USER MOD reduce.3.24.130724 H: found=0, std=0, add=1645, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 01-MAR-17 5NBA TITLE COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (2S,4R)-4-FLUORO- TITLE 2 PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-[(1-CARBAMOYL-1H-INDOL-3-YL)- TITLE 3 AMIDE] 2-[(3-TRIFLUOROMETHOXY-PHENYL)-AMIDE] COMPND MOL_ID: 1; COMPND 2 MOLECULE: COMPLEMENT FACTOR D; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ADIPSIN,C3 CONVERTASE ACTIVATOR,PROPERDIN FACTOR D; COMPND 5 EC: 3.4.21.46; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CFD, DF, PFD; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR A.MAC SWEENEY,N.OSTERMANN REVDAT 1 28-JUN-17 5NBA 0 JRNL AUTH E.LORTHIOIS,K.ANDERSON,A.VULPETTI,O.ROGEL,F.CUMIN, JRNL AUTH 2 N.OSTERMANN,S.STEINBACHER,A.MAC SWEENEY,O.DELGADO,S.M.LIAO, JRNL AUTH 3 S.RANDL,S.RUDISSER,S.DUSSAUGE,K.FETTIS,L.KIEFFER, JRNL AUTH 4 A.DE EKERNEZ,L.YANG,C.HARTWIEG,U.A.ARGIKAR,L.R.LABONTE, JRNL AUTH 5 R.NEWTON,V.KANSARA,S.FLOHR,U.HOMMEL,B.JAFFEE,J.MAIBAUM JRNL TITL DISCOVERY OF HIGHLY POTENT AND SELECTIVE SMALL-MOLECULE JRNL TITL 2 REVERSIBLE FACTOR D INHIBITORS DEMONSTRATING ALTERNATIVE JRNL TITL 3 COMPLEMENT PATHWAY INHIBITION IN VIVO. JRNL REF J. MED. CHEM. 2017 JRNL REFN ISSN 1520-4804 JRNL PMID 28621538 JRNL DOI 10.1021/ACS.JMEDCHEM.7B00425 REMARK 2 REMARK 2 RESOLUTION. 1.87 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0158 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.87 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 53.07 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 92.3 REMARK 3 NUMBER OF REFLECTIONS : 14826 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) : 0.177 REMARK 3 R VALUE (WORKING SET) : 0.173 REMARK 3 FREE R VALUE : 0.260 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 781 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) : 1.87 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.92 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1026 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 86.96 REMARK 3 BIN R VALUE (WORKING SET) : 0.2440 REMARK 3 BIN FREE R VALUE SET COUNT : 54 REMARK 3 BIN FREE R VALUE : 0.2920 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1638 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 35 REMARK 3 SOLVENT ATOMS : 122 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.06 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.16000 REMARK 3 B22 (A**2) : -0.07000 REMARK 3 B33 (A**2) : 0.17000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.05000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.167 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.179 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.110 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.710 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.950 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.897 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1756 ; 0.016 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1592 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2416 ; 1.775 ; 1.959 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3692 ; 1.056 ; 2.985 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 237 ; 6.479 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 64 ;35.561 ;23.750 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 257 ;14.898 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 10 ;19.456 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 278 ; 0.423 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2010 ; 0.008 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 330 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): 921 ; 1.407 ; 1.544 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 920 ; 1.397 ; 1.541 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1155 ; 2.074 ; 2.303 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 1156 ; 2.073 ; 2.307 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 835 ; 1.720 ; 1.725 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 836 ; 1.719 ; 1.725 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1258 ; 2.713 ; 2.511 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1862 ; 3.858 ;18.795 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1863 ; 3.857 ;18.791 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 : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 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 RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 5NBA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 01-MAR-17. REMARK 100 THE DEPOSITION ID IS D_1200003819. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-JUN-99 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU FR-E SUPERBRIGHT REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54719 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15609 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.870 REMARK 200 RESOLUTION RANGE LOW (A) : 53.100 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.0 REMARK 200 DATA REDUNDANCY : 3.060 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.87 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.95 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.24 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 23% PEG 3350, 0.1 M HEPES PH 7.5, 50 REMARK 280 MM NACL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 24.86350 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9430 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL 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 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 ASP A 60A REMARK 465 ALA A 60B REMARK 465 ALA A 60C REMARK 465 ASP A 60D REMARK 465 GLY A 60E REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG A 20 CG CD NE CZ NH1 NH2 REMARK 470 GLU A 23 CG CD OE1 OE2 REMARK 470 GLU A 60 CG CD OE1 OE2 REMARK 470 ARG A 121 CG CD NE CZ NH1 NH2 REMARK 470 ARG A 150 NE CZ NH1 NH2 REMARK 470 ARG A 151 NE CZ NH1 NH2 REMARK 470 ARG A 170 CG CD NE CZ NH1 NH2 REMARK 470 ARG A 170A CG CD NE CZ NH1 NH2 REMARK 470 ARG A 187 CG CD NE CZ NH1 NH2 REMARK 470 ARG A 223 NE CZ NH1 NH2 REMARK 470 LYS A 223A CG CD CE NZ 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 HIS A 171 -105.82 -98.48 REMARK 500 ARG A 187 -43.94 67.56 REMARK 500 SER A 195 124.02 -29.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue 8S5 A 301 DBREF 5NBA A 16 243 UNP P00746 CFAD_HUMAN 26 253 SEQADV 5NBA SER A 244 UNP P00746 EXPRESSION TAG SEQADV 5NBA ALA A 245 UNP P00746 EXPRESSION TAG SEQRES 1 A 230 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 230 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 230 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 230 ALA HIS CYS LEU GLU ASP ALA ALA ASP GLY LYS VAL GLN SEQRES 5 A 230 VAL LEU LEU GLY ALA HIS SER LEU SER GLN PRO GLU PRO SEQRES 6 A 230 SER LYS ARG LEU TYR ASP VAL LEU ARG ALA VAL PRO HIS SEQRES 7 A 230 PRO ASP SER GLN PRO ASP THR ILE ASP HIS ASP LEU LEU SEQRES 8 A 230 LEU LEU GLN LEU SER GLU LYS ALA THR LEU GLY PRO ALA SEQRES 9 A 230 VAL ARG PRO LEU PRO TRP GLN ARG VAL ASP ARG ASP VAL SEQRES 10 A 230 ALA PRO GLY THR LEU CYS ASP VAL ALA GLY TRP GLY ILE SEQRES 11 A 230 VAL ASN HIS ALA GLY ARG ARG PRO ASP SER LEU GLN HIS SEQRES 12 A 230 VAL LEU LEU PRO VAL LEU ASP ARG ALA THR CYS ASN ARG SEQRES 13 A 230 ARG THR HIS HIS ASP GLY ALA ILE THR GLU ARG LEU MET SEQRES 14 A 230 CYS ALA GLU SER ASN ARG ARG ASP SER CYS LYS GLY ASP SEQRES 15 A 230 SER GLY GLY PRO LEU VAL CYS GLY GLY VAL LEU GLU GLY SEQRES 16 A 230 VAL VAL THR SER GLY SER ARG VAL CYS GLY ASN ARG LYS SEQRES 17 A 230 LYS PRO GLY ILE TYR THR ARG VAL ALA SER TYR ALA ALA SEQRES 18 A 230 TRP ILE ASP SER VAL LEU ALA SER ALA HET 8S5 A 301 35 HETNAM 8S5 (2~{S},4~{R})-~{N}1-(1-AMINOCARBONYLINDOL-3-YL)-4- HETNAM 2 8S5 FLUORANYL-~{N}2-[3-(TRIFLUOROMETHYLOXY) HETNAM 3 8S5 PHENYL]PYRROLIDINE-1,2-DICARBOXAMIDE FORMUL 2 8S5 C22 H19 F4 N5 O4 FORMUL 3 HOH *122(H2 O) HELIX 1 AA1 ALA A 55 GLU A 60 5 6 HELIX 2 AA2 ASP A 164 ASN A 169 1 6 HELIX 3 AA3 TYR A 234 SER A 244 1 11 SHEET 1 AA1 8 ARG A 20 GLU A 21 0 SHEET 2 AA1 8 GLN A 156 LEU A 163 -1 O HIS A 157 N ARG A 20 SHEET 3 AA1 8 LEU A 180 ALA A 183 -1 O CYS A 182 N LEU A 163 SHEET 4 AA1 8 GLY A 226 ARG A 230 -1 O TYR A 228 N MET A 181 SHEET 5 AA1 8 VAL A 208 VAL A 213 -1 N VAL A 212 O THR A 229 SHEET 6 AA1 8 PRO A 198 CYS A 201 -1 N LEU A 199 O GLY A 211 SHEET 7 AA1 8 LEU A 135 GLY A 140 -1 N ASP A 137 O VAL A 200 SHEET 8 AA1 8 GLN A 156 LEU A 163 -1 O LEU A 160 N CYS A 136 SHEET 1 AA2 7 MET A 30 LEU A 35 0 SHEET 2 AA2 7 ALA A 39 ALA A 48 -1 O CYS A 42 N VAL A 33 SHEET 3 AA2 7 TRP A 51 SER A 54 -1 O LEU A 53 N VAL A 45 SHEET 4 AA2 7 LEU A 104 LEU A 108 -1 O LEU A 104 N SER A 54 SHEET 5 AA2 7 ARG A 81 PRO A 90 -1 N VAL A 89 O LEU A 105 SHEET 6 AA2 7 VAL A 64 LEU A 68 -1 N VAL A 66 O TYR A 83 SHEET 7 AA2 7 MET A 30 LEU A 35 -1 N SER A 32 O LEU A 67 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.02 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.04 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.03 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.05 SITE *** AC1 22 HIS A 40 LEU A 41 CYS A 42 HIS A 57 SITE *** AC1 22 CYS A 58 TRP A 141 GLY A 142 ILE A 143 SITE *** AC1 22 ARG A 151 SER A 190 CYS A 191 LYS A 192 SITE *** AC1 22 GLY A 193 SER A 195 VAL A 213 THR A 214 SITE *** AC1 22 SER A 215 GLY A 216 ARG A 218 CYS A 220 SITE *** AC1 22 HOH A 467 HOH A 473 CRYST1 55.437 49.727 39.026 90.00 106.82 90.00 P 1 21 1 2 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 0.018038 0.000000 0.005452 0.00000 SCALE2 0.000000 0.020110 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026769 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: A 101 HIS : no HD1:sc= 0.988 K(o=3.5,f=-5.6!) USER MOD Set 1.2: A 234 TYR OH : rot 2:sc= 2.53 USER MOD Set 2.1: A 190 SER OG : rot -103:sc= 0.829 USER MOD Set 2.2: A 228 TYR OH : rot 150:sc= 1.69 USER MOD Set 3.1: A 57 HIS : no HD1:sc= 0.406 K(o=0.33,f=-3!) USER MOD Set 3.2: A 215 SER OG : rot -33:sc= -0.0712 USER MOD Set 4.1: A 32 SER OG : rot 71:sc= 1.83 USER MOD Set 4.2: A 34 GLN : amide:sc= 1.78 X(o=5.3,f=5) USER MOD Set 4.3: A 40 HIS : no HD1:sc= 1.64 K(o=5.3,f=-5.1!) USER MOD Single : A 25 HIS : no HD1:sc= 1.63 K(o=1.6,f=-2.4) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.82! C(o=-2.8!,f=-4.3!) USER MOD Single : A 50 GLN : amide:sc= 0.625 K(o=0.63,f=-0.82) USER MOD Single : A 54 SER OG : rot 85:sc= 1.06 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 1.09 K(o=1.1,f=0.59) USER MOD Single : A 71 HIS : no HD1:sc= 1.29 K(o=1.3,f=-4!) USER MOD Single : A 72 SER OG : rot 78:sc= 1.59 USER MOD Single : A 74 SER OG : rot -94:sc= 2.08 USER MOD Single : A 75 GLN : amide:sc= 1.23 K(o=1.2,f=1.9) USER MOD Single : A 79 SER OG : rot 97:sc= 2.3 USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= 1.99 (180deg=1.91) USER MOD Single : A 83 TYR OH : rot -150:sc= 1.39 USER MOD Single : A 91 HIS : no HD1:sc= 1.81 K(o=1.8,f=-8.5!) USER MOD Single : A 94 SER OG A: rot -54:sc= 1.35 USER MOD Single : A 94 SER OG B: rot 90:sc= -0.0107 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -47:sc= 0.887 USER MOD Single : A 107 GLN : amide:sc=-0.00135 K(o=-0.0014,f=-0.65) USER MOD Single : A 109 SER OG A: rot -170:sc= 0 USER MOD Single : A 109 SER OG B: rot -154:sc= 1.36 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 2.39 K(o=2.4,f=-4.3!) USER MOD Single : A 134 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 145 ASN : amide:sc= -0.0452 K(o=-0.045,f=-5.3!) USER MOD Single : A 146 HIS : no HD1:sc= -0.168 K(o=-0.17,f=0.47) USER MOD Single : A 154 SER OG A: rot -97:sc= 0.237 USER MOD Single : A 154 SER OG B: rot -167:sc= 2.3 USER MOD Single : A 156 GLN : amide:sc= 0.0824 X(o=0.082,f=0.43) USER MOD Single : A 157 HIS : no HE2:sc= 0.512 K(o=0.51,f=-2.4!) USER MOD Single : A 167 THR OG1 : rot 122:sc= 0.501 USER MOD Single : A 169 ASN : amide:sc= 1.52 K(o=1.5,f=-5.5!) USER MOD Single : A 170BTHR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 171 HIS : no HE2:sc= -0.0574 K(o=-0.057,f=-0.88) USER MOD Single : A 172 HIS : no HD1:sc= 0.986 K(o=0.99,f=-4.1!) USER MOD Single : A 177 THR OG1 : rot -152:sc= 1.32 USER MOD Single : A 181 MET CE :methyl -178:sc= 0 (180deg=-0.00564) USER MOD Single : A 185 SER OG : rot 109:sc= -0.247 USER MOD Single : A 186 ASN : amide:sc= 0.488 K(o=0.49,f=-1.5) USER MOD Single : A 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 SER OG : rot -22:sc= -1.34 USER MOD Single : A 214 THR OG1 : rot 119:sc= 1.23 USER MOD Single : A 217 SER OG : rot 15:sc= 0.468 USER MOD Single : A 222 ASN : amide:sc= 0.00234 K(o=0.0023,f=-5.3!) USER MOD Single : A 224 LYS NZ :NH3+ 166:sc= 0.92 (180deg=0.801) USER MOD Single : A 229 THR OG1 : rot 102:sc= 2.36 USER MOD Single : A 233 SER OG : rot 79:sc= 1.49 USER MOD Single : A 240 SER OG A: rot 74:sc= 1.11 USER MOD Single : A 240 SER OG B: rot -63:sc= 0.712 USER MOD Single : A 244 SER OG : rot -74:sc= 0.991 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 4.875 1.540 9.535 1.00 14.32 N ATOM 2 CA ILE A 16 4.207 0.218 9.419 1.00 14.87 C ATOM 3 C ILE A 16 2.819 0.348 10.061 1.00 15.99 C ATOM 4 O ILE A 16 2.737 0.684 11.245 1.00 16.16 O ATOM 5 CB ILE A 16 4.983 -0.877 10.170 1.00 14.00 C ATOM 6 CG1 ILE A 16 6.454 -0.986 9.649 1.00 14.98 C ATOM 7 CG2 ILE A 16 4.256 -2.218 10.093 1.00 14.08 C ATOM 8 CD1 ILE A 16 6.622 -1.648 8.274 1.00 14.29 C ATOM 0 HA ILE A 16 4.160 -0.032 8.483 1.00 14.87 H new ATOM 0 HB ILE A 16 5.026 -0.624 11.105 1.00 14.00 H new ATOM 0 HG12 ILE A 16 6.833 -0.094 9.609 1.00 14.98 H new ATOM 0 HG13 ILE A 16 6.974 -1.487 10.297 1.00 14.98 H new ATOM 0 HG21 ILE A 16 4.765 -2.890 10.573 1.00 14.08 H new ATOM 0 HG22 ILE A 16 3.376 -2.133 10.492 1.00 14.08 H new ATOM 0 HG23 ILE A 16 4.165 -2.484 9.165 1.00 14.08 H new ATOM 0 HD11 ILE A 16 7.563 -1.670 8.038 1.00 14.29 H new ATOM 0 HD12 ILE A 16 6.276 -2.554 8.306 1.00 14.29 H new ATOM 0 HD13 ILE A 16 6.134 -1.139 7.608 1.00 14.29 H new ATOM 9 N LEU A 17 1.767 0.124 9.274 1.00 17.50 N ATOM 10 CA LEU A 17 0.384 0.085 9.807 1.00 19.27 C ATOM 11 C LEU A 17 0.084 -1.342 10.172 1.00 18.32 C ATOM 12 O LEU A 17 0.554 -2.259 9.530 1.00 19.57 O ATOM 13 CB LEU A 17 -0.661 0.630 8.831 1.00 21.12 C ATOM 14 CG LEU A 17 -0.487 2.039 8.290 1.00 21.93 C ATOM 15 CD1 LEU A 17 -1.730 2.378 7.496 1.00 23.96 C ATOM 16 CD2 LEU A 17 -0.249 3.086 9.384 1.00 21.05 C ATOM 0 H LEU A 17 1.823 -0.009 8.426 1.00 17.50 H new ATOM 0 HA LEU A 17 0.332 0.667 10.581 1.00 19.27 H new ATOM 0 HB2 LEU A 17 -0.699 0.026 8.073 1.00 21.12 H new ATOM 0 HB3 LEU A 17 -1.525 0.588 9.271 1.00 21.12 H new ATOM 0 HG LEU A 17 0.308 2.060 7.735 1.00 21.93 H new ATOM 0 HD11 LEU A 17 -1.650 3.275 7.136 1.00 23.96 H new ATOM 0 HD12 LEU A 17 -1.831 1.746 6.768 1.00 23.96 H new ATOM 0 HD13 LEU A 17 -2.507 2.331 8.075 1.00 23.96 H new ATOM 0 HD21 LEU A 17 -0.146 3.961 8.978 1.00 21.05 H new ATOM 0 HD22 LEU A 17 -1.006 3.098 9.990 1.00 21.05 H new ATOM 0 HD23 LEU A 17 0.556 2.862 9.877 1.00 21.05 H new ATOM 17 N GLY A 18 -0.651 -1.520 11.267 1.00 19.74 N ATOM 18 CA GLY A 18 -1.054 -2.826 11.712 1.00 19.17 C ATOM 19 C GLY A 18 0.017 -3.786 12.114 1.00 19.66 C ATOM 20 O GLY A 18 -0.224 -4.991 12.058 1.00 18.87 O ATOM 0 H GLY A 18 -0.926 -0.877 11.767 1.00 19.74 H new ATOM 0 HA2 GLY A 18 -1.651 -2.712 12.468 1.00 19.17 H new ATOM 0 HA3 GLY A 18 -1.571 -3.237 11.001 1.00 19.17 H new ATOM 21 N GLY A 19 1.210 -3.306 12.503 1.00 19.97 N ATOM 22 CA GLY A 19 2.299 -4.218 12.895 1.00 20.09 C ATOM 23 C GLY A 19 2.439 -4.437 14.383 1.00 19.76 C ATOM 24 O GLY A 19 1.512 -4.167 15.130 1.00 21.73 O ATOM 0 H GLY A 19 1.406 -2.470 12.546 1.00 19.97 H new ATOM 0 HA2 GLY A 19 2.155 -5.076 12.467 1.00 20.09 H new ATOM 0 HA3 GLY A 19 3.136 -3.868 12.552 1.00 20.09 H new ATOM 25 N ARG A 20 3.617 -4.883 14.822 1.00 19.25 N ATOM 26 CA ARG A 20 3.965 -5.067 16.262 1.00 18.21 C ATOM 27 C ARG A 20 5.417 -4.601 16.490 1.00 16.53 C ATOM 28 O ARG A 20 6.176 -4.536 15.510 1.00 15.26 O ATOM 29 CB ARG A 20 3.790 -6.566 16.622 1.00 17.71 C ATOM 0 H ARG A 20 4.259 -5.095 14.290 1.00 19.25 H new ATOM 0 HA ARG A 20 3.384 -4.540 16.832 1.00 18.21 H new ATOM 30 N GLU A 21 5.820 -4.240 17.725 1.00 16.73 N ATOM 31 CA GLU A 21 7.225 -3.905 18.003 1.00 16.01 C ATOM 32 C GLU A 21 8.126 -5.089 17.664 1.00 15.77 C ATOM 33 O GLU A 21 7.886 -6.204 18.121 1.00 14.25 O ATOM 34 CB GLU A 21 7.466 -3.453 19.461 1.00 16.89 C ATOM 35 CG GLU A 21 8.896 -2.963 19.723 1.00 18.22 C ATOM 36 CD GLU A 21 9.099 -2.262 21.059 1.00 18.15 C ATOM 37 OE1 GLU A 21 8.118 -1.693 21.606 1.00 15.14 O ATOM 38 OE2 GLU A 21 10.258 -2.323 21.563 1.00 19.02 O ATOM 0 H GLU A 21 5.298 -4.185 18.406 1.00 16.73 H new ATOM 0 HA GLU A 21 7.447 -3.149 17.437 1.00 16.01 H new ATOM 0 HB2 GLU A 21 6.843 -2.742 19.678 1.00 16.89 H new ATOM 0 HB3 GLU A 21 7.271 -4.193 20.058 1.00 16.89 H new ATOM 0 HG2 GLU A 21 9.498 -3.722 19.676 1.00 18.22 H new ATOM 0 HG3 GLU A 21 9.151 -2.355 19.012 1.00 18.22 H new ATOM 39 N ALA A 22 9.143 -4.872 16.830 1.00 14.99 N ATOM 40 CA ALA A 22 10.119 -5.914 16.539 1.00 16.26 C ATOM 41 C ALA A 22 10.959 -6.306 17.777 1.00 16.16 C ATOM 42 O ALA A 22 11.125 -5.493 18.703 1.00 15.84 O ATOM 43 CB ALA A 22 11.033 -5.461 15.367 1.00 17.16 C ATOM 0 H ALA A 22 9.283 -4.127 16.424 1.00 14.99 H new ATOM 0 HA ALA A 22 9.631 -6.711 16.279 1.00 16.26 H new ATOM 0 HB1 ALA A 22 11.682 -6.156 15.175 1.00 17.16 H new ATOM 0 HB2 ALA A 22 10.492 -5.298 14.579 1.00 17.16 H new ATOM 0 HB3 ALA A 22 11.497 -4.646 15.615 1.00 17.16 H new ATOM 44 N GLU A 23 11.506 -7.533 17.805 1.00 16.28 N ATOM 45 CA GLU A 23 12.504 -7.905 18.815 1.00 16.69 C ATOM 46 C GLU A 23 13.747 -7.060 18.619 1.00 15.63 C ATOM 47 O GLU A 23 14.267 -6.995 17.497 1.00 15.86 O ATOM 48 CB GLU A 23 12.933 -9.379 18.771 1.00 17.08 C ATOM 0 H GLU A 23 11.311 -8.159 17.249 1.00 16.28 H new ATOM 0 HA GLU A 23 12.078 -7.754 19.673 1.00 16.69 H new ATOM 49 N ALA A 24 14.274 -6.501 19.709 1.00 14.83 N ATOM 50 CA ALA A 24 15.439 -5.649 19.575 1.00 15.17 C ATOM 51 C ALA A 24 16.649 -6.355 18.922 1.00 15.47 C ATOM 52 O ALA A 24 17.074 -7.427 19.337 1.00 15.22 O ATOM 53 CB ALA A 24 15.774 -4.966 20.892 1.00 15.43 C ATOM 0 H ALA A 24 13.978 -6.602 20.510 1.00 14.83 H new ATOM 0 HA ALA A 24 15.205 -4.949 18.945 1.00 15.17 H new ATOM 0 HB1 ALA A 24 16.555 -4.403 20.775 1.00 15.43 H new ATOM 0 HB2 ALA A 24 15.023 -4.421 21.174 1.00 15.43 H new ATOM 0 HB3 ALA A 24 15.958 -5.638 21.567 1.00 15.43 H new ATOM 54 N HIS A 25 17.159 -5.755 17.837 1.00 13.58 N ATOM 55 CA HIS A 25 18.381 -6.159 17.186 1.00 13.27 C ATOM 56 C HIS A 25 18.295 -7.473 16.402 1.00 12.94 C ATOM 57 O HIS A 25 19.327 -8.017 15.980 1.00 12.57 O ATOM 58 CB HIS A 25 19.588 -6.117 18.166 1.00 14.42 C ATOM 59 CG HIS A 25 19.644 -4.850 18.985 1.00 13.84 C ATOM 60 ND1 HIS A 25 19.987 -3.629 18.438 1.00 14.31 N ATOM 61 CD2 HIS A 25 19.281 -4.598 20.269 1.00 14.77 C ATOM 62 CE1 HIS A 25 19.864 -2.690 19.365 1.00 13.97 C ATOM 63 NE2 HIS A 25 19.472 -3.258 20.491 1.00 14.21 N ATOM 0 H HIS A 25 16.781 -5.082 17.459 1.00 13.58 H new ATOM 0 HA HIS A 25 18.535 -5.494 16.497 1.00 13.27 H new ATOM 0 HB2 HIS A 25 19.539 -6.880 18.763 1.00 14.42 H new ATOM 0 HB3 HIS A 25 20.411 -6.205 17.660 1.00 14.42 H new ATOM 0 HD2 HIS A 25 18.962 -5.219 20.884 1.00 14.77 H new ATOM 0 HE1 HIS A 25 20.027 -1.782 19.243 1.00 13.97 H new ATOM 0 HE2 HIS A 25 19.356 -2.854 21.241 1.00 14.21 H new ATOM 64 N ALA A 26 17.083 -7.979 16.195 1.00 12.23 N ATOM 65 CA ALA A 26 16.910 -9.251 15.522 1.00 13.14 C ATOM 66 C ALA A 26 17.040 -9.094 14.015 1.00 13.22 C ATOM 67 O ALA A 26 17.011 -10.078 13.333 1.00 12.65 O ATOM 68 CB ALA A 26 15.541 -9.841 15.817 1.00 14.32 C ATOM 0 H ALA A 26 16.351 -7.598 16.438 1.00 12.23 H new ATOM 0 HA ALA A 26 17.604 -9.842 15.854 1.00 13.14 H new ATOM 0 HB1 ALA A 26 15.448 -10.690 15.357 1.00 14.32 H new ATOM 0 HB2 ALA A 26 15.447 -9.979 16.772 1.00 14.32 H new ATOM 0 HB3 ALA A 26 14.852 -9.231 15.510 1.00 14.32 H new ATOM 69 N ARG A 27 17.041 -7.856 13.524 1.00 11.17 N ATOM 70 CA ARG A 27 17.261 -7.535 12.136 1.00 12.51 C ATOM 71 C ARG A 27 18.516 -6.614 12.020 1.00 12.10 C ATOM 72 O ARG A 27 18.382 -5.387 11.807 1.00 13.22 O ATOM 73 CB ARG A 27 16.018 -6.839 11.570 1.00 11.75 C ATOM 74 CG ARG A 27 14.811 -7.751 11.635 1.00 12.21 C ATOM 75 CD ARG A 27 13.507 -7.056 11.345 1.00 13.04 C ATOM 76 NE ARG A 27 12.353 -7.987 11.403 1.00 13.84 N ATOM 77 CZ ARG A 27 11.834 -8.492 12.526 1.00 15.59 C ATOM 78 NH1 ARG A 27 12.375 -8.239 13.733 1.00 15.20 N ATOM 79 NH2 ARG A 27 10.797 -9.320 12.455 1.00 14.47 N ATOM 0 H ARG A 27 16.908 -7.163 14.015 1.00 11.17 H new ATOM 0 HA ARG A 27 17.418 -8.344 11.624 1.00 12.51 H new ATOM 0 HB2 ARG A 27 15.842 -6.027 12.070 1.00 11.75 H new ATOM 0 HB3 ARG A 27 16.180 -6.576 10.650 1.00 11.75 H new ATOM 0 HG2 ARG A 27 14.929 -8.476 11.001 1.00 12.21 H new ATOM 0 HG3 ARG A 27 14.765 -8.151 12.518 1.00 12.21 H new ATOM 0 HD2 ARG A 27 13.375 -6.339 11.985 1.00 13.04 H new ATOM 0 HD3 ARG A 27 13.548 -6.648 10.466 1.00 13.04 H new ATOM 0 HE ARG A 27 11.991 -8.219 10.658 1.00 13.84 H new ATOM 0 HH11 ARG A 27 13.073 -7.741 13.795 1.00 15.20 H new ATOM 0 HH12 ARG A 27 12.022 -8.576 14.441 1.00 15.20 H new ATOM 0 HH21 ARG A 27 10.464 -9.528 11.690 1.00 14.47 H new ATOM 0 HH22 ARG A 27 10.459 -9.648 13.174 1.00 14.47 H new ATOM 80 N PRO A 28 19.728 -7.205 12.148 1.00 11.79 N ATOM 81 CA PRO A 28 20.958 -6.424 12.243 1.00 11.36 C ATOM 82 C PRO A 28 21.373 -5.641 10.977 1.00 10.58 C ATOM 83 O PRO A 28 22.222 -4.753 11.033 1.00 10.98 O ATOM 84 CB PRO A 28 21.994 -7.475 12.624 1.00 12.28 C ATOM 85 CG PRO A 28 21.466 -8.787 12.081 1.00 12.12 C ATOM 86 CD PRO A 28 19.992 -8.667 12.302 1.00 11.80 C ATOM 0 HA PRO A 28 20.851 -5.702 12.881 1.00 11.36 H new ATOM 0 HB2 PRO A 28 22.861 -7.264 12.243 1.00 12.28 H new ATOM 0 HB3 PRO A 28 22.110 -7.517 13.586 1.00 12.28 H new ATOM 0 HG2 PRO A 28 21.681 -8.901 11.142 1.00 12.12 H new ATOM 0 HG3 PRO A 28 21.840 -9.548 12.552 1.00 12.12 H new ATOM 0 HD2 PRO A 28 19.491 -9.189 11.656 1.00 11.80 H new ATOM 0 HD3 PRO A 28 19.737 -8.984 13.182 1.00 11.80 H new ATOM 87 N TYR A 29 20.727 -5.954 9.873 1.00 10.21 N ATOM 88 CA TYR A 29 20.812 -5.230 8.604 1.00 9.74 C ATOM 89 C TYR A 29 19.978 -3.961 8.557 1.00 9.15 C ATOM 90 O TYR A 29 20.122 -3.162 7.642 1.00 7.62 O ATOM 91 CB TYR A 29 20.357 -6.141 7.449 1.00 9.74 C ATOM 92 CG TYR A 29 19.001 -6.727 7.652 1.00 9.88 C ATOM 93 CD1 TYR A 29 17.858 -6.028 7.314 1.00 10.57 C ATOM 94 CD2 TYR A 29 18.854 -8.056 8.192 1.00 10.86 C ATOM 95 CE1 TYR A 29 16.608 -6.597 7.511 1.00 11.69 C ATOM 96 CE2 TYR A 29 17.616 -8.623 8.362 1.00 11.62 C ATOM 97 CZ TYR A 29 16.513 -7.903 8.046 1.00 12.52 C ATOM 98 OH TYR A 29 15.255 -8.437 8.203 1.00 15.30 O ATOM 0 H TYR A 29 20.196 -6.629 9.832 1.00 10.21 H new ATOM 0 HA TYR A 29 21.743 -4.971 8.515 1.00 9.74 H new ATOM 0 HB2 TYR A 29 20.361 -5.631 6.624 1.00 9.74 H new ATOM 0 HB3 TYR A 29 20.999 -6.860 7.341 1.00 9.74 H new ATOM 0 HD1 TYR A 29 17.927 -5.174 6.953 1.00 10.57 H new ATOM 0 HD2 TYR A 29 19.613 -8.538 8.430 1.00 10.86 H new ATOM 0 HE1 TYR A 29 15.838 -6.123 7.293 1.00 11.69 H new ATOM 0 HE2 TYR A 29 17.535 -9.490 8.690 1.00 11.62 H new ATOM 0 HH TYR A 29 15.317 -9.210 8.525 1.00 15.30 H new ATOM 99 N MET A 30 19.139 -3.723 9.554 1.00 10.29 N ATOM 100 CA MET A 30 18.170 -2.612 9.438 1.00 10.50 C ATOM 101 C MET A 30 18.888 -1.272 9.689 1.00 10.01 C ATOM 102 O MET A 30 19.557 -1.147 10.706 1.00 10.14 O ATOM 103 CB MET A 30 17.000 -2.834 10.440 1.00 12.56 C ATOM 104 CG MET A 30 15.875 -1.853 10.273 1.00 14.34 C ATOM 105 SD MET A 30 14.960 -2.174 8.746 1.00 14.95 S ATOM 106 CE MET A 30 14.353 -0.557 8.503 1.00 15.65 C ATOM 0 H MET A 30 19.104 -4.170 10.288 1.00 10.29 H new ATOM 0 HA MET A 30 17.796 -2.587 8.543 1.00 10.50 H new ATOM 0 HB2 MET A 30 16.655 -3.734 10.329 1.00 12.56 H new ATOM 0 HB3 MET A 30 17.343 -2.772 11.345 1.00 12.56 H new ATOM 0 HG2 MET A 30 15.275 -1.911 11.033 1.00 14.34 H new ATOM 0 HG3 MET A 30 16.228 -0.950 10.259 1.00 14.34 H new ATOM 0 HE1 MET A 30 13.815 -0.531 7.696 1.00 15.65 H new ATOM 0 HE2 MET A 30 13.808 -0.298 9.263 1.00 15.65 H new ATOM 0 HE3 MET A 30 15.098 0.059 8.415 1.00 15.65 H new ATOM 107 N ALA A 31 18.682 -0.309 8.794 1.00 8.86 N ATOM 108 CA ALA A 31 19.225 1.068 8.894 1.00 8.96 C ATOM 109 C ALA A 31 18.112 2.097 9.005 1.00 8.80 C ATOM 110 O ALA A 31 17.044 1.938 8.336 1.00 8.17 O ATOM 111 CB ALA A 31 20.055 1.351 7.647 1.00 9.05 C ATOM 0 H ALA A 31 18.209 -0.432 8.086 1.00 8.86 H new ATOM 0 HA ALA A 31 19.770 1.132 9.694 1.00 8.96 H new ATOM 0 HB1 ALA A 31 20.418 2.249 7.697 1.00 9.05 H new ATOM 0 HB2 ALA A 31 20.782 0.712 7.590 1.00 9.05 H new ATOM 0 HB3 ALA A 31 19.494 1.273 6.860 1.00 9.05 H new ATOM 112 N SER A 32 18.352 3.168 9.791 1.00 8.93 N ATOM 113 CA SER A 32 17.514 4.380 9.659 1.00 8.90 C ATOM 114 C SER A 32 18.331 5.462 8.918 1.00 9.24 C ATOM 115 O SER A 32 19.401 5.876 9.409 1.00 8.92 O ATOM 116 CB SER A 32 17.030 4.879 11.025 1.00 9.43 C ATOM 117 OG SER A 32 16.568 6.259 10.994 1.00 8.65 O ATOM 0 H SER A 32 18.972 3.213 10.385 1.00 8.93 H new ATOM 0 HA SER A 32 16.718 4.169 9.147 1.00 8.90 H new ATOM 0 HB2 SER A 32 16.309 4.309 11.336 1.00 9.43 H new ATOM 0 HB3 SER A 32 17.752 4.799 11.668 1.00 9.43 H new ATOM 0 HG SER A 32 15.838 6.301 10.581 1.00 8.65 H new ATOM 118 N VAL A 33 17.836 5.880 7.747 1.00 9.17 N ATOM 119 CA VAL A 33 18.423 6.930 6.912 1.00 9.58 C ATOM 120 C VAL A 33 17.854 8.277 7.389 1.00 10.17 C ATOM 121 O VAL A 33 16.618 8.487 7.443 1.00 9.37 O ATOM 122 CB VAL A 33 18.112 6.709 5.397 1.00 9.73 C ATOM 123 CG1 VAL A 33 18.710 7.827 4.527 1.00 10.84 C ATOM 124 CG2 VAL A 33 18.641 5.362 4.934 1.00 9.61 C ATOM 0 H VAL A 33 17.121 5.545 7.406 1.00 9.17 H new ATOM 0 HA VAL A 33 19.389 6.913 7.001 1.00 9.58 H new ATOM 0 HB VAL A 33 17.148 6.728 5.295 1.00 9.73 H new ATOM 0 HG11 VAL A 33 18.499 7.660 3.595 1.00 10.84 H new ATOM 0 HG12 VAL A 33 18.336 8.681 4.795 1.00 10.84 H new ATOM 0 HG13 VAL A 33 19.673 7.847 4.642 1.00 10.84 H new ATOM 0 HG21 VAL A 33 18.440 5.241 3.993 1.00 9.61 H new ATOM 0 HG22 VAL A 33 19.601 5.329 5.066 1.00 9.61 H new ATOM 0 HG23 VAL A 33 18.220 4.655 5.448 1.00 9.61 H new ATOM 125 N GLN A 34 18.750 9.161 7.817 1.00 11.30 N ATOM 126 CA GLN A 34 18.344 10.358 8.585 1.00 12.92 C ATOM 127 C GLN A 34 18.791 11.635 7.893 1.00 15.37 C ATOM 128 O GLN A 34 19.840 11.655 7.204 1.00 15.34 O ATOM 129 CB GLN A 34 18.874 10.290 10.022 1.00 13.07 C ATOM 130 CG GLN A 34 18.527 8.961 10.706 1.00 12.92 C ATOM 131 CD GLN A 34 18.659 8.932 12.196 1.00 14.29 C ATOM 132 OE1 GLN A 34 19.465 9.679 12.771 1.00 14.76 O ATOM 133 NE2 GLN A 34 17.831 8.060 12.867 1.00 14.09 N ATOM 0 H GLN A 34 19.596 9.095 7.679 1.00 11.30 H new ATOM 0 HA GLN A 34 17.375 10.372 8.625 1.00 12.92 H new ATOM 0 HB2 GLN A 34 19.837 10.407 10.016 1.00 13.07 H new ATOM 0 HB3 GLN A 34 18.503 11.023 10.537 1.00 13.07 H new ATOM 0 HG2 GLN A 34 17.614 8.729 10.476 1.00 12.92 H new ATOM 0 HG3 GLN A 34 19.097 8.269 10.336 1.00 12.92 H new ATOM 0 HE21 GLN A 34 17.287 7.560 12.428 1.00 14.09 H new ATOM 0 HE22 GLN A 34 17.858 8.016 13.725 1.00 14.09 H new ATOM 134 N LEU A 35 18.000 12.683 8.075 1.00 18.01 N ATOM 135 CA LEU A 35 18.347 14.053 7.616 1.00 19.74 C ATOM 136 C LEU A 35 18.330 14.912 8.868 1.00 22.52 C ATOM 137 O LEU A 35 17.271 15.026 9.531 1.00 19.60 O ATOM 138 CB LEU A 35 17.327 14.576 6.618 1.00 23.17 C ATOM 139 CG LEU A 35 17.627 15.918 5.931 1.00 27.23 C ATOM 140 CD1 LEU A 35 18.817 15.723 4.986 1.00 29.72 C ATOM 141 CD2 LEU A 35 16.422 16.461 5.182 1.00 28.26 C ATOM 0 H LEU A 35 17.238 12.634 8.470 1.00 18.01 H new ATOM 0 HA LEU A 35 19.207 14.064 7.168 1.00 19.74 H new ATOM 0 HB2 LEU A 35 17.214 13.905 5.927 1.00 23.17 H new ATOM 0 HB3 LEU A 35 16.476 14.658 7.076 1.00 23.17 H new ATOM 0 HG LEU A 35 17.844 16.576 6.610 1.00 27.23 H new ATOM 0 HD11 LEU A 35 19.020 16.562 4.543 1.00 29.72 H new ATOM 0 HD12 LEU A 35 19.590 15.431 5.494 1.00 29.72 H new ATOM 0 HD13 LEU A 35 18.596 15.052 4.321 1.00 29.72 H new ATOM 0 HD21 LEU A 35 16.654 17.306 4.765 1.00 28.26 H new ATOM 0 HD22 LEU A 35 16.152 15.827 4.499 1.00 28.26 H new ATOM 0 HD23 LEU A 35 15.689 16.598 5.803 1.00 28.26 H new ATOM 142 N ASN A 36 19.503 15.449 9.222 1.00 23.43 N ATOM 143 CA ASN A 36 19.670 16.279 10.411 1.00 27.61 C ATOM 144 C ASN A 36 19.236 15.539 11.701 1.00 27.12 C ATOM 145 O ASN A 36 18.474 16.048 12.504 1.00 27.96 O ATOM 146 CB ASN A 36 18.910 17.602 10.195 1.00 28.51 C ATOM 147 CG ASN A 36 19.415 18.372 8.967 1.00 31.76 C ATOM 148 OD1 ASN A 36 20.625 18.586 8.804 1.00 34.84 O ATOM 149 ND2 ASN A 36 18.501 18.778 8.096 1.00 34.17 N ATOM 0 H ASN A 36 20.227 15.338 8.772 1.00 23.43 H new ATOM 0 HA ASN A 36 20.611 16.478 10.540 1.00 27.61 H new ATOM 0 HB2 ASN A 36 17.964 17.415 10.090 1.00 28.51 H new ATOM 0 HB3 ASN A 36 19.004 18.159 10.984 1.00 28.51 H new ATOM 0 HD21 ASN A 36 18.740 19.205 7.389 1.00 34.17 H new ATOM 0 HD22 ASN A 36 17.669 18.614 8.238 1.00 34.17 H new ATOM 150 N GLY A 38 19.706 14.311 11.855 1.00 24.73 N ATOM 151 CA GLY A 38 19.334 13.462 12.980 1.00 21.83 C ATOM 152 C GLY A 38 17.867 13.120 13.144 1.00 21.30 C ATOM 153 O GLY A 38 17.473 12.722 14.244 1.00 23.38 O ATOM 0 H GLY A 38 20.255 13.942 11.306 1.00 24.73 H new ATOM 0 HA2 GLY A 38 19.828 12.631 12.904 1.00 21.83 H new ATOM 0 HA3 GLY A 38 19.633 13.896 13.794 1.00 21.83 H new ATOM 154 N ALA A 39 17.047 13.255 12.093 1.00 18.49 N ATOM 155 CA ALA A 39 15.625 12.794 12.125 1.00 16.78 C ATOM 156 C ALA A 39 15.417 11.713 11.051 1.00 15.48 C ATOM 157 O ALA A 39 15.872 11.851 9.914 1.00 12.84 O ATOM 158 CB ALA A 39 14.654 13.939 11.893 1.00 17.98 C ATOM 0 H ALA A 39 17.284 13.610 11.346 1.00 18.49 H new ATOM 0 HA ALA A 39 15.447 12.431 13.007 1.00 16.78 H new ATOM 0 HB1 ALA A 39 13.745 13.603 11.921 1.00 17.98 H new ATOM 0 HB2 ALA A 39 14.772 14.609 12.585 1.00 17.98 H new ATOM 0 HB3 ALA A 39 14.825 14.338 11.025 1.00 17.98 H new ATOM 159 N HIS A 40 14.671 10.685 11.445 1.00 13.61 N ATOM 160 CA HIS A 40 14.400 9.546 10.635 1.00 13.27 C ATOM 161 C HIS A 40 13.611 9.998 9.430 1.00 13.75 C ATOM 162 O HIS A 40 12.609 10.704 9.568 1.00 11.81 O ATOM 163 CB HIS A 40 13.604 8.468 11.394 1.00 11.90 C ATOM 164 CG HIS A 40 13.162 7.344 10.494 1.00 10.52 C ATOM 165 ND1 HIS A 40 13.964 6.266 10.179 1.00 9.64 N ATOM 166 CD2 HIS A 40 12.019 7.191 9.772 1.00 10.67 C ATOM 167 CE1 HIS A 40 13.325 5.475 9.334 1.00 9.58 C ATOM 168 NE2 HIS A 40 12.151 6.031 9.034 1.00 9.50 N ATOM 0 H HIS A 40 14.304 10.646 12.222 1.00 13.61 H new ATOM 0 HA HIS A 40 15.245 9.148 10.373 1.00 13.27 H new ATOM 0 HB2 HIS A 40 14.151 8.110 12.111 1.00 11.90 H new ATOM 0 HB3 HIS A 40 12.826 8.874 11.807 1.00 11.90 H new ATOM 0 HD2 HIS A 40 11.285 7.762 9.775 1.00 10.67 H new ATOM 0 HE1 HIS A 40 13.642 4.665 9.004 1.00 9.58 H new ATOM 0 HE2 HIS A 40 11.575 5.721 8.476 1.00 9.50 H new ATOM 169 N LEU A 41 14.056 9.546 8.264 1.00 13.85 N ATOM 170 CA LEU A 41 13.395 9.871 7.004 1.00 14.87 C ATOM 171 C LEU A 41 12.963 8.617 6.176 1.00 13.08 C ATOM 172 O LEU A 41 11.841 8.555 5.659 1.00 13.55 O ATOM 173 CB LEU A 41 14.304 10.800 6.244 1.00 17.45 C ATOM 174 CG LEU A 41 13.778 11.457 4.995 1.00 22.39 C ATOM 175 CD1 LEU A 41 12.820 12.574 5.403 1.00 23.92 C ATOM 176 CD2 LEU A 41 14.949 12.017 4.207 1.00 26.12 C ATOM 0 H LEU A 41 14.748 9.043 8.180 1.00 13.85 H new ATOM 0 HA LEU A 41 12.551 10.312 7.189 1.00 14.87 H new ATOM 0 HB2 LEU A 41 14.583 11.503 6.852 1.00 17.45 H new ATOM 0 HB3 LEU A 41 15.100 10.301 6.002 1.00 17.45 H new ATOM 0 HG LEU A 41 13.304 10.818 4.440 1.00 22.39 H new ATOM 0 HD11 LEU A 41 12.472 13.008 4.609 1.00 23.92 H new ATOM 0 HD12 LEU A 41 12.086 12.200 5.915 1.00 23.92 H new ATOM 0 HD13 LEU A 41 13.293 13.224 5.945 1.00 23.92 H new ATOM 0 HD21 LEU A 41 14.622 12.443 3.399 1.00 26.12 H new ATOM 0 HD22 LEU A 41 15.421 12.670 4.748 1.00 26.12 H new ATOM 0 HD23 LEU A 41 15.554 11.297 3.970 1.00 26.12 H new ATOM 177 N CYS A 42 13.795 7.595 6.170 1.00 11.46 N ATOM 178 CA CYS A 42 13.607 6.413 5.379 1.00 10.77 C ATOM 179 C CYS A 42 14.247 5.239 6.085 1.00 9.97 C ATOM 180 O CYS A 42 15.174 5.422 6.922 1.00 9.26 O ATOM 181 CB CYS A 42 14.272 6.620 4.015 1.00 10.59 C ATOM 182 SG CYS A 42 13.283 7.594 2.798 1.00 12.11 S ATOM 0 H CYS A 42 14.511 7.575 6.647 1.00 11.46 H new ATOM 0 HA CYS A 42 12.661 6.238 5.257 1.00 10.77 H new ATOM 0 HB2 CYS A 42 15.122 7.067 4.150 1.00 10.59 H new ATOM 0 HB3 CYS A 42 14.466 5.751 3.631 1.00 10.59 H new ATOM 183 N GLY A 43 13.746 4.044 5.744 1.00 8.80 N ATOM 184 CA GLY A 43 14.420 2.786 6.046 1.00 8.85 C ATOM 185 C GLY A 43 15.612 2.616 5.122 1.00 8.64 C ATOM 186 O GLY A 43 15.793 3.366 4.151 1.00 8.56 O ATOM 0 H GLY A 43 13.000 3.947 5.328 1.00 8.80 H new ATOM 0 HA2 GLY A 43 14.712 2.778 6.971 1.00 8.85 H new ATOM 0 HA3 GLY A 43 13.805 2.044 5.936 1.00 8.85 H new ATOM 187 N GLY A 44 16.496 1.708 5.509 1.00 8.78 N ATOM 188 CA GLY A 44 17.590 1.279 4.662 1.00 8.58 C ATOM 189 C GLY A 44 18.024 -0.106 5.063 1.00 8.65 C ATOM 190 O GLY A 44 17.569 -0.579 6.089 1.00 8.20 O ATOM 0 H GLY A 44 16.475 1.322 6.277 1.00 8.78 H new ATOM 0 HA2 GLY A 44 17.313 1.285 3.732 1.00 8.58 H new ATOM 0 HA3 GLY A 44 18.334 1.897 4.741 1.00 8.58 H new ATOM 191 N VAL A 45 18.890 -0.721 4.240 1.00 8.74 N ATOM 192 CA VAL A 45 19.379 -2.050 4.414 1.00 9.42 C ATOM 193 C VAL A 45 20.872 -2.118 4.170 1.00 8.64 C ATOM 194 O VAL A 45 21.304 -1.761 3.114 1.00 8.63 O ATOM 195 CB VAL A 45 18.773 -3.061 3.387 1.00 10.22 C ATOM 196 CG1 VAL A 45 19.004 -4.462 3.929 1.00 11.01 C ATOM 197 CG2 VAL A 45 17.325 -2.813 3.167 1.00 11.27 C ATOM 0 H VAL A 45 19.209 -0.337 3.540 1.00 8.74 H new ATOM 0 HA VAL A 45 19.132 -2.282 5.323 1.00 9.42 H new ATOM 0 HB VAL A 45 19.206 -2.953 2.526 1.00 10.22 H new ATOM 0 HG11 VAL A 45 18.637 -5.113 3.311 1.00 11.01 H new ATOM 0 HG12 VAL A 45 19.956 -4.616 4.033 1.00 11.01 H new ATOM 0 HG13 VAL A 45 18.566 -4.552 4.790 1.00 11.01 H new ATOM 0 HG21 VAL A 45 16.980 -3.455 2.527 1.00 11.27 H new ATOM 0 HG22 VAL A 45 16.849 -2.907 4.007 1.00 11.27 H new ATOM 0 HG23 VAL A 45 17.199 -1.915 2.823 1.00 11.27 H new ATOM 198 N LEU A 46 21.629 -2.530 5.185 1.00 8.72 N ATOM 199 CA LEU A 46 23.055 -2.730 5.042 1.00 8.88 C ATOM 200 C LEU A 46 23.275 -3.938 4.136 1.00 8.63 C ATOM 201 O LEU A 46 22.804 -5.061 4.421 1.00 7.74 O ATOM 202 CB LEU A 46 23.719 -2.940 6.379 1.00 9.55 C ATOM 203 CG LEU A 46 25.267 -2.974 6.331 1.00 10.15 C ATOM 204 CD1 LEU A 46 25.853 -1.611 6.047 1.00 10.33 C ATOM 205 CD2 LEU A 46 25.733 -3.461 7.679 1.00 10.29 C ATOM 0 H LEU A 46 21.325 -2.699 5.971 1.00 8.72 H new ATOM 0 HA LEU A 46 23.455 -1.938 4.650 1.00 8.88 H new ATOM 0 HB2 LEU A 46 23.441 -2.231 6.980 1.00 9.55 H new ATOM 0 HB3 LEU A 46 23.400 -3.774 6.758 1.00 9.55 H new ATOM 0 HG LEU A 46 25.561 -3.558 5.614 1.00 10.15 H new ATOM 0 HD11 LEU A 46 26.821 -1.673 6.025 1.00 10.33 H new ATOM 0 HD12 LEU A 46 25.530 -1.292 5.190 1.00 10.33 H new ATOM 0 HD13 LEU A 46 25.585 -0.992 6.744 1.00 10.33 H new ATOM 0 HD21 LEU A 46 26.702 -3.498 7.693 1.00 10.29 H new ATOM 0 HD22 LEU A 46 25.423 -2.853 8.368 1.00 10.29 H new ATOM 0 HD23 LEU A 46 25.374 -4.347 7.845 1.00 10.29 H new ATOM 206 N VAL A 47 23.954 -3.680 3.040 1.00 8.72 N ATOM 207 CA VAL A 47 24.197 -4.716 1.992 1.00 10.25 C ATOM 208 C VAL A 47 25.647 -5.025 1.734 1.00 11.32 C ATOM 209 O VAL A 47 25.949 -6.010 1.034 1.00 11.73 O ATOM 210 CB VAL A 47 23.490 -4.448 0.625 1.00 10.26 C ATOM 211 CG1 VAL A 47 21.982 -4.421 0.787 1.00 10.62 C ATOM 212 CG2 VAL A 47 23.950 -3.201 -0.077 1.00 9.71 C ATOM 0 H VAL A 47 24.295 -2.911 2.861 1.00 8.72 H new ATOM 0 HA VAL A 47 23.786 -5.495 2.399 1.00 10.25 H new ATOM 0 HB VAL A 47 23.749 -5.192 0.059 1.00 10.26 H new ATOM 0 HG11 VAL A 47 21.567 -4.253 -0.074 1.00 10.62 H new ATOM 0 HG12 VAL A 47 21.678 -5.275 1.131 1.00 10.62 H new ATOM 0 HG13 VAL A 47 21.736 -3.717 1.407 1.00 10.62 H new ATOM 0 HG21 VAL A 47 23.468 -3.104 -0.913 1.00 9.71 H new ATOM 0 HG22 VAL A 47 23.778 -2.430 0.486 1.00 9.71 H new ATOM 0 HG23 VAL A 47 24.901 -3.263 -0.258 1.00 9.71 H new ATOM 213 N ALA A 48 26.545 -4.179 2.238 1.00 11.91 N ATOM 214 CA ALA A 48 27.997 -4.441 2.199 1.00 12.88 C ATOM 215 C ALA A 48 28.543 -3.725 3.431 1.00 13.82 C ATOM 216 O ALA A 48 27.825 -2.947 4.080 1.00 12.72 O ATOM 217 CB ALA A 48 28.607 -3.835 0.944 1.00 11.96 C ATOM 0 H ALA A 48 26.335 -3.434 2.614 1.00 11.91 H new ATOM 0 HA ALA A 48 28.201 -5.389 2.191 1.00 12.88 H new ATOM 0 HB1 ALA A 48 29.560 -4.013 0.929 1.00 11.96 H new ATOM 0 HB2 ALA A 48 28.193 -4.228 0.160 1.00 11.96 H new ATOM 0 HB3 ALA A 48 28.458 -2.877 0.942 1.00 11.96 H new ATOM 218 N GLU A 49 29.810 -3.937 3.724 1.00 15.44 N ATOM 219 CA GLU A 49 30.411 -3.351 4.896 1.00 17.51 C ATOM 220 C GLU A 49 30.304 -1.837 4.903 1.00 15.27 C ATOM 221 O GLU A 49 30.154 -1.270 5.942 1.00 18.23 O ATOM 222 CB GLU A 49 31.879 -3.773 5.015 1.00 21.52 C ATOM 223 CG GLU A 49 32.034 -5.246 5.396 1.00 26.29 C ATOM 224 CD GLU A 49 33.376 -5.563 6.028 1.00 30.23 C ATOM 225 OE1 GLU A 49 34.268 -4.678 6.077 1.00 29.21 O ATOM 226 OE2 GLU A 49 33.500 -6.721 6.470 1.00 37.61 O ATOM 0 H GLU A 49 30.341 -4.421 3.252 1.00 15.44 H new ATOM 0 HA GLU A 49 29.917 -3.682 5.662 1.00 17.51 H new ATOM 0 HB2 GLU A 49 32.329 -3.611 4.171 1.00 21.52 H new ATOM 0 HB3 GLU A 49 32.318 -3.221 5.681 1.00 21.52 H new ATOM 0 HG2 GLU A 49 31.327 -5.490 6.013 1.00 26.29 H new ATOM 0 HG3 GLU A 49 31.920 -5.793 4.603 1.00 26.29 H new ATOM 227 N GLN A 50 30.354 -1.189 3.747 1.00 16.69 N ATOM 228 CA GLN A 50 30.334 0.274 3.680 1.00 13.85 C ATOM 229 C GLN A 50 29.155 0.877 2.915 1.00 13.14 C ATOM 230 O GLN A 50 29.154 2.076 2.601 1.00 11.51 O ATOM 231 CB GLN A 50 31.668 0.776 3.089 1.00 14.83 C ATOM 232 CG GLN A 50 32.101 2.141 3.640 1.00 15.49 C ATOM 233 CD GLN A 50 33.469 2.596 3.069 1.00 17.86 C ATOM 234 OE1 GLN A 50 34.217 1.776 2.529 1.00 17.18 O ATOM 235 NE2 GLN A 50 33.761 3.914 3.144 1.00 14.68 N ATOM 0 H GLN A 50 30.400 -1.578 2.981 1.00 16.69 H new ATOM 0 HA GLN A 50 30.217 0.579 4.593 1.00 13.85 H new ATOM 0 HB2 GLN A 50 32.362 0.124 3.275 1.00 14.83 H new ATOM 0 HB3 GLN A 50 31.585 0.835 2.124 1.00 14.83 H new ATOM 0 HG2 GLN A 50 31.426 2.804 3.425 1.00 15.49 H new ATOM 0 HG3 GLN A 50 32.155 2.095 4.607 1.00 15.49 H new ATOM 0 HE21 GLN A 50 33.214 4.454 3.529 1.00 14.68 H new ATOM 0 HE22 GLN A 50 34.494 4.212 2.807 1.00 14.68 H new ATOM 236 N TRP A 51 28.114 0.083 2.640 1.00 11.58 N ATOM 237 CA TRP A 51 27.069 0.517 1.727 1.00 10.21 C ATOM 238 C TRP A 51 25.704 0.122 2.272 1.00 9.41 C ATOM 239 O TRP A 51 25.515 -1.033 2.749 1.00 9.70 O ATOM 240 CB TRP A 51 27.228 -0.085 0.350 1.00 10.74 C ATOM 241 CG TRP A 51 28.376 0.435 -0.425 1.00 10.79 C ATOM 242 CD1 TRP A 51 29.614 -0.074 -0.466 1.00 11.50 C ATOM 243 CD2 TRP A 51 28.364 1.561 -1.287 1.00 11.11 C ATOM 244 NE1 TRP A 51 30.412 0.680 -1.322 1.00 11.23 N ATOM 245 CE2 TRP A 51 29.661 1.691 -1.831 1.00 11.87 C ATOM 246 CE3 TRP A 51 27.406 2.507 -1.617 1.00 11.65 C ATOM 247 CZ2 TRP A 51 29.999 2.697 -2.711 1.00 12.26 C ATOM 248 CZ3 TRP A 51 27.760 3.550 -2.507 1.00 12.10 C ATOM 249 CH2 TRP A 51 29.031 3.589 -3.061 1.00 12.53 C ATOM 0 H TRP A 51 28.001 -0.702 2.972 1.00 11.58 H new ATOM 0 HA TRP A 51 27.143 1.481 1.652 1.00 10.21 H new ATOM 0 HB2 TRP A 51 27.323 -1.046 0.440 1.00 10.74 H new ATOM 0 HB3 TRP A 51 26.415 0.074 -0.155 1.00 10.74 H new ATOM 0 HD1 TRP A 51 29.899 -0.822 0.008 1.00 11.50 H new ATOM 0 HE1 TRP A 51 31.240 0.531 -1.499 1.00 11.23 H new ATOM 0 HE3 TRP A 51 26.548 2.458 -1.261 1.00 11.65 H new ATOM 0 HZ2 TRP A 51 30.861 2.764 -3.055 1.00 12.26 H new ATOM 0 HZ3 TRP A 51 27.140 4.209 -2.720 1.00 12.10 H new ATOM 0 HH2 TRP A 51 29.228 4.244 -3.691 1.00 12.53 H new ATOM 250 N VAL A 52 24.787 1.090 2.241 1.00 8.57 N ATOM 251 CA VAL A 52 23.366 0.916 2.657 1.00 8.13 C ATOM 252 C VAL A 52 22.472 1.200 1.424 1.00 8.66 C ATOM 253 O VAL A 52 22.631 2.211 0.761 1.00 8.41 O ATOM 254 CB VAL A 52 23.020 1.883 3.839 1.00 7.62 C ATOM 255 CG1 VAL A 52 21.557 1.845 4.237 1.00 7.40 C ATOM 256 CG2 VAL A 52 23.849 1.515 5.021 1.00 8.13 C ATOM 0 H VAL A 52 24.965 1.888 1.974 1.00 8.57 H new ATOM 0 HA VAL A 52 23.213 0.012 2.972 1.00 8.13 H new ATOM 0 HB VAL A 52 23.210 2.784 3.534 1.00 7.62 H new ATOM 0 HG11 VAL A 52 21.405 2.462 4.970 1.00 7.40 H new ATOM 0 HG12 VAL A 52 21.009 2.102 3.479 1.00 7.40 H new ATOM 0 HG13 VAL A 52 21.321 0.947 4.516 1.00 7.40 H new ATOM 0 HG21 VAL A 52 23.642 2.109 5.759 1.00 8.13 H new ATOM 0 HG22 VAL A 52 23.657 0.600 5.279 1.00 8.13 H new ATOM 0 HG23 VAL A 52 24.789 1.596 4.795 1.00 8.13 H new ATOM 257 N LEU A 53 21.560 0.262 1.121 1.00 8.81 N ATOM 258 CA LEU A 53 20.583 0.417 0.095 1.00 8.64 C ATOM 259 C LEU A 53 19.284 1.030 0.627 1.00 8.72 C ATOM 260 O LEU A 53 18.799 0.617 1.662 1.00 9.36 O ATOM 261 CB LEU A 53 20.348 -0.956 -0.553 1.00 8.70 C ATOM 262 CG LEU A 53 19.358 -0.948 -1.709 1.00 9.45 C ATOM 263 CD1 LEU A 53 19.859 -0.154 -2.930 1.00 9.30 C ATOM 264 CD2 LEU A 53 18.948 -2.376 -2.135 1.00 9.46 C ATOM 0 H LEU A 53 21.511 -0.493 1.530 1.00 8.81 H new ATOM 0 HA LEU A 53 20.909 1.040 -0.573 1.00 8.64 H new ATOM 0 HB2 LEU A 53 21.197 -1.300 -0.872 1.00 8.70 H new ATOM 0 HB3 LEU A 53 20.030 -1.571 0.126 1.00 8.70 H new ATOM 0 HG LEU A 53 18.573 -0.491 -1.368 1.00 9.45 H new ATOM 0 HD11 LEU A 53 19.190 -0.183 -3.632 1.00 9.30 H new ATOM 0 HD12 LEU A 53 20.018 0.768 -2.674 1.00 9.30 H new ATOM 0 HD13 LEU A 53 20.685 -0.546 -3.254 1.00 9.30 H new ATOM 0 HD21 LEU A 53 18.319 -2.326 -2.871 1.00 9.46 H new ATOM 0 HD22 LEU A 53 19.735 -2.869 -2.416 1.00 9.46 H new ATOM 0 HD23 LEU A 53 18.533 -2.831 -1.386 1.00 9.46 H new ATOM 265 N SER A 54 18.703 1.981 -0.111 1.00 8.39 N ATOM 266 CA SER A 54 17.486 2.676 0.283 1.00 8.72 C ATOM 267 C SER A 54 16.728 3.082 -0.996 1.00 8.43 C ATOM 268 O SER A 54 16.980 2.496 -2.048 1.00 8.26 O ATOM 269 CB SER A 54 17.841 3.853 1.162 1.00 8.74 C ATOM 270 OG SER A 54 16.719 4.412 1.794 1.00 9.62 O ATOM 0 H SER A 54 19.016 2.241 -0.869 1.00 8.39 H new ATOM 0 HA SER A 54 16.902 2.106 0.807 1.00 8.72 H new ATOM 0 HB2 SER A 54 18.479 3.569 1.835 1.00 8.74 H new ATOM 0 HB3 SER A 54 18.278 4.533 0.626 1.00 8.74 H new ATOM 0 HG SER A 54 16.555 3.988 2.500 1.00 9.62 H new ATOM 271 N ALA A 55 15.818 4.030 -0.935 1.00 8.78 N ATOM 272 CA ALA A 55 15.007 4.425 -2.126 1.00 9.43 C ATOM 273 C ALA A 55 15.366 5.828 -2.638 1.00 10.52 C ATOM 274 O ALA A 55 15.802 6.718 -1.844 1.00 11.23 O ATOM 275 CB ALA A 55 13.519 4.343 -1.779 1.00 9.73 C ATOM 0 H ALA A 55 15.636 4.473 -0.221 1.00 8.78 H new ATOM 0 HA ALA A 55 15.211 3.806 -2.844 1.00 9.43 H new ATOM 0 HB1 ALA A 55 12.992 4.599 -2.552 1.00 9.73 H new ATOM 0 HB2 ALA A 55 13.296 3.434 -1.523 1.00 9.73 H new ATOM 0 HB3 ALA A 55 13.325 4.943 -1.042 1.00 9.73 H new ATOM 276 N ALA A 56 15.194 6.012 -3.939 1.00 12.09 N ATOM 277 CA ALA A 56 15.706 7.187 -4.654 1.00 14.38 C ATOM 278 C ALA A 56 15.128 8.535 -4.147 1.00 16.28 C ATOM 279 O ALA A 56 15.884 9.514 -4.085 1.00 17.76 O ATOM 280 CB ALA A 56 15.494 7.075 -6.158 1.00 14.49 C ATOM 0 H ALA A 56 14.773 5.456 -4.442 1.00 12.09 H new ATOM 0 HA ALA A 56 16.657 7.193 -4.462 1.00 14.38 H new ATOM 0 HB1 ALA A 56 15.844 7.867 -6.594 1.00 14.49 H new ATOM 0 HB2 ALA A 56 15.957 6.291 -6.493 1.00 14.49 H new ATOM 0 HB3 ALA A 56 14.546 6.995 -6.346 1.00 14.49 H new ATOM 281 N HIS A 57 13.860 8.601 -3.736 1.00 17.77 N ATOM 282 CA HIS A 57 13.290 9.902 -3.330 1.00 21.02 C ATOM 283 C HIS A 57 13.642 10.322 -1.909 1.00 19.74 C ATOM 284 O HIS A 57 13.301 11.457 -1.530 1.00 16.86 O ATOM 285 CB HIS A 57 11.760 9.974 -3.530 1.00 25.26 C ATOM 286 CG HIS A 57 11.313 9.607 -4.916 1.00 32.02 C ATOM 287 ND1 HIS A 57 11.717 10.304 -6.032 1.00 40.17 N ATOM 288 CD2 HIS A 57 10.488 8.629 -5.369 1.00 40.51 C ATOM 289 CE1 HIS A 57 11.174 9.766 -7.109 1.00 42.85 C ATOM 290 NE2 HIS A 57 10.419 8.752 -6.737 1.00 41.13 N ATOM 0 H HIS A 57 13.323 7.931 -3.683 1.00 17.77 H new ATOM 0 HA HIS A 57 13.714 10.536 -3.930 1.00 21.02 H new ATOM 0 HB2 HIS A 57 11.331 9.382 -2.893 1.00 25.26 H new ATOM 0 HB3 HIS A 57 11.458 10.874 -3.329 1.00 25.26 H new ATOM 0 HD2 HIS A 57 10.050 7.993 -4.850 1.00 40.51 H new ATOM 0 HE1 HIS A 57 11.303 10.055 -7.984 1.00 42.85 H new ATOM 0 HE2 HIS A 57 9.959 8.250 -7.263 1.00 41.13 H new ATOM 291 N CYS A 58 14.320 9.434 -1.156 1.00 17.29 N ATOM 292 CA CYS A 58 14.804 9.716 0.196 1.00 17.88 C ATOM 293 C CYS A 58 15.775 10.922 0.284 1.00 21.19 C ATOM 294 O CYS A 58 15.796 11.594 1.279 1.00 24.98 O ATOM 295 CB CYS A 58 15.437 8.468 0.836 1.00 14.43 C ATOM 296 SG CYS A 58 14.213 7.126 1.071 1.00 12.15 S ATOM 0 H CYS A 58 14.510 8.641 -1.428 1.00 17.29 H new ATOM 0 HA CYS A 58 14.015 9.969 0.700 1.00 17.88 H new ATOM 0 HB2 CYS A 58 16.162 8.150 0.275 1.00 14.43 H new ATOM 0 HB3 CYS A 58 15.825 8.706 1.693 1.00 14.43 H new ATOM 297 N LEU A 59 16.509 11.179 -0.774 1.00 24.13 N ATOM 298 CA LEU A 59 17.469 12.292 -0.853 1.00 31.61 C ATOM 299 C LEU A 59 16.829 13.621 -1.370 1.00 32.49 C ATOM 300 O LEU A 59 17.453 14.668 -1.291 1.00 39.85 O ATOM 301 CB LEU A 59 18.567 11.845 -1.824 1.00 33.95 C ATOM 302 CG LEU A 59 20.065 12.042 -1.632 1.00 38.04 C ATOM 303 CD1 LEU A 59 20.559 11.352 -0.358 1.00 36.32 C ATOM 304 CD2 LEU A 59 20.753 11.502 -2.907 1.00 35.34 C ATOM 0 H LEU A 59 16.473 10.708 -1.492 1.00 24.13 H new ATOM 0 HA LEU A 59 17.806 12.485 0.036 1.00 31.61 H new ATOM 0 HB2 LEU A 59 18.441 10.890 -1.941 1.00 33.95 H new ATOM 0 HB3 LEU A 59 18.354 12.265 -2.672 1.00 33.95 H new ATOM 0 HG LEU A 59 20.283 12.980 -1.513 1.00 38.04 H new ATOM 0 HD11 LEU A 59 21.514 11.494 -0.262 1.00 36.32 H new ATOM 0 HD12 LEU A 59 20.099 11.723 0.411 1.00 36.32 H new ATOM 0 HD13 LEU A 59 20.378 10.401 -0.414 1.00 36.32 H new ATOM 0 HD21 LEU A 59 21.714 11.609 -2.826 1.00 35.34 H new ATOM 0 HD22 LEU A 59 20.541 10.562 -3.016 1.00 35.34 H new ATOM 0 HD23 LEU A 59 20.437 11.996 -3.680 1.00 35.34 H new ATOM 305 N GLU A 60 15.604 13.578 -1.886 1.00 35.82 N ATOM 306 CA GLU A 60 15.002 14.680 -2.684 1.00 38.92 C ATOM 307 C GLU A 60 14.915 16.010 -1.962 1.00 38.47 C ATOM 308 O GLU A 60 14.526 16.050 -0.796 1.00 44.36 O ATOM 309 CB GLU A 60 13.584 14.278 -3.140 1.00 39.48 C ATOM 0 H GLU A 60 15.081 12.903 -1.788 1.00 35.82 H new ATOM 0 HA GLU A 60 15.601 14.810 -3.436 1.00 38.92 H new ATOM 310 N LYS A 63 21.895 17.347 5.485 1.00 31.60 N ATOM 311 CA LYS A 63 22.803 16.539 6.326 1.00 30.70 C ATOM 312 C LYS A 63 22.409 15.030 6.574 1.00 31.22 C ATOM 313 O LYS A 63 21.669 14.659 7.557 1.00 25.47 O ATOM 314 CB LYS A 63 23.046 17.312 7.596 1.00 33.10 C ATOM 315 CG LYS A 63 23.539 16.592 8.844 1.00 34.54 C ATOM 316 CD LYS A 63 24.869 15.918 8.681 1.00 33.29 C ATOM 317 CE LYS A 63 25.557 15.867 10.029 1.00 32.29 C ATOM 318 NZ LYS A 63 26.915 15.236 9.913 1.00 31.88 N ATOM 0 HA LYS A 63 23.623 16.417 5.823 1.00 30.70 H new ATOM 0 HB2 LYS A 63 23.690 18.008 7.391 1.00 33.10 H new ATOM 0 HB3 LYS A 63 22.214 17.754 7.828 1.00 33.10 H new ATOM 0 HG2 LYS A 63 23.599 17.231 9.571 1.00 34.54 H new ATOM 0 HG3 LYS A 63 22.881 15.928 9.103 1.00 34.54 H new ATOM 0 HD2 LYS A 63 24.751 15.022 8.330 1.00 33.29 H new ATOM 0 HD3 LYS A 63 25.416 16.403 8.043 1.00 33.29 H new ATOM 0 HE2 LYS A 63 25.643 16.764 10.387 1.00 32.29 H new ATOM 0 HE3 LYS A 63 25.014 15.363 10.655 1.00 32.29 H new ATOM 0 HZ1 LYS A 63 27.302 15.215 10.714 1.00 31.88 H new ATOM 0 HZ2 LYS A 63 26.831 14.406 9.603 1.00 31.88 H new ATOM 0 HZ3 LYS A 63 27.417 15.712 9.353 1.00 31.88 H new ATOM 319 N VAL A 64 22.976 14.178 5.712 1.00 25.06 N ATOM 320 CA VAL A 64 22.546 12.791 5.567 1.00 24.60 C ATOM 321 C VAL A 64 23.400 11.832 6.401 1.00 20.90 C ATOM 322 O VAL A 64 24.627 11.775 6.253 1.00 18.04 O ATOM 323 CB VAL A 64 22.523 12.383 4.093 1.00 26.45 C ATOM 324 CG1 VAL A 64 21.894 10.996 3.908 1.00 26.15 C ATOM 325 CG2 VAL A 64 21.730 13.405 3.305 1.00 25.30 C ATOM 0 H VAL A 64 23.626 14.395 5.193 1.00 25.06 H new ATOM 0 HA VAL A 64 21.642 12.729 5.912 1.00 24.60 H new ATOM 0 HB VAL A 64 23.437 12.346 3.772 1.00 26.45 H new ATOM 0 HG11 VAL A 64 21.893 10.764 2.966 1.00 26.15 H new ATOM 0 HG12 VAL A 64 22.409 10.339 4.402 1.00 26.15 H new ATOM 0 HG13 VAL A 64 20.982 11.007 4.239 1.00 26.15 H new ATOM 0 HG21 VAL A 64 21.713 13.150 2.369 1.00 25.30 H new ATOM 0 HG22 VAL A 64 20.823 13.444 3.646 1.00 25.30 H new ATOM 0 HG23 VAL A 64 22.146 14.277 3.395 1.00 25.30 H new ATOM 326 N GLN A 65 22.748 11.113 7.330 1.00 17.32 N ATOM 327 CA GLN A 65 23.440 10.156 8.174 1.00 15.34 C ATOM 328 C GLN A 65 22.707 8.836 8.185 1.00 13.76 C ATOM 329 O GLN A 65 21.551 8.779 7.758 1.00 12.62 O ATOM 330 CB GLN A 65 23.626 10.702 9.560 1.00 17.72 C ATOM 331 CG GLN A 65 24.713 11.762 9.681 1.00 17.53 C ATOM 332 CD GLN A 65 24.622 12.476 11.012 1.00 19.83 C ATOM 333 OE1 GLN A 65 23.558 12.963 11.357 1.00 19.15 O ATOM 334 NE2 GLN A 65 25.719 12.514 11.758 1.00 18.42 N ATOM 0 H GLN A 65 21.903 11.173 7.479 1.00 17.32 H new ATOM 0 HA GLN A 65 24.324 9.999 7.806 1.00 15.34 H new ATOM 0 HB2 GLN A 65 22.786 11.081 9.861 1.00 17.72 H new ATOM 0 HB3 GLN A 65 23.837 9.969 10.159 1.00 17.72 H new ATOM 0 HG2 GLN A 65 25.586 11.348 9.590 1.00 17.53 H new ATOM 0 HG3 GLN A 65 24.627 12.404 8.959 1.00 17.53 H new ATOM 0 HE21 GLN A 65 26.447 12.156 11.471 1.00 18.42 H new ATOM 0 HE22 GLN A 65 25.702 12.896 12.528 1.00 18.42 H new ATOM 335 N VAL A 66 23.400 7.771 8.582 1.00 12.31 N ATOM 336 CA VAL A 66 22.773 6.432 8.676 1.00 12.02 C ATOM 337 C VAL A 66 22.981 5.822 10.026 1.00 11.47 C ATOM 338 O VAL A 66 24.131 5.646 10.510 1.00 11.47 O ATOM 339 CB VAL A 66 23.230 5.453 7.544 1.00 11.96 C ATOM 340 CG1 VAL A 66 22.508 4.149 7.652 1.00 12.10 C ATOM 341 CG2 VAL A 66 22.985 6.047 6.153 1.00 12.35 C ATOM 0 H VAL A 66 24.231 7.792 8.803 1.00 12.31 H new ATOM 0 HA VAL A 66 21.822 6.576 8.547 1.00 12.02 H new ATOM 0 HB VAL A 66 24.183 5.310 7.658 1.00 11.96 H new ATOM 0 HG11 VAL A 66 22.803 3.556 6.944 1.00 12.10 H new ATOM 0 HG12 VAL A 66 22.698 3.744 8.513 1.00 12.10 H new ATOM 0 HG13 VAL A 66 21.553 4.300 7.570 1.00 12.10 H new ATOM 0 HG21 VAL A 66 23.278 5.417 5.476 1.00 12.35 H new ATOM 0 HG22 VAL A 66 22.038 6.226 6.039 1.00 12.35 H new ATOM 0 HG23 VAL A 66 23.483 6.874 6.062 1.00 12.35 H new ATOM 342 N LEU A 67 21.873 5.504 10.661 1.00 11.77 N ATOM 343 CA LEU A 67 21.904 4.936 11.970 1.00 12.27 C ATOM 344 C LEU A 67 21.854 3.443 11.826 1.00 11.89 C ATOM 345 O LEU A 67 20.814 2.936 11.403 1.00 11.66 O ATOM 346 CB LEU A 67 20.722 5.439 12.826 1.00 12.59 C ATOM 347 CG LEU A 67 20.652 4.958 14.283 1.00 12.78 C ATOM 348 CD1 LEU A 67 21.753 5.421 15.262 1.00 14.21 C ATOM 349 CD2 LEU A 67 19.364 5.461 14.901 1.00 13.32 C ATOM 0 H LEU A 67 21.084 5.615 10.338 1.00 11.77 H new ATOM 0 HA LEU A 67 22.718 5.205 12.425 1.00 12.27 H new ATOM 0 HB2 LEU A 67 20.746 6.409 12.831 1.00 12.59 H new ATOM 0 HB3 LEU A 67 19.899 5.178 12.384 1.00 12.59 H new ATOM 0 HG LEU A 67 20.745 3.997 14.188 1.00 12.78 H new ATOM 0 HD11 LEU A 67 21.585 5.045 16.140 1.00 14.21 H new ATOM 0 HD12 LEU A 67 22.618 5.120 14.942 1.00 14.21 H new ATOM 0 HD13 LEU A 67 21.749 6.389 15.319 1.00 14.21 H new ATOM 0 HD21 LEU A 67 19.309 5.163 15.822 1.00 13.32 H new ATOM 0 HD22 LEU A 67 19.349 6.431 14.874 1.00 13.32 H new ATOM 0 HD23 LEU A 67 18.608 5.112 14.403 1.00 13.32 H new ATOM 350 N LEU A 68 22.905 2.749 12.313 1.00 12.21 N ATOM 351 CA LEU A 68 22.982 1.250 12.356 1.00 11.44 C ATOM 352 C LEU A 68 22.959 0.706 13.824 1.00 11.96 C ATOM 353 O LEU A 68 23.221 1.474 14.772 1.00 11.84 O ATOM 354 CB LEU A 68 24.241 0.770 11.646 1.00 12.06 C ATOM 355 CG LEU A 68 24.323 1.027 10.153 1.00 12.57 C ATOM 356 CD1 LEU A 68 25.684 0.569 9.681 1.00 13.34 C ATOM 357 CD2 LEU A 68 23.199 0.296 9.434 1.00 13.38 C ATOM 0 H LEU A 68 23.605 3.133 12.633 1.00 12.21 H new ATOM 0 HA LEU A 68 22.199 0.904 11.900 1.00 11.44 H new ATOM 0 HB2 LEU A 68 25.006 1.192 12.068 1.00 12.06 H new ATOM 0 HB3 LEU A 68 24.326 -0.185 11.794 1.00 12.06 H new ATOM 0 HG LEU A 68 24.216 1.971 9.956 1.00 12.57 H new ATOM 0 HD11 LEU A 68 25.764 0.722 8.727 1.00 13.34 H new ATOM 0 HD12 LEU A 68 26.373 1.068 10.147 1.00 13.34 H new ATOM 0 HD13 LEU A 68 25.789 -0.377 9.866 1.00 13.34 H new ATOM 0 HD21 LEU A 68 23.260 0.466 8.481 1.00 13.38 H new ATOM 0 HD22 LEU A 68 23.276 -0.657 9.597 1.00 13.38 H new ATOM 0 HD23 LEU A 68 22.344 0.612 9.765 1.00 13.38 H new ATOM 358 N GLY A 69 22.530 -0.554 13.997 1.00 10.05 N ATOM 359 CA GLY A 69 22.510 -1.191 15.290 1.00 10.98 C ATOM 360 C GLY A 69 21.433 -0.741 16.258 1.00 10.59 C ATOM 361 O GLY A 69 21.512 -1.011 17.451 1.00 12.37 O ATOM 0 H GLY A 69 22.245 -1.052 13.356 1.00 10.05 H new ATOM 0 HA2 GLY A 69 22.414 -2.147 15.155 1.00 10.98 H new ATOM 0 HA3 GLY A 69 23.373 -1.049 15.710 1.00 10.98 H new ATOM 362 N ALA A 70 20.383 -0.144 15.733 1.00 10.03 N ATOM 363 CA ALA A 70 19.379 0.511 16.543 1.00 10.26 C ATOM 364 C ALA A 70 18.115 -0.318 16.683 1.00 10.26 C ATOM 365 O ALA A 70 17.726 -1.078 15.783 1.00 11.18 O ATOM 366 CB ALA A 70 19.000 1.838 15.940 1.00 10.14 C ATOM 0 H ALA A 70 20.231 -0.107 14.887 1.00 10.03 H new ATOM 0 HA ALA A 70 19.774 0.630 17.421 1.00 10.26 H new ATOM 0 HB1 ALA A 70 18.327 2.265 16.493 1.00 10.14 H new ATOM 0 HB2 ALA A 70 19.784 2.406 15.889 1.00 10.14 H new ATOM 0 HB3 ALA A 70 18.644 1.699 15.048 1.00 10.14 H new ATOM 367 N HIS A 71 17.449 -0.056 17.795 1.00 9.85 N ATOM 368 CA HIS A 71 16.067 -0.427 18.012 1.00 9.76 C ATOM 369 C HIS A 71 15.238 0.864 18.265 1.00 9.89 C ATOM 370 O HIS A 71 14.356 1.218 17.470 1.00 9.13 O ATOM 371 CB HIS A 71 15.920 -1.489 19.105 1.00 10.77 C ATOM 372 CG HIS A 71 14.528 -2.037 19.202 1.00 10.70 C ATOM 373 ND1 HIS A 71 13.919 -2.692 18.144 1.00 10.43 N ATOM 374 CD2 HIS A 71 13.595 -1.962 20.187 1.00 11.40 C ATOM 375 CE1 HIS A 71 12.679 -2.994 18.475 1.00 10.19 C ATOM 376 NE2 HIS A 71 12.446 -2.554 19.695 1.00 10.56 N ATOM 0 H HIS A 71 17.801 0.355 18.463 1.00 9.85 H new ATOM 0 HA HIS A 71 15.711 -0.856 17.218 1.00 9.76 H new ATOM 0 HB2 HIS A 71 16.537 -2.216 18.928 1.00 10.77 H new ATOM 0 HB3 HIS A 71 16.172 -1.104 19.959 1.00 10.77 H new ATOM 0 HD2 HIS A 71 13.707 -1.585 21.030 1.00 11.40 H new ATOM 0 HE1 HIS A 71 12.069 -3.444 17.936 1.00 10.19 H new ATOM 0 HE2 HIS A 71 11.700 -2.624 20.117 1.00 10.56 H new ATOM 377 N SER A 72 15.567 1.582 19.313 1.00 10.48 N ATOM 378 CA SER A 72 15.032 2.906 19.608 1.00 10.82 C ATOM 379 C SER A 72 15.801 3.993 18.824 1.00 11.69 C ATOM 380 O SER A 72 17.037 3.979 18.785 1.00 10.96 O ATOM 381 CB SER A 72 15.176 3.180 21.106 1.00 12.29 C ATOM 382 OG SER A 72 15.003 4.561 21.443 1.00 11.96 O ATOM 0 H SER A 72 16.131 1.308 19.902 1.00 10.48 H new ATOM 0 HA SER A 72 14.099 2.931 19.345 1.00 10.82 H new ATOM 0 HB2 SER A 72 14.524 2.650 21.590 1.00 12.29 H new ATOM 0 HB3 SER A 72 16.053 2.888 21.400 1.00 12.29 H new ATOM 0 HG SER A 72 14.185 4.750 21.439 1.00 11.96 H new ATOM 383 N LEU A 73 15.076 4.930 18.207 1.00 11.77 N ATOM 384 CA LEU A 73 15.732 6.022 17.553 1.00 12.26 C ATOM 385 C LEU A 73 16.410 6.957 18.609 1.00 14.87 C ATOM 386 O LEU A 73 17.405 7.637 18.285 1.00 15.65 O ATOM 387 CB LEU A 73 14.751 6.813 16.710 1.00 12.56 C ATOM 388 CG LEU A 73 14.184 6.040 15.516 1.00 11.84 C ATOM 389 CD1 LEU A 73 13.020 6.828 14.940 1.00 12.02 C ATOM 390 CD2 LEU A 73 15.217 5.685 14.429 1.00 12.27 C ATOM 0 H LEU A 73 14.217 4.939 18.164 1.00 11.77 H new ATOM 0 HA LEU A 73 16.415 5.659 16.968 1.00 12.26 H new ATOM 0 HB2 LEU A 73 14.016 7.103 17.273 1.00 12.56 H new ATOM 0 HB3 LEU A 73 15.192 7.613 16.384 1.00 12.56 H new ATOM 0 HG LEU A 73 13.886 5.178 15.847 1.00 11.84 H new ATOM 0 HD11 LEU A 73 12.649 6.350 14.181 1.00 12.02 H new ATOM 0 HD12 LEU A 73 12.336 6.937 15.619 1.00 12.02 H new ATOM 0 HD13 LEU A 73 13.331 7.700 14.652 1.00 12.02 H new ATOM 0 HD21 LEU A 73 14.779 5.199 13.713 1.00 12.27 H new ATOM 0 HD22 LEU A 73 15.608 6.499 14.075 1.00 12.27 H new ATOM 0 HD23 LEU A 73 15.915 5.133 14.814 1.00 12.27 H new ATOM 391 N SER A 74 15.934 6.954 19.862 1.00 14.20 N ATOM 392 CA SER A 74 16.349 8.028 20.802 1.00 14.73 C ATOM 393 C SER A 74 17.158 7.601 22.010 1.00 15.47 C ATOM 394 O SER A 74 17.856 8.413 22.602 1.00 16.05 O ATOM 395 CB SER A 74 15.093 8.755 21.258 1.00 14.56 C ATOM 396 OG SER A 74 14.346 7.924 22.084 1.00 13.81 O ATOM 0 H SER A 74 15.392 6.369 20.184 1.00 14.20 H new ATOM 0 HA SER A 74 16.961 8.592 20.304 1.00 14.73 H new ATOM 0 HB2 SER A 74 15.332 9.567 21.732 1.00 14.56 H new ATOM 0 HB3 SER A 74 14.565 9.021 20.489 1.00 14.56 H new ATOM 0 HG SER A 74 13.772 7.516 21.626 1.00 13.81 H new ATOM 397 N GLN A 75 17.076 6.331 22.378 1.00 14.63 N ATOM 398 CA GLN A 75 17.647 5.845 23.616 1.00 13.56 C ATOM 399 C GLN A 75 19.049 5.287 23.366 1.00 14.80 C ATOM 400 O GLN A 75 19.324 4.727 22.304 1.00 16.08 O ATOM 401 CB GLN A 75 16.762 4.768 24.247 1.00 12.46 C ATOM 402 CG GLN A 75 15.408 5.254 24.675 1.00 12.55 C ATOM 403 CD GLN A 75 14.558 4.293 25.451 1.00 12.86 C ATOM 404 OE1 GLN A 75 13.684 4.739 26.232 1.00 12.94 O ATOM 405 NE2 GLN A 75 14.760 2.957 25.237 1.00 12.68 N ATOM 0 H GLN A 75 16.684 5.725 21.911 1.00 14.63 H new ATOM 0 HA GLN A 75 17.704 6.591 24.233 1.00 13.56 H new ATOM 0 HB2 GLN A 75 16.648 4.044 23.611 1.00 12.46 H new ATOM 0 HB3 GLN A 75 17.220 4.399 25.018 1.00 12.46 H new ATOM 0 HG2 GLN A 75 15.530 6.052 25.213 1.00 12.55 H new ATOM 0 HG3 GLN A 75 14.917 5.519 23.881 1.00 12.55 H new ATOM 0 HE21 GLN A 75 15.372 2.697 24.692 1.00 12.68 H new ATOM 0 HE22 GLN A 75 14.275 2.378 25.648 1.00 12.68 H new ATOM 406 N PRO A 76 19.931 5.367 24.380 1.00 15.98 N ATOM 407 CA PRO A 76 21.279 4.817 24.222 1.00 16.51 C ATOM 408 C PRO A 76 21.236 3.283 24.174 1.00 16.78 C ATOM 409 O PRO A 76 20.497 2.665 24.957 1.00 20.27 O ATOM 410 CB PRO A 76 22.030 5.329 25.485 1.00 16.92 C ATOM 411 CG PRO A 76 20.948 5.503 26.486 1.00 17.08 C ATOM 412 CD PRO A 76 19.730 5.975 25.703 1.00 16.31 C ATOM 0 HA PRO A 76 21.711 5.090 23.398 1.00 16.51 H new ATOM 0 HB2 PRO A 76 22.696 4.692 25.787 1.00 16.92 H new ATOM 0 HB3 PRO A 76 22.493 6.163 25.311 1.00 16.92 H new ATOM 0 HG2 PRO A 76 20.764 4.670 26.947 1.00 17.08 H new ATOM 0 HG3 PRO A 76 21.200 6.152 27.162 1.00 17.08 H new ATOM 0 HD2 PRO A 76 18.902 5.678 26.113 1.00 16.31 H new ATOM 0 HD3 PRO A 76 19.689 6.943 25.651 1.00 16.31 H new ATOM 413 N GLU A 77 21.925 2.705 23.190 1.00 15.79 N ATOM 414 CA GLU A 77 22.076 1.266 23.026 1.00 15.44 C ATOM 415 C GLU A 77 23.581 1.030 22.655 1.00 15.34 C ATOM 416 O GLU A 77 24.095 1.747 21.840 1.00 14.41 O ATOM 417 CB GLU A 77 21.102 0.764 21.942 1.00 15.52 C ATOM 418 CG GLU A 77 19.613 1.141 22.208 1.00 14.55 C ATOM 419 CD GLU A 77 18.643 0.741 21.108 1.00 14.75 C ATOM 420 OE1 GLU A 77 19.084 0.515 19.973 1.00 13.06 O ATOM 421 OE2 GLU A 77 17.424 0.686 21.363 1.00 14.62 O ATOM 0 H GLU A 77 22.330 3.158 22.581 1.00 15.79 H new ATOM 0 HA GLU A 77 21.858 0.769 23.830 1.00 15.44 H new ATOM 0 HB2 GLU A 77 21.371 1.129 21.084 1.00 15.52 H new ATOM 0 HB3 GLU A 77 21.175 -0.201 21.875 1.00 15.52 H new ATOM 0 HG2 GLU A 77 19.331 0.724 23.037 1.00 14.55 H new ATOM 0 HG3 GLU A 77 19.555 2.100 22.339 1.00 14.55 H new ATOM 422 N PRO A 78 24.257 0.012 23.235 1.00 18.04 N ATOM 423 CA PRO A 78 25.676 -0.205 22.931 1.00 18.00 C ATOM 424 C PRO A 78 26.030 -0.475 21.500 1.00 15.92 C ATOM 425 O PRO A 78 27.109 -0.106 21.093 1.00 15.00 O ATOM 426 CB PRO A 78 26.055 -1.448 23.751 1.00 18.95 C ATOM 427 CG PRO A 78 24.985 -1.610 24.745 1.00 19.85 C ATOM 428 CD PRO A 78 23.746 -1.004 24.179 1.00 18.31 C ATOM 0 HA PRO A 78 26.149 0.616 23.140 1.00 18.00 H new ATOM 0 HB2 PRO A 78 26.125 -2.232 23.184 1.00 18.95 H new ATOM 0 HB3 PRO A 78 26.916 -1.332 24.182 1.00 18.95 H new ATOM 0 HG2 PRO A 78 24.845 -2.549 24.944 1.00 19.85 H new ATOM 0 HG3 PRO A 78 25.226 -1.176 25.578 1.00 19.85 H new ATOM 0 HD2 PRO A 78 23.198 -1.666 23.729 1.00 18.31 H new ATOM 0 HD3 PRO A 78 23.196 -0.604 24.871 1.00 18.31 H new ATOM 429 N SER A 79 25.139 -1.116 20.750 1.00 14.98 N ATOM 430 CA SER A 79 25.356 -1.390 19.330 1.00 14.48 C ATOM 431 C SER A 79 25.090 -0.193 18.408 1.00 15.75 C ATOM 432 O SER A 79 25.518 -0.237 17.244 1.00 17.63 O ATOM 433 CB SER A 79 24.473 -2.558 18.847 1.00 13.67 C ATOM 434 OG SER A 79 23.079 -2.333 19.108 1.00 13.84 O ATOM 0 H SER A 79 24.387 -1.406 21.051 1.00 14.98 H new ATOM 0 HA SER A 79 26.299 -1.611 19.270 1.00 14.48 H new ATOM 0 HB2 SER A 79 24.605 -2.688 17.895 1.00 13.67 H new ATOM 0 HB3 SER A 79 24.754 -3.376 19.286 1.00 13.67 H new ATOM 0 HG SER A 79 22.709 -2.032 18.416 1.00 13.84 H new ATOM 435 N LYS A 80 24.392 0.842 18.890 1.00 15.26 N ATOM 436 CA LYS A 80 23.896 1.913 17.990 1.00 16.42 C ATOM 437 C LYS A 80 25.081 2.759 17.543 1.00 17.06 C ATOM 438 O LYS A 80 25.936 3.132 18.383 1.00 17.53 O ATOM 439 CB LYS A 80 22.871 2.857 18.690 1.00 16.02 C ATOM 440 CG LYS A 80 21.420 2.503 18.486 1.00 17.79 C ATOM 441 CD LYS A 80 20.417 3.402 19.264 1.00 17.98 C ATOM 442 CE LYS A 80 20.376 4.858 18.862 1.00 17.46 C ATOM 443 NZ LYS A 80 19.257 5.554 19.545 1.00 17.70 N ATOM 0 H LYS A 80 24.194 0.949 19.720 1.00 15.26 H new ATOM 0 HA LYS A 80 23.450 1.483 17.244 1.00 16.42 H new ATOM 0 HB2 LYS A 80 23.056 2.861 19.642 1.00 16.02 H new ATOM 0 HB3 LYS A 80 23.016 3.761 18.369 1.00 16.02 H new ATOM 0 HG2 LYS A 80 21.217 2.557 17.539 1.00 17.79 H new ATOM 0 HG3 LYS A 80 21.284 1.581 18.754 1.00 17.79 H new ATOM 0 HD2 LYS A 80 19.527 3.031 19.156 1.00 17.98 H new ATOM 0 HD3 LYS A 80 20.632 3.352 20.209 1.00 17.98 H new ATOM 0 HE2 LYS A 80 21.217 5.286 19.089 1.00 17.46 H new ATOM 0 HE3 LYS A 80 20.271 4.931 17.900 1.00 17.46 H new ATOM 0 HZ1 LYS A 80 19.314 6.429 19.392 1.00 17.70 H new ATOM 0 HZ2 LYS A 80 18.482 5.248 19.232 1.00 17.70 H new ATOM 0 HZ3 LYS A 80 19.304 5.403 20.421 1.00 17.70 H new ATOM 444 N ARG A 81 25.135 3.086 16.268 1.00 16.42 N ATOM 445 CA ARG A 81 26.192 3.991 15.775 1.00 18.74 C ATOM 446 C ARG A 81 25.669 4.772 14.596 1.00 16.38 C ATOM 447 O ARG A 81 25.128 4.195 13.644 1.00 13.66 O ATOM 448 CB ARG A 81 27.444 3.196 15.375 1.00 21.40 C ATOM 449 CG ARG A 81 28.569 4.074 14.887 1.00 27.61 C ATOM 450 CD ARG A 81 29.810 4.018 15.756 1.00 32.98 C ATOM 451 NE ARG A 81 30.965 3.463 15.081 1.00 36.73 N ATOM 452 CZ ARG A 81 31.568 4.017 14.031 1.00 41.75 C ATOM 453 NH1 ARG A 81 32.629 3.427 13.509 1.00 40.33 N ATOM 454 NH2 ARG A 81 31.105 5.144 13.480 1.00 43.67 N ATOM 0 H ARG A 81 24.585 2.808 15.668 1.00 16.42 H new ATOM 0 HA ARG A 81 26.440 4.604 16.484 1.00 18.74 H new ATOM 0 HB2 ARG A 81 27.750 2.680 16.137 1.00 21.40 H new ATOM 0 HB3 ARG A 81 27.210 2.562 14.679 1.00 21.40 H new ATOM 0 HG2 ARG A 81 28.805 3.811 13.984 1.00 27.61 H new ATOM 0 HG3 ARG A 81 28.256 4.991 14.843 1.00 27.61 H new ATOM 0 HD2 ARG A 81 30.023 4.914 16.061 1.00 32.98 H new ATOM 0 HD3 ARG A 81 29.620 3.487 16.545 1.00 32.98 H new ATOM 0 HE ARG A 81 31.284 2.722 15.380 1.00 36.73 H new ATOM 0 HH11 ARG A 81 32.923 2.693 13.847 1.00 40.33 H new ATOM 0 HH12 ARG A 81 33.025 3.777 12.831 1.00 40.33 H new ATOM 0 HH21 ARG A 81 30.405 5.525 13.804 1.00 43.67 H new ATOM 0 HH22 ARG A 81 31.507 5.488 12.802 1.00 43.67 H new ATOM 455 N LEU A 82 25.848 6.085 14.650 1.00 15.42 N ATOM 456 CA LEU A 82 25.345 6.967 13.588 1.00 16.30 C ATOM 457 C LEU A 82 26.535 7.267 12.685 1.00 16.20 C ATOM 458 O LEU A 82 27.563 7.821 13.164 1.00 16.78 O ATOM 459 CB LEU A 82 24.727 8.227 14.218 1.00 16.11 C ATOM 460 CG LEU A 82 23.974 9.295 13.419 1.00 17.52 C ATOM 461 CD1 LEU A 82 22.658 8.803 12.849 1.00 17.20 C ATOM 462 CD2 LEU A 82 23.697 10.526 14.303 1.00 18.57 C ATOM 0 H LEU A 82 26.256 6.491 15.289 1.00 15.42 H new ATOM 0 HA LEU A 82 24.640 6.561 13.060 1.00 16.30 H new ATOM 0 HB2 LEU A 82 24.114 7.916 14.902 1.00 16.11 H new ATOM 0 HB3 LEU A 82 25.450 8.687 14.673 1.00 16.11 H new ATOM 0 HG LEU A 82 24.550 9.526 12.674 1.00 17.52 H new ATOM 0 HD11 LEU A 82 22.230 9.521 12.356 1.00 17.20 H new ATOM 0 HD12 LEU A 82 22.823 8.055 12.253 1.00 17.20 H new ATOM 0 HD13 LEU A 82 22.078 8.518 13.572 1.00 17.20 H new ATOM 0 HD21 LEU A 82 23.220 11.195 13.787 1.00 18.57 H new ATOM 0 HD22 LEU A 82 23.159 10.262 15.066 1.00 18.57 H new ATOM 0 HD23 LEU A 82 24.538 10.897 14.614 1.00 18.57 H new ATOM 463 N TYR A 83 26.442 6.862 11.411 1.00 14.58 N ATOM 464 CA TYR A 83 27.490 7.028 10.446 1.00 13.76 C ATOM 465 C TYR A 83 27.220 8.223 9.560 1.00 15.26 C ATOM 466 O TYR A 83 26.120 8.367 9.058 1.00 15.57 O ATOM 467 CB TYR A 83 27.616 5.762 9.559 1.00 13.46 C ATOM 468 CG TYR A 83 28.176 4.593 10.306 1.00 14.01 C ATOM 469 CD1 TYR A 83 27.329 3.740 11.047 1.00 13.25 C ATOM 470 CD2 TYR A 83 29.530 4.323 10.294 1.00 13.60 C ATOM 471 CE1 TYR A 83 27.849 2.677 11.804 1.00 14.08 C ATOM 472 CE2 TYR A 83 30.052 3.265 11.019 1.00 14.64 C ATOM 473 CZ TYR A 83 29.211 2.438 11.774 1.00 14.34 C ATOM 474 OH TYR A 83 29.749 1.385 12.459 1.00 14.23 O ATOM 0 H TYR A 83 25.743 6.475 11.094 1.00 14.58 H new ATOM 0 HA TYR A 83 28.318 7.170 10.931 1.00 13.76 H new ATOM 0 HB2 TYR A 83 26.743 5.529 9.207 1.00 13.46 H new ATOM 0 HB3 TYR A 83 28.185 5.959 8.798 1.00 13.46 H new ATOM 0 HD1 TYR A 83 26.410 3.885 11.034 1.00 13.25 H new ATOM 0 HD2 TYR A 83 30.100 4.860 9.792 1.00 13.60 H new ATOM 0 HE1 TYR A 83 27.287 2.143 12.317 1.00 14.08 H new ATOM 0 HE2 TYR A 83 30.968 3.102 11.004 1.00 14.64 H new ATOM 0 HH TYR A 83 30.532 1.575 12.696 1.00 14.23 H new ATOM 475 N ASP A 84 28.267 9.014 9.285 1.00 15.51 N ATOM 476 CA ASP A 84 28.225 9.959 8.215 1.00 15.92 C ATOM 477 C ASP A 84 28.282 9.254 6.848 1.00 15.17 C ATOM 478 O ASP A 84 28.733 8.086 6.708 1.00 17.15 O ATOM 479 CB ASP A 84 29.383 10.960 8.368 1.00 18.13 C ATOM 480 CG ASP A 84 29.260 11.833 9.646 1.00 18.37 C ATOM 481 OD1 ASP A 84 28.180 12.282 9.966 1.00 18.78 O ATOM 482 OD2 ASP A 84 30.275 12.090 10.288 1.00 21.65 O ATOM 0 H ASP A 84 29.007 9.003 9.722 1.00 15.51 H new ATOM 0 HA ASP A 84 27.384 10.441 8.256 1.00 15.92 H new ATOM 0 HB2 ASP A 84 30.223 10.475 8.392 1.00 18.13 H new ATOM 0 HB3 ASP A 84 29.411 11.537 7.589 1.00 18.13 H new ATOM 483 N VAL A 85 27.824 9.964 5.849 1.00 15.77 N ATOM 484 CA VAL A 85 27.773 9.479 4.477 1.00 14.92 C ATOM 485 C VAL A 85 28.765 10.227 3.566 1.00 15.79 C ATOM 486 O VAL A 85 28.730 11.454 3.429 1.00 13.85 O ATOM 487 CB VAL A 85 26.365 9.578 3.955 1.00 15.65 C ATOM 488 CG1 VAL A 85 26.323 9.233 2.481 1.00 15.83 C ATOM 489 CG2 VAL A 85 25.470 8.601 4.739 1.00 15.51 C ATOM 0 H VAL A 85 27.524 10.764 5.942 1.00 15.77 H new ATOM 0 HA VAL A 85 28.043 8.547 4.473 1.00 14.92 H new ATOM 0 HB VAL A 85 26.045 10.487 4.070 1.00 15.65 H new ATOM 0 HG11 VAL A 85 25.411 9.301 2.158 1.00 15.83 H new ATOM 0 HG12 VAL A 85 26.887 9.850 1.988 1.00 15.83 H new ATOM 0 HG13 VAL A 85 26.645 8.327 2.351 1.00 15.83 H new ATOM 0 HG21 VAL A 85 24.560 8.659 4.408 1.00 15.51 H new ATOM 0 HG22 VAL A 85 25.799 7.696 4.623 1.00 15.51 H new ATOM 0 HG23 VAL A 85 25.486 8.832 5.681 1.00 15.51 H new ATOM 490 N LEU A 86 29.693 9.452 2.981 1.00 16.16 N ATOM 491 CA LEU A 86 30.654 9.989 2.066 1.00 18.33 C ATOM 492 C LEU A 86 30.050 10.352 0.697 1.00 19.27 C ATOM 493 O LEU A 86 30.301 11.429 0.157 1.00 18.12 O ATOM 494 CB LEU A 86 31.763 8.967 1.937 1.00 18.73 C ATOM 495 CG LEU A 86 32.975 9.287 1.131 1.00 19.85 C ATOM 496 CD1 LEU A 86 33.686 10.501 1.689 1.00 21.39 C ATOM 497 CD2 LEU A 86 33.892 8.082 1.207 1.00 21.05 C ATOM 0 H LEU A 86 29.766 8.606 3.116 1.00 16.16 H new ATOM 0 HA LEU A 86 30.995 10.829 2.411 1.00 18.33 H new ATOM 0 HB2 LEU A 86 32.061 8.749 2.834 1.00 18.73 H new ATOM 0 HB3 LEU A 86 31.372 8.161 1.564 1.00 18.73 H new ATOM 0 HG LEU A 86 32.725 9.485 0.215 1.00 19.85 H new ATOM 0 HD11 LEU A 86 34.470 10.692 1.151 1.00 21.39 H new ATOM 0 HD12 LEU A 86 33.087 11.264 1.670 1.00 21.39 H new ATOM 0 HD13 LEU A 86 33.956 10.326 2.604 1.00 21.39 H new ATOM 0 HD21 LEU A 86 34.696 8.254 0.692 1.00 21.05 H new ATOM 0 HD22 LEU A 86 34.131 7.915 2.132 1.00 21.05 H new ATOM 0 HD23 LEU A 86 33.437 7.305 0.846 1.00 21.05 H new ATOM 498 N ARG A 87 29.219 9.469 0.144 1.00 19.62 N ATOM 499 CA ARG A 87 28.591 9.733 -1.167 1.00 20.17 C ATOM 500 C ARG A 87 27.183 9.110 -1.183 1.00 17.15 C ATOM 501 O ARG A 87 26.990 8.059 -0.583 1.00 13.64 O ATOM 502 CB ARG A 87 29.462 9.104 -2.275 1.00 22.55 C ATOM 503 CG ARG A 87 28.936 9.284 -3.706 1.00 28.29 C ATOM 504 CD ARG A 87 29.933 8.872 -4.823 1.00 30.10 C ATOM 505 NE ARG A 87 30.803 7.742 -4.430 1.00 33.67 N ATOM 506 CZ ARG A 87 30.892 6.550 -5.049 1.00 32.45 C ATOM 507 NH1 ARG A 87 30.204 6.279 -6.174 1.00 29.48 N ATOM 508 NH2 ARG A 87 31.724 5.621 -4.547 1.00 32.76 N ATOM 0 H ARG A 87 29.003 8.717 0.501 1.00 19.62 H new ATOM 0 HA ARG A 87 28.519 10.688 -1.320 1.00 20.17 H new ATOM 0 HB2 ARG A 87 30.352 9.487 -2.223 1.00 22.55 H new ATOM 0 HB3 ARG A 87 29.551 8.155 -2.096 1.00 22.55 H new ATOM 0 HG2 ARG A 87 28.124 8.763 -3.807 1.00 28.29 H new ATOM 0 HG3 ARG A 87 28.694 10.215 -3.833 1.00 28.29 H new ATOM 0 HD2 ARG A 87 29.436 8.630 -5.620 1.00 30.10 H new ATOM 0 HD3 ARG A 87 30.486 9.635 -5.054 1.00 30.10 H new ATOM 0 HE ARG A 87 31.301 7.858 -3.738 1.00 33.67 H new ATOM 0 HH11 ARG A 87 29.689 6.876 -6.518 1.00 29.48 H new ATOM 0 HH12 ARG A 87 30.279 5.509 -6.549 1.00 29.48 H new ATOM 0 HH21 ARG A 87 32.187 5.794 -3.843 1.00 32.76 H new ATOM 0 HH22 ARG A 87 31.793 4.854 -4.930 1.00 32.76 H new ATOM 509 N ALA A 88 26.266 9.777 -1.884 1.00 14.49 N ATOM 510 CA ALA A 88 24.881 9.353 -2.076 1.00 15.46 C ATOM 511 C ALA A 88 24.730 9.152 -3.538 1.00 14.54 C ATOM 512 O ALA A 88 25.173 9.998 -4.321 1.00 13.15 O ATOM 513 CB ALA A 88 23.908 10.408 -1.609 1.00 15.78 C ATOM 0 H ALA A 88 26.443 10.521 -2.277 1.00 14.49 H new ATOM 0 HA ALA A 88 24.692 8.551 -1.564 1.00 15.46 H new ATOM 0 HB1 ALA A 88 23.000 10.096 -1.750 1.00 15.78 H new ATOM 0 HB2 ALA A 88 24.047 10.581 -0.665 1.00 15.78 H new ATOM 0 HB3 ALA A 88 24.050 11.225 -2.112 1.00 15.78 H new ATOM 514 N VAL A 89 24.241 7.976 -3.918 1.00 14.33 N ATOM 515 CA VAL A 89 24.189 7.603 -5.322 1.00 14.59 C ATOM 516 C VAL A 89 22.761 7.188 -5.645 1.00 13.53 C ATOM 517 O VAL A 89 22.431 5.985 -5.510 1.00 14.18 O ATOM 518 CB VAL A 89 25.135 6.428 -5.673 1.00 15.47 C ATOM 519 CG1 VAL A 89 25.177 6.215 -7.205 1.00 16.04 C ATOM 520 CG2 VAL A 89 26.521 6.602 -5.116 1.00 15.45 C ATOM 0 H VAL A 89 23.935 7.382 -3.377 1.00 14.33 H new ATOM 0 HA VAL A 89 24.477 8.369 -5.843 1.00 14.59 H new ATOM 0 HB VAL A 89 24.771 5.635 -5.250 1.00 15.47 H new ATOM 0 HG11 VAL A 89 25.772 5.478 -7.413 1.00 16.04 H new ATOM 0 HG12 VAL A 89 24.285 6.012 -7.528 1.00 16.04 H new ATOM 0 HG13 VAL A 89 25.500 7.022 -7.635 1.00 16.04 H new ATOM 0 HG21 VAL A 89 27.068 5.841 -5.365 1.00 15.45 H new ATOM 0 HG22 VAL A 89 26.914 7.413 -5.474 1.00 15.45 H new ATOM 0 HG23 VAL A 89 26.476 6.664 -4.149 1.00 15.45 H new ATOM 521 N PRO A 90 21.899 8.148 -6.059 1.00 13.02 N ATOM 522 CA PRO A 90 20.563 7.750 -6.504 1.00 12.04 C ATOM 523 C PRO A 90 20.653 7.066 -7.861 1.00 12.13 C ATOM 524 O PRO A 90 21.586 7.347 -8.633 1.00 12.02 O ATOM 525 CB PRO A 90 19.778 9.087 -6.583 1.00 13.09 C ATOM 526 CG PRO A 90 20.847 10.126 -6.846 1.00 13.50 C ATOM 527 CD PRO A 90 22.117 9.612 -6.197 1.00 13.24 C ATOM 0 HA PRO A 90 20.130 7.115 -5.912 1.00 12.04 H new ATOM 0 HB2 PRO A 90 19.118 9.069 -7.293 1.00 13.09 H new ATOM 0 HB3 PRO A 90 19.302 9.268 -5.758 1.00 13.09 H new ATOM 0 HG2 PRO A 90 20.975 10.256 -7.799 1.00 13.50 H new ATOM 0 HG3 PRO A 90 20.592 10.985 -6.474 1.00 13.50 H new ATOM 0 HD2 PRO A 90 22.895 9.803 -6.744 1.00 13.24 H new ATOM 0 HD3 PRO A 90 22.267 10.030 -5.334 1.00 13.24 H new ATOM 528 N HIS A 91 19.740 6.129 -8.142 1.00 11.76 N ATOM 529 CA HIS A 91 19.746 5.473 -9.415 1.00 11.67 C ATOM 530 C HIS A 91 19.673 6.536 -10.529 1.00 12.39 C ATOM 531 O HIS A 91 18.813 7.389 -10.463 1.00 10.79 O ATOM 532 CB HIS A 91 18.618 4.500 -9.567 1.00 11.73 C ATOM 533 CG HIS A 91 18.771 3.608 -10.744 1.00 11.40 C ATOM 534 ND1 HIS A 91 18.514 4.022 -12.031 1.00 12.42 N ATOM 535 CD2 HIS A 91 19.168 2.323 -10.838 1.00 12.19 C ATOM 536 CE1 HIS A 91 18.764 3.025 -12.867 1.00 12.37 C ATOM 537 NE2 HIS A 91 19.137 1.980 -12.163 1.00 12.12 N ATOM 0 H HIS A 91 19.121 5.872 -7.603 1.00 11.76 H new ATOM 0 HA HIS A 91 20.569 4.964 -9.481 1.00 11.67 H new ATOM 0 HB2 HIS A 91 18.555 3.959 -8.764 1.00 11.73 H new ATOM 0 HB3 HIS A 91 17.784 4.990 -9.646 1.00 11.73 H new ATOM 0 HD2 HIS A 91 19.417 1.771 -10.132 1.00 12.19 H new ATOM 0 HE1 HIS A 91 18.688 3.059 -13.793 1.00 12.37 H new ATOM 0 HE2 HIS A 91 19.330 1.206 -12.483 1.00 12.12 H new ATOM 538 N PRO A 92 20.586 6.472 -11.530 1.00 13.59 N ATOM 539 CA PRO A 92 20.602 7.613 -12.499 1.00 15.38 C ATOM 540 C PRO A 92 19.409 7.700 -13.433 1.00 14.92 C ATOM 541 O PRO A 92 19.253 8.737 -14.058 1.00 15.79 O ATOM 542 CB PRO A 92 21.877 7.345 -13.335 1.00 15.93 C ATOM 543 CG PRO A 92 22.074 5.900 -13.230 1.00 14.93 C ATOM 544 CD PRO A 92 21.623 5.475 -11.869 1.00 13.75 C ATOM 0 HA PRO A 92 20.576 8.452 -12.013 1.00 15.38 H new ATOM 0 HB2 PRO A 92 21.761 7.621 -14.258 1.00 15.93 H new ATOM 0 HB3 PRO A 92 22.639 7.833 -12.986 1.00 15.93 H new ATOM 0 HG2 PRO A 92 21.568 5.437 -13.916 1.00 14.93 H new ATOM 0 HG3 PRO A 92 23.007 5.673 -13.365 1.00 14.93 H new ATOM 0 HD2 PRO A 92 21.265 4.574 -11.875 1.00 13.75 H new ATOM 0 HD3 PRO A 92 22.353 5.486 -11.230 1.00 13.75 H new ATOM 545 N ASP A 93 18.576 6.660 -13.510 1.00 14.51 N ATOM 546 CA ASP A 93 17.341 6.708 -14.290 1.00 16.54 C ATOM 547 C ASP A 93 16.106 7.121 -13.463 1.00 17.27 C ATOM 548 O ASP A 93 15.002 7.236 -14.049 1.00 15.76 O ATOM 549 CB ASP A 93 17.101 5.377 -15.032 1.00 16.00 C ATOM 550 CG ASP A 93 18.186 5.073 -16.050 1.00 18.11 C ATOM 551 OD1 ASP A 93 18.377 5.816 -17.048 1.00 16.23 O ATOM 552 OD2 ASP A 93 18.908 4.099 -15.837 1.00 21.77 O ATOM 0 H ASP A 93 18.712 5.910 -13.112 1.00 14.51 H new ATOM 0 HA ASP A 93 17.465 7.410 -14.948 1.00 16.54 H new ATOM 0 HB2 ASP A 93 17.056 4.654 -14.387 1.00 16.00 H new ATOM 0 HB3 ASP A 93 16.242 5.411 -15.480 1.00 16.00 H new ATOM 553 N SER A 94 16.285 7.317 -12.146 1.00 16.51 N ATOM 554 CA ASER A 94 15.185 7.711 -11.261 0.50 16.47 C ATOM 555 CA BSER A 94 15.187 7.724 -11.265 0.50 18.31 C ATOM 556 C SER A 94 14.747 9.146 -11.604 1.00 18.30 C ATOM 557 O SER A 94 15.564 9.954 -12.029 1.00 16.25 O ATOM 558 CB ASER A 94 15.577 7.572 -9.775 0.50 15.33 C ATOM 559 CB BSER A 94 15.595 7.686 -9.795 0.50 19.15 C ATOM 560 OG ASER A 94 16.693 8.373 -9.413 0.50 12.62 O ATOM 561 OG BSER A 94 14.748 8.547 -9.068 0.50 21.09 O ATOM 0 H ASER A 94 17.042 7.225 -11.748 0.50 16.51 H new ATOM 0 H BSER A 94 17.040 7.218 -11.746 0.50 16.51 H new ATOM 0 HA ASER A 94 14.435 7.113 -11.403 0.50 18.31 H new ATOM 0 HA BSER A 94 14.460 7.097 -11.405 0.50 18.31 H new ATOM 0 HB2ASER A 94 14.818 7.816 -9.222 0.50 19.15 H new ATOM 0 HB2BSER A 94 15.530 6.781 -9.451 0.50 19.15 H new ATOM 0 HB3ASER A 94 15.779 6.642 -9.585 0.50 19.15 H new ATOM 0 HB3BSER A 94 16.520 7.961 -9.696 0.50 19.15 H new ATOM 0 HG ASER A 94 17.337 8.204 -9.925 0.50 21.09 H new ATOM 0 HG BSER A 94 14.076 8.119 -8.800 0.50 21.09 H new ATOM 562 N GLN A 95 13.448 9.423 -11.428 1.00 20.93 N ATOM 563 CA GLN A 95 12.865 10.728 -11.774 1.00 24.91 C ATOM 564 C GLN A 95 11.884 11.074 -10.664 1.00 26.55 C ATOM 565 O GLN A 95 11.170 10.184 -10.183 1.00 28.88 O ATOM 566 CB GLN A 95 12.114 10.700 -13.118 1.00 27.15 C ATOM 567 CG GLN A 95 12.968 10.565 -14.362 1.00 32.32 C ATOM 568 CD GLN A 95 12.162 10.754 -15.651 1.00 36.14 C ATOM 569 OE1 GLN A 95 12.154 11.834 -16.221 1.00 40.86 O ATOM 570 NE2 GLN A 95 11.462 9.719 -16.081 1.00 38.16 N ATOM 0 H GLN A 95 12.882 8.861 -11.106 1.00 20.93 H new ATOM 0 HA GLN A 95 13.575 11.382 -11.863 1.00 24.91 H new ATOM 0 HB2 GLN A 95 11.484 9.962 -13.100 1.00 27.15 H new ATOM 0 HB3 GLN A 95 11.594 11.515 -13.193 1.00 27.15 H new ATOM 0 HG2 GLN A 95 13.683 11.220 -14.332 1.00 32.32 H new ATOM 0 HG3 GLN A 95 13.385 9.689 -14.371 1.00 32.32 H new ATOM 0 HE21 GLN A 95 11.491 8.973 -15.654 1.00 38.16 H new ATOM 0 HE22 GLN A 95 10.977 9.792 -16.788 1.00 38.16 H new ATOM 571 N PRO A 96 11.826 12.352 -10.258 1.00 27.46 N ATOM 572 CA PRO A 96 10.905 12.758 -9.170 1.00 30.30 C ATOM 573 C PRO A 96 9.453 12.252 -9.236 1.00 29.33 C ATOM 574 O PRO A 96 8.887 11.842 -8.202 1.00 29.50 O ATOM 575 CB PRO A 96 10.966 14.292 -9.240 1.00 32.30 C ATOM 576 CG PRO A 96 12.385 14.559 -9.628 1.00 31.11 C ATOM 577 CD PRO A 96 12.737 13.466 -10.630 1.00 30.36 C ATOM 0 HA PRO A 96 11.192 12.356 -8.335 1.00 30.30 H new ATOM 0 HB2 PRO A 96 10.343 14.646 -9.894 1.00 32.30 H new ATOM 0 HB3 PRO A 96 10.745 14.699 -8.388 1.00 32.30 H new ATOM 0 HG2 PRO A 96 12.481 15.440 -10.022 1.00 31.11 H new ATOM 0 HG3 PRO A 96 12.971 14.529 -8.856 1.00 31.11 H new ATOM 0 HD2 PRO A 96 12.591 13.758 -11.543 1.00 30.36 H new ATOM 0 HD3 PRO A 96 13.669 13.204 -10.561 1.00 30.36 H new ATOM 578 N AASP A 97 8.884 12.230 -10.437 0.50 30.21 N ATOM 579 N BASP A 97 8.829 12.254 -10.410 0.50 29.77 N ATOM 580 CA AASP A 97 7.449 11.962 -10.606 0.50 30.91 C ATOM 581 CA BASP A 97 7.380 11.928 -10.483 0.50 29.76 C ATOM 582 C AASP A 97 7.052 10.497 -10.767 0.50 30.04 C ATOM 583 C BASP A 97 7.045 10.482 -10.804 0.50 29.38 C ATOM 584 O AASP A 97 5.876 10.211 -10.982 0.50 30.78 O ATOM 585 O BASP A 97 5.914 10.193 -11.195 0.50 29.50 O ATOM 586 CB AASP A 97 6.927 12.765 -11.804 0.50 32.34 C ATOM 587 CB BASP A 97 6.678 12.829 -11.501 0.50 30.54 C ATOM 588 CG AASP A 97 7.773 12.578 -13.070 0.50 32.13 C ATOM 589 CG BASP A 97 6.013 14.014 -10.859 0.50 29.72 C ATOM 590 OD1AASP A 97 9.031 12.489 -13.010 0.50 30.12 O ATOM 591 OD1BASP A 97 5.622 13.898 -9.683 0.50 27.66 O ATOM 592 OD2AASP A 97 7.145 12.553 -14.146 0.50 34.70 O ATOM 593 OD2BASP A 97 5.859 15.051 -11.542 0.50 33.07 O ATOM 0 H AASP A 97 9.309 12.368 -11.172 0.50 29.77 H new ATOM 0 H BASP A 97 9.202 12.434 -11.164 0.50 29.77 H new ATOM 0 HA AASP A 97 7.041 12.237 -9.770 0.50 29.76 H new ATOM 0 HA BASP A 97 7.059 12.085 -9.581 0.50 29.76 H new ATOM 0 HB2AASP A 97 6.013 12.500 -11.991 0.50 30.54 H new ATOM 0 HB2BASP A 97 7.325 13.139 -12.154 0.50 30.54 H new ATOM 0 HB3AASP A 97 6.907 13.706 -11.571 0.50 30.54 H new ATOM 0 HB3BASP A 97 6.014 12.311 -11.983 0.50 30.54 H new ATOM 594 N THR A 98 8.015 9.575 -10.671 1.00 28.82 N ATOM 595 CA THR A 98 7.790 8.174 -10.939 1.00 26.88 C ATOM 596 C THR A 98 8.319 7.368 -9.769 1.00 25.40 C ATOM 597 O THR A 98 9.163 7.873 -8.950 1.00 24.48 O ATOM 598 CB THR A 98 8.519 7.704 -12.213 1.00 28.70 C ATOM 599 OG1 THR A 98 9.938 7.637 -11.966 1.00 25.58 O ATOM 600 CG2 THR A 98 8.236 8.624 -13.393 1.00 29.02 C ATOM 0 H ATHR A 98 8.824 9.759 -10.445 0.50 28.82 H new ATOM 0 H BTHR A 98 8.817 9.764 -10.423 0.50 28.82 H new ATOM 0 HA THR A 98 6.837 8.044 -11.066 1.00 26.88 H new ATOM 0 HB THR A 98 8.186 6.822 -12.441 1.00 28.70 H new ATOM 0 HG1 THR A 98 10.191 8.344 -11.589 1.00 25.58 H new ATOM 0 HG21 THR A 98 8.708 8.301 -14.176 1.00 29.02 H new ATOM 0 HG22 THR A 98 7.283 8.636 -13.573 1.00 29.02 H new ATOM 0 HG23 THR A 98 8.536 9.522 -13.183 1.00 29.02 H new ATOM 601 N ILE A 99 7.871 6.116 -9.701 1.00 24.23 N ATOM 602 CA ILE A 99 8.504 5.153 -8.761 1.00 23.92 C ATOM 603 C ILE A 99 9.318 4.106 -9.539 1.00 20.35 C ATOM 604 O ILE A 99 9.551 3.021 -9.035 1.00 18.50 O ATOM 605 CB ILE A 99 7.509 4.496 -7.765 1.00 27.46 C ATOM 606 CG1 ILE A 99 6.417 3.706 -8.478 1.00 29.00 C ATOM 607 CG2 ILE A 99 6.878 5.549 -6.855 1.00 31.66 C ATOM 608 CD1 ILE A 99 5.868 2.598 -7.600 1.00 30.53 C ATOM 0 H ILE A 99 7.223 5.800 -10.169 1.00 24.23 H new ATOM 0 HA ILE A 99 9.108 5.666 -8.202 1.00 23.92 H new ATOM 0 HB ILE A 99 8.022 3.873 -7.227 1.00 27.46 H new ATOM 0 HG12 ILE A 99 5.698 4.304 -8.733 1.00 29.00 H new ATOM 0 HG13 ILE A 99 6.773 3.326 -9.296 1.00 29.00 H new ATOM 0 HG21 ILE A 99 6.261 5.119 -6.242 1.00 31.66 H new ATOM 0 HG22 ILE A 99 7.573 6.000 -6.351 1.00 31.66 H new ATOM 0 HG23 ILE A 99 6.398 6.197 -7.394 1.00 31.66 H new ATOM 0 HD11 ILE A 99 5.177 2.116 -8.081 1.00 30.53 H new ATOM 0 HD12 ILE A 99 6.584 1.987 -7.364 1.00 30.53 H new ATOM 0 HD13 ILE A 99 5.491 2.981 -6.793 1.00 30.53 H new ATOM 609 N ASP A 100 9.733 4.415 -10.768 1.00 18.31 N ATOM 610 CA ASP A 100 10.605 3.488 -11.467 1.00 17.96 C ATOM 611 C ASP A 100 12.021 3.697 -10.956 1.00 16.54 C ATOM 612 O ASP A 100 12.435 4.823 -10.620 1.00 16.01 O ATOM 613 CB ASP A 100 10.559 3.697 -12.975 1.00 20.38 C ATOM 614 CG ASP A 100 9.183 3.396 -13.550 1.00 21.98 C ATOM 615 OD1 ASP A 100 8.595 2.340 -13.219 1.00 22.39 O ATOM 616 OD2 ASP A 100 8.706 4.249 -14.299 1.00 24.32 O ATOM 0 H ASP A 100 9.528 5.131 -11.198 1.00 18.31 H new ATOM 0 HA ASP A 100 10.306 2.581 -11.296 1.00 17.96 H new ATOM 0 HB2 ASP A 100 10.802 4.613 -13.181 1.00 20.38 H new ATOM 0 HB3 ASP A 100 11.218 3.126 -13.400 1.00 20.38 H new ATOM 617 N HIS A 101 12.780 2.615 -10.949 1.00 14.79 N ATOM 618 CA HIS A 101 14.208 2.723 -10.627 1.00 14.78 C ATOM 619 C HIS A 101 14.473 3.395 -9.286 1.00 13.09 C ATOM 620 O HIS A 101 15.413 4.156 -9.172 1.00 12.94 O ATOM 621 CB HIS A 101 14.942 3.495 -11.724 1.00 13.82 C ATOM 622 CG HIS A 101 14.469 3.169 -13.096 1.00 15.22 C ATOM 623 ND1 HIS A 101 14.424 1.882 -13.570 1.00 16.84 N ATOM 624 CD2 HIS A 101 14.003 3.962 -14.093 1.00 15.47 C ATOM 625 CE1 HIS A 101 13.960 1.892 -14.806 1.00 16.48 C ATOM 626 NE2 HIS A 101 13.686 3.140 -15.136 1.00 15.57 N ATOM 0 H HIS A 101 12.503 1.820 -11.123 1.00 14.79 H new ATOM 0 HA HIS A 101 14.540 1.814 -10.568 1.00 14.78 H new ATOM 0 HB2 HIS A 101 14.832 4.446 -11.569 1.00 13.82 H new ATOM 0 HB3 HIS A 101 15.891 3.305 -11.663 1.00 13.82 H new ATOM 0 HD2 HIS A 101 13.916 4.888 -14.070 1.00 15.47 H new ATOM 0 HE1 HIS A 101 13.846 1.147 -15.351 1.00 16.48 H new ATOM 0 HE2 HIS A 101 13.359 3.395 -15.889 1.00 15.57 H new ATOM 627 N ASP A 102 13.671 3.067 -8.278 1.00 12.45 N ATOM 628 CA ASP A 102 13.590 3.876 -7.053 1.00 11.97 C ATOM 629 C ASP A 102 14.567 3.312 -5.989 1.00 11.33 C ATOM 630 O ASP A 102 14.147 2.820 -4.906 1.00 11.54 O ATOM 631 CB ASP A 102 12.153 3.830 -6.569 1.00 13.14 C ATOM 632 CG ASP A 102 11.850 4.865 -5.460 1.00 14.77 C ATOM 633 OD1 ASP A 102 12.690 5.736 -5.161 1.00 15.77 O ATOM 634 OD2 ASP A 102 10.741 4.769 -4.894 1.00 16.97 O ATOM 0 H ASP A 102 13.160 2.375 -8.279 1.00 12.45 H new ATOM 0 HA ASP A 102 13.846 4.797 -7.221 1.00 11.97 H new ATOM 0 HB2 ASP A 102 11.560 3.987 -7.320 1.00 13.14 H new ATOM 0 HB3 ASP A 102 11.959 2.940 -6.235 1.00 13.14 H new ATOM 635 N LEU A 103 15.856 3.392 -6.298 1.00 10.25 N ATOM 636 CA LEU A 103 16.909 2.858 -5.469 1.00 9.94 C ATOM 637 C LEU A 103 17.940 3.941 -5.243 1.00 9.47 C ATOM 638 O LEU A 103 18.109 4.862 -6.086 1.00 8.51 O ATOM 639 CB LEU A 103 17.560 1.628 -6.111 1.00 10.61 C ATOM 640 CG LEU A 103 16.650 0.357 -6.146 1.00 11.14 C ATOM 641 CD1 LEU A 103 17.405 -0.805 -6.777 1.00 11.83 C ATOM 642 CD2 LEU A 103 16.091 -0.133 -4.797 1.00 11.17 C ATOM 0 H LEU A 103 16.143 3.769 -7.016 1.00 10.25 H new ATOM 0 HA LEU A 103 16.531 2.573 -4.622 1.00 9.94 H new ATOM 0 HB2 LEU A 103 17.820 1.851 -7.019 1.00 10.61 H new ATOM 0 HB3 LEU A 103 18.373 1.416 -5.626 1.00 10.61 H new ATOM 0 HG LEU A 103 15.883 0.645 -6.665 1.00 11.14 H new ATOM 0 HD11 LEU A 103 16.835 -1.590 -6.795 1.00 11.83 H new ATOM 0 HD12 LEU A 103 17.662 -0.571 -7.683 1.00 11.83 H new ATOM 0 HD13 LEU A 103 18.200 -0.996 -6.255 1.00 11.83 H new ATOM 0 HD21 LEU A 103 15.545 -0.922 -4.940 1.00 11.17 H new ATOM 0 HD22 LEU A 103 16.826 -0.352 -4.203 1.00 11.17 H new ATOM 0 HD23 LEU A 103 15.550 0.566 -4.397 1.00 11.17 H new ATOM 643 N LEU A 104 18.560 3.859 -4.065 1.00 8.88 N ATOM 644 CA LEU A 104 19.580 4.803 -3.588 1.00 9.13 C ATOM 645 C LEU A 104 20.659 4.029 -2.860 1.00 9.04 C ATOM 646 O LEU A 104 20.328 3.224 -1.993 1.00 8.36 O ATOM 647 CB LEU A 104 18.956 5.747 -2.572 1.00 9.71 C ATOM 648 CG LEU A 104 19.855 6.689 -1.751 1.00 10.11 C ATOM 649 CD1 LEU A 104 20.583 7.660 -2.655 1.00 10.94 C ATOM 650 CD2 LEU A 104 19.022 7.462 -0.763 1.00 11.07 C ATOM 0 H LEU A 104 18.394 3.232 -3.501 1.00 8.88 H new ATOM 0 HA LEU A 104 19.940 5.292 -4.344 1.00 9.13 H new ATOM 0 HB2 LEU A 104 18.314 6.299 -3.046 1.00 9.71 H new ATOM 0 HB3 LEU A 104 18.454 5.205 -1.943 1.00 9.71 H new ATOM 0 HG LEU A 104 20.508 6.149 -1.279 1.00 10.11 H new ATOM 0 HD11 LEU A 104 21.143 8.244 -2.119 1.00 10.94 H new ATOM 0 HD12 LEU A 104 21.136 7.167 -3.281 1.00 10.94 H new ATOM 0 HD13 LEU A 104 19.937 8.193 -3.145 1.00 10.94 H new ATOM 0 HD21 LEU A 104 19.594 8.053 -0.249 1.00 11.07 H new ATOM 0 HD22 LEU A 104 18.360 7.987 -1.239 1.00 11.07 H new ATOM 0 HD23 LEU A 104 18.575 6.844 -0.163 1.00 11.07 H new ATOM 651 N LEU A 105 21.943 4.241 -3.191 1.00 8.63 N ATOM 652 CA LEU A 105 22.972 3.635 -2.429 1.00 9.32 C ATOM 653 C LEU A 105 23.731 4.721 -1.662 1.00 10.81 C ATOM 654 O LEU A 105 24.086 5.789 -2.223 1.00 12.38 O ATOM 655 CB LEU A 105 23.884 2.792 -3.279 1.00 9.55 C ATOM 656 CG LEU A 105 23.438 1.349 -3.593 1.00 9.82 C ATOM 657 CD1 LEU A 105 24.160 0.714 -4.796 1.00 9.58 C ATOM 658 CD2 LEU A 105 23.683 0.546 -2.362 1.00 9.59 C ATOM 0 H LEU A 105 22.209 4.729 -3.847 1.00 8.63 H new ATOM 0 HA LEU A 105 22.574 3.023 -1.791 1.00 9.32 H new ATOM 0 HB2 LEU A 105 24.018 3.253 -4.122 1.00 9.55 H new ATOM 0 HB3 LEU A 105 24.747 2.749 -2.839 1.00 9.55 H new ATOM 0 HG LEU A 105 22.502 1.365 -3.845 1.00 9.82 H new ATOM 0 HD11 LEU A 105 23.830 -0.188 -4.933 1.00 9.58 H new ATOM 0 HD12 LEU A 105 23.992 1.243 -5.591 1.00 9.58 H new ATOM 0 HD13 LEU A 105 25.114 0.686 -4.623 1.00 9.58 H new ATOM 0 HD21 LEU A 105 23.415 -0.373 -2.516 1.00 9.59 H new ATOM 0 HD22 LEU A 105 24.627 0.574 -2.140 1.00 9.59 H new ATOM 0 HD23 LEU A 105 23.167 0.914 -1.627 1.00 9.59 H new ATOM 659 N LEU A 106 23.965 4.436 -0.398 1.00 11.11 N ATOM 660 CA LEU A 106 24.696 5.341 0.486 1.00 11.81 C ATOM 661 C LEU A 106 26.019 4.728 0.932 1.00 11.00 C ATOM 662 O LEU A 106 26.032 3.661 1.528 1.00 9.82 O ATOM 663 CB LEU A 106 23.816 5.698 1.667 1.00 12.72 C ATOM 664 CG LEU A 106 22.441 6.274 1.300 1.00 13.39 C ATOM 665 CD1 LEU A 106 21.538 6.369 2.510 1.00 13.42 C ATOM 666 CD2 LEU A 106 22.644 7.686 0.690 1.00 14.76 C ATOM 0 H LEU A 106 23.706 3.709 -0.019 1.00 11.11 H new ATOM 0 HA LEU A 106 24.916 6.153 0.004 1.00 11.81 H new ATOM 0 HB2 LEU A 106 23.685 4.903 2.208 1.00 12.72 H new ATOM 0 HB3 LEU A 106 24.285 6.343 2.219 1.00 12.72 H new ATOM 0 HG LEU A 106 22.015 5.682 0.660 1.00 13.39 H new ATOM 0 HD11 LEU A 106 20.680 6.735 2.246 1.00 13.42 H new ATOM 0 HD12 LEU A 106 21.409 5.485 2.888 1.00 13.42 H new ATOM 0 HD13 LEU A 106 21.945 6.948 3.173 1.00 13.42 H new ATOM 0 HD21 LEU A 106 21.782 8.063 0.453 1.00 14.76 H new ATOM 0 HD22 LEU A 106 23.080 8.260 1.339 1.00 14.76 H new ATOM 0 HD23 LEU A 106 23.197 7.619 -0.104 1.00 14.76 H new ATOM 667 N GLN A 107 27.136 5.385 0.585 1.00 10.82 N ATOM 668 CA GLN A 107 28.450 4.956 1.018 1.00 11.06 C ATOM 669 C GLN A 107 28.784 5.590 2.388 1.00 9.93 C ATOM 670 O GLN A 107 28.924 6.776 2.502 1.00 8.92 O ATOM 671 CB GLN A 107 29.559 5.339 0.002 1.00 11.81 C ATOM 672 CG GLN A 107 30.964 4.792 0.362 1.00 12.52 C ATOM 673 CD GLN A 107 32.057 5.227 -0.655 1.00 13.06 C ATOM 674 OE1 GLN A 107 31.895 6.215 -1.347 1.00 15.19 O ATOM 675 NE2 GLN A 107 33.101 4.437 -0.801 1.00 13.32 N ATOM 0 H GLN A 107 27.141 6.090 0.092 1.00 10.82 H new ATOM 0 HA GLN A 107 28.426 3.989 1.086 1.00 11.06 H new ATOM 0 HB2 GLN A 107 29.309 5.008 -0.875 1.00 11.81 H new ATOM 0 HB3 GLN A 107 29.606 6.306 -0.062 1.00 11.81 H new ATOM 0 HG2 GLN A 107 31.210 5.102 1.248 1.00 12.52 H new ATOM 0 HG3 GLN A 107 30.930 3.823 0.400 1.00 12.52 H new ATOM 0 HE21 GLN A 107 33.190 3.745 -0.298 1.00 13.32 H new ATOM 0 HE22 GLN A 107 33.693 4.613 -1.399 1.00 13.32 H new ATOM 676 N LEU A 108 28.967 4.774 3.420 1.00 10.84 N ATOM 677 CA LEU A 108 29.267 5.294 4.757 1.00 10.65 C ATOM 678 C LEU A 108 30.680 5.865 4.783 1.00 11.29 C ATOM 679 O LEU A 108 31.537 5.489 3.994 1.00 12.37 O ATOM 680 CB LEU A 108 29.091 4.223 5.823 1.00 11.33 C ATOM 681 CG LEU A 108 27.808 3.382 5.817 1.00 11.21 C ATOM 682 CD1 LEU A 108 27.820 2.207 6.818 1.00 11.63 C ATOM 683 CD2 LEU A 108 26.609 4.281 5.980 1.00 10.92 C ATOM 0 H LEU A 108 28.923 3.917 3.371 1.00 10.84 H new ATOM 0 HA LEU A 108 28.638 6.004 4.959 1.00 10.65 H new ATOM 0 HB2 LEU A 108 29.843 3.614 5.755 1.00 11.33 H new ATOM 0 HB3 LEU A 108 29.155 4.656 6.689 1.00 11.33 H new ATOM 0 HG LEU A 108 27.753 2.946 4.952 1.00 11.21 H new ATOM 0 HD11 LEU A 108 26.982 1.723 6.759 1.00 11.63 H new ATOM 0 HD12 LEU A 108 28.554 1.609 6.607 1.00 11.63 H new ATOM 0 HD13 LEU A 108 27.932 2.550 7.718 1.00 11.63 H new ATOM 0 HD21 LEU A 108 25.800 3.746 5.976 1.00 10.92 H new ATOM 0 HD22 LEU A 108 26.675 4.760 6.821 1.00 10.92 H new ATOM 0 HD23 LEU A 108 26.579 4.917 5.248 1.00 10.92 H new ATOM 684 N SER A 109 30.920 6.816 5.667 1.00 12.12 N ATOM 685 CA ASER A 109 32.258 7.440 5.713 0.40 13.06 C ATOM 686 CA BSER A 109 32.244 7.468 5.860 0.60 12.83 C ATOM 687 C SER A 109 33.364 6.442 6.083 1.00 13.86 C ATOM 688 O SER A 109 34.539 6.688 5.791 1.00 12.55 O ATOM 689 CB ASER A 109 32.266 8.642 6.638 0.40 13.35 C ATOM 690 CB BSER A 109 32.184 8.362 7.110 0.60 12.74 C ATOM 691 OG ASER A 109 31.490 9.654 6.045 0.40 13.77 O ATOM 692 OG BSER A 109 31.860 7.593 8.259 0.60 12.20 O ATOM 0 H ASER A 109 30.351 7.116 6.238 0.40 12.12 H new ATOM 0 H BSER A 109 30.313 7.121 6.194 0.60 12.12 H new ATOM 0 HA ASER A 109 32.455 7.747 4.814 0.40 12.83 H new ATOM 0 HA BSER A 109 32.437 7.977 5.057 0.60 12.83 H new ATOM 0 HB2ASER A 109 31.906 8.404 7.506 0.40 12.74 H new ATOM 0 HB2BSER A 109 33.038 8.803 7.240 0.60 12.74 H new ATOM 0 HB3ASER A 109 33.174 8.952 6.783 0.40 12.74 H new ATOM 0 HB3BSER A 109 31.521 9.059 6.984 0.60 12.74 H new ATOM 0 HG ASER A 109 31.591 10.371 6.471 0.40 12.20 H new ATOM 0 HG BSER A 109 31.485 8.084 8.828 0.60 12.20 H new ATOM 693 N GLU A 110 32.991 5.319 6.679 1.00 14.24 N ATOM 694 CA GLU A 110 33.881 4.190 6.914 1.00 16.85 C ATOM 695 C GLU A 110 33.128 2.897 6.902 1.00 16.87 C ATOM 696 O GLU A 110 31.929 2.889 6.996 1.00 13.86 O ATOM 697 CB GLU A 110 34.667 4.329 8.226 1.00 19.98 C ATOM 698 CG GLU A 110 33.853 4.330 9.528 1.00 23.36 C ATOM 699 CD GLU A 110 34.755 4.620 10.759 1.00 27.76 C ATOM 700 OE1 GLU A 110 35.907 5.043 10.606 1.00 29.74 O ATOM 701 OE2 GLU A 110 34.331 4.393 11.887 1.00 34.32 O ATOM 0 H GLU A 110 32.191 5.188 6.966 1.00 14.24 H new ATOM 0 HA GLU A 110 34.522 4.188 6.186 1.00 16.85 H new ATOM 0 HB2 GLU A 110 35.308 3.603 8.272 1.00 19.98 H new ATOM 0 HB3 GLU A 110 35.175 5.154 8.187 1.00 19.98 H new ATOM 0 HG2 GLU A 110 33.153 4.999 9.473 1.00 23.36 H new ATOM 0 HG3 GLU A 110 33.417 3.471 9.640 1.00 23.36 H new ATOM 702 N LYS A 111 33.856 1.791 6.842 1.00 18.22 N ATOM 703 CA LYS A 111 33.239 0.453 6.948 1.00 19.30 C ATOM 704 C LYS A 111 32.563 0.347 8.288 1.00 17.58 C ATOM 705 O LYS A 111 33.155 0.759 9.295 1.00 17.75 O ATOM 706 CB LYS A 111 34.307 -0.648 6.838 1.00 22.20 C ATOM 707 CG LYS A 111 34.783 -0.814 5.412 1.00 26.42 C ATOM 708 CD LYS A 111 36.286 -1.004 5.275 1.00 30.57 C ATOM 709 CE LYS A 111 36.635 -2.434 4.949 1.00 33.97 C ATOM 710 NZ LYS A 111 38.014 -2.561 4.385 1.00 38.09 N ATOM 0 H LYS A 111 34.710 1.782 6.740 1.00 18.22 H new ATOM 0 HA LYS A 111 32.600 0.338 6.227 1.00 19.30 H new ATOM 0 HB2 LYS A 111 35.060 -0.429 7.409 1.00 22.20 H new ATOM 0 HB3 LYS A 111 33.943 -1.488 7.159 1.00 22.20 H new ATOM 0 HG2 LYS A 111 34.333 -1.578 5.018 1.00 26.42 H new ATOM 0 HG3 LYS A 111 34.518 -0.034 4.900 1.00 26.42 H new ATOM 0 HD2 LYS A 111 36.625 -0.420 4.578 1.00 30.57 H new ATOM 0 HD3 LYS A 111 36.723 -0.743 6.101 1.00 30.57 H new ATOM 0 HE2 LYS A 111 36.564 -2.974 5.752 1.00 33.97 H new ATOM 0 HE3 LYS A 111 35.993 -2.786 4.313 1.00 33.97 H new ATOM 0 HZ1 LYS A 111 38.184 -3.416 4.205 1.00 38.09 H new ATOM 0 HZ2 LYS A 111 38.074 -2.083 3.636 1.00 38.09 H new ATOM 0 HZ3 LYS A 111 38.606 -2.259 4.977 1.00 38.09 H new ATOM 711 N ALA A 112 31.355 -0.205 8.318 1.00 15.12 N ATOM 712 CA ALA A 112 30.624 -0.396 9.549 1.00 15.99 C ATOM 713 C ALA A 112 31.287 -1.419 10.455 1.00 15.80 C ATOM 714 O ALA A 112 31.705 -2.474 9.988 1.00 13.98 O ATOM 715 CB ALA A 112 29.199 -0.850 9.293 1.00 15.40 C ATOM 0 H ALA A 112 30.939 -0.479 7.617 1.00 15.12 H new ATOM 0 HA ALA A 112 30.620 0.470 9.986 1.00 15.99 H new ATOM 0 HB1 ALA A 112 28.740 -0.968 10.139 1.00 15.40 H new ATOM 0 HB2 ALA A 112 28.736 -0.181 8.765 1.00 15.40 H new ATOM 0 HB3 ALA A 112 29.209 -1.692 8.811 1.00 15.40 H new ATOM 716 N THR A 113 31.248 -1.141 11.745 1.00 14.58 N ATOM 717 CA THR A 113 31.702 -2.098 12.738 1.00 15.36 C ATOM 718 C THR A 113 30.650 -3.177 12.850 1.00 16.55 C ATOM 719 O THR A 113 29.533 -2.895 13.239 1.00 15.82 O ATOM 720 CB THR A 113 31.854 -1.461 14.130 1.00 16.95 C ATOM 721 OG1 THR A 113 32.751 -0.375 14.040 1.00 17.27 O ATOM 722 CG2 THR A 113 32.413 -2.482 15.145 1.00 17.89 C ATOM 0 H THR A 113 30.960 -0.398 12.070 1.00 14.58 H new ATOM 0 HA THR A 113 32.566 -2.439 12.458 1.00 15.36 H new ATOM 0 HB THR A 113 30.981 -1.164 14.432 1.00 16.95 H new ATOM 0 HG1 THR A 113 32.839 -0.020 14.796 1.00 17.27 H new ATOM 0 HG21 THR A 113 32.501 -2.060 16.014 1.00 17.89 H new ATOM 0 HG22 THR A 113 31.807 -3.237 15.212 1.00 17.89 H new ATOM 0 HG23 THR A 113 33.283 -2.792 14.847 1.00 17.89 H new ATOM 723 N LEU A 114 31.004 -4.403 12.456 1.00 17.43 N ATOM 724 CA LEU A 114 30.049 -5.515 12.426 1.00 16.61 C ATOM 725 C LEU A 114 29.975 -6.252 13.792 1.00 18.19 C ATOM 726 O LEU A 114 30.924 -6.271 14.557 1.00 17.97 O ATOM 727 CB LEU A 114 30.457 -6.501 11.297 1.00 17.75 C ATOM 728 CG LEU A 114 30.433 -5.937 9.830 1.00 17.84 C ATOM 729 CD1 LEU A 114 30.536 -7.023 8.778 1.00 18.63 C ATOM 730 CD2 LEU A 114 29.206 -5.058 9.588 1.00 17.06 C ATOM 0 H LEU A 114 31.798 -4.612 12.201 1.00 17.43 H new ATOM 0 HA LEU A 114 29.165 -5.157 12.250 1.00 16.61 H new ATOM 0 HB2 LEU A 114 31.353 -6.823 11.484 1.00 17.75 H new ATOM 0 HB3 LEU A 114 29.866 -7.269 11.337 1.00 17.75 H new ATOM 0 HG LEU A 114 31.226 -5.385 9.741 1.00 17.84 H new ATOM 0 HD11 LEU A 114 30.517 -6.622 7.895 1.00 18.63 H new ATOM 0 HD12 LEU A 114 31.368 -7.508 8.894 1.00 18.63 H new ATOM 0 HD13 LEU A 114 29.790 -7.635 8.871 1.00 18.63 H new ATOM 0 HD21 LEU A 114 29.220 -4.726 8.677 1.00 17.06 H new ATOM 0 HD22 LEU A 114 28.401 -5.580 9.729 1.00 17.06 H new ATOM 0 HD23 LEU A 114 29.218 -4.309 10.204 1.00 17.06 H new ATOM 731 N GLY A 115 28.867 -6.915 14.039 1.00 17.12 N ATOM 732 CA GLY A 115 28.692 -7.741 15.234 1.00 17.65 C ATOM 733 C GLY A 115 27.318 -8.358 15.219 1.00 17.42 C ATOM 734 O GLY A 115 26.633 -8.252 14.220 1.00 16.12 O ATOM 0 H GLY A 115 28.182 -6.905 13.519 1.00 17.12 H new ATOM 0 HA2 GLY A 115 29.369 -8.435 15.261 1.00 17.65 H new ATOM 0 HA3 GLY A 115 28.806 -7.201 16.032 1.00 17.65 H new ATOM 735 N PRO A 118 26.879 -8.989 16.313 1.00 19.38 N ATOM 736 CA PRO A 118 25.540 -9.605 16.304 1.00 19.61 C ATOM 737 C PRO A 118 24.348 -8.648 16.018 1.00 18.16 C ATOM 738 O PRO A 118 23.296 -9.116 15.593 1.00 17.66 O ATOM 739 CB PRO A 118 25.415 -10.237 17.719 1.00 22.22 C ATOM 740 CG PRO A 118 26.773 -10.177 18.339 1.00 20.79 C ATOM 741 CD PRO A 118 27.555 -9.131 17.622 1.00 21.08 C ATOM 0 HA PRO A 118 25.478 -10.234 15.569 1.00 19.61 H new ATOM 0 HB2 PRO A 118 24.769 -9.752 18.257 1.00 22.22 H new ATOM 0 HB3 PRO A 118 25.104 -11.154 17.660 1.00 22.22 H new ATOM 0 HG2 PRO A 118 26.707 -9.964 19.283 1.00 20.79 H new ATOM 0 HG3 PRO A 118 27.215 -11.038 18.272 1.00 20.79 H new ATOM 0 HD2 PRO A 118 27.555 -8.294 18.111 1.00 21.08 H new ATOM 0 HD3 PRO A 118 28.482 -9.396 17.513 1.00 21.08 H new ATOM 742 N ALA A 119 24.505 -7.341 16.256 1.00 15.73 N ATOM 743 CA ALA A 119 23.473 -6.356 16.002 1.00 14.73 C ATOM 744 C ALA A 119 23.694 -5.498 14.731 1.00 13.71 C ATOM 745 O ALA A 119 22.844 -4.660 14.403 1.00 13.24 O ATOM 746 CB ALA A 119 23.288 -5.449 17.238 1.00 15.06 C ATOM 0 H ALA A 119 25.230 -7.006 16.575 1.00 15.73 H new ATOM 0 HA ALA A 119 22.664 -6.864 15.831 1.00 14.73 H new ATOM 0 HB1 ALA A 119 22.596 -4.794 17.058 1.00 15.06 H new ATOM 0 HB2 ALA A 119 23.030 -5.990 18.001 1.00 15.06 H new ATOM 0 HB3 ALA A 119 24.122 -4.993 17.433 1.00 15.06 H new ATOM 747 N VAL A 120 24.817 -5.703 14.040 1.00 13.07 N ATOM 748 CA VAL A 120 25.111 -5.005 12.782 1.00 12.95 C ATOM 749 C VAL A 120 25.773 -5.998 11.837 1.00 13.54 C ATOM 750 O VAL A 120 26.966 -6.342 11.994 1.00 13.86 O ATOM 751 CB VAL A 120 25.964 -3.751 12.994 1.00 12.67 C ATOM 752 CG1 VAL A 120 26.194 -3.011 11.681 1.00 13.91 C ATOM 753 CG2 VAL A 120 25.267 -2.800 13.961 1.00 12.28 C ATOM 0 H VAL A 120 25.432 -6.251 14.287 1.00 13.07 H new ATOM 0 HA VAL A 120 24.284 -4.682 12.391 1.00 12.95 H new ATOM 0 HB VAL A 120 26.817 -4.038 13.355 1.00 12.67 H new ATOM 0 HG11 VAL A 120 26.736 -2.223 11.844 1.00 13.91 H new ATOM 0 HG12 VAL A 120 26.653 -3.595 11.056 1.00 13.91 H new ATOM 0 HG13 VAL A 120 25.340 -2.744 11.306 1.00 13.91 H new ATOM 0 HG21 VAL A 120 25.814 -2.010 14.089 1.00 12.28 H new ATOM 0 HG22 VAL A 120 24.406 -2.541 13.597 1.00 12.28 H new ATOM 0 HG23 VAL A 120 25.136 -3.244 14.814 1.00 12.28 H new ATOM 754 N ARG A 121 25.009 -6.395 10.839 1.00 13.19 N ATOM 755 CA ARG A 121 25.438 -7.347 9.816 1.00 14.53 C ATOM 756 C ARG A 121 24.718 -7.068 8.493 1.00 13.93 C ATOM 757 O ARG A 121 23.525 -6.836 8.505 1.00 12.65 O ATOM 758 CB ARG A 121 25.116 -8.798 10.251 1.00 15.19 C ATOM 0 H ARG A 121 24.203 -6.115 10.728 1.00 13.19 H new ATOM 0 HA ARG A 121 26.396 -7.245 9.701 1.00 14.53 H new ATOM 759 N PRO A 122 25.415 -7.180 7.349 1.00 14.17 N ATOM 760 CA PRO A 122 24.711 -7.026 6.072 1.00 13.71 C ATOM 761 C PRO A 122 23.813 -8.236 5.728 1.00 13.75 C ATOM 762 O PRO A 122 24.009 -9.378 6.242 1.00 11.28 O ATOM 763 CB PRO A 122 25.839 -6.887 5.018 1.00 14.58 C ATOM 764 CG PRO A 122 27.121 -6.829 5.802 1.00 15.43 C ATOM 765 CD PRO A 122 26.872 -7.330 7.183 1.00 15.03 C ATOM 0 HA PRO A 122 24.112 -6.263 6.102 1.00 13.71 H new ATOM 0 HB2 PRO A 122 25.839 -7.639 4.405 1.00 14.58 H new ATOM 0 HB3 PRO A 122 25.720 -6.086 4.484 1.00 14.58 H new ATOM 0 HG2 PRO A 122 27.802 -7.367 5.369 1.00 15.43 H new ATOM 0 HG3 PRO A 122 27.454 -5.918 5.831 1.00 15.43 H new ATOM 0 HD2 PRO A 122 27.149 -8.254 7.283 1.00 15.03 H new ATOM 0 HD3 PRO A 122 27.361 -6.814 7.843 1.00 15.03 H new ATOM 766 N LEU A 123 22.850 -7.960 4.868 1.00 12.22 N ATOM 767 CA LEU A 123 21.855 -8.930 4.457 1.00 12.98 C ATOM 768 C LEU A 123 22.144 -9.426 3.060 1.00 12.15 C ATOM 769 O LEU A 123 22.336 -8.616 2.160 1.00 10.76 O ATOM 770 CB LEU A 123 20.463 -8.295 4.378 1.00 12.75 C ATOM 771 CG LEU A 123 19.300 -9.281 4.121 1.00 13.50 C ATOM 772 CD1 LEU A 123 19.360 -10.395 5.159 1.00 13.44 C ATOM 773 CD2 LEU A 123 17.938 -8.579 4.235 1.00 14.81 C ATOM 0 H LEU A 123 22.754 -7.189 4.500 1.00 12.22 H new ATOM 0 HA LEU A 123 21.884 -9.645 5.112 1.00 12.98 H new ATOM 0 HB2 LEU A 123 20.291 -7.824 5.209 1.00 12.75 H new ATOM 0 HB3 LEU A 123 20.466 -7.631 3.671 1.00 12.75 H new ATOM 0 HG LEU A 123 19.392 -9.635 3.223 1.00 13.50 H new ATOM 0 HD11 LEU A 123 18.634 -11.019 5.006 1.00 13.44 H new ATOM 0 HD12 LEU A 123 20.207 -10.861 5.085 1.00 13.44 H new ATOM 0 HD13 LEU A 123 19.277 -10.015 6.047 1.00 13.44 H new ATOM 0 HD21 LEU A 123 17.229 -9.220 4.069 1.00 14.81 H new ATOM 0 HD22 LEU A 123 17.838 -8.209 5.126 1.00 14.81 H new ATOM 0 HD23 LEU A 123 17.886 -7.864 3.581 1.00 14.81 H new ATOM 774 N PRO A 124 22.162 -10.772 2.858 1.00 12.26 N ATOM 775 CA PRO A 124 22.340 -11.237 1.494 1.00 12.22 C ATOM 776 C PRO A 124 21.169 -10.817 0.613 1.00 11.96 C ATOM 777 O PRO A 124 20.009 -10.799 1.097 1.00 12.56 O ATOM 778 CB PRO A 124 22.326 -12.774 1.628 1.00 12.69 C ATOM 779 CG PRO A 124 22.788 -13.018 3.005 1.00 13.50 C ATOM 780 CD PRO A 124 22.136 -11.893 3.813 1.00 12.92 C ATOM 0 HA PRO A 124 23.147 -10.878 1.092 1.00 12.22 H new ATOM 0 HB2 PRO A 124 21.437 -13.135 1.483 1.00 12.69 H new ATOM 0 HB3 PRO A 124 22.912 -13.192 0.978 1.00 12.69 H new ATOM 0 HG2 PRO A 124 22.512 -13.892 3.324 1.00 13.50 H new ATOM 0 HG3 PRO A 124 23.756 -12.986 3.067 1.00 13.50 H new ATOM 0 HD2 PRO A 124 21.232 -12.118 4.084 1.00 12.92 H new ATOM 0 HD3 PRO A 124 22.633 -11.692 4.622 1.00 12.92 H new ATOM 781 N TRP A 124A 21.451 -10.435 -0.613 1.00 11.30 N ATOM 782 CA TRP A 124A 20.377 -9.897 -1.462 1.00 12.25 C ATOM 783 C TRP A 124A 20.219 -10.730 -2.742 1.00 12.42 C ATOM 784 O TRP A 124A 21.190 -11.332 -3.238 1.00 11.89 O ATOM 785 CB TRP A 124A 20.582 -8.406 -1.756 1.00 13.15 C ATOM 786 CG TRP A 124A 21.893 -8.049 -2.456 1.00 14.53 C ATOM 787 CD1 TRP A 124A 23.109 -7.800 -1.868 1.00 14.29 C ATOM 788 CD2 TRP A 124A 22.093 -7.894 -3.879 1.00 14.57 C ATOM 789 NE1 TRP A 124A 24.045 -7.532 -2.845 1.00 14.51 N ATOM 790 CE2 TRP A 124A 23.451 -7.585 -4.077 1.00 14.27 C ATOM 791 CE3 TRP A 124A 21.266 -8.031 -4.994 1.00 14.30 C ATOM 792 CZ2 TRP A 124A 23.982 -7.364 -5.338 1.00 14.79 C ATOM 793 CZ3 TRP A 124A 21.790 -7.814 -6.236 1.00 15.49 C ATOM 794 CH2 TRP A 124A 23.159 -7.495 -6.399 1.00 15.18 C ATOM 0 H TRP A 124A 22.229 -10.471 -0.977 1.00 11.30 H new ATOM 0 HA TRP A 124A 19.543 -9.967 -0.971 1.00 12.25 H new ATOM 0 HB2 TRP A 124A 19.845 -8.096 -2.305 1.00 13.15 H new ATOM 0 HB3 TRP A 124A 20.537 -7.918 -0.919 1.00 13.15 H new ATOM 0 HD1 TRP A 124A 23.275 -7.810 -0.953 1.00 14.29 H new ATOM 0 HE1 TRP A 124A 24.875 -7.358 -2.702 1.00 14.51 H new ATOM 0 HE3 TRP A 124A 20.372 -8.266 -4.893 1.00 14.30 H new ATOM 0 HZ2 TRP A 124A 24.876 -7.133 -5.449 1.00 14.79 H new ATOM 0 HZ3 TRP A 124A 21.241 -7.877 -6.984 1.00 15.49 H new ATOM 0 HH2 TRP A 124A 23.499 -7.373 -7.256 1.00 15.18 H new ATOM 795 N GLN A 125 18.968 -10.811 -3.204 1.00 12.27 N ATOM 796 CA GLN A 125 18.606 -11.715 -4.308 1.00 13.48 C ATOM 797 C GLN A 125 19.209 -11.293 -5.645 1.00 14.93 C ATOM 798 O GLN A 125 19.021 -10.158 -6.106 1.00 12.09 O ATOM 799 CB GLN A 125 17.090 -11.779 -4.451 1.00 12.58 C ATOM 800 CG GLN A 125 16.608 -12.739 -5.560 1.00 13.00 C ATOM 801 CD GLN A 125 16.901 -14.185 -5.169 1.00 13.43 C ATOM 802 OE1 GLN A 125 17.863 -14.814 -5.672 1.00 14.48 O ATOM 803 NE2 GLN A 125 16.087 -14.706 -4.267 1.00 13.30 N ATOM 0 H GLN A 125 18.311 -10.351 -2.893 1.00 12.27 H new ATOM 0 HA GLN A 125 18.969 -12.586 -4.082 1.00 13.48 H new ATOM 0 HB2 GLN A 125 16.705 -12.057 -3.605 1.00 12.58 H new ATOM 0 HB3 GLN A 125 16.753 -10.889 -4.637 1.00 12.58 H new ATOM 0 HG2 GLN A 125 15.656 -12.623 -5.706 1.00 13.00 H new ATOM 0 HG3 GLN A 125 17.052 -12.527 -6.396 1.00 13.00 H new ATOM 0 HE21 GLN A 125 15.440 -14.237 -3.950 1.00 13.30 H new ATOM 0 HE22 GLN A 125 16.204 -15.514 -3.998 1.00 13.30 H new ATOM 804 N ARG A 126 19.847 -12.268 -6.299 1.00 17.89 N ATOM 805 CA ARG A 126 20.411 -12.088 -7.604 1.00 20.34 C ATOM 806 C ARG A 126 19.756 -12.940 -8.684 1.00 19.53 C ATOM 807 O ARG A 126 20.005 -12.692 -9.845 1.00 22.44 O ATOM 808 CB ARG A 126 21.894 -12.377 -7.563 1.00 24.72 C ATOM 809 CG ARG A 126 22.632 -11.327 -6.760 1.00 25.64 C ATOM 810 CD ARG A 126 23.406 -12.059 -5.689 1.00 31.25 C ATOM 811 NE ARG A 126 24.287 -11.225 -4.868 1.00 31.32 N ATOM 812 CZ ARG A 126 25.321 -10.560 -5.333 1.00 30.06 C ATOM 813 NH1 ARG A 126 25.589 -10.481 -6.646 1.00 33.67 N ATOM 814 NH2 ARG A 126 26.050 -9.889 -4.464 1.00 31.31 N ATOM 0 H ARG A 126 19.957 -13.058 -5.979 1.00 17.89 H new ATOM 0 HA ARG A 126 20.245 -11.163 -7.846 1.00 20.34 H new ATOM 0 HB2 ARG A 126 22.045 -13.252 -7.173 1.00 24.72 H new ATOM 0 HB3 ARG A 126 22.246 -12.404 -8.466 1.00 24.72 H new ATOM 0 HG2 ARG A 126 23.230 -10.817 -7.328 1.00 25.64 H new ATOM 0 HG3 ARG A 126 22.010 -10.697 -6.364 1.00 25.64 H new ATOM 0 HD2 ARG A 126 22.775 -12.508 -5.105 1.00 31.25 H new ATOM 0 HD3 ARG A 126 23.941 -12.749 -6.112 1.00 31.25 H new ATOM 0 HE ARG A 126 24.117 -11.167 -4.027 1.00 31.32 H new ATOM 0 HH11 ARG A 126 25.076 -10.873 -7.214 1.00 33.67 H new ATOM 0 HH12 ARG A 126 26.274 -10.038 -6.919 1.00 33.67 H new ATOM 0 HH21 ARG A 126 25.841 -9.898 -3.630 1.00 31.31 H new ATOM 0 HH22 ARG A 126 26.734 -9.442 -4.731 1.00 31.31 H new ATOM 815 N VAL A 127 18.876 -13.862 -8.329 1.00 20.05 N ATOM 816 CA VAL A 127 18.126 -14.592 -9.331 1.00 19.22 C ATOM 817 C VAL A 127 16.932 -13.739 -9.758 1.00 17.56 C ATOM 818 O VAL A 127 16.026 -13.535 -8.968 1.00 15.71 O ATOM 819 CB VAL A 127 17.652 -15.972 -8.817 1.00 21.43 C ATOM 820 CG1 VAL A 127 16.940 -16.726 -9.956 1.00 22.25 C ATOM 821 CG2 VAL A 127 18.826 -16.807 -8.270 1.00 23.01 C ATOM 0 H VAL A 127 18.699 -14.079 -7.516 1.00 20.05 H new ATOM 0 HA VAL A 127 18.706 -14.765 -10.089 1.00 19.22 H new ATOM 0 HB VAL A 127 17.032 -15.830 -8.084 1.00 21.43 H new ATOM 0 HG11 VAL A 127 16.642 -17.592 -9.635 1.00 22.25 H new ATOM 0 HG12 VAL A 127 16.174 -16.212 -10.255 1.00 22.25 H new ATOM 0 HG13 VAL A 127 17.555 -16.850 -10.696 1.00 22.25 H new ATOM 0 HG21 VAL A 127 18.496 -17.664 -7.957 1.00 23.01 H new ATOM 0 HG22 VAL A 127 19.477 -16.950 -8.974 1.00 23.01 H new ATOM 0 HG23 VAL A 127 19.245 -16.334 -7.534 1.00 23.01 H new ATOM 822 N ASP A 128 16.923 -13.254 -11.005 1.00 16.67 N ATOM 823 CA ASP A 128 15.806 -12.438 -11.514 1.00 17.27 C ATOM 824 C ASP A 128 14.586 -13.308 -11.923 1.00 18.04 C ATOM 825 O ASP A 128 14.255 -13.395 -13.092 1.00 16.72 O ATOM 826 CB ASP A 128 16.300 -11.574 -12.684 1.00 16.89 C ATOM 827 CG ASP A 128 15.373 -10.399 -13.007 1.00 18.98 C ATOM 828 OD1 ASP A 128 14.411 -10.143 -12.277 1.00 20.89 O ATOM 829 OD2 ASP A 128 15.608 -9.706 -14.019 1.00 18.61 O ATOM 0 H ASP A 128 17.554 -13.385 -11.574 1.00 16.67 H new ATOM 0 HA ASP A 128 15.497 -11.859 -10.800 1.00 17.27 H new ATOM 0 HB2 ASP A 128 17.183 -11.232 -12.474 1.00 16.89 H new ATOM 0 HB3 ASP A 128 16.391 -12.131 -13.473 1.00 16.89 H new ATOM 830 N ARG A 129 13.925 -13.905 -10.938 1.00 19.49 N ATOM 831 CA ARG A 129 12.674 -14.628 -11.118 1.00 20.95 C ATOM 832 C ARG A 129 11.746 -14.389 -9.898 1.00 20.65 C ATOM 833 O ARG A 129 12.216 -14.137 -8.817 1.00 21.77 O ATOM 834 CB ARG A 129 12.955 -16.117 -11.322 1.00 24.29 C ATOM 835 CG ARG A 129 13.554 -16.518 -12.682 1.00 27.61 C ATOM 836 CD ARG A 129 13.600 -18.057 -12.876 1.00 31.37 C ATOM 837 NE ARG A 129 14.240 -18.835 -11.767 1.00 34.54 N ATOM 838 CZ ARG A 129 15.513 -19.274 -11.726 1.00 36.05 C ATOM 839 NH1 ARG A 129 16.389 -19.025 -12.693 1.00 35.53 N ATOM 840 NH2 ARG A 129 15.933 -19.986 -10.680 1.00 42.44 N ATOM 0 H ARG A 129 14.201 -13.900 -10.123 1.00 19.49 H new ATOM 0 HA ARG A 129 12.221 -14.298 -11.910 1.00 20.95 H new ATOM 0 HB2 ARG A 129 13.561 -16.411 -10.624 1.00 24.29 H new ATOM 0 HB3 ARG A 129 12.125 -16.603 -11.200 1.00 24.29 H new ATOM 0 HG2 ARG A 129 13.029 -16.120 -13.394 1.00 27.61 H new ATOM 0 HG3 ARG A 129 14.452 -16.158 -12.756 1.00 27.61 H new ATOM 0 HD2 ARG A 129 12.692 -18.379 -12.992 1.00 31.37 H new ATOM 0 HD3 ARG A 129 14.076 -18.248 -13.699 1.00 31.37 H new ATOM 0 HE ARG A 129 13.745 -19.020 -11.088 1.00 34.54 H new ATOM 0 HH11 ARG A 129 16.152 -18.566 -13.381 1.00 35.53 H new ATOM 0 HH12 ARG A 129 17.194 -19.322 -12.631 1.00 35.53 H new ATOM 0 HH21 ARG A 129 15.392 -20.163 -10.035 1.00 42.44 H new ATOM 0 HH22 ARG A 129 16.745 -20.268 -10.650 1.00 42.44 H new ATOM 841 N ASP A 129A 10.430 -14.458 -10.088 1.00 20.16 N ATOM 842 CA ASP A 129A 9.496 -14.054 -9.043 1.00 21.00 C ATOM 843 C ASP A 129A 9.432 -15.044 -7.932 1.00 21.32 C ATOM 844 O ASP A 129A 9.557 -16.235 -8.143 1.00 25.60 O ATOM 845 CB ASP A 129A 8.035 -13.911 -9.542 1.00 19.45 C ATOM 846 CG ASP A 129A 7.796 -12.647 -10.328 1.00 20.20 C ATOM 847 OD1 ASP A 129A 8.346 -11.586 -9.978 1.00 20.62 O ATOM 848 OD2 ASP A 129A 6.999 -12.697 -11.312 1.00 21.34 O ATOM 0 H ASP A 129A 10.060 -14.735 -10.813 1.00 20.16 H new ATOM 0 HA ASP A 129A 9.844 -13.198 -8.748 1.00 21.00 H new ATOM 0 HB2 ASP A 129A 7.812 -14.676 -10.095 1.00 19.45 H new ATOM 0 HB3 ASP A 129A 7.436 -13.929 -8.779 1.00 19.45 H new ATOM 849 N VAL A 130 9.163 -14.516 -6.757 1.00 22.66 N ATOM 850 CA VAL A 130 8.875 -15.313 -5.558 1.00 24.54 C ATOM 851 C VAL A 130 7.477 -15.961 -5.731 1.00 23.22 C ATOM 852 O VAL A 130 6.656 -15.479 -6.516 1.00 26.73 O ATOM 853 CB VAL A 130 9.007 -14.337 -4.355 1.00 27.71 C ATOM 854 CG1 VAL A 130 8.450 -14.875 -3.072 1.00 30.35 C ATOM 855 CG2 VAL A 130 10.480 -13.987 -4.151 1.00 27.86 C ATOM 0 H VAL A 130 9.139 -13.667 -6.619 1.00 22.66 H new ATOM 0 HA VAL A 130 9.484 -16.052 -5.406 1.00 24.54 H new ATOM 0 HB VAL A 130 8.482 -13.553 -4.578 1.00 27.71 H new ATOM 0 HG11 VAL A 130 8.565 -14.218 -2.368 1.00 30.35 H new ATOM 0 HG12 VAL A 130 7.506 -15.066 -3.184 1.00 30.35 H new ATOM 0 HG13 VAL A 130 8.918 -15.690 -2.832 1.00 30.35 H new ATOM 0 HG21 VAL A 130 10.567 -13.378 -3.401 1.00 27.86 H new ATOM 0 HG22 VAL A 130 10.983 -14.796 -3.970 1.00 27.86 H new ATOM 0 HG23 VAL A 130 10.826 -13.564 -4.952 1.00 27.86 H new ATOM 856 N ALA A 131 7.188 -17.039 -5.038 1.00 20.37 N ATOM 857 CA ALA A 131 5.878 -17.675 -5.173 1.00 19.48 C ATOM 858 C ALA A 131 4.824 -16.747 -4.639 1.00 18.87 C ATOM 859 O ALA A 131 5.076 -16.052 -3.660 1.00 17.67 O ATOM 860 CB ALA A 131 5.833 -19.014 -4.450 1.00 19.68 C ATOM 0 H ALA A 131 7.724 -17.423 -4.486 1.00 20.37 H new ATOM 0 HA ALA A 131 5.710 -17.851 -6.112 1.00 19.48 H new ATOM 0 HB1 ALA A 131 4.954 -19.410 -4.557 1.00 19.68 H new ATOM 0 HB2 ALA A 131 6.503 -19.607 -4.825 1.00 19.68 H new ATOM 0 HB3 ALA A 131 6.013 -18.879 -3.507 1.00 19.68 H new ATOM 861 N PRO A 132 3.620 -16.715 -5.278 1.00 21.47 N ATOM 862 CA PRO A 132 2.507 -15.935 -4.704 1.00 19.12 C ATOM 863 C PRO A 132 2.242 -16.429 -3.297 1.00 16.65 C ATOM 864 O PRO A 132 2.429 -17.604 -3.014 1.00 13.85 O ATOM 865 CB PRO A 132 1.324 -16.266 -5.639 1.00 21.69 C ATOM 866 CG PRO A 132 1.954 -16.758 -6.879 1.00 23.66 C ATOM 867 CD PRO A 132 3.138 -17.547 -6.388 1.00 22.70 C ATOM 0 HA PRO A 132 2.674 -14.981 -4.645 1.00 19.12 H new ATOM 0 HB2 PRO A 132 0.743 -16.937 -5.248 1.00 21.69 H new ATOM 0 HB3 PRO A 132 0.778 -15.482 -5.808 1.00 21.69 H new ATOM 0 HG2 PRO A 132 1.345 -17.311 -7.393 1.00 23.66 H new ATOM 0 HG3 PRO A 132 2.227 -16.027 -7.455 1.00 23.66 H new ATOM 0 HD2 PRO A 132 2.885 -18.436 -6.092 1.00 22.70 H new ATOM 0 HD3 PRO A 132 3.811 -17.658 -7.077 1.00 22.70 H new ATOM 868 N GLY A 133 1.893 -15.530 -2.395 1.00 14.14 N ATOM 869 CA GLY A 133 1.668 -15.904 -1.027 1.00 15.76 C ATOM 870 C GLY A 133 2.866 -16.054 -0.109 1.00 13.82 C ATOM 871 O GLY A 133 2.667 -16.180 1.059 1.00 13.19 O ATOM 0 H GLY A 133 1.782 -14.694 -2.562 1.00 14.14 H new ATOM 0 HA2 GLY A 133 1.077 -15.243 -0.634 1.00 15.76 H new ATOM 0 HA3 GLY A 133 1.190 -16.748 -1.027 1.00 15.76 H new ATOM 872 N THR A 134 4.095 -16.025 -0.628 1.00 14.43 N ATOM 873 CA THR A 134 5.312 -16.133 0.194 1.00 14.27 C ATOM 874 C THR A 134 5.260 -15.068 1.255 1.00 14.14 C ATOM 875 O THR A 134 4.952 -13.901 0.963 1.00 12.44 O ATOM 876 CB THR A 134 6.602 -15.932 -0.612 1.00 15.78 C ATOM 877 OG1 THR A 134 6.650 -16.876 -1.682 1.00 15.74 O ATOM 878 CG2 THR A 134 7.864 -16.019 0.277 1.00 15.76 C ATOM 0 H THR A 134 4.250 -15.942 -1.470 1.00 14.43 H new ATOM 0 HA THR A 134 5.332 -17.029 0.565 1.00 14.27 H new ATOM 0 HB THR A 134 6.592 -15.036 -0.983 1.00 15.78 H new ATOM 0 HG1 THR A 134 6.162 -16.610 -2.312 1.00 15.74 H new ATOM 0 HG21 THR A 134 8.655 -15.887 -0.269 1.00 15.76 H new ATOM 0 HG22 THR A 134 7.826 -15.333 0.961 1.00 15.76 H new ATOM 0 HG23 THR A 134 7.904 -16.892 0.698 1.00 15.76 H new ATOM 879 N LEU A 135 5.532 -15.475 2.483 1.00 14.72 N ATOM 880 CA LEU A 135 5.424 -14.609 3.638 1.00 17.19 C ATOM 881 C LEU A 135 6.741 -13.843 3.823 1.00 15.77 C ATOM 882 O LEU A 135 7.737 -14.460 4.101 1.00 17.49 O ATOM 883 CB LEU A 135 5.093 -15.390 4.947 1.00 20.10 C ATOM 884 CG LEU A 135 3.735 -15.271 5.648 1.00 25.43 C ATOM 885 CD1 LEU A 135 3.817 -15.672 7.133 1.00 25.32 C ATOM 886 CD2 LEU A 135 3.018 -13.903 5.486 1.00 25.82 C ATOM 0 H LEU A 135 5.788 -16.274 2.670 1.00 14.72 H new ATOM 0 HA LEU A 135 4.689 -13.997 3.473 1.00 17.19 H new ATOM 0 HB2 LEU A 135 5.224 -16.331 4.751 1.00 20.10 H new ATOM 0 HB3 LEU A 135 5.766 -15.140 5.599 1.00 20.10 H new ATOM 0 HG LEU A 135 3.175 -15.907 5.176 1.00 25.43 H new ATOM 0 HD11 LEU A 135 2.941 -15.584 7.541 1.00 25.32 H new ATOM 0 HD12 LEU A 135 4.115 -16.592 7.204 1.00 25.32 H new ATOM 0 HD13 LEU A 135 4.446 -15.093 7.591 1.00 25.32 H new ATOM 0 HD21 LEU A 135 2.172 -13.922 5.961 1.00 25.82 H new ATOM 0 HD22 LEU A 135 3.577 -13.199 5.851 1.00 25.82 H new ATOM 0 HD23 LEU A 135 2.856 -13.732 4.545 1.00 25.82 H new ATOM 887 N CYS A 136 6.718 -12.514 3.676 1.00 13.51 N ATOM 888 CA CYS A 136 7.932 -11.716 3.692 1.00 12.88 C ATOM 889 C CYS A 136 7.826 -10.754 4.852 1.00 13.16 C ATOM 890 O CYS A 136 6.750 -10.439 5.250 1.00 12.59 O ATOM 891 CB CYS A 136 8.059 -10.947 2.377 1.00 12.74 C ATOM 892 SG CYS A 136 8.253 -12.139 1.004 1.00 13.34 S ATOM 0 H CYS A 136 5.997 -12.058 3.565 1.00 13.51 H new ATOM 0 HA CYS A 136 8.716 -12.279 3.791 1.00 12.88 H new ATOM 0 HB2 CYS A 136 7.273 -10.397 2.234 1.00 12.74 H new ATOM 0 HB3 CYS A 136 8.822 -10.349 2.411 1.00 12.74 H new ATOM 893 N ASP A 137 8.957 -10.337 5.401 1.00 13.04 N ATOM 894 CA ASP A 137 8.966 -9.447 6.563 1.00 13.24 C ATOM 895 C ASP A 137 9.359 -8.061 6.120 1.00 12.35 C ATOM 896 O ASP A 137 10.402 -7.914 5.444 1.00 12.48 O ATOM 897 CB ASP A 137 10.013 -9.953 7.566 1.00 15.39 C ATOM 898 CG ASP A 137 10.068 -9.119 8.793 1.00 16.32 C ATOM 899 OD1 ASP A 137 9.263 -9.344 9.714 1.00 20.58 O ATOM 900 OD2 ASP A 137 10.890 -8.188 8.807 1.00 19.85 O ATOM 0 H ASP A 137 9.738 -10.557 5.117 1.00 13.04 H new ATOM 0 HA ASP A 137 8.086 -9.430 6.971 1.00 13.24 H new ATOM 0 HB2 ASP A 137 9.808 -10.869 7.809 1.00 15.39 H new ATOM 0 HB3 ASP A 137 10.886 -9.960 7.143 1.00 15.39 H new ATOM 901 N AVAL A 138 8.563 -7.056 6.480 0.50 11.63 N ATOM 902 N BVAL A 138 8.548 -7.070 6.503 0.50 11.49 N ATOM 903 CA AVAL A 138 8.971 -5.662 6.291 0.50 11.71 C ATOM 904 CA BVAL A 138 8.847 -5.644 6.319 0.50 11.49 C ATOM 905 C AVAL A 138 8.982 -4.943 7.629 0.50 11.75 C ATOM 906 C BVAL A 138 9.045 -5.051 7.713 0.50 11.59 C ATOM 907 O AVAL A 138 8.027 -5.044 8.407 0.50 11.14 O ATOM 908 O BVAL A 138 8.307 -5.397 8.640 0.50 10.75 O ATOM 909 CB AVAL A 138 8.110 -4.901 5.293 0.50 11.82 C ATOM 910 CB BVAL A 138 7.714 -4.923 5.586 0.50 11.57 C ATOM 911 CG1AVAL A 138 6.701 -4.760 5.804 0.50 12.02 C ATOM 912 CG1BVAL A 138 7.976 -3.422 5.491 0.50 11.90 C ATOM 913 CG2AVAL A 138 8.701 -3.528 5.051 0.50 12.24 C ATOM 914 CG2BVAL A 138 7.517 -5.547 4.208 0.50 11.60 C ATOM 0 H AVAL A 138 7.786 -7.158 6.834 0.50 11.49 H new ATOM 0 H BVAL A 138 7.791 -7.211 6.886 0.50 11.49 H new ATOM 0 HA AVAL A 138 9.864 -5.685 5.913 0.50 11.49 H new ATOM 0 HA BVAL A 138 9.642 -5.535 5.774 0.50 11.49 H new ATOM 0 HB AVAL A 138 8.090 -5.399 4.461 0.50 11.57 H new ATOM 0 HB BVAL A 138 6.895 -5.031 6.095 0.50 11.57 H new ATOM 0 HG11AVAL A 138 6.169 -4.273 5.156 0.50 11.90 H new ATOM 0 HG11BVAL A 138 7.242 -2.994 5.022 0.50 11.90 H new ATOM 0 HG12AVAL A 138 6.317 -5.640 5.942 0.50 11.90 H new ATOM 0 HG12BVAL A 138 8.050 -3.049 6.383 0.50 11.90 H new ATOM 0 HG13AVAL A 138 6.708 -4.276 6.644 0.50 11.90 H new ATOM 0 HG13BVAL A 138 8.802 -3.268 5.007 0.50 11.90 H new ATOM 0 HG21AVAL A 138 8.150 -3.046 4.415 0.50 11.60 H new ATOM 0 HG21BVAL A 138 6.798 -5.089 3.745 0.50 11.60 H new ATOM 0 HG22AVAL A 138 8.733 -3.037 5.887 0.50 11.60 H new ATOM 0 HG22BVAL A 138 8.336 -5.465 3.695 0.50 11.60 H new ATOM 0 HG23AVAL A 138 9.599 -3.620 4.696 0.50 11.60 H new ATOM 0 HG23BVAL A 138 7.291 -6.485 4.307 0.50 11.60 H new ATOM 915 N ALA A 139 10.084 -4.232 7.858 1.00 11.86 N ATOM 916 CA ALA A 139 10.347 -3.518 9.087 1.00 12.19 C ATOM 917 C ALA A 139 10.561 -2.036 8.853 1.00 12.15 C ATOM 918 O ALA A 139 11.087 -1.611 7.816 1.00 12.01 O ATOM 919 CB ALA A 139 11.572 -4.129 9.773 1.00 12.59 C ATOM 0 H AALA A 139 10.715 -4.154 7.279 0.50 11.86 H new ATOM 0 H BALA A 139 10.657 -4.079 7.236 0.50 11.86 H new ATOM 0 HA ALA A 139 9.568 -3.605 9.658 1.00 12.19 H new ATOM 0 HB1 ALA A 139 11.752 -3.653 10.599 1.00 12.59 H new ATOM 0 HB2 ALA A 139 11.400 -5.063 9.970 1.00 12.59 H new ATOM 0 HB3 ALA A 139 12.341 -4.059 9.186 1.00 12.59 H new ATOM 920 N GLY A 140 10.186 -1.220 9.861 1.00 11.97 N ATOM 921 CA GLY A 140 10.474 0.208 9.796 1.00 11.52 C ATOM 922 C GLY A 140 10.013 1.092 10.928 1.00 11.54 C ATOM 923 O GLY A 140 9.286 0.652 11.846 1.00 11.51 O ATOM 0 H GLY A 140 9.774 -1.477 10.571 1.00 11.97 H new ATOM 0 HA2 GLY A 140 11.435 0.311 9.715 1.00 11.52 H new ATOM 0 HA3 GLY A 140 10.082 0.550 8.977 1.00 11.52 H new ATOM 924 N TRP A 141 10.518 2.330 10.880 1.00 10.87 N ATOM 925 CA TRP A 141 10.135 3.385 11.815 1.00 10.46 C ATOM 926 C TRP A 141 9.091 4.330 11.174 1.00 10.72 C ATOM 927 O TRP A 141 8.906 5.464 11.614 1.00 10.54 O ATOM 928 CB TRP A 141 11.361 4.152 12.268 1.00 9.54 C ATOM 929 CG TRP A 141 12.267 3.400 13.134 1.00 9.76 C ATOM 930 CD1 TRP A 141 12.198 3.321 14.509 1.00 9.95 C ATOM 931 CD2 TRP A 141 13.456 2.696 12.749 1.00 8.88 C ATOM 932 NE1 TRP A 141 13.252 2.609 14.976 1.00 10.09 N ATOM 933 CE2 TRP A 141 14.057 2.233 13.931 1.00 9.86 C ATOM 934 CE3 TRP A 141 14.095 2.447 11.531 1.00 8.76 C ATOM 935 CZ2 TRP A 141 15.226 1.449 13.920 1.00 9.62 C ATOM 936 CZ3 TRP A 141 15.248 1.705 11.512 1.00 8.85 C ATOM 937 CH2 TRP A 141 15.832 1.227 12.712 1.00 9.46 C ATOM 0 H TRP A 141 11.098 2.579 10.296 1.00 10.87 H new ATOM 0 HA TRP A 141 9.726 2.978 12.595 1.00 10.46 H new ATOM 0 HB2 TRP A 141 11.852 4.445 11.484 1.00 9.54 H new ATOM 0 HB3 TRP A 141 11.073 4.950 12.738 1.00 9.54 H new ATOM 0 HD1 TRP A 141 11.530 3.699 15.035 1.00 9.95 H new ATOM 0 HE1 TRP A 141 13.395 2.421 15.803 1.00 10.09 H new ATOM 0 HE3 TRP A 141 13.741 2.782 10.739 1.00 8.76 H new ATOM 0 HZ2 TRP A 141 15.575 1.094 14.706 1.00 9.62 H new ATOM 0 HZ3 TRP A 141 15.654 1.512 10.698 1.00 8.85 H new ATOM 0 HH2 TRP A 141 16.634 0.758 12.679 1.00 9.46 H new ATOM 938 N GLY A 142 8.411 3.869 10.116 1.00 11.78 N ATOM 939 CA GLY A 142 7.404 4.692 9.460 1.00 11.73 C ATOM 940 C GLY A 142 6.210 4.942 10.365 1.00 11.89 C ATOM 941 O GLY A 142 6.141 4.383 11.469 1.00 10.93 O ATOM 0 H GLY A 142 8.521 3.089 9.770 1.00 11.78 H new ATOM 0 HA2 GLY A 142 7.797 5.540 9.200 1.00 11.73 H new ATOM 0 HA3 GLY A 142 7.108 4.255 8.646 1.00 11.73 H new ATOM 942 N ILE A 143 5.279 5.782 9.884 1.00 12.16 N ATOM 943 CA ILE A 143 4.035 6.064 10.643 1.00 13.27 C ATOM 944 C ILE A 143 3.183 4.809 10.924 1.00 13.38 C ATOM 945 O ILE A 143 3.221 3.779 10.192 1.00 11.94 O ATOM 946 CB ILE A 143 3.183 7.206 10.067 1.00 12.87 C ATOM 947 CG1 ILE A 143 2.532 6.795 8.731 1.00 13.94 C ATOM 948 CG2 ILE A 143 4.011 8.454 9.839 1.00 13.81 C ATOM 949 CD1 ILE A 143 1.598 7.858 8.144 1.00 14.25 C ATOM 0 H ILE A 143 5.342 6.195 9.132 1.00 12.16 H new ATOM 0 HA ILE A 143 4.362 6.381 11.500 1.00 13.27 H new ATOM 0 HB ILE A 143 2.492 7.395 10.721 1.00 12.87 H new ATOM 0 HG12 ILE A 143 3.231 6.600 8.087 1.00 13.94 H new ATOM 0 HG13 ILE A 143 2.031 5.975 8.864 1.00 13.94 H new ATOM 0 HG21 ILE A 143 3.447 9.155 9.476 1.00 13.81 H new ATOM 0 HG22 ILE A 143 4.391 8.749 10.681 1.00 13.81 H new ATOM 0 HG23 ILE A 143 4.726 8.258 9.213 1.00 13.81 H new ATOM 0 HD11 ILE A 143 1.225 7.536 7.309 1.00 14.25 H new ATOM 0 HD12 ILE A 143 0.879 8.039 8.770 1.00 14.25 H new ATOM 0 HD13 ILE A 143 2.097 8.674 7.981 1.00 14.25 H new ATOM 950 N VAL A 144 2.496 4.862 12.047 1.00 13.14 N ATOM 951 CA VAL A 144 1.801 3.675 12.566 1.00 14.13 C ATOM 952 C VAL A 144 0.283 3.834 12.626 1.00 14.28 C ATOM 953 O VAL A 144 -0.399 2.884 12.962 1.00 15.65 O ATOM 954 CB VAL A 144 2.340 3.166 13.913 1.00 15.63 C ATOM 955 CG1 VAL A 144 3.800 2.711 13.778 1.00 15.83 C ATOM 956 CG2 VAL A 144 2.199 4.189 15.057 1.00 15.45 C ATOM 0 H VAL A 144 2.413 5.568 12.531 1.00 13.14 H new ATOM 0 HA VAL A 144 2.001 2.993 11.906 1.00 14.13 H new ATOM 0 HB VAL A 144 1.787 2.407 14.154 1.00 15.63 H new ATOM 0 HG11 VAL A 144 4.121 2.394 14.637 1.00 15.83 H new ATOM 0 HG12 VAL A 144 3.857 1.994 13.127 1.00 15.83 H new ATOM 0 HG13 VAL A 144 4.346 3.457 13.485 1.00 15.83 H new ATOM 0 HG21 VAL A 144 2.555 3.810 15.876 1.00 15.45 H new ATOM 0 HG22 VAL A 144 2.691 4.995 14.833 1.00 15.45 H new ATOM 0 HG23 VAL A 144 1.262 4.407 15.183 1.00 15.45 H new ATOM 957 N ASN A 145 -0.244 4.992 12.267 1.00 14.21 N ATOM 958 CA ASN A 145 -1.715 5.165 12.133 1.00 15.38 C ATOM 959 C ASN A 145 -2.053 6.307 11.163 1.00 17.31 C ATOM 960 O ASN A 145 -1.147 6.966 10.588 1.00 14.51 O ATOM 961 CB ASN A 145 -2.382 5.351 13.510 1.00 16.55 C ATOM 962 CG ASN A 145 -1.915 6.584 14.257 1.00 15.10 C ATOM 963 OD1 ASN A 145 -1.474 7.568 13.697 1.00 16.56 O ATOM 964 ND2 ASN A 145 -2.058 6.540 15.542 1.00 16.87 N ATOM 0 H ASN A 145 0.216 5.698 12.093 1.00 14.21 H new ATOM 0 HA ASN A 145 -2.081 4.352 11.750 1.00 15.38 H new ATOM 0 HB2 ASN A 145 -3.343 5.401 13.390 1.00 16.55 H new ATOM 0 HB3 ASN A 145 -2.205 4.568 14.054 1.00 16.55 H new ATOM 0 HD21 ASN A 145 -1.839 7.219 16.023 1.00 16.87 H new ATOM 0 HD22 ASN A 145 -2.372 5.832 15.916 1.00 16.87 H new ATOM 965 N HIS A 146 -3.355 6.504 10.951 1.00 17.11 N ATOM 966 CA HIS A 146 -3.889 7.604 10.093 1.00 18.39 C ATOM 967 C HIS A 146 -3.569 9.062 10.543 1.00 17.86 C ATOM 968 O HIS A 146 -3.452 10.026 9.699 1.00 18.82 O ATOM 969 CB HIS A 146 -5.396 7.380 9.942 1.00 18.84 C ATOM 970 CG HIS A 146 -5.745 6.170 9.124 1.00 19.85 C ATOM 971 ND1 HIS A 146 -6.988 5.986 8.550 1.00 21.70 N ATOM 972 CD2 HIS A 146 -5.000 5.110 8.740 1.00 20.99 C ATOM 973 CE1 HIS A 146 -7.001 4.841 7.888 1.00 21.97 C ATOM 974 NE2 HIS A 146 -5.808 4.295 7.983 1.00 22.08 N ATOM 0 H HIS A 146 -3.967 6.008 11.296 1.00 17.11 H new ATOM 0 HA HIS A 146 -3.421 7.546 9.245 1.00 18.39 H new ATOM 0 HB2 HIS A 146 -5.792 7.291 10.823 1.00 18.84 H new ATOM 0 HB3 HIS A 146 -5.792 8.164 9.531 1.00 18.84 H new ATOM 0 HD2 HIS A 146 -4.106 4.960 8.949 1.00 20.99 H new ATOM 0 HE1 HIS A 146 -7.729 4.483 7.433 1.00 21.97 H new ATOM 0 HE2 HIS A 146 -5.571 3.548 7.628 1.00 22.08 H new ATOM 975 N ALA A 147 -3.399 9.225 11.857 1.00 16.09 N ATOM 976 CA ALA A 147 -3.028 10.483 12.442 1.00 17.05 C ATOM 977 C ALA A 147 -1.564 10.812 12.193 1.00 15.96 C ATOM 978 O ALA A 147 -1.159 11.964 12.334 1.00 14.84 O ATOM 979 CB ALA A 147 -3.335 10.502 13.955 1.00 17.85 C ATOM 0 H ALA A 147 -3.501 8.591 12.429 1.00 16.09 H new ATOM 0 HA ALA A 147 -3.562 11.167 12.010 1.00 17.05 H new ATOM 0 HB1 ALA A 147 -3.076 11.360 14.327 1.00 17.85 H new ATOM 0 HB2 ALA A 147 -4.285 10.363 14.094 1.00 17.85 H new ATOM 0 HB3 ALA A 147 -2.837 9.796 14.395 1.00 17.85 H new ATOM 980 N GLY A 149 -0.763 9.800 11.822 1.00 16.20 N ATOM 981 CA GLY A 149 0.657 10.028 11.569 1.00 15.92 C ATOM 982 C GLY A 149 1.570 9.844 12.749 1.00 15.72 C ATOM 983 O GLY A 149 2.720 10.356 12.744 1.00 16.46 O ATOM 0 H GLY A 149 -1.024 8.988 11.714 1.00 16.20 H new ATOM 0 HA2 GLY A 149 0.943 9.427 10.863 1.00 15.92 H new ATOM 0 HA3 GLY A 149 0.767 10.932 11.234 1.00 15.92 H new ATOM 984 N ARG A 150 1.133 9.064 13.730 1.00 14.76 N ATOM 985 CA ARG A 150 1.959 8.785 14.914 1.00 15.79 C ATOM 986 C ARG A 150 3.288 8.090 14.477 1.00 15.11 C ATOM 987 O ARG A 150 3.262 7.143 13.673 1.00 14.52 O ATOM 988 CB ARG A 150 1.220 7.893 15.898 1.00 17.45 C ATOM 989 CG ARG A 150 1.905 7.729 17.275 1.00 19.83 C ATOM 990 CD ARG A 150 1.221 6.630 18.110 1.00 20.82 C ATOM 0 H ARG A 150 0.362 8.683 13.735 1.00 14.76 H new ATOM 0 HA ARG A 150 2.156 9.628 15.352 1.00 15.79 H new ATOM 0 HB2 ARG A 150 0.330 8.254 16.036 1.00 17.45 H new ATOM 0 HB3 ARG A 150 1.111 7.015 15.499 1.00 17.45 H new ATOM 0 HG2 ARG A 150 2.841 7.508 17.149 1.00 19.83 H new ATOM 0 HG3 ARG A 150 1.875 8.571 17.756 1.00 19.83 H new ATOM 991 N ARG A 151 4.394 8.555 15.051 1.00 14.71 N ATOM 992 CA ARG A 151 5.759 8.131 14.698 1.00 14.89 C ATOM 993 C ARG A 151 6.212 7.258 15.883 1.00 14.16 C ATOM 994 O ARG A 151 6.189 7.717 17.042 1.00 17.15 O ATOM 995 CB ARG A 151 6.681 9.347 14.542 1.00 16.47 C ATOM 996 CG ARG A 151 6.274 10.322 13.437 1.00 17.54 C ATOM 997 CD ARG A 151 6.962 11.711 13.497 1.00 20.27 C ATOM 0 H ARG A 151 4.376 9.145 15.677 1.00 14.71 H new ATOM 0 HA ARG A 151 5.789 7.653 13.854 1.00 14.89 H new ATOM 0 HB2 ARG A 151 6.709 9.826 15.385 1.00 16.47 H new ATOM 0 HB3 ARG A 151 7.582 9.034 14.364 1.00 16.47 H new ATOM 0 HG2 ARG A 151 6.471 9.916 12.578 1.00 17.54 H new ATOM 0 HG3 ARG A 151 5.313 10.451 13.476 1.00 17.54 H new ATOM 998 N PRO A 152 6.642 6.009 15.628 1.00 13.08 N ATOM 999 CA PRO A 152 7.109 5.160 16.748 1.00 12.67 C ATOM 1000 C PRO A 152 8.556 5.433 17.115 1.00 13.30 C ATOM 1001 O PRO A 152 9.412 5.678 16.216 1.00 13.69 O ATOM 1002 CB PRO A 152 6.978 3.752 16.167 1.00 12.78 C ATOM 1003 CG PRO A 152 7.247 3.924 14.728 1.00 13.37 C ATOM 1004 CD PRO A 152 6.686 5.293 14.346 1.00 12.19 C ATOM 0 HA PRO A 152 6.606 5.313 17.563 1.00 12.67 H new ATOM 0 HB2 PRO A 152 7.611 3.141 16.575 1.00 12.78 H new ATOM 0 HB3 PRO A 152 6.092 3.387 16.320 1.00 12.78 H new ATOM 0 HG2 PRO A 152 8.199 3.877 14.546 1.00 13.37 H new ATOM 0 HG3 PRO A 152 6.824 3.221 14.211 1.00 13.37 H new ATOM 0 HD2 PRO A 152 7.253 5.746 13.702 1.00 12.19 H new ATOM 0 HD3 PRO A 152 5.805 5.220 13.946 1.00 12.19 H new ATOM 1005 N ASP A 153 8.886 5.339 18.410 1.00 12.03 N ATOM 1006 CA ASP A 153 10.269 5.437 18.813 1.00 11.48 C ATOM 1007 C ASP A 153 11.078 4.174 18.488 1.00 11.07 C ATOM 1008 O ASP A 153 12.259 4.293 18.187 1.00 11.65 O ATOM 1009 CB ASP A 153 10.427 5.785 20.264 1.00 11.29 C ATOM 1010 CG ASP A 153 11.876 5.795 20.690 1.00 11.46 C ATOM 1011 OD1 ASP A 153 12.603 6.752 20.341 1.00 11.12 O ATOM 1012 OD2 ASP A 153 12.296 4.873 21.356 1.00 11.30 O ATOM 0 H ASP A 153 8.326 5.220 19.052 1.00 12.03 H new ATOM 0 HA ASP A 153 10.629 6.167 18.286 1.00 11.48 H new ATOM 0 HB2 ASP A 153 10.036 6.657 20.431 1.00 11.29 H new ATOM 0 HB3 ASP A 153 9.936 5.146 20.804 1.00 11.29 H new ATOM 1013 N SER A 154 10.451 2.994 18.514 1.00 10.05 N ATOM 1014 CA ASER A 154 11.154 1.732 18.268 0.50 10.39 C ATOM 1015 CA BSER A 154 11.129 1.710 18.294 0.50 9.99 C ATOM 1016 C SER A 154 10.734 1.015 16.974 1.00 10.12 C ATOM 1017 O SER A 154 9.629 1.205 16.441 1.00 10.02 O ATOM 1018 CB ASER A 154 10.942 0.789 19.430 0.50 10.63 C ATOM 1019 CB BSER A 154 10.848 0.766 19.461 0.50 9.80 C ATOM 1020 OG ASER A 154 9.595 0.399 19.470 0.50 11.38 O ATOM 1021 OG BSER A 154 11.472 1.222 20.655 0.50 9.45 O ATOM 0 H ASER A 154 9.611 2.904 18.674 0.50 10.05 H new ATOM 0 H BSER A 154 9.607 2.915 18.662 0.50 10.05 H new ATOM 0 HA ASER A 154 12.089 1.972 18.168 0.50 9.99 H new ATOM 0 HA BSER A 154 12.075 1.914 18.232 0.50 9.99 H new ATOM 0 HB2ASER A 154 11.512 0.010 19.336 0.50 9.80 H new ATOM 0 HB2BSER A 154 9.891 0.696 19.600 0.50 9.80 H new ATOM 0 HB3ASER A 154 11.189 1.223 20.262 0.50 9.80 H new ATOM 0 HB3BSER A 154 11.169 -0.124 19.245 0.50 9.80 H new ATOM 0 HG ASER A 154 9.181 0.877 20.023 0.50 9.45 H new ATOM 0 HG BSER A 154 11.458 0.610 21.230 0.50 9.45 H new ATOM 1022 N LEU A 155 11.618 0.190 16.478 1.00 9.54 N ATOM 1023 CA LEU A 155 11.366 -0.527 15.216 1.00 9.85 C ATOM 1024 C LEU A 155 10.083 -1.422 15.250 1.00 10.62 C ATOM 1025 O LEU A 155 9.881 -2.233 16.188 1.00 11.15 O ATOM 1026 CB LEU A 155 12.598 -1.343 14.846 1.00 9.56 C ATOM 1027 CG LEU A 155 12.600 -2.049 13.482 1.00 9.87 C ATOM 1028 CD1 LEU A 155 12.730 -1.068 12.315 1.00 9.26 C ATOM 1029 CD2 LEU A 155 13.749 -3.056 13.485 1.00 9.93 C ATOM 0 H LEU A 155 12.377 0.018 16.843 1.00 9.54 H new ATOM 0 HA LEU A 155 11.194 0.140 14.533 1.00 9.85 H new ATOM 0 HB2 LEU A 155 13.368 -0.754 14.879 1.00 9.56 H new ATOM 0 HB3 LEU A 155 12.727 -2.017 15.532 1.00 9.56 H new ATOM 0 HG LEU A 155 11.750 -2.498 13.352 1.00 9.87 H new ATOM 0 HD11 LEU A 155 12.727 -1.558 11.478 1.00 9.26 H new ATOM 0 HD12 LEU A 155 11.984 -0.448 12.329 1.00 9.26 H new ATOM 0 HD13 LEU A 155 13.562 -0.575 12.397 1.00 9.26 H new ATOM 0 HD21 LEU A 155 13.776 -3.519 12.633 1.00 9.93 H new ATOM 0 HD22 LEU A 155 14.588 -2.590 13.625 1.00 9.93 H new ATOM 0 HD23 LEU A 155 13.614 -3.699 14.198 1.00 9.93 H new ATOM 1030 N GLN A 156 9.246 -1.250 14.226 1.00 10.75 N ATOM 1031 CA GLN A 156 8.035 -2.059 14.012 1.00 12.13 C ATOM 1032 C GLN A 156 8.232 -3.032 12.854 1.00 12.41 C ATOM 1033 O GLN A 156 9.043 -2.790 11.948 1.00 11.39 O ATOM 1034 CB GLN A 156 6.825 -1.178 13.697 1.00 11.59 C ATOM 1035 CG GLN A 156 6.588 -0.081 14.714 1.00 12.36 C ATOM 1036 CD GLN A 156 6.128 -0.608 16.055 1.00 14.27 C ATOM 1037 OE1 GLN A 156 5.114 -1.320 16.142 1.00 14.88 O ATOM 1038 NE2 GLN A 156 6.853 -0.257 17.109 1.00 13.18 N ATOM 0 H GLN A 156 9.365 -0.649 13.623 1.00 10.75 H new ATOM 0 HA GLN A 156 7.874 -2.548 14.834 1.00 12.13 H new ATOM 0 HB2 GLN A 156 6.947 -0.776 12.822 1.00 11.59 H new ATOM 0 HB3 GLN A 156 6.033 -1.736 13.645 1.00 11.59 H new ATOM 0 HG2 GLN A 156 7.407 0.424 14.834 1.00 12.36 H new ATOM 0 HG3 GLN A 156 5.923 0.535 14.369 1.00 12.36 H new ATOM 0 HE21 GLN A 156 7.549 0.238 17.007 1.00 13.18 H new ATOM 0 HE22 GLN A 156 6.627 -0.524 17.895 1.00 13.18 H new ATOM 1039 N HIS A 157 7.498 -4.128 12.874 1.00 12.97 N ATOM 1040 CA HIS A 157 7.505 -4.969 11.669 1.00 14.83 C ATOM 1041 C HIS A 157 6.187 -5.591 11.377 1.00 15.54 C ATOM 1042 O HIS A 157 5.313 -5.628 12.256 1.00 15.36 O ATOM 1043 CB HIS A 157 8.564 -6.036 11.808 1.00 16.31 C ATOM 1044 CG HIS A 157 8.099 -7.205 12.604 1.00 17.99 C ATOM 1045 ND1 HIS A 157 7.911 -8.448 12.048 1.00 19.64 N ATOM 1046 CD2 HIS A 157 7.662 -7.291 13.883 1.00 19.70 C ATOM 1047 CE1 HIS A 157 7.463 -9.273 12.978 1.00 18.76 C ATOM 1048 NE2 HIS A 157 7.269 -8.591 14.088 1.00 18.46 N ATOM 0 H HIS A 157 7.012 -4.401 13.529 1.00 12.97 H new ATOM 0 HA HIS A 157 7.704 -4.389 10.918 1.00 14.83 H new ATOM 0 HB2 HIS A 157 8.833 -6.336 10.926 1.00 16.31 H new ATOM 0 HB3 HIS A 157 9.350 -5.654 12.230 1.00 16.31 H new ATOM 0 HD1 HIS A 157 8.061 -8.655 11.227 1.00 19.64 H new ATOM 0 HD2 HIS A 157 7.633 -6.600 14.505 1.00 19.70 H new ATOM 0 HE1 HIS A 157 7.310 -10.184 12.867 1.00 18.76 H new ATOM 1049 N VAL A 158 6.077 -6.161 10.167 1.00 15.65 N ATOM 1050 CA VAL A 158 4.863 -6.909 9.784 1.00 16.00 C ATOM 1051 C VAL A 158 5.210 -7.997 8.791 1.00 15.94 C ATOM 1052 O VAL A 158 6.135 -7.822 8.009 1.00 13.82 O ATOM 1053 CB VAL A 158 3.812 -5.921 9.292 1.00 15.85 C ATOM 1054 CG1 VAL A 158 4.198 -5.279 7.956 1.00 15.75 C ATOM 1055 CG2 VAL A 158 2.438 -6.535 9.299 1.00 18.49 C ATOM 0 H VAL A 158 6.685 -6.128 9.560 1.00 15.65 H new ATOM 0 HA VAL A 158 4.480 -7.371 10.546 1.00 16.00 H new ATOM 0 HB VAL A 158 3.779 -5.184 9.922 1.00 15.85 H new ATOM 0 HG11 VAL A 158 3.504 -4.660 7.682 1.00 15.75 H new ATOM 0 HG12 VAL A 158 5.036 -4.801 8.057 1.00 15.75 H new ATOM 0 HG13 VAL A 158 4.299 -5.969 7.282 1.00 15.75 H new ATOM 0 HG21 VAL A 158 1.791 -5.885 8.982 1.00 18.49 H new ATOM 0 HG22 VAL A 158 2.427 -7.311 8.718 1.00 18.49 H new ATOM 0 HG23 VAL A 158 2.209 -6.805 10.202 1.00 18.49 H new ATOM 1056 N LEU A 159 4.523 -9.147 8.868 1.00 14.83 N ATOM 1057 CA LEU A 159 4.678 -10.194 7.882 1.00 14.95 C ATOM 1058 C LEU A 159 3.595 -10.086 6.841 1.00 14.63 C ATOM 1059 O LEU A 159 2.403 -10.066 7.183 1.00 14.18 O ATOM 1060 CB LEU A 159 4.614 -11.575 8.533 1.00 18.07 C ATOM 1061 CG LEU A 159 5.707 -11.779 9.571 1.00 20.62 C ATOM 1062 CD1 LEU A 159 5.424 -12.919 10.533 1.00 23.06 C ATOM 1063 CD2 LEU A 159 7.026 -12.029 8.842 1.00 22.60 C ATOM 0 H LEU A 159 3.961 -9.329 9.493 1.00 14.83 H new ATOM 0 HA LEU A 159 5.547 -10.086 7.465 1.00 14.95 H new ATOM 0 HB2 LEU A 159 3.747 -11.692 8.953 1.00 18.07 H new ATOM 0 HB3 LEU A 159 4.692 -12.257 7.847 1.00 18.07 H new ATOM 0 HG LEU A 159 5.750 -10.975 10.113 1.00 20.62 H new ATOM 0 HD11 LEU A 159 6.154 -12.997 11.166 1.00 23.06 H new ATOM 0 HD12 LEU A 159 4.599 -12.742 11.012 1.00 23.06 H new ATOM 0 HD13 LEU A 159 5.337 -13.748 10.036 1.00 23.06 H new ATOM 0 HD21 LEU A 159 7.735 -12.161 9.491 1.00 22.60 H new ATOM 0 HD22 LEU A 159 6.944 -12.820 8.287 1.00 22.60 H new ATOM 0 HD23 LEU A 159 7.238 -11.264 8.284 1.00 22.60 H new ATOM 1064 N LEU A 160 3.998 -9.952 5.580 1.00 13.20 N ATOM 1065 CA LEU A 160 3.061 -9.696 4.475 1.00 11.83 C ATOM 1066 C LEU A 160 3.211 -10.800 3.394 1.00 11.82 C ATOM 1067 O LEU A 160 4.328 -11.182 3.006 1.00 10.96 O ATOM 1068 CB LEU A 160 3.360 -8.334 3.842 1.00 12.73 C ATOM 1069 CG LEU A 160 3.351 -7.077 4.767 1.00 12.02 C ATOM 1070 CD1 LEU A 160 3.702 -5.900 3.946 1.00 12.07 C ATOM 1071 CD2 LEU A 160 1.954 -6.837 5.307 1.00 11.91 C ATOM 0 H LEU A 160 4.821 -10.006 5.336 1.00 13.20 H new ATOM 0 HA LEU A 160 2.156 -9.700 4.824 1.00 11.83 H new ATOM 0 HB2 LEU A 160 4.233 -8.387 3.422 1.00 12.73 H new ATOM 0 HB3 LEU A 160 2.713 -8.187 3.135 1.00 12.73 H new ATOM 0 HG LEU A 160 3.975 -7.215 5.497 1.00 12.02 H new ATOM 0 HD11 LEU A 160 3.702 -5.106 4.502 1.00 12.07 H new ATOM 0 HD12 LEU A 160 4.584 -6.025 3.561 1.00 12.07 H new ATOM 0 HD13 LEU A 160 3.051 -5.796 3.235 1.00 12.07 H new ATOM 0 HD21 LEU A 160 1.958 -6.055 5.880 1.00 11.91 H new ATOM 0 HD22 LEU A 160 1.342 -6.693 4.569 1.00 11.91 H new ATOM 0 HD23 LEU A 160 1.667 -7.610 5.818 1.00 11.91 H new ATOM 1072 N PRO A 161 2.099 -11.322 2.900 1.00 11.22 N ATOM 1073 CA PRO A 161 2.150 -12.227 1.730 1.00 11.49 C ATOM 1074 C PRO A 161 2.395 -11.467 0.462 1.00 10.57 C ATOM 1075 O PRO A 161 1.761 -10.402 0.217 1.00 10.73 O ATOM 1076 CB PRO A 161 0.742 -12.868 1.690 1.00 11.71 C ATOM 1077 CG PRO A 161 0.023 -12.368 2.899 1.00 12.60 C ATOM 1078 CD PRO A 161 0.740 -11.170 3.454 1.00 11.75 C ATOM 0 HA PRO A 161 2.868 -12.875 1.805 1.00 11.49 H new ATOM 0 HB2 PRO A 161 0.271 -12.619 0.879 1.00 11.71 H new ATOM 0 HB3 PRO A 161 0.802 -13.836 1.698 1.00 11.71 H new ATOM 0 HG2 PRO A 161 -0.889 -12.132 2.669 1.00 12.60 H new ATOM 0 HG3 PRO A 161 -0.025 -13.067 3.570 1.00 12.60 H new ATOM 0 HD2 PRO A 161 0.326 -10.339 3.172 1.00 11.75 H new ATOM 0 HD3 PRO A 161 0.744 -11.169 4.424 1.00 11.75 H new ATOM 1079 N VAL A 162 3.325 -11.972 -0.365 1.00 11.66 N ATOM 1080 CA VAL A 162 3.533 -11.425 -1.750 1.00 11.33 C ATOM 1081 C VAL A 162 2.234 -11.602 -2.599 1.00 11.70 C ATOM 1082 O VAL A 162 1.556 -12.633 -2.487 1.00 10.30 O ATOM 1083 CB VAL A 162 4.716 -12.165 -2.409 1.00 11.57 C ATOM 1084 CG1 VAL A 162 4.834 -11.887 -3.910 1.00 11.97 C ATOM 1085 CG2 VAL A 162 6.002 -11.831 -1.720 1.00 12.25 C ATOM 0 H VAL A 162 3.847 -12.624 -0.159 1.00 11.66 H new ATOM 0 HA VAL A 162 3.734 -10.477 -1.701 1.00 11.33 H new ATOM 0 HB VAL A 162 4.534 -13.113 -2.309 1.00 11.57 H new ATOM 0 HG11 VAL A 162 5.591 -12.375 -4.271 1.00 11.97 H new ATOM 0 HG12 VAL A 162 4.022 -12.173 -4.357 1.00 11.97 H new ATOM 0 HG13 VAL A 162 4.964 -10.937 -4.054 1.00 11.97 H new ATOM 0 HG21 VAL A 162 6.732 -12.305 -2.149 1.00 12.25 H new ATOM 0 HG22 VAL A 162 6.161 -10.876 -1.776 1.00 12.25 H new ATOM 0 HG23 VAL A 162 5.948 -12.095 -0.788 1.00 12.25 H new ATOM 1086 N LEU A 163 1.910 -10.594 -3.409 1.00 11.84 N ATOM 1087 CA LEU A 163 0.721 -10.561 -4.224 1.00 13.80 C ATOM 1088 C LEU A 163 1.183 -10.625 -5.641 1.00 14.42 C ATOM 1089 O LEU A 163 2.004 -9.821 -6.057 1.00 13.88 O ATOM 1090 CB LEU A 163 -0.043 -9.258 -4.048 1.00 15.04 C ATOM 1091 CG LEU A 163 -1.345 -9.106 -4.848 1.00 15.81 C ATOM 1092 CD1 LEU A 163 -2.417 -10.070 -4.315 1.00 15.78 C ATOM 1093 CD2 LEU A 163 -1.871 -7.685 -4.845 1.00 16.52 C ATOM 0 H LEU A 163 2.399 -9.892 -3.495 1.00 11.84 H new ATOM 0 HA LEU A 163 0.136 -11.293 -3.975 1.00 13.80 H new ATOM 0 HB2 LEU A 163 -0.253 -9.155 -3.107 1.00 15.04 H new ATOM 0 HB3 LEU A 163 0.547 -8.527 -4.289 1.00 15.04 H new ATOM 0 HG LEU A 163 -1.137 -9.330 -5.769 1.00 15.81 H new ATOM 0 HD11 LEU A 163 -3.233 -9.963 -4.829 1.00 15.78 H new ATOM 0 HD12 LEU A 163 -2.101 -10.983 -4.397 1.00 15.78 H new ATOM 0 HD13 LEU A 163 -2.595 -9.873 -3.382 1.00 15.78 H new ATOM 0 HD21 LEU A 163 -2.691 -7.642 -5.362 1.00 16.52 H new ATOM 0 HD22 LEU A 163 -2.049 -7.408 -3.933 1.00 16.52 H new ATOM 0 HD23 LEU A 163 -1.210 -7.094 -5.239 1.00 16.52 H new ATOM 1094 N ASP A 164 0.619 -11.579 -6.389 1.00 15.02 N ATOM 1095 CA ASP A 164 1.051 -11.837 -7.750 1.00 14.46 C ATOM 1096 C ASP A 164 0.895 -10.558 -8.626 1.00 13.68 C ATOM 1097 O ASP A 164 -0.028 -9.744 -8.419 1.00 13.76 O ATOM 1098 CB ASP A 164 0.243 -12.990 -8.280 1.00 14.80 C ATOM 1099 CG ASP A 164 -1.227 -12.618 -8.519 1.00 15.83 C ATOM 1100 OD1 ASP A 164 -2.056 -12.760 -7.591 1.00 16.29 O ATOM 1101 OD2 ASP A 164 -1.554 -12.145 -9.635 1.00 18.14 O ATOM 0 H ASP A 164 -0.019 -12.087 -6.117 1.00 15.02 H new ATOM 0 HA ASP A 164 1.992 -12.071 -7.774 1.00 14.46 H new ATOM 0 HB2 ASP A 164 0.634 -13.300 -9.112 1.00 14.80 H new ATOM 0 HB3 ASP A 164 0.289 -13.728 -7.653 1.00 14.80 H new ATOM 1102 N ARG A 165 1.760 -10.406 -9.617 1.00 13.79 N ATOM 1103 CA ARG A 165 1.805 -9.207 -10.430 1.00 14.50 C ATOM 1104 C ARG A 165 0.542 -8.966 -11.239 1.00 14.65 C ATOM 1105 O ARG A 165 0.058 -7.829 -11.265 1.00 15.38 O ATOM 1106 CB ARG A 165 3.061 -9.145 -11.328 1.00 15.87 C ATOM 1107 CG ARG A 165 3.242 -7.840 -12.123 1.00 17.56 C ATOM 1108 CD ARG A 165 4.584 -7.681 -12.894 1.00 19.37 C ATOM 1109 NE ARG A 165 5.745 -7.827 -11.991 1.00 19.16 N ATOM 1110 CZ ARG A 165 6.314 -8.987 -11.664 1.00 19.86 C ATOM 1111 NH1 ARG A 165 5.899 -10.122 -12.197 1.00 19.07 N ATOM 1112 NH2 ARG A 165 7.295 -9.017 -10.781 1.00 20.33 N ATOM 0 H ARG A 165 2.341 -11.001 -9.837 1.00 13.79 H new ATOM 0 HA ARG A 165 1.862 -8.480 -9.791 1.00 14.50 H new ATOM 0 HB2 ARG A 165 3.844 -9.278 -10.772 1.00 15.87 H new ATOM 0 HB3 ARG A 165 3.029 -9.885 -11.954 1.00 15.87 H new ATOM 0 HG2 ARG A 165 2.515 -7.769 -12.761 1.00 17.56 H new ATOM 0 HG3 ARG A 165 3.154 -7.095 -11.508 1.00 17.56 H new ATOM 0 HD2 ARG A 165 4.635 -8.345 -13.599 1.00 19.37 H new ATOM 0 HD3 ARG A 165 4.612 -6.811 -13.322 1.00 19.37 H new ATOM 0 HE ARG A 165 6.078 -7.110 -11.651 1.00 19.16 H new ATOM 0 HH11 ARG A 165 5.253 -10.120 -12.764 1.00 19.07 H new ATOM 0 HH12 ARG A 165 6.275 -10.863 -11.977 1.00 19.07 H new ATOM 0 HH21 ARG A 165 7.568 -8.287 -10.416 1.00 20.33 H new ATOM 0 HH22 ARG A 165 7.661 -9.766 -10.571 1.00 20.33 H new ATOM 1113 N ALA A 166 -0.051 -10.017 -11.814 1.00 15.34 N ATOM 1114 CA ALA A 166 -1.257 -9.848 -12.618 1.00 15.95 C ATOM 1115 C ALA A 166 -2.366 -9.239 -11.786 1.00 15.78 C ATOM 1116 O ALA A 166 -3.009 -8.282 -12.247 1.00 18.15 O ATOM 1117 CB ALA A 166 -1.669 -11.160 -13.279 1.00 17.57 C ATOM 0 H ALA A 166 0.229 -10.828 -11.750 1.00 15.34 H new ATOM 0 HA ALA A 166 -1.067 -9.228 -13.339 1.00 15.95 H new ATOM 0 HB1 ALA A 166 -2.471 -11.019 -13.806 1.00 17.57 H new ATOM 0 HB2 ALA A 166 -0.954 -11.470 -13.856 1.00 17.57 H new ATOM 0 HB3 ALA A 166 -1.844 -11.826 -12.596 1.00 17.57 H new ATOM 1118 N THR A 167 -2.578 -9.693 -10.547 1.00 15.92 N ATOM 1119 CA THR A 167 -3.624 -9.051 -9.700 1.00 16.70 C ATOM 1120 C THR A 167 -3.290 -7.602 -9.352 1.00 16.05 C ATOM 1121 O THR A 167 -4.169 -6.722 -9.358 1.00 16.23 O ATOM 1122 CB THR A 167 -3.930 -9.811 -8.403 1.00 17.77 C ATOM 1123 OG1 THR A 167 -4.154 -11.186 -8.711 1.00 16.42 O ATOM 1124 CG2 THR A 167 -5.152 -9.224 -7.690 1.00 18.60 C ATOM 0 H THR A 167 -2.153 -10.344 -10.179 1.00 15.92 H new ATOM 0 HA THR A 167 -4.418 -9.076 -10.257 1.00 16.70 H new ATOM 0 HB THR A 167 -3.171 -9.726 -7.805 1.00 17.77 H new ATOM 0 HG1 THR A 167 -3.609 -11.661 -8.283 1.00 16.42 H new ATOM 0 HG21 THR A 167 -5.322 -9.722 -6.875 1.00 18.60 H new ATOM 0 HG22 THR A 167 -4.983 -8.294 -7.470 1.00 18.60 H new ATOM 0 HG23 THR A 167 -5.926 -9.283 -8.272 1.00 18.60 H new ATOM 1125 N CYS A 168 -2.017 -7.348 -9.104 1.00 15.31 N ATOM 1126 CA CYS A 168 -1.575 -6.032 -8.670 1.00 15.24 C ATOM 1127 C CYS A 168 -1.815 -5.044 -9.800 1.00 16.34 C ATOM 1128 O CYS A 168 -2.102 -3.868 -9.552 1.00 16.31 O ATOM 1129 CB CYS A 168 -0.097 -6.079 -8.286 1.00 15.07 C ATOM 1130 SG CYS A 168 0.251 -4.763 -7.139 1.00 15.28 S ATOM 0 H CYS A 168 -1.387 -7.928 -9.181 1.00 15.31 H new ATOM 0 HA CYS A 168 -2.075 -5.750 -7.888 1.00 15.24 H new ATOM 0 HB2 CYS A 168 0.117 -6.936 -7.886 1.00 15.07 H new ATOM 0 HB3 CYS A 168 0.457 -5.988 -9.077 1.00 15.07 H new ATOM 1131 N ASN A 169 -1.698 -5.539 -11.043 1.00 16.05 N ATOM 1132 CA ASN A 169 -1.931 -4.732 -12.257 1.00 17.69 C ATOM 1133 C ASN A 169 -3.407 -4.589 -12.706 1.00 19.85 C ATOM 1134 O ASN A 169 -3.683 -3.830 -13.638 1.00 19.78 O ATOM 1135 CB ASN A 169 -1.085 -5.273 -13.438 1.00 17.92 C ATOM 1136 CG ASN A 169 0.314 -4.678 -13.502 1.00 19.22 C ATOM 1137 OD1 ASN A 169 0.504 -3.503 -13.155 1.00 20.47 O ATOM 1138 ND2 ASN A 169 1.305 -5.470 -14.006 1.00 19.29 N ATOM 0 H ASN A 169 -1.481 -6.355 -11.206 1.00 16.05 H new ATOM 0 HA ASN A 169 -1.654 -3.838 -12.002 1.00 17.69 H new ATOM 0 HB2 ASN A 169 -1.016 -6.238 -13.362 1.00 17.92 H new ATOM 0 HB3 ASN A 169 -1.547 -5.086 -14.270 1.00 17.92 H new ATOM 0 HD21 ASN A 169 2.102 -5.158 -14.094 1.00 19.29 H new ATOM 0 HD22 ASN A 169 1.133 -6.281 -14.235 1.00 19.29 H new ATOM 1139 N ARG A 170 -4.349 -5.267 -12.064 1.00 22.20 N ATOM 1140 CA ARG A 170 -5.760 -5.176 -12.479 1.00 23.11 C ATOM 1141 C ARG A 170 -6.246 -3.720 -12.343 1.00 25.69 C ATOM 1142 O ARG A 170 -5.674 -2.903 -11.569 1.00 21.67 O ATOM 1143 CB ARG A 170 -6.624 -6.170 -11.692 1.00 24.23 C ATOM 0 H ARG A 170 -4.203 -5.783 -11.391 1.00 22.20 H new ATOM 0 HA ARG A 170 -5.844 -5.425 -13.413 1.00 23.11 H new ATOM 1144 N ARG A 170A -7.264 -3.392 -13.144 1.00 26.24 N ATOM 1145 CA ARG A 170A -7.811 -2.027 -13.261 1.00 28.49 C ATOM 1146 C ARG A 170A -8.090 -1.341 -11.921 1.00 27.20 C ATOM 1147 O ARG A 170A -7.677 -0.199 -11.685 1.00 28.92 O ATOM 1148 CB ARG A 170A -9.113 -2.045 -14.093 1.00 28.94 C ATOM 0 H ARG A 170A -7.666 -3.964 -13.645 1.00 26.24 H new ATOM 0 HA ARG A 170A -7.119 -1.510 -13.701 1.00 28.49 H new ATOM 1149 N THR A 170B -8.735 -2.066 -11.027 1.00 29.90 N ATOM 1150 CA THR A 170B -9.103 -1.524 -9.718 1.00 30.31 C ATOM 1151 C THR A 170B -7.953 -1.436 -8.704 1.00 29.41 C ATOM 1152 O THR A 170B -8.123 -0.809 -7.636 1.00 24.79 O ATOM 1153 CB THR A 170B -10.208 -2.384 -9.102 1.00 31.64 C ATOM 1154 OG1 THR A 170B -9.839 -3.760 -9.199 1.00 33.27 O ATOM 1155 CG2 THR A 170B -11.526 -2.179 -9.866 1.00 36.23 C ATOM 0 H THR A 170B -8.974 -2.882 -11.153 1.00 29.90 H new ATOM 0 HA THR A 170B -9.392 -0.615 -9.893 1.00 30.31 H new ATOM 0 HB THR A 170B -10.326 -2.127 -8.174 1.00 31.64 H new ATOM 0 HG1 THR A 170B -10.442 -4.237 -8.861 1.00 33.27 H new ATOM 0 HG21 THR A 170B -12.220 -2.728 -9.468 1.00 36.23 H new ATOM 0 HG22 THR A 170B -11.786 -1.246 -9.819 1.00 36.23 H new ATOM 0 HG23 THR A 170B -11.405 -2.434 -10.794 1.00 36.23 H new ATOM 1156 N HIS A 171 -6.825 -2.089 -9.002 1.00 27.64 N ATOM 1157 CA HIS A 171 -5.664 -2.065 -8.104 1.00 26.88 C ATOM 1158 C HIS A 171 -4.668 -1.034 -8.589 1.00 25.85 C ATOM 1159 O HIS A 171 -4.960 0.143 -8.413 1.00 24.55 O ATOM 1160 CB HIS A 171 -5.119 -3.466 -7.893 1.00 26.30 C ATOM 1161 CG HIS A 171 -6.128 -4.401 -7.309 1.00 28.08 C ATOM 1162 ND1 HIS A 171 -6.423 -5.629 -7.863 1.00 29.89 N ATOM 1163 CD2 HIS A 171 -6.943 -4.270 -6.241 1.00 30.84 C ATOM 1164 CE1 HIS A 171 -7.342 -6.231 -7.128 1.00 31.05 C ATOM 1165 NE2 HIS A 171 -7.671 -5.430 -6.133 1.00 30.60 N ATOM 0 H HIS A 171 -6.712 -2.551 -9.718 1.00 27.64 H new ATOM 0 HA HIS A 171 -5.918 -1.775 -7.214 1.00 26.88 H new ATOM 0 HB2 HIS A 171 -4.811 -3.819 -8.742 1.00 26.30 H new ATOM 0 HB3 HIS A 171 -4.347 -3.423 -7.307 1.00 26.30 H new ATOM 0 HD1 HIS A 171 -6.065 -5.952 -8.575 1.00 29.89 H new ATOM 0 HD2 HIS A 171 -7.001 -3.530 -5.681 1.00 30.84 H new ATOM 0 HE1 HIS A 171 -7.697 -7.076 -7.286 1.00 31.05 H new ATOM 1166 N HIS A 172 -3.532 -1.403 -9.189 1.00 25.37 N ATOM 1167 CA HIS A 172 -2.557 -0.398 -9.661 1.00 23.39 C ATOM 1168 C HIS A 172 -2.534 -0.207 -11.187 1.00 22.72 C ATOM 1169 O HIS A 172 -1.676 0.473 -11.686 1.00 22.72 O ATOM 1170 CB HIS A 172 -1.139 -0.678 -9.125 1.00 22.80 C ATOM 1171 CG HIS A 172 -0.974 -0.418 -7.655 1.00 21.90 C ATOM 1172 ND1 HIS A 172 -1.181 0.825 -7.088 1.00 21.46 N ATOM 1173 CD2 HIS A 172 -0.584 -1.231 -6.645 1.00 19.02 C ATOM 1174 CE1 HIS A 172 -0.957 0.761 -5.791 1.00 21.21 C ATOM 1175 NE2 HIS A 172 -0.573 -0.476 -5.495 1.00 20.42 N ATOM 0 H HIS A 172 -3.304 -2.220 -9.333 1.00 25.37 H new ATOM 0 HA HIS A 172 -2.870 0.442 -9.291 1.00 23.39 H new ATOM 0 HB2 HIS A 172 -0.912 -1.603 -9.307 1.00 22.80 H new ATOM 0 HB3 HIS A 172 -0.505 -0.129 -9.613 1.00 22.80 H new ATOM 0 HD2 HIS A 172 -0.364 -2.132 -6.716 1.00 19.02 H new ATOM 0 HE1 HIS A 172 -1.051 1.461 -5.187 1.00 21.21 H new ATOM 0 HE2 HIS A 172 -0.354 -0.758 -4.713 1.00 20.42 H new ATOM 1176 N ASP A 173 -3.450 -0.831 -11.911 1.00 26.25 N ATOM 1177 CA ASP A 173 -3.806 -0.428 -13.280 1.00 28.26 C ATOM 1178 C ASP A 173 -2.612 -0.337 -14.252 1.00 27.20 C ATOM 1179 O ASP A 173 -2.384 0.687 -14.884 1.00 27.93 O ATOM 1180 CB ASP A 173 -4.605 0.898 -13.205 1.00 31.73 C ATOM 1181 CG ASP A 173 -5.349 1.226 -14.507 1.00 36.98 C ATOM 1182 OD1 ASP A 173 -5.884 0.297 -15.134 1.00 35.56 O ATOM 1183 OD2 ASP A 173 -5.389 2.416 -14.895 1.00 34.75 O ATOM 0 H ASP A 173 -3.893 -1.510 -11.625 1.00 26.25 H new ATOM 0 HA ASP A 173 -4.355 -1.130 -13.663 1.00 28.26 H new ATOM 0 HB2 ASP A 173 -5.245 0.843 -12.478 1.00 31.73 H new ATOM 0 HB3 ASP A 173 -3.997 1.624 -12.994 1.00 31.73 H new ATOM 1184 N GLY A 174 -1.841 -1.427 -14.352 1.00 24.91 N ATOM 1185 CA GLY A 174 -0.705 -1.553 -15.264 1.00 24.10 C ATOM 1186 C GLY A 174 0.602 -0.875 -14.859 1.00 24.30 C ATOM 1187 O GLY A 174 1.577 -0.942 -15.613 1.00 24.14 O ATOM 0 H GLY A 174 -1.971 -2.131 -13.876 1.00 24.91 H new ATOM 0 HA2 GLY A 174 -0.526 -2.498 -15.390 1.00 24.10 H new ATOM 0 HA3 GLY A 174 -0.972 -1.197 -16.126 1.00 24.10 H new ATOM 1188 N ALA A 175 0.654 -0.239 -13.668 1.00 22.29 N ATOM 1189 CA ALA A 175 1.885 0.455 -13.244 1.00 22.21 C ATOM 1190 C ALA A 175 2.985 -0.523 -12.780 1.00 20.79 C ATOM 1191 O ALA A 175 4.130 -0.139 -12.674 1.00 21.10 O ATOM 1192 CB ALA A 175 1.589 1.445 -12.127 1.00 23.46 C ATOM 0 H ALA A 175 0.003 -0.200 -13.107 1.00 22.29 H new ATOM 0 HA ALA A 175 2.215 0.928 -14.024 1.00 22.21 H new ATOM 0 HB1 ALA A 175 2.409 1.890 -11.863 1.00 23.46 H new ATOM 0 HB2 ALA A 175 0.950 2.105 -12.440 1.00 23.46 H new ATOM 0 HB3 ALA A 175 1.218 0.972 -11.365 1.00 23.46 H new ATOM 1193 N ILE A 176 2.652 -1.788 -12.538 1.00 19.35 N ATOM 1194 CA ILE A 176 3.602 -2.736 -11.998 1.00 19.40 C ATOM 1195 C ILE A 176 4.434 -3.416 -13.116 1.00 18.94 C ATOM 1196 O ILE A 176 3.971 -4.307 -13.788 1.00 21.95 O ATOM 1197 CB ILE A 176 2.941 -3.772 -11.075 1.00 20.16 C ATOM 1198 CG1 ILE A 176 1.922 -3.073 -10.112 1.00 19.09 C ATOM 1199 CG2 ILE A 176 4.024 -4.564 -10.325 1.00 19.77 C ATOM 1200 CD1 ILE A 176 2.511 -2.024 -9.202 1.00 18.85 C ATOM 0 H ILE A 176 1.870 -2.114 -12.684 1.00 19.35 H new ATOM 0 HA ILE A 176 4.216 -2.226 -11.447 1.00 19.40 H new ATOM 0 HB ILE A 176 2.432 -4.408 -11.602 1.00 20.16 H new ATOM 0 HG12 ILE A 176 1.224 -2.662 -10.646 1.00 19.09 H new ATOM 0 HG13 ILE A 176 1.497 -3.753 -9.566 1.00 19.09 H new ATOM 0 HG21 ILE A 176 3.604 -5.217 -9.744 1.00 19.77 H new ATOM 0 HG22 ILE A 176 4.593 -5.020 -10.965 1.00 19.77 H new ATOM 0 HG23 ILE A 176 4.560 -3.955 -9.793 1.00 19.77 H new ATOM 0 HD11 ILE A 176 1.811 -1.648 -8.646 1.00 18.85 H new ATOM 0 HD12 ILE A 176 3.189 -2.428 -8.639 1.00 18.85 H new ATOM 0 HD13 ILE A 176 2.912 -1.320 -9.736 1.00 18.85 H new ATOM 1201 N THR A 177 5.667 -2.975 -13.278 1.00 17.25 N ATOM 1202 CA THR A 177 6.597 -3.563 -14.239 1.00 17.78 C ATOM 1203 C THR A 177 7.183 -4.846 -13.695 1.00 17.39 C ATOM 1204 O THR A 177 7.019 -5.140 -12.520 1.00 17.31 O ATOM 1205 CB THR A 177 7.771 -2.601 -14.539 1.00 18.71 C ATOM 1206 OG1 THR A 177 8.561 -2.420 -13.353 1.00 18.39 O ATOM 1207 CG2 THR A 177 7.248 -1.216 -15.063 1.00 19.31 C ATOM 0 H THR A 177 5.997 -2.319 -12.831 1.00 17.25 H new ATOM 0 HA THR A 177 6.095 -3.736 -15.051 1.00 17.78 H new ATOM 0 HB THR A 177 8.321 -2.993 -15.235 1.00 18.71 H new ATOM 0 HG1 THR A 177 8.930 -1.666 -13.374 1.00 18.39 H new ATOM 0 HG21 THR A 177 8.002 -0.632 -15.243 1.00 19.31 H new ATOM 0 HG22 THR A 177 6.740 -1.349 -15.879 1.00 19.31 H new ATOM 0 HG23 THR A 177 6.679 -0.810 -14.391 1.00 19.31 H new ATOM 1208 N GLU A 178 7.936 -5.576 -14.524 1.00 17.44 N ATOM 1209 CA GLU A 178 8.665 -6.745 -14.050 1.00 17.61 C ATOM 1210 C GLU A 178 9.768 -6.412 -13.058 1.00 15.73 C ATOM 1211 O GLU A 178 10.324 -7.318 -12.441 1.00 13.14 O ATOM 1212 CB GLU A 178 9.253 -7.556 -15.229 1.00 20.86 C ATOM 1213 CG GLU A 178 10.462 -6.929 -15.914 1.00 25.08 C ATOM 1214 CD GLU A 178 11.275 -7.934 -16.731 1.00 28.07 C ATOM 1215 OE1 GLU A 178 10.663 -8.827 -17.375 1.00 30.59 O ATOM 1216 OE2 GLU A 178 12.519 -7.842 -16.704 1.00 27.47 O ATOM 0 H GLU A 178 8.035 -5.408 -15.362 1.00 17.44 H new ATOM 0 HA GLU A 178 8.010 -7.283 -13.579 1.00 17.61 H new ATOM 0 HB2 GLU A 178 9.504 -8.435 -14.904 1.00 20.86 H new ATOM 0 HB3 GLU A 178 8.556 -7.687 -15.891 1.00 20.86 H new ATOM 0 HG2 GLU A 178 10.162 -6.214 -16.497 1.00 25.08 H new ATOM 0 HG3 GLU A 178 11.035 -6.527 -15.243 1.00 25.08 H new ATOM 1217 N ARG A 179 10.072 -5.130 -12.906 1.00 15.07 N ATOM 1218 CA ARG A 179 11.127 -4.676 -11.956 1.00 15.28 C ATOM 1219 C ARG A 179 10.574 -4.294 -10.608 1.00 14.55 C ATOM 1220 O ARG A 179 11.366 -3.920 -9.700 1.00 12.84 O ATOM 1221 CB ARG A 179 11.928 -3.495 -12.541 1.00 15.57 C ATOM 1222 CG ARG A 179 12.270 -3.644 -14.024 1.00 17.46 C ATOM 1223 CD ARG A 179 13.291 -2.648 -14.552 1.00 17.55 C ATOM 1224 NE ARG A 179 14.704 -3.023 -14.221 1.00 18.75 N ATOM 1225 CZ ARG A 179 15.764 -2.363 -14.673 1.00 18.59 C ATOM 1226 NH1 ARG A 179 15.608 -1.307 -15.481 1.00 19.43 N ATOM 1227 NH2 ARG A 179 16.993 -2.724 -14.331 1.00 18.36 N ATOM 0 H ARG A 179 9.687 -4.493 -13.337 1.00 15.07 H new ATOM 0 HA ARG A 179 11.717 -5.435 -11.827 1.00 15.28 H new ATOM 0 HB2 ARG A 179 11.419 -2.679 -12.417 1.00 15.57 H new ATOM 0 HB3 ARG A 179 12.751 -3.395 -12.038 1.00 15.57 H new ATOM 0 HG2 ARG A 179 12.605 -4.541 -14.176 1.00 17.46 H new ATOM 0 HG3 ARG A 179 11.454 -3.555 -14.541 1.00 17.46 H new ATOM 0 HD2 ARG A 179 13.198 -2.577 -15.515 1.00 17.55 H new ATOM 0 HD3 ARG A 179 13.100 -1.771 -14.184 1.00 17.55 H new ATOM 0 HE ARG A 179 14.835 -3.703 -13.711 1.00 18.75 H new ATOM 0 HH11 ARG A 179 14.819 -1.053 -15.710 1.00 19.43 H new ATOM 0 HH12 ARG A 179 16.297 -0.882 -15.771 1.00 19.43 H new ATOM 0 HH21 ARG A 179 17.114 -3.396 -13.808 1.00 18.36 H new ATOM 0 HH22 ARG A 179 17.669 -2.286 -14.632 1.00 18.36 H new ATOM 1228 N LEU A 180 9.243 -4.390 -10.460 1.00 13.94 N ATOM 1229 CA LEU A 180 8.528 -4.140 -9.204 1.00 13.02 C ATOM 1230 C LEU A 180 7.805 -5.383 -8.723 1.00 12.84 C ATOM 1231 O LEU A 180 7.490 -6.273 -9.507 1.00 13.45 O ATOM 1232 CB LEU A 180 7.493 -3.034 -9.366 1.00 12.63 C ATOM 1233 CG LEU A 180 8.067 -1.670 -9.739 1.00 12.69 C ATOM 1234 CD1 LEU A 180 6.948 -0.700 -10.124 1.00 13.39 C ATOM 1235 CD2 LEU A 180 8.854 -1.078 -8.597 1.00 12.06 C ATOM 0 H LEU A 180 8.721 -4.608 -11.107 1.00 13.94 H new ATOM 0 HA LEU A 180 9.199 -3.875 -8.556 1.00 13.02 H new ATOM 0 HB2 LEU A 180 6.857 -3.301 -10.048 1.00 12.63 H new ATOM 0 HB3 LEU A 180 6.999 -2.947 -8.536 1.00 12.63 H new ATOM 0 HG LEU A 180 8.658 -1.804 -10.496 1.00 12.69 H new ATOM 0 HD11 LEU A 180 7.331 0.160 -10.357 1.00 13.39 H new ATOM 0 HD12 LEU A 180 6.460 -1.054 -10.884 1.00 13.39 H new ATOM 0 HD13 LEU A 180 6.342 -0.591 -9.374 1.00 13.39 H new ATOM 0 HD21 LEU A 180 9.207 -0.214 -8.861 1.00 12.06 H new ATOM 0 HD22 LEU A 180 8.275 -0.969 -7.827 1.00 12.06 H new ATOM 0 HD23 LEU A 180 9.588 -1.670 -8.368 1.00 12.06 H new ATOM 1236 N MET A 181 7.542 -5.447 -7.440 1.00 12.35 N ATOM 1237 CA MET A 181 6.686 -6.528 -6.907 1.00 12.41 C ATOM 1238 C MET A 181 5.713 -5.924 -5.904 1.00 12.71 C ATOM 1239 O MET A 181 5.904 -4.781 -5.442 1.00 12.59 O ATOM 1240 CB MET A 181 7.515 -7.641 -6.273 1.00 13.87 C ATOM 1241 CG MET A 181 8.213 -7.149 -4.975 1.00 13.48 C ATOM 1242 SD MET A 181 9.379 -8.339 -4.309 1.00 14.09 S ATOM 1243 CE MET A 181 8.307 -9.648 -3.728 1.00 15.15 C ATOM 0 H MET A 181 7.836 -4.892 -6.852 1.00 12.35 H new ATOM 0 HA MET A 181 6.192 -6.935 -7.636 1.00 12.41 H new ATOM 0 HB2 MET A 181 6.944 -8.398 -6.069 1.00 13.87 H new ATOM 0 HB3 MET A 181 8.182 -7.951 -6.905 1.00 13.87 H new ATOM 0 HG2 MET A 181 8.677 -6.317 -5.159 1.00 13.48 H new ATOM 0 HG3 MET A 181 7.539 -6.955 -4.305 1.00 13.48 H new ATOM 0 HE1 MET A 181 8.841 -10.343 -3.313 1.00 15.15 H new ATOM 0 HE2 MET A 181 7.681 -9.290 -3.079 1.00 15.15 H new ATOM 0 HE3 MET A 181 7.817 -10.021 -4.477 1.00 15.15 H new ATOM 1244 N CYS A 182 4.658 -6.690 -5.609 1.00 11.95 N ATOM 1245 CA CYS A 182 3.644 -6.283 -4.673 1.00 11.96 C ATOM 1246 C CYS A 182 3.516 -7.180 -3.471 1.00 12.09 C ATOM 1247 O CYS A 182 3.785 -8.401 -3.548 1.00 10.98 O ATOM 1248 CB CYS A 182 2.268 -6.261 -5.391 1.00 12.25 C ATOM 1249 SG CYS A 182 2.217 -4.991 -6.691 1.00 13.16 S ATOM 0 H CYS A 182 4.522 -7.465 -5.957 1.00 11.95 H new ATOM 0 HA CYS A 182 3.914 -5.408 -4.354 1.00 11.96 H new ATOM 0 HB2 CYS A 182 2.091 -7.132 -5.780 1.00 12.25 H new ATOM 0 HB3 CYS A 182 1.566 -6.091 -4.743 1.00 12.25 H new ATOM 1250 N ALA A 183 3.034 -6.594 -2.363 1.00 12.01 N ATOM 1251 CA ALA A 183 2.529 -7.372 -1.232 1.00 12.59 C ATOM 1252 C ALA A 183 1.149 -6.874 -0.834 1.00 13.09 C ATOM 1253 O ALA A 183 0.776 -5.734 -1.126 1.00 12.70 O ATOM 1254 CB ALA A 183 3.495 -7.358 -0.039 1.00 12.79 C ATOM 0 H ALA A 183 2.993 -5.742 -2.252 1.00 12.01 H new ATOM 0 HA ALA A 183 2.458 -8.297 -1.515 1.00 12.59 H new ATOM 0 HB1 ALA A 183 3.122 -7.884 0.686 1.00 12.79 H new ATOM 0 HB2 ALA A 183 4.347 -7.736 -0.308 1.00 12.79 H new ATOM 0 HB3 ALA A 183 3.627 -6.445 0.260 1.00 12.79 H new ATOM 1255 N GLU A 184 0.387 -7.749 -0.194 1.00 13.60 N ATOM 1256 CA GLU A 184 -0.913 -7.418 0.293 1.00 14.84 C ATOM 1257 C GLU A 184 -0.832 -6.229 1.289 1.00 15.58 C ATOM 1258 O GLU A 184 0.179 -6.054 2.029 1.00 13.80 O ATOM 1259 CB GLU A 184 -1.591 -8.633 0.950 1.00 16.71 C ATOM 1260 CG GLU A 184 -1.950 -9.761 -0.026 1.00 19.75 C ATOM 1261 CD GLU A 184 -2.734 -10.907 0.629 1.00 23.79 C ATOM 1262 OE1 GLU A 184 -3.331 -10.755 1.723 1.00 27.50 O ATOM 1263 OE2 GLU A 184 -2.652 -12.010 0.099 1.00 25.09 O ATOM 0 H GLU A 184 0.625 -8.560 -0.034 1.00 13.60 H new ATOM 0 HA GLU A 184 -1.457 -7.151 -0.464 1.00 14.84 H new ATOM 0 HB2 GLU A 184 -1.002 -8.987 1.635 1.00 16.71 H new ATOM 0 HB3 GLU A 184 -2.399 -8.337 1.397 1.00 16.71 H new ATOM 0 HG2 GLU A 184 -2.475 -9.394 -0.755 1.00 19.75 H new ATOM 0 HG3 GLU A 184 -1.135 -10.116 -0.414 1.00 19.75 H new ATOM 1264 N SER A 185 -1.892 -5.439 1.274 1.00 14.64 N ATOM 1265 CA SER A 185 -1.966 -4.180 2.040 1.00 17.35 C ATOM 1266 C SER A 185 -3.272 -4.083 2.849 1.00 20.86 C ATOM 1267 O SER A 185 -3.737 -3.004 3.134 1.00 24.11 O ATOM 1268 CB SER A 185 -1.889 -3.023 1.067 1.00 17.27 C ATOM 1269 OG SER A 185 -2.838 -3.189 0.020 1.00 19.19 O ATOM 0 H SER A 185 -2.601 -5.610 0.818 1.00 14.64 H new ATOM 0 HA SER A 185 -1.228 -4.154 2.669 1.00 17.35 H new ATOM 0 HB2 SER A 185 -2.056 -2.189 1.534 1.00 17.27 H new ATOM 0 HB3 SER A 185 -0.995 -2.965 0.695 1.00 17.27 H new ATOM 0 HG SER A 185 -3.456 -2.627 0.110 1.00 19.19 H new ATOM 1270 N ASN A 186 -3.804 -5.221 3.262 1.00 22.31 N ATOM 1271 CA ASN A 186 -5.049 -5.250 3.973 1.00 24.73 C ATOM 1272 C ASN A 186 -4.829 -4.974 5.457 1.00 21.67 C ATOM 1273 O ASN A 186 -4.535 -5.878 6.188 1.00 22.27 O ATOM 1274 CB ASN A 186 -5.707 -6.602 3.753 1.00 28.70 C ATOM 1275 CG ASN A 186 -7.115 -6.648 4.309 1.00 29.48 C ATOM 1276 OD1 ASN A 186 -7.845 -5.639 4.255 1.00 30.73 O ATOM 1277 ND2 ASN A 186 -7.476 -7.779 4.907 1.00 30.47 N ATOM 0 H ASN A 186 -3.448 -5.993 3.134 1.00 22.31 H new ATOM 0 HA ASN A 186 -5.635 -4.554 3.637 1.00 24.73 H new ATOM 0 HB2 ASN A 186 -5.729 -6.799 2.803 1.00 28.70 H new ATOM 0 HB3 ASN A 186 -5.172 -7.293 4.174 1.00 28.70 H new ATOM 0 HD21 ASN A 186 -8.248 -7.840 5.282 1.00 30.47 H new ATOM 0 HD22 ASN A 186 -6.938 -8.450 4.919 1.00 30.47 H new ATOM 1278 N ARG A 187 -4.928 -3.700 5.842 1.00 23.58 N ATOM 1279 CA ARG A 187 -4.680 -3.186 7.204 1.00 22.88 C ATOM 1280 C ARG A 187 -3.187 -3.285 7.643 1.00 24.98 C ATOM 1281 O ARG A 187 -2.641 -2.347 8.230 1.00 28.18 O ATOM 1282 CB ARG A 187 -5.624 -3.871 8.210 1.00 24.23 C ATOM 0 H ARG A 187 -5.152 -3.077 5.293 1.00 23.58 H new ATOM 0 HA ARG A 187 -4.876 -2.236 7.190 1.00 22.88 H new ATOM 1283 N ARG A 188 -2.554 -4.414 7.369 1.00 25.13 N ATOM 1284 CA ARG A 188 -1.097 -4.601 7.568 1.00 26.41 C ATOM 1285 C ARG A 188 -0.394 -4.073 6.344 1.00 23.76 C ATOM 1286 O ARG A 188 -0.690 -4.514 5.231 1.00 20.59 O ATOM 1287 CB ARG A 188 -0.760 -6.073 7.701 1.00 29.46 C ATOM 1288 CG ARG A 188 -1.303 -6.730 8.941 1.00 31.98 C ATOM 1289 CD ARG A 188 -1.250 -8.245 8.760 1.00 36.67 C ATOM 1290 NE ARG A 188 -1.405 -8.904 10.051 1.00 44.16 N ATOM 1291 CZ ARG A 188 -1.893 -10.128 10.268 1.00 51.63 C ATOM 1292 NH1 ARG A 188 -2.286 -10.924 9.266 1.00 58.70 N ATOM 1293 NH2 ARG A 188 -1.974 -10.577 11.526 1.00 53.42 N ATOM 0 H ARG A 188 -2.951 -5.111 7.058 1.00 25.13 H new ATOM 0 HA ARG A 188 -0.821 -4.137 8.374 1.00 26.41 H new ATOM 0 HB2 ARG A 188 -1.102 -6.543 6.924 1.00 29.46 H new ATOM 0 HB3 ARG A 188 0.205 -6.174 7.692 1.00 29.46 H new ATOM 0 HG2 ARG A 188 -0.783 -6.466 9.716 1.00 31.98 H new ATOM 0 HG3 ARG A 188 -2.216 -6.443 9.101 1.00 31.98 H new ATOM 0 HD2 ARG A 188 -1.952 -8.531 8.155 1.00 36.67 H new ATOM 0 HD3 ARG A 188 -0.406 -8.501 8.356 1.00 36.67 H new ATOM 0 HE ARG A 188 -1.157 -8.459 10.744 1.00 44.16 H new ATOM 0 HH11 ARG A 188 -2.228 -10.652 8.452 1.00 58.70 H new ATOM 0 HH12 ARG A 188 -2.596 -11.708 9.436 1.00 58.70 H new ATOM 0 HH21 ARG A 188 -1.714 -10.080 12.178 1.00 53.42 H new ATOM 0 HH22 ARG A 188 -2.286 -11.363 11.683 1.00 53.42 H new ATOM 1294 N ASP A 189 0.520 -3.124 6.518 1.00 20.50 N ATOM 1295 CA ASP A 189 1.115 -2.458 5.354 1.00 18.16 C ATOM 1296 C ASP A 189 2.370 -1.674 5.699 1.00 18.19 C ATOM 1297 O ASP A 189 2.576 -1.255 6.835 1.00 20.27 O ATOM 1298 CB ASP A 189 0.108 -1.507 4.696 1.00 16.82 C ATOM 1299 CG ASP A 189 0.390 -1.233 3.246 1.00 17.94 C ATOM 1300 OD1 ASP A 189 1.375 -1.771 2.635 1.00 17.06 O ATOM 1301 OD2 ASP A 189 -0.415 -0.463 2.683 1.00 16.04 O ATOM 0 H ASP A 189 0.807 -2.853 7.282 1.00 20.50 H new ATOM 0 HA ASP A 189 1.361 -3.167 4.739 1.00 18.16 H new ATOM 0 HB2 ASP A 189 -0.782 -1.885 4.778 1.00 16.82 H new ATOM 0 HB3 ASP A 189 0.105 -0.667 5.181 1.00 16.82 H new ATOM 1302 N SER A 190 3.155 -1.401 4.664 1.00 18.35 N ATOM 1303 CA SER A 190 4.184 -0.350 4.725 1.00 17.58 C ATOM 1304 C SER A 190 3.528 1.001 4.473 1.00 18.56 C ATOM 1305 O SER A 190 2.483 1.109 3.802 1.00 16.50 O ATOM 1306 CB SER A 190 5.330 -0.641 3.728 1.00 17.52 C ATOM 1307 OG SER A 190 4.849 -0.875 2.419 1.00 18.88 O ATOM 0 H SER A 190 3.113 -1.812 3.910 1.00 18.35 H new ATOM 0 HA SER A 190 4.587 -0.335 5.607 1.00 17.58 H new ATOM 0 HB2 SER A 190 5.945 0.109 3.716 1.00 17.52 H new ATOM 0 HB3 SER A 190 5.831 -1.414 4.030 1.00 17.52 H new ATOM 0 HG SER A 190 4.861 -1.700 2.259 1.00 18.88 H new ATOM 1308 N CYS A 191 4.118 2.039 5.049 1.00 17.02 N ATOM 1309 CA CYS A 191 3.611 3.371 4.877 1.00 15.86 C ATOM 1310 C CYS A 191 4.733 4.451 4.850 1.00 15.43 C ATOM 1311 O CYS A 191 5.894 4.134 4.570 1.00 15.01 O ATOM 1312 CB CYS A 191 2.576 3.612 5.990 1.00 17.50 C ATOM 1313 SG CYS A 191 1.424 4.921 5.574 1.00 17.20 S ATOM 0 H CYS A 191 4.818 1.983 5.545 1.00 17.02 H new ATOM 0 HA CYS A 191 3.189 3.453 4.008 1.00 15.86 H new ATOM 0 HB2 CYS A 191 2.085 2.792 6.155 1.00 17.50 H new ATOM 0 HB3 CYS A 191 3.036 3.838 6.813 1.00 17.50 H new ATOM 1314 N LYS A 192 4.344 5.708 5.012 1.00 13.73 N ATOM 1315 CA LYS A 192 5.252 6.843 5.028 1.00 16.19 C ATOM 1316 C LYS A 192 6.378 6.637 6.054 1.00 14.20 C ATOM 1317 O LYS A 192 6.121 6.313 7.186 1.00 15.11 O ATOM 1318 CB LYS A 192 4.511 8.108 5.438 1.00 17.53 C ATOM 1319 CG LYS A 192 5.376 9.344 5.351 1.00 20.91 C ATOM 1320 CD LYS A 192 4.548 10.628 5.314 1.00 22.47 C ATOM 1321 CE LYS A 192 5.381 11.759 5.850 1.00 27.32 C ATOM 1322 NZ LYS A 192 4.908 13.064 5.341 1.00 32.74 N ATOM 0 H LYS A 192 3.520 5.930 5.119 1.00 13.73 H new ATOM 0 HA LYS A 192 5.618 6.924 4.133 1.00 16.19 H new ATOM 0 HB2 LYS A 192 3.733 8.221 4.870 1.00 17.53 H new ATOM 0 HB3 LYS A 192 4.186 8.008 6.347 1.00 17.53 H new ATOM 0 HG2 LYS A 192 5.977 9.370 6.112 1.00 20.91 H new ATOM 0 HG3 LYS A 192 5.929 9.295 4.555 1.00 20.91 H new ATOM 0 HD2 LYS A 192 4.266 10.820 4.406 1.00 22.47 H new ATOM 0 HD3 LYS A 192 3.743 10.523 5.845 1.00 22.47 H new ATOM 0 HE2 LYS A 192 5.348 11.756 6.819 1.00 27.32 H new ATOM 0 HE3 LYS A 192 6.308 11.628 5.598 1.00 27.32 H new ATOM 0 HZ1 LYS A 192 5.417 13.714 5.673 1.00 32.74 H new ATOM 0 HZ2 LYS A 192 4.958 13.072 4.452 1.00 32.74 H new ATOM 0 HZ3 LYS A 192 4.063 13.192 5.591 1.00 32.74 H new ATOM 1323 N GLY A 193 7.617 6.830 5.625 1.00 13.88 N ATOM 1324 CA GLY A 193 8.767 6.612 6.476 1.00 13.24 C ATOM 1325 C GLY A 193 9.317 5.178 6.469 1.00 13.23 C ATOM 1326 O GLY A 193 10.440 4.975 6.971 1.00 11.61 O ATOM 0 H GLY A 193 7.812 7.092 4.829 1.00 13.88 H new ATOM 0 HA2 GLY A 193 9.474 7.217 6.202 1.00 13.24 H new ATOM 0 HA3 GLY A 193 8.528 6.848 7.386 1.00 13.24 H new ATOM 1327 N ASP A 194 8.583 4.213 5.892 1.00 10.96 N ATOM 1328 CA ASP A 194 9.120 2.866 5.680 1.00 11.54 C ATOM 1329 C ASP A 194 9.858 2.741 4.318 1.00 11.23 C ATOM 1330 O ASP A 194 10.639 1.813 4.103 1.00 11.38 O ATOM 1331 CB ASP A 194 8.036 1.832 5.787 1.00 11.79 C ATOM 1332 CG ASP A 194 7.349 1.848 7.105 1.00 12.19 C ATOM 1333 OD1 ASP A 194 8.027 1.854 8.152 1.00 11.98 O ATOM 1334 OD2 ASP A 194 6.106 1.741 7.116 1.00 13.77 O ATOM 0 H ASP A 194 7.775 4.322 5.618 1.00 10.96 H new ATOM 0 HA ASP A 194 9.771 2.707 6.381 1.00 11.54 H new ATOM 0 HB2 ASP A 194 7.383 1.981 5.085 1.00 11.79 H new ATOM 0 HB3 ASP A 194 8.418 0.953 5.637 1.00 11.79 H new ATOM 1335 N SER A 195 9.597 3.682 3.421 1.00 11.86 N ATOM 1336 CA SER A 195 10.422 3.934 2.234 1.00 11.70 C ATOM 1337 C SER A 195 11.869 3.604 2.383 1.00 10.23 C ATOM 1338 O SER A 195 12.552 4.093 3.280 1.00 9.25 O ATOM 1339 CB SER A 195 10.308 5.400 1.867 1.00 13.76 C ATOM 1340 OG SER A 195 8.954 5.557 1.617 1.00 17.21 O ATOM 0 H SER A 195 8.919 4.208 3.482 1.00 11.86 H new ATOM 0 HA SER A 195 10.079 3.342 1.547 1.00 11.70 H new ATOM 0 HB2 SER A 195 10.609 5.975 2.588 1.00 13.76 H new ATOM 0 HB3 SER A 195 10.844 5.618 1.089 1.00 13.76 H new ATOM 0 HG SER A 195 8.615 4.811 1.432 1.00 17.21 H new ATOM 1341 N GLY A 196 12.369 2.758 1.503 1.00 9.90 N ATOM 1342 CA GLY A 196 13.793 2.475 1.535 1.00 9.66 C ATOM 1343 C GLY A 196 14.171 1.260 2.328 1.00 9.35 C ATOM 1344 O GLY A 196 15.306 0.760 2.172 1.00 9.73 O ATOM 0 H GLY A 196 11.920 2.347 0.896 1.00 9.90 H new ATOM 0 HA2 GLY A 196 14.109 2.364 0.625 1.00 9.66 H new ATOM 0 HA3 GLY A 196 14.255 3.244 1.904 1.00 9.66 H new ATOM 1345 N GLY A 197 13.240 0.764 3.131 1.00 9.30 N ATOM 1346 CA GLY A 197 13.495 -0.401 3.953 1.00 9.56 C ATOM 1347 C GLY A 197 13.339 -1.719 3.243 1.00 9.42 C ATOM 1348 O GLY A 197 12.849 -1.737 2.128 1.00 9.12 O ATOM 0 H GLY A 197 12.449 1.092 3.213 1.00 9.30 H new ATOM 0 HA2 GLY A 197 14.397 -0.342 4.305 1.00 9.56 H new ATOM 0 HA3 GLY A 197 12.892 -0.384 4.713 1.00 9.56 H new ATOM 1349 N PRO A 198 13.689 -2.845 3.936 1.00 10.41 N ATOM 1350 CA PRO A 198 13.796 -4.167 3.354 1.00 11.38 C ATOM 1351 C PRO A 198 12.488 -4.978 3.338 1.00 11.91 C ATOM 1352 O PRO A 198 11.741 -4.935 4.286 1.00 15.22 O ATOM 1353 CB PRO A 198 14.821 -4.849 4.275 1.00 11.83 C ATOM 1354 CG PRO A 198 14.588 -4.262 5.601 1.00 11.97 C ATOM 1355 CD PRO A 198 14.054 -2.868 5.373 1.00 11.18 C ATOM 0 HA PRO A 198 14.039 -4.112 2.417 1.00 11.38 H new ATOM 0 HB2 PRO A 198 14.695 -5.811 4.289 1.00 11.83 H new ATOM 0 HB3 PRO A 198 15.728 -4.686 3.973 1.00 11.83 H new ATOM 0 HG2 PRO A 198 13.954 -4.795 6.107 1.00 11.97 H new ATOM 0 HG3 PRO A 198 15.410 -4.236 6.115 1.00 11.97 H new ATOM 0 HD2 PRO A 198 13.285 -2.687 5.936 1.00 11.18 H new ATOM 0 HD3 PRO A 198 14.722 -2.195 5.579 1.00 11.18 H new ATOM 1356 N LEU A 199 12.140 -5.569 2.195 1.00 11.30 N ATOM 1357 CA ALEU A 199 11.186 -6.677 2.134 0.50 10.74 C ATOM 1358 CA BLEU A 199 11.195 -6.678 2.150 0.50 10.65 C ATOM 1359 C LEU A 199 12.037 -7.950 2.030 1.00 10.67 C ATOM 1360 O LEU A 199 12.703 -8.158 1.005 1.00 11.35 O ATOM 1361 CB ALEU A 199 10.221 -6.501 0.938 0.50 10.84 C ATOM 1362 CB BLEU A 199 10.200 -6.512 0.991 0.50 10.65 C ATOM 1363 CG ALEU A 199 9.109 -7.549 0.754 0.50 10.77 C ATOM 1364 CG BLEU A 199 9.205 -7.666 0.845 0.50 10.49 C ATOM 1365 CD1ALEU A 199 8.185 -7.611 1.962 0.50 10.69 C ATOM 1366 CD1BLEU A 199 7.779 -7.181 1.022 0.50 10.49 C ATOM 1367 CD2ALEU A 199 8.282 -7.311 -0.508 0.50 10.51 C ATOM 1368 CD2BLEU A 199 9.382 -8.399 -0.481 0.50 9.94 C ATOM 0 H ALEU A 199 12.453 -5.337 1.428 0.50 11.30 H new ATOM 0 H BLEU A 199 12.446 -5.337 1.426 0.50 11.30 H new ATOM 0 HA ALEU A 199 10.615 -6.718 2.917 0.50 10.65 H new ATOM 0 HA BLEU A 199 10.646 -6.715 2.949 0.50 10.65 H new ATOM 0 HB2ALEU A 199 9.800 -5.631 1.020 0.50 10.65 H new ATOM 0 HB2BLEU A 199 9.706 -5.687 1.118 0.50 10.65 H new ATOM 0 HB3ALEU A 199 10.752 -6.484 0.126 0.50 10.65 H new ATOM 0 HB3BLEU A 199 10.697 -6.420 0.163 0.50 10.65 H new ATOM 0 HG ALEU A 199 9.565 -8.400 0.661 0.50 10.49 H new ATOM 0 HG BLEU A 199 9.392 -8.304 1.552 0.50 10.49 H new ATOM 0 HD11ALEU A 199 7.499 -8.280 1.811 0.50 10.49 H new ATOM 0 HD11BLEU A 199 7.168 -7.928 0.925 0.50 10.49 H new ATOM 0 HD12ALEU A 199 8.698 -7.847 2.750 0.50 10.49 H new ATOM 0 HD12BLEU A 199 7.676 -6.792 1.905 0.50 10.49 H new ATOM 0 HD13ALEU A 199 7.768 -6.745 2.096 0.50 10.49 H new ATOM 0 HD13BLEU A 199 7.579 -6.511 0.349 0.50 10.49 H new ATOM 0 HD21ALEU A 199 7.597 -7.994 -0.580 0.50 9.94 H new ATOM 0 HD21BLEU A 199 8.738 -9.122 -0.540 0.50 9.94 H new ATOM 0 HD22ALEU A 199 7.863 -6.437 -0.461 0.50 9.94 H new ATOM 0 HD22BLEU A 199 9.241 -7.780 -1.214 0.50 9.94 H new ATOM 0 HD23ALEU A 199 8.860 -7.350 -1.286 0.50 9.94 H new ATOM 0 HD23BLEU A 199 10.280 -8.762 -0.533 0.50 9.94 H new ATOM 1369 N VAL A 200 12.061 -8.756 3.114 1.00 10.19 N ATOM 1370 CA VAL A 200 12.898 -9.943 3.283 1.00 10.46 C ATOM 1371 C VAL A 200 12.056 -11.243 3.174 1.00 11.31 C ATOM 1372 O VAL A 200 11.052 -11.438 3.856 1.00 11.02 O ATOM 1373 CB VAL A 200 13.635 -9.876 4.643 1.00 10.75 C ATOM 1374 CG1 VAL A 200 14.572 -11.089 4.871 1.00 11.55 C ATOM 1375 CG2 VAL A 200 14.377 -8.552 4.708 1.00 10.63 C ATOM 0 H VAL A 200 11.561 -8.609 3.798 1.00 10.19 H new ATOM 0 HA VAL A 200 13.555 -9.961 2.570 1.00 10.46 H new ATOM 0 HB VAL A 200 12.988 -9.924 5.364 1.00 10.75 H new ATOM 0 HG11 VAL A 200 15.010 -11.003 5.732 1.00 11.55 H new ATOM 0 HG12 VAL A 200 14.052 -11.908 4.854 1.00 11.55 H new ATOM 0 HG13 VAL A 200 15.242 -11.117 4.170 1.00 11.55 H new ATOM 0 HG21 VAL A 200 14.848 -8.486 5.553 1.00 10.63 H new ATOM 0 HG22 VAL A 200 15.014 -8.502 3.978 1.00 10.63 H new ATOM 0 HG23 VAL A 200 13.743 -7.822 4.634 1.00 10.63 H new ATOM 1376 N CYS A 201 12.463 -12.108 2.261 1.00 12.09 N ATOM 1377 CA CYS A 201 11.760 -13.374 1.999 1.00 14.35 C ATOM 1378 C CYS A 201 12.786 -14.486 2.091 1.00 14.93 C ATOM 1379 O CYS A 201 13.829 -14.462 1.402 1.00 14.49 O ATOM 1380 CB CYS A 201 11.087 -13.362 0.627 1.00 13.86 C ATOM 1381 SG CYS A 201 10.139 -11.885 0.259 1.00 14.10 S ATOM 0 H CYS A 201 13.157 -11.986 1.768 1.00 12.09 H new ATOM 0 HA CYS A 201 11.054 -13.507 2.651 1.00 14.35 H new ATOM 0 HB2 CYS A 201 11.770 -13.470 -0.054 1.00 13.86 H new ATOM 0 HB3 CYS A 201 10.499 -14.131 0.564 1.00 13.86 H new ATOM 1382 N GLY A 202 12.534 -15.429 2.978 1.00 15.60 N ATOM 1383 CA GLY A 202 13.489 -16.520 3.190 1.00 16.54 C ATOM 1384 C GLY A 202 14.906 -16.141 3.579 1.00 15.88 C ATOM 1385 O GLY A 202 15.860 -16.792 3.166 1.00 17.05 O ATOM 0 H GLY A 202 11.827 -15.464 3.467 1.00 15.60 H new ATOM 0 HA2 GLY A 202 13.133 -17.100 3.881 1.00 16.54 H new ATOM 0 HA3 GLY A 202 13.532 -17.044 2.375 1.00 16.54 H new ATOM 1386 N GLY A 207 15.054 -15.080 4.372 1.00 15.42 N ATOM 1387 CA GLY A 207 16.310 -14.655 4.881 1.00 14.16 C ATOM 1388 C GLY A 207 17.097 -13.893 3.825 1.00 13.46 C ATOM 1389 O GLY A 207 18.244 -13.568 4.035 1.00 14.58 O ATOM 0 H GLY A 207 14.396 -14.587 4.624 1.00 15.42 H new ATOM 0 HA2 GLY A 207 16.174 -14.090 5.658 1.00 14.16 H new ATOM 0 HA3 GLY A 207 16.820 -15.425 5.176 1.00 14.16 H new ATOM 1390 N VAL A 208 16.489 -13.546 2.701 1.00 13.03 N ATOM 1391 CA VAL A 208 17.188 -12.860 1.611 1.00 12.87 C ATOM 1392 C VAL A 208 16.425 -11.557 1.240 1.00 13.44 C ATOM 1393 O VAL A 208 15.173 -11.531 1.208 1.00 12.54 O ATOM 1394 CB VAL A 208 17.324 -13.778 0.399 1.00 13.20 C ATOM 1395 CG1 VAL A 208 18.040 -13.098 -0.730 1.00 14.30 C ATOM 1396 CG2 VAL A 208 18.133 -15.007 0.774 1.00 13.65 C ATOM 0 H VAL A 208 15.658 -13.699 2.543 1.00 13.03 H new ATOM 0 HA VAL A 208 18.082 -12.624 1.905 1.00 12.87 H new ATOM 0 HB VAL A 208 16.427 -14.017 0.118 1.00 13.20 H new ATOM 0 HG11 VAL A 208 18.110 -13.706 -1.482 1.00 14.30 H new ATOM 0 HG12 VAL A 208 17.545 -12.308 -0.998 1.00 14.30 H new ATOM 0 HG13 VAL A 208 18.929 -12.839 -0.441 1.00 14.30 H new ATOM 0 HG21 VAL A 208 18.217 -15.587 0.001 1.00 13.65 H new ATOM 0 HG22 VAL A 208 19.015 -14.735 1.071 1.00 13.65 H new ATOM 0 HG23 VAL A 208 17.684 -15.484 1.489 1.00 13.65 H new ATOM 1397 N LEU A 209 17.186 -10.486 1.026 1.00 12.27 N ATOM 1398 CA LEU A 209 16.597 -9.234 0.553 1.00 12.15 C ATOM 1399 C LEU A 209 16.016 -9.413 -0.841 1.00 11.48 C ATOM 1400 O LEU A 209 16.714 -9.784 -1.797 1.00 11.46 O ATOM 1401 CB LEU A 209 17.602 -8.064 0.591 1.00 12.19 C ATOM 1402 CG LEU A 209 17.025 -6.696 0.215 1.00 13.23 C ATOM 1403 CD1 LEU A 209 15.997 -6.179 1.227 1.00 12.72 C ATOM 1404 CD2 LEU A 209 18.151 -5.695 -0.045 1.00 12.80 C ATOM 0 H LEU A 209 18.037 -10.462 1.147 1.00 12.27 H new ATOM 0 HA LEU A 209 15.878 -9.003 1.161 1.00 12.15 H new ATOM 0 HB2 LEU A 209 17.976 -8.007 1.484 1.00 12.19 H new ATOM 0 HB3 LEU A 209 18.335 -8.266 -0.011 1.00 12.19 H new ATOM 0 HG LEU A 209 16.529 -6.807 -0.611 1.00 13.23 H new ATOM 0 HD11 LEU A 209 15.667 -5.313 0.940 1.00 12.72 H new ATOM 0 HD12 LEU A 209 15.257 -6.804 1.285 1.00 12.72 H new ATOM 0 HD13 LEU A 209 16.415 -6.092 2.098 1.00 12.72 H new ATOM 0 HD21 LEU A 209 17.771 -4.834 -0.282 1.00 12.80 H new ATOM 0 HD22 LEU A 209 18.691 -5.600 0.755 1.00 12.80 H new ATOM 0 HD23 LEU A 209 18.706 -6.014 -0.774 1.00 12.80 H new ATOM 1405 N GLU A 210 14.719 -9.168 -0.949 1.00 11.30 N ATOM 1406 CA GLU A 210 14.004 -9.309 -2.196 1.00 11.96 C ATOM 1407 C GLU A 210 13.570 -7.994 -2.784 1.00 11.71 C ATOM 1408 O GLU A 210 13.633 -7.811 -4.004 1.00 11.34 O ATOM 1409 CB GLU A 210 12.719 -10.088 -1.986 1.00 13.31 C ATOM 1410 CG GLU A 210 12.732 -11.543 -2.245 1.00 16.26 C ATOM 1411 CD GLU A 210 13.356 -12.089 -3.542 1.00 16.25 C ATOM 1412 OE1 GLU A 210 12.968 -11.755 -4.685 1.00 20.27 O ATOM 1413 OE2 GLU A 210 14.070 -13.072 -3.366 1.00 18.17 O ATOM 0 H GLU A 210 14.228 -8.913 -0.291 1.00 11.30 H new ATOM 0 HA GLU A 210 14.627 -9.755 -2.791 1.00 11.96 H new ATOM 0 HB2 GLU A 210 12.438 -9.953 -1.067 1.00 13.31 H new ATOM 0 HB3 GLU A 210 12.037 -9.693 -2.552 1.00 13.31 H new ATOM 0 HG2 GLU A 210 13.194 -11.964 -1.503 1.00 16.26 H new ATOM 0 HG3 GLU A 210 11.812 -11.849 -2.216 1.00 16.26 H new ATOM 1414 N GLY A 211 12.996 -7.148 -1.932 1.00 11.20 N ATOM 1415 CA GLY A 211 12.509 -5.862 -2.368 1.00 11.13 C ATOM 1416 C GLY A 211 12.914 -4.731 -1.450 1.00 10.57 C ATOM 1417 O GLY A 211 13.294 -4.944 -0.305 1.00 10.38 O ATOM 0 H GLY A 211 12.883 -7.309 -1.095 1.00 11.20 H new ATOM 0 HA2 GLY A 211 12.843 -5.682 -3.261 1.00 11.13 H new ATOM 0 HA3 GLY A 211 11.541 -5.892 -2.428 1.00 11.13 H new ATOM 1418 N VAL A 212 12.784 -3.507 -1.977 1.00 10.00 N ATOM 1419 CA VAL A 212 12.939 -2.312 -1.202 1.00 10.56 C ATOM 1420 C VAL A 212 11.630 -1.506 -1.246 1.00 10.69 C ATOM 1421 O VAL A 212 11.099 -1.282 -2.330 1.00 10.08 O ATOM 1422 CB VAL A 212 14.110 -1.490 -1.791 1.00 10.79 C ATOM 1423 CG1 VAL A 212 14.209 -0.113 -1.141 1.00 12.10 C ATOM 1424 CG2 VAL A 212 15.399 -2.263 -1.690 1.00 10.61 C ATOM 0 H VAL A 212 12.601 -3.365 -2.805 1.00 10.00 H new ATOM 0 HA VAL A 212 13.136 -2.527 -0.277 1.00 10.56 H new ATOM 0 HB VAL A 212 13.934 -1.337 -2.732 1.00 10.79 H new ATOM 0 HG11 VAL A 212 14.950 0.376 -1.531 1.00 12.10 H new ATOM 0 HG12 VAL A 212 13.385 0.376 -1.291 1.00 12.10 H new ATOM 0 HG13 VAL A 212 14.355 -0.215 -0.187 1.00 12.10 H new ATOM 0 HG21 VAL A 212 16.123 -1.736 -2.063 1.00 10.61 H new ATOM 0 HG22 VAL A 212 15.588 -2.458 -0.759 1.00 10.61 H new ATOM 0 HG23 VAL A 212 15.318 -3.094 -2.184 1.00 10.61 H new ATOM 1425 N VAL A 213 11.192 -0.955 -0.097 1.00 11.05 N ATOM 1426 CA VAL A 213 9.928 -0.203 -0.038 1.00 11.35 C ATOM 1427 C VAL A 213 10.063 1.017 -0.989 1.00 11.38 C ATOM 1428 O VAL A 213 11.017 1.776 -0.841 1.00 10.03 O ATOM 1429 CB VAL A 213 9.565 0.274 1.408 1.00 12.50 C ATOM 1430 CG1 VAL A 213 8.153 0.846 1.457 1.00 13.01 C ATOM 1431 CG2 VAL A 213 9.639 -0.872 2.441 1.00 12.83 C ATOM 0 H VAL A 213 11.611 -1.007 0.652 1.00 11.05 H new ATOM 0 HA VAL A 213 9.206 -0.789 -0.312 1.00 11.35 H new ATOM 0 HB VAL A 213 10.219 0.954 1.634 1.00 12.50 H new ATOM 0 HG11 VAL A 213 7.952 1.134 2.361 1.00 13.01 H new ATOM 0 HG12 VAL A 213 8.090 1.604 0.855 1.00 13.01 H new ATOM 0 HG13 VAL A 213 7.518 0.165 1.186 1.00 13.01 H new ATOM 0 HG21 VAL A 213 9.407 -0.532 3.319 1.00 12.83 H new ATOM 0 HG22 VAL A 213 9.017 -1.573 2.192 1.00 12.83 H new ATOM 0 HG23 VAL A 213 10.540 -1.232 2.462 1.00 12.83 H new ATOM 1432 N THR A 214 9.091 1.223 -1.906 1.00 11.67 N ATOM 1433 CA THR A 214 9.070 2.435 -2.696 1.00 12.90 C ATOM 1434 C THR A 214 8.839 3.698 -1.870 1.00 13.18 C ATOM 1435 O THR A 214 8.266 3.640 -0.805 1.00 12.48 O ATOM 1436 CB THR A 214 8.019 2.390 -3.838 1.00 13.48 C ATOM 1437 OG1 THR A 214 6.716 2.132 -3.293 1.00 13.45 O ATOM 1438 CG2 THR A 214 8.437 1.307 -4.793 1.00 14.20 C ATOM 0 H THR A 214 8.452 0.672 -2.071 1.00 11.67 H new ATOM 0 HA THR A 214 9.960 2.478 -3.080 1.00 12.90 H new ATOM 0 HB THR A 214 7.973 3.239 -4.305 1.00 13.48 H new ATOM 0 HG1 THR A 214 6.205 2.774 -3.472 1.00 13.45 H new ATOM 0 HG21 THR A 214 7.798 1.253 -5.521 1.00 14.20 H new ATOM 0 HG22 THR A 214 9.316 1.511 -5.149 1.00 14.20 H new ATOM 0 HG23 THR A 214 8.467 0.457 -4.326 1.00 14.20 H new ATOM 1439 N SER A 215 9.291 4.820 -2.401 1.00 15.57 N ATOM 1440 CA SER A 215 9.246 6.114 -1.708 1.00 15.87 C ATOM 1441 C SER A 215 8.271 7.089 -2.410 1.00 17.33 C ATOM 1442 O SER A 215 8.350 8.299 -2.211 1.00 18.94 O ATOM 1443 CB SER A 215 10.651 6.736 -1.678 1.00 17.53 C ATOM 1444 OG SER A 215 11.203 6.919 -2.981 1.00 20.21 O ATOM 0 H SER A 215 9.640 4.861 -3.186 1.00 15.57 H new ATOM 0 HA SER A 215 8.932 5.960 -0.803 1.00 15.87 H new ATOM 0 HB2 SER A 215 10.611 7.593 -1.225 1.00 17.53 H new ATOM 0 HB3 SER A 215 11.241 6.168 -1.158 1.00 17.53 H new ATOM 0 HG SER A 215 10.931 6.308 -3.489 1.00 20.21 H new ATOM 1445 N GLY A 216 7.360 6.570 -3.227 1.00 17.58 N ATOM 1446 CA GLY A 216 6.267 7.379 -3.783 1.00 17.86 C ATOM 1447 C GLY A 216 5.120 7.361 -2.832 1.00 17.54 C ATOM 1448 O GLY A 216 4.845 6.341 -2.200 1.00 19.53 O ATOM 0 H GLY A 216 7.353 5.747 -3.476 1.00 17.58 H new ATOM 0 HA2 GLY A 216 6.566 8.290 -3.931 1.00 17.86 H new ATOM 0 HA3 GLY A 216 5.994 7.027 -4.645 1.00 17.86 H new ATOM 1449 N SER A 217 4.452 8.507 -2.675 1.00 16.87 N ATOM 1450 CA SER A 217 3.277 8.573 -1.815 1.00 15.61 C ATOM 1451 C SER A 217 2.187 7.626 -2.311 1.00 16.02 C ATOM 1452 O SER A 217 2.009 7.459 -3.510 1.00 17.61 O ATOM 1453 CB SER A 217 2.733 10.025 -1.734 1.00 15.30 C ATOM 1454 OG SER A 217 3.646 10.931 -1.156 1.00 15.05 O ATOM 0 H SER A 217 4.663 9.249 -3.055 1.00 16.87 H new ATOM 0 HA SER A 217 3.543 8.295 -0.925 1.00 15.61 H new ATOM 0 HB2 SER A 217 2.506 10.329 -2.627 1.00 15.30 H new ATOM 0 HB3 SER A 217 1.913 10.028 -1.217 1.00 15.30 H new ATOM 0 HG SER A 217 4.409 10.582 -1.130 1.00 15.05 H new ATOM 1455 N ARG A 218 1.463 6.995 -1.397 1.00 15.41 N ATOM 1456 CA ARG A 218 0.478 5.996 -1.729 1.00 15.82 C ATOM 1457 C ARG A 218 -0.362 5.776 -0.536 1.00 17.47 C ATOM 1458 O ARG A 218 0.075 5.972 0.631 1.00 16.90 O ATOM 1459 CB ARG A 218 1.073 4.628 -2.146 1.00 16.91 C ATOM 1460 CG ARG A 218 2.189 4.066 -1.227 1.00 15.05 C ATOM 1461 CD ARG A 218 2.549 2.610 -1.557 1.00 14.02 C ATOM 1462 NE ARG A 218 1.450 1.656 -1.269 1.00 12.66 N ATOM 1463 CZ ARG A 218 1.170 1.134 -0.078 1.00 12.38 C ATOM 1464 NH1 ARG A 218 1.891 1.403 1.017 1.00 13.12 N ATOM 1465 NH2 ARG A 218 0.173 0.275 0.042 1.00 13.62 N ATOM 0 H ARG A 218 1.536 7.142 -0.553 1.00 15.41 H new ATOM 0 HA ARG A 218 -0.016 6.333 -2.493 1.00 15.82 H new ATOM 0 HB2 ARG A 218 0.353 3.980 -2.184 1.00 16.91 H new ATOM 0 HB3 ARG A 218 1.429 4.710 -3.045 1.00 16.91 H new ATOM 0 HG2 ARG A 218 2.982 4.619 -1.312 1.00 15.05 H new ATOM 0 HG3 ARG A 218 1.901 4.123 -0.302 1.00 15.05 H new ATOM 0 HD2 ARG A 218 2.787 2.547 -2.495 1.00 14.02 H new ATOM 0 HD3 ARG A 218 3.334 2.354 -1.048 1.00 14.02 H new ATOM 0 HE ARG A 218 0.951 1.420 -1.929 1.00 12.66 H new ATOM 0 HH11 ARG A 218 2.567 1.933 0.968 1.00 13.12 H new ATOM 0 HH12 ARG A 218 1.679 1.046 1.770 1.00 13.12 H new ATOM 0 HH21 ARG A 218 -0.291 0.056 -0.648 1.00 13.62 H new ATOM 0 HH22 ARG A 218 -0.012 -0.065 0.810 1.00 13.62 H new ATOM 1466 N VAL A 219 -1.580 5.339 -0.809 1.00 17.55 N ATOM 1467 CA VAL A 219 -2.484 5.041 0.261 1.00 17.80 C ATOM 1468 C VAL A 219 -1.987 3.800 1.036 1.00 18.81 C ATOM 1469 O VAL A 219 -1.485 2.825 0.431 1.00 19.71 O ATOM 1470 CB VAL A 219 -3.933 4.994 -0.283 1.00 18.02 C ATOM 1471 CG1 VAL A 219 -4.182 3.842 -1.284 1.00 18.36 C ATOM 1472 CG2 VAL A 219 -4.931 5.040 0.862 1.00 16.88 C ATOM 0 H VAL A 219 -1.892 5.212 -1.600 1.00 17.55 H new ATOM 0 HA VAL A 219 -2.503 5.743 0.931 1.00 17.80 H new ATOM 0 HB VAL A 219 -4.071 5.792 -0.817 1.00 18.02 H new ATOM 0 HG11 VAL A 219 -5.104 3.868 -1.585 1.00 18.36 H new ATOM 0 HG12 VAL A 219 -3.590 3.942 -2.046 1.00 18.36 H new ATOM 0 HG13 VAL A 219 -4.009 2.992 -0.849 1.00 18.36 H new ATOM 0 HG21 VAL A 219 -5.833 5.010 0.507 1.00 16.88 H new ATOM 0 HG22 VAL A 219 -4.789 4.279 1.446 1.00 16.88 H new ATOM 0 HG23 VAL A 219 -4.809 5.861 1.365 1.00 16.88 H new ATOM 1473 N CYS A 220 -2.072 3.861 2.357 1.00 17.72 N ATOM 1474 CA CYS A 220 -1.599 2.780 3.221 1.00 18.31 C ATOM 1475 C CYS A 220 -2.759 2.028 3.811 1.00 18.80 C ATOM 1476 O CYS A 220 -3.728 2.686 4.225 1.00 16.84 O ATOM 1477 CB CYS A 220 -0.816 3.365 4.389 1.00 17.89 C ATOM 1478 SG CYS A 220 0.541 4.373 3.802 1.00 19.51 S ATOM 0 H CYS A 220 -2.406 4.530 2.782 1.00 17.72 H new ATOM 0 HA CYS A 220 -1.049 2.190 2.682 1.00 18.31 H new ATOM 0 HB2 CYS A 220 -1.405 3.900 4.944 1.00 17.89 H new ATOM 0 HB3 CYS A 220 -0.475 2.648 4.946 1.00 17.89 H new ATOM 1479 N GLY A 221 -2.636 0.692 3.915 1.00 16.24 N ATOM 1480 CA GLY A 221 -3.600 -0.156 4.630 1.00 17.98 C ATOM 1481 C GLY A 221 -4.914 -0.504 3.880 1.00 18.51 C ATOM 1482 O GLY A 221 -5.793 -1.157 4.435 1.00 20.58 O ATOM 0 H GLY A 221 -1.983 0.253 3.568 1.00 16.24 H new ATOM 0 HA2 GLY A 221 -3.157 -0.986 4.865 1.00 17.98 H new ATOM 0 HA3 GLY A 221 -3.834 0.286 5.461 1.00 17.98 H new ATOM 1483 N ASN A 222 -5.058 -0.044 2.650 1.00 19.90 N ATOM 1484 CA ASN A 222 -6.197 -0.383 1.788 1.00 19.88 C ATOM 1485 C ASN A 222 -5.847 -1.631 0.935 1.00 20.49 C ATOM 1486 O ASN A 222 -5.058 -1.549 -0.024 1.00 16.67 O ATOM 1487 CB ASN A 222 -6.491 0.818 0.895 1.00 20.76 C ATOM 1488 CG ASN A 222 -7.696 0.617 -0.035 1.00 21.42 C ATOM 1489 OD1 ASN A 222 -8.185 -0.477 -0.190 1.00 20.13 O ATOM 1490 ND2 ASN A 222 -8.119 1.691 -0.694 1.00 22.25 N ATOM 0 H ASN A 222 -4.491 0.484 2.278 1.00 19.90 H new ATOM 0 HA ASN A 222 -6.981 -0.591 2.320 1.00 19.88 H new ATOM 0 HB2 ASN A 222 -6.650 1.595 1.454 1.00 20.76 H new ATOM 0 HB3 ASN A 222 -5.707 1.011 0.358 1.00 20.76 H new ATOM 0 HD21 ASN A 222 -8.766 1.623 -1.257 1.00 22.25 H new ATOM 0 HD22 ASN A 222 -7.746 2.454 -0.557 1.00 22.25 H new ATOM 1491 N ARG A 223 -6.517 -2.752 1.226 1.00 20.35 N ATOM 1492 CA ARG A 223 -6.422 -3.974 0.389 1.00 22.64 C ATOM 1493 C ARG A 223 -6.496 -3.790 -1.161 1.00 23.15 C ATOM 1494 O ARG A 223 -5.877 -4.559 -1.913 1.00 23.83 O ATOM 1495 CB ARG A 223 -7.386 -5.086 0.896 1.00 24.53 C ATOM 1496 CG ARG A 223 -8.871 -4.968 0.491 1.00 24.65 C ATOM 1497 CD ARG A 223 -9.790 -5.975 1.217 1.00 24.60 C ATOM 0 H ARG A 223 -7.037 -2.832 1.906 1.00 20.35 H new ATOM 0 HA ARG A 223 -5.504 -4.259 0.518 1.00 22.64 H new ATOM 0 HB2 ARG A 223 -7.054 -5.940 0.578 1.00 24.53 H new ATOM 0 HB3 ARG A 223 -7.339 -5.107 1.865 1.00 24.53 H new ATOM 0 HG2 ARG A 223 -9.179 -4.067 0.678 1.00 24.65 H new ATOM 0 HG3 ARG A 223 -8.949 -5.102 -0.467 1.00 24.65 H new ATOM 1498 N LYS A 223A -7.201 -2.779 -1.651 1.00 20.26 N ATOM 1499 CA LYS A 223A -7.328 -2.562 -3.088 1.00 21.49 C ATOM 1500 C LYS A 223A -6.130 -1.833 -3.683 1.00 19.53 C ATOM 1501 O LYS A 223A -6.082 -1.611 -4.897 1.00 16.74 O ATOM 1502 CB LYS A 223A -8.599 -1.739 -3.440 1.00 21.80 C ATOM 0 H LYS A 223A -7.617 -2.203 -1.166 1.00 20.26 H new ATOM 0 HA LYS A 223A -7.386 -3.452 -3.469 1.00 21.49 H new ATOM 1503 N LYS A 224 -5.187 -1.404 -2.830 1.00 19.55 N ATOM 1504 CA LYS A 224 -4.023 -0.658 -3.261 1.00 18.68 C ATOM 1505 C LYS A 224 -2.746 -1.249 -2.623 1.00 17.79 C ATOM 1506 O LYS A 224 -2.193 -0.704 -1.627 1.00 14.53 O ATOM 1507 CB LYS A 224 -4.192 0.841 -2.963 1.00 20.75 C ATOM 1508 CG LYS A 224 -5.410 1.476 -3.648 1.00 21.96 C ATOM 1509 CD LYS A 224 -5.274 1.515 -5.174 1.00 23.00 C ATOM 1510 CE LYS A 224 -6.633 1.872 -5.814 1.00 25.85 C ATOM 1511 NZ LYS A 224 -6.546 2.172 -7.264 1.00 25.35 N ATOM 0 H LYS A 224 -5.216 -1.545 -1.982 1.00 19.55 H new ATOM 0 HA LYS A 224 -3.930 -0.740 -4.223 1.00 18.68 H new ATOM 0 HB2 LYS A 224 -4.270 0.965 -2.004 1.00 20.75 H new ATOM 0 HB3 LYS A 224 -3.392 1.310 -3.245 1.00 20.75 H new ATOM 0 HG2 LYS A 224 -6.207 0.977 -3.410 1.00 21.96 H new ATOM 0 HG3 LYS A 224 -5.530 2.379 -3.314 1.00 21.96 H new ATOM 0 HD2 LYS A 224 -4.605 2.169 -5.430 1.00 23.00 H new ATOM 0 HD3 LYS A 224 -4.969 0.654 -5.502 1.00 23.00 H new ATOM 0 HE2 LYS A 224 -7.249 1.134 -5.680 1.00 25.85 H new ATOM 0 HE3 LYS A 224 -7.007 2.640 -5.354 1.00 25.85 H new ATOM 0 HZ1 LYS A 224 -7.363 2.170 -7.617 1.00 25.35 H new ATOM 0 HZ2 LYS A 224 -6.175 2.973 -7.380 1.00 25.35 H new ATOM 0 HZ3 LYS A 224 -6.048 1.554 -7.666 1.00 25.35 H new ATOM 1512 N PRO A 225 -2.282 -2.406 -3.185 1.00 15.18 N ATOM 1513 CA PRO A 225 -1.170 -3.154 -2.592 1.00 15.07 C ATOM 1514 C PRO A 225 0.119 -2.352 -2.443 1.00 13.77 C ATOM 1515 O PRO A 225 0.322 -1.303 -3.108 1.00 14.91 O ATOM 1516 CB PRO A 225 -1.010 -4.359 -3.534 1.00 14.33 C ATOM 1517 CG PRO A 225 -2.386 -4.514 -4.066 1.00 15.09 C ATOM 1518 CD PRO A 225 -2.790 -3.114 -4.360 1.00 15.89 C ATOM 0 HA PRO A 225 -1.360 -3.406 -1.675 1.00 15.07 H new ATOM 0 HB2 PRO A 225 -0.365 -4.187 -4.238 1.00 14.33 H new ATOM 0 HB3 PRO A 225 -0.711 -5.152 -3.062 1.00 14.33 H new ATOM 0 HG2 PRO A 225 -2.403 -5.068 -4.862 1.00 15.09 H new ATOM 0 HG3 PRO A 225 -2.977 -4.930 -3.419 1.00 15.09 H new ATOM 0 HD2 PRO A 225 -2.394 -2.786 -5.182 1.00 15.89 H new ATOM 0 HD3 PRO A 225 -3.751 -3.024 -4.452 1.00 15.89 H new ATOM 1519 N GLY A 226 0.950 -2.802 -1.510 1.00 13.58 N ATOM 1520 CA GLY A 226 2.283 -2.196 -1.331 1.00 13.04 C ATOM 1521 C GLY A 226 3.175 -2.541 -2.524 1.00 11.73 C ATOM 1522 O GLY A 226 3.017 -3.614 -3.126 1.00 11.72 O ATOM 0 H GLY A 226 0.772 -3.449 -0.972 1.00 13.58 H new ATOM 0 HA2 GLY A 226 2.201 -1.233 -1.246 1.00 13.04 H new ATOM 0 HA3 GLY A 226 2.687 -2.520 -0.511 1.00 13.04 H new ATOM 1523 N ILE A 227 4.030 -1.587 -2.908 1.00 11.33 N ATOM 1524 CA ILE A 227 4.925 -1.678 -4.034 1.00 11.55 C ATOM 1525 C ILE A 227 6.341 -1.652 -3.493 1.00 11.32 C ATOM 1526 O ILE A 227 6.651 -0.870 -2.589 1.00 10.71 O ATOM 1527 CB ILE A 227 4.695 -0.562 -5.056 1.00 12.30 C ATOM 1528 CG1 ILE A 227 3.215 -0.526 -5.468 1.00 13.99 C ATOM 1529 CG2 ILE A 227 5.535 -0.778 -6.311 1.00 12.14 C ATOM 1530 CD1 ILE A 227 2.846 0.702 -6.314 1.00 15.00 C ATOM 0 H ILE A 227 4.097 -0.838 -2.490 1.00 11.33 H new ATOM 0 HA ILE A 227 4.759 -2.504 -4.514 1.00 11.55 H new ATOM 0 HB ILE A 227 4.954 0.274 -4.638 1.00 12.30 H new ATOM 0 HG12 ILE A 227 3.006 -1.330 -5.969 1.00 13.99 H new ATOM 0 HG13 ILE A 227 2.664 -0.538 -4.670 1.00 13.99 H new ATOM 0 HG21 ILE A 227 5.369 -0.058 -6.939 1.00 12.14 H new ATOM 0 HG22 ILE A 227 6.475 -0.789 -6.073 1.00 12.14 H new ATOM 0 HG23 ILE A 227 5.295 -1.624 -6.720 1.00 12.14 H new ATOM 0 HD11 ILE A 227 1.904 0.667 -6.541 1.00 15.00 H new ATOM 0 HD12 ILE A 227 3.027 1.510 -5.808 1.00 15.00 H new ATOM 0 HD13 ILE A 227 3.374 0.705 -7.127 1.00 15.00 H new ATOM 1531 N TYR A 228 7.162 -2.554 -4.028 1.00 10.50 N ATOM 1532 CA TYR A 228 8.533 -2.754 -3.603 1.00 10.86 C ATOM 1533 C TYR A 228 9.386 -2.959 -4.856 1.00 10.47 C ATOM 1534 O TYR A 228 9.043 -3.739 -5.704 1.00 10.88 O ATOM 1535 CB TYR A 228 8.647 -3.958 -2.627 1.00 10.25 C ATOM 1536 CG TYR A 228 7.623 -3.905 -1.458 1.00 10.97 C ATOM 1537 CD1 TYR A 228 6.271 -4.308 -1.641 1.00 10.69 C ATOM 1538 CD2 TYR A 228 7.995 -3.451 -0.176 1.00 10.33 C ATOM 1539 CE1 TYR A 228 5.365 -4.237 -0.601 1.00 10.37 C ATOM 1540 CE2 TYR A 228 7.049 -3.347 0.860 1.00 10.68 C ATOM 1541 CZ TYR A 228 5.748 -3.743 0.635 1.00 10.06 C ATOM 1542 OH TYR A 228 4.786 -3.656 1.615 1.00 10.82 O ATOM 0 H TYR A 228 6.924 -3.079 -4.666 1.00 10.50 H new ATOM 0 HA TYR A 228 8.850 -1.978 -3.115 1.00 10.86 H new ATOM 0 HB2 TYR A 228 8.519 -4.781 -3.123 1.00 10.25 H new ATOM 0 HB3 TYR A 228 9.545 -3.985 -2.261 1.00 10.25 H new ATOM 0 HD1 TYR A 228 5.994 -4.623 -2.471 1.00 10.69 H new ATOM 0 HD2 TYR A 228 8.880 -3.217 -0.013 1.00 10.33 H new ATOM 0 HE1 TYR A 228 4.490 -4.523 -0.732 1.00 10.37 H new ATOM 0 HE2 TYR A 228 7.300 -3.013 1.691 1.00 10.68 H new ATOM 0 HH TYR A 228 5.145 -3.747 2.369 1.00 10.82 H new ATOM 1543 N THR A 229 10.537 -2.293 -4.920 1.00 10.22 N ATOM 1544 CA THR A 229 11.483 -2.515 -5.993 1.00 9.99 C ATOM 1545 C THR A 229 12.233 -3.846 -5.892 1.00 10.01 C ATOM 1546 O THR A 229 12.793 -4.162 -4.841 1.00 10.89 O ATOM 1547 CB THR A 229 12.476 -1.373 -6.090 1.00 9.92 C ATOM 1548 OG1 THR A 229 11.767 -0.120 -6.181 1.00 10.19 O ATOM 1549 CG2 THR A 229 13.387 -1.534 -7.338 1.00 9.84 C ATOM 0 H THR A 229 10.785 -1.705 -4.344 1.00 10.22 H new ATOM 0 HA THR A 229 10.949 -2.555 -6.802 1.00 9.99 H new ATOM 0 HB THR A 229 13.031 -1.385 -5.295 1.00 9.92 H new ATOM 0 HG1 THR A 229 11.778 0.263 -5.434 1.00 10.19 H new ATOM 0 HG21 THR A 229 14.013 -0.794 -7.380 1.00 9.84 H new ATOM 0 HG22 THR A 229 13.877 -2.369 -7.275 1.00 9.84 H new ATOM 0 HG23 THR A 229 12.840 -1.540 -8.139 1.00 9.84 H new ATOM 1550 N ARG A 230 12.319 -4.578 -7.011 1.00 9.36 N ATOM 1551 CA ARG A 230 12.961 -5.902 -7.003 1.00 10.09 C ATOM 1552 C ARG A 230 14.455 -5.770 -7.159 1.00 10.47 C ATOM 1553 O ARG A 230 14.952 -5.365 -8.198 1.00 10.42 O ATOM 1554 CB ARG A 230 12.387 -6.834 -8.090 1.00 10.19 C ATOM 1555 CG ARG A 230 10.945 -7.253 -7.821 1.00 11.31 C ATOM 1556 CD ARG A 230 10.372 -8.146 -8.954 1.00 12.80 C ATOM 1557 NE ARG A 230 11.202 -9.326 -9.038 1.00 13.17 N ATOM 1558 CZ ARG A 230 12.067 -9.631 -10.022 1.00 14.64 C ATOM 1559 NH1 ARG A 230 12.216 -8.888 -11.118 1.00 14.41 N ATOM 1560 NH2 ARG A 230 12.796 -10.720 -9.891 1.00 14.65 N ATOM 0 H ARG A 230 12.016 -4.330 -7.777 1.00 9.36 H new ATOM 0 HA ARG A 230 12.768 -6.307 -6.143 1.00 10.09 H new ATOM 0 HB2 ARG A 230 12.433 -6.386 -8.949 1.00 10.19 H new ATOM 0 HB3 ARG A 230 12.942 -7.627 -8.154 1.00 10.19 H new ATOM 0 HG2 ARG A 230 10.901 -7.733 -6.979 1.00 11.31 H new ATOM 0 HG3 ARG A 230 10.393 -6.461 -7.725 1.00 11.31 H new ATOM 0 HD2 ARG A 230 9.452 -8.389 -8.765 1.00 12.80 H new ATOM 0 HD3 ARG A 230 10.372 -7.668 -9.798 1.00 12.80 H new ATOM 0 HE ARG A 230 11.136 -9.891 -8.393 1.00 13.17 H new ATOM 0 HH11 ARG A 230 11.746 -8.175 -11.221 1.00 14.41 H new ATOM 0 HH12 ARG A 230 12.782 -9.121 -11.722 1.00 14.41 H new ATOM 0 HH21 ARG A 230 12.711 -11.213 -9.191 1.00 14.65 H new ATOM 0 HH22 ARG A 230 13.357 -10.938 -10.505 1.00 14.65 H new ATOM 1561 N VAL A 231 15.191 -6.065 -6.104 1.00 10.41 N ATOM 1562 CA VAL A 231 16.630 -5.855 -6.148 1.00 9.86 C ATOM 1563 C VAL A 231 17.324 -6.696 -7.265 1.00 10.49 C ATOM 1564 O VAL A 231 18.285 -6.222 -7.883 1.00 9.23 O ATOM 1565 CB VAL A 231 17.294 -6.041 -4.766 1.00 10.44 C ATOM 1566 CG1 VAL A 231 16.703 -5.072 -3.740 1.00 11.00 C ATOM 1567 CG2 VAL A 231 17.199 -7.446 -4.288 1.00 10.34 C ATOM 0 H VAL A 231 14.888 -6.382 -5.364 1.00 10.41 H new ATOM 0 HA VAL A 231 16.763 -4.925 -6.390 1.00 9.86 H new ATOM 0 HB VAL A 231 18.236 -5.836 -4.870 1.00 10.44 H new ATOM 0 HG11 VAL A 231 17.134 -5.207 -2.882 1.00 11.00 H new ATOM 0 HG12 VAL A 231 16.849 -4.160 -4.035 1.00 11.00 H new ATOM 0 HG13 VAL A 231 15.751 -5.235 -3.652 1.00 11.00 H new ATOM 0 HG21 VAL A 231 17.626 -7.522 -3.420 1.00 10.34 H new ATOM 0 HG22 VAL A 231 16.266 -7.700 -4.212 1.00 10.34 H new ATOM 0 HG23 VAL A 231 17.643 -8.033 -4.919 1.00 10.34 H new ATOM 1568 N ALA A 232 16.819 -7.887 -7.572 1.00 10.07 N ATOM 1569 CA ALA A 232 17.436 -8.716 -8.588 1.00 11.06 C ATOM 1570 C ALA A 232 17.416 -8.094 -9.950 1.00 12.03 C ATOM 1571 O ALA A 232 18.278 -8.363 -10.779 1.00 11.98 O ATOM 1572 CB ALA A 232 16.788 -10.081 -8.665 1.00 11.26 C ATOM 0 H ALA A 232 16.122 -8.229 -7.202 1.00 10.07 H new ATOM 0 HA ALA A 232 18.361 -8.807 -8.311 1.00 11.06 H new ATOM 0 HB1 ALA A 232 17.224 -10.608 -9.353 1.00 11.26 H new ATOM 0 HB2 ALA A 232 16.876 -10.530 -7.810 1.00 11.26 H new ATOM 0 HB3 ALA A 232 15.848 -9.981 -8.882 1.00 11.26 H new ATOM 1573 N SER A 233 16.404 -7.298 -10.181 1.00 12.68 N ATOM 1574 CA SER A 233 16.208 -6.584 -11.457 1.00 12.74 C ATOM 1575 C SER A 233 17.307 -5.521 -11.648 1.00 12.97 C ATOM 1576 O SER A 233 17.590 -5.147 -12.766 1.00 12.25 O ATOM 1577 CB SER A 233 14.781 -5.997 -11.454 1.00 13.07 C ATOM 1578 OG SER A 233 14.362 -5.537 -12.750 1.00 15.46 O ATOM 0 H SER A 233 15.789 -7.141 -9.601 1.00 12.68 H new ATOM 0 HA SER A 233 16.288 -7.183 -12.216 1.00 12.74 H new ATOM 0 HB2 SER A 233 14.159 -6.672 -11.139 1.00 13.07 H new ATOM 0 HB3 SER A 233 14.741 -5.259 -10.826 1.00 13.07 H new ATOM 0 HG SER A 233 14.122 -6.193 -13.216 1.00 15.46 H new ATOM 1579 N TYR A 234 17.903 -5.050 -10.524 1.00 13.83 N ATOM 1580 CA TYR A 234 18.933 -4.004 -10.480 1.00 13.95 C ATOM 1581 C TYR A 234 20.298 -4.538 -10.043 1.00 13.62 C ATOM 1582 O TYR A 234 21.165 -3.787 -9.558 1.00 13.07 O ATOM 1583 CB TYR A 234 18.453 -2.845 -9.569 1.00 14.02 C ATOM 1584 CG TYR A 234 17.280 -2.158 -10.160 1.00 13.46 C ATOM 1585 CD1 TYR A 234 17.468 -1.183 -11.112 1.00 13.99 C ATOM 1586 CD2 TYR A 234 15.958 -2.573 -9.889 1.00 14.59 C ATOM 1587 CE1 TYR A 234 16.404 -0.565 -11.730 1.00 14.71 C ATOM 1588 CE2 TYR A 234 14.874 -1.966 -10.517 1.00 14.26 C ATOM 1589 CZ TYR A 234 15.108 -0.933 -11.422 1.00 14.10 C ATOM 1590 OH TYR A 234 14.092 -0.316 -12.126 1.00 13.94 O ATOM 0 H TYR A 234 17.703 -5.350 -9.743 1.00 13.83 H new ATOM 0 HA TYR A 234 19.060 -3.669 -11.381 1.00 13.95 H new ATOM 0 HB2 TYR A 234 18.222 -3.192 -8.693 1.00 14.02 H new ATOM 0 HB3 TYR A 234 19.174 -2.209 -9.441 1.00 14.02 H new ATOM 0 HD1 TYR A 234 18.334 -0.935 -11.344 1.00 13.99 H new ATOM 0 HD2 TYR A 234 15.809 -3.262 -9.282 1.00 14.59 H new ATOM 0 HE1 TYR A 234 16.558 0.103 -12.358 1.00 14.71 H new ATOM 0 HE2 TYR A 234 14.006 -2.246 -10.335 1.00 14.26 H new ATOM 0 HH TYR A 234 14.422 0.209 -12.692 1.00 13.94 H new ATOM 1591 N ALA A 235 20.524 -5.827 -10.227 1.00 14.00 N ATOM 1592 CA ALA A 235 21.821 -6.460 -9.815 1.00 14.16 C ATOM 1593 C ALA A 235 23.040 -5.793 -10.483 1.00 13.99 C ATOM 1594 O ALA A 235 24.037 -5.529 -9.825 1.00 13.56 O ATOM 1595 CB ALA A 235 21.801 -7.963 -10.121 1.00 14.65 C ATOM 0 H ALA A 235 19.960 -6.369 -10.584 1.00 14.00 H new ATOM 0 HA ALA A 235 21.912 -6.328 -8.858 1.00 14.16 H new ATOM 0 HB1 ALA A 235 22.644 -8.360 -9.850 1.00 14.65 H new ATOM 0 HB2 ALA A 235 21.075 -8.383 -9.634 1.00 14.65 H new ATOM 0 HB3 ALA A 235 21.671 -8.098 -11.073 1.00 14.65 H new ATOM 1596 N ALA A 236 22.935 -5.455 -11.762 1.00 13.58 N ATOM 1597 CA ALA A 236 24.085 -4.810 -12.475 1.00 13.49 C ATOM 1598 C ALA A 236 24.411 -3.472 -11.889 1.00 12.43 C ATOM 1599 O ALA A 236 25.581 -3.141 -11.690 1.00 11.97 O ATOM 1600 CB ALA A 236 23.808 -4.636 -13.949 1.00 13.75 C ATOM 0 H ALA A 236 22.233 -5.578 -12.243 1.00 13.58 H new ATOM 0 HA ALA A 236 24.841 -5.407 -12.363 1.00 13.49 H new ATOM 0 HB1 ALA A 236 24.572 -4.217 -14.375 1.00 13.75 H new ATOM 0 HB2 ALA A 236 23.649 -5.503 -14.353 1.00 13.75 H new ATOM 0 HB3 ALA A 236 23.025 -4.076 -14.067 1.00 13.75 H new ATOM 1601 N TRP A 237 23.369 -2.702 -11.616 1.00 11.77 N ATOM 1602 CA TRP A 237 23.544 -1.411 -10.975 1.00 11.97 C ATOM 1603 C TRP A 237 24.170 -1.532 -9.579 1.00 12.66 C ATOM 1604 O TRP A 237 25.154 -0.843 -9.257 1.00 12.60 O ATOM 1605 CB TRP A 237 22.201 -0.664 -10.929 1.00 11.68 C ATOM 1606 CG TRP A 237 22.376 0.682 -10.393 1.00 11.63 C ATOM 1607 CD1 TRP A 237 22.955 1.754 -11.020 1.00 12.61 C ATOM 1608 CD2 TRP A 237 22.002 1.130 -9.101 1.00 11.09 C ATOM 1609 NE1 TRP A 237 22.955 2.840 -10.192 1.00 13.03 N ATOM 1610 CE2 TRP A 237 22.343 2.496 -9.015 1.00 11.95 C ATOM 1611 CE3 TRP A 237 21.368 0.521 -8.016 1.00 10.95 C ATOM 1612 CZ2 TRP A 237 22.112 3.264 -7.852 1.00 10.82 C ATOM 1613 CZ3 TRP A 237 21.151 1.279 -6.861 1.00 10.70 C ATOM 1614 CH2 TRP A 237 21.521 2.630 -6.803 1.00 11.05 C ATOM 0 H TRP A 237 22.553 -2.909 -11.794 1.00 11.77 H new ATOM 0 HA TRP A 237 24.170 -0.896 -11.507 1.00 11.97 H new ATOM 0 HB2 TRP A 237 21.822 -0.615 -11.821 1.00 11.68 H new ATOM 0 HB3 TRP A 237 21.571 -1.156 -10.380 1.00 11.68 H new ATOM 0 HD1 TRP A 237 23.298 1.744 -11.884 1.00 12.61 H new ATOM 0 HE1 TRP A 237 23.285 3.612 -10.378 1.00 13.03 H new ATOM 0 HE3 TRP A 237 21.097 -0.367 -8.060 1.00 10.95 H new ATOM 0 HZ2 TRP A 237 22.353 4.161 -7.805 1.00 10.82 H new ATOM 0 HZ3 TRP A 237 20.755 0.881 -6.120 1.00 10.70 H new ATOM 0 HH2 TRP A 237 21.357 3.108 -6.022 1.00 11.05 H new ATOM 1615 N ILE A 238 23.622 -2.407 -8.729 1.00 12.91 N ATOM 1616 CA ILE A 238 24.117 -2.508 -7.332 1.00 13.63 C ATOM 1617 C ILE A 238 25.604 -2.946 -7.321 1.00 14.22 C ATOM 1618 O ILE A 238 26.456 -2.259 -6.710 1.00 13.78 O ATOM 1619 CB ILE A 238 23.206 -3.422 -6.478 1.00 13.54 C ATOM 1620 CG1 ILE A 238 21.777 -2.778 -6.394 1.00 12.94 C ATOM 1621 CG2 ILE A 238 23.878 -3.776 -5.164 1.00 13.30 C ATOM 1622 CD1 ILE A 238 20.711 -3.720 -5.880 1.00 12.24 C ATOM 0 H ILE A 238 22.978 -2.942 -8.926 1.00 12.91 H new ATOM 0 HA ILE A 238 24.076 -1.632 -6.917 1.00 13.63 H new ATOM 0 HB ILE A 238 23.069 -4.288 -6.893 1.00 13.54 H new ATOM 0 HG12 ILE A 238 21.816 -2.000 -5.815 1.00 12.94 H new ATOM 0 HG13 ILE A 238 21.521 -2.464 -7.275 1.00 12.94 H new ATOM 0 HG21 ILE A 238 23.292 -4.348 -4.644 1.00 13.30 H new ATOM 0 HG22 ILE A 238 24.710 -4.242 -5.341 1.00 13.30 H new ATOM 0 HG23 ILE A 238 24.062 -2.965 -4.665 1.00 13.30 H new ATOM 0 HD11 ILE A 238 19.858 -3.260 -5.854 1.00 12.24 H new ATOM 0 HD12 ILE A 238 20.646 -4.488 -6.469 1.00 12.24 H new ATOM 0 HD13 ILE A 238 20.945 -4.017 -4.987 1.00 12.24 H new ATOM 1623 N ASP A 239 25.921 -4.024 -8.075 1.00 13.16 N ATOM 1624 CA ASP A 239 27.325 -4.523 -8.213 1.00 13.63 C ATOM 1625 C ASP A 239 28.338 -3.451 -8.615 1.00 11.86 C ATOM 1626 O ASP A 239 29.424 -3.329 -8.061 0.50 9.97 O ATOM 1627 CB ASP A 239 27.394 -5.599 -9.275 1.00 14.48 C ATOM 1628 CG ASP A 239 26.803 -6.934 -8.833 1.00 15.75 C ATOM 1629 OD1 ASP A 239 26.658 -7.159 -7.625 1.00 16.65 O ATOM 1630 OD2 ASP A 239 26.544 -7.764 -9.734 1.00 19.07 O ATOM 0 H ASP A 239 25.342 -4.482 -8.515 1.00 13.16 H new ATOM 0 HA ASP A 239 27.558 -4.851 -7.330 1.00 13.63 H new ATOM 0 HB2 ASP A 239 26.924 -5.292 -10.066 1.00 14.48 H new ATOM 0 HB3 ASP A 239 28.320 -5.733 -9.529 1.00 14.48 H new ATOM 1631 N ASER A 240 27.948 -2.666 -9.611 0.50 11.07 N ATOM 1632 N BSER A 240 27.926 -2.651 -9.588 0.50 12.66 N ATOM 1633 CA ASER A 240 28.814 -1.586 -10.070 0.50 10.50 C ATOM 1634 CA BSER A 240 28.770 -1.583 -10.114 0.50 13.03 C ATOM 1635 C ASER A 240 29.065 -0.569 -8.981 0.50 10.60 C ATOM 1636 C BSER A 240 29.039 -0.448 -9.128 0.50 12.11 C ATOM 1637 O ASER A 240 30.211 -0.280 -8.645 0.50 10.43 O ATOM 1638 O BSER A 240 30.157 0.099 -9.081 0.50 11.91 O ATOM 1639 CB ASER A 240 28.222 -0.874 -11.264 0.50 9.81 C ATOM 1640 CB BSER A 240 28.110 -0.992 -11.336 0.50 13.92 C ATOM 1641 OG ASER A 240 28.982 0.300 -11.547 0.50 8.62 O ATOM 1642 OG BSER A 240 27.155 -0.014 -10.951 0.50 16.82 O ATOM 0 H ASER A 240 27.200 -2.738 -10.029 0.50 12.66 H new ATOM 0 H BSER A 240 27.154 -2.709 -9.962 0.50 12.66 H new ATOM 0 HA ASER A 240 29.654 -2.000 -10.321 0.50 13.03 H new ATOM 0 HA BSER A 240 29.626 -1.994 -10.314 0.50 13.03 H new ATOM 0 HB2ASER A 240 28.220 -1.463 -12.035 0.50 13.92 H new ATOM 0 HB2BSER A 240 28.780 -0.591 -11.912 0.50 13.92 H new ATOM 0 HB3ASER A 240 27.298 -0.637 -11.086 0.50 13.92 H new ATOM 0 HB3BSER A 240 27.677 -1.692 -11.849 0.50 13.92 H new ATOM 0 HG ASER A 240 29.715 0.082 -11.895 0.50 16.82 H new ATOM 0 HG BSER A 240 26.544 -0.379 -10.505 0.50 16.82 H new ATOM 1643 N VAL A 241 27.995 -0.011 -8.422 1.00 11.03 N ATOM 1644 CA VAL A 241 28.143 1.032 -7.398 1.00 11.66 C ATOM 1645 C VAL A 241 28.921 0.492 -6.196 1.00 13.57 C ATOM 1646 O VAL A 241 29.809 1.154 -5.701 1.00 14.81 O ATOM 1647 CB VAL A 241 26.767 1.570 -6.973 1.00 11.34 C ATOM 1648 CG1 VAL A 241 26.904 2.564 -5.868 1.00 10.94 C ATOM 1649 CG2 VAL A 241 26.055 2.230 -8.165 1.00 11.18 C ATOM 0 H AVAL A 241 27.182 -0.216 -8.615 0.50 11.03 H new ATOM 0 H BVAL A 241 27.192 -0.304 -8.519 0.50 11.03 H new ATOM 0 HA VAL A 241 28.647 1.770 -7.776 1.00 11.66 H new ATOM 0 HB VAL A 241 26.239 0.819 -6.659 1.00 11.34 H new ATOM 0 HG11 VAL A 241 26.026 2.890 -5.615 1.00 10.94 H new ATOM 0 HG12 VAL A 241 27.324 2.141 -5.103 1.00 10.94 H new ATOM 0 HG13 VAL A 241 27.451 3.307 -6.167 1.00 10.94 H new ATOM 0 HG21 VAL A 241 25.190 2.564 -7.881 1.00 11.18 H new ATOM 0 HG22 VAL A 241 26.592 2.967 -8.496 1.00 11.18 H new ATOM 0 HG23 VAL A 241 25.933 1.577 -8.871 1.00 11.18 H new ATOM 1650 N LEU A 242 28.561 -0.701 -5.719 1.00 15.26 N ATOM 1651 CA LEU A 242 29.306 -1.324 -4.610 1.00 17.60 C ATOM 1652 C LEU A 242 30.786 -1.489 -4.888 1.00 19.52 C ATOM 1653 O LEU A 242 31.578 -1.391 -3.931 1.00 20.03 O ATOM 1654 CB LEU A 242 28.723 -2.673 -4.247 1.00 19.48 C ATOM 1655 CG LEU A 242 27.758 -2.748 -3.064 1.00 20.84 C ATOM 1656 CD1 LEU A 242 26.813 -1.592 -2.982 1.00 20.63 C ATOM 1657 CD2 LEU A 242 26.987 -4.054 -3.103 1.00 20.37 C ATOM 0 H LEU A 242 27.899 -1.164 -6.015 1.00 15.26 H new ATOM 0 HA LEU A 242 29.214 -0.707 -3.867 1.00 17.60 H new ATOM 0 HB2 LEU A 242 28.261 -3.016 -5.028 1.00 19.48 H new ATOM 0 HB3 LEU A 242 29.461 -3.276 -4.066 1.00 19.48 H new ATOM 0 HG LEU A 242 28.305 -2.706 -2.264 1.00 20.84 H new ATOM 0 HD11 LEU A 242 26.232 -1.702 -2.213 1.00 20.63 H new ATOM 0 HD12 LEU A 242 27.317 -0.768 -2.891 1.00 20.63 H new ATOM 0 HD13 LEU A 242 26.276 -1.555 -3.789 1.00 20.63 H new ATOM 0 HD21 LEU A 242 26.378 -4.093 -2.349 1.00 20.37 H new ATOM 0 HD22 LEU A 242 26.482 -4.107 -3.930 1.00 20.37 H new ATOM 0 HD23 LEU A 242 27.608 -4.798 -3.055 1.00 20.37 H new ATOM 1658 N ALA A 243 31.154 -1.708 -6.161 1.00 18.60 N ATOM 1659 CA ALA A 243 32.549 -1.811 -6.596 1.00 22.00 C ATOM 1660 C ALA A 243 33.256 -0.477 -6.908 1.00 23.40 C ATOM 1661 O ALA A 243 34.471 -0.472 -7.113 1.00 24.27 O ATOM 1662 CB ALA A 243 32.648 -2.718 -7.846 1.00 22.12 C ATOM 0 H ALA A 243 30.588 -1.802 -6.802 1.00 18.60 H new ATOM 0 HA ALA A 243 33.011 -2.186 -5.830 1.00 22.00 H new ATOM 0 HB1 ALA A 243 33.574 -2.781 -8.128 1.00 22.12 H new ATOM 0 HB2 ALA A 243 32.315 -3.603 -7.631 1.00 22.12 H new ATOM 0 HB3 ALA A 243 32.117 -2.339 -8.564 1.00 22.12 H new ATOM 1663 N SER A 244 32.539 0.642 -6.917 1.00 22.43 N ATOM 1664 CA SER A 244 33.094 1.912 -7.400 1.00 24.83 C ATOM 1665 C SER A 244 33.996 2.601 -6.353 1.00 29.02 C ATOM 1666 O SER A 244 34.573 3.636 -6.652 1.00 30.72 O ATOM 1667 CB SER A 244 31.982 2.881 -7.741 1.00 21.96 C ATOM 1668 OG SER A 244 31.338 3.302 -6.554 1.00 20.40 O ATOM 0 H SER A 244 31.724 0.691 -6.647 1.00 22.43 H new ATOM 0 HA SER A 244 33.623 1.691 -8.182 1.00 24.83 H new ATOM 0 HB2 SER A 244 32.342 3.648 -8.214 1.00 21.96 H new ATOM 0 HB3 SER A 244 31.342 2.457 -8.334 1.00 21.96 H new ATOM 0 HG SER A 244 30.859 2.678 -6.259 1.00 20.40 H new ATOM 1669 N ALA A 245 34.045 2.060 -5.139 1.00 34.53 N ATOM 1670 CA ALA A 245 34.843 2.610 -4.040 1.00 41.13 C ATOM 1671 C ALA A 245 36.315 2.329 -4.241 1.00 42.28 C ATOM 1672 O ALA A 245 37.134 3.113 -3.785 1.00 47.46 O ATOM 1673 CB ALA A 245 34.377 2.035 -2.706 1.00 43.58 C ATOM 0 H ALA A 245 33.609 1.351 -4.925 1.00 34.53 H new ATOM 0 HA ALA A 245 34.716 3.572 -4.031 1.00 41.13 H new ATOM 0 HB1 ALA A 245 34.913 2.407 -1.988 1.00 43.58 H new ATOM 0 HB2 ALA A 245 33.445 2.262 -2.564 1.00 43.58 H new ATOM 0 HB3 ALA A 245 34.477 1.070 -2.717 1.00 43.58 H new TER 1674 ALA A 245 HETATM 1675 C4 8S5 A 301 10.812 10.371 0.595 1.00 13.99 C HETATM 1676 C14 8S5 A 301 2.173 7.526 2.198 1.00 14.08 C HETATM 1677 C5 8S5 A 301 9.396 10.108 0.413 1.00 13.55 C HETATM 1678 C6 8S5 A 301 8.142 8.516 1.965 1.00 13.92 C HETATM 1679 C11 8S5 A 301 4.879 7.624 1.529 1.00 14.04 C HETATM 1680 C7 8S5 A 301 6.196 7.335 1.127 1.00 14.96 C HETATM 1681 C8 8S5 A 301 6.298 5.960 0.873 1.00 14.74 C HETATM 1682 C9 8S5 A 301 4.751 4.004 1.056 1.00 14.51 C HETATM 1683 C10 8S5 A 301 4.172 6.409 1.550 1.00 14.01 C HETATM 1684 C12 8S5 A 301 4.198 8.813 1.845 1.00 15.90 C HETATM 1685 C13 8S5 A 301 2.846 8.746 2.159 1.00 14.62 C HETATM 1686 N1 8S5 A 301 9.083 9.431 1.679 1.00 13.53 N HETATM 1687 N2 8S5 A 301 7.258 8.239 0.980 1.00 15.09 N HETATM 1688 C3 8S5 A 301 10.935 10.858 1.973 1.00 13.29 C HETATM 1689 N3 8S5 A 301 5.062 5.383 1.172 1.00 14.15 N HETATM 1690 O1 8S5 A 301 8.205 11.202 3.665 1.00 10.77 O HETATM 1691 C1 8S5 A 301 9.246 10.594 3.861 1.00 14.23 C HETATM 1692 C2 8S5 A 301 9.950 9.947 2.705 1.00 12.92 C HETATM 1693 F1 8S5 A 301 11.647 9.306 0.288 1.00 15.32 F HETATM 1694 N4 8S5 A 301 5.645 3.292 0.371 1.00 14.76 N HETATM 1695 O2 8S5 A 301 3.722 3.545 1.493 1.00 12.55 O HETATM 1696 C15 8S5 A 301 2.809 6.342 1.872 1.00 14.39 C HETATM 1697 O3 8S5 A 301 8.032 8.014 3.108 1.00 12.76 O HETATM 1698 N5 8S5 A 301 9.819 10.437 5.084 1.00 14.72 N HETATM 1699 C16 8S5 A 301 9.412 11.022 6.323 1.00 15.66 C HETATM 1700 C17 8S5 A 301 9.020 12.349 6.442 1.00 17.56 C HETATM 1701 C18 8S5 A 301 8.673 12.862 7.693 1.00 18.51 C HETATM 1702 C19 8S5 A 301 8.724 12.066 8.828 1.00 18.31 C HETATM 1703 C20 8S5 A 301 9.133 10.742 8.700 1.00 18.24 C HETATM 1704 O4 8S5 A 301 9.242 9.938 9.869 1.00 17.33 O HETATM 1705 C21 8S5 A 301 8.218 9.200 10.192 1.00 18.38 C HETATM 1706 F2 8S5 A 301 8.505 8.647 11.369 1.00 18.52 F HETATM 1707 F3 8S5 A 301 7.936 8.278 9.289 1.00 20.46 F HETATM 1708 F4 8S5 A 301 7.121 9.902 10.312 1.00 19.86 F HETATM 1709 C22 8S5 A 301 9.486 10.225 7.461 1.00 16.05 C HETATM 1710 O HOH A 401 28.087 -7.331 -5.887 1.00 21.54 O HETATM 1711 O HOH A 402 35.640 3.042 13.522 1.00 38.44 O HETATM 1712 O HOH A 403 14.226 -7.645 -14.263 1.00 18.99 O HETATM 1713 O HOH A 404 23.422 8.789 -9.517 1.00 21.93 O HETATM 1714 O HOH A 405 1.819 -16.797 3.339 1.00 26.42 O HETATM 1715 O HOH A 406 17.069 -10.732 -15.806 1.00 30.11 O HETATM 1716 O HOH A 407 32.116 0.254 -10.676 1.00 28.49 O HETATM 1717 O HOH A 408 16.263 6.884 -17.941 1.00 24.88 O HETATM 1718 O HOH A 409 6.628 -14.721 -12.858 1.00 28.89 O HETATM 1719 O HOH A 410 12.059 8.913 19.039 1.00 29.16 O HETATM 1720 O HOH A 411 30.892 8.278 10.554 1.00 22.58 O HETATM 1721 O HOH A 412 10.424 3.018 22.188 1.00 21.59 O HETATM 1722 O HOH A 413 20.254 9.830 15.249 1.00 17.86 O HETATM 1723 O HOH A 414 18.718 -2.468 13.812 1.00 13.50 O HETATM 1724 O HOH A 415 16.339 1.110 23.699 1.00 15.37 O HETATM 1725 O HOH A 416 11.640 -0.435 22.742 1.00 17.59 O HETATM 1726 O HOH A 417 9.825 -0.127 -13.258 1.00 13.33 O HETATM 1727 O HOH A 418 13.765 -14.720 -1.349 1.00 15.52 O HETATM 1728 O HOH A 419 27.863 -0.921 16.270 1.00 14.21 O HETATM 1729 O HOH A 420 28.227 -0.625 13.481 1.00 14.48 O HETATM 1730 O HOH A 421 21.531 -2.410 12.018 1.00 14.32 O HETATM 1731 O HOH A 422 -1.176 -13.597 -5.251 1.00 20.07 O HETATM 1732 O HOH A 423 14.039 9.016 24.464 1.00 18.12 O HETATM 1733 O HOH A 424 9.789 -15.950 3.362 1.00 29.97 O HETATM 1734 O HOH A 425 19.759 -10.436 -11.498 1.00 14.99 O HETATM 1735 O HOH A 426 4.240 -9.115 -7.292 1.00 12.86 O HETATM 1736 O HOH A 427 30.211 -5.343 -6.528 1.00 20.74 O HETATM 1737 O HOH A 428 -3.053 0.700 0.658 1.00 15.57 O HETATM 1738 O HOH A 429 19.941 -0.011 -13.722 1.00 22.54 O HETATM 1739 O HOH A 430 22.647 -2.900 21.669 1.00 24.78 O HETATM 1740 O HOH A 431 12.077 1.277 -3.940 1.00 9.37 O HETATM 1741 O HOH A 432 13.653 -11.819 -7.262 1.00 23.84 O HETATM 1742 O HOH A 433 6.550 -0.079 20.170 1.00 17.43 O HETATM 1743 O HOH A 434 29.713 2.731 -10.709 1.00 13.08 O HETATM 1744 O HOH A 435 11.412 12.005 11.576 1.00 17.84 O HETATM 1745 O HOH A 436 31.058 13.750 1.266 1.00 19.20 O HETATM 1746 O HOH A 437 20.187 -15.788 -4.753 1.00 18.02 O HETATM 1747 O HOH A 438 13.872 7.367 26.736 1.00 17.98 O HETATM 1748 O HOH A 439 5.024 4.133 -3.874 1.00 27.96 O HETATM 1749 O HOH A 440 2.158 -4.138 1.353 1.00 12.18 O HETATM 1750 O HOH A 441 26.702 10.403 -6.500 1.00 32.07 O HETATM 1751 O HOH A 442 11.580 -0.073 -11.186 1.00 12.90 O HETATM 1752 O HOH A 443 11.453 1.142 -8.626 1.00 11.41 O HETATM 1753 O HOH A 444 27.035 12.993 5.997 1.00 20.10 O HETATM 1754 O HOH A 445 6.651 1.745 11.845 1.00 9.79 O HETATM 1755 O HOH A 446 11.825 7.342 -9.812 1.00 24.41 O HETATM 1756 O HOH A 447 2.691 -1.027 13.361 1.00 23.96 O HETATM 1757 O HOH A 448 17.707 8.731 15.806 1.00 12.87 O HETATM 1758 O HOH A 449 19.658 0.670 12.741 1.00 9.10 O HETATM 1759 O HOH A 450 11.659 0.734 6.539 1.00 11.54 O HETATM 1760 O HOH A 451 27.746 -4.039 -13.093 1.00 17.90 O HETATM 1761 O HOH A 452 4.115 -4.323 19.865 1.00 16.89 O HETATM 1762 O HOH A 453 21.188 13.167 9.837 1.00 23.59 O HETATM 1763 O HOH A 454 24.836 -8.695 1.004 1.00 14.74 O HETATM 1764 O HOH A 455 8.321 -11.651 -7.216 1.00 29.03 O HETATM 1765 O HOH A 456 19.034 12.851 16.524 1.00 32.90 O HETATM 1766 O HOH A 457 14.322 -6.482 14.632 1.00 11.12 O HETATM 1767 O HOH A 458 14.547 -9.276 -6.173 1.00 8.78 O HETATM 1768 O HOH A 459 6.426 -7.176 20.291 1.00 19.89 O HETATM 1769 O HOH A 460 10.845 -9.547 15.672 1.00 16.51 O HETATM 1770 O HOH A 461 18.648 -14.480 -12.845 1.00 23.31 O HETATM 1771 O HOH A 462 33.667 -5.019 11.797 1.00 19.61 O HETATM 1772 O HOH A 463 16.088 -3.291 16.361 1.00 11.65 O HETATM 1773 O HOH A 464 31.725 -2.040 1.433 1.00 15.32 O HETATM 1774 O HOH A 465 9.737 -15.248 -12.708 1.00 24.21 O HETATM 1775 O HOH A 466 -4.134 12.768 9.737 1.00 15.92 O HETATM 1776 O HOH A 467 9.547 7.205 13.762 1.00 10.00 O HETATM 1777 O HOH A 468 26.792 12.536 -2.301 1.00 20.34 O HETATM 1778 O HOH A 469 -1.251 -13.024 -2.180 1.00 18.06 O HETATM 1779 O HOH A 470 5.046 0.249 -0.508 1.00 15.07 O HETATM 1780 O HOH A 471 6.032 -18.252 2.967 1.00 20.66 O HETATM 1781 O HOH A 472 18.253 11.075 21.618 1.00 20.56 O HETATM 1782 O HOH A 473 6.465 10.553 -0.777 1.00 15.55 O HETATM 1783 O HOH A 474 -1.189 2.057 -2.324 1.00 23.39 O HETATM 1784 O HOH A 475 20.297 -3.932 15.513 1.00 13.14 O HETATM 1785 O HOH A 476 -3.929 -6.311 -0.730 1.00 14.99 O HETATM 1786 O HOH A 477 26.748 7.221 17.134 1.00 27.58 O HETATM 1787 O HOH A 478 20.094 8.313 19.052 1.00 19.49 O HETATM 1788 O HOH A 479 25.296 15.310 4.424 1.00 33.31 O HETATM 1789 O HOH A 480 20.844 -3.096 -12.960 1.00 8.78 O HETATM 1790 O HOH A 481 17.869 -2.108 22.602 1.00 18.25 O HETATM 1791 O HOH A 482 11.851 2.842 8.356 1.00 9.60 O HETATM 1792 O HOH A 483 10.477 -10.430 -6.449 1.00 23.34 O HETATM 1793 O HOH A 484 13.505 10.731 14.107 1.00 17.78 O HETATM 1794 O HOH A 485 28.445 -3.504 15.866 1.00 18.01 O HETATM 1795 O HOH A 486 1.102 -8.223 -14.942 1.00 21.37 O HETATM 1796 O HOH A 487 -8.560 -2.885 3.310 1.00 33.29 O HETATM 1797 O HOH A 488 -1.875 13.799 14.523 1.00 18.19 O HETATM 1798 O HOH A 489 14.107 -7.993 22.249 1.00 20.71 O HETATM 1799 O HOH A 490 12.760 -13.757 5.693 1.00 21.78 O HETATM 1800 O HOH A 491 16.806 -5.019 14.369 1.00 10.48 O HETATM 1801 O HOH A 492 -1.391 -7.260 4.331 1.00 27.67 O HETATM 1802 O HOH A 493 36.796 1.912 6.312 1.00 27.96 O HETATM 1803 O HOH A 494 -4.865 4.054 11.776 1.00 18.82 O HETATM 1804 O HOH A 495 7.910 -4.774 -17.410 1.00 25.87 O HETATM 1805 O HOH A 496 13.401 -0.311 -17.248 1.00 19.66 O HETATM 1806 O HOH A 497 23.614 4.925 22.075 1.00 16.44 O HETATM 1807 O HOH A 498 15.940 10.266 15.213 1.00 24.15 O HETATM 1808 O HOH A 499 8.154 11.314 -2.707 1.00 30.14 O HETATM 1809 O HOH A 500 -5.201 7.434 13.687 1.00 19.68 O HETATM 1810 O HOH A 501 26.920 -5.409 16.917 1.00 19.42 O HETATM 1811 O HOH A 502 17.495 9.137 25.661 1.00 21.76 O HETATM 1812 O HOH A 503 4.453 11.113 16.922 1.00 25.63 O HETATM 1813 O HOH A 504 16.390 -5.954 -15.590 1.00 16.41 O HETATM 1814 O HOH A 505 25.598 -0.673 -13.755 1.00 15.95 O HETATM 1815 O HOH A 506 29.085 4.672 -8.851 1.00 20.10 O HETATM 1816 O HOH A 507 31.612 -1.668 -12.476 1.00 21.79 O HETATM 1817 O HOH A 508 31.743 -4.798 -4.266 1.00 23.46 O HETATM 1818 O HOH A 509 -2.024 9.504 17.318 1.00 22.97 O HETATM 1819 O HOH A 510 27.112 -6.968 -13.098 1.00 20.86 O HETATM 1820 O HOH A 511 34.969 6.664 -3.489 1.00 34.71 O HETATM 1821 O HOH A 512 15.402 10.628 18.293 1.00 29.56 O HETATM 1822 O HOH A 513 23.632 1.854 26.622 1.00 30.76 O HETATM 1823 O HOH A 514 5.521 -11.954 -7.273 1.00 16.80 O HETATM 1824 O HOH A 515 10.847 -17.765 0.529 1.00 28.56 O HETATM 1825 O HOH A 516 13.774 -17.418 -7.457 1.00 26.31 O HETATM 1826 O HOH A 517 -1.628 3.933 -4.569 1.00 25.40 O HETATM 1827 O HOH A 518 16.805 7.290 27.382 1.00 21.78 O HETATM 1828 O HOH A 519 10.823 9.620 13.921 1.00 11.44 O HETATM 1829 O HOH A 520 21.807 8.503 17.391 1.00 24.23 O HETATM 1830 O HOH A 521 12.735 13.176 14.929 1.00 20.45 O HETATM 1831 O HOH A 522 34.730 -4.530 -0.843 1.00 32.62 O CONECT 182 296 CONECT 296 182 CONECT 892 1381 CONECT 1130 1249 CONECT 1249 1130 CONECT 1313 1478 CONECT 1381 892 CONECT 1478 1313 CONECT 1675 1677 1688 1693 CONECT 1676 1685 1696 CONECT 1677 1675 1686 CONECT 1678 1686 1687 1697 CONECT 1679 1680 1683 1684 CONECT 1680 1679 1681 1687 CONECT 1681 1680 1689 CONECT 1682 1689 1694 1695 CONECT 1683 1679 1689 1696 CONECT 1684 1679 1685 CONECT 1685 1676 1684 CONECT 1686 1677 1678 1692 CONECT 1687 1678 1680 CONECT 1688 1675 1692 CONECT 1689 1681 1682 1683 CONECT 1690 1691 CONECT 1691 1690 1692 1698 CONECT 1692 1686 1688 1691 CONECT 1693 1675 CONECT 1694 1682 CONECT 1695 1682 CONECT 1696 1676 1683 CONECT 1697 1678 CONECT 1698 1691 1699 CONECT 1699 1698 1700 1709 CONECT 1700 1699 1701 CONECT 1701 1700 1702 CONECT 1702 1701 1703 CONECT 1703 1702 1704 1709 CONECT 1704 1703 1705 CONECT 1705 1704 1706 1707 1708 CONECT 1706 1705 CONECT 1707 1705 CONECT 1708 1705 CONECT 1709 1699 1703 END