 12.18 C ATOM 1975 CG1 VAL B 131 16.441 -8.244 9.577 1.00 12.80 C ATOM 1976 CG2 VAL B 131 16.474 -5.789 9.748 1.00 13.01 C ATOM 0 H VAL B 131 18.235 -5.349 7.573 1.00 13.01 H new ATOM 0 HA VAL B 131 18.812 -6.997 9.591 1.00 12.36 H new ATOM 0 HB VAL B 131 16.487 -6.948 8.025 1.00 12.18 H new ATOM 0 HG11 VAL B 131 15.477 -8.221 9.686 1.00 12.80 H new ATOM 0 HG12 VAL B 131 16.687 -9.010 9.035 1.00 12.80 H new ATOM 0 HG13 VAL B 131 16.862 -8.316 10.448 1.00 12.80 H new ATOM 0 HG21 VAL B 131 15.512 -5.806 9.874 1.00 13.01 H new ATOM 0 HG22 VAL B 131 16.914 -5.830 10.612 1.00 13.01 H new ATOM 0 HG23 VAL B 131 16.726 -4.969 9.296 1.00 13.01 H new ATOM 1977 N LEU B 132 18.936 -8.127 6.607 1.00 11.93 N ATOM 1978 CA LEU B 132 19.615 -9.129 5.773 1.00 12.50 C ATOM 1979 C LEU B 132 21.049 -9.322 6.264 1.00 13.30 C ATOM 1980 O LEU B 132 21.514 -10.441 6.402 1.00 13.30 O ATOM 1981 CB LEU B 132 19.631 -8.664 4.316 1.00 13.92 C ATOM 1982 CG LEU B 132 20.263 -9.610 3.296 1.00 15.12 C ATOM 1983 CD1 LEU B 132 19.196 -10.514 2.706 1.00 15.85 C ATOM 1984 CD2 LEU B 132 20.968 -8.847 2.193 1.00 18.35 C ATOM 0 H LEU B 132 18.531 -7.514 6.159 1.00 11.93 H new ATOM 0 HA LEU B 132 19.138 -9.971 5.836 1.00 12.50 H new ATOM 0 HB2 LEU B 132 18.716 -8.494 4.043 1.00 13.92 H new ATOM 0 HB3 LEU B 132 20.102 -7.817 4.274 1.00 13.92 H new ATOM 0 HG LEU B 132 20.928 -10.148 3.754 1.00 15.12 H new ATOM 0 HD11 LEU B 132 19.601 -11.113 2.059 1.00 15.85 H new ATOM 0 HD12 LEU B 132 18.784 -11.034 3.414 1.00 15.85 H new ATOM 0 HD13 LEU B 132 18.520 -9.974 2.267 1.00 15.85 H new ATOM 0 HD21 LEU B 132 21.358 -9.474 1.564 1.00 18.35 H new ATOM 0 HD22 LEU B 132 20.330 -8.281 1.732 1.00 18.35 H new ATOM 0 HD23 LEU B 132 21.669 -8.297 2.577 1.00 18.35 H new ATOM 1985 N ASP B 133 21.739 -8.221 6.515 1.00 13.63 N ATOM 1986 CA ASP B 133 23.136 -8.274 6.945 1.00 16.06 C ATOM 1987 C ASP B 133 23.267 -8.848 8.358 1.00 15.54 C ATOM 1988 O ASP B 133 24.152 -9.656 8.614 1.00 15.99 O ATOM 1989 CB AASP B 133 23.783 -6.910 6.858 0.00 17.50 C ATOM 1990 CB BASP B 133 23.765 -6.876 6.902 1.00 18.29 C ATOM 1991 CG AASP B 133 25.253 -6.948 7.226 0.00 20.87 C ATOM 1992 CG BASP B 133 24.049 -6.389 5.483 1.00 20.43 C ATOM 1993 OD1AASP B 133 26.092 -7.153 6.319 0.00 27.06 O ATOM 1994 OD1BASP B 133 23.970 -7.194 4.535 1.00 25.15 O ATOM 1995 OD2AASP B 133 25.659 -6.790 8.398 0.00 27.20 O ATOM 1996 OD2BASP B 133 24.344 -5.191 5.236 1.00 25.79 O ATOM 0 H ASP B 133 21.419 -7.426 6.443 1.00 13.63 H new ATOM 0 HA ASP B 133 23.604 -8.870 6.340 1.00 16.06 H new ATOM 0 HB2AASP B 133 23.686 -6.565 5.957 0.00 18.29 H new ATOM 0 HB2BASP B 133 23.172 -6.247 7.341 1.00 18.29 H new ATOM 0 HB3AASP B 133 23.319 -6.296 7.448 0.00 18.29 H new ATOM 0 HB3BASP B 133 24.593 -6.884 7.407 1.00 18.29 H new ATOM 1997 N ALA B 134 22.383 -8.465 9.260 1.00 14.35 N ATOM 1998 CA ALA B 134 22.405 -8.946 10.635 1.00 14.62 C ATOM 1999 C ALA B 134 22.192 -10.458 10.712 1.00 14.24 C ATOM 2000 O ALA B 134 22.747 -11.119 11.602 1.00 15.49 O ATOM 2001 CB ALA B 134 21.364 -8.211 11.483 1.00 16.11 C ATOM 0 H ALA B 134 21.745 -7.913 9.094 1.00 14.35 H new ATOM 0 HA ALA B 134 23.286 -8.757 10.993 1.00 14.62 H new ATOM 0 HB1 ALA B 134 21.394 -8.545 12.393 1.00 16.11 H new ATOM 0 HB2 ALA B 134 21.557 -7.260 11.481 1.00 16.11 H new ATOM 0 HB3 ALA B 134 20.480 -8.362 11.113 1.00 16.11 H new ATOM 2002 N TYR B 135 21.393 -10.995 9.784 1.00 12.06 N ATOM 2003 CA TYR B 135 21.109 -12.429 9.704 1.00 11.75 C ATOM 2004 C TYR B 135 22.052 -13.175 8.744 1.00 13.44 C ATOM 2005 O TYR B 135 21.909 -14.381 8.558 1.00 13.08 O ATOM 2006 CB TYR B 135 19.630 -12.655 9.302 1.00 11.83 C ATOM 2007 CG TYR B 135 18.694 -12.517 10.483 1.00 10.98 C ATOM 2008 CD1 TYR B 135 18.392 -11.271 11.015 1.00 11.77 C ATOM 2009 CD2 TYR B 135 18.159 -13.623 11.091 1.00 10.79 C ATOM 2010 CE1 TYR B 135 17.572 -11.141 12.117 1.00 11.96 C ATOM 2011 CE2 TYR B 135 17.324 -13.497 12.205 1.00 12.00 C ATOM 2012 CZ TYR B 135 17.033 -12.249 12.713 1.00 11.46 C ATOM 2013 OH TYR B 135 16.211 -12.123 13.827 1.00 13.89 O ATOM 0 H TYR B 135 20.998 -10.530 9.178 1.00 12.06 H new ATOM 0 HA TYR B 135 21.266 -12.800 10.586 1.00 11.75 H new ATOM 0 HB2 TYR B 135 19.381 -12.016 8.616 1.00 11.83 H new ATOM 0 HB3 TYR B 135 19.532 -13.539 8.915 1.00 11.83 H new ATOM 0 HD1 TYR B 135 18.750 -10.508 10.621 1.00 11.77 H new ATOM 0 HD2 TYR B 135 18.354 -14.469 10.758 1.00 10.79 H new ATOM 0 HE1 TYR B 135 17.384 -10.296 12.457 1.00 11.96 H new ATOM 0 HE2 TYR B 135 16.964 -14.256 12.604 1.00 12.00 H new ATOM 0 HH TYR B 135 16.479 -11.484 14.302 1.00 13.89 H new ATOM 2014 N ASP B 136 22.997 -12.451 8.152 1.00 13.65 N ATOM 2015 CA ASP B 136 23.989 -13.014 7.228 1.00 15.15 C ATOM 2016 C ASP B 136 23.325 -13.786 6.075 1.00 14.16 C ATOM 2017 O ASP B 136 23.791 -14.871 5.686 1.00 15.44 O ATOM 2018 CB AASP B 136 25.014 -13.908 7.972 0.00 16.77 C ATOM 2019 CB BASP B 136 25.009 -13.904 7.989 1.00 17.60 C ATOM 2020 CG AASP B 136 25.868 -13.132 8.963 0.00 19.67 C ATOM 2021 CG BASP B 136 26.282 -14.167 7.192 1.00 20.21 C ATOM 2022 OD1AASP B 136 26.421 -12.080 8.571 0.00 24.75 O ATOM 2023 OD1BASP B 136 26.721 -13.284 6.425 1.00 24.49 O ATOM 2024 OD2AASP B 136 26.056 -13.510 10.145 0.00 25.47 O ATOM 2025 OD2BASP B 136 26.901 -15.248 7.278 1.00 25.22 O ATOM 0 H ASP B 136 23.085 -11.604 8.275 1.00 13.65 H new ATOM 0 HA ASP B 136 24.469 -12.266 6.841 1.00 15.15 H new ATOM 0 HB2AASP B 136 24.541 -14.612 8.442 0.00 17.60 H new ATOM 0 HB2BASP B 136 25.241 -13.476 8.828 1.00 17.60 H new ATOM 0 HB3AASP B 136 25.591 -14.339 7.323 0.00 17.60 H new ATOM 0 HB3BASP B 136 24.590 -14.751 8.209 1.00 17.60 H new ATOM 2026 N VAL B 137 22.260 -13.217 5.507 1.00 13.85 N ATOM 2027 CA VAL B 137 21.483 -13.895 4.472 1.00 14.23 C ATOM 2028 C VAL B 137 22.051 -13.723 3.059 1.00 15.54 C ATOM 2029 O VAL B 137 22.367 -12.589 2.665 1.00 16.79 O ATOM 2030 CB VAL B 137 20.023 -13.430 4.497 1.00 13.93 C ATOM 2031 CG1 VAL B 137 19.244 -13.951 3.291 1.00 14.61 C ATOM 2032 CG2 VAL B 137 19.359 -13.892 5.772 1.00 15.08 C ATOM 0 H VAL B 137 21.971 -12.433 5.710 1.00 13.85 H new ATOM 0 HA VAL B 137 21.537 -14.840 4.684 1.00 14.23 H new ATOM 0 HB VAL B 137 20.020 -12.461 4.458 1.00 13.93 H new ATOM 0 HG11 VAL B 137 18.327 -13.639 3.339 1.00 14.61 H new ATOM 0 HG12 VAL B 137 19.654 -13.625 2.475 1.00 14.61 H new ATOM 0 HG13 VAL B 137 19.255 -14.921 3.293 1.00 14.61 H new ATOM 0 HG21 VAL B 137 18.436 -13.595 5.782 1.00 15.08 H new ATOM 0 HG22 VAL B 137 19.387 -14.860 5.819 1.00 15.08 H new ATOM 0 HG23 VAL B 137 19.827 -13.518 6.535 1.00 15.08 H new ATOM 2033 N ASER B 138 22.214 -14.878 2.394 0.60 15.77 N ATOM 2034 N BSER B 138 22.067 -14.789 2.254 0.40 16.96 N ATOM 2035 CA ASER B 138 22.541 -15.083 0.973 0.60 16.92 C ATOM 2036 CA BSER B 138 22.668 -14.709 0.920 0.40 18.37 C ATOM 2037 C ASER B 138 22.602 -16.617 0.764 0.60 17.04 C ATOM 2038 C BSER B 138 21.801 -14.754 -0.361 0.40 17.86 C ATOM 2039 O ASER B 138 23.321 -17.264 1.503 0.60 17.03 O ATOM 2040 O BSER B 138 21.075 -13.832 -0.650 0.40 16.99 O ATOM 2041 CB ASER B 138 23.918 -14.488 0.648 0.60 15.91 C ATOM 2042 CB BSER B 138 23.826 -15.710 0.787 0.40 18.86 C ATOM 2043 OG ASER B 138 24.195 -14.531 -0.744 0.60 18.39 O ATOM 2044 OG BSER B 138 24.716 -15.313 -0.248 0.40 20.96 O ATOM 0 H ASER B 138 22.128 -15.630 2.803 0.60 16.96 H new ATOM 0 H BSER B 138 21.740 -15.558 2.458 0.40 16.96 H new ATOM 0 HA ASER B 138 21.882 -14.656 0.403 0.60 18.37 H new ATOM 0 HA BSER B 138 22.942 -13.779 0.925 0.40 18.37 H new ATOM 0 HB2ASER B 138 23.955 -13.569 0.957 0.60 18.86 H new ATOM 0 HB2BSER B 138 24.306 -15.770 1.628 0.40 18.86 H new ATOM 0 HB3ASER B 138 24.604 -14.977 1.130 0.60 18.86 H new ATOM 0 HB3BSER B 138 23.475 -16.594 0.597 0.40 18.86 H new ATOM 0 HG ASER B 138 24.952 -14.198 -0.890 0.60 20.96 H new ATOM 0 HG BSER B 138 24.537 -14.527 -0.485 0.40 20.96 H new ATOM 2045 N APRO B 139 21.893 -17.235 -0.182 0.60 16.34 N ATOM 2046 N BPRO B 139 21.783 -15.887 -1.054 0.40 18.64 N ATOM 2047 CA APRO B 139 20.901 -16.661 -1.109 0.60 14.87 C ATOM 2048 CA BPRO B 139 20.814 -16.966 -0.956 0.40 17.38 C ATOM 2049 C APRO B 139 19.449 -16.596 -0.586 0.60 13.60 C ATOM 2050 C BPRO B 139 19.388 -16.584 -0.504 0.40 15.25 C ATOM 2051 O APRO B 139 19.189 -16.919 0.561 0.60 13.20 O ATOM 2052 O BPRO B 139 19.086 -16.621 0.686 0.40 14.53 O ATOM 2053 CB APRO B 139 20.943 -17.678 -2.258 0.60 15.59 C ATOM 2054 CB BPRO B 139 21.575 -17.964 -0.087 0.40 18.22 C ATOM 2055 CG APRO B 139 21.131 -18.977 -1.567 0.60 16.21 C ATOM 2056 CG BPRO B 139 23.101 -17.644 -0.571 0.40 19.15 C ATOM 2057 CD APRO B 139 22.066 -18.682 -0.415 0.60 16.21 C ATOM 2058 CD BPRO B 139 23.026 -16.440 -1.594 0.40 18.88 C ATOM 0 HA APRO B 139 21.120 -15.738 -1.309 0.60 17.38 H new ATOM 0 HA BPRO B 139 20.552 -17.330 -1.816 0.40 17.38 H new ATOM 0 HB2APRO B 139 20.123 -17.665 -2.776 0.60 18.22 H new ATOM 0 HB2BPRO B 139 21.445 -17.806 0.861 0.40 18.22 H new ATOM 0 HB3APRO B 139 21.670 -17.492 -2.873 0.60 18.22 H new ATOM 0 HB3BPRO B 139 21.315 -18.882 -0.260 0.40 18.22 H new ATOM 0 HG2APRO B 139 20.285 -19.331 -1.250 0.60 19.15 H new ATOM 0 HG2BPRO B 139 23.659 -17.414 0.188 0.40 19.15 H new ATOM 0 HG3APRO B 139 21.510 -19.640 -2.165 0.60 19.15 H new ATOM 0 HG3BPRO B 139 23.498 -18.424 -0.989 0.40 19.15 H new ATOM 0 HD2APRO B 139 21.835 -19.199 0.372 0.60 18.88 H new ATOM 0 HD2BPRO B 139 23.780 -15.832 -1.536 0.40 18.88 H new ATOM 0 HD3APRO B 139 22.985 -18.899 -0.638 0.60 18.88 H new ATOM 0 HD3BPRO B 139 22.958 -16.720 -2.520 0.40 18.88 H new ATOM 2059 N LEU B 140 18.532 -16.192 -1.461 1.00 13.78 N ATOM 2060 CA LEU B 140 17.091 -16.100 -1.189 1.00 12.68 C ATOM 2061 C LEU B 140 16.320 -17.238 -1.852 1.00 12.26 C ATOM 2062 O LEU B 140 16.697 -17.685 -2.944 1.00 14.46 O ATOM 2063 CB LEU B 140 16.512 -14.799 -1.733 1.00 12.83 C ATOM 2064 CG LEU B 140 17.101 -13.499 -1.205 1.00 14.15 C ATOM 2065 CD1 LEU B 140 16.403 -12.335 -1.847 1.00 16.22 C ATOM 2066 CD2 LEU B 140 16.979 -13.387 0.304 1.00 14.18 C ATOM 0 H ALEU B 140 18.736 -15.954 -2.262 0.60 13.78 H new ATOM 0 H BLEU B 140 18.763 -15.978 -2.261 0.40 13.78 H new ATOM 0 HA LEU B 140 16.996 -16.145 -0.225 1.00 12.68 H new ATOM 0 HB2 LEU B 140 16.614 -14.805 -2.698 1.00 12.83 H new ATOM 0 HB3 LEU B 140 15.560 -14.794 -1.549 1.00 12.83 H new ATOM 0 HG LEU B 140 18.045 -13.494 -1.427 1.00 14.15 H new ATOM 0 HD11 LEU B 140 16.779 -11.506 -1.510 1.00 16.22 H new ATOM 0 HD12 LEU B 140 16.522 -12.376 -2.809 1.00 16.22 H new ATOM 0 HD13 LEU B 140 15.457 -12.369 -1.637 1.00 16.22 H new ATOM 0 HD21 LEU B 140 17.365 -12.547 0.599 1.00 14.18 H new ATOM 0 HD22 LEU B 140 16.043 -13.418 0.556 1.00 14.18 H new ATOM 0 HD23 LEU B 140 17.451 -14.124 0.723 1.00 14.18 H new ATOM 2067 N PRO B 141 15.231 -17.698 -1.253 1.00 11.18 N ATOM 2068 CA PRO B 141 14.807 -17.310 0.095 1.00 10.64 C ATOM 2069 C PRO B 141 15.671 -17.954 1.179 1.00 9.75 C ATOM 2070 O PRO B 141 16.301 -19.012 0.988 1.00 9.98 O ATOM 2071 CB PRO B 141 13.401 -17.895 0.193 1.00 10.73 C ATOM 2072 CG PRO B 141 13.399 -19.052 -0.731 1.00 12.44 C ATOM 2073 CD PRO B 141 14.293 -18.653 -1.842 1.00 11.56 C ATOM 0 HA PRO B 141 14.867 -16.351 0.226 1.00 10.64 H new ATOM 0 HB2 PRO B 141 13.198 -18.171 1.101 1.00 10.73 H new ATOM 0 HB3 PRO B 141 12.731 -17.242 -0.061 1.00 10.73 H new ATOM 0 HG2 PRO B 141 13.721 -19.854 -0.291 1.00 12.44 H new ATOM 0 HG3 PRO B 141 12.504 -19.245 -1.052 1.00 12.44 H new ATOM 0 HD2 PRO B 141 14.759 -19.420 -2.210 1.00 11.56 H new ATOM 0 HD3 PRO B 141 13.792 -18.250 -2.568 1.00 11.56 H new ATOM 2074 N THR B 142 15.688 -17.315 2.336 1.00 9.73 N ATOM 2075 CA THR B 142 16.166 -17.943 3.575 1.00 10.07 C ATOM 2076 C THR B 142 15.163 -17.695 4.662 1.00 9.04 C ATOM 2077 O THR B 142 14.641 -16.582 4.776 1.00 10.37 O ATOM 2078 CB THR B 142 17.549 -17.431 3.983 1.00 11.13 C ATOM 2079 OG1 THR B 142 18.534 -17.858 3.023 1.00 12.97 O ATOM 2080 CG2 THR B 142 18.013 -18.065 5.287 1.00 12.64 C ATOM 0 H THR B 142 15.424 -16.503 2.434 1.00 9.73 H new ATOM 0 HA THR B 142 16.259 -18.896 3.423 1.00 10.07 H new ATOM 0 HB THR B 142 17.471 -16.467 4.054 1.00 11.13 H new ATOM 0 HG1 THR B 142 18.519 -17.345 2.358 1.00 12.97 H new ATOM 0 HG21 THR B 142 18.890 -17.722 5.520 1.00 12.64 H new ATOM 0 HG22 THR B 142 17.384 -17.849 5.994 1.00 12.64 H new ATOM 0 HG23 THR B 142 18.061 -19.028 5.180 1.00 12.64 H new ATOM 2081 N THR B 143 14.858 -18.723 5.445 1.00 9.36 N ATOM 2082 CA THR B 143 13.855 -18.692 6.490 1.00 9.16 C ATOM 2083 C THR B 143 14.489 -19.087 7.809 1.00 9.07 C ATOM 2084 O THR B 143 15.221 -20.084 7.875 1.00 10.19 O ATOM 2085 CB THR B 143 12.717 -19.638 6.149 1.00 10.07 C ATOM 2086 OG1 THR B 143 12.135 -19.253 4.890 1.00 11.13 O ATOM 2087 CG2 THR B 143 11.576 -19.584 7.168 1.00 11.09 C ATOM 0 H THR B 143 15.248 -19.487 5.376 1.00 9.36 H new ATOM 0 HA THR B 143 13.496 -17.794 6.565 1.00 9.16 H new ATOM 0 HB THR B 143 13.102 -20.528 6.134 1.00 10.07 H new ATOM 0 HG1 THR B 143 12.564 -19.610 4.262 1.00 11.13 H new ATOM 0 HG21 THR B 143 10.878 -20.204 6.905 1.00 11.09 H new ATOM 0 HG22 THR B 143 11.912 -19.829 8.044 1.00 11.09 H new ATOM 0 HG23 THR B 143 11.214 -18.685 7.201 1.00 11.09 H new ATOM 2088 N PHE B 144 14.229 -18.316 8.856 1.00 8.48 N ATOM 2089 CA PHE B 144 14.642 -18.611 10.218 1.00 8.73 C ATOM 2090 C PHE B 144 13.420 -19.001 11.006 1.00 8.37 C ATOM 2091 O PHE B 144 12.412 -18.291 11.028 1.00 9.63 O ATOM 2092 CB PHE B 144 15.346 -17.399 10.862 1.00 9.40 C ATOM 2093 CG PHE B 144 16.579 -17.004 10.140 1.00 10.01 C ATOM 2094 CD1 PHE B 144 16.512 -16.303 8.953 1.00 11.39 C ATOM 2095 CD2 PHE B 144 17.830 -17.430 10.590 1.00 10.79 C ATOM 2096 CE1 PHE B 144 17.654 -15.994 8.241 1.00 12.83 C ATOM 2097 CE2 PHE B 144 18.998 -17.104 9.866 1.00 11.42 C ATOM 2098 CZ PHE B 144 18.891 -16.409 8.688 1.00 12.18 C ATOM 0 H PHE B 144 13.791 -17.579 8.789 1.00 8.48 H new ATOM 0 HA PHE B 144 15.281 -19.340 10.214 1.00 8.73 H new ATOM 0 HB2 PHE B 144 14.733 -16.647 10.883 1.00 9.40 H new ATOM 0 HB3 PHE B 144 15.568 -17.610 11.782 1.00 9.40 H new ATOM 0 HD1 PHE B 144 15.683 -16.034 8.627 1.00 11.39 H new ATOM 0 HD2 PHE B 144 17.895 -17.931 11.371 1.00 10.79 H new ATOM 0 HE1 PHE B 144 17.589 -15.502 7.454 1.00 12.83 H new ATOM 0 HE2 PHE B 144 19.833 -17.359 10.185 1.00 11.42 H new ATOM 0 HZ PHE B 144 19.653 -16.218 8.191 1.00 12.18 H new ATOM 2099 N LEU B 145 13.494 -20.148 11.661 1.00 8.75 N ATOM 2100 CA LEU B 145 12.422 -20.641 12.506 1.00 9.05 C ATOM 2101 C LEU B 145 12.784 -20.254 13.933 1.00 9.35 C ATOM 2102 O LEU B 145 13.750 -20.771 14.515 1.00 10.65 O ATOM 2103 CB LEU B 145 12.278 -22.159 12.357 1.00 9.95 C ATOM 2104 CG LEU B 145 12.054 -22.627 10.916 1.00 10.68 C ATOM 2105 CD1 LEU B 145 11.992 -24.137 10.877 1.00 13.49 C ATOM 2106 CD2 LEU B 145 10.822 -22.050 10.292 1.00 10.97 C ATOM 0 H LEU B 145 14.177 -20.669 11.627 1.00 8.75 H new ATOM 0 HA LEU B 145 11.567 -20.257 12.256 1.00 9.05 H new ATOM 0 HB2 LEU B 145 13.077 -22.586 12.705 1.00 9.95 H new ATOM 0 HB3 LEU B 145 11.535 -22.459 12.904 1.00 9.95 H new ATOM 0 HG LEU B 145 12.806 -22.305 10.394 1.00 10.68 H new ATOM 0 HD11 LEU B 145 11.850 -24.432 9.964 1.00 13.49 H new ATOM 0 HD12 LEU B 145 12.826 -24.504 11.209 1.00 13.49 H new ATOM 0 HD13 LEU B 145 11.260 -24.445 11.433 1.00 13.49 H new ATOM 0 HD21 LEU B 145 10.733 -22.381 9.384 1.00 10.97 H new ATOM 0 HD22 LEU B 145 10.044 -22.312 10.809 1.00 10.97 H new ATOM 0 HD23 LEU B 145 10.889 -21.082 10.278 1.00 10.97 H new ATOM 2107 N ILE B 146 12.036 -19.308 14.471 1.00 9.58 N ATOM 2108 CA ILE B 146 12.320 -18.686 15.762 1.00 9.82 C ATOM 2109 C ILE B 146 11.261 -19.134 16.748 1.00 9.92 C ATOM 2110 O ILE B 146 10.069 -19.034 16.479 1.00 10.10 O ATOM 2111 CB ILE B 146 12.366 -17.159 15.615 1.00 11.05 C ATOM 2112 CG1 ILE B 146 13.482 -16.763 14.657 1.00 11.25 C ATOM 2113 CG2 ILE B 146 12.569 -16.462 16.971 1.00 11.49 C ATOM 2114 CD1 ILE B 146 13.448 -15.341 14.200 1.00 12.40 C ATOM 0 H ILE B 146 11.330 -18.998 14.090 1.00 9.58 H new ATOM 0 HA ILE B 146 13.189 -18.961 16.093 1.00 9.82 H new ATOM 0 HB ILE B 146 11.511 -16.870 15.258 1.00 11.05 H new ATOM 0 HG12 ILE B 146 14.335 -16.929 15.089 1.00 11.25 H new ATOM 0 HG13 ILE B 146 13.441 -17.340 13.878 1.00 11.25 H new ATOM 0 HG21 ILE B 146 12.593 -15.501 16.841 1.00 11.49 H new ATOM 0 HG22 ILE B 146 11.836 -16.689 17.565 1.00 11.49 H new ATOM 0 HG23 ILE B 146 13.406 -16.756 17.364 1.00 11.49 H new ATOM 0 HD11 ILE B 146 14.190 -15.177 13.597 1.00 12.40 H new ATOM 0 HD12 ILE B 146 12.612 -15.169 13.738 1.00 12.40 H new ATOM 0 HD13 ILE B 146 13.520 -14.752 14.968 1.00 12.40 H new ATOM 2115 N ASN B 147 11.693 -19.659 17.899 1.00 9.99 N ATOM 2116 CA ASN B 147 10.753 -20.161 18.888 1.00 10.42 C ATOM 2117 C ASN B 147 10.177 -19.020 19.745 1.00 10.55 C ATOM 2118 O ASN B 147 10.572 -17.865 19.608 1.00 10.99 O ATOM 2119 CB ASN B 147 11.363 -21.319 19.702 1.00 10.82 C ATOM 2120 CG ASN B 147 12.404 -20.888 20.716 1.00 12.15 C ATOM 2121 OD1 ASN B 147 12.604 -19.717 20.994 1.00 13.09 O ATOM 2122 ND2 ASN B 147 13.102 -21.895 21.272 1.00 14.87 N ATOM 0 H ASN B 147 12.521 -19.731 18.119 1.00 9.99 H new ATOM 0 HA ASN B 147 9.991 -20.544 18.426 1.00 10.42 H new ATOM 0 HB2 ASN B 147 10.650 -21.786 20.165 1.00 10.82 H new ATOM 0 HB3 ASN B 147 11.767 -21.954 19.089 1.00 10.82 H new ATOM 0 HD21 ASN B 147 13.717 -21.725 21.848 1.00 14.87 H new ATOM 0 HD22 ASN B 147 12.933 -22.709 21.051 1.00 14.87 H new ATOM 2123 N PRO B 148 9.184 -19.339 20.589 1.00 11.42 N ATOM 2124 CA PRO B 148 8.561 -18.305 21.426 1.00 12.72 C ATOM 2125 C PRO B 148 9.500 -17.585 22.395 1.00 13.79 C ATOM 2126 O PRO B 148 9.132 -16.530 22.911 1.00 14.00 O ATOM 2127 CB PRO B 148 7.438 -19.076 22.135 1.00 13.01 C ATOM 2128 CG PRO B 148 7.120 -20.188 21.201 1.00 12.34 C ATOM 2129 CD PRO B 148 8.454 -20.607 20.687 1.00 12.49 C ATOM 0 HA PRO B 148 8.249 -17.558 20.892 1.00 12.72 H new ATOM 0 HB2 PRO B 148 7.727 -19.409 22.999 1.00 13.01 H new ATOM 0 HB3 PRO B 148 6.665 -18.512 22.292 1.00 13.01 H new ATOM 0 HG2 PRO B 148 6.668 -20.916 21.655 1.00 12.34 H new ATOM 0 HG3 PRO B 148 6.537 -19.895 20.483 1.00 12.34 H new ATOM 0 HD2 PRO B 148 8.892 -21.228 21.290 1.00 12.49 H new ATOM 0 HD3 PRO B 148 8.385 -21.049 19.826 1.00 12.49 H new ATOM 2130 N GLU B 149 10.674 -18.152 22.657 1.00 15.70 N ATOM 2131 CA GLU B 149 11.702 -17.490 23.475 1.00 18.14 C ATOM 2132 C GLU B 149 12.677 -16.638 22.669 1.00 17.76 C ATOM 2133 O GLU B 149 13.600 -16.051 23.215 1.00 18.97 O ATOM 2134 CB GLU B 149 12.480 -18.535 24.279 1.00 20.84 C ATOM 2135 CG GLU B 149 11.644 -19.248 25.335 1.00 24.19 C ATOM 2136 CD GLU B 149 10.569 -20.151 24.744 1.00 26.81 C ATOM 2137 OE1 GLU B 149 10.892 -21.022 23.889 1.00 29.89 O ATOM 2138 OE2 GLU B 149 9.385 -19.977 25.137 1.00 30.70 O ATOM 0 H GLU B 149 10.902 -18.930 22.369 1.00 15.70 H new ATOM 0 HA GLU B 149 11.228 -16.884 24.066 1.00 18.14 H new ATOM 0 HB2 GLU B 149 12.845 -19.194 23.668 1.00 20.84 H new ATOM 0 HB3 GLU B 149 13.232 -18.103 24.712 1.00 20.84 H new ATOM 0 HG2 GLU B 149 12.229 -19.778 25.898 1.00 24.19 H new ATOM 0 HG3 GLU B 149 11.224 -18.587 25.906 1.00 24.19 H new ATOM 2139 N GLY B 150 12.484 -16.548 21.355 1.00 15.91 N ATOM 2140 CA GLY B 150 13.330 -15.724 20.522 1.00 15.56 C ATOM 2141 C GLY B 150 14.603 -16.381 20.030 1.00 14.86 C ATOM 2142 O GLY B 150 15.479 -15.671 19.554 1.00 16.00 O ATOM 0 H GLY B 150 11.861 -16.963 20.931 1.00 15.91 H new ATOM 0 HA2 GLY B 150 12.816 -15.435 19.752 1.00 15.56 H new ATOM 0 HA3 GLY B 150 13.568 -14.926 21.020 1.00 15.56 H new ATOM 2143 N LYS B 151 14.683 -17.701 20.120 1.00 13.84 N ATOM 2144 CA LYS B 151 15.866 -18.457 19.713 1.00 14.68 C ATOM 2145 C LYS B 151 15.657 -19.035 18.324 1.00 13.52 C ATOM 2146 O LYS B 151 14.591 -19.556 18.029 1.00 12.87 O ATOM 2147 CB LYS B 151 16.134 -19.623 20.673 1.00 16.94 C ATOM 2148 CG LYS B 151 16.096 -19.262 22.151 1.00 20.63 C ATOM 2149 CD LYS B 151 17.198 -18.310 22.510 1.00 23.35 C ATOM 2150 CE LYS B 151 17.615 -18.506 23.985 1.00 25.23 C ATOM 2151 NZ LYS B 151 18.024 -17.240 24.638 1.00 28.24 N ATOM 0 H LYS B 151 14.045 -18.192 20.423 1.00 13.84 H new ATOM 0 HA LYS B 151 16.621 -17.848 19.723 1.00 14.68 H new ATOM 0 HB2 LYS B 151 15.478 -20.318 20.507 1.00 16.94 H new ATOM 0 HB3 LYS B 151 17.004 -19.999 20.468 1.00 16.94 H new ATOM 0 HG2 LYS B 151 15.239 -18.863 22.366 1.00 20.63 H new ATOM 0 HG3 LYS B 151 16.176 -20.068 22.685 1.00 20.63 H new ATOM 0 HD2 LYS B 151 17.961 -18.455 21.929 1.00 23.35 H new ATOM 0 HD3 LYS B 151 16.904 -17.397 22.369 1.00 23.35 H new ATOM 0 HE2 LYS B 151 16.875 -18.895 24.477 1.00 25.23 H new ATOM 0 HE3 LYS B 151 18.348 -19.139 24.028 1.00 25.23 H new ATOM 0 HZ1 LYS B 151 18.504 -17.422 25.365 1.00 28.24 H new ATOM 0 HZ2 LYS B 151 18.514 -16.759 24.072 1.00 28.24 H new ATOM 0 HZ3 LYS B 151 17.300 -16.778 24.870 1.00 28.24 H new ATOM 2152 N VAL B 152 16.706 -19.002 17.509 1.00 13.25 N ATOM 2153 CA VAL B 152 16.704 -19.683 16.213 1.00 13.05 C ATOM 2154 C VAL B 152 16.853 -21.180 16.413 1.00 12.87 C ATOM 2155 O VAL B 152 17.879 -21.653 16.924 1.00 15.17 O ATOM 2156 CB VAL B 152 17.825 -19.147 15.292 1.00 13.47 C ATOM 2157 CG1 VAL B 152 17.862 -19.914 13.975 1.00 14.39 C ATOM 2158 CG2 VAL B 152 17.649 -17.667 15.020 1.00 14.05 C ATOM 0 H VAL B 152 17.437 -18.587 17.688 1.00 13.25 H new ATOM 0 HA VAL B 152 15.855 -19.503 15.779 1.00 13.05 H new ATOM 0 HB VAL B 152 18.668 -19.278 15.754 1.00 13.47 H new ATOM 0 HG11 VAL B 152 18.571 -19.561 13.415 1.00 14.39 H new ATOM 0 HG12 VAL B 152 18.027 -20.853 14.152 1.00 14.39 H new ATOM 0 HG13 VAL B 152 17.011 -19.816 13.519 1.00 14.39 H new ATOM 0 HG21 VAL B 152 18.363 -17.357 14.442 1.00 14.05 H new ATOM 0 HG22 VAL B 152 16.794 -17.517 14.587 1.00 14.05 H new ATOM 0 HG23 VAL B 152 17.677 -17.178 15.857 1.00 14.05 H new ATOM 2159 N VAL B 153 15.844 -21.945 16.036 1.00 11.34 N ATOM 2160 CA VAL B 153 15.924 -23.387 16.192 1.00 12.74 C ATOM 2161 C VAL B 153 16.377 -24.072 14.922 1.00 12.23 C ATOM 2162 O VAL B 153 16.972 -25.116 15.027 1.00 11.99 O ATOM 2163 CB AVAL B 153 14.572 -24.001 16.751 0.40 13.79 C ATOM 2164 CB BVAL B 153 14.649 -24.020 16.740 0.60 14.18 C ATOM 2165 CG1AVAL B 153 13.361 -23.245 16.309 0.40 14.39 C ATOM 2166 CG1BVAL B 153 14.274 -23.386 18.059 0.60 14.33 C ATOM 2167 CG2AVAL B 153 14.396 -25.492 16.393 0.40 13.04 C ATOM 2168 CG2BVAL B 153 13.539 -23.964 15.773 0.60 13.13 C ATOM 0 H VAL B 153 15.111 -21.655 15.691 1.00 11.34 H new ATOM 0 HA VAL B 153 16.606 -23.559 16.860 1.00 12.74 H new ATOM 0 HB AVAL B 153 14.651 -23.921 17.714 0.40 14.18 H new ATOM 0 HB BVAL B 153 14.828 -24.961 16.894 0.60 14.18 H new ATOM 0 HG11AVAL B 153 12.567 -23.662 16.678 0.40 14.33 H new ATOM 0 HG11BVAL B 153 13.463 -23.797 18.397 0.60 14.33 H new ATOM 0 HG12AVAL B 153 13.420 -22.329 16.621 0.40 14.33 H new ATOM 0 HG12BVAL B 153 14.992 -23.518 18.697 0.60 14.33 H new ATOM 0 HG13AVAL B 153 13.310 -23.253 15.340 0.40 14.33 H new ATOM 0 HG13BVAL B 153 14.126 -22.436 17.931 0.60 14.33 H new ATOM 0 HG21AVAL B 153 13.557 -25.816 16.757 0.40 13.13 H new ATOM 0 HG21BVAL B 153 12.751 -24.376 16.161 0.60 13.13 H new ATOM 0 HG22AVAL B 153 14.390 -25.595 15.428 0.40 13.13 H new ATOM 0 HG22BVAL B 153 13.346 -23.039 15.555 0.60 13.13 H new ATOM 0 HG23AVAL B 153 15.130 -26.004 16.768 0.40 13.13 H new ATOM 0 HG23BVAL B 153 13.788 -24.441 14.966 0.60 13.13 H new ATOM 2169 N LYS B 154 16.153 -23.487 13.753 1.00 11.87 N ATOM 2170 CA LYS B 154 16.516 -24.094 12.487 1.00 11.28 C ATOM 2171 C LYS B 154 16.485 -23.015 11.415 1.00 10.89 C ATOM 2172 O LYS B 154 15.688 -22.065 11.519 1.00 10.98 O ATOM 2173 CB ALYS B 154 15.535 -25.222 12.152 0.30 12.33 C ATOM 2174 CB BLYS B 154 15.551 -25.248 12.146 0.70 12.95 C ATOM 2175 CG ALYS B 154 15.882 -26.040 10.927 0.30 12.86 C ATOM 2176 CG BLYS B 154 15.907 -26.033 10.901 0.70 13.61 C ATOM 2177 CD ALYS B 154 14.712 -26.916 10.499 0.30 13.40 C ATOM 2178 CD BLYS B 154 15.461 -27.500 10.952 0.70 14.62 C ATOM 2179 CE ALYS B 154 14.438 -28.020 11.507 0.30 14.07 C ATOM 2180 CE BLYS B 154 13.953 -27.639 10.888 0.70 14.22 C ATOM 2181 NZ ALYS B 154 13.986 -29.286 10.842 0.30 13.69 N ATOM 2182 NZ BLYS B 154 13.538 -29.108 10.712 0.70 13.52 N ATOM 0 H LYS B 154 15.781 -22.716 13.674 1.00 11.87 H new ATOM 0 HA LYS B 154 17.406 -24.477 12.536 1.00 11.28 H new ATOM 0 HB2ALYS B 154 15.478 -25.818 12.915 0.30 12.95 H new ATOM 0 HB2BLYS B 154 15.520 -25.859 12.899 0.70 12.95 H new ATOM 0 HB3ALYS B 154 14.654 -24.837 12.026 0.30 12.95 H new ATOM 0 HB3BLYS B 154 14.658 -24.884 12.038 0.70 12.95 H new ATOM 0 HG2ALYS B 154 16.129 -25.448 10.199 0.30 13.61 H new ATOM 0 HG2BLYS B 154 15.500 -25.606 10.131 0.70 13.61 H new ATOM 0 HG3ALYS B 154 16.654 -26.596 11.115 0.30 13.61 H new ATOM 0 HG3BLYS B 154 16.868 -25.999 10.770 0.70 13.61 H new ATOM 0 HD2ALYS B 154 13.918 -26.368 10.395 0.30 14.62 H new ATOM 0 HD2BLYS B 154 15.861 -27.984 10.213 0.70 14.62 H new ATOM 0 HD3ALYS B 154 14.901 -27.308 9.632 0.30 14.62 H new ATOM 0 HD3BLYS B 154 15.788 -27.908 11.769 0.70 14.62 H new ATOM 0 HE2ALYS B 154 15.242 -28.195 12.021 0.30 14.22 H new ATOM 0 HE2BLYS B 154 13.558 -27.284 11.700 0.70 14.22 H new ATOM 0 HE3ALYS B 154 13.759 -27.724 12.133 0.30 14.22 H new ATOM 0 HE3BLYS B 154 13.608 -27.112 10.150 0.70 14.22 H new ATOM 0 HZ1ALYS B 154 14.217 -29.984 11.344 0.30 13.52 H new ATOM 0 HZ1BLYS B 154 12.654 -29.158 10.619 0.70 13.52 H new ATOM 0 HZ2ALYS B 154 13.102 -29.271 10.744 0.30 13.52 H new ATOM 0 HZ2BLYS B 154 13.932 -29.443 9.988 0.70 13.52 H new ATOM 0 HZ3ALYS B 154 14.371 -29.356 10.043 0.30 13.52 H new ATOM 0 HZ3BLYS B 154 13.787 -29.575 11.427 0.70 13.52 H new ATOM 2183 N VAL B 155 17.337 -23.128 10.413 1.00 9.89 N ATOM 2184 CA VAL B 155 17.398 -22.231 9.262 1.00 9.29 C ATOM 2185 C VAL B 155 17.167 -23.056 8.002 1.00 9.07 C ATOM 2186 O VAL B 155 17.631 -24.187 7.901 1.00 9.82 O ATOM 2187 CB VAL B 155 18.763 -21.536 9.191 1.00 10.37 C ATOM 2188 CG1 VAL B 155 18.844 -20.560 8.011 1.00 13.06 C ATOM 2189 CG2 VAL B 155 19.043 -20.786 10.520 1.00 11.94 C ATOM 0 H VAL B 155 17.924 -23.756 10.378 1.00 9.89 H new ATOM 0 HA VAL B 155 16.717 -21.545 9.345 1.00 9.29 H new ATOM 0 HB VAL B 155 19.437 -22.220 9.054 1.00 10.37 H new ATOM 0 HG11 VAL B 155 19.718 -20.140 7.997 1.00 13.06 H new ATOM 0 HG12 VAL B 155 18.705 -21.043 7.181 1.00 13.06 H new ATOM 0 HG13 VAL B 155 18.160 -19.879 8.107 1.00 13.06 H new ATOM 0 HG21 VAL B 155 19.907 -20.349 10.469 1.00 11.94 H new ATOM 0 HG22 VAL B 155 18.353 -20.121 10.668 1.00 11.94 H new ATOM 0 HG23 VAL B 155 19.044 -21.419 11.255 1.00 11.94 H new ATOM 2190 N VAL B 156 16.448 -22.501 7.039 1.00 8.73 N ATOM 2191 CA VAL B 156 16.124 -23.183 5.792 1.00 8.93 C ATOM 2192 C VAL B 156 16.447 -22.252 4.635 1.00 9.19 C ATOM 2193 O VAL B 156 15.879 -21.153 4.558 1.00 10.76 O ATOM 2194 CB VAL B 156 14.649 -23.621 5.735 1.00 9.17 C ATOM 2195 CG1 VAL B 156 14.364 -24.319 4.430 1.00 11.98 C ATOM 2196 CG2 VAL B 156 14.273 -24.463 6.933 1.00 11.23 C ATOM 0 H VAL B 156 16.128 -21.704 7.090 1.00 8.73 H new ATOM 0 HA VAL B 156 16.656 -23.992 5.734 1.00 8.93 H new ATOM 0 HB VAL B 156 14.089 -22.830 5.774 1.00 9.17 H new ATOM 0 HG11 VAL B 156 13.433 -24.590 4.405 1.00 11.98 H new ATOM 0 HG12 VAL B 156 14.544 -23.714 3.693 1.00 11.98 H new ATOM 0 HG13 VAL B 156 14.931 -25.102 4.351 1.00 11.98 H new ATOM 0 HG21 VAL B 156 13.341 -24.722 6.867 1.00 11.23 H new ATOM 0 HG22 VAL B 156 14.828 -25.258 6.957 1.00 11.23 H new ATOM 0 HG23 VAL B 156 14.409 -23.950 7.745 1.00 11.23 H new ATOM 2197 N THR B 157 17.329 -22.648 3.741 1.00 9.36 N ATOM 2198 CA THR B 157 17.657 -21.874 2.539 1.00 9.93 C ATOM 2199 C THR B 157 17.093 -22.592 1.333 1.00 10.33 C ATOM 2200 O THR B 157 17.239 -23.807 1.204 1.00 11.71 O ATOM 2201 CB THR B 157 19.168 -21.727 2.437 1.00 11.86 C ATOM 2202 OG1 THR B 157 19.610 -20.873 3.499 1.00 15.49 O ATOM 2203 CG2 THR B 157 19.619 -21.041 1.131 1.00 12.56 C ATOM 0 H THR B 157 17.767 -23.385 3.807 1.00 9.36 H new ATOM 0 HA THR B 157 17.268 -20.986 2.583 1.00 9.93 H new ATOM 0 HB THR B 157 19.540 -22.622 2.473 1.00 11.86 H new ATOM 0 HG1 THR B 157 19.328 -20.093 3.367 1.00 15.49 H new ATOM 0 HG21 THR B 157 20.587 -20.973 1.118 1.00 12.56 H new ATOM 0 HG22 THR B 157 19.322 -21.565 0.371 1.00 12.56 H new ATOM 0 HG23 THR B 157 19.233 -20.153 1.082 1.00 12.56 H new ATOM 2204 N GLY B 158 16.458 -21.855 0.433 1.00 9.24 N ATOM 2205 CA GLY B 158 15.840 -22.402 -0.740 1.00 8.97 C ATOM 2206 C GLY B 158 14.351 -22.579 -0.571 1.00 8.03 C ATOM 2207 O GLY B 158 13.790 -22.378 0.499 1.00 9.48 O ATOM 0 H GLY B 158 16.378 -21.001 0.498 1.00 9.24 H new ATOM 0 HA2 GLY B 158 16.011 -21.818 -1.496 1.00 8.97 H new ATOM 0 HA3 GLY B 158 16.244 -23.259 -0.947 1.00 8.97 H new ATOM 2208 N THR B 159 13.717 -22.978 -1.657 1.00 9.94 N ATOM 2209 CA THR B 159 12.267 -23.100 -1.677 1.00 9.01 C ATOM 2210 C THR B 159 11.813 -24.261 -0.784 1.00 9.43 C ATOM 2211 O THR B 159 12.537 -25.255 -0.587 1.00 10.70 O ATOM 2212 CB THR B 159 11.751 -23.243 -3.134 1.00 11.57 C ATOM 2213 OG1 THR B 159 10.393 -22.792 -3.198 1.00 12.14 O ATOM 2214 CG2 THR B 159 11.742 -24.680 -3.619 1.00 12.08 C ATOM 0 H THR B 159 14.105 -23.184 -2.396 1.00 9.94 H new ATOM 0 HA THR B 159 11.877 -22.289 -1.314 1.00 9.01 H new ATOM 0 HB THR B 159 12.352 -22.721 -3.689 1.00 11.57 H new ATOM 0 HG1 THR B 159 10.379 -21.959 -3.307 1.00 12.14 H new ATOM 0 HG21 THR B 159 11.412 -24.712 -4.531 1.00 12.08 H new ATOM 0 HG22 THR B 159 12.643 -25.038 -3.589 1.00 12.08 H new ATOM 0 HG23 THR B 159 11.165 -25.211 -3.048 1.00 12.08 H new HETATM 2215 N MSE B 160 10.622 -24.117 -0.209 1.00 10.33 N HETATM 2216 CA MSE B 160 10.058 -25.062 0.763 1.00 10.01 C HETATM 2217 C MSE B 160 8.730 -25.569 0.231 1.00 9.97 C HETATM 2218 O MSE B 160 7.916 -24.776 -0.268 1.00 10.71 O HETATM 2219 CB MSE B 160 9.851 -24.384 2.122 1.00 10.65 C HETATM 2220 CG MSE B 160 11.110 -23.801 2.714 1.00 11.40 C HETATM 2221 SE MSE B 160 10.744 -22.760 4.330 1.00 13.31 SE HETATM 2222 CE MSE B 160 9.985 -21.248 3.452 1.00 11.67 C HETATM 0 H MSE B 160 10.104 -23.451 -0.375 1.00 10.33 H new HETATM 0 HA MSE B 160 10.674 -25.801 0.887 1.00 10.01 H new HETATM 0 HB2 MSE B 160 9.193 -23.678 2.024 1.00 10.65 H new HETATM 0 HB3 MSE B 160 9.482 -25.031 2.743 1.00 10.65 H new HETATM 0 HG2 MSE B 160 11.729 -24.517 2.925 1.00 11.40 H new HETATM 0 HG3 MSE B 160 11.544 -23.235 2.057 1.00 11.40 H new HETATM 0 HE1 MSE B 160 9.726 -20.586 4.112 1.00 11.67 H new HETATM 0 HE2 MSE B 160 10.639 -20.863 2.847 1.00 11.67 H new HETATM 0 HE3 MSE B 160 9.203 -21.525 2.949 1.00 11.67 H new ATOM 2223 N THR B 161 8.487 -26.872 0.342 1.00 8.62 N ATOM 2224 CA THR B 161 7.181 -27.443 -0.029 1.00 8.57 C ATOM 2225 C THR B 161 6.213 -27.146 1.101 1.00 8.88 C ATOM 2226 O THR B 161 6.595 -26.816 2.218 1.00 9.01 O ATOM 2227 CB THR B 161 7.246 -28.951 -0.223 1.00 9.24 C ATOM 2228 OG1 THR B 161 7.643 -29.558 1.020 1.00 8.87 O ATOM 2229 CG2 THR B 161 8.287 -29.330 -1.261 1.00 9.09 C ATOM 0 H THR B 161 9.059 -27.446 0.629 1.00 8.62 H new ATOM 0 HA THR B 161 6.899 -27.049 -0.869 1.00 8.57 H new ATOM 0 HB THR B 161 6.372 -29.255 -0.515 1.00 9.24 H new ATOM 0 HG1 THR B 161 7.024 -30.051 1.301 1.00 8.87 H new ATOM 0 HG21 THR B 161 8.306 -30.294 -1.363 1.00 9.09 H new ATOM 0 HG22 THR B 161 8.062 -28.920 -2.110 1.00 9.09 H new ATOM 0 HG23 THR B 161 9.159 -29.019 -0.973 1.00 9.09 H new ATOM 2230 N GLU B 162 4.928 -27.269 0.810 1.00 8.85 N ATOM 2231 CA GLU B 162 3.928 -27.085 1.836 1.00 8.48 C ATOM 2232 C GLU B 162 4.059 -28.057 3.002 1.00 7.73 C ATOM 2233 O GLU B 162 3.887 -27.662 4.155 1.00 8.35 O ATOM 2234 CB GLU B 162 2.534 -27.158 1.233 1.00 10.22 C ATOM 2235 CG GLU B 162 1.505 -26.545 2.155 1.00 10.68 C ATOM 2236 CD GLU B 162 0.146 -26.327 1.532 1.00 13.95 C ATOM 2237 OE1 GLU B 162 -0.021 -26.495 0.305 1.00 17.44 O ATOM 2238 OE2 GLU B 162 -0.758 -25.988 2.319 1.00 14.80 O ATOM 0 H GLU B 162 4.619 -27.457 0.030 1.00 8.85 H new ATOM 0 HA GLU B 162 4.078 -26.201 2.207 1.00 8.48 H new ATOM 0 HB2 GLU B 162 2.523 -26.696 0.380 1.00 10.22 H new ATOM 0 HB3 GLU B 162 2.303 -28.084 1.057 1.00 10.22 H new ATOM 0 HG2 GLU B 162 1.403 -27.118 2.931 1.00 10.68 H new ATOM 0 HG3 GLU B 162 1.841 -25.693 2.473 1.00 10.68 H new ATOM 2239 N SER B 163 4.383 -29.319 2.717 1.00 8.78 N ATOM 2240 CA SER B 163 4.620 -30.277 3.793 1.00 9.32 C ATOM 2241 C SER B 163 5.786 -29.876 4.690 1.00 8.87 C ATOM 2242 O SER B 163 5.724 -30.031 5.915 1.00 9.63 O ATOM 2243 CB ASER B 163 4.882 -31.661 3.204 0.50 9.88 C ATOM 2244 CB BSER B 163 4.806 -31.705 3.266 0.50 10.08 C ATOM 2245 OG ASER B 163 5.144 -32.592 4.226 0.50 10.88 O ATOM 2246 OG BSER B 163 5.919 -31.813 2.410 0.50 11.50 O ATOM 0 H SER B 163 4.469 -29.635 1.922 1.00 8.78 H new ATOM 0 HA SER B 163 3.822 -30.290 4.344 1.00 9.32 H new ATOM 0 HB2ASER B 163 4.114 -31.949 2.687 0.50 10.08 H new ATOM 0 HB2BSER B 163 4.915 -32.313 4.014 0.50 10.08 H new ATOM 0 HB3ASER B 163 5.636 -31.621 2.595 0.50 10.08 H new ATOM 0 HB3BSER B 163 4.006 -31.980 2.791 0.50 10.08 H new ATOM 0 HG ASER B 163 4.747 -32.357 4.928 0.50 11.50 H new ATOM 0 HG BSER B 163 6.617 -31.908 2.868 0.50 11.50 H new HETATM 2247 N MSE B 164 6.854 -29.359 4.092 1.00 8.85 N HETATM 2248 CA MSE B 164 7.986 -28.901 4.887 1.00 10.25 C HETATM 2249 C MSE B 164 7.575 -27.726 5.768 1.00 9.06 C HETATM 2250 O MSE B 164 7.895 -27.692 6.953 1.00 9.29 O HETATM 2251 CB MSE B 164 9.149 -28.482 4.005 1.00 11.26 C HETATM 2252 CG MSE B 164 9.894 -29.604 3.360 1.00 12.32 C HETATM 2253 SE MSE B 164 10.989 -29.077 1.739 1.00 15.48 SE HETATM 2254 CE MSE B 164 12.291 -28.025 2.598 1.00 15.69 C HETATM 0 H MSE B 164 6.943 -29.266 3.242 1.00 8.85 H new HETATM 0 HA MSE B 164 8.270 -29.643 5.443 1.00 10.25 H new HETATM 0 HB2 MSE B 164 8.814 -27.894 3.310 1.00 11.26 H new HETATM 0 HB3 MSE B 164 9.771 -27.964 4.539 1.00 11.26 H new HETATM 0 HG2 MSE B 164 10.485 -30.003 4.018 1.00 12.32 H new HETATM 0 HG3 MSE B 164 9.259 -30.288 3.097 1.00 12.32 H new HETATM 0 HE1 MSE B 164 12.917 -27.683 1.940 1.00 15.69 H new HETATM 0 HE2 MSE B 164 11.861 -27.283 3.051 1.00 15.69 H new HETATM 0 HE3 MSE B 164 12.768 -28.566 3.247 1.00 15.69 H new ATOM 2255 N ILE B 165 6.849 -26.758 5.207 1.00 9.00 N ATOM 2256 CA ILE B 165 6.410 -25.585 5.961 1.00 9.24 C ATOM 2257 C ILE B 165 5.525 -25.977 7.130 1.00 9.20 C ATOM 2258 O ILE B 165 5.673 -25.440 8.232 1.00 9.60 O ATOM 2259 CB ILE B 165 5.667 -24.594 5.031 1.00 9.66 C ATOM 2260 CG1 ILE B 165 6.658 -24.027 3.999 1.00 10.45 C ATOM 2261 CG2 ILE B 165 4.958 -23.492 5.826 1.00 9.75 C ATOM 2262 CD1 ILE B 165 6.022 -23.320 2.802 1.00 10.50 C ATOM 0 H ILE B 165 6.599 -26.763 4.384 1.00 9.00 H new ATOM 0 HA ILE B 165 7.199 -25.149 6.319 1.00 9.24 H new ATOM 0 HB ILE B 165 4.967 -25.068 4.556 1.00 9.66 H new ATOM 0 HG12 ILE B 165 7.248 -23.402 4.449 1.00 10.45 H new ATOM 0 HG13 ILE B 165 7.211 -24.753 3.671 1.00 10.45 H new ATOM 0 HG21 ILE B 165 4.505 -22.892 5.214 1.00 9.75 H new ATOM 0 HG22 ILE B 165 4.309 -23.892 6.426 1.00 9.75 H new ATOM 0 HG23 ILE B 165 5.611 -22.994 6.342 1.00 9.75 H new ATOM 0 HD11 ILE B 165 6.718 -22.998 2.209 1.00 10.50 H new ATOM 0 HD12 ILE B 165 5.453 -23.943 2.323 1.00 10.50 H new ATOM 0 HD13 ILE B 165 5.491 -22.571 3.113 1.00 10.50 H new ATOM 2263 N HIS B 166 4.626 -26.918 6.907 1.00 9.23 N ATOM 2264 CA HIS B 166 3.747 -27.405 7.956 1.00 10.50 C ATOM 2265 C HIS B 166 4.558 -27.920 9.144 1.00 9.60 C ATOM 2266 O HIS B 166 4.299 -27.576 10.302 1.00 10.44 O ATOM 2267 CB HIS B 166 2.873 -28.524 7.384 1.00 11.56 C ATOM 2268 CG HIS B 166 1.920 -29.104 8.372 1.00 12.67 C ATOM 2269 ND1 HIS B 166 0.668 -28.572 8.579 1.00 14.93 N ATOM 2270 CD2 HIS B 166 2.053 -30.121 9.250 1.00 13.73 C ATOM 2271 CE1 HIS B 166 0.052 -29.263 9.522 1.00 14.81 C ATOM 2272 NE2 HIS B 166 0.863 -30.215 9.942 1.00 14.98 N ATOM 0 H HIS B 166 4.507 -27.294 6.143 1.00 9.23 H new ATOM 0 HA HIS B 166 3.187 -26.679 8.271 1.00 10.50 H new ATOM 0 HB2 HIS B 166 2.373 -28.178 6.628 1.00 11.56 H new ATOM 0 HB3 HIS B 166 3.446 -29.230 7.046 1.00 11.56 H new ATOM 0 HD1 HIS B 166 0.339 -27.897 8.161 1.00 14.93 H new ATOM 0 HD2 HIS B 166 2.804 -30.657 9.366 1.00 13.73 H new ATOM 0 HE1 HIS B 166 -0.809 -29.105 9.837 1.00 14.81 H new ATOM 2273 N ASP B 167 5.540 -28.763 8.852 1.00 10.27 N ATOM 2274 CA ASP B 167 6.360 -29.300 9.916 1.00 11.16 C ATOM 2275 C ASP B 167 7.223 -28.232 10.589 1.00 10.30 C ATOM 2276 O ASP B 167 7.395 -28.251 11.792 1.00 9.93 O ATOM 2277 CB AASP B 167 7.218 -30.379 9.275 0.00 11.17 C ATOM 2278 CB BASP B 167 7.185 -30.462 9.394 1.00 12.30 C ATOM 2279 CG AASP B 167 8.082 -31.138 10.243 0.00 15.18 C ATOM 2280 CG BASP B 167 6.317 -31.669 9.060 1.00 15.75 C ATOM 2281 OD1AASP B 167 7.554 -31.727 11.208 0.00 19.29 O ATOM 2282 OD1BASP B 167 5.194 -31.784 9.617 1.00 19.98 O ATOM 2283 OD2AASP B 167 9.318 -31.238 10.070 0.00 20.39 O ATOM 2284 OD2BASP B 167 6.669 -32.535 8.240 1.00 19.36 O ATOM 0 H ASP B 167 5.742 -29.030 8.060 1.00 10.27 H new ATOM 0 HA ASP B 167 5.804 -29.656 10.626 1.00 11.16 H new ATOM 0 HB2AASP B 167 6.639 -31.006 8.814 0.00 12.30 H new ATOM 0 HB2BASP B 167 7.670 -30.184 8.602 1.00 12.30 H new ATOM 0 HB3AASP B 167 7.786 -29.970 8.603 0.00 12.30 H new ATOM 0 HB3BASP B 167 7.846 -30.713 10.058 1.00 12.30 H new ATOM 2285 N TYR B 168 7.727 -27.269 9.826 1.00 9.88 N ATOM 2286 CA TYR B 168 8.490 -26.151 10.397 1.00 9.50 C ATOM 2287 C TYR B 168 7.657 -25.305 11.362 1.00 10.19 C ATOM 2288 O TYR B 168 8.140 -24.916 12.422 1.00 10.23 O ATOM 2289 CB TYR B 168 9.029 -25.241 9.314 1.00 9.69 C ATOM 2290 CG TYR B 168 10.015 -25.880 8.360 1.00 9.05 C ATOM 2291 CD1 TYR B 168 10.166 -25.400 7.048 1.00 9.47 C ATOM 2292 CD2 TYR B 168 10.783 -26.976 8.730 1.00 9.78 C ATOM 2293 CE1 TYR B 168 11.057 -25.957 6.176 1.00 9.18 C ATOM 2294 CE2 TYR B 168 11.649 -27.570 7.843 1.00 10.57 C ATOM 2295 CZ TYR B 168 11.793 -27.048 6.569 1.00 8.75 C ATOM 2296 OH TYR B 168 12.665 -27.637 5.671 1.00 10.90 O ATOM 0 H TYR B 168 7.641 -27.240 8.971 1.00 9.88 H new ATOM 0 HA TYR B 168 9.222 -26.558 10.887 1.00 9.50 H new ATOM 0 HB2 TYR B 168 8.282 -24.897 8.800 1.00 9.69 H new ATOM 0 HB3 TYR B 168 9.457 -24.480 9.736 1.00 9.69 H new ATOM 0 HD1 TYR B 168 9.645 -24.683 6.766 1.00 9.47 H new ATOM 0 HD2 TYR B 168 10.710 -27.314 9.593 1.00 9.78 H new ATOM 0 HE1 TYR B 168 11.165 -25.601 5.324 1.00 9.18 H new ATOM 0 HE2 TYR B 168 12.136 -28.320 8.098 1.00 10.57 H new ATOM 0 HH TYR B 168 12.952 -27.056 5.137 1.00 10.90 H new HETATM 2297 N MSE B 169 6.402 -25.055 11.018 1.00 9.62 N HETATM 2298 CA MSE B 169 5.534 -24.277 11.898 1.00 10.29 C HETATM 2299 C MSE B 169 5.153 -25.043 13.163 1.00 10.41 C HETATM 2300 O MSE B 169 5.040 -24.459 14.248 1.00 11.20 O HETATM 2301 CB MSE B 169 4.314 -23.771 11.138 1.00 10.45 C HETATM 2302 CG MSE B 169 4.714 -22.763 10.068 1.00 11.03 C HETATM 2303 SE MSE B 169 3.157 -21.984 9.172 1.00 14.53 SE HETATM 2304 CE MSE B 169 4.136 -20.741 8.067 1.00 13.91 C HETATM 0 H MSE B 169 6.034 -25.322 10.288 1.00 9.62 H new HETATM 0 HA MSE B 169 6.036 -23.503 12.199 1.00 10.29 H new HETATM 0 HB2 MSE B 169 3.853 -24.518 10.726 1.00 10.45 H new HETATM 0 HB3 MSE B 169 3.691 -23.360 11.757 1.00 10.45 H new HETATM 0 HG2 MSE B 169 5.241 -22.056 10.472 1.00 11.03 H new HETATM 0 HG3 MSE B 169 5.280 -23.198 9.411 1.00 11.03 H new HETATM 0 HE1 MSE B 169 3.515 -20.234 7.521 1.00 13.91 H new HETATM 0 HE2 MSE B 169 4.640 -20.134 8.631 1.00 13.91 H new HETATM 0 HE3 MSE B 169 4.746 -21.229 7.493 1.00 13.91 H new ATOM 2305 N ASN B 170 5.000 -26.359 13.048 1.00 10.02 N ATOM 2306 CA ASN B 170 4.793 -27.180 14.248 1.00 10.91 C ATOM 2307 C ASN B 170 5.973 -27.114 15.222 1.00 11.68 C ATOM 2308 O ASN B 170 5.796 -27.175 16.443 1.00 12.66 O ATOM 2309 CB ASN B 170 4.556 -28.646 13.884 1.00 11.66 C ATOM 2310 CG ASN B 170 3.091 -28.981 13.695 1.00 12.98 C ATOM 2311 OD1 ASN B 170 2.207 -28.270 14.178 1.00 16.82 O ATOM 2312 ND2 ASN B 170 2.827 -30.096 13.011 1.00 17.10 N ATOM 0 H ASN B 170 5.012 -26.792 12.305 1.00 10.02 H new ATOM 0 HA ASN B 170 4.009 -26.810 14.683 1.00 10.91 H new ATOM 0 HB2 ASN B 170 5.038 -28.853 13.068 1.00 11.66 H new ATOM 0 HB3 ASN B 170 4.924 -29.211 14.582 1.00 11.66 H new ATOM 0 HD21 ASN B 170 2.012 -30.345 12.892 1.00 17.10 H new ATOM 0 HD22 ASN B 170 3.471 -30.566 12.689 1.00 17.10 H new ATOM 2313 N LEU B 171 7.180 -26.973 14.681 1.00 10.55 N ATOM 2314 CA LEU B 171 8.383 -26.929 15.514 1.00 11.72 C ATOM 2315 C LEU B 171 8.437 -25.698 16.415 1.00 11.87 C ATOM 2316 O LEU B 171 9.019 -25.748 17.508 1.00 14.09 O ATOM 2317 CB ALEU B 171 9.655 -26.940 14.673 0.50 12.02 C ATOM 2318 CB BLEU B 171 9.611 -27.000 14.602 0.50 12.18 C ATOM 2319 CG ALEU B 171 10.034 -28.221 13.964 0.50 12.83 C ATOM 2320 CG BLEU B 171 11.011 -27.049 15.195 0.50 13.25 C ATOM 2321 CD1ALEU B 171 11.343 -27.988 13.233 0.50 12.60 C ATOM 2322 CD1BLEU B 171 11.204 -28.338 15.948 0.50 13.45 C ATOM 2323 CD2ALEU B 171 10.150 -29.387 14.924 0.50 13.07 C ATOM 2324 CD2BLEU B 171 12.014 -26.936 14.065 0.50 13.40 C ATOM 0 H LEU B 171 7.326 -26.901 13.836 1.00 10.55 H new ATOM 0 HA LEU B 171 8.333 -27.727 16.064 1.00 11.72 H new ATOM 0 HB2ALEU B 171 9.573 -26.244 14.003 0.50 12.18 H new ATOM 0 HB2BLEU B 171 9.508 -27.787 14.044 0.50 12.18 H new ATOM 0 HB3ALEU B 171 10.394 -26.692 15.250 0.50 12.18 H new ATOM 0 HB3BLEU B 171 9.576 -26.229 14.014 0.50 12.18 H new ATOM 0 HG ALEU B 171 9.335 -28.455 13.334 0.50 13.25 H new ATOM 0 HG BLEU B 171 11.138 -26.315 15.817 0.50 13.25 H new ATOM 0 HD11ALEU B 171 11.604 -28.800 12.771 0.50 13.45 H new ATOM 0 HD11BLEU B 171 12.098 -28.363 16.323 0.50 13.45 H new ATOM 0 HD12ALEU B 171 11.231 -27.271 12.589 0.50 13.45 H new ATOM 0 HD12BLEU B 171 10.552 -28.396 16.664 0.50 13.45 H new ATOM 0 HD13ALEU B 171 12.031 -27.744 13.871 0.50 13.45 H new ATOM 0 HD13BLEU B 171 11.087 -29.087 15.343 0.50 13.45 H new ATOM 0 HD21ALEU B 171 10.394 -30.187 14.433 0.50 13.40 H new ATOM 0 HD21BLEU B 171 12.914 -26.966 14.426 0.50 13.40 H new ATOM 0 HD22ALEU B 171 10.832 -29.194 15.587 0.50 13.40 H new ATOM 0 HD22BLEU B 171 11.890 -27.673 13.447 0.50 13.40 H new ATOM 0 HD23ALEU B 171 9.299 -29.527 15.368 0.50 13.40 H new ATOM 0 HD23BLEU B 171 11.881 -26.097 13.597 0.50 13.40 H new ATOM 2325 N ILE B 172 7.843 -24.587 15.982 1.00 10.85 N ATOM 2326 CA ILE B 172 7.977 -23.309 16.698 1.00 10.80 C ATOM 2327 C ILE B 172 6.711 -22.830 17.371 1.00 10.90 C ATOM 2328 O ILE B 172 6.719 -21.803 18.036 1.00 11.84 O ATOM 2329 CB ILE B 172 8.566 -22.202 15.774 1.00 10.37 C ATOM 2330 CG1 ILE B 172 7.684 -21.966 14.538 1.00 10.01 C ATOM 2331 CG2 ILE B 172 10.014 -22.513 15.429 1.00 12.32 C ATOM 2332 CD1 ILE B 172 8.172 -20.809 13.675 1.00 9.99 C ATOM 0 H ILE B 172 7.356 -24.548 15.274 1.00 10.85 H new ATOM 0 HA ILE B 172 8.601 -23.489 17.418 1.00 10.80 H new ATOM 0 HB ILE B 172 8.566 -21.361 16.258 1.00 10.37 H new ATOM 0 HG12 ILE B 172 7.661 -22.775 14.003 1.00 10.01 H new ATOM 0 HG13 ILE B 172 6.774 -21.789 14.824 1.00 10.01 H new ATOM 0 HG21 ILE B 172 10.367 -21.816 14.854 1.00 12.32 H new ATOM 0 HG22 ILE B 172 10.539 -22.556 16.244 1.00 12.32 H new ATOM 0 HG23 ILE B 172 10.061 -23.366 14.969 1.00 12.32 H new ATOM 0 HD11 ILE B 172 7.583 -20.703 12.912 1.00 9.99 H new ATOM 0 HD12 ILE B 172 8.172 -19.992 14.198 1.00 9.99 H new ATOM 0 HD13 ILE B 172 9.072 -20.994 13.365 1.00 9.99 H new ATOM 2333 N LYS B 173 5.618 -23.564 17.244 1.00 10.39 N ATOM 2334 CA LYS B 173 4.379 -23.100 17.879 1.00 12.82 C ATOM 2335 C LYS B 173 4.492 -23.213 19.409 1.00 13.25 C ATOM 2336 O LYS B 173 5.183 -24.099 19.928 1.00 14.30 O ATOM 2337 CB LYS B 173 3.162 -23.814 17.316 1.00 14.28 C ATOM 2338 CG LYS B 173 3.045 -25.239 17.734 1.00 14.26 C ATOM 2339 CD LYS B 173 1.814 -25.894 17.086 1.00 15.62 C ATOM 2340 CE LYS B 173 1.691 -27.371 17.442 1.00 17.57 C ATOM 2341 NZ LYS B 173 0.690 -28.074 16.578 1.00 20.74 N ATOM 0 H LYS B 173 5.563 -24.306 16.814 1.00 10.39 H new ATOM 0 HA LYS B 173 4.252 -22.161 17.670 1.00 12.82 H new ATOM 0 HB2 LYS B 173 2.363 -23.339 17.594 1.00 14.28 H new ATOM 0 HB3 LYS B 173 3.194 -23.773 16.347 1.00 14.28 H new ATOM 0 HG2 LYS B 173 3.846 -25.723 17.480 1.00 14.26 H new ATOM 0 HG3 LYS B 173 2.976 -25.293 18.700 1.00 14.26 H new ATOM 0 HD2 LYS B 173 1.013 -25.427 17.372 1.00 15.62 H new ATOM 0 HD3 LYS B 173 1.869 -25.799 16.122 1.00 15.62 H new ATOM 0 HE2 LYS B 173 2.556 -27.799 17.347 1.00 17.57 H new ATOM 0 HE3 LYS B 173 1.432 -27.458 18.373 1.00 17.57 H new ATOM 0 HZ1 LYS B 173 0.450 -28.839 16.964 1.00 20.74 H new ATOM 0 HZ2 LYS B 173 -0.027 -27.557 16.474 1.00 20.74 H new ATOM 0 HZ3 LYS B 173 1.051 -28.244 15.783 1.00 20.74 H new ATOM 2342 N PRO B 174 3.868 -22.292 20.138 1.00 13.41 N ATOM 2343 CA PRO B 174 3.897 -22.348 21.601 1.00 15.50 C ATOM 2344 C PRO B 174 3.153 -23.562 22.174 1.00 18.36 C ATOM 2345 O PRO B 174 3.760 -24.095 23.109 1.00 23.19 O ATOM 2346 CB PRO B 174 3.262 -21.007 22.024 1.00 16.01 C ATOM 2347 CG PRO B 174 2.621 -20.433 20.858 1.00 14.74 C ATOM 2348 CD PRO B 174 3.180 -21.090 19.635 1.00 13.73 C ATOM 0 HA PRO B 174 4.796 -22.462 21.946 1.00 15.50 H new ATOM 0 HB2 PRO B 174 2.615 -21.146 22.734 1.00 16.01 H new ATOM 0 HB3 PRO B 174 3.939 -20.405 22.371 1.00 16.01 H new ATOM 0 HG2 PRO B 174 1.661 -20.565 20.902 1.00 14.74 H new ATOM 0 HG3 PRO B 174 2.775 -19.476 20.826 1.00 14.74 H new ATOM 0 HD2 PRO B 174 2.478 -21.322 19.008 1.00 13.73 H new ATOM 0 HD3 PRO B 174 3.794 -20.502 19.168 1.00 13.73 H new ATOM 2349 N GLY B 175 2.385 -24.143 21.844 0.00 22.79 N ATOM 2350 CA GLY B 175 1.756 -25.228 22.595 0.00 25.44 C ATOM 2351 C GLY B 175 0.485 -25.779 21.974 0.00 27.22 C ATOM 2352 O GLY B 175 0.422 -26.003 20.759 0.00 30.14 O ATOM 0 HA2 GLY B 175 2.395 -25.952 22.689 0.00 25.44 H new ATOM 0 HA3 GLY B 175 1.553 -24.910 23.489 0.00 25.44 H new TER 2353 GLY B 175 HETATM 2354 O HOH A 188 -10.685 6.907 -4.285 1.00 16.54 O HETATM 2355 O HOH A 189 0.031 11.888 15.948 1.00 16.64 O HETATM 2356 O HOH A 190 -4.735 16.843 14.359 1.00 16.84 O HETATM 2357 O HOH A 191 -6.188 19.712 -4.859 1.00 20.17 O HETATM 2358 O HOH A 192 -4.520 9.498 -13.598 1.00 18.39 O HETATM 2359 O HOH A 193 -2.844 5.547 17.656 1.00 20.80 O HETATM 2360 O HOH A 194 0.428 8.135 -0.098 1.00 20.40 O HETATM 2361 O HOH A 195 -2.993 6.066 10.755 1.00 22.93 O HETATM 2362 O HOH A 196 1.412 4.075 -5.895 1.00 23.62 O HETATM 2363 O HOH A 197 -9.513 23.949 -1.403 1.00 22.90 O HETATM 2364 O HOH A 198 -9.622 3.411 1.025 1.00 20.80 O HETATM 2365 O HOH A 199 -3.960 7.483 -15.513 1.00 21.98 O HETATM 2366 O HOH A 200 1.092 18.731 19.472 1.00 22.89 O HETATM 2367 O HOH A 201 -6.489 14.792 13.663 1.00 20.78 O HETATM 2368 O HOH A 202 4.455 10.390 -6.012 1.00 24.34 O HETATM 2369 O HOH A 203 -17.322 21.674 -0.142 1.00 22.40 O HETATM 2370 O HOH A 204 1.648 -3.301 0.507 1.00 21.56 O HETATM 2371 O HOH A 205 -11.019 12.939 14.146 1.00 26.92 O HETATM 2372 O HOH A 206 -17.954 21.127 3.843 1.00 22.23 O HETATM 2373 O HOH A 207 -21.893 20.860 6.590 1.00 24.70 O HETATM 2374 O HOH A 208 -10.426 3.203 -5.266 1.00 29.04 O HETATM 2375 O HOH A 209 6.582 13.658 12.538 1.00 30.02 O HETATM 2376 O HOH A 210 -4.499 22.864 18.676 1.00 26.57 O HETATM 2377 O HOH A 211 11.880 20.555 13.619 1.00 25.26 O HETATM 2378 O HOH A 212 -9.315 23.643 19.373 1.00 27.68 O HETATM 2379 O HOH A 213 -4.939 10.016 18.897 1.00 28.72 O HETATM 2380 O HOH A 214 2.739 9.694 -0.570 1.00 25.78 O HETATM 2381 O HOH A 215 0.775 30.706 -6.317 1.00 28.26 O HETATM 2382 O HOH A 216 -7.160 9.666 -14.441 1.00 25.30 O HETATM 2383 O HOH A 217 4.631 7.740 -5.328 1.00 27.49 O HETATM 2384 O HOH A 218 1.323 32.630 -4.352 1.00 31.19 O HETATM 2385 O HOH A 219 2.359 3.016 1.670 1.00 24.77 O HETATM 2386 O HOH A 220 -16.208 5.588 -7.368 1.00 28.10 O HETATM 2387 O HOH A 221 -6.115 7.546 16.893 1.00 25.89 O HETATM 2388 O HOH A 222 -8.234 32.869 3.617 1.00 29.05 O HETATM 2389 O HOH A 223 -15.630 11.163 14.429 1.00 34.56 O HETATM 2390 O HOH A 224 -9.157 14.804 14.539 1.00 29.59 O HETATM 2391 O HOH A 225 -20.430 9.061 5.399 1.00 31.41 O HETATM 2392 O HOH A 226 -3.210 11.944 -13.973 1.00 25.63 O HETATM 2393 O HOH A 227 0.831 6.990 2.142 1.00 30.65 O HETATM 2394 O HOH A 228 -16.123 19.723 9.367 1.00 29.46 O HETATM 2395 O HOH A 229 2.948 5.545 -3.920 1.00 33.62 O HETATM 2396 O HOH A 230 -6.626 5.293 -15.088 1.00 43.82 O HETATM 2397 O HOH A 231 4.723 16.620 9.901 1.00 39.51 O HETATM 2398 O HOH A 232 -16.360 19.741 11.900 1.00 39.86 O HETATM 2399 O HOH A 233 -8.846 17.932 -16.597 1.00 36.45 O HETATM 2400 O HOH A 234 -11.458 11.875 16.529 1.00 28.99 O HETATM 2401 O HOH A 235 -6.418 2.407 11.800 1.00 49.49 O HETATM 2402 O HOH A 236 -0.967 30.871 -8.342 1.00 37.37 O HETATM 2403 O HOH A 237 6.935 31.724 7.885 1.00 57.03 O HETATM 2404 O HOH A 238 -13.804 5.816 7.619 1.00 28.70 O HETATM 2405 O HOH A 239 -10.735 29.719 13.236 1.00 32.47 O HETATM 2406 O HOH A 240 -8.346 33.554 8.622 1.00 34.13 O HETATM 2407 O HOH A 241 -1.670 6.929 -2.009 1.00 24.96 O HETATM 2408 O HOH A 242 -3.997 27.358 -7.383 1.00 28.20 O HETATM 2409 O HOH A 243 6.998 12.715 -9.319 1.00 30.34 O HETATM 2410 O HOH A 244 -11.372 26.993 -7.940 1.00 33.21 O HETATM 2411 O HOH A 245 0.870 1.342 -5.286 1.00 30.45 O HETATM 2412 O HOH A 246 -6.184 26.386 16.651 1.00 29.52 O HETATM 2413 O HOH A 247 -0.053 22.115 -12.247 1.00 32.74 O HETATM 2414 O HOH A 248 0.332 25.002 -10.920 1.00 35.35 O HETATM 2415 O HOH A 249 4.874 4.452 -2.225 1.00 32.94 O HETATM 2416 O HOH A 250 7.682 17.307 -5.724 1.00 31.66 O HETATM 2417 O HOH A 251 -20.189 14.027 9.519 1.00 34.59 O HETATM 2418 O HOH A 252 -5.016 14.010 -14.617 1.00 34.55 O HETATM 2419 O HOH A 253 -8.636 0.378 -7.543 1.00 30.80 O HETATM 2420 O HOH A 254 0.666 5.981 -2.257 1.00 39.13 O HETATM 2421 O HOH A 255 1.810 7.807 4.388 1.00 35.87 O HETATM 2422 O HOH A 256 6.168 21.151 -6.823 1.00 36.07 O HETATM 2423 O HOH A 257 3.750 29.738 -6.643 1.00 35.02 O HETATM 2424 O HOH A 258 -1.201 31.995 9.268 1.00 33.15 O HETATM 2425 O HOH A 259 -21.072 15.428 -0.051 1.00 34.35 O HETATM 2426 O HOH A 260 -15.079 5.705 1.078 1.00 27.53 O HETATM 2427 O HOH A 261 -16.241 20.134 -8.606 1.00 40.22 O HETATM 2428 O HOH A 262 -11.815 2.276 2.269 1.00 32.21 O HETATM 2429 O HOH A 263 5.630 23.908 14.489 1.00 41.55 O HETATM 2430 O HOH A 264 6.882 28.554 8.643 1.00 39.43 O HETATM 2431 O HOH A 265 2.694 12.456 10.107 1.00 32.57 O HETATM 2432 O HOH A 266 -9.572 1.452 -0.743 1.00 43.67 O HETATM 2433 O HOH A 267 1.914 32.949 7.153 1.00 37.82 O HETATM 2434 O HOH A 268 -5.779 4.033 15.685 1.00 35.31 O HETATM 2435 O HOH A 269 10.174 19.827 6.179 1.00 43.32 O HETATM 2436 O HOH A 270 -1.218 4.566 9.072 1.00 37.74 O HETATM 2437 O HOH A 271 4.006 11.228 6.050 1.00 36.81 O HETATM 2438 O HOH A 272 -1.748 25.494 16.060 1.00 45.49 O HETATM 2439 O HOH A 273 -18.235 18.307 8.873 1.00 47.30 O HETATM 2440 O HOH B 188 4.175 -10.997 21.911 1.00 15.69 O HETATM 2441 O HOH B 189 9.324 -15.207 19.434 1.00 17.67 O HETATM 2442 O HOH B 190 12.286 -3.366 1.431 1.00 16.00 O HETATM 2443 O HOH B 191 11.584 -0.526 7.367 1.00 16.91 O HETATM 2444 O HOH B 192 12.771 -30.318 6.240 1.00 19.22 O HETATM 2445 O HOH B 193 9.553 -16.679 0.110 1.00 20.60 O HETATM 2446 O HOH B 194 2.089 -6.302 6.361 1.00 19.86 O HETATM 2447 O HOH B 195 -6.836 -21.058 18.708 1.00 20.87 O HETATM 2448 O HOH B 196 13.658 -20.522 2.763 1.00 20.42 O HETATM 2449 O HOH B 197 11.372 -4.185 -7.445 1.00 21.23 O HETATM 2450 O HOH B 198 17.203 -2.040 6.282 1.00 20.98 O HETATM 2451 O HOH B 199 3.856 -1.723 0.570 1.00 20.99 O HETATM 2452 O HOH B 200 6.200 -6.149 -7.833 1.00 22.56 O HETATM 2453 O HOH B 201 11.268 0.334 0.814 1.00 26.26 O HETATM 2454 O HOH B 202 8.103 -24.319 -2.987 1.00 22.45 O HETATM 2455 O HOH B 203 3.935 -30.537 0.031 1.00 23.65 O HETATM 2456 O HOH B 204 14.338 -30.699 8.514 1.00 21.90 O HETATM 2457 O HOH B 205 3.917 -28.396 -1.721 1.00 21.19 O HETATM 2458 O HOH B 206 8.688 -32.093 0.668 1.00 23.85 O HETATM 2459 O HOH B 207 -0.288 -16.076 15.635 1.00 25.72 O HETATM 2460 O HOH B 208 10.737 -12.827 19.382 1.00 23.73 O HETATM 2461 O HOH B 209 -0.038 -8.090 5.565 1.00 27.25 O HETATM 2462 O HOH B 210 21.241 -17.281 3.730 1.00 24.99 O HETATM 2463 O HOH B 211 16.910 -3.120 13.183 1.00 30.71 O HETATM 2464 O HOH B 212 10.621 1.688 5.870 1.00 28.95 O HETATM 2465 O HOH B 213 15.545 -23.926 -3.812 1.00 27.11 O HETATM 2466 O HOH B 214 3.407 -22.418 -5.976 1.00 29.65 O HETATM 2467 O HOH B 215 7.560 -30.516 13.334 1.00 27.86 O HETATM 2468 O HOH B 216 12.901 -0.429 20.506 1.00 29.36 O HETATM 2469 O HOH B 217 17.072 -20.626 -3.529 1.00 33.27 O HETATM 2470 O HOH B 218 2.985 0.303 2.503 1.00 23.20 O HETATM 2471 O HOH B 219 5.678 -28.336 -3.900 1.00 29.19 O HETATM 2472 O HOH B 220 17.556 -6.009 -3.027 1.00 24.79 O HETATM 2473 O HOH B 221 13.901 0.621 8.393 1.00 25.27 O HETATM 2474 O HOH B 222 9.598 -4.000 -9.336 1.00 28.44 O HETATM 2475 O HOH B 223 13.001 -12.039 20.693 1.00 33.15 O HETATM 2476 O HOH B 224 16.447 -0.416 8.450 1.00 28.84 O HETATM 2477 O HOH B 225 11.112 -12.992 -11.673 1.00 36.43 O HETATM 2478 O HOH B 226 1.565 4.644 11.014 1.00 35.77 O HETATM 2479 O HOH B 227 5.200 -8.652 -8.341 1.00 32.68 O HETATM 2480 O HOH B 228 7.827 -1.602 -9.244 1.00 42.20 O HETATM 2481 O HOH B 229 0.350 1.621 19.136 1.00 41.27 O HETATM 2482 O HOH B 230 6.878 -4.188 18.018 1.00 27.27 O HETATM 2483 O HOH B 231 7.764 -26.589 -4.166 1.00 30.31 O HETATM 2484 O HOH B 232 -5.494 -20.035 12.132 1.00 28.25 O HETATM 2485 O HOH B 233 0.087 -23.745 19.988 1.00 30.83 O HETATM 2486 O HOH B 234 0.111 -3.557 11.000 1.00 29.34 O HETATM 2487 O HOH B 235 9.876 -6.048 22.960 1.00 35.73 O HETATM 2488 O HOH B 236 17.175 -0.852 -1.531 1.00 30.22 O HETATM 2489 O HOH B 237 1.007 -28.044 -1.710 1.00 28.99 O HETATM 2490 O HOH B 238 -2.298 -12.885 18.070 1.00 31.52 O HETATM 2491 O HOH B 239 8.643 -6.301 -8.718 1.00 34.04 O HETATM 2492 O HOH B 240 19.824 -8.599 19.195 1.00 33.27 O HETATM 2493 O HOH B 241 5.527 -3.940 -9.519 1.00 29.09 O HETATM 2494 O HOH B 242 13.069 0.454 11.190 1.00 30.86 O HETATM 2495 O HOH B 243 12.223 -24.562 20.849 1.00 28.49 O HETATM 2496 O HOH B 244 23.074 -4.785 10.090 1.00 30.52 O HETATM 2497 O HOH B 245 7.486 5.133 11.129 1.00 36.35 O HETATM 2498 O HOH B 246 20.165 -14.591 -3.826 1.00 38.53 O HETATM 2499 O HOH B 247 -0.416 -4.025 4.075 1.00 36.12 O HETATM 2500 O HOH B 248 6.788 -10.519 -9.124 1.00 35.96 O HETATM 2501 O HOH B 249 4.755 0.903 4.776 1.00 27.25 O HETATM 2502 O HOH B 250 16.697 -1.925 10.906 1.00 38.90 O HETATM 2503 O HOH B 251 1.382 -11.423 16.031 1.00 34.48 O HETATM 2504 O HOH B 252 3.955 -32.262 7.035 1.00 35.95 O HETATM 2505 O HOH B 253 23.901 -10.039 13.819 1.00 35.41 O HETATM 2506 O HOH B 254 10.998 -29.926 10.315 1.00 28.49 O HETATM 2507 O HOH B 255 4.851 -3.734 17.030 1.00 36.41 O HETATM 2508 O HOH B 256 0.196 -31.921 12.464 1.00 39.50 O HETATM 2509 O HOH B 257 24.829 -16.706 4.125 1.00 34.07 O HETATM 2510 O HOH B 258 8.412 4.919 5.531 1.00 37.83 O HETATM 2511 O HOH B 259 5.122 -31.877 12.437 1.00 31.79 O HETATM 2512 O HOH B 260 0.767 -23.094 -5.630 1.00 34.51 O HETATM 2513 O HOH B 261 1.213 -0.823 18.119 1.00 51.13 O HETATM 2514 O HOH B 262 21.016 -11.450 -0.813 1.00 41.81 O HETATM 2515 O HOH B 263 3.730 5.162 2.574 1.00 33.06 O HETATM 2516 O HOH B 264 16.048 -3.979 18.564 1.00 37.01 O HETATM 2517 O HOH B 265 17.821 -5.502 21.600 1.00 42.79 O HETATM 2518 O HOH B 266 25.002 -6.572 10.692 1.00 39.87 O HETATM 2519 O HOH B 267 4.565 3.455 5.295 1.00 33.49 O HETATM 2520 O HOH B 268 0.243 2.649 10.648 1.00 42.87 O HETATM 2521 O HOH B 269 18.479 -9.124 -2.677 1.00 45.43 O HETATM 2522 O HOH B 270 10.128 -27.807 -4.327 1.00 36.68 O HETATM 2523 O HOH B 271 -0.730 -28.250 13.734 1.00 37.93 O HETATM 2524 O HOH B 272 9.740 -31.639 12.236 1.00 36.28 O CONECT 313 341 CONECT 341 313 CONECT 393 403 CONECT 403 393 404 CONECT 404 403 405 407 CONECT 405 404 406 414 CONECT 406 405 CONECT 407 404 408 409 CONECT 408 407 410 CONECT 409 407 411 CONECT 410 408 412 CONECT 411 409 413 CONECT 412 410 CONECT 413 411 CONECT 414 405 CONECT 644 653 CONECT 653 644 654 CONECT 654 653 655 657 CONECT 655 654 656 661 CONECT 656 655 CONECT 657 654 658 CONECT 658 657 659 CONECT 659 658 660 CONECT 660 659 CONECT 661 655 CONECT 1027 1032 CONECT 1032 1027 1033 CONECT 1033 1032 1034 1036 CONECT 1034 1033 1035 1043 CONECT 1035 1034 CONECT 1036 1033 1037 1038 CONECT 1037 1036 1039 CONECT 1038 1036 1040 CONECT 1039 1037 1041 CONECT 1040 1038 1042 CONECT 1041 1039 CONECT 1042 1040 CONECT 1043 1034 CONECT 1061 1067 CONECT 1067 1061 1068 CONECT 1068 1067 1069 1071 CONECT 1069 1068 1070 1075 CONECT 1070 1069 CONECT 1071 1068 1072 CONECT 1072 1071 1073 CONECT 1073 1072 1074 CONECT 1074 1073 CONECT 1075 1069 CONECT 1103 1113 CONECT 1113 1103 1114 CONECT 1114 1113 1115 1117 CONECT 1115 1114 1116 1124 CONECT 1116 1115 CONECT 1117 1114 1118 1119 CONECT 1118 1117 1120 CONECT 1119 1117 1121 CONECT 1120 1118 1122 CONECT 1121 1119 1123 CONECT 1122 1120 CONECT 1123 1121 CONECT 1124 1115 CONECT 1474 1497 CONECT 1497 1474 CONECT 1545 1555 CONECT 1555 1545 1556 CONECT 1556 1555 1557 1559 CONECT 1557 1556 1558 1563 CONECT 1558 1557 CONECT 1559 1556 1560 CONECT 1560 1559 1561 CONECT 1561 1560 1562 CONECT 1562 1561 CONECT 1563 1557 CONECT 1808 1817 CONECT 1817 1808 1818 CONECT 1818 1817 1819 1821 CONECT 1819 1818 1820 1825 CONECT 1820 1819 CONECT 1821 1818 1822 CONECT 1822 1821 1823 CONECT 1823 1822 1824 CONECT 1824 1823 CONECT 1825 1819 CONECT 2210 2215 CONECT 2215 2210 2216 CONECT 2216 2215 2217 2219 CONECT 2217 2216 2218 2223 CONECT 2218 2217 CONECT 2219 2216 2220 CONECT 2220 2219 2221 CONECT 2221 2220 2222 CONECT 2222 2221 CONECT 2223 2217 CONECT 2241 2247 CONECT 2247 2241 2248 CONECT 2248 2247 2249 2251 CONECT 2249 2248 2250 2255 CONECT 2250 2249 CONECT 2251 2248 2252 CONECT 2252 2251 2253 CONECT 2253 2252 2254 CONECT 2254 2253 CONECT 2255 2249 CONECT 2287 2297 CONECT 2297 2287 2298 CONECT 2298 2297 2299 2301 CONECT 2299 2298 2300 2305 CONECT 2300 2299 CONECT 2301 2298 2302 CONECT 2302 2301 2303 CONECT 2303 2302 2304 CONECT 2304 2303 CONECT 2305 2299 END