USER MOD reduce.3.24.130724 H: found=0, std=0, add=1977, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 17-JUN-05 2A14 TITLE CRYSTAL STRUCTURE OF HUMAN INDOLETHYLAMINE N- TITLE 2 METHYLTRANSFERASE WITH SAH COMPND MOL_ID: 1; COMPND 2 MOLECULE: INDOLETHYLAMINE N-METHYLTRANSFERASE; COMPND 3 CHAIN: A; COMPND 4 EC: 2.1.1.49; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28 KEYWDS SGC,INMT, STRUCTURAL GENOMICS, STRUCTURAL GENOMICS KEYWDS 2 CONSORTIUM, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR A.DONG,H.WU,H.ZENG,P.LOPPNAU,M.SUNDSTROM,C.H.ARROWSMITH, AUTHOR 2 A.M.EDWARDS,A.BOCHKAREV,A.N.PLOTNIKOV,STRUCTURAL GENOMICS AUTHOR 3 CONSORTIUM (SGC) REVDAT 2 24-FEB-09 2A14 1 VERSN REVDAT 1 28-JUN-05 2A14 0 JRNL AUTH H.WU,A.DONG,H.ZENG,P.LOPPNAU,M.SUNDSTROM, JRNL AUTH 2 C.H.ARROWSMITH,A.M.EDWARDS,A.BOCHKAREV, JRNL AUTH 3 A.N.PLOTNIKOV JRNL TITL THE CRYSTAL STRUCTURE OF HUMAN INDOLETHYLAMINE JRNL TITL 2 N-METHYLTRANSFERASE IN COMPLEX WITH SAH. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0005,O REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.20 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 87.1 REMARK 3 NUMBER OF REFLECTIONS : 31928 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) : 0.164 REMARK 3 R VALUE (WORKING SET) : 0.163 REMARK 3 FREE R VALUE : 0.197 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.000 REMARK 3 FREE R VALUE TEST SET COUNT : 661 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.74 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1077 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 40.76 REMARK 3 BIN R VALUE (WORKING SET) : 0.2390 REMARK 3 BIN FREE R VALUE SET COUNT : 26 REMARK 3 BIN FREE R VALUE : 0.4800 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1980 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 31 REMARK 3 SOLVENT ATOMS : 310 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 17.22 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.72000 REMARK 3 B22 (A**2) : -0.63000 REMARK 3 B33 (A**2) : -0.09000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.094 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.095 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.048 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.404 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.958 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.945 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2055 ; 0.010 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2790 ; 1.221 ; 1.998 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 256 ; 6.024 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 87 ;29.391 ;24.598 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 340 ;10.939 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 10 ;16.858 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 311 ; 0.077 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1547 ; 0.004 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1029 ; 0.191 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1417 ; 0.300 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 261 ; 0.112 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 32 ; 0.172 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 17 ; 0.119 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1311 ; 0.668 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2056 ; 1.109 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 841 ; 1.834 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 734 ; 2.976 ; 4.500 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 : MASK 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 REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2A14 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-JUN-05. REMARK 100 THE RCSB ID CODE IS RCSB033360. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-JUN-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.6 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 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : VERIMAX REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : CRYSTALCLEAR (MSC/RIGAKU) REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32589 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 36.200 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 87.2 REMARK 200 DATA REDUNDANCY : 6.500 REMARK 200 R MERGE (I) : 0.04900 REMARK 200 R SYM (I) : 0.04900 REMARK 200 FOR THE DATA SET : 22.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.73 REMARK 200 COMPLETENESS FOR SHELL (%) : 39.8 REMARK 200 DATA REDUNDANCY IN SHELL : 5.20 REMARK 200 R MERGE FOR SHELL (I) : 0.11900 REMARK 200 R SYM FOR SHELL (I) : 0.11900 REMARK 200 FOR SHELL : 12.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 1N7J REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 57.50 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2.0 M AMMONIUM SULFATE, 0.2 M K/NA REMARK 280 TARTRATE, PH 5.6, VAPOR DIFFUSION, TEMPERATURE 300K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 33.05800 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 33.05800 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 43.20350 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 58.73050 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 43.20350 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 58.73050 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 33.05800 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 43.20350 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 58.73050 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 33.05800 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 43.20350 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 58.73050 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE REMARK 300 AUTHOR STATES THAT BIOLOGICAL UNIT FOR THE REMARK 300 PROTEIN IS NOT YET KNOWN REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A4194 LIES ON A SPECIAL POSITION. 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 MET A 1 REMARK 465 LYS A 2 REMARK 465 GLY A 3 REMARK 465 GLY A 4 REMARK 465 GLY A 262 REMARK 465 PRO A 263 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 ALA A 247 108.31 -163.85 REMARK 500 ASN A 250 72.05 -105.26 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 SO4 A 2003 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAH A 4001 DBREF 2A14 A 1 263 UNP O95050 INMT_HUMAN 1 263 SEQRES 1 A 263 MET LYS GLY GLY PHE THR GLY GLY ASP GLU TYR GLN LYS SEQRES 2 A 263 HIS PHE LEU PRO ARG ASP TYR LEU ALA THR TYR TYR SER SEQRES 3 A 263 PHE ASP GLY SER PRO SER PRO GLU ALA GLU MET LEU LYS SEQRES 4 A 263 PHE ASN LEU GLU CYS LEU HIS LYS THR PHE GLY PRO GLY SEQRES 5 A 263 GLY LEU GLN GLY ASP THR LEU ILE ASP ILE GLY SER GLY SEQRES 6 A 263 PRO THR ILE TYR GLN VAL LEU ALA ALA CYS ASP SER PHE SEQRES 7 A 263 GLN ASP ILE THR LEU SER ASP PHE THR ASP ARG ASN ARG SEQRES 8 A 263 GLU GLU LEU GLU LYS TRP LEU LYS LYS GLU PRO GLY ALA SEQRES 9 A 263 TYR ASP TRP THR PRO ALA VAL LYS PHE ALA CYS GLU LEU SEQRES 10 A 263 GLU GLY ASN SER GLY ARG TRP GLU GLU LYS GLU GLU LYS SEQRES 11 A 263 LEU ARG ALA ALA VAL LYS ARG VAL LEU LYS CYS ASP VAL SEQRES 12 A 263 HIS LEU GLY ASN PRO LEU ALA PRO ALA VAL LEU PRO LEU SEQRES 13 A 263 ALA ASP CYS VAL LEU THR LEU LEU ALA MET GLU CYS ALA SEQRES 14 A 263 CYS CYS SER LEU ASP ALA TYR ARG ALA ALA LEU CYS ASN SEQRES 15 A 263 LEU ALA SER LEU LEU LYS PRO GLY GLY HIS LEU VAL THR SEQRES 16 A 263 THR VAL THR LEU ARG LEU PRO SER TYR MET VAL GLY LYS SEQRES 17 A 263 ARG GLU PHE SER CYS VAL ALA LEU GLU LYS GLY GLU VAL SEQRES 18 A 263 GLU GLN ALA VAL LEU ASP ALA GLY PHE ASP ILE GLU GLN SEQRES 19 A 263 LEU LEU HIS SER PRO GLN SER TYR SER VAL THR ASN ALA SEQRES 20 A 263 ALA ASN ASN GLY VAL CYS CYS ILE VAL ALA ARG LYS LYS SEQRES 21 A 263 PRO GLY PRO HET SO4 A2003 5 HET SAH A4001 26 HETNAM SO4 SULFATE ION HETNAM SAH S-ADENOSYL-L-HOMOCYSTEINE FORMUL 2 SO4 O4 S 2- FORMUL 3 SAH C14 H20 N6 O5 S FORMUL 4 HOH *310(H2 O) HELIX 1 1 GLY A 7 PHE A 15 1 9 HELIX 2 2 LEU A 16 TYR A 25 1 10 HELIX 3 3 SER A 32 GLY A 50 1 19 HELIX 4 4 ILE A 68 LEU A 72 5 5 HELIX 5 5 ALA A 73 ASP A 76 5 4 HELIX 6 6 THR A 87 LYS A 100 1 14 HELIX 7 7 TRP A 107 GLU A 118 1 12 HELIX 8 8 GLY A 119 GLY A 122 5 4 HELIX 9 9 ARG A 123 ALA A 134 1 12 HELIX 10 10 ALA A 165 CYS A 170 1 6 HELIX 11 11 SER A 172 SER A 185 1 14 HELIX 12 12 GLU A 217 ALA A 228 1 12 SHEET 1 A 7 VAL A 135 LYS A 140 0 SHEET 2 A 7 PHE A 78 ASP A 85 1 N ILE A 81 O LYS A 136 SHEET 3 A 7 GLY A 56 ASP A 61 1 N ASP A 61 O THR A 82 SHEET 4 A 7 ALA A 157 LEU A 163 1 O LEU A 161 N ILE A 60 SHEET 5 A 7 LEU A 187 THR A 198 1 O VAL A 194 N VAL A 160 SHEET 6 A 7 VAL A 252 LYS A 259 -1 O ILE A 255 N THR A 195 SHEET 7 A 7 PHE A 230 SER A 238 -1 N LEU A 236 O CYS A 254 SHEET 1 B 2 SER A 203 VAL A 206 0 SHEET 2 B 2 ARG A 209 SER A 212 -1 O ARG A 209 N VAL A 206 CISPEP 1 ALA A 150 PRO A 151 0 5.60 SITE *** AC1 7 ARG A 200 GLU A 217 LYS A 218 ASN A 250 SITE *** AC1 7 ARG A 258 HOH A4093 HOH A4234 SITE *** AC2 21 TYR A 20 TYR A 25 GLY A 63 SER A 64 SITE *** AC2 21 GLY A 65 THR A 67 TYR A 69 ASP A 85 SITE *** AC2 21 PHE A 86 THR A 87 ASN A 90 CYS A 141 SITE *** AC2 21 ASP A 142 VAL A 143 HIS A 144 LEU A 163 SITE *** AC2 21 LEU A 164 ALA A 165 ALA A 169 HOH A4050 SITE *** AC2 21 HOH A4064 CRYST1 86.407 117.461 66.116 90.00 90.00 90.00 C 2 2 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.011573 0.000000 0.000000 0.00000 SCALE2 0.000000 0.008513 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015125 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 NoAdj-H: A4001 SAH HXT : A4001 SAH OXT : A4001 SAH C :(short bond) USER MOD Set 1.1: A 87 THR OG1 : rot 98:sc= 0.522 USER MOD Set 1.2: A4001 SAH O2' : rot 36:sc= 1.93 USER MOD Set 2.1: A 11 TYR OH : rot 11:sc= 1.85 USER MOD Set 2.2: A 168 CYS SG : rot -106:sc= 2.31 USER MOD Set 2.3: A 204 TYR OH : rot -167:sc= 1.06 USER MOD Set 2.4: A 213 CYS SG : rot 5:sc= -1.33 USER MOD Set 3.1: A 90 ASN : amide:sc= -0.209 K(o=0.31,f=-3.5!) USER MOD Set 3.2: A4001 SAH O3' : rot 68:sc= 0.521 USER MOD Set 4.1: A 84 SER OG : rot -62:sc= 0.972 USER MOD Set 4.2: A 141 CYS SG : rot -142:sc= 0.0639 USER MOD Set 5.1: A 67 THR OG1 : rot 83:sc= 1.03 USER MOD Set 5.2: A 70 GLN : amide:sc= 2.37 K(o=3.4,f=-3.7!) USER MOD Set 6.1: A 41 ASN : amide:sc= 0.311 K(o=0.66,f=-4.4!) USER MOD Set 6.2: A 196 THR OG1 : rot -171:sc= 0.352 USER MOD Set 7.1: A 25 TYR OH : rot -158:sc= 2.05 USER MOD Set 7.2: A 69 TYR OH : rot -135:sc= 2.03 USER MOD Set 8.1: A 6 THR OG1 : rot 32:sc= 1.54 USER MOD Set 8.2: A 212 SER OG : rot -38:sc= 0.929 USER MOD Single : A 12 GLN : amide:sc= 2.06 K(o=2.1,f=-4.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.014) USER MOD Single : A 20 TYR OH : rot 179:sc= 1.87 USER MOD Single : A 23 THR OG1 : rot 85:sc= 0.864 USER MOD Single : A 24 TYR OH : rot 156:sc= 1 USER MOD Single : A 26 SER OG : rot -82:sc= 0.0126 USER MOD Single : A 30 SER OG : rot -74:sc= 0.75 USER MOD Single : A 32 SER OG : rot -121:sc= 0.534 USER MOD Single : A 37 MET CE :methyl 176:sc= -1.98 (180deg=-2.09) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0.889 (180deg=0.879) USER MOD Single : A 44 CYS SG : rot 145:sc= 0.489 USER MOD Single : A 46 HIS : no HE2:sc= 2.34 K(o=2.3,f=-5.8!) USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= 1.05 (180deg=0.787) USER MOD Single : A 48 THR OG1 : rot 78:sc= 1.33 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 58 THR OG1 : rot -115:sc= 1.77 USER MOD Single : A 64 SER OG : rot -65:sc= 1.45 USER MOD Single : A 75 CYS SG : rot -61:sc= 0.199 USER MOD Single : A 77 SER OG : rot -135:sc= 0.11 USER MOD Single : A 79 GLN : amide:sc= 0.831 K(o=0.83,f=-0.86) USER MOD Single : A 82 THR OG1 : rot 76:sc= 1.42 USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0.514 (180deg=0.513) USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.742) USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= 1.84 (180deg=1.54) USER MOD Single : A 105 TYR OH : rot 153:sc= 2.74 USER MOD Single : A 108 THR OG1 : rot 81:sc= 3.25 USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= 1.99 (180deg=1.81) USER MOD Single : A 115 CYS SG : rot 77:sc= -0.598 USER MOD Single : A 120 ASN : amide:sc= 0.0219 K(o=0.022,f=-3.2) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -150:sc= 2.93 (180deg=1.37) USER MOD Single : A 130 LYS NZ :NH3+ 174:sc= 1.39 (180deg=1.35) USER MOD Single : A 136 LYS NZ :NH3+ -177:sc= 0.91 (180deg=0.904) USER MOD Single : A 140 LYS NZ :NH3+ 167:sc= 1.96 (180deg=1.74) USER MOD Single : A 144 HIS : no HD1:sc= 1.41 K(o=1.4,f=-2.8!) USER MOD Single : A 147 ASN : amide:sc= 1.45 K(o=1.4,f=-2.6!) USER MOD Single : A 159 CYS SG : rot 170:sc= 0 USER MOD Single : A 162 THR OG1 : rot 69:sc= 1.95 USER MOD Single : A 166 MET CE :methyl -149:sc= -0.0465 (180deg=-0.922) USER MOD Single : A 170 CYS SG : rot 142:sc= -0.445 USER MOD Single : A 171 CYS SG : rot 51:sc= 0.839 USER MOD Single : A 172 SER OG : rot -141:sc= 1.72 USER MOD Single : A 176 TYR OH : rot -12:sc= 1.13 USER MOD Single : A 181 CYS SG : rot 67:sc= 1.14 USER MOD Single : A 182 ASN : amide:sc= 2.43 K(o=2.4,f=-0.49) USER MOD Single : A 185 SER OG : rot -73:sc= 2.13 USER MOD Single : A 188 LYS NZ :NH3+ -165:sc= 0.615 (180deg=0.419) USER MOD Single : A 192 HIS : no HD1:sc= 2.42 K(o=2.4,f=-5.8!) USER MOD Single : A 195 THR OG1 : rot 36:sc= 1.86 USER MOD Single : A 198 THR OG1 : rot -125:sc= 1.28 USER MOD Single : A 203 SER OG : rot -121:sc= 2.14 USER MOD Single : A 205 MET CE :methyl -167:sc= -0.0158 (180deg=-0.208) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.491) USER MOD Single : A 223 GLN : amide:sc= 1.03 X(o=1,f=1.1) USER MOD Single : A 234 GLN : amide:sc= 0.677 K(o=0.68,f=-0.19) USER MOD Single : A 237 HIS : no HD1:sc= 2.61 K(o=2.6,f=-7!) USER MOD Single : A 238 SER OG : rot 131:sc= 1.65 USER MOD Single : A 240 GLN : amide:sc= 2.11 K(o=2.1,f=-1.1) USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 242 TYR OH : rot 1:sc= 2.14 USER MOD Single : A 243 SER OG : rot -165:sc= 1.3 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 246 ASN : amide:sc= 0.472 K(o=0.47,f=-0.18) USER MOD Single : A 249 ASN : amide:sc= 0.753 K(o=0.75,f=-5.7!) USER MOD Single : A 250 ASN : amide:sc= 0.488 X(o=0.49,f=0.29) USER MOD Single : A 253 CYS SG : rot 180:sc= -0.0139 USER MOD Single : A 254 CYS SG : rot 140:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 260 LYS NZ :NH3+ -161:sc= 0.455 (180deg=0.317) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 5 27.950 56.869 15.545 1.00 18.49 N ATOM 2 CA PHE A 5 27.114 55.747 15.017 1.00 18.14 C ATOM 3 C PHE A 5 27.786 55.176 13.771 1.00 17.74 C ATOM 4 O PHE A 5 28.116 55.927 12.846 1.00 18.94 O ATOM 5 CB PHE A 5 25.698 56.242 14.682 1.00 17.84 C ATOM 6 CG PHE A 5 24.662 55.147 14.668 1.00 18.71 C ATOM 7 CD1 PHE A 5 23.877 54.894 15.795 1.00 17.60 C ATOM 8 CD2 PHE A 5 24.469 54.367 13.525 1.00 18.04 C ATOM 9 CE1 PHE A 5 22.913 53.874 15.785 1.00 18.24 C ATOM 10 CE2 PHE A 5 23.507 53.342 13.509 1.00 18.12 C ATOM 11 CZ PHE A 5 22.741 53.091 14.646 1.00 16.65 C ATOM 0 HA PHE A 5 27.037 55.055 15.692 1.00 18.14 H new ATOM 0 HB2 PHE A 5 25.437 56.915 15.330 1.00 17.84 H new ATOM 0 HB3 PHE A 5 25.712 56.675 13.814 1.00 17.84 H new ATOM 0 HD1 PHE A 5 23.994 55.408 16.561 1.00 17.60 H new ATOM 0 HD2 PHE A 5 24.983 54.528 12.766 1.00 18.04 H new ATOM 0 HE1 PHE A 5 22.389 53.721 16.538 1.00 18.24 H new ATOM 0 HE2 PHE A 5 23.382 52.832 12.741 1.00 18.12 H new ATOM 0 HZ PHE A 5 22.116 52.402 14.644 1.00 16.65 H new ATOM 12 N THR A 6 27.989 53.858 13.744 1.00 16.76 N ATOM 13 CA THR A 6 28.669 53.196 12.624 1.00 16.05 C ATOM 14 C THR A 6 27.799 53.277 11.372 1.00 15.97 C ATOM 15 O THR A 6 26.706 52.709 11.340 1.00 15.70 O ATOM 16 CB THR A 6 28.991 51.707 12.938 1.00 16.31 C ATOM 17 OG1 THR A 6 27.786 51.035 13.317 1.00 15.66 O ATOM 18 CG2 THR A 6 30.015 51.587 14.086 1.00 16.05 C ATOM 0 H THR A 6 27.739 53.324 14.370 1.00 16.76 H new ATOM 0 HA THR A 6 29.510 53.657 12.477 1.00 16.05 H new ATOM 0 HB THR A 6 29.371 51.303 12.142 1.00 16.31 H new ATOM 0 HG1 THR A 6 27.135 51.375 12.909 1.00 15.66 H new ATOM 0 HG21 THR A 6 30.197 50.650 14.261 1.00 16.05 H new ATOM 0 HG22 THR A 6 30.838 52.035 13.834 1.00 16.05 H new ATOM 0 HG23 THR A 6 29.654 52.000 14.886 1.00 16.05 H new ATOM 19 N GLY A 7 28.273 54.015 10.367 1.00 15.62 N ATOM 20 CA GLY A 7 27.528 54.229 9.131 1.00 15.51 C ATOM 21 C GLY A 7 27.979 53.366 7.965 1.00 15.40 C ATOM 22 O GLY A 7 28.696 52.373 8.143 1.00 14.94 O ATOM 0 H GLY A 7 29.039 54.406 10.386 1.00 15.62 H new ATOM 0 HA2 GLY A 7 26.588 54.059 9.300 1.00 15.51 H new ATOM 0 HA3 GLY A 7 27.606 55.162 8.877 1.00 15.51 H new ATOM 23 N GLY A 8 27.562 53.765 6.764 1.00 15.46 N ATOM 24 CA GLY A 8 27.772 52.975 5.558 1.00 15.70 C ATOM 25 C GLY A 8 29.223 52.631 5.291 1.00 16.01 C ATOM 26 O GLY A 8 29.539 51.485 4.958 1.00 15.43 O ATOM 0 H GLY A 8 27.147 54.506 6.628 1.00 15.46 H new ATOM 0 HA2 GLY A 8 27.262 52.153 5.628 1.00 15.70 H new ATOM 0 HA3 GLY A 8 27.420 53.463 4.797 1.00 15.70 H new ATOM 27 N ASP A 9 30.115 53.612 5.449 1.00 16.54 N ATOM 28 CA ASP A 9 31.545 53.371 5.226 1.00 17.18 C ATOM 29 C ASP A 9 32.086 52.278 6.144 1.00 16.68 C ATOM 30 O ASP A 9 32.898 51.456 5.718 1.00 16.56 O ATOM 31 CB ASP A 9 32.361 54.664 5.392 1.00 17.99 C ATOM 32 CG ASP A 9 32.198 55.621 4.211 1.00 21.22 C ATOM 33 OD1 ASP A 9 31.455 55.296 3.251 1.00 23.09 O ATOM 34 OD2 ASP A 9 32.821 56.706 4.241 1.00 23.41 O ATOM 0 H ASP A 9 29.917 54.416 5.682 1.00 16.54 H new ATOM 0 HA ASP A 9 31.640 53.064 4.311 1.00 17.18 H new ATOM 0 HB2 ASP A 9 32.087 55.113 6.207 1.00 17.99 H new ATOM 0 HB3 ASP A 9 33.299 54.439 5.494 1.00 17.99 H new ATOM 35 N GLU A 10 31.622 52.269 7.394 1.00 16.14 N ATOM 36 CA GLU A 10 32.039 51.257 8.373 1.00 16.18 C ATOM 37 C GLU A 10 31.556 49.859 7.979 1.00 14.94 C ATOM 38 O GLU A 10 32.309 48.894 8.086 1.00 15.07 O ATOM 39 CB GLU A 10 31.575 51.633 9.785 1.00 17.22 C ATOM 40 CG GLU A 10 32.006 50.658 10.887 1.00 20.69 C ATOM 41 CD GLU A 10 33.505 50.678 11.192 1.00 26.65 C ATOM 42 OE1 GLU A 10 34.208 51.650 10.800 1.00 27.70 O ATOM 43 OE2 GLU A 10 33.971 49.708 11.839 1.00 28.96 O ATOM 0 H GLU A 10 31.060 52.844 7.699 1.00 16.14 H new ATOM 0 HA GLU A 10 33.009 51.234 8.376 1.00 16.18 H new ATOM 0 HB2 GLU A 10 31.917 52.515 10.000 1.00 17.22 H new ATOM 0 HB3 GLU A 10 30.607 51.696 9.787 1.00 17.22 H new ATOM 0 HG2 GLU A 10 31.518 50.867 11.699 1.00 20.69 H new ATOM 0 HG3 GLU A 10 31.751 49.759 10.627 1.00 20.69 H new ATOM 44 N TYR A 11 30.318 49.749 7.502 1.00 13.73 N ATOM 45 CA TYR A 11 29.836 48.465 6.968 1.00 13.11 C ATOM 46 C TYR A 11 30.677 48.018 5.778 1.00 13.07 C ATOM 47 O TYR A 11 31.190 46.897 5.762 1.00 12.93 O ATOM 48 CB TYR A 11 28.339 48.525 6.605 1.00 12.01 C ATOM 49 CG TYR A 11 27.497 48.334 7.830 1.00 11.51 C ATOM 50 CD1 TYR A 11 27.146 49.419 8.626 1.00 11.19 C ATOM 51 CD2 TYR A 11 27.118 47.048 8.241 1.00 12.23 C ATOM 52 CE1 TYR A 11 26.408 49.244 9.794 1.00 10.24 C ATOM 53 CE2 TYR A 11 26.378 46.858 9.397 1.00 10.39 C ATOM 54 CZ TYR A 11 26.026 47.954 10.167 1.00 9.74 C ATOM 55 OH TYR A 11 25.314 47.775 11.319 1.00 10.15 O ATOM 0 H TYR A 11 29.746 50.391 7.476 1.00 13.73 H new ATOM 0 HA TYR A 11 29.935 47.802 7.669 1.00 13.11 H new ATOM 0 HB2 TYR A 11 28.134 49.379 6.194 1.00 12.01 H new ATOM 0 HB3 TYR A 11 28.131 47.839 5.952 1.00 12.01 H new ATOM 0 HD1 TYR A 11 27.408 50.275 8.374 1.00 11.19 H new ATOM 0 HD2 TYR A 11 27.367 46.312 7.730 1.00 12.23 H new ATOM 0 HE1 TYR A 11 26.173 49.976 10.318 1.00 10.24 H new ATOM 0 HE2 TYR A 11 26.120 46.002 9.654 1.00 10.39 H new ATOM 0 HH TYR A 11 25.061 48.521 11.611 1.00 10.15 H new ATOM 56 N GLN A 12 30.829 48.906 4.799 1.00 13.34 N ATOM 57 CA GLN A 12 31.503 48.546 3.552 1.00 14.17 C ATOM 58 C GLN A 12 32.941 48.084 3.796 1.00 14.95 C ATOM 59 O GLN A 12 33.396 47.103 3.200 1.00 15.47 O ATOM 60 CB GLN A 12 31.472 49.705 2.558 1.00 14.61 C ATOM 61 CG GLN A 12 31.420 49.253 1.096 1.00 14.64 C ATOM 62 CD GLN A 12 30.189 48.407 0.820 1.00 13.75 C ATOM 63 OE1 GLN A 12 30.233 47.180 0.911 1.00 12.22 O ATOM 64 NE2 GLN A 12 29.071 49.068 0.529 1.00 14.11 N ATOM 0 H GLN A 12 30.551 49.719 4.835 1.00 13.34 H new ATOM 0 HA GLN A 12 31.016 47.800 3.169 1.00 14.17 H new ATOM 0 HB2 GLN A 12 30.700 50.262 2.745 1.00 14.61 H new ATOM 0 HB3 GLN A 12 32.258 50.257 2.691 1.00 14.61 H new ATOM 0 HG2 GLN A 12 31.417 50.030 0.516 1.00 14.64 H new ATOM 0 HG3 GLN A 12 32.218 48.744 0.885 1.00 14.64 H new ATOM 0 HE21 GLN A 12 29.081 49.926 0.474 1.00 14.11 H new ATOM 0 HE22 GLN A 12 28.339 48.637 0.396 1.00 14.11 H new ATOM 65 N LYS A 13 33.637 48.773 4.694 1.00 15.40 N ATOM 66 CA LYS A 13 35.034 48.451 4.983 1.00 16.95 C ATOM 67 C LYS A 13 35.179 47.263 5.946 1.00 16.43 C ATOM 68 O LYS A 13 36.106 46.455 5.813 1.00 17.14 O ATOM 69 CB LYS A 13 35.750 49.689 5.557 1.00 17.31 C ATOM 70 CG LYS A 13 37.234 49.502 5.850 1.00 21.82 C ATOM 71 CD LYS A 13 38.085 49.646 4.602 1.00 27.27 C ATOM 72 CE LYS A 13 39.570 49.477 4.929 1.00 30.41 C ATOM 73 NZ LYS A 13 40.418 49.763 3.733 1.00 33.14 N ATOM 0 H LYS A 13 33.320 49.431 5.148 1.00 15.40 H new ATOM 0 HA LYS A 13 35.448 48.190 4.146 1.00 16.95 H new ATOM 0 HB2 LYS A 13 35.648 50.423 4.931 1.00 17.31 H new ATOM 0 HB3 LYS A 13 35.304 49.952 6.377 1.00 17.31 H new ATOM 0 HG2 LYS A 13 37.517 50.154 6.510 1.00 21.82 H new ATOM 0 HG3 LYS A 13 37.378 48.625 6.239 1.00 21.82 H new ATOM 0 HD2 LYS A 13 37.817 48.984 3.946 1.00 27.27 H new ATOM 0 HD3 LYS A 13 37.935 50.517 4.203 1.00 27.27 H new ATOM 0 HE2 LYS A 13 39.815 50.074 5.653 1.00 30.41 H new ATOM 0 HE3 LYS A 13 39.736 48.573 5.238 1.00 30.41 H new ATOM 0 HZ1 LYS A 13 41.276 49.659 3.945 1.00 33.14 H new ATOM 0 HZ2 LYS A 13 40.205 49.201 3.077 1.00 33.14 H new ATOM 0 HZ3 LYS A 13 40.279 50.600 3.463 1.00 33.14 H new ATOM 74 N HIS A 14 34.267 47.149 6.908 1.00 15.80 N ATOM 75 CA HIS A 14 34.534 46.319 8.092 1.00 15.23 C ATOM 76 C HIS A 14 33.508 45.239 8.476 1.00 14.50 C ATOM 77 O HIS A 14 33.791 44.429 9.362 1.00 14.07 O ATOM 78 CB HIS A 14 34.806 47.213 9.307 1.00 15.78 C ATOM 79 CG HIS A 14 36.103 47.965 9.239 1.00 18.72 C ATOM 80 ND1 HIS A 14 36.167 49.342 9.309 1.00 22.00 N ATOM 81 CD2 HIS A 14 37.382 47.534 9.134 1.00 20.92 C ATOM 82 CE1 HIS A 14 37.431 49.727 9.246 1.00 22.30 C ATOM 83 NE2 HIS A 14 38.189 48.648 9.145 1.00 22.98 N ATOM 0 H HIS A 14 33.498 47.535 6.900 1.00 15.80 H new ATOM 0 HA HIS A 14 35.309 45.804 7.818 1.00 15.23 H new ATOM 0 HB2 HIS A 14 34.079 47.849 9.397 1.00 15.78 H new ATOM 0 HB3 HIS A 14 34.803 46.664 10.107 1.00 15.78 H new ATOM 0 HD2 HIS A 14 37.663 46.650 9.067 1.00 20.92 H new ATOM 0 HE1 HIS A 14 37.735 50.606 9.269 1.00 22.30 H new ATOM 0 HE2 HIS A 14 39.047 48.644 9.094 1.00 22.98 H new ATOM 84 N PHE A 15 32.331 45.218 7.845 1.00 13.00 N ATOM 85 CA PHE A 15 31.348 44.157 8.154 1.00 12.66 C ATOM 86 C PHE A 15 31.738 42.852 7.453 1.00 12.77 C ATOM 87 O PHE A 15 31.713 42.770 6.216 1.00 13.05 O ATOM 88 CB PHE A 15 29.930 44.579 7.746 1.00 11.94 C ATOM 89 CG PHE A 15 28.844 43.650 8.238 1.00 11.18 C ATOM 90 CD1 PHE A 15 28.117 43.958 9.391 1.00 11.45 C ATOM 91 CD2 PHE A 15 28.524 42.487 7.535 1.00 10.83 C ATOM 92 CE1 PHE A 15 27.088 43.111 9.842 1.00 10.89 C ATOM 93 CE2 PHE A 15 27.506 41.632 7.981 1.00 11.13 C ATOM 94 CZ PHE A 15 26.791 41.946 9.139 1.00 10.94 C ATOM 0 H PHE A 15 32.081 45.788 7.251 1.00 13.00 H new ATOM 0 HA PHE A 15 31.353 44.013 9.113 1.00 12.66 H new ATOM 0 HB2 PHE A 15 29.758 45.471 8.086 1.00 11.94 H new ATOM 0 HB3 PHE A 15 29.884 44.631 6.778 1.00 11.94 H new ATOM 0 HD1 PHE A 15 28.316 44.732 9.866 1.00 11.45 H new ATOM 0 HD2 PHE A 15 28.993 42.276 6.760 1.00 10.83 H new ATOM 0 HE1 PHE A 15 26.607 43.329 10.608 1.00 10.89 H new ATOM 0 HE2 PHE A 15 27.307 40.857 7.507 1.00 11.13 H new ATOM 0 HZ PHE A 15 26.118 41.379 9.440 1.00 10.94 H new ATOM 95 N LEU A 16 32.076 41.837 8.249 1.00 12.98 N ATOM 96 CA LEU A 16 32.541 40.555 7.733 1.00 13.29 C ATOM 97 C LEU A 16 31.445 39.511 7.881 1.00 13.31 C ATOM 98 O LEU A 16 31.136 39.112 9.008 1.00 13.13 O ATOM 99 CB LEU A 16 33.810 40.093 8.474 1.00 13.61 C ATOM 100 CG LEU A 16 35.025 41.024 8.364 1.00 14.74 C ATOM 101 CD1 LEU A 16 36.211 40.474 9.163 1.00 16.10 C ATOM 102 CD2 LEU A 16 35.397 41.209 6.898 1.00 15.69 C ATOM 0 H LEU A 16 32.041 41.876 9.107 1.00 12.98 H new ATOM 0 HA LEU A 16 32.758 40.663 6.794 1.00 13.29 H new ATOM 0 HB2 LEU A 16 33.593 39.982 9.413 1.00 13.61 H new ATOM 0 HB3 LEU A 16 34.062 39.219 8.136 1.00 13.61 H new ATOM 0 HG LEU A 16 34.793 41.887 8.741 1.00 14.74 H new ATOM 0 HD11 LEU A 16 36.966 41.077 9.079 1.00 16.10 H new ATOM 0 HD12 LEU A 16 35.963 40.395 10.097 1.00 16.10 H new ATOM 0 HD13 LEU A 16 36.456 39.601 8.819 1.00 16.10 H new ATOM 0 HD21 LEU A 16 36.165 41.798 6.831 1.00 15.69 H new ATOM 0 HD22 LEU A 16 35.615 40.348 6.508 1.00 15.69 H new ATOM 0 HD23 LEU A 16 34.648 41.599 6.421 1.00 15.69 H new ATOM 103 N PRO A 17 30.849 39.078 6.753 1.00 13.79 N ATOM 104 CA PRO A 17 29.720 38.147 6.834 1.00 13.90 C ATOM 105 C PRO A 17 30.073 36.856 7.568 1.00 14.32 C ATOM 106 O PRO A 17 29.246 36.318 8.300 1.00 13.86 O ATOM 107 CB PRO A 17 29.368 37.862 5.368 1.00 14.19 C ATOM 108 CG PRO A 17 30.510 38.374 4.557 1.00 15.39 C ATOM 109 CD PRO A 17 31.160 39.454 5.362 1.00 13.82 C ATOM 0 HA PRO A 17 28.983 38.525 7.339 1.00 13.90 H new ATOM 0 HB2 PRO A 17 29.238 36.912 5.222 1.00 14.19 H new ATOM 0 HB3 PRO A 17 28.541 38.303 5.119 1.00 14.19 H new ATOM 0 HG2 PRO A 17 31.140 37.663 4.363 1.00 15.39 H new ATOM 0 HG3 PRO A 17 30.200 38.719 3.705 1.00 15.39 H new ATOM 0 HD2 PRO A 17 32.117 39.489 5.207 1.00 13.82 H new ATOM 0 HD3 PRO A 17 30.804 40.329 5.140 1.00 13.82 H new ATOM 110 N ARG A 18 31.303 36.374 7.406 1.00 14.35 N ATOM 111 CA ARG A 18 31.685 35.131 8.071 1.00 15.37 C ATOM 112 C ARG A 18 31.689 35.265 9.594 1.00 14.30 C ATOM 113 O ARG A 18 31.291 34.339 10.299 1.00 14.63 O ATOM 114 CB ARG A 18 33.016 34.613 7.524 1.00 16.01 C ATOM 115 CG ARG A 18 32.855 34.025 6.134 1.00 20.41 C ATOM 116 CD ARG A 18 32.298 32.621 6.245 1.00 26.65 C ATOM 117 NE ARG A 18 31.356 32.289 5.183 1.00 30.96 N ATOM 118 CZ ARG A 18 31.032 31.040 4.849 1.00 32.11 C ATOM 119 NH1 ARG A 18 31.586 30.016 5.489 1.00 33.26 N ATOM 120 NH2 ARG A 18 30.164 30.811 3.876 1.00 30.29 N ATOM 0 H ARG A 18 31.917 36.740 6.928 1.00 14.35 H new ATOM 0 HA ARG A 18 31.008 34.467 7.868 1.00 15.37 H new ATOM 0 HB2 ARG A 18 33.660 35.338 7.497 1.00 16.01 H new ATOM 0 HB3 ARG A 18 33.373 33.938 8.123 1.00 16.01 H new ATOM 0 HG2 ARG A 18 32.261 34.579 5.604 1.00 20.41 H new ATOM 0 HG3 ARG A 18 33.711 34.009 5.677 1.00 20.41 H new ATOM 0 HD2 ARG A 18 33.031 31.986 6.228 1.00 26.65 H new ATOM 0 HD3 ARG A 18 31.857 32.522 7.103 1.00 26.65 H new ATOM 0 HE ARG A 18 30.989 32.934 4.748 1.00 30.96 H new ATOM 0 HH11 ARG A 18 32.154 30.159 6.119 1.00 33.26 H new ATOM 0 HH12 ARG A 18 31.377 29.210 5.273 1.00 33.26 H new ATOM 0 HH21 ARG A 18 29.806 31.470 3.455 1.00 30.29 H new ATOM 0 HH22 ARG A 18 29.958 30.003 3.664 1.00 30.29 H new ATOM 121 N ASP A 19 32.086 36.436 10.083 1.00 13.55 N ATOM 122 CA ASP A 19 32.024 36.738 11.509 1.00 13.05 C ATOM 123 C ASP A 19 30.570 36.896 11.977 1.00 12.09 C ATOM 124 O ASP A 19 30.210 36.432 13.060 1.00 11.97 O ATOM 125 CB ASP A 19 32.834 37.985 11.832 1.00 13.22 C ATOM 126 CG ASP A 19 34.345 37.756 11.727 1.00 15.69 C ATOM 127 OD1 ASP A 19 34.781 36.638 11.347 1.00 17.56 O ATOM 128 OD2 ASP A 19 35.095 38.707 12.023 1.00 17.57 O ATOM 0 H ASP A 19 32.398 37.075 9.600 1.00 13.55 H new ATOM 0 HA ASP A 19 32.413 35.991 11.990 1.00 13.05 H new ATOM 0 HB2 ASP A 19 32.577 38.698 11.227 1.00 13.22 H new ATOM 0 HB3 ASP A 19 32.618 38.282 12.730 1.00 13.22 H new ATOM 129 N TYR A 20 29.746 37.544 11.155 1.00 11.07 N ATOM 130 CA TYR A 20 28.325 37.694 11.460 1.00 10.48 C ATOM 131 C TYR A 20 27.648 36.325 11.587 1.00 10.79 C ATOM 132 O TYR A 20 26.933 36.058 12.557 1.00 11.14 O ATOM 133 CB TYR A 20 27.625 38.532 10.382 1.00 10.23 C ATOM 134 CG TYR A 20 26.169 38.791 10.690 1.00 9.91 C ATOM 135 CD1 TYR A 20 25.797 39.694 11.698 1.00 11.05 C ATOM 136 CD2 TYR A 20 25.160 38.133 9.980 1.00 8.59 C ATOM 137 CE1 TYR A 20 24.456 39.931 11.995 1.00 9.19 C ATOM 138 CE2 TYR A 20 23.811 38.378 10.264 1.00 8.36 C ATOM 139 CZ TYR A 20 23.475 39.266 11.275 1.00 9.68 C ATOM 140 OH TYR A 20 22.155 39.508 11.573 1.00 9.25 O ATOM 0 H TYR A 20 29.991 37.905 10.414 1.00 11.07 H new ATOM 0 HA TYR A 20 28.248 38.155 12.310 1.00 10.48 H new ATOM 0 HB2 TYR A 20 28.087 39.380 10.288 1.00 10.23 H new ATOM 0 HB3 TYR A 20 27.694 38.076 9.529 1.00 10.23 H new ATOM 0 HD1 TYR A 20 26.457 40.142 12.176 1.00 11.05 H new ATOM 0 HD2 TYR A 20 25.387 37.527 9.312 1.00 8.59 H new ATOM 0 HE1 TYR A 20 24.222 40.528 12.668 1.00 9.19 H new ATOM 0 HE2 TYR A 20 23.145 37.948 9.778 1.00 8.36 H new ATOM 0 HH TYR A 20 21.665 39.058 11.060 1.00 9.25 H new ATOM 141 N LEU A 21 27.897 35.452 10.611 1.00 10.82 N ATOM 142 CA LEU A 21 27.302 34.115 10.637 1.00 10.86 C ATOM 143 C LEU A 21 27.785 33.306 11.849 1.00 10.85 C ATOM 144 O LEU A 21 27.005 32.573 12.457 1.00 10.50 O ATOM 145 CB LEU A 21 27.585 33.363 9.338 1.00 10.91 C ATOM 146 CG LEU A 21 26.988 33.980 8.075 1.00 10.38 C ATOM 147 CD1 LEU A 21 27.667 33.407 6.833 1.00 11.06 C ATOM 148 CD2 LEU A 21 25.474 33.733 8.041 1.00 10.54 C ATOM 0 H LEU A 21 28.401 35.611 9.933 1.00 10.82 H new ATOM 0 HA LEU A 21 26.342 34.227 10.720 1.00 10.86 H new ATOM 0 HB2 LEU A 21 28.546 33.298 9.224 1.00 10.91 H new ATOM 0 HB3 LEU A 21 27.248 32.458 9.427 1.00 10.91 H new ATOM 0 HG LEU A 21 27.142 34.938 8.084 1.00 10.38 H new ATOM 0 HD11 LEU A 21 27.279 33.806 6.039 1.00 11.06 H new ATOM 0 HD12 LEU A 21 28.616 33.604 6.863 1.00 11.06 H new ATOM 0 HD13 LEU A 21 27.537 32.446 6.807 1.00 11.06 H new ATOM 0 HD21 LEU A 21 25.100 34.127 7.237 1.00 10.54 H new ATOM 0 HD22 LEU A 21 25.302 32.778 8.044 1.00 10.54 H new ATOM 0 HD23 LEU A 21 25.062 34.138 8.821 1.00 10.54 H new ATOM 149 N ALA A 22 29.061 33.450 12.205 1.00 10.92 N ATOM 150 CA ALA A 22 29.606 32.725 13.355 1.00 11.39 C ATOM 151 C ALA A 22 28.994 33.206 14.674 1.00 12.03 C ATOM 152 O ALA A 22 28.832 32.422 15.619 1.00 12.64 O ATOM 153 CB ALA A 22 31.125 32.853 13.391 1.00 11.60 C ATOM 0 H ALA A 22 29.624 33.958 11.799 1.00 10.92 H new ATOM 0 HA ALA A 22 29.371 31.790 13.251 1.00 11.39 H new ATOM 0 HB1 ALA A 22 31.473 32.369 14.156 1.00 11.60 H new ATOM 0 HB2 ALA A 22 31.501 32.483 12.577 1.00 11.60 H new ATOM 0 HB3 ALA A 22 31.369 33.789 13.463 1.00 11.60 H new ATOM 154 N THR A 23 28.651 34.490 14.743 1.00 11.23 N ATOM 155 CA THR A 23 28.093 35.050 15.973 1.00 11.32 C ATOM 156 C THR A 23 26.618 34.653 16.165 1.00 11.02 C ATOM 157 O THR A 23 26.231 34.203 17.253 1.00 11.69 O ATOM 158 CB THR A 23 28.283 36.589 16.023 1.00 11.41 C ATOM 159 OG1 THR A 23 29.690 36.891 15.979 1.00 11.67 O ATOM 160 CG2 THR A 23 27.693 37.172 17.303 1.00 12.04 C ATOM 0 H THR A 23 28.732 35.050 14.095 1.00 11.23 H new ATOM 0 HA THR A 23 28.586 34.669 16.716 1.00 11.32 H new ATOM 0 HB THR A 23 27.825 36.981 15.263 1.00 11.41 H new ATOM 0 HG1 THR A 23 29.949 36.905 15.180 1.00 11.67 H new ATOM 0 HG21 THR A 23 27.824 38.133 17.311 1.00 12.04 H new ATOM 0 HG22 THR A 23 26.744 36.975 17.341 1.00 12.04 H new ATOM 0 HG23 THR A 23 28.136 36.779 18.072 1.00 12.04 H new ATOM 161 N TYR A 24 25.815 34.796 15.106 1.00 10.22 N ATOM 162 CA TYR A 24 24.349 34.708 15.211 1.00 10.21 C ATOM 163 C TYR A 24 23.729 33.455 14.607 1.00 10.35 C ATOM 164 O TYR A 24 22.597 33.118 14.934 1.00 9.96 O ATOM 165 CB TYR A 24 23.673 35.979 14.635 1.00 9.94 C ATOM 166 CG TYR A 24 24.096 37.208 15.396 1.00 9.85 C ATOM 167 CD1 TYR A 24 23.567 37.478 16.661 1.00 10.13 C ATOM 168 CD2 TYR A 24 25.089 38.058 14.888 1.00 9.37 C ATOM 169 CE1 TYR A 24 23.986 38.588 17.396 1.00 10.23 C ATOM 170 CE2 TYR A 24 25.508 39.173 15.611 1.00 9.43 C ATOM 171 CZ TYR A 24 24.964 39.418 16.872 1.00 9.11 C ATOM 172 OH TYR A 24 25.381 40.505 17.605 1.00 10.82 O ATOM 0 H TYR A 24 26.101 34.946 14.309 1.00 10.22 H new ATOM 0 HA TYR A 24 24.176 34.644 16.163 1.00 10.21 H new ATOM 0 HB2 TYR A 24 23.907 36.078 13.699 1.00 9.94 H new ATOM 0 HB3 TYR A 24 22.709 35.884 14.678 1.00 9.94 H new ATOM 0 HD1 TYR A 24 22.925 36.908 17.019 1.00 10.13 H new ATOM 0 HD2 TYR A 24 25.472 37.876 14.060 1.00 9.37 H new ATOM 0 HE1 TYR A 24 23.613 38.769 18.228 1.00 10.23 H new ATOM 0 HE2 TYR A 24 26.145 39.749 15.256 1.00 9.43 H new ATOM 0 HH TYR A 24 26.155 40.726 17.364 1.00 10.82 H new ATOM 173 N TYR A 25 24.465 32.781 13.721 1.00 10.24 N ATOM 174 CA TYR A 25 23.917 31.654 12.973 1.00 10.49 C ATOM 175 C TYR A 25 24.920 30.501 12.896 1.00 11.56 C ATOM 176 O TYR A 25 25.118 29.910 11.841 1.00 11.31 O ATOM 177 CB TYR A 25 23.470 32.122 11.577 1.00 10.39 C ATOM 178 CG TYR A 25 22.479 33.267 11.633 1.00 9.70 C ATOM 179 CD1 TYR A 25 21.128 33.032 11.925 1.00 9.07 C ATOM 180 CD2 TYR A 25 22.893 34.588 11.420 1.00 9.81 C ATOM 181 CE1 TYR A 25 20.205 34.094 11.997 1.00 10.32 C ATOM 182 CE2 TYR A 25 21.971 35.668 11.485 1.00 9.34 C ATOM 183 CZ TYR A 25 20.639 35.405 11.786 1.00 10.21 C ATOM 184 OH TYR A 25 19.719 36.438 11.855 1.00 9.99 O ATOM 0 H TYR A 25 25.286 32.963 13.540 1.00 10.24 H new ATOM 0 HA TYR A 25 23.138 31.314 13.441 1.00 10.49 H new ATOM 0 HB2 TYR A 25 24.248 32.398 11.068 1.00 10.39 H new ATOM 0 HB3 TYR A 25 23.070 31.376 11.103 1.00 10.39 H new ATOM 0 HD1 TYR A 25 20.837 32.161 12.073 1.00 9.07 H new ATOM 0 HD2 TYR A 25 23.787 34.762 11.233 1.00 9.81 H new ATOM 0 HE1 TYR A 25 19.310 33.923 12.184 1.00 10.32 H new ATOM 0 HE2 TYR A 25 22.255 36.540 11.328 1.00 9.34 H new ATOM 0 HH TYR A 25 20.012 37.103 11.434 1.00 9.99 H new ATOM 185 N SER A 26 25.530 30.176 14.038 1.00 12.40 N ATOM 186 CA SER A 26 26.649 29.223 14.072 1.00 13.79 C ATOM 187 C SER A 26 26.284 27.774 13.744 1.00 14.14 C ATOM 188 O SER A 26 27.151 27.004 13.305 1.00 14.36 O ATOM 189 CB SER A 26 27.352 29.273 15.439 1.00 14.46 C ATOM 190 OG SER A 26 26.539 28.673 16.429 1.00 17.29 O ATOM 0 H SER A 26 25.312 30.496 14.806 1.00 12.40 H new ATOM 0 HA SER A 26 27.241 29.514 13.361 1.00 13.79 H new ATOM 0 HB2 SER A 26 28.204 28.813 15.389 1.00 14.46 H new ATOM 0 HB3 SER A 26 27.540 30.194 15.680 1.00 14.46 H new ATOM 0 HG SER A 26 25.972 29.229 16.701 1.00 17.29 H new ATOM 191 N PHE A 27 25.023 27.406 13.981 1.00 14.07 N ATOM 192 CA PHE A 27 24.553 26.010 13.867 1.00 14.40 C ATOM 193 C PHE A 27 25.464 25.023 14.599 1.00 14.98 C ATOM 194 O PHE A 27 25.844 23.985 14.051 1.00 14.63 O ATOM 195 CB PHE A 27 24.340 25.593 12.404 1.00 13.94 C ATOM 196 CG PHE A 27 23.304 26.416 11.697 1.00 13.29 C ATOM 197 CD1 PHE A 27 21.984 26.425 12.147 1.00 13.60 C ATOM 198 CD2 PHE A 27 23.646 27.194 10.597 1.00 12.75 C ATOM 199 CE1 PHE A 27 21.017 27.206 11.506 1.00 14.31 C ATOM 200 CE2 PHE A 27 22.684 27.982 9.951 1.00 11.66 C ATOM 201 CZ PHE A 27 21.382 27.987 10.401 1.00 14.08 C ATOM 0 H PHE A 27 24.408 27.960 14.214 1.00 14.07 H new ATOM 0 HA PHE A 27 23.690 25.979 14.309 1.00 14.40 H new ATOM 0 HB2 PHE A 27 25.182 25.666 11.928 1.00 13.94 H new ATOM 0 HB3 PHE A 27 24.077 24.660 12.375 1.00 13.94 H new ATOM 0 HD1 PHE A 27 21.744 25.906 12.881 1.00 13.60 H new ATOM 0 HD2 PHE A 27 24.523 27.192 10.286 1.00 12.75 H new ATOM 0 HE1 PHE A 27 20.138 27.207 11.811 1.00 14.31 H new ATOM 0 HE2 PHE A 27 22.925 28.502 9.218 1.00 11.66 H new ATOM 0 HZ PHE A 27 20.744 28.510 9.971 1.00 14.08 H new ATOM 202 N ASP A 28 25.807 25.360 15.838 1.00 15.80 N ATOM 203 CA ASP A 28 26.678 24.490 16.629 1.00 17.36 C ATOM 204 C ASP A 28 25.904 23.388 17.352 1.00 17.52 C ATOM 205 O ASP A 28 26.495 22.593 18.094 1.00 17.89 O ATOM 206 CB ASP A 28 27.561 25.313 17.595 1.00 17.33 C ATOM 207 CG ASP A 28 26.793 25.885 18.788 1.00 19.42 C ATOM 208 OD1 ASP A 28 25.562 25.719 18.888 1.00 18.88 O ATOM 209 OD2 ASP A 28 27.447 26.523 19.649 1.00 22.07 O ATOM 0 H ASP A 28 25.551 26.078 16.237 1.00 15.80 H new ATOM 0 HA ASP A 28 27.270 24.037 16.008 1.00 17.36 H new ATOM 0 HB2 ASP A 28 28.280 24.751 17.922 1.00 17.33 H new ATOM 0 HB3 ASP A 28 27.972 26.042 17.104 1.00 17.33 H new ATOM 210 N GLY A 29 24.586 23.352 17.145 1.00 17.12 N ATOM 211 CA GLY A 29 23.735 22.299 17.710 1.00 17.28 C ATOM 212 C GLY A 29 23.391 22.451 19.182 1.00 17.18 C ATOM 213 O GLY A 29 22.639 21.629 19.740 1.00 17.37 O ATOM 0 H GLY A 29 24.161 23.934 16.676 1.00 17.12 H new ATOM 0 HA2 GLY A 29 22.909 22.267 17.203 1.00 17.28 H new ATOM 0 HA3 GLY A 29 24.178 21.445 17.585 1.00 17.28 H new ATOM 214 N SER A 30 23.936 23.488 19.820 1.00 16.57 N ATOM 215 CA SER A 30 23.742 23.698 21.260 1.00 16.35 C ATOM 216 C SER A 30 22.454 24.460 21.561 1.00 16.21 C ATOM 217 O SER A 30 21.936 25.162 20.692 1.00 15.89 O ATOM 218 CB SER A 30 24.931 24.462 21.861 1.00 16.58 C ATOM 219 OG SER A 30 24.841 25.863 21.605 1.00 17.34 O ATOM 0 H SER A 30 24.423 24.084 19.437 1.00 16.57 H new ATOM 0 HA SER A 30 23.678 22.819 21.664 1.00 16.35 H new ATOM 0 HB2 SER A 30 24.964 24.309 22.818 1.00 16.58 H new ATOM 0 HB3 SER A 30 25.758 24.117 21.490 1.00 16.58 H new ATOM 0 HG SER A 30 25.020 26.013 20.798 1.00 17.34 H new ATOM 220 N PRO A 31 21.940 24.333 22.796 1.00 15.71 N ATOM 221 CA PRO A 31 20.856 25.213 23.234 1.00 15.36 C ATOM 222 C PRO A 31 21.435 26.613 23.402 1.00 15.02 C ATOM 223 O PRO A 31 22.407 26.777 24.133 1.00 14.29 O ATOM 224 CB PRO A 31 20.472 24.649 24.604 1.00 15.39 C ATOM 225 CG PRO A 31 21.104 23.284 24.672 1.00 16.34 C ATOM 226 CD PRO A 31 22.329 23.369 23.849 1.00 15.59 C ATOM 0 HA PRO A 31 20.104 25.257 22.623 1.00 15.36 H new ATOM 0 HB2 PRO A 31 20.796 25.219 25.319 1.00 15.39 H new ATOM 0 HB3 PRO A 31 19.508 24.592 24.700 1.00 15.39 H new ATOM 0 HG2 PRO A 31 21.315 23.043 25.588 1.00 16.34 H new ATOM 0 HG3 PRO A 31 20.502 22.604 24.332 1.00 16.34 H new ATOM 0 HD2 PRO A 31 23.089 23.683 24.364 1.00 15.59 H new ATOM 0 HD3 PRO A 31 22.575 22.508 23.477 1.00 15.59 H new ATOM 227 N SER A 32 20.893 27.611 22.705 1.00 13.83 N ATOM 228 CA SER A 32 21.495 28.943 22.806 1.00 13.15 C ATOM 229 C SER A 32 20.490 30.049 22.488 1.00 12.13 C ATOM 230 O SER A 32 19.551 29.822 21.724 1.00 11.34 O ATOM 231 CB SER A 32 22.737 29.054 21.906 1.00 14.25 C ATOM 232 OG SER A 32 22.462 29.647 20.655 1.00 14.71 O ATOM 0 H SER A 32 20.208 27.547 22.189 1.00 13.83 H new ATOM 0 HA SER A 32 21.774 29.064 23.727 1.00 13.15 H new ATOM 0 HB2 SER A 32 23.415 29.575 22.363 1.00 14.25 H new ATOM 0 HB3 SER A 32 23.107 28.169 21.764 1.00 14.25 H new ATOM 0 HG SER A 32 22.665 29.112 20.040 1.00 14.71 H new ATOM 233 N PRO A 33 20.704 31.249 23.057 1.00 11.55 N ATOM 234 CA PRO A 33 19.752 32.353 22.813 1.00 11.01 C ATOM 235 C PRO A 33 19.742 32.752 21.333 1.00 10.26 C ATOM 236 O PRO A 33 18.686 33.065 20.793 1.00 9.08 O ATOM 237 CB PRO A 33 20.287 33.507 23.675 1.00 11.33 C ATOM 238 CG PRO A 33 21.386 32.936 24.529 1.00 12.19 C ATOM 239 CD PRO A 33 21.824 31.636 23.941 1.00 11.54 C ATOM 0 HA PRO A 33 18.840 32.108 23.035 1.00 11.01 H new ATOM 0 HB2 PRO A 33 20.623 34.226 23.117 1.00 11.33 H new ATOM 0 HB3 PRO A 33 19.582 33.881 24.226 1.00 11.33 H new ATOM 0 HG2 PRO A 33 22.133 33.554 24.573 1.00 12.19 H new ATOM 0 HG3 PRO A 33 21.072 32.805 25.437 1.00 12.19 H new ATOM 0 HD2 PRO A 33 22.652 31.731 23.445 1.00 11.54 H new ATOM 0 HD3 PRO A 33 21.981 30.970 24.628 1.00 11.54 H new ATOM 240 N GLU A 34 20.907 32.707 20.679 1.00 9.40 N ATOM 241 CA GLU A 34 20.985 33.027 19.237 1.00 10.28 C ATOM 242 C GLU A 34 20.118 32.062 18.420 1.00 10.17 C ATOM 243 O GLU A 34 19.380 32.477 17.523 1.00 9.88 O ATOM 244 CB GLU A 34 22.447 32.992 18.752 1.00 10.15 C ATOM 245 CG GLU A 34 23.298 34.224 19.164 1.00 10.85 C ATOM 246 CD GLU A 34 23.506 34.367 20.680 1.00 12.43 C ATOM 247 OE1 GLU A 34 23.683 33.338 21.379 1.00 13.64 O ATOM 248 OE2 GLU A 34 23.508 35.517 21.173 1.00 12.41 O ATOM 0 H GLU A 34 21.658 32.497 21.042 1.00 9.40 H new ATOM 0 HA GLU A 34 20.643 33.925 19.105 1.00 10.28 H new ATOM 0 HB2 GLU A 34 22.871 32.191 19.099 1.00 10.15 H new ATOM 0 HB3 GLU A 34 22.452 32.920 17.785 1.00 10.15 H new ATOM 0 HG2 GLU A 34 24.165 34.164 18.733 1.00 10.85 H new ATOM 0 HG3 GLU A 34 22.869 35.027 18.829 1.00 10.85 H new ATOM 249 N ALA A 35 20.203 30.772 18.748 1.00 10.09 N ATOM 250 CA ALA A 35 19.370 29.748 18.109 1.00 9.98 C ATOM 251 C ALA A 35 17.881 30.014 18.356 1.00 9.93 C ATOM 252 O ALA A 35 17.050 29.841 17.461 1.00 10.05 O ATOM 253 CB ALA A 35 19.754 28.352 18.610 1.00 10.04 C ATOM 0 H ALA A 35 20.742 30.466 19.344 1.00 10.09 H new ATOM 0 HA ALA A 35 19.528 29.789 17.153 1.00 9.98 H new ATOM 0 HB1 ALA A 35 19.194 27.688 18.178 1.00 10.04 H new ATOM 0 HB2 ALA A 35 20.684 28.177 18.399 1.00 10.04 H new ATOM 0 HB3 ALA A 35 19.627 28.306 19.571 1.00 10.04 H new ATOM 254 N GLU A 36 17.548 30.442 19.574 1.00 10.04 N ATOM 255 CA GLU A 36 16.158 30.737 19.914 1.00 10.50 C ATOM 256 C GLU A 36 15.626 31.934 19.129 1.00 10.42 C ATOM 257 O GLU A 36 14.441 31.968 18.765 1.00 10.49 O ATOM 258 CB GLU A 36 16.016 30.974 21.417 1.00 10.89 C ATOM 259 CG GLU A 36 16.257 29.716 22.245 1.00 12.46 C ATOM 260 CD GLU A 36 15.347 28.567 21.862 1.00 14.23 C ATOM 261 OE1 GLU A 36 14.112 28.696 22.041 1.00 16.09 O ATOM 262 OE2 GLU A 36 15.860 27.533 21.377 1.00 14.65 O ATOM 0 H GLU A 36 18.109 30.567 20.214 1.00 10.04 H new ATOM 0 HA GLU A 36 15.624 29.966 19.666 1.00 10.50 H new ATOM 0 HB2 GLU A 36 16.644 31.661 21.692 1.00 10.89 H new ATOM 0 HB3 GLU A 36 15.126 31.312 21.603 1.00 10.89 H new ATOM 0 HG2 GLU A 36 17.181 29.439 22.140 1.00 12.46 H new ATOM 0 HG3 GLU A 36 16.128 29.924 23.184 1.00 12.46 H new ATOM 263 N MET A 37 16.494 32.903 18.862 1.00 10.55 N ATOM 264 CA MET A 37 16.075 34.071 18.091 1.00 10.73 C ATOM 265 C MET A 37 15.740 33.659 16.664 1.00 10.44 C ATOM 266 O MET A 37 14.709 34.067 16.119 1.00 10.56 O ATOM 267 CB MET A 37 17.133 35.173 18.083 1.00 11.52 C ATOM 268 CG MET A 37 16.620 36.480 17.465 1.00 14.09 C ATOM 269 SD MET A 37 15.257 37.219 18.415 1.00 19.42 S ATOM 270 CE MET A 37 15.966 37.239 20.042 1.00 15.03 C ATOM 0 H MET A 37 17.317 32.906 19.112 1.00 10.55 H new ATOM 0 HA MET A 37 15.285 34.434 18.522 1.00 10.73 H new ATOM 0 HB2 MET A 37 17.425 35.342 18.992 1.00 11.52 H new ATOM 0 HB3 MET A 37 17.909 34.868 17.588 1.00 11.52 H new ATOM 0 HG2 MET A 37 17.351 37.115 17.408 1.00 14.09 H new ATOM 0 HG3 MET A 37 16.322 36.309 16.558 1.00 14.09 H new ATOM 0 HE1 MET A 37 15.355 37.676 20.656 1.00 15.03 H new ATOM 0 HE2 MET A 37 16.124 36.329 20.337 1.00 15.03 H new ATOM 0 HE3 MET A 37 16.806 37.723 20.023 1.00 15.03 H new ATOM 271 N LEU A 38 16.614 32.849 16.076 1.00 9.84 N ATOM 272 CA LEU A 38 16.367 32.273 14.758 1.00 10.20 C ATOM 273 C LEU A 38 15.052 31.495 14.724 1.00 10.01 C ATOM 274 O LEU A 38 14.248 31.659 13.799 1.00 10.30 O ATOM 275 CB LEU A 38 17.535 31.372 14.336 1.00 9.84 C ATOM 276 CG LEU A 38 17.427 30.603 13.005 1.00 10.73 C ATOM 277 CD1 LEU A 38 17.181 31.501 11.800 1.00 11.84 C ATOM 278 CD2 LEU A 38 18.690 29.759 12.797 1.00 10.87 C ATOM 0 H LEU A 38 17.364 32.618 16.428 1.00 9.84 H new ATOM 0 HA LEU A 38 16.294 33.005 14.126 1.00 10.20 H new ATOM 0 HB2 LEU A 38 18.332 31.923 14.295 1.00 9.84 H new ATOM 0 HB3 LEU A 38 17.676 30.722 15.042 1.00 9.84 H new ATOM 0 HG LEU A 38 16.647 30.030 13.072 1.00 10.73 H new ATOM 0 HD11 LEU A 38 17.123 30.958 10.998 1.00 11.84 H new ATOM 0 HD12 LEU A 38 16.350 31.986 11.922 1.00 11.84 H new ATOM 0 HD13 LEU A 38 17.913 32.131 11.711 1.00 11.84 H new ATOM 0 HD21 LEU A 38 18.622 29.275 11.959 1.00 10.87 H new ATOM 0 HD22 LEU A 38 19.467 30.339 12.772 1.00 10.87 H new ATOM 0 HD23 LEU A 38 18.782 29.128 13.528 1.00 10.87 H new ATOM 279 N LYS A 39 14.832 30.661 15.737 1.00 9.85 N ATOM 280 CA LYS A 39 13.606 29.864 15.825 1.00 10.60 C ATOM 281 C LYS A 39 12.366 30.743 15.867 1.00 10.24 C ATOM 282 O LYS A 39 11.385 30.465 15.162 1.00 10.39 O ATOM 283 CB LYS A 39 13.623 28.951 17.050 1.00 10.84 C ATOM 284 CG LYS A 39 14.576 27.778 16.952 1.00 14.88 C ATOM 285 CD LYS A 39 14.429 26.953 18.234 1.00 18.50 C ATOM 286 CE LYS A 39 15.523 25.912 18.401 1.00 22.92 C ATOM 287 NZ LYS A 39 15.390 25.278 19.761 1.00 22.12 N ATOM 0 H LYS A 39 15.382 30.540 16.387 1.00 9.85 H new ATOM 0 HA LYS A 39 13.572 29.318 15.024 1.00 10.60 H new ATOM 0 HB2 LYS A 39 13.859 29.479 17.829 1.00 10.84 H new ATOM 0 HB3 LYS A 39 12.726 28.612 17.198 1.00 10.84 H new ATOM 0 HG2 LYS A 39 14.371 27.237 16.173 1.00 14.88 H new ATOM 0 HG3 LYS A 39 15.489 28.089 16.850 1.00 14.88 H new ATOM 0 HD2 LYS A 39 14.438 27.549 18.999 1.00 18.50 H new ATOM 0 HD3 LYS A 39 13.566 26.510 18.230 1.00 18.50 H new ATOM 0 HE2 LYS A 39 15.452 25.237 17.708 1.00 22.92 H new ATOM 0 HE3 LYS A 39 16.396 26.325 18.307 1.00 22.92 H new ATOM 0 HZ1 LYS A 39 15.991 24.627 19.845 1.00 22.12 H new ATOM 0 HZ2 LYS A 39 15.529 25.892 20.390 1.00 22.12 H new ATOM 0 HZ3 LYS A 39 14.572 24.940 19.852 1.00 22.12 H new ATOM 288 N PHE A 40 12.405 31.789 16.697 1.00 10.41 N ATOM 289 CA PHE A 40 11.294 32.728 16.796 1.00 10.74 C ATOM 290 C PHE A 40 10.975 33.317 15.427 1.00 10.19 C ATOM 291 O PHE A 40 9.820 33.332 14.997 1.00 9.58 O ATOM 292 CB PHE A 40 11.598 33.850 17.792 1.00 11.54 C ATOM 293 CG PHE A 40 10.595 34.967 17.748 1.00 13.50 C ATOM 294 CD1 PHE A 40 9.326 34.795 18.294 1.00 15.59 C ATOM 295 CD2 PHE A 40 10.908 36.173 17.122 1.00 14.05 C ATOM 296 CE1 PHE A 40 8.378 35.837 18.230 1.00 15.10 C ATOM 297 CE2 PHE A 40 9.970 37.218 17.059 1.00 15.78 C ATOM 298 CZ PHE A 40 8.712 37.041 17.616 1.00 13.67 C ATOM 0 H PHE A 40 13.070 31.970 17.211 1.00 10.41 H new ATOM 0 HA PHE A 40 10.522 32.239 17.120 1.00 10.74 H new ATOM 0 HB2 PHE A 40 11.623 33.481 18.689 1.00 11.54 H new ATOM 0 HB3 PHE A 40 12.481 34.208 17.608 1.00 11.54 H new ATOM 0 HD1 PHE A 40 9.103 33.990 18.702 1.00 15.59 H new ATOM 0 HD2 PHE A 40 11.749 36.288 16.741 1.00 14.05 H new ATOM 0 HE1 PHE A 40 7.532 35.720 18.597 1.00 15.10 H new ATOM 0 HE2 PHE A 40 10.191 38.022 16.647 1.00 15.78 H new ATOM 0 HZ PHE A 40 8.089 37.730 17.579 1.00 13.67 H new ATOM 299 N ASN A 41 12.001 33.790 14.731 1.00 10.07 N ATOM 300 CA ASN A 41 11.778 34.345 13.402 1.00 10.04 C ATOM 301 C ASN A 41 11.228 33.323 12.417 1.00 9.37 C ATOM 302 O ASN A 41 10.293 33.616 11.666 1.00 9.14 O ATOM 303 CB ASN A 41 13.049 35.012 12.881 1.00 9.96 C ATOM 304 CG ASN A 41 13.201 36.412 13.408 1.00 13.16 C ATOM 305 OD1 ASN A 41 12.243 37.185 13.387 1.00 16.17 O ATOM 306 ND2 ASN A 41 14.397 36.757 13.874 1.00 14.61 N ATOM 0 H ASN A 41 12.817 33.800 15.002 1.00 10.07 H new ATOM 0 HA ASN A 41 11.090 35.024 13.486 1.00 10.04 H new ATOM 0 HB2 ASN A 41 13.821 34.484 13.139 1.00 9.96 H new ATOM 0 HB3 ASN A 41 13.030 35.032 11.911 1.00 9.96 H new ATOM 0 HD21 ASN A 41 14.527 37.551 14.179 1.00 14.61 H new ATOM 0 HD22 ASN A 41 15.041 36.187 13.871 1.00 14.61 H new ATOM 307 N LEU A 42 11.778 32.110 12.440 1.00 9.24 N ATOM 308 CA LEU A 42 11.277 31.057 11.555 1.00 9.48 C ATOM 309 C LEU A 42 9.805 30.737 11.851 1.00 9.54 C ATOM 310 O LEU A 42 9.009 30.529 10.939 1.00 9.39 O ATOM 311 CB LEU A 42 12.156 29.805 11.638 1.00 9.68 C ATOM 312 CG LEU A 42 13.530 29.967 10.973 1.00 9.55 C ATOM 313 CD1 LEU A 42 14.378 28.721 11.234 1.00 10.06 C ATOM 314 CD2 LEU A 42 13.416 30.222 9.461 1.00 9.15 C ATOM 0 H LEU A 42 12.430 31.878 12.950 1.00 9.24 H new ATOM 0 HA LEU A 42 11.323 31.385 10.643 1.00 9.48 H new ATOM 0 HB2 LEU A 42 12.283 29.571 12.571 1.00 9.68 H new ATOM 0 HB3 LEU A 42 11.689 29.064 11.220 1.00 9.68 H new ATOM 0 HG LEU A 42 13.958 30.745 11.364 1.00 9.55 H new ATOM 0 HD11 LEU A 42 15.246 28.826 10.813 1.00 10.06 H new ATOM 0 HD12 LEU A 42 14.495 28.603 12.190 1.00 10.06 H new ATOM 0 HD13 LEU A 42 13.932 27.943 10.865 1.00 10.06 H new ATOM 0 HD21 LEU A 42 14.303 30.318 9.081 1.00 9.15 H new ATOM 0 HD22 LEU A 42 12.964 29.474 9.040 1.00 9.15 H new ATOM 0 HD23 LEU A 42 12.909 31.035 9.307 1.00 9.15 H new ATOM 315 N GLU A 43 9.447 30.714 13.130 1.00 9.96 N ATOM 316 CA GLU A 43 8.047 30.505 13.520 1.00 10.32 C ATOM 317 C GLU A 43 7.123 31.620 13.012 1.00 10.26 C ATOM 318 O GLU A 43 6.057 31.343 12.435 1.00 10.01 O ATOM 319 CB GLU A 43 7.950 30.355 15.030 1.00 10.81 C ATOM 320 CG GLU A 43 8.489 28.996 15.490 1.00 12.72 C ATOM 321 CD GLU A 43 8.745 28.901 16.984 1.00 18.46 C ATOM 322 OE1 GLU A 43 8.692 29.929 17.700 1.00 19.24 O ATOM 323 OE2 GLU A 43 9.017 27.767 17.438 1.00 20.01 O ATOM 0 H GLU A 43 9.992 30.816 13.787 1.00 9.96 H new ATOM 0 HA GLU A 43 7.741 29.686 13.099 1.00 10.32 H new ATOM 0 HB2 GLU A 43 8.450 31.066 15.461 1.00 10.81 H new ATOM 0 HB3 GLU A 43 7.025 30.450 15.308 1.00 10.81 H new ATOM 0 HG2 GLU A 43 7.857 28.306 15.236 1.00 12.72 H new ATOM 0 HG3 GLU A 43 9.316 28.811 15.018 1.00 12.72 H new ATOM 324 N CYS A 44 7.521 32.871 13.242 1.00 10.09 N ATOM 325 CA CYS A 44 6.777 34.032 12.747 1.00 9.47 C ATOM 326 C CYS A 44 6.624 33.991 11.235 1.00 8.99 C ATOM 327 O CYS A 44 5.554 34.269 10.710 1.00 8.78 O ATOM 328 CB CYS A 44 7.493 35.334 13.131 1.00 9.73 C ATOM 329 SG CYS A 44 7.383 35.694 14.890 1.00 11.87 S ATOM 0 H CYS A 44 8.228 33.071 13.688 1.00 10.09 H new ATOM 0 HA CYS A 44 5.898 34.003 13.156 1.00 9.47 H new ATOM 0 HB2 CYS A 44 8.427 35.273 12.875 1.00 9.73 H new ATOM 0 HB3 CYS A 44 7.109 36.070 12.629 1.00 9.73 H new ATOM 0 HG CYS A 44 8.397 36.221 15.255 1.00 11.87 H new ATOM 330 N LEU A 45 7.707 33.652 10.540 1.00 8.40 N ATOM 331 CA LEU A 45 7.690 33.638 9.082 1.00 8.96 C ATOM 332 C LEU A 45 6.799 32.528 8.536 1.00 9.25 C ATOM 333 O LEU A 45 6.136 32.722 7.526 1.00 9.42 O ATOM 334 CB LEU A 45 9.111 33.527 8.514 1.00 8.99 C ATOM 335 CG LEU A 45 9.947 34.777 8.818 1.00 8.82 C ATOM 336 CD1 LEU A 45 11.424 34.480 8.615 1.00 9.54 C ATOM 337 CD2 LEU A 45 9.500 35.982 7.972 1.00 11.25 C ATOM 0 H LEU A 45 8.458 33.428 10.893 1.00 8.40 H new ATOM 0 HA LEU A 45 7.312 34.483 8.792 1.00 8.96 H new ATOM 0 HB2 LEU A 45 9.549 32.747 8.888 1.00 8.99 H new ATOM 0 HB3 LEU A 45 9.066 33.394 7.554 1.00 8.99 H new ATOM 0 HG LEU A 45 9.803 35.016 9.747 1.00 8.82 H new ATOM 0 HD11 LEU A 45 11.944 35.275 8.809 1.00 9.54 H new ATOM 0 HD12 LEU A 45 11.695 33.764 9.210 1.00 9.54 H new ATOM 0 HD13 LEU A 45 11.577 34.211 7.696 1.00 9.54 H new ATOM 0 HD21 LEU A 45 10.048 36.752 8.190 1.00 11.25 H new ATOM 0 HD22 LEU A 45 9.599 35.771 7.030 1.00 11.25 H new ATOM 0 HD23 LEU A 45 8.570 36.184 8.162 1.00 11.25 H new ATOM 338 N HIS A 46 6.773 31.373 9.201 1.00 9.42 N ATOM 339 CA HIS A 46 5.850 30.310 8.786 1.00 10.28 C ATOM 340 C HIS A 46 4.385 30.739 8.947 1.00 10.47 C ATOM 341 O HIS A 46 3.539 30.466 8.081 1.00 10.44 O ATOM 342 CB HIS A 46 6.115 29.005 9.549 1.00 10.42 C ATOM 343 CG HIS A 46 5.050 27.975 9.343 1.00 12.56 C ATOM 344 ND1 HIS A 46 4.837 27.363 8.127 1.00 13.40 N ATOM 345 CD2 HIS A 46 4.122 27.470 10.190 1.00 13.87 C ATOM 346 CE1 HIS A 46 3.826 26.516 8.236 1.00 15.42 C ATOM 347 NE2 HIS A 46 3.378 26.560 9.479 1.00 15.84 N ATOM 0 H HIS A 46 7.268 31.185 9.879 1.00 9.42 H new ATOM 0 HA HIS A 46 6.013 30.147 7.844 1.00 10.28 H new ATOM 0 HB2 HIS A 46 6.968 28.640 9.267 1.00 10.42 H new ATOM 0 HB3 HIS A 46 6.189 29.200 10.496 1.00 10.42 H new ATOM 0 HD1 HIS A 46 5.290 27.508 7.410 1.00 13.40 H new ATOM 0 HD2 HIS A 46 4.009 27.697 11.085 1.00 13.87 H new ATOM 0 HE1 HIS A 46 3.488 25.981 7.554 1.00 15.42 H new ATOM 348 N LYS A 47 4.081 31.408 10.054 1.00 10.54 N ATOM 349 CA LYS A 47 2.721 31.917 10.275 1.00 11.04 C ATOM 350 C LYS A 47 2.359 32.928 9.193 1.00 11.13 C ATOM 351 O LYS A 47 1.260 32.901 8.644 1.00 11.46 O ATOM 352 CB LYS A 47 2.604 32.562 11.655 1.00 11.33 C ATOM 353 CG LYS A 47 2.706 31.572 12.797 1.00 13.91 C ATOM 354 CD LYS A 47 2.722 32.271 14.151 1.00 18.04 C ATOM 355 CE LYS A 47 3.152 31.290 15.234 1.00 21.70 C ATOM 356 NZ LYS A 47 3.223 31.921 16.578 1.00 25.51 N ATOM 0 H LYS A 47 4.638 31.579 10.687 1.00 10.54 H new ATOM 0 HA LYS A 47 2.103 31.171 10.232 1.00 11.04 H new ATOM 0 HB2 LYS A 47 3.301 33.229 11.752 1.00 11.33 H new ATOM 0 HB3 LYS A 47 1.755 33.028 11.715 1.00 11.33 H new ATOM 0 HG2 LYS A 47 1.957 30.956 12.759 1.00 13.91 H new ATOM 0 HG3 LYS A 47 3.513 31.044 12.696 1.00 13.91 H new ATOM 0 HD2 LYS A 47 3.330 33.026 14.127 1.00 18.04 H new ATOM 0 HD3 LYS A 47 1.841 32.623 14.353 1.00 18.04 H new ATOM 0 HE2 LYS A 47 2.527 30.548 15.261 1.00 21.70 H new ATOM 0 HE3 LYS A 47 4.020 30.922 15.007 1.00 21.70 H new ATOM 0 HZ1 LYS A 47 3.173 31.291 17.205 1.00 25.51 H new ATOM 0 HZ2 LYS A 47 3.993 32.360 16.660 1.00 25.51 H new ATOM 0 HZ3 LYS A 47 2.546 32.490 16.675 1.00 25.51 H new ATOM 357 N THR A 48 3.309 33.805 8.874 1.00 10.34 N ATOM 358 CA THR A 48 3.084 34.908 7.941 1.00 10.49 C ATOM 359 C THR A 48 2.928 34.447 6.481 1.00 10.53 C ATOM 360 O THR A 48 2.068 34.953 5.757 1.00 10.96 O ATOM 361 CB THR A 48 4.213 35.957 8.063 1.00 10.08 C ATOM 362 OG1 THR A 48 4.219 36.491 9.395 1.00 10.86 O ATOM 363 CG2 THR A 48 4.020 37.118 7.068 1.00 10.07 C ATOM 0 H THR A 48 4.107 33.777 9.195 1.00 10.34 H new ATOM 0 HA THR A 48 2.239 35.313 8.191 1.00 10.49 H new ATOM 0 HB THR A 48 5.053 35.516 7.862 1.00 10.08 H new ATOM 0 HG1 THR A 48 4.586 35.943 9.915 1.00 10.86 H new ATOM 0 HG21 THR A 48 4.743 37.756 7.171 1.00 10.07 H new ATOM 0 HG22 THR A 48 4.021 36.772 6.162 1.00 10.07 H new ATOM 0 HG23 THR A 48 3.174 37.558 7.244 1.00 10.07 H new ATOM 364 N PHE A 49 3.745 33.480 6.072 1.00 10.76 N ATOM 365 CA PHE A 49 3.863 33.095 4.666 1.00 11.27 C ATOM 366 C PHE A 49 3.337 31.701 4.341 1.00 12.81 C ATOM 367 O PHE A 49 3.250 31.322 3.171 1.00 13.03 O ATOM 368 CB PHE A 49 5.323 33.185 4.237 1.00 11.11 C ATOM 369 CG PHE A 49 5.836 34.596 4.157 1.00 10.81 C ATOM 370 CD1 PHE A 49 5.267 35.504 3.259 1.00 11.28 C ATOM 371 CD2 PHE A 49 6.880 35.019 4.975 1.00 11.15 C ATOM 372 CE1 PHE A 49 5.738 36.811 3.180 1.00 12.51 C ATOM 373 CE2 PHE A 49 7.358 36.329 4.901 1.00 10.33 C ATOM 374 CZ PHE A 49 6.788 37.224 3.997 1.00 11.69 C ATOM 0 H PHE A 49 4.248 33.027 6.602 1.00 10.76 H new ATOM 0 HA PHE A 49 3.304 33.717 4.175 1.00 11.27 H new ATOM 0 HB2 PHE A 49 5.869 32.685 4.864 1.00 11.11 H new ATOM 0 HB3 PHE A 49 5.425 32.761 3.371 1.00 11.11 H new ATOM 0 HD1 PHE A 49 4.568 35.232 2.710 1.00 11.28 H new ATOM 0 HD2 PHE A 49 7.263 34.423 5.577 1.00 11.15 H new ATOM 0 HE1 PHE A 49 5.352 37.409 2.582 1.00 12.51 H new ATOM 0 HE2 PHE A 49 8.054 36.603 5.453 1.00 10.33 H new ATOM 0 HZ PHE A 49 7.108 38.095 3.939 1.00 11.69 H new ATOM 375 N GLY A 50 3.022 30.932 5.374 1.00 14.39 N ATOM 376 CA GLY A 50 2.515 29.567 5.179 1.00 16.31 C ATOM 377 C GLY A 50 1.043 29.564 4.830 1.00 17.95 C ATOM 378 O GLY A 50 0.459 30.621 4.554 1.00 17.31 O ATOM 0 H GLY A 50 3.092 31.174 6.196 1.00 14.39 H new ATOM 0 HA2 GLY A 50 3.017 29.133 4.472 1.00 16.31 H new ATOM 0 HA3 GLY A 50 2.658 29.050 5.987 1.00 16.31 H new ATOM 379 N PRO A 51 0.422 28.367 4.825 1.00 19.55 N ATOM 380 CA PRO A 51 -1.019 28.233 4.560 1.00 20.98 C ATOM 381 C PRO A 51 -1.865 29.262 5.310 1.00 21.27 C ATOM 382 O PRO A 51 -1.687 29.457 6.520 1.00 22.92 O ATOM 383 CB PRO A 51 -1.327 26.810 5.045 1.00 20.99 C ATOM 384 CG PRO A 51 -0.049 26.060 4.810 1.00 21.23 C ATOM 385 CD PRO A 51 1.071 27.057 5.047 1.00 20.21 C ATOM 0 HA PRO A 51 -1.232 28.387 3.626 1.00 20.98 H new ATOM 0 HB2 PRO A 51 -1.577 26.801 5.982 1.00 20.99 H new ATOM 0 HB3 PRO A 51 -2.064 26.418 4.551 1.00 20.99 H new ATOM 0 HG2 PRO A 51 0.026 25.304 5.413 1.00 21.23 H new ATOM 0 HG3 PRO A 51 -0.014 25.707 3.907 1.00 21.23 H new ATOM 0 HD2 PRO A 51 1.430 26.984 5.945 1.00 20.21 H new ATOM 0 HD3 PRO A 51 1.810 26.916 4.434 1.00 20.21 H new ATOM 386 N GLY A 52 -2.745 29.951 4.584 1.00 21.67 N ATOM 387 CA GLY A 52 -3.613 30.981 5.150 1.00 20.76 C ATOM 388 C GLY A 52 -2.983 32.360 5.289 1.00 20.15 C ATOM 389 O GLY A 52 -3.631 33.313 5.728 1.00 20.77 O ATOM 0 H GLY A 52 -2.855 29.831 3.740 1.00 21.67 H new ATOM 0 HA2 GLY A 52 -4.404 31.058 4.594 1.00 20.76 H new ATOM 0 HA3 GLY A 52 -3.910 30.688 6.026 1.00 20.76 H new ATOM 390 N GLY A 53 -1.711 32.473 4.922 1.00 19.02 N ATOM 391 CA GLY A 53 -0.981 33.717 5.124 1.00 16.88 C ATOM 392 C GLY A 53 -0.943 34.599 3.894 1.00 16.17 C ATOM 393 O GLY A 53 -1.847 34.558 3.050 1.00 15.36 O ATOM 0 H GLY A 53 -1.254 31.843 4.556 1.00 19.02 H new ATOM 0 HA2 GLY A 53 -1.389 34.209 5.854 1.00 16.88 H new ATOM 0 HA3 GLY A 53 -0.072 33.511 5.394 1.00 16.88 H new ATOM 394 N LEU A 54 0.114 35.401 3.792 1.00 14.49 N ATOM 395 CA LEU A 54 0.292 36.300 2.663 1.00 14.00 C ATOM 396 C LEU A 54 0.711 35.519 1.429 1.00 14.47 C ATOM 397 O LEU A 54 1.436 34.536 1.530 1.00 13.76 O ATOM 398 CB LEU A 54 1.372 37.343 2.965 1.00 13.60 C ATOM 399 CG LEU A 54 1.191 38.253 4.179 1.00 12.79 C ATOM 400 CD1 LEU A 54 2.375 39.211 4.259 1.00 13.41 C ATOM 401 CD2 LEU A 54 -0.140 39.006 4.124 1.00 13.09 C ATOM 0 H LEU A 54 0.745 35.437 4.375 1.00 14.49 H new ATOM 0 HA LEU A 54 -0.555 36.745 2.504 1.00 14.00 H new ATOM 0 HB2 LEU A 54 2.214 36.873 3.072 1.00 13.60 H new ATOM 0 HB3 LEU A 54 1.461 37.910 2.183 1.00 13.60 H new ATOM 0 HG LEU A 54 1.165 37.711 4.983 1.00 12.79 H new ATOM 0 HD11 LEU A 54 2.269 39.793 5.027 1.00 13.41 H new ATOM 0 HD12 LEU A 54 3.197 38.703 4.349 1.00 13.41 H new ATOM 0 HD13 LEU A 54 2.414 39.746 3.451 1.00 13.41 H new ATOM 0 HD21 LEU A 54 -0.224 39.573 4.907 1.00 13.09 H new ATOM 0 HD22 LEU A 54 -0.169 39.553 3.324 1.00 13.09 H new ATOM 0 HD23 LEU A 54 -0.872 38.369 4.107 1.00 13.09 H new ATOM 402 N GLN A 55 0.269 35.981 0.264 1.00 15.50 N ATOM 403 CA GLN A 55 0.765 35.428 -1.002 1.00 16.93 C ATOM 404 C GLN A 55 0.712 36.483 -2.085 1.00 16.28 C ATOM 405 O GLN A 55 -0.076 37.419 -2.008 1.00 15.78 O ATOM 406 CB GLN A 55 -0.005 34.175 -1.429 1.00 17.41 C ATOM 407 CG GLN A 55 -1.511 34.303 -1.418 1.00 20.28 C ATOM 408 CD GLN A 55 -2.202 32.978 -1.679 1.00 20.62 C ATOM 409 OE1 GLN A 55 -1.599 32.034 -2.206 1.00 26.74 O ATOM 410 NE2 GLN A 55 -3.475 32.898 -1.312 1.00 25.48 N ATOM 0 H GLN A 55 -0.313 36.609 0.180 1.00 15.50 H new ATOM 0 HA GLN A 55 1.686 35.159 -0.863 1.00 16.93 H new ATOM 0 HB2 GLN A 55 0.277 33.930 -2.324 1.00 17.41 H new ATOM 0 HB3 GLN A 55 0.246 33.444 -0.843 1.00 17.41 H new ATOM 0 HG2 GLN A 55 -1.798 34.652 -0.559 1.00 20.28 H new ATOM 0 HG3 GLN A 55 -1.784 34.946 -2.091 1.00 20.28 H new ATOM 0 HE21 GLN A 55 -3.861 33.575 -0.948 1.00 25.48 H new ATOM 0 HE22 GLN A 55 -3.914 32.169 -1.438 1.00 25.48 H new ATOM 411 N GLY A 56 1.554 36.325 -3.093 1.00 15.98 N ATOM 412 CA GLY A 56 1.632 37.320 -4.156 1.00 15.77 C ATOM 413 C GLY A 56 2.675 36.958 -5.176 1.00 15.43 C ATOM 414 O GLY A 56 3.177 35.825 -5.206 1.00 16.46 O ATOM 0 H GLY A 56 2.086 35.656 -3.183 1.00 15.98 H new ATOM 0 HA2 GLY A 56 0.768 37.400 -4.590 1.00 15.77 H new ATOM 0 HA3 GLY A 56 1.839 38.187 -3.774 1.00 15.77 H new ATOM 415 N ASP A 57 2.993 37.917 -6.030 1.00 14.81 N ATOM 416 CA ASP A 57 3.899 37.666 -7.139 1.00 14.75 C ATOM 417 C ASP A 57 5.321 38.026 -6.778 1.00 13.48 C ATOM 418 O ASP A 57 6.248 37.269 -7.063 1.00 14.42 O ATOM 419 CB ASP A 57 3.454 38.435 -8.390 1.00 15.83 C ATOM 420 CG ASP A 57 2.144 37.900 -8.978 1.00 19.50 C ATOM 421 OD1 ASP A 57 1.803 36.715 -8.746 1.00 24.14 O ATOM 422 OD2 ASP A 57 1.464 38.666 -9.694 1.00 25.74 O ATOM 0 H ASP A 57 2.695 38.722 -5.986 1.00 14.81 H new ATOM 0 HA ASP A 57 3.870 36.716 -7.333 1.00 14.75 H new ATOM 0 HB2 ASP A 57 3.345 39.373 -8.167 1.00 15.83 H new ATOM 0 HB3 ASP A 57 4.151 38.383 -9.062 1.00 15.83 H new ATOM 423 N THR A 58 5.501 39.185 -6.153 1.00 11.99 N ATOM 424 CA THR A 58 6.850 39.687 -5.911 1.00 10.62 C ATOM 425 C THR A 58 7.093 40.052 -4.464 1.00 10.21 C ATOM 426 O THR A 58 6.232 40.661 -3.800 1.00 8.96 O ATOM 427 CB THR A 58 7.176 40.902 -6.799 1.00 10.84 C ATOM 428 OG1 THR A 58 6.146 41.892 -6.647 1.00 11.69 O ATOM 429 CG2 THR A 58 7.277 40.495 -8.263 1.00 11.47 C ATOM 0 H THR A 58 4.867 39.689 -5.865 1.00 11.99 H new ATOM 0 HA THR A 58 7.440 38.952 -6.141 1.00 10.62 H new ATOM 0 HB THR A 58 8.031 41.266 -6.522 1.00 10.84 H new ATOM 0 HG1 THR A 58 5.740 41.988 -7.376 1.00 11.69 H new ATOM 0 HG21 THR A 58 7.483 41.275 -8.802 1.00 11.47 H new ATOM 0 HG22 THR A 58 7.980 39.835 -8.368 1.00 11.47 H new ATOM 0 HG23 THR A 58 6.433 40.116 -8.553 1.00 11.47 H new ATOM 430 N LEU A 59 8.273 39.665 -3.982 1.00 9.48 N ATOM 431 CA LEU A 59 8.709 40.005 -2.638 1.00 8.79 C ATOM 432 C LEU A 59 10.127 40.571 -2.728 1.00 8.19 C ATOM 433 O LEU A 59 10.956 40.065 -3.483 1.00 7.88 O ATOM 434 CB LEU A 59 8.679 38.759 -1.727 1.00 8.61 C ATOM 435 CG LEU A 59 9.120 38.915 -0.274 1.00 8.77 C ATOM 436 CD1 LEU A 59 8.330 37.966 0.628 1.00 9.80 C ATOM 437 CD2 LEU A 59 10.635 38.679 -0.141 1.00 9.28 C ATOM 0 H LEU A 59 8.840 39.198 -4.428 1.00 9.48 H new ATOM 0 HA LEU A 59 8.112 40.664 -2.251 1.00 8.79 H new ATOM 0 HB2 LEU A 59 7.772 38.415 -1.726 1.00 8.61 H new ATOM 0 HB3 LEU A 59 9.239 38.080 -2.135 1.00 8.61 H new ATOM 0 HG LEU A 59 8.935 39.823 0.012 1.00 8.77 H new ATOM 0 HD11 LEU A 59 8.620 38.076 1.547 1.00 9.80 H new ATOM 0 HD12 LEU A 59 7.384 38.169 0.562 1.00 9.80 H new ATOM 0 HD13 LEU A 59 8.484 37.050 0.348 1.00 9.80 H new ATOM 0 HD21 LEU A 59 10.898 38.782 0.787 1.00 9.28 H new ATOM 0 HD22 LEU A 59 10.850 37.782 -0.440 1.00 9.28 H new ATOM 0 HD23 LEU A 59 11.112 39.324 -0.685 1.00 9.28 H new ATOM 438 N ILE A 60 10.393 41.609 -1.939 1.00 7.79 N ATOM 439 CA ILE A 60 11.719 42.220 -1.887 1.00 8.29 C ATOM 440 C ILE A 60 12.213 42.183 -0.455 1.00 8.33 C ATOM 441 O ILE A 60 11.604 42.795 0.421 1.00 9.09 O ATOM 442 CB ILE A 60 11.694 43.698 -2.353 1.00 7.73 C ATOM 443 CG1 ILE A 60 11.227 43.796 -3.812 1.00 9.20 C ATOM 444 CG2 ILE A 60 13.098 44.336 -2.154 1.00 9.50 C ATOM 445 CD1 ILE A 60 10.925 45.226 -4.268 1.00 8.03 C ATOM 0 H ILE A 60 9.813 41.977 -1.421 1.00 7.79 H new ATOM 0 HA ILE A 60 12.302 41.722 -2.481 1.00 8.29 H new ATOM 0 HB ILE A 60 11.058 44.194 -1.813 1.00 7.73 H new ATOM 0 HG12 ILE A 60 11.911 43.419 -4.388 1.00 9.20 H new ATOM 0 HG13 ILE A 60 10.430 43.254 -3.925 1.00 9.20 H new ATOM 0 HG21 ILE A 60 13.078 45.261 -2.447 1.00 9.50 H new ATOM 0 HG22 ILE A 60 13.340 44.300 -1.215 1.00 9.50 H new ATOM 0 HG23 ILE A 60 13.753 43.846 -2.676 1.00 9.50 H new ATOM 0 HD11 ILE A 60 10.637 45.216 -5.194 1.00 8.03 H new ATOM 0 HD12 ILE A 60 10.222 45.601 -3.715 1.00 8.03 H new ATOM 0 HD13 ILE A 60 11.725 45.768 -4.185 1.00 8.03 H new ATOM 446 N ASP A 61 13.313 41.468 -0.218 1.00 8.34 N ATOM 447 CA ASP A 61 13.947 41.445 1.101 1.00 8.65 C ATOM 448 C ASP A 61 14.993 42.561 1.134 1.00 8.80 C ATOM 449 O ASP A 61 15.836 42.665 0.236 1.00 9.24 O ATOM 450 CB ASP A 61 14.583 40.071 1.366 1.00 8.59 C ATOM 451 CG ASP A 61 15.134 39.922 2.778 1.00 9.54 C ATOM 452 OD1 ASP A 61 14.491 40.374 3.757 1.00 9.55 O ATOM 453 OD2 ASP A 61 16.214 39.304 2.903 1.00 9.13 O ATOM 0 H ASP A 61 13.709 40.987 -0.811 1.00 8.34 H new ATOM 0 HA ASP A 61 13.291 41.592 1.800 1.00 8.65 H new ATOM 0 HB2 ASP A 61 13.921 39.380 1.210 1.00 8.59 H new ATOM 0 HB3 ASP A 61 15.300 39.926 0.729 1.00 8.59 H new ATOM 454 N ILE A 62 14.920 43.382 2.179 1.00 8.53 N ATOM 455 CA ILE A 62 15.776 44.551 2.335 1.00 8.10 C ATOM 456 C ILE A 62 16.706 44.318 3.520 1.00 7.91 C ATOM 457 O ILE A 62 16.251 43.965 4.620 1.00 7.71 O ATOM 458 CB ILE A 62 14.919 45.835 2.567 1.00 7.71 C ATOM 459 CG1 ILE A 62 14.066 46.153 1.321 1.00 8.58 C ATOM 460 CG2 ILE A 62 15.799 47.043 2.986 1.00 7.92 C ATOM 461 CD1 ILE A 62 14.847 46.737 0.140 1.00 9.55 C ATOM 0 H ILE A 62 14.363 43.273 2.825 1.00 8.53 H new ATOM 0 HA ILE A 62 16.296 44.682 1.526 1.00 8.10 H new ATOM 0 HB ILE A 62 14.314 45.661 3.305 1.00 7.71 H new ATOM 0 HG12 ILE A 62 13.625 45.339 1.030 1.00 8.58 H new ATOM 0 HG13 ILE A 62 13.369 46.779 1.573 1.00 8.58 H new ATOM 0 HG21 ILE A 62 15.237 47.822 3.122 1.00 7.92 H new ATOM 0 HG22 ILE A 62 16.265 46.834 3.811 1.00 7.92 H new ATOM 0 HG23 ILE A 62 16.446 47.230 2.288 1.00 7.92 H new ATOM 0 HD11 ILE A 62 14.240 46.907 -0.597 1.00 9.55 H new ATOM 0 HD12 ILE A 62 15.268 47.568 0.410 1.00 9.55 H new ATOM 0 HD13 ILE A 62 15.528 46.106 -0.141 1.00 9.55 H new ATOM 462 N GLY A 63 18.008 44.512 3.291 1.00 7.47 N ATOM 463 CA GLY A 63 19.007 44.285 4.344 1.00 7.67 C ATOM 464 C GLY A 63 19.140 42.801 4.671 1.00 7.66 C ATOM 465 O GLY A 63 19.213 42.405 5.842 1.00 7.49 O ATOM 0 H GLY A 63 18.333 44.773 2.539 1.00 7.47 H new ATOM 0 HA2 GLY A 63 19.866 44.634 4.058 1.00 7.67 H new ATOM 0 HA3 GLY A 63 18.754 44.773 5.143 1.00 7.67 H new ATOM 466 N SER A 64 19.164 41.993 3.618 1.00 7.76 N ATOM 467 CA SER A 64 19.268 40.538 3.714 1.00 8.07 C ATOM 468 C SER A 64 20.491 40.043 4.501 1.00 8.50 C ATOM 469 O SER A 64 20.494 38.916 5.001 1.00 8.25 O ATOM 470 CB SER A 64 19.311 39.913 2.301 1.00 7.91 C ATOM 471 OG SER A 64 18.202 40.305 1.500 1.00 7.88 O ATOM 0 H SER A 64 19.119 42.280 2.808 1.00 7.76 H new ATOM 0 HA SER A 64 18.479 40.256 4.204 1.00 8.07 H new ATOM 0 HB2 SER A 64 20.134 40.175 1.859 1.00 7.91 H new ATOM 0 HB3 SER A 64 19.325 38.946 2.378 1.00 7.91 H new ATOM 0 HG SER A 64 17.494 39.999 1.833 1.00 7.88 H new ATOM 472 N GLY A 65 21.543 40.862 4.553 1.00 8.97 N ATOM 473 CA GLY A 65 22.832 40.417 5.077 1.00 9.09 C ATOM 474 C GLY A 65 23.298 39.216 4.274 1.00 8.94 C ATOM 475 O GLY A 65 22.956 39.089 3.096 1.00 9.39 O ATOM 0 H GLY A 65 21.529 41.680 4.289 1.00 8.97 H new ATOM 0 HA2 GLY A 65 23.484 41.133 5.019 1.00 9.09 H new ATOM 0 HA3 GLY A 65 22.751 40.183 6.015 1.00 9.09 H new ATOM 476 N PRO A 66 24.097 38.334 4.897 1.00 9.22 N ATOM 477 CA PRO A 66 24.504 37.096 4.251 1.00 9.28 C ATOM 478 C PRO A 66 23.560 35.911 4.524 1.00 9.79 C ATOM 479 O PRO A 66 23.970 34.751 4.378 1.00 10.03 O ATOM 480 CB PRO A 66 25.877 36.837 4.885 1.00 9.32 C ATOM 481 CG PRO A 66 25.705 37.302 6.297 1.00 9.55 C ATOM 482 CD PRO A 66 24.722 38.488 6.228 1.00 9.27 C ATOM 0 HA PRO A 66 24.502 37.178 3.284 1.00 9.28 H new ATOM 0 HB2 PRO A 66 26.117 35.898 4.845 1.00 9.32 H new ATOM 0 HB3 PRO A 66 26.579 37.329 4.430 1.00 9.32 H new ATOM 0 HG2 PRO A 66 25.356 36.592 6.858 1.00 9.55 H new ATOM 0 HG3 PRO A 66 26.554 37.574 6.680 1.00 9.55 H new ATOM 0 HD2 PRO A 66 24.064 38.449 6.939 1.00 9.27 H new ATOM 0 HD3 PRO A 66 25.181 39.339 6.312 1.00 9.27 H new ATOM 483 N THR A 67 22.307 36.196 4.901 1.00 9.33 N ATOM 484 CA THR A 67 21.411 35.142 5.382 1.00 9.33 C ATOM 485 C THR A 67 20.262 34.863 4.405 1.00 9.29 C ATOM 486 O THR A 67 19.811 35.761 3.675 1.00 9.34 O ATOM 487 CB THR A 67 20.830 35.448 6.808 1.00 9.82 C ATOM 488 OG1 THR A 67 19.874 36.509 6.735 1.00 9.77 O ATOM 489 CG2 THR A 67 21.943 35.855 7.804 1.00 10.17 C ATOM 0 H THR A 67 21.962 36.984 4.886 1.00 9.33 H new ATOM 0 HA THR A 67 21.962 34.346 5.444 1.00 9.33 H new ATOM 0 HB THR A 67 20.408 34.635 7.125 1.00 9.82 H new ATOM 0 HG1 THR A 67 19.129 36.200 6.500 1.00 9.77 H new ATOM 0 HG21 THR A 67 21.550 36.036 8.672 1.00 10.17 H new ATOM 0 HG22 THR A 67 22.585 35.133 7.885 1.00 10.17 H new ATOM 0 HG23 THR A 67 22.392 36.651 7.480 1.00 10.17 H new ATOM 490 N ILE A 68 19.802 33.616 4.405 1.00 8.54 N ATOM 491 CA ILE A 68 18.687 33.205 3.540 1.00 8.40 C ATOM 492 C ILE A 68 17.500 32.612 4.311 1.00 8.35 C ATOM 493 O ILE A 68 16.466 32.301 3.698 1.00 8.52 O ATOM 494 CB ILE A 68 19.144 32.274 2.353 1.00 8.79 C ATOM 495 CG1 ILE A 68 19.780 30.970 2.855 1.00 9.14 C ATOM 496 CG2 ILE A 68 20.114 33.037 1.435 1.00 7.90 C ATOM 497 CD1 ILE A 68 18.798 29.932 3.413 1.00 10.51 C ATOM 0 H ILE A 68 20.119 32.987 4.898 1.00 8.54 H new ATOM 0 HA ILE A 68 18.363 34.028 3.141 1.00 8.40 H new ATOM 0 HB ILE A 68 18.354 32.026 1.848 1.00 8.79 H new ATOM 0 HG12 ILE A 68 20.273 30.566 2.124 1.00 9.14 H new ATOM 0 HG13 ILE A 68 20.425 31.187 3.546 1.00 9.14 H new ATOM 0 HG21 ILE A 68 20.392 32.460 0.707 1.00 7.90 H new ATOM 0 HG22 ILE A 68 19.670 33.821 1.075 1.00 7.90 H new ATOM 0 HG23 ILE A 68 20.892 33.312 1.944 1.00 7.90 H new ATOM 0 HD11 ILE A 68 19.288 29.147 3.704 1.00 10.51 H new ATOM 0 HD12 ILE A 68 18.319 30.312 4.166 1.00 10.51 H new ATOM 0 HD13 ILE A 68 18.165 29.680 2.722 1.00 10.51 H new ATOM 498 N TYR A 69 17.642 32.464 5.636 1.00 7.98 N ATOM 499 CA TYR A 69 16.601 31.804 6.453 1.00 8.24 C ATOM 500 C TYR A 69 15.275 32.566 6.350 1.00 8.02 C ATOM 501 O TYR A 69 14.196 31.963 6.426 1.00 8.17 O ATOM 502 CB TYR A 69 17.016 31.666 7.936 1.00 8.03 C ATOM 503 CG TYR A 69 16.966 32.985 8.679 1.00 9.52 C ATOM 504 CD1 TYR A 69 15.784 33.414 9.298 1.00 10.43 C ATOM 505 CD2 TYR A 69 18.074 33.842 8.695 1.00 9.73 C ATOM 506 CE1 TYR A 69 15.713 34.657 9.939 1.00 9.24 C ATOM 507 CE2 TYR A 69 18.021 35.079 9.337 1.00 8.79 C ATOM 508 CZ TYR A 69 16.834 35.482 9.954 1.00 8.06 C ATOM 509 OH TYR A 69 16.752 36.704 10.588 1.00 9.05 O ATOM 0 H TYR A 69 18.326 32.735 6.081 1.00 7.98 H new ATOM 0 HA TYR A 69 16.489 30.909 6.097 1.00 8.24 H new ATOM 0 HB2 TYR A 69 16.430 31.029 8.374 1.00 8.03 H new ATOM 0 HB3 TYR A 69 17.915 31.305 7.985 1.00 8.03 H new ATOM 0 HD1 TYR A 69 15.034 32.864 9.283 1.00 10.43 H new ATOM 0 HD2 TYR A 69 18.859 33.581 8.270 1.00 9.73 H new ATOM 0 HE1 TYR A 69 14.925 34.929 10.351 1.00 9.24 H new ATOM 0 HE2 TYR A 69 18.769 35.631 9.354 1.00 8.79 H new ATOM 0 HH TYR A 69 17.101 37.295 10.104 1.00 9.05 H new ATOM 510 N GLN A 70 15.368 33.886 6.165 1.00 7.91 N ATOM 511 CA GLN A 70 14.185 34.759 6.221 1.00 7.93 C ATOM 512 C GLN A 70 13.203 34.572 5.062 1.00 8.00 C ATOM 513 O GLN A 70 12.085 35.095 5.122 1.00 8.74 O ATOM 514 CB GLN A 70 14.584 36.242 6.341 1.00 8.19 C ATOM 515 CG GLN A 70 15.358 36.815 5.135 1.00 7.89 C ATOM 516 CD GLN A 70 16.874 36.708 5.289 1.00 10.00 C ATOM 517 OE1 GLN A 70 17.397 35.747 5.863 1.00 10.43 O ATOM 518 NE2 GLN A 70 17.590 37.701 4.755 1.00 10.66 N ATOM 0 H GLN A 70 16.106 34.298 6.006 1.00 7.91 H new ATOM 0 HA GLN A 70 13.714 34.483 7.023 1.00 7.93 H new ATOM 0 HB2 GLN A 70 13.780 36.769 6.471 1.00 8.19 H new ATOM 0 HB3 GLN A 70 15.127 36.352 7.137 1.00 8.19 H new ATOM 0 HG2 GLN A 70 15.086 36.346 4.331 1.00 7.89 H new ATOM 0 HG3 GLN A 70 15.116 37.747 5.015 1.00 7.89 H new ATOM 0 HE21 GLN A 70 17.193 38.355 4.362 1.00 10.66 H new ATOM 0 HE22 GLN A 70 18.448 37.687 4.804 1.00 10.66 H new ATOM 519 N VAL A 71 13.615 33.847 4.015 1.00 8.03 N ATOM 520 CA VAL A 71 12.751 33.632 2.854 1.00 8.23 C ATOM 521 C VAL A 71 12.389 32.157 2.616 1.00 8.80 C ATOM 522 O VAL A 71 11.815 31.818 1.582 1.00 7.95 O ATOM 523 CB VAL A 71 13.312 34.299 1.549 1.00 7.96 C ATOM 524 CG1 VAL A 71 12.944 35.768 1.521 1.00 8.65 C ATOM 525 CG2 VAL A 71 14.845 34.100 1.412 1.00 8.88 C ATOM 0 H VAL A 71 14.388 33.474 3.960 1.00 8.03 H new ATOM 0 HA VAL A 71 11.922 34.083 3.078 1.00 8.23 H new ATOM 0 HB VAL A 71 12.904 33.860 0.786 1.00 7.96 H new ATOM 0 HG11 VAL A 71 13.294 36.174 0.712 1.00 8.65 H new ATOM 0 HG12 VAL A 71 11.979 35.860 1.537 1.00 8.65 H new ATOM 0 HG13 VAL A 71 13.324 36.212 2.295 1.00 8.65 H new ATOM 0 HG21 VAL A 71 15.155 34.524 0.597 1.00 8.88 H new ATOM 0 HG22 VAL A 71 15.293 34.499 2.174 1.00 8.88 H new ATOM 0 HG23 VAL A 71 15.047 33.152 1.380 1.00 8.88 H new ATOM 526 N LEU A 72 12.702 31.293 3.589 1.00 8.92 N ATOM 527 CA LEU A 72 12.410 29.865 3.448 1.00 9.12 C ATOM 528 C LEU A 72 10.904 29.619 3.391 1.00 9.65 C ATOM 529 O LEU A 72 10.440 28.812 2.584 1.00 10.85 O ATOM 530 CB LEU A 72 13.056 29.051 4.580 1.00 9.25 C ATOM 531 CG LEU A 72 14.591 28.911 4.509 1.00 8.96 C ATOM 532 CD1 LEU A 72 15.164 28.460 5.842 1.00 8.98 C ATOM 533 CD2 LEU A 72 15.001 27.949 3.396 1.00 11.52 C ATOM 0 H LEU A 72 13.080 31.512 4.330 1.00 8.92 H new ATOM 0 HA LEU A 72 12.796 29.565 2.610 1.00 9.12 H new ATOM 0 HB2 LEU A 72 12.824 29.464 5.427 1.00 9.25 H new ATOM 0 HB3 LEU A 72 12.666 28.163 4.581 1.00 9.25 H new ATOM 0 HG LEU A 72 14.957 29.786 4.305 1.00 8.96 H new ATOM 0 HD11 LEU A 72 16.128 28.380 5.770 1.00 8.98 H new ATOM 0 HD12 LEU A 72 14.944 29.112 6.526 1.00 8.98 H new ATOM 0 HD13 LEU A 72 14.786 27.600 6.083 1.00 8.98 H new ATOM 0 HD21 LEU A 72 15.968 27.877 3.370 1.00 11.52 H new ATOM 0 HD22 LEU A 72 14.616 27.075 3.566 1.00 11.52 H new ATOM 0 HD23 LEU A 72 14.679 28.283 2.544 1.00 11.52 H new ATOM 534 N ALA A 73 10.139 30.305 4.234 1.00 8.68 N ATOM 535 CA ALA A 73 8.674 30.160 4.199 1.00 9.14 C ATOM 536 C ALA A 73 8.131 30.925 2.996 1.00 9.02 C ATOM 537 O ALA A 73 7.211 30.473 2.317 1.00 9.26 O ATOM 538 CB ALA A 73 8.046 30.692 5.497 1.00 9.25 C ATOM 0 H ALA A 73 10.436 30.853 4.827 1.00 8.68 H new ATOM 0 HA ALA A 73 8.445 29.221 4.120 1.00 9.14 H new ATOM 0 HB1 ALA A 73 7.082 30.589 5.456 1.00 9.25 H new ATOM 0 HB2 ALA A 73 8.393 30.193 6.253 1.00 9.25 H new ATOM 0 HB3 ALA A 73 8.266 31.631 5.602 1.00 9.25 H new ATOM 539 N ALA A 74 8.722 32.091 2.753 1.00 8.66 N ATOM 540 CA ALA A 74 8.243 33.020 1.722 1.00 9.11 C ATOM 541 C ALA A 74 8.226 32.411 0.317 1.00 9.20 C ATOM 542 O ALA A 74 7.332 32.731 -0.478 1.00 9.78 O ATOM 543 CB ALA A 74 9.090 34.282 1.731 1.00 8.49 C ATOM 0 H ALA A 74 9.414 32.370 3.180 1.00 8.66 H new ATOM 0 HA ALA A 74 7.322 33.231 1.943 1.00 9.11 H new ATOM 0 HB1 ALA A 74 8.769 34.892 1.048 1.00 8.49 H new ATOM 0 HB2 ALA A 74 9.027 34.708 2.600 1.00 8.49 H new ATOM 0 HB3 ALA A 74 10.015 34.052 1.550 1.00 8.49 H new ATOM 544 N CYS A 75 9.188 31.533 0.010 1.00 9.59 N ATOM 545 CA CYS A 75 9.311 31.009 -1.367 1.00 10.52 C ATOM 546 C CYS A 75 8.145 30.112 -1.778 1.00 10.84 C ATOM 547 O CYS A 75 7.978 29.812 -2.958 1.00 11.23 O ATOM 548 CB CYS A 75 10.648 30.282 -1.582 1.00 10.54 C ATOM 549 SG CYS A 75 10.767 28.664 -0.816 1.00 11.82 S ATOM 0 H CYS A 75 9.769 31.231 0.567 1.00 9.59 H new ATOM 0 HA CYS A 75 9.285 31.788 -1.944 1.00 10.52 H new ATOM 0 HB2 CYS A 75 10.798 30.185 -2.535 1.00 10.54 H new ATOM 0 HB3 CYS A 75 11.363 30.840 -1.238 1.00 10.54 H new ATOM 0 HG CYS A 75 10.648 28.774 0.373 1.00 11.82 H new ATOM 550 N ASP A 76 7.344 29.689 -0.809 1.00 11.27 N ATOM 551 CA ASP A 76 6.127 28.919 -1.109 1.00 11.87 C ATOM 552 C ASP A 76 4.983 29.800 -1.596 1.00 12.56 C ATOM 553 O ASP A 76 4.029 29.308 -2.216 1.00 12.78 O ATOM 554 CB ASP A 76 5.660 28.169 0.135 1.00 12.00 C ATOM 555 CG ASP A 76 6.506 26.953 0.447 1.00 13.39 C ATOM 556 OD1 ASP A 76 7.111 26.368 -0.474 1.00 14.62 O ATOM 557 OD2 ASP A 76 6.542 26.578 1.632 1.00 15.74 O ATOM 0 H ASP A 76 7.480 29.833 0.028 1.00 11.27 H new ATOM 0 HA ASP A 76 6.360 28.300 -1.819 1.00 11.87 H new ATOM 0 HB2 ASP A 76 5.677 28.772 0.895 1.00 12.00 H new ATOM 0 HB3 ASP A 76 4.738 27.892 0.013 1.00 12.00 H new ATOM 558 N SER A 77 5.054 31.092 -1.290 1.00 12.01 N ATOM 559 CA SER A 77 3.906 31.978 -1.511 1.00 12.98 C ATOM 560 C SER A 77 4.213 33.203 -2.386 1.00 12.79 C ATOM 561 O SER A 77 3.291 33.930 -2.783 1.00 12.59 O ATOM 562 CB SER A 77 3.270 32.385 -0.165 1.00 12.91 C ATOM 563 OG SER A 77 4.231 32.915 0.727 1.00 16.52 O ATOM 0 H SER A 77 5.748 31.476 -0.957 1.00 12.01 H new ATOM 0 HA SER A 77 3.263 31.463 -2.022 1.00 12.98 H new ATOM 0 HB2 SER A 77 2.575 33.043 -0.321 1.00 12.91 H new ATOM 0 HB3 SER A 77 2.844 31.613 0.239 1.00 12.91 H new ATOM 0 HG SER A 77 4.119 32.582 1.490 1.00 16.52 H new ATOM 564 N PHE A 78 5.497 33.413 -2.681 1.00 12.24 N ATOM 565 CA PHE A 78 5.953 34.485 -3.570 1.00 13.28 C ATOM 566 C PHE A 78 6.985 33.924 -4.542 1.00 14.63 C ATOM 567 O PHE A 78 8.084 33.534 -4.121 1.00 15.58 O ATOM 568 CB PHE A 78 6.561 35.634 -2.754 1.00 12.71 C ATOM 569 CG PHE A 78 5.547 36.398 -1.948 1.00 13.08 C ATOM 570 CD1 PHE A 78 5.013 37.589 -2.434 1.00 12.75 C ATOM 571 CD2 PHE A 78 5.121 35.928 -0.704 1.00 12.18 C ATOM 572 CE1 PHE A 78 4.070 38.300 -1.701 1.00 12.37 C ATOM 573 CE2 PHE A 78 4.168 36.638 0.040 1.00 12.83 C ATOM 574 CZ PHE A 78 3.645 37.826 -0.462 1.00 12.83 C ATOM 0 H PHE A 78 6.136 32.931 -2.367 1.00 12.24 H new ATOM 0 HA PHE A 78 5.197 34.833 -4.067 1.00 13.28 H new ATOM 0 HB2 PHE A 78 7.235 35.275 -2.156 1.00 12.71 H new ATOM 0 HB3 PHE A 78 7.012 36.246 -3.356 1.00 12.71 H new ATOM 0 HD1 PHE A 78 5.291 37.913 -3.260 1.00 12.75 H new ATOM 0 HD2 PHE A 78 5.473 35.136 -0.366 1.00 12.18 H new ATOM 0 HE1 PHE A 78 3.722 39.094 -2.038 1.00 12.37 H new ATOM 0 HE2 PHE A 78 3.886 36.316 0.866 1.00 12.83 H new ATOM 0 HZ PHE A 78 3.014 38.302 0.028 1.00 12.83 H new ATOM 575 N GLN A 79 6.638 33.907 -5.830 1.00 15.21 N ATOM 576 CA GLN A 79 7.464 33.226 -6.846 1.00 15.92 C ATOM 577 C GLN A 79 8.690 34.013 -7.300 1.00 14.32 C ATOM 578 O GLN A 79 9.662 33.414 -7.777 1.00 14.76 O ATOM 579 CB GLN A 79 6.626 32.832 -8.065 1.00 17.11 C ATOM 580 CG GLN A 79 5.839 33.973 -8.708 1.00 21.81 C ATOM 581 CD GLN A 79 6.643 34.790 -9.726 1.00 27.77 C ATOM 582 OE1 GLN A 79 7.582 34.282 -10.367 1.00 30.37 O ATOM 583 NE2 GLN A 79 6.267 36.062 -9.887 1.00 28.46 N ATOM 0 H GLN A 79 5.929 34.282 -6.141 1.00 15.21 H new ATOM 0 HA GLN A 79 7.799 32.433 -6.399 1.00 15.92 H new ATOM 0 HB2 GLN A 79 7.214 32.447 -8.733 1.00 17.11 H new ATOM 0 HB3 GLN A 79 6.003 32.137 -7.801 1.00 17.11 H new ATOM 0 HG2 GLN A 79 5.056 33.606 -9.148 1.00 21.81 H new ATOM 0 HG3 GLN A 79 5.520 34.567 -8.010 1.00 21.81 H new ATOM 0 HE21 GLN A 79 5.613 36.379 -9.426 1.00 28.46 H new ATOM 0 HE22 GLN A 79 6.679 36.564 -10.451 1.00 28.46 H new ATOM 584 N ASP A 80 8.640 35.339 -7.152 1.00 12.44 N ATOM 585 CA ASP A 80 9.764 36.208 -7.526 1.00 11.01 C ATOM 586 C ASP A 80 10.278 36.923 -6.271 1.00 10.32 C ATOM 587 O ASP A 80 9.610 37.806 -5.721 1.00 9.80 O ATOM 588 CB ASP A 80 9.348 37.206 -8.636 1.00 11.10 C ATOM 589 CG ASP A 80 10.489 38.162 -9.063 1.00 11.20 C ATOM 590 OD1 ASP A 80 11.289 38.582 -8.215 1.00 11.23 O ATOM 591 OD2 ASP A 80 10.562 38.531 -10.266 1.00 13.01 O ATOM 0 H ASP A 80 7.960 35.759 -6.835 1.00 12.44 H new ATOM 0 HA ASP A 80 10.484 35.673 -7.894 1.00 11.01 H new ATOM 0 HB2 ASP A 80 9.045 36.709 -9.412 1.00 11.10 H new ATOM 0 HB3 ASP A 80 8.595 37.731 -8.324 1.00 11.10 H new ATOM 592 N ILE A 81 11.461 36.508 -5.823 1.00 9.97 N ATOM 593 CA ILE A 81 12.095 37.090 -4.643 1.00 9.36 C ATOM 594 C ILE A 81 13.369 37.851 -5.015 1.00 9.69 C ATOM 595 O ILE A 81 14.213 37.349 -5.765 1.00 9.38 O ATOM 596 CB ILE A 81 12.409 36.008 -3.570 1.00 8.94 C ATOM 597 CG1 ILE A 81 11.100 35.404 -3.019 1.00 8.59 C ATOM 598 CG2 ILE A 81 13.296 36.590 -2.443 1.00 9.27 C ATOM 599 CD1 ILE A 81 11.308 34.160 -2.130 1.00 9.91 C ATOM 0 H ILE A 81 11.918 35.881 -6.195 1.00 9.97 H new ATOM 0 HA ILE A 81 11.462 37.719 -4.262 1.00 9.36 H new ATOM 0 HB ILE A 81 12.912 35.291 -3.987 1.00 8.94 H new ATOM 0 HG12 ILE A 81 10.633 36.082 -2.506 1.00 8.59 H new ATOM 0 HG13 ILE A 81 10.526 35.166 -3.764 1.00 8.59 H new ATOM 0 HG21 ILE A 81 13.479 35.900 -1.786 1.00 9.27 H new ATOM 0 HG22 ILE A 81 14.132 36.907 -2.820 1.00 9.27 H new ATOM 0 HG23 ILE A 81 12.834 37.328 -2.016 1.00 9.27 H new ATOM 0 HD11 ILE A 81 10.448 33.836 -1.821 1.00 9.91 H new ATOM 0 HD12 ILE A 81 11.750 33.465 -2.643 1.00 9.91 H new ATOM 0 HD13 ILE A 81 11.858 34.396 -1.366 1.00 9.91 H new ATOM 600 N THR A 82 13.488 39.065 -4.483 1.00 9.00 N ATOM 601 CA THR A 82 14.707 39.864 -4.574 1.00 9.12 C ATOM 602 C THR A 82 15.376 39.876 -3.203 1.00 9.01 C ATOM 603 O THR A 82 14.703 40.103 -2.197 1.00 8.87 O ATOM 604 CB THR A 82 14.346 41.338 -4.963 1.00 9.05 C ATOM 605 OG1 THR A 82 13.776 41.354 -6.275 1.00 11.10 O ATOM 606 CG2 THR A 82 15.593 42.260 -4.915 1.00 9.68 C ATOM 0 H THR A 82 12.853 39.453 -4.052 1.00 9.00 H new ATOM 0 HA THR A 82 15.297 39.486 -5.245 1.00 9.12 H new ATOM 0 HB THR A 82 13.704 41.677 -4.319 1.00 9.05 H new ATOM 0 HG1 THR A 82 12.983 41.078 -6.240 1.00 11.10 H new ATOM 0 HG21 THR A 82 15.338 43.163 -5.160 1.00 9.68 H new ATOM 0 HG22 THR A 82 15.961 42.261 -4.017 1.00 9.68 H new ATOM 0 HG23 THR A 82 16.261 41.933 -5.537 1.00 9.68 H new ATOM 607 N LEU A 83 16.690 39.625 -3.157 1.00 8.42 N ATOM 608 CA LEU A 83 17.450 39.846 -1.926 1.00 8.68 C ATOM 609 C LEU A 83 18.287 41.092 -2.155 1.00 8.82 C ATOM 610 O LEU A 83 18.653 41.390 -3.288 1.00 9.72 O ATOM 611 CB LEU A 83 18.350 38.651 -1.587 1.00 8.90 C ATOM 612 CG LEU A 83 17.629 37.294 -1.457 1.00 10.17 C ATOM 613 CD1 LEU A 83 18.633 36.215 -1.076 1.00 9.48 C ATOM 614 CD2 LEU A 83 16.504 37.380 -0.443 1.00 9.63 C ATOM 0 H LEU A 83 17.152 39.330 -3.820 1.00 8.42 H new ATOM 0 HA LEU A 83 16.847 39.953 -1.174 1.00 8.68 H new ATOM 0 HB2 LEU A 83 19.031 38.574 -2.274 1.00 8.90 H new ATOM 0 HB3 LEU A 83 18.808 38.837 -0.753 1.00 8.90 H new ATOM 0 HG LEU A 83 17.234 37.061 -2.312 1.00 10.17 H new ATOM 0 HD11 LEU A 83 18.177 35.363 -0.995 1.00 9.48 H new ATOM 0 HD12 LEU A 83 19.316 36.152 -1.762 1.00 9.48 H new ATOM 0 HD13 LEU A 83 19.046 36.442 -0.228 1.00 9.48 H new ATOM 0 HD21 LEU A 83 16.063 36.519 -0.375 1.00 9.63 H new ATOM 0 HD22 LEU A 83 16.866 37.627 0.422 1.00 9.63 H new ATOM 0 HD23 LEU A 83 15.862 38.050 -0.727 1.00 9.63 H new ATOM 615 N SER A 84 18.574 41.833 -1.095 1.00 9.27 N ATOM 616 CA SER A 84 19.339 43.070 -1.257 1.00 8.79 C ATOM 617 C SER A 84 20.065 43.415 0.026 1.00 9.24 C ATOM 618 O SER A 84 19.553 43.169 1.125 1.00 9.27 O ATOM 619 CB SER A 84 18.408 44.216 -1.675 1.00 9.99 C ATOM 620 OG SER A 84 17.544 44.585 -0.617 1.00 11.19 O ATOM 0 H SER A 84 18.343 41.647 -0.288 1.00 9.27 H new ATOM 0 HA SER A 84 20.000 42.938 -1.955 1.00 8.79 H new ATOM 0 HB2 SER A 84 18.936 44.983 -1.947 1.00 9.99 H new ATOM 0 HB3 SER A 84 17.884 43.946 -2.445 1.00 9.99 H new ATOM 0 HG SER A 84 17.051 43.935 -0.418 1.00 11.19 H new ATOM 621 N ASP A 85 21.273 43.956 -0.104 1.00 8.46 N ATOM 622 CA ASP A 85 21.982 44.433 1.059 1.00 9.14 C ATOM 623 C ASP A 85 22.899 45.585 0.717 1.00 9.22 C ATOM 624 O ASP A 85 23.345 45.727 -0.423 1.00 9.73 O ATOM 625 CB ASP A 85 22.784 43.319 1.716 1.00 9.31 C ATOM 626 CG ASP A 85 23.145 43.654 3.149 1.00 9.97 C ATOM 627 OD1 ASP A 85 22.234 43.671 3.995 1.00 10.54 O ATOM 628 OD2 ASP A 85 24.334 43.915 3.423 1.00 9.23 O ATOM 0 H ASP A 85 21.689 44.052 -0.850 1.00 8.46 H new ATOM 0 HA ASP A 85 21.311 44.747 1.686 1.00 9.14 H new ATOM 0 HB2 ASP A 85 22.271 42.496 1.696 1.00 9.31 H new ATOM 0 HB3 ASP A 85 23.594 43.161 1.207 1.00 9.31 H new ATOM 629 N PHE A 86 23.167 46.407 1.720 1.00 9.46 N ATOM 630 CA PHE A 86 24.072 47.527 1.543 1.00 9.46 C ATOM 631 C PHE A 86 25.505 47.044 1.341 1.00 10.04 C ATOM 632 O PHE A 86 26.261 47.672 0.606 1.00 10.93 O ATOM 633 CB PHE A 86 23.999 48.433 2.765 1.00 10.08 C ATOM 634 CG PHE A 86 24.841 49.666 2.649 1.00 9.92 C ATOM 635 CD1 PHE A 86 24.301 50.831 2.098 1.00 12.01 C ATOM 636 CD2 PHE A 86 26.170 49.661 3.078 1.00 11.11 C ATOM 637 CE1 PHE A 86 25.069 51.986 1.986 1.00 12.27 C ATOM 638 CE2 PHE A 86 26.957 50.810 2.961 1.00 10.64 C ATOM 639 CZ PHE A 86 26.404 51.969 2.410 1.00 12.30 C ATOM 0 H PHE A 86 22.835 46.333 2.510 1.00 9.46 H new ATOM 0 HA PHE A 86 23.805 48.020 0.752 1.00 9.46 H new ATOM 0 HB2 PHE A 86 23.076 48.693 2.910 1.00 10.08 H new ATOM 0 HB3 PHE A 86 24.279 47.932 3.547 1.00 10.08 H new ATOM 0 HD1 PHE A 86 23.419 50.835 1.803 1.00 12.01 H new ATOM 0 HD2 PHE A 86 26.534 48.887 3.444 1.00 11.11 H new ATOM 0 HE1 PHE A 86 24.699 52.763 1.633 1.00 12.27 H new ATOM 0 HE2 PHE A 86 27.842 50.803 3.248 1.00 10.64 H new ATOM 0 HZ PHE A 86 26.926 52.734 2.324 1.00 12.30 H new ATOM 640 N THR A 87 25.869 45.937 1.990 1.00 9.90 N ATOM 641 CA THR A 87 27.291 45.565 2.128 1.00 10.49 C ATOM 642 C THR A 87 27.699 44.585 1.021 1.00 10.49 C ATOM 643 O THR A 87 27.114 43.511 0.892 1.00 10.34 O ATOM 644 CB THR A 87 27.586 44.998 3.553 1.00 10.55 C ATOM 645 OG1 THR A 87 27.319 46.008 4.543 1.00 10.02 O ATOM 646 CG2 THR A 87 29.041 44.564 3.675 1.00 11.15 C ATOM 0 H THR A 87 25.318 45.388 2.357 1.00 9.90 H new ATOM 0 HA THR A 87 27.832 46.363 2.025 1.00 10.49 H new ATOM 0 HB THR A 87 27.013 44.228 3.696 1.00 10.55 H new ATOM 0 HG1 THR A 87 26.556 45.884 4.872 1.00 10.02 H new ATOM 0 HG21 THR A 87 29.201 44.216 4.566 1.00 11.15 H new ATOM 0 HG22 THR A 87 29.229 43.874 3.020 1.00 11.15 H new ATOM 0 HG23 THR A 87 29.620 45.326 3.517 1.00 11.15 H new ATOM 647 N ASP A 88 28.701 44.969 0.225 1.00 10.71 N ATOM 648 CA ASP A 88 29.126 44.177 -0.937 1.00 11.37 C ATOM 649 C ASP A 88 29.480 42.739 -0.545 1.00 11.26 C ATOM 650 O ASP A 88 29.040 41.786 -1.203 1.00 11.44 O ATOM 651 CB ASP A 88 30.320 44.834 -1.642 1.00 11.86 C ATOM 652 CG ASP A 88 30.004 46.230 -2.197 1.00 13.74 C ATOM 653 OD1 ASP A 88 28.828 46.662 -2.197 1.00 13.82 O ATOM 654 OD2 ASP A 88 30.963 46.898 -2.643 1.00 14.34 O ATOM 0 H ASP A 88 29.152 45.692 0.342 1.00 10.71 H new ATOM 0 HA ASP A 88 28.375 44.147 -1.550 1.00 11.37 H new ATOM 0 HB2 ASP A 88 31.060 44.901 -1.018 1.00 11.86 H new ATOM 0 HB3 ASP A 88 30.613 44.262 -2.369 1.00 11.86 H new ATOM 655 N ARG A 89 30.262 42.592 0.526 1.00 11.41 N ATOM 656 CA ARG A 89 30.666 41.260 1.022 1.00 11.83 C ATOM 657 C ARG A 89 29.474 40.354 1.328 1.00 11.26 C ATOM 658 O ARG A 89 29.545 39.124 1.134 1.00 11.25 O ATOM 659 CB ARG A 89 31.544 41.379 2.272 1.00 11.80 C ATOM 660 CG ARG A 89 33.001 41.783 1.977 1.00 13.93 C ATOM 661 CD ARG A 89 33.824 41.742 3.260 1.00 13.87 C ATOM 662 NE ARG A 89 35.243 42.048 3.030 1.00 16.84 N ATOM 663 CZ ARG A 89 35.801 43.255 3.136 1.00 19.98 C ATOM 664 NH1 ARG A 89 35.085 44.321 3.474 1.00 20.00 N ATOM 665 NH2 ARG A 89 37.102 43.401 2.898 1.00 20.75 N ATOM 0 H ARG A 89 30.573 43.249 0.985 1.00 11.41 H new ATOM 0 HA ARG A 89 31.174 40.852 0.303 1.00 11.83 H new ATOM 0 HB2 ARG A 89 31.151 42.033 2.871 1.00 11.80 H new ATOM 0 HB3 ARG A 89 31.542 40.529 2.740 1.00 11.80 H new ATOM 0 HG2 ARG A 89 33.384 41.182 1.319 1.00 13.93 H new ATOM 0 HG3 ARG A 89 33.026 42.675 1.596 1.00 13.93 H new ATOM 0 HD2 ARG A 89 33.458 42.377 3.895 1.00 13.87 H new ATOM 0 HD3 ARG A 89 33.747 40.863 3.662 1.00 13.87 H new ATOM 0 HE ARG A 89 35.756 41.394 2.809 1.00 16.84 H new ATOM 0 HH11 ARG A 89 34.243 44.242 3.630 1.00 20.00 H new ATOM 0 HH12 ARG A 89 35.463 45.091 3.537 1.00 20.00 H new ATOM 0 HH21 ARG A 89 37.578 42.720 2.677 1.00 20.75 H new ATOM 0 HH22 ARG A 89 37.467 44.177 2.965 1.00 20.75 H new ATOM 666 N ASN A 90 28.384 40.955 1.823 1.00 10.32 N ATOM 667 CA ASN A 90 27.165 40.187 2.108 1.00 10.30 C ATOM 668 C ASN A 90 26.504 39.688 0.835 1.00 10.38 C ATOM 669 O ASN A 90 26.083 38.532 0.758 1.00 10.36 O ATOM 670 CB ASN A 90 26.172 41.000 2.945 1.00 9.89 C ATOM 671 CG ASN A 90 26.597 41.129 4.397 1.00 11.51 C ATOM 672 OD1 ASN A 90 27.371 40.311 4.912 1.00 12.32 O ATOM 673 ND2 ASN A 90 26.084 42.153 5.071 1.00 8.71 N ATOM 0 H ASN A 90 28.330 41.795 1.999 1.00 10.32 H new ATOM 0 HA ASN A 90 27.435 39.413 2.627 1.00 10.30 H new ATOM 0 HB2 ASN A 90 26.079 41.885 2.559 1.00 9.89 H new ATOM 0 HB3 ASN A 90 25.299 40.579 2.904 1.00 9.89 H new ATOM 0 HD21 ASN A 90 26.287 42.268 5.899 1.00 8.71 H new ATOM 0 HD22 ASN A 90 25.549 42.701 4.679 1.00 8.71 H new ATOM 674 N ARG A 91 26.410 40.558 -0.169 1.00 10.51 N ATOM 675 CA ARG A 91 25.843 40.150 -1.449 1.00 11.11 C ATOM 676 C ARG A 91 26.662 39.012 -2.068 1.00 11.70 C ATOM 677 O ARG A 91 26.101 38.083 -2.629 1.00 11.51 O ATOM 678 CB ARG A 91 25.689 41.347 -2.396 1.00 11.49 C ATOM 679 CG ARG A 91 24.718 42.395 -1.817 1.00 10.91 C ATOM 680 CD ARG A 91 24.233 43.393 -2.872 1.00 11.42 C ATOM 681 NE ARG A 91 25.347 43.977 -3.615 1.00 12.64 N ATOM 682 CZ ARG A 91 26.136 44.956 -3.173 1.00 15.50 C ATOM 683 NH1 ARG A 91 25.958 45.510 -1.959 1.00 13.41 N ATOM 684 NH2 ARG A 91 27.118 45.384 -3.964 1.00 16.67 N ATOM 0 H ARG A 91 26.665 41.378 -0.130 1.00 10.51 H new ATOM 0 HA ARG A 91 24.950 39.805 -1.293 1.00 11.11 H new ATOM 0 HB2 ARG A 91 26.556 41.755 -2.549 1.00 11.49 H new ATOM 0 HB3 ARG A 91 25.363 41.042 -3.257 1.00 11.49 H new ATOM 0 HG2 ARG A 91 23.953 41.943 -1.429 1.00 10.91 H new ATOM 0 HG3 ARG A 91 25.158 42.877 -1.099 1.00 10.91 H new ATOM 0 HD2 ARG A 91 23.631 42.946 -3.488 1.00 11.42 H new ATOM 0 HD3 ARG A 91 23.725 44.099 -2.441 1.00 11.42 H new ATOM 0 HE ARG A 91 25.506 43.664 -4.400 1.00 12.64 H new ATOM 0 HH11 ARG A 91 25.323 45.233 -1.449 1.00 13.41 H new ATOM 0 HH12 ARG A 91 26.479 46.141 -1.694 1.00 13.41 H new ATOM 0 HH21 ARG A 91 27.231 45.030 -4.739 1.00 16.67 H new ATOM 0 HH22 ARG A 91 27.639 46.015 -3.699 1.00 16.67 H new ATOM 685 N GLU A 92 27.979 39.073 -1.916 1.00 12.00 N ATOM 686 CA GLU A 92 28.858 38.006 -2.397 1.00 13.92 C ATOM 687 C GLU A 92 28.533 36.656 -1.729 1.00 12.52 C ATOM 688 O GLU A 92 28.443 35.629 -2.410 1.00 12.64 O ATOM 689 CB GLU A 92 30.318 38.436 -2.200 1.00 14.04 C ATOM 690 CG GLU A 92 31.386 37.423 -2.548 1.00 17.77 C ATOM 691 CD GLU A 92 32.790 38.035 -2.462 1.00 18.88 C ATOM 692 OE1 GLU A 92 32.905 39.236 -2.088 1.00 25.43 O ATOM 693 OE2 GLU A 92 33.778 37.318 -2.769 1.00 26.46 O ATOM 0 H GLU A 92 28.389 39.726 -1.535 1.00 12.00 H new ATOM 0 HA GLU A 92 28.709 37.864 -3.345 1.00 13.92 H new ATOM 0 HB2 GLU A 92 30.472 39.232 -2.733 1.00 14.04 H new ATOM 0 HB3 GLU A 92 30.435 38.690 -1.271 1.00 14.04 H new ATOM 0 HG2 GLU A 92 31.324 36.666 -1.945 1.00 17.77 H new ATOM 0 HG3 GLU A 92 31.233 37.085 -3.444 1.00 17.77 H new ATOM 694 N GLU A 93 28.323 36.666 -0.414 1.00 11.95 N ATOM 695 CA GLU A 93 27.927 35.445 0.328 1.00 11.96 C ATOM 696 C GLU A 93 26.596 34.871 -0.153 1.00 11.05 C ATOM 697 O GLU A 93 26.465 33.650 -0.334 1.00 11.22 O ATOM 698 CB GLU A 93 27.843 35.710 1.831 1.00 12.45 C ATOM 699 CG GLU A 93 29.176 35.675 2.562 1.00 17.01 C ATOM 700 CD GLU A 93 29.831 34.282 2.643 1.00 18.20 C ATOM 701 OE1 GLU A 93 29.144 33.231 2.711 1.00 21.51 O ATOM 702 OE2 GLU A 93 31.068 34.258 2.658 1.00 23.13 O ATOM 0 H GLU A 93 28.402 37.367 0.077 1.00 11.95 H new ATOM 0 HA GLU A 93 28.621 34.791 0.151 1.00 11.96 H new ATOM 0 HB2 GLU A 93 27.435 36.579 1.971 1.00 12.45 H new ATOM 0 HB3 GLU A 93 27.253 35.052 2.230 1.00 12.45 H new ATOM 0 HG2 GLU A 93 29.790 36.282 2.119 1.00 17.01 H new ATOM 0 HG3 GLU A 93 29.046 36.010 3.463 1.00 17.01 H new ATOM 703 N LEU A 94 25.604 35.748 -0.345 1.00 9.86 N ATOM 704 CA LEU A 94 24.303 35.329 -0.881 1.00 9.65 C ATOM 705 C LEU A 94 24.475 34.642 -2.231 1.00 10.25 C ATOM 706 O LEU A 94 23.924 33.557 -2.456 1.00 10.24 O ATOM 707 CB LEU A 94 23.345 36.518 -1.015 1.00 9.69 C ATOM 708 CG LEU A 94 22.911 37.201 0.293 1.00 9.11 C ATOM 709 CD1 LEU A 94 22.105 38.465 -0.043 1.00 9.49 C ATOM 710 CD2 LEU A 94 22.088 36.230 1.196 1.00 10.32 C ATOM 0 H LEU A 94 25.664 36.588 -0.172 1.00 9.86 H new ATOM 0 HA LEU A 94 23.917 34.698 -0.253 1.00 9.65 H new ATOM 0 HB2 LEU A 94 23.766 37.185 -1.580 1.00 9.69 H new ATOM 0 HB3 LEU A 94 22.548 36.215 -1.478 1.00 9.69 H new ATOM 0 HG LEU A 94 23.701 37.451 0.797 1.00 9.11 H new ATOM 0 HD11 LEU A 94 21.828 38.900 0.778 1.00 9.49 H new ATOM 0 HD12 LEU A 94 22.656 39.072 -0.561 1.00 9.49 H new ATOM 0 HD13 LEU A 94 21.321 38.221 -0.559 1.00 9.49 H new ATOM 0 HD21 LEU A 94 21.829 36.687 2.011 1.00 10.32 H new ATOM 0 HD22 LEU A 94 21.293 35.942 0.721 1.00 10.32 H new ATOM 0 HD23 LEU A 94 22.630 35.457 1.418 1.00 10.32 H new ATOM 711 N GLU A 95 25.252 35.263 -3.118 1.00 10.43 N ATOM 712 CA GLU A 95 25.473 34.687 -4.446 1.00 11.06 C ATOM 713 C GLU A 95 26.167 33.318 -4.382 1.00 10.87 C ATOM 714 O GLU A 95 25.814 32.423 -5.152 1.00 10.46 O ATOM 715 CB GLU A 95 26.207 35.673 -5.361 1.00 11.76 C ATOM 716 CG GLU A 95 25.381 36.937 -5.613 1.00 14.58 C ATOM 717 CD GLU A 95 25.442 37.458 -7.045 1.00 22.19 C ATOM 718 OE1 GLU A 95 26.187 36.889 -7.886 1.00 25.93 O ATOM 719 OE2 GLU A 95 24.728 38.444 -7.335 1.00 22.43 O ATOM 0 H GLU A 95 25.656 36.009 -2.974 1.00 10.43 H new ATOM 0 HA GLU A 95 24.601 34.524 -4.839 1.00 11.06 H new ATOM 0 HB2 GLU A 95 27.056 35.916 -4.960 1.00 11.76 H new ATOM 0 HB3 GLU A 95 26.406 35.242 -6.207 1.00 11.76 H new ATOM 0 HG2 GLU A 95 24.456 36.755 -5.386 1.00 14.58 H new ATOM 0 HG3 GLU A 95 25.688 37.635 -5.014 1.00 14.58 H new ATOM 720 N LYS A 96 27.101 33.136 -3.444 1.00 10.73 N ATOM 721 CA LYS A 96 27.762 31.830 -3.267 1.00 11.29 C ATOM 722 C LYS A 96 26.723 30.743 -2.958 1.00 11.12 C ATOM 723 O LYS A 96 26.776 29.628 -3.504 1.00 11.36 O ATOM 724 CB LYS A 96 28.790 31.875 -2.136 1.00 11.68 C ATOM 725 CG LYS A 96 30.073 32.605 -2.467 1.00 14.23 C ATOM 726 CD LYS A 96 31.042 32.464 -1.296 1.00 19.26 C ATOM 727 CE LYS A 96 32.462 32.826 -1.687 1.00 22.62 C ATOM 728 NZ LYS A 96 32.603 34.250 -2.075 1.00 24.66 N ATOM 0 H LYS A 96 27.367 33.748 -2.902 1.00 10.73 H new ATOM 0 HA LYS A 96 28.219 31.621 -4.096 1.00 11.29 H new ATOM 0 HB2 LYS A 96 28.383 32.298 -1.364 1.00 11.68 H new ATOM 0 HB3 LYS A 96 29.008 30.965 -1.879 1.00 11.68 H new ATOM 0 HG2 LYS A 96 30.468 32.239 -3.274 1.00 14.23 H new ATOM 0 HG3 LYS A 96 29.890 33.542 -2.640 1.00 14.23 H new ATOM 0 HD2 LYS A 96 30.753 33.035 -0.567 1.00 19.26 H new ATOM 0 HD3 LYS A 96 31.020 31.552 -0.967 1.00 19.26 H new ATOM 0 HE2 LYS A 96 33.056 32.637 -0.944 1.00 22.62 H new ATOM 0 HE3 LYS A 96 32.743 32.264 -2.426 1.00 22.62 H new ATOM 0 HZ1 LYS A 96 33.446 34.412 -2.309 1.00 24.66 H new ATOM 0 HZ2 LYS A 96 32.066 34.425 -2.762 1.00 24.66 H new ATOM 0 HZ3 LYS A 96 32.382 34.769 -1.386 1.00 24.66 H new ATOM 729 N TRP A 97 25.781 31.079 -2.078 1.00 10.78 N ATOM 730 CA TRP A 97 24.727 30.138 -1.693 1.00 10.92 C ATOM 731 C TRP A 97 23.785 29.836 -2.869 1.00 10.42 C ATOM 732 O TRP A 97 23.466 28.669 -3.144 1.00 9.84 O ATOM 733 CB TRP A 97 23.954 30.650 -0.462 1.00 10.46 C ATOM 734 CG TRP A 97 23.000 29.634 0.048 1.00 12.46 C ATOM 735 CD1 TRP A 97 23.287 28.608 0.927 1.00 10.21 C ATOM 736 CD2 TRP A 97 21.621 29.464 -0.326 1.00 12.90 C ATOM 737 NE1 TRP A 97 22.166 27.847 1.146 1.00 11.93 N ATOM 738 CE2 TRP A 97 21.132 28.335 0.390 1.00 9.02 C ATOM 739 CE3 TRP A 97 20.743 30.160 -1.172 1.00 9.21 C ATOM 740 CZ2 TRP A 97 19.801 27.903 0.295 1.00 10.13 C ATOM 741 CZ3 TRP A 97 19.412 29.712 -1.275 1.00 10.60 C ATOM 742 CH2 TRP A 97 18.966 28.592 -0.553 1.00 10.52 C ATOM 0 H TRP A 97 25.733 31.846 -1.692 1.00 10.78 H new ATOM 0 HA TRP A 97 25.151 29.301 -1.446 1.00 10.92 H new ATOM 0 HB2 TRP A 97 24.581 30.886 0.239 1.00 10.46 H new ATOM 0 HB3 TRP A 97 23.472 31.459 -0.696 1.00 10.46 H new ATOM 0 HD1 TRP A 97 24.119 28.455 1.314 1.00 10.21 H new ATOM 0 HE1 TRP A 97 22.120 27.170 1.675 1.00 11.93 H new ATOM 0 HE3 TRP A 97 21.034 30.900 -1.654 1.00 9.21 H new ATOM 0 HZ2 TRP A 97 19.494 27.177 0.788 1.00 10.13 H new ATOM 0 HZ3 TRP A 97 18.819 30.165 -1.830 1.00 10.60 H new ATOM 0 HH2 TRP A 97 18.085 28.310 -0.651 1.00 10.52 H new ATOM 743 N LEU A 98 23.356 30.885 -3.573 1.00 10.36 N ATOM 744 CA LEU A 98 22.434 30.728 -4.703 1.00 10.03 C ATOM 745 C LEU A 98 23.057 29.915 -5.840 1.00 10.38 C ATOM 746 O LEU A 98 22.380 29.134 -6.508 1.00 10.94 O ATOM 747 CB LEU A 98 22.010 32.095 -5.219 1.00 10.34 C ATOM 748 CG LEU A 98 21.142 32.884 -4.228 1.00 9.97 C ATOM 749 CD1 LEU A 98 21.052 34.343 -4.667 1.00 10.77 C ATOM 750 CD2 LEU A 98 19.755 32.220 -4.141 1.00 9.59 C ATOM 0 H LEU A 98 23.587 31.698 -3.413 1.00 10.36 H new ATOM 0 HA LEU A 98 21.658 30.242 -4.383 1.00 10.03 H new ATOM 0 HB2 LEU A 98 22.803 32.614 -5.427 1.00 10.34 H new ATOM 0 HB3 LEU A 98 21.519 31.982 -6.048 1.00 10.34 H new ATOM 0 HG LEU A 98 21.540 32.873 -3.343 1.00 9.97 H new ATOM 0 HD11 LEU A 98 20.503 34.837 -4.038 1.00 10.77 H new ATOM 0 HD12 LEU A 98 21.941 34.729 -4.692 1.00 10.77 H new ATOM 0 HD13 LEU A 98 20.654 34.391 -5.550 1.00 10.77 H new ATOM 0 HD21 LEU A 98 19.199 32.712 -3.517 1.00 9.59 H new ATOM 0 HD22 LEU A 98 19.338 32.224 -5.017 1.00 9.59 H new ATOM 0 HD23 LEU A 98 19.853 31.305 -3.834 1.00 9.59 H new ATOM 751 N LYS A 99 24.356 30.120 -6.042 1.00 10.54 N ATOM 752 CA LYS A 99 25.117 29.430 -7.080 1.00 11.16 C ATOM 753 C LYS A 99 25.582 28.017 -6.696 1.00 11.73 C ATOM 754 O LYS A 99 26.069 27.274 -7.567 1.00 11.90 O ATOM 755 CB LYS A 99 26.340 30.259 -7.448 1.00 10.84 C ATOM 756 CG LYS A 99 26.028 31.565 -8.156 1.00 11.52 C ATOM 757 CD LYS A 99 27.291 32.403 -8.304 1.00 13.91 C ATOM 758 CE LYS A 99 27.020 33.639 -9.164 1.00 15.89 C ATOM 759 NZ LYS A 99 28.284 34.390 -9.485 1.00 15.68 N ATOM 0 H LYS A 99 24.825 30.669 -5.575 1.00 10.54 H new ATOM 0 HA LYS A 99 24.508 29.329 -7.828 1.00 11.16 H new ATOM 0 HB2 LYS A 99 26.839 30.454 -6.639 1.00 10.84 H new ATOM 0 HB3 LYS A 99 26.918 29.727 -8.017 1.00 10.84 H new ATOM 0 HG2 LYS A 99 25.649 31.383 -9.030 1.00 11.52 H new ATOM 0 HG3 LYS A 99 25.361 32.060 -7.655 1.00 11.52 H new ATOM 0 HD2 LYS A 99 27.609 32.675 -7.429 1.00 13.91 H new ATOM 0 HD3 LYS A 99 27.993 31.870 -8.708 1.00 13.91 H new ATOM 0 HE2 LYS A 99 26.586 33.369 -9.989 1.00 15.89 H new ATOM 0 HE3 LYS A 99 26.404 34.227 -8.699 1.00 15.89 H new ATOM 0 HZ1 LYS A 99 28.158 34.886 -10.213 1.00 15.68 H new ATOM 0 HZ2 LYS A 99 28.499 34.917 -8.801 1.00 15.68 H new ATOM 0 HZ3 LYS A 99 28.944 33.811 -9.632 1.00 15.68 H new ATOM 760 N LYS A 100 25.420 27.650 -5.422 1.00 11.57 N ATOM 761 CA LYS A 100 25.958 26.399 -4.867 1.00 12.88 C ATOM 762 C LYS A 100 27.473 26.329 -5.087 1.00 13.09 C ATOM 763 O LYS A 100 28.012 25.309 -5.523 1.00 13.49 O ATOM 764 CB LYS A 100 25.252 25.160 -5.448 1.00 12.35 C ATOM 765 CG LYS A 100 23.745 25.140 -5.198 1.00 14.17 C ATOM 766 CD LYS A 100 23.058 23.908 -5.764 1.00 13.69 C ATOM 767 CE LYS A 100 23.329 22.686 -4.910 1.00 15.60 C ATOM 768 NZ LYS A 100 22.550 21.529 -5.401 1.00 15.94 N ATOM 0 H LYS A 100 24.990 28.125 -4.848 1.00 11.57 H new ATOM 0 HA LYS A 100 25.784 26.399 -3.913 1.00 12.88 H new ATOM 0 HB2 LYS A 100 25.414 25.123 -6.404 1.00 12.35 H new ATOM 0 HB3 LYS A 100 25.647 24.362 -5.063 1.00 12.35 H new ATOM 0 HG2 LYS A 100 23.581 25.184 -4.243 1.00 14.17 H new ATOM 0 HG3 LYS A 100 23.348 25.933 -5.591 1.00 14.17 H new ATOM 0 HD2 LYS A 100 22.102 24.063 -5.816 1.00 13.69 H new ATOM 0 HD3 LYS A 100 23.369 23.748 -6.669 1.00 13.69 H new ATOM 0 HE2 LYS A 100 24.276 22.476 -4.927 1.00 15.60 H new ATOM 0 HE3 LYS A 100 23.096 22.872 -3.987 1.00 15.60 H new ATOM 0 HZ1 LYS A 100 22.881 20.779 -5.054 1.00 15.94 H new ATOM 0 HZ2 LYS A 100 21.699 21.618 -5.156 1.00 15.94 H new ATOM 0 HZ3 LYS A 100 22.601 21.492 -6.289 1.00 15.94 H new ATOM 769 N GLU A 101 28.152 27.431 -4.791 1.00 13.91 N ATOM 770 CA GLU A 101 29.617 27.474 -4.896 1.00 15.17 C ATOM 771 C GLU A 101 30.246 26.810 -3.667 1.00 15.49 C ATOM 772 O GLU A 101 29.575 26.645 -2.653 1.00 15.24 O ATOM 773 CB GLU A 101 30.100 28.913 -5.085 1.00 15.79 C ATOM 774 CG GLU A 101 29.803 29.424 -6.485 1.00 19.16 C ATOM 775 CD GLU A 101 30.305 30.828 -6.757 1.00 22.67 C ATOM 776 OE1 GLU A 101 30.206 31.697 -5.873 1.00 22.93 O ATOM 777 OE2 GLU A 101 30.787 31.064 -7.887 1.00 26.24 O ATOM 0 H GLU A 101 27.790 28.165 -4.528 1.00 13.91 H new ATOM 0 HA GLU A 101 29.899 26.975 -5.679 1.00 15.17 H new ATOM 0 HB2 GLU A 101 29.670 29.488 -4.432 1.00 15.79 H new ATOM 0 HB3 GLU A 101 31.055 28.959 -4.919 1.00 15.79 H new ATOM 0 HG2 GLU A 101 30.202 28.819 -7.130 1.00 19.16 H new ATOM 0 HG3 GLU A 101 28.844 29.401 -6.629 1.00 19.16 H new ATOM 778 N PRO A 102 31.524 26.379 -3.766 1.00 16.17 N ATOM 779 CA PRO A 102 32.168 25.707 -2.624 1.00 16.71 C ATOM 780 C PRO A 102 32.110 26.452 -1.276 1.00 17.19 C ATOM 781 O PRO A 102 32.015 25.814 -0.229 1.00 18.43 O ATOM 782 CB PRO A 102 33.626 25.576 -3.087 1.00 16.94 C ATOM 783 CG PRO A 102 33.515 25.416 -4.557 1.00 15.57 C ATOM 784 CD PRO A 102 32.425 26.420 -4.939 1.00 16.31 C ATOM 0 HA PRO A 102 31.706 24.877 -2.428 1.00 16.71 H new ATOM 0 HB2 PRO A 102 34.146 26.360 -2.852 1.00 16.94 H new ATOM 0 HB3 PRO A 102 34.063 24.813 -2.677 1.00 16.94 H new ATOM 0 HG2 PRO A 102 34.354 25.612 -5.003 1.00 15.57 H new ATOM 0 HG3 PRO A 102 33.269 24.510 -4.801 1.00 15.57 H new ATOM 0 HD2 PRO A 102 32.787 27.308 -5.085 1.00 16.31 H new ATOM 0 HD3 PRO A 102 31.967 26.163 -5.755 1.00 16.31 H new ATOM 785 N GLY A 103 32.167 27.776 -1.304 1.00 17.23 N ATOM 786 CA GLY A 103 32.175 28.560 -0.057 1.00 17.39 C ATOM 787 C GLY A 103 30.811 28.845 0.554 1.00 16.90 C ATOM 788 O GLY A 103 30.732 29.527 1.584 1.00 17.53 O ATOM 0 H GLY A 103 32.202 28.245 -2.024 1.00 17.23 H new ATOM 0 HA2 GLY A 103 32.712 28.088 0.599 1.00 17.39 H new ATOM 0 HA3 GLY A 103 32.617 29.406 -0.230 1.00 17.39 H new ATOM 789 N ALA A 104 29.745 28.330 -0.065 1.00 15.35 N ATOM 790 CA ALA A 104 28.371 28.602 0.395 1.00 14.22 C ATOM 791 C ALA A 104 28.153 28.176 1.846 1.00 13.53 C ATOM 792 O ALA A 104 28.583 27.092 2.259 1.00 12.68 O ATOM 793 CB ALA A 104 27.361 27.920 -0.518 1.00 13.75 C ATOM 0 H ALA A 104 29.793 27.819 -0.755 1.00 15.35 H new ATOM 0 HA ALA A 104 28.238 29.562 0.355 1.00 14.22 H new ATOM 0 HB1 ALA A 104 26.463 28.107 -0.204 1.00 13.75 H new ATOM 0 HB2 ALA A 104 27.464 28.256 -1.422 1.00 13.75 H new ATOM 0 HB3 ALA A 104 27.513 26.962 -0.510 1.00 13.75 H new ATOM 794 N TYR A 105 27.496 29.030 2.629 1.00 12.75 N ATOM 795 CA TYR A 105 27.230 28.688 4.023 1.00 12.59 C ATOM 796 C TYR A 105 26.190 27.574 4.109 1.00 12.80 C ATOM 797 O TYR A 105 25.269 27.502 3.284 1.00 13.18 O ATOM 798 CB TYR A 105 26.765 29.920 4.811 1.00 12.58 C ATOM 799 CG TYR A 105 26.870 29.766 6.306 1.00 12.27 C ATOM 800 CD1 TYR A 105 28.117 29.663 6.922 1.00 11.53 C ATOM 801 CD2 TYR A 105 25.722 29.739 7.116 1.00 12.55 C ATOM 802 CE1 TYR A 105 28.237 29.528 8.290 1.00 11.50 C ATOM 803 CE2 TYR A 105 25.831 29.608 8.507 1.00 11.72 C ATOM 804 CZ TYR A 105 27.092 29.500 9.081 1.00 11.95 C ATOM 805 OH TYR A 105 27.232 29.379 10.439 1.00 12.92 O ATOM 0 H TYR A 105 27.201 29.798 2.378 1.00 12.75 H new ATOM 0 HA TYR A 105 28.057 28.371 4.420 1.00 12.59 H new ATOM 0 HB2 TYR A 105 27.292 30.686 4.536 1.00 12.58 H new ATOM 0 HB3 TYR A 105 25.843 30.112 4.579 1.00 12.58 H new ATOM 0 HD1 TYR A 105 28.885 29.686 6.399 1.00 11.53 H new ATOM 0 HD2 TYR A 105 24.881 29.809 6.725 1.00 12.55 H new ATOM 0 HE1 TYR A 105 29.078 29.456 8.681 1.00 11.50 H new ATOM 0 HE2 TYR A 105 25.069 29.594 9.040 1.00 11.72 H new ATOM 0 HH TYR A 105 26.574 29.734 10.821 1.00 12.92 H new ATOM 806 N ASP A 106 26.343 26.702 5.104 1.00 12.72 N ATOM 807 CA ASP A 106 25.431 25.577 5.273 1.00 12.52 C ATOM 808 C ASP A 106 24.240 25.958 6.156 1.00 11.91 C ATOM 809 O ASP A 106 24.378 26.054 7.379 1.00 12.17 O ATOM 810 CB ASP A 106 26.179 24.382 5.871 1.00 12.97 C ATOM 811 CG ASP A 106 25.340 23.121 5.912 1.00 14.90 C ATOM 812 OD1 ASP A 106 24.122 23.188 5.655 1.00 14.03 O ATOM 813 OD2 ASP A 106 25.912 22.044 6.191 1.00 17.47 O ATOM 0 H ASP A 106 26.970 26.746 5.691 1.00 12.72 H new ATOM 0 HA ASP A 106 25.087 25.331 4.400 1.00 12.52 H new ATOM 0 HB2 ASP A 106 26.980 24.215 5.351 1.00 12.97 H new ATOM 0 HB3 ASP A 106 26.466 24.603 6.771 1.00 12.97 H new ATOM 814 N TRP A 107 23.075 26.139 5.533 1.00 11.24 N ATOM 815 CA TRP A 107 21.842 26.543 6.236 1.00 11.04 C ATOM 816 C TRP A 107 20.944 25.358 6.592 1.00 11.20 C ATOM 817 O TRP A 107 19.800 25.542 7.027 1.00 11.06 O ATOM 818 CB TRP A 107 21.050 27.571 5.390 1.00 10.63 C ATOM 819 CG TRP A 107 21.690 28.916 5.414 1.00 10.10 C ATOM 820 CD1 TRP A 107 22.563 29.413 4.501 1.00 9.88 C ATOM 821 CD2 TRP A 107 21.541 29.918 6.423 1.00 9.22 C ATOM 822 NE1 TRP A 107 22.968 30.675 4.863 1.00 9.90 N ATOM 823 CE2 TRP A 107 22.361 31.007 6.049 1.00 9.42 C ATOM 824 CE3 TRP A 107 20.802 29.999 7.615 1.00 10.00 C ATOM 825 CZ2 TRP A 107 22.462 32.170 6.823 1.00 10.50 C ATOM 826 CZ3 TRP A 107 20.894 31.167 8.386 1.00 9.51 C ATOM 827 CH2 TRP A 107 21.729 32.228 7.986 1.00 9.93 C ATOM 0 H TRP A 107 22.972 26.032 4.686 1.00 11.24 H new ATOM 0 HA TRP A 107 22.120 26.950 7.071 1.00 11.04 H new ATOM 0 HB2 TRP A 107 20.989 27.258 4.474 1.00 10.63 H new ATOM 0 HB3 TRP A 107 20.143 27.638 5.728 1.00 10.63 H new ATOM 0 HD1 TRP A 107 22.847 28.963 3.738 1.00 9.88 H new ATOM 0 HE1 TRP A 107 23.511 31.174 4.421 1.00 9.90 H new ATOM 0 HE3 TRP A 107 20.262 29.292 7.887 1.00 10.00 H new ATOM 0 HZ2 TRP A 107 23.005 32.878 6.560 1.00 10.50 H new ATOM 0 HZ3 TRP A 107 20.398 31.242 9.169 1.00 9.51 H new ATOM 0 HH2 TRP A 107 21.786 32.987 8.521 1.00 9.93 H new ATOM 828 N THR A 108 21.457 24.137 6.427 1.00 11.56 N ATOM 829 CA THR A 108 20.607 22.938 6.527 1.00 12.02 C ATOM 830 C THR A 108 19.740 22.860 7.800 1.00 11.95 C ATOM 831 O THR A 108 18.543 22.564 7.684 1.00 11.81 O ATOM 832 CB THR A 108 21.415 21.625 6.305 1.00 11.87 C ATOM 833 OG1 THR A 108 22.039 21.677 5.018 1.00 13.73 O ATOM 834 CG2 THR A 108 20.491 20.409 6.354 1.00 12.93 C ATOM 0 H THR A 108 22.285 23.978 6.258 1.00 11.56 H new ATOM 0 HA THR A 108 19.974 23.032 5.798 1.00 12.02 H new ATOM 0 HB THR A 108 22.080 21.544 7.006 1.00 11.87 H new ATOM 0 HG1 THR A 108 22.746 22.129 5.067 1.00 13.73 H new ATOM 0 HG21 THR A 108 21.010 19.602 6.214 1.00 12.93 H new ATOM 0 HG22 THR A 108 20.056 20.367 7.220 1.00 12.93 H new ATOM 0 HG23 THR A 108 19.819 20.485 5.659 1.00 12.93 H new ATOM 835 N PRO A 109 20.326 23.117 9.001 1.00 12.88 N ATOM 836 CA PRO A 109 19.500 23.058 10.220 1.00 13.26 C ATOM 837 C PRO A 109 18.288 23.994 10.172 1.00 13.20 C ATOM 838 O PRO A 109 17.195 23.604 10.598 1.00 13.73 O ATOM 839 CB PRO A 109 20.482 23.449 11.332 1.00 13.80 C ATOM 840 CG PRO A 109 21.827 23.050 10.793 1.00 13.63 C ATOM 841 CD PRO A 109 21.735 23.421 9.332 1.00 13.06 C ATOM 0 HA PRO A 109 19.104 22.182 10.349 1.00 13.26 H new ATOM 0 HB2 PRO A 109 20.444 24.400 11.521 1.00 13.80 H new ATOM 0 HB3 PRO A 109 20.281 22.987 12.161 1.00 13.80 H new ATOM 0 HG2 PRO A 109 22.547 23.524 11.239 1.00 13.63 H new ATOM 0 HG3 PRO A 109 21.994 22.102 10.912 1.00 13.63 H new ATOM 0 HD2 PRO A 109 21.945 24.357 9.185 1.00 13.06 H new ATOM 0 HD3 PRO A 109 22.351 22.903 8.790 1.00 13.06 H new ATOM 842 N ALA A 110 18.472 25.206 9.640 1.00 12.61 N ATOM 843 CA ALA A 110 17.359 26.158 9.470 1.00 11.86 C ATOM 844 C ALA A 110 16.333 25.702 8.418 1.00 11.73 C ATOM 845 O ALA A 110 15.122 25.831 8.626 1.00 11.19 O ATOM 846 CB ALA A 110 17.894 27.562 9.141 1.00 11.30 C ATOM 0 H ALA A 110 19.234 25.500 9.370 1.00 12.61 H new ATOM 0 HA ALA A 110 16.887 26.190 10.317 1.00 11.86 H new ATOM 0 HB1 ALA A 110 17.150 28.175 9.033 1.00 11.30 H new ATOM 0 HB2 ALA A 110 18.463 27.869 9.864 1.00 11.30 H new ATOM 0 HB3 ALA A 110 18.407 27.528 8.319 1.00 11.30 H new ATOM 847 N VAL A 111 16.814 25.181 7.287 1.00 11.49 N ATOM 848 CA VAL A 111 15.923 24.640 6.254 1.00 11.57 C ATOM 849 C VAL A 111 15.077 23.503 6.842 1.00 12.09 C ATOM 850 O VAL A 111 13.854 23.464 6.663 1.00 11.75 O ATOM 851 CB VAL A 111 16.698 24.138 5.011 1.00 11.75 C ATOM 852 CG1 VAL A 111 15.722 23.717 3.918 1.00 11.64 C ATOM 853 CG2 VAL A 111 17.653 25.233 4.484 1.00 11.05 C ATOM 0 H VAL A 111 17.651 25.131 7.098 1.00 11.49 H new ATOM 0 HA VAL A 111 15.346 25.362 5.959 1.00 11.57 H new ATOM 0 HB VAL A 111 17.229 23.369 5.270 1.00 11.75 H new ATOM 0 HG11 VAL A 111 16.217 23.405 3.145 1.00 11.64 H new ATOM 0 HG12 VAL A 111 15.154 23.003 4.248 1.00 11.64 H new ATOM 0 HG13 VAL A 111 15.173 24.475 3.665 1.00 11.64 H new ATOM 0 HG21 VAL A 111 18.129 24.901 3.707 1.00 11.05 H new ATOM 0 HG22 VAL A 111 17.140 26.019 4.237 1.00 11.05 H new ATOM 0 HG23 VAL A 111 18.290 25.468 5.177 1.00 11.05 H new ATOM 854 N LYS A 112 15.735 22.595 7.559 1.00 12.47 N ATOM 855 CA LYS A 112 15.028 21.495 8.214 1.00 12.83 C ATOM 856 C LYS A 112 13.959 21.995 9.193 1.00 12.69 C ATOM 857 O LYS A 112 12.836 21.491 9.204 1.00 12.69 O ATOM 858 CB LYS A 112 16.027 20.573 8.916 1.00 13.40 C ATOM 859 CG LYS A 112 16.750 19.647 7.950 1.00 14.22 C ATOM 860 CD LYS A 112 17.769 18.772 8.686 1.00 16.79 C ATOM 861 CE LYS A 112 18.435 17.793 7.726 1.00 19.15 C ATOM 862 NZ LYS A 112 19.616 17.120 8.367 1.00 22.08 N ATOM 0 H LYS A 112 16.587 22.597 7.679 1.00 12.47 H new ATOM 0 HA LYS A 112 14.563 20.992 7.527 1.00 12.83 H new ATOM 0 HB2 LYS A 112 16.679 21.111 9.392 1.00 13.40 H new ATOM 0 HB3 LYS A 112 15.560 20.041 9.579 1.00 13.40 H new ATOM 0 HG2 LYS A 112 16.106 19.084 7.493 1.00 14.22 H new ATOM 0 HG3 LYS A 112 17.201 20.172 7.270 1.00 14.22 H new ATOM 0 HD2 LYS A 112 18.443 19.333 9.102 1.00 16.79 H new ATOM 0 HD3 LYS A 112 17.328 18.283 9.398 1.00 16.79 H new ATOM 0 HE2 LYS A 112 17.792 17.124 7.445 1.00 19.15 H new ATOM 0 HE3 LYS A 112 18.722 18.264 6.928 1.00 19.15 H new ATOM 0 HZ1 LYS A 112 20.111 16.728 7.740 1.00 22.08 H new ATOM 0 HZ2 LYS A 112 20.106 17.726 8.796 1.00 22.08 H new ATOM 0 HZ3 LYS A 112 19.331 16.506 8.945 1.00 22.08 H new ATOM 863 N PHE A 113 14.312 22.985 10.009 1.00 12.43 N ATOM 864 CA PHE A 113 13.368 23.533 10.983 1.00 13.11 C ATOM 865 C PHE A 113 12.176 24.174 10.281 1.00 12.49 C ATOM 866 O PHE A 113 11.025 23.942 10.661 1.00 12.23 O ATOM 867 CB PHE A 113 14.054 24.542 11.910 1.00 13.41 C ATOM 868 CG PHE A 113 13.187 24.997 13.061 1.00 15.45 C ATOM 869 CD1 PHE A 113 13.111 24.241 14.231 1.00 18.41 C ATOM 870 CD2 PHE A 113 12.453 26.181 12.983 1.00 15.27 C ATOM 871 CE1 PHE A 113 12.310 24.655 15.302 1.00 19.43 C ATOM 872 CE2 PHE A 113 11.651 26.595 14.040 1.00 15.48 C ATOM 873 CZ PHE A 113 11.576 25.827 15.204 1.00 17.01 C ATOM 0 H PHE A 113 15.089 23.353 10.016 1.00 12.43 H new ATOM 0 HA PHE A 113 13.043 22.798 11.527 1.00 13.11 H new ATOM 0 HB2 PHE A 113 14.865 24.145 12.264 1.00 13.41 H new ATOM 0 HB3 PHE A 113 14.321 25.317 11.391 1.00 13.41 H new ATOM 0 HD1 PHE A 113 13.599 23.452 14.300 1.00 18.41 H new ATOM 0 HD2 PHE A 113 12.501 26.700 12.213 1.00 15.27 H new ATOM 0 HE1 PHE A 113 12.270 24.144 16.078 1.00 19.43 H new ATOM 0 HE2 PHE A 113 11.164 27.384 13.972 1.00 15.48 H new ATOM 0 HZ PHE A 113 11.036 26.101 15.910 1.00 17.01 H new ATOM 874 N ALA A 114 12.457 24.970 9.244 1.00 12.19 N ATOM 875 CA ALA A 114 11.402 25.542 8.414 1.00 12.46 C ATOM 876 C ALA A 114 10.431 24.471 7.867 1.00 12.79 C ATOM 877 O ALA A 114 9.210 24.658 7.902 1.00 12.61 O ATOM 878 CB ALA A 114 12.001 26.384 7.281 1.00 12.07 C ATOM 0 H ALA A 114 13.254 25.189 9.008 1.00 12.19 H new ATOM 0 HA ALA A 114 10.875 26.124 8.983 1.00 12.46 H new ATOM 0 HB1 ALA A 114 11.286 26.755 6.741 1.00 12.07 H new ATOM 0 HB2 ALA A 114 12.529 27.105 7.658 1.00 12.07 H new ATOM 0 HB3 ALA A 114 12.567 25.825 6.727 1.00 12.07 H new ATOM 879 N CYS A 115 10.977 23.349 7.396 1.00 13.61 N ATOM 880 CA CYS A 115 10.168 22.245 6.867 1.00 14.58 C ATOM 881 C CYS A 115 9.397 21.508 7.965 1.00 15.04 C ATOM 882 O CYS A 115 8.252 21.079 7.744 1.00 15.06 O ATOM 883 CB CYS A 115 11.040 21.266 6.074 1.00 14.78 C ATOM 884 SG CYS A 115 11.680 21.965 4.557 1.00 15.56 S ATOM 0 H CYS A 115 11.825 23.205 7.373 1.00 13.61 H new ATOM 0 HA CYS A 115 9.511 22.637 6.270 1.00 14.58 H new ATOM 0 HB2 CYS A 115 11.782 20.979 6.630 1.00 14.78 H new ATOM 0 HB3 CYS A 115 10.520 20.475 5.865 1.00 14.78 H new ATOM 0 HG CYS A 115 12.594 22.700 4.809 1.00 15.56 H new ATOM 885 N GLU A 116 10.035 21.369 9.126 1.00 15.41 N ATOM 886 CA GLU A 116 9.409 20.792 10.319 1.00 17.04 C ATOM 887 C GLU A 116 8.130 21.555 10.679 1.00 16.40 C ATOM 888 O GLU A 116 7.109 20.945 11.012 1.00 16.48 O ATOM 889 CB GLU A 116 10.397 20.812 11.494 1.00 17.11 C ATOM 890 CG GLU A 116 9.906 20.117 12.772 1.00 19.51 C ATOM 891 CD GLU A 116 10.793 20.396 13.997 1.00 21.25 C ATOM 892 OE1 GLU A 116 11.994 20.746 13.848 1.00 26.50 O ATOM 893 OE2 GLU A 116 10.278 20.262 15.134 1.00 27.83 O ATOM 0 H GLU A 116 10.852 21.609 9.246 1.00 15.41 H new ATOM 0 HA GLU A 116 9.169 19.871 10.129 1.00 17.04 H new ATOM 0 HB2 GLU A 116 11.223 20.390 11.211 1.00 17.11 H new ATOM 0 HB3 GLU A 116 10.608 21.735 11.705 1.00 17.11 H new ATOM 0 HG2 GLU A 116 9.001 20.408 12.963 1.00 19.51 H new ATOM 0 HG3 GLU A 116 9.870 19.160 12.618 1.00 19.51 H new ATOM 894 N LEU A 117 8.183 22.885 10.591 1.00 16.24 N ATOM 895 CA LEU A 117 7.012 23.735 10.853 1.00 16.47 C ATOM 896 C LEU A 117 5.864 23.456 9.890 1.00 17.37 C ATOM 897 O LEU A 117 4.688 23.675 10.211 1.00 17.24 O ATOM 898 CB LEU A 117 7.396 25.215 10.774 1.00 16.19 C ATOM 899 CG LEU A 117 8.323 25.722 11.881 1.00 15.37 C ATOM 900 CD1 LEU A 117 8.702 27.178 11.596 1.00 14.86 C ATOM 901 CD2 LEU A 117 7.707 25.568 13.273 1.00 16.49 C ATOM 0 H LEU A 117 8.894 23.321 10.379 1.00 16.24 H new ATOM 0 HA LEU A 117 6.706 23.521 11.748 1.00 16.47 H new ATOM 0 HB2 LEU A 117 7.824 25.376 9.918 1.00 16.19 H new ATOM 0 HB3 LEU A 117 6.583 25.744 10.789 1.00 16.19 H new ATOM 0 HG LEU A 117 9.124 25.175 11.881 1.00 15.37 H new ATOM 0 HD11 LEU A 117 9.290 27.503 12.296 1.00 14.86 H new ATOM 0 HD12 LEU A 117 9.157 27.233 10.741 1.00 14.86 H new ATOM 0 HD13 LEU A 117 7.900 27.722 11.570 1.00 14.86 H new ATOM 0 HD21 LEU A 117 8.327 25.901 13.940 1.00 16.49 H new ATOM 0 HD22 LEU A 117 6.881 26.074 13.319 1.00 16.49 H new ATOM 0 HD23 LEU A 117 7.522 24.631 13.443 1.00 16.49 H new ATOM 902 N GLU A 118 6.218 22.960 8.713 1.00 18.61 N ATOM 903 CA GLU A 118 5.250 22.656 7.668 1.00 20.78 C ATOM 904 C GLU A 118 4.767 21.214 7.758 1.00 22.22 C ATOM 905 O GLU A 118 3.942 20.781 6.954 1.00 23.36 O ATOM 906 CB GLU A 118 5.876 22.909 6.306 1.00 20.70 C ATOM 907 CG GLU A 118 6.283 24.342 6.093 1.00 20.99 C ATOM 908 CD GLU A 118 7.092 24.529 4.834 1.00 23.70 C ATOM 909 OE1 GLU A 118 7.454 23.514 4.196 1.00 25.39 O ATOM 910 OE2 GLU A 118 7.361 25.694 4.490 1.00 23.49 O ATOM 0 H GLU A 118 7.032 22.789 8.496 1.00 18.61 H new ATOM 0 HA GLU A 118 4.481 23.235 7.789 1.00 20.78 H new ATOM 0 HB2 GLU A 118 6.655 22.340 6.205 1.00 20.70 H new ATOM 0 HB3 GLU A 118 5.246 22.653 5.615 1.00 20.70 H new ATOM 0 HG2 GLU A 118 5.489 24.898 6.050 1.00 20.99 H new ATOM 0 HG3 GLU A 118 6.801 24.645 6.855 1.00 20.99 H new ATOM 911 N GLY A 119 5.291 20.475 8.729 1.00 23.35 N ATOM 912 CA GLY A 119 4.849 19.108 8.977 1.00 25.04 C ATOM 913 C GLY A 119 5.741 18.002 8.440 1.00 26.18 C ATOM 914 O GLY A 119 5.414 16.830 8.608 1.00 26.47 O ATOM 0 H GLY A 119 5.909 20.750 9.260 1.00 23.35 H new ATOM 0 HA2 GLY A 119 4.758 18.987 9.935 1.00 25.04 H new ATOM 0 HA3 GLY A 119 3.965 19.000 8.592 1.00 25.04 H new ATOM 915 N ASN A 120 6.856 18.357 7.796 1.00 27.11 N ATOM 916 CA ASN A 120 7.798 17.357 7.263 1.00 28.09 C ATOM 917 C ASN A 120 9.211 17.890 7.010 1.00 28.03 C ATOM 918 O ASN A 120 9.504 18.410 5.924 1.00 28.20 O ATOM 919 CB ASN A 120 7.237 16.705 5.985 1.00 28.61 C ATOM 920 CG ASN A 120 8.054 15.490 5.518 1.00 30.44 C ATOM 921 OD1 ASN A 120 9.059 15.110 6.128 1.00 32.51 O ATOM 922 ND2 ASN A 120 7.612 14.880 4.418 1.00 32.14 N ATOM 0 H ASN A 120 7.089 19.173 7.655 1.00 27.11 H new ATOM 0 HA ASN A 120 7.887 16.691 7.962 1.00 28.09 H new ATOM 0 HB2 ASN A 120 6.321 16.430 6.145 1.00 28.61 H new ATOM 0 HB3 ASN A 120 7.215 17.365 5.275 1.00 28.61 H new ATOM 0 HD21 ASN A 120 8.030 14.195 4.108 1.00 32.14 H new ATOM 0 HD22 ASN A 120 6.909 15.171 4.018 1.00 32.14 H new ATOM 923 N SER A 121 10.086 17.718 8.001 1.00 28.14 N ATOM 924 CA SER A 121 11.483 18.167 7.915 1.00 28.35 C ATOM 925 C SER A 121 12.307 17.418 6.858 1.00 28.06 C ATOM 926 O SER A 121 13.406 17.856 6.496 1.00 28.21 O ATOM 927 CB SER A 121 12.169 18.074 9.285 1.00 28.72 C ATOM 928 OG SER A 121 12.313 16.723 9.707 1.00 30.26 O ATOM 0 H SER A 121 9.888 17.337 8.746 1.00 28.14 H new ATOM 0 HA SER A 121 11.447 19.094 7.630 1.00 28.35 H new ATOM 0 HB2 SER A 121 13.042 18.495 9.240 1.00 28.72 H new ATOM 0 HB3 SER A 121 11.651 18.565 9.941 1.00 28.72 H new ATOM 0 HG SER A 121 12.692 16.702 10.457 1.00 30.26 H new ATOM 929 N GLY A 122 11.770 16.306 6.359 1.00 27.35 N ATOM 930 CA GLY A 122 12.468 15.487 5.369 1.00 26.72 C ATOM 931 C GLY A 122 12.526 16.091 3.974 1.00 26.27 C ATOM 932 O GLY A 122 13.351 15.687 3.153 1.00 26.82 O ATOM 0 H GLY A 122 10.996 16.006 6.583 1.00 27.35 H new ATOM 0 HA2 GLY A 122 13.374 15.329 5.678 1.00 26.72 H new ATOM 0 HA3 GLY A 122 12.031 14.622 5.316 1.00 26.72 H new ATOM 933 N ARG A 123 11.651 17.054 3.694 1.00 25.28 N ATOM 934 CA ARG A 123 11.606 17.679 2.371 1.00 24.35 C ATOM 935 C ARG A 123 12.539 18.902 2.279 1.00 22.46 C ATOM 936 O ARG A 123 12.294 19.824 1.497 1.00 21.44 O ATOM 937 CB ARG A 123 10.168 18.076 2.023 1.00 24.62 C ATOM 938 CG ARG A 123 9.229 16.912 1.714 1.00 26.71 C ATOM 939 CD ARG A 123 7.805 17.418 1.463 1.00 27.19 C ATOM 940 NE ARG A 123 7.717 18.286 0.286 1.00 33.00 N ATOM 941 CZ ARG A 123 6.591 18.830 -0.179 1.00 35.16 C ATOM 942 NH1 ARG A 123 5.425 18.606 0.425 1.00 36.20 N ATOM 943 NH2 ARG A 123 6.628 19.603 -1.256 1.00 36.73 N ATOM 0 H ARG A 123 11.075 17.360 4.254 1.00 25.28 H new ATOM 0 HA ARG A 123 11.922 17.026 1.727 1.00 24.35 H new ATOM 0 HB2 ARG A 123 9.799 18.582 2.764 1.00 24.62 H new ATOM 0 HB3 ARG A 123 10.188 18.669 1.256 1.00 24.62 H new ATOM 0 HG2 ARG A 123 9.548 16.431 0.935 1.00 26.71 H new ATOM 0 HG3 ARG A 123 9.229 16.285 2.454 1.00 26.71 H new ATOM 0 HD2 ARG A 123 7.211 16.660 1.347 1.00 27.19 H new ATOM 0 HD3 ARG A 123 7.495 17.904 2.243 1.00 27.19 H new ATOM 0 HE ARG A 123 8.446 18.458 -0.137 1.00 33.00 H new ATOM 0 HH11 ARG A 123 5.392 18.105 1.124 1.00 36.20 H new ATOM 0 HH12 ARG A 123 4.706 18.962 0.116 1.00 36.20 H new ATOM 0 HH21 ARG A 123 7.376 19.752 -1.653 1.00 36.73 H new ATOM 0 HH22 ARG A 123 5.904 19.955 -1.558 1.00 36.73 H new ATOM 944 N TRP A 124 13.610 18.896 3.069 1.00 20.80 N ATOM 945 CA TRP A 124 14.487 20.068 3.179 1.00 19.44 C ATOM 946 C TRP A 124 15.235 20.403 1.882 1.00 18.81 C ATOM 947 O TRP A 124 15.362 21.570 1.522 1.00 17.68 O ATOM 948 CB TRP A 124 15.443 19.938 4.376 1.00 19.68 C ATOM 949 CG TRP A 124 16.446 18.827 4.254 1.00 19.66 C ATOM 950 CD1 TRP A 124 16.287 17.528 4.647 1.00 20.27 C ATOM 951 CD2 TRP A 124 17.765 18.924 3.707 1.00 19.94 C ATOM 952 NE1 TRP A 124 17.429 16.808 4.379 1.00 19.94 N ATOM 953 CE2 TRP A 124 18.350 17.640 3.799 1.00 20.40 C ATOM 954 CE3 TRP A 124 18.509 19.969 3.144 1.00 19.38 C ATOM 955 CZ2 TRP A 124 19.643 17.374 3.346 1.00 20.47 C ATOM 956 CZ3 TRP A 124 19.791 19.704 2.690 1.00 20.42 C ATOM 957 CH2 TRP A 124 20.349 18.416 2.803 1.00 20.09 C ATOM 0 H TRP A 124 13.849 18.225 3.551 1.00 20.80 H new ATOM 0 HA TRP A 124 13.903 20.826 3.341 1.00 19.44 H new ATOM 0 HB2 TRP A 124 15.918 20.776 4.489 1.00 19.68 H new ATOM 0 HB3 TRP A 124 14.919 19.799 5.180 1.00 19.68 H new ATOM 0 HD1 TRP A 124 15.518 17.181 5.039 1.00 20.27 H new ATOM 0 HE1 TRP A 124 17.545 15.973 4.548 1.00 19.94 H new ATOM 0 HE3 TRP A 124 18.149 20.824 3.076 1.00 19.38 H new ATOM 0 HZ2 TRP A 124 20.011 16.523 3.410 1.00 20.47 H new ATOM 0 HZ3 TRP A 124 20.291 20.387 2.305 1.00 20.42 H new ATOM 0 HH2 TRP A 124 21.217 18.269 2.502 1.00 20.09 H new ATOM 958 N GLU A 125 15.714 19.389 1.160 1.00 18.19 N ATOM 959 CA GLU A 125 16.397 19.663 -0.111 1.00 18.28 C ATOM 960 C GLU A 125 15.472 20.331 -1.122 1.00 17.50 C ATOM 961 O GLU A 125 15.880 21.249 -1.834 1.00 17.04 O ATOM 962 CB GLU A 125 16.987 18.388 -0.707 1.00 18.73 C ATOM 963 CG GLU A 125 18.231 17.932 -0.007 1.00 21.80 C ATOM 964 CD GLU A 125 18.816 16.691 -0.636 1.00 24.64 C ATOM 965 OE1 GLU A 125 18.097 15.673 -0.723 1.00 28.91 O ATOM 966 OE2 GLU A 125 19.992 16.739 -1.037 1.00 25.13 O ATOM 0 H GLU A 125 15.658 18.559 1.377 1.00 18.19 H new ATOM 0 HA GLU A 125 17.120 20.279 0.088 1.00 18.28 H new ATOM 0 HB2 GLU A 125 16.323 17.682 -0.668 1.00 18.73 H new ATOM 0 HB3 GLU A 125 17.186 18.538 -1.644 1.00 18.73 H new ATOM 0 HG2 GLU A 125 18.890 18.644 -0.025 1.00 21.80 H new ATOM 0 HG3 GLU A 125 18.030 17.756 0.925 1.00 21.80 H new ATOM 967 N GLU A 126 14.223 19.864 -1.169 1.00 17.13 N ATOM 968 CA GLU A 126 13.199 20.436 -2.028 1.00 17.85 C ATOM 969 C GLU A 126 12.969 21.923 -1.695 1.00 16.10 C ATOM 970 O GLU A 126 12.893 22.758 -2.596 1.00 15.47 O ATOM 971 CB GLU A 126 11.903 19.628 -1.884 1.00 17.56 C ATOM 972 CG GLU A 126 10.760 20.049 -2.799 1.00 21.18 C ATOM 973 CD GLU A 126 9.560 19.113 -2.688 1.00 22.10 C ATOM 974 OE1 GLU A 126 9.710 18.002 -2.116 1.00 27.57 O ATOM 975 OE2 GLU A 126 8.472 19.485 -3.184 1.00 27.57 O ATOM 0 H GLU A 126 13.949 19.200 -0.697 1.00 17.13 H new ATOM 0 HA GLU A 126 13.496 20.390 -2.950 1.00 17.85 H new ATOM 0 HB2 GLU A 126 12.103 18.694 -2.052 1.00 17.56 H new ATOM 0 HB3 GLU A 126 11.601 19.693 -0.965 1.00 17.56 H new ATOM 0 HG2 GLU A 126 10.485 20.952 -2.577 1.00 21.18 H new ATOM 0 HG3 GLU A 126 11.072 20.065 -3.717 1.00 21.18 H new ATOM 976 N LYS A 127 12.881 22.247 -0.405 1.00 15.15 N ATOM 977 CA LYS A 127 12.698 23.645 -0.001 1.00 14.80 C ATOM 978 C LYS A 127 13.926 24.485 -0.357 1.00 13.83 C ATOM 979 O LYS A 127 13.795 25.585 -0.902 1.00 13.67 O ATOM 980 CB LYS A 127 12.411 23.769 1.491 1.00 14.84 C ATOM 981 CG LYS A 127 12.333 25.250 1.952 1.00 15.63 C ATOM 982 CD LYS A 127 11.774 25.410 3.362 1.00 16.15 C ATOM 983 CE LYS A 127 10.281 25.090 3.420 1.00 15.93 C ATOM 984 NZ LYS A 127 9.369 26.041 2.700 1.00 13.34 N ATOM 0 H LYS A 127 12.924 21.684 0.244 1.00 15.15 H new ATOM 0 HA LYS A 127 11.930 23.980 -0.490 1.00 14.80 H new ATOM 0 HB2 LYS A 127 11.574 23.324 1.696 1.00 14.84 H new ATOM 0 HB3 LYS A 127 13.105 23.312 1.991 1.00 14.84 H new ATOM 0 HG2 LYS A 127 13.220 25.641 1.915 1.00 15.63 H new ATOM 0 HG3 LYS A 127 11.777 25.747 1.331 1.00 15.63 H new ATOM 0 HD2 LYS A 127 12.254 24.825 3.969 1.00 16.15 H new ATOM 0 HD3 LYS A 127 11.922 26.319 3.668 1.00 16.15 H new ATOM 0 HE2 LYS A 127 10.145 24.202 3.054 1.00 15.93 H new ATOM 0 HE3 LYS A 127 10.013 25.057 4.352 1.00 15.93 H new ATOM 0 HZ1 LYS A 127 8.579 26.062 3.109 1.00 13.34 H new ATOM 0 HZ2 LYS A 127 9.727 26.856 2.704 1.00 13.34 H new ATOM 0 HZ3 LYS A 127 9.260 25.769 1.860 1.00 13.34 H new ATOM 985 N GLU A 128 15.107 23.964 -0.034 1.00 13.51 N ATOM 986 CA GLU A 128 16.362 24.644 -0.342 1.00 13.27 C ATOM 987 C GLU A 128 16.390 25.052 -1.820 1.00 12.84 C ATOM 988 O GLU A 128 16.630 26.224 -2.149 1.00 12.89 O ATOM 989 CB GLU A 128 17.544 23.731 -0.009 1.00 13.92 C ATOM 990 CG GLU A 128 18.892 24.387 -0.115 1.00 15.59 C ATOM 991 CD GLU A 128 20.041 23.381 -0.175 1.00 17.14 C ATOM 992 OE1 GLU A 128 20.126 22.498 0.700 1.00 19.68 O ATOM 993 OE2 GLU A 128 20.874 23.487 -1.092 1.00 19.39 O ATOM 0 H GLU A 128 15.203 23.210 0.368 1.00 13.51 H new ATOM 0 HA GLU A 128 16.431 25.447 0.198 1.00 13.27 H new ATOM 0 HB2 GLU A 128 17.432 23.393 0.893 1.00 13.92 H new ATOM 0 HB3 GLU A 128 17.523 22.965 -0.603 1.00 13.92 H new ATOM 0 HG2 GLU A 128 18.914 24.944 -0.909 1.00 15.59 H new ATOM 0 HG3 GLU A 128 19.022 24.974 0.646 1.00 15.59 H new ATOM 994 N GLU A 129 16.123 24.094 -2.709 1.00 12.32 N ATOM 995 CA GLU A 129 16.156 24.373 -4.153 1.00 12.34 C ATOM 996 C GLU A 129 15.009 25.268 -4.620 1.00 12.30 C ATOM 997 O GLU A 129 15.180 26.065 -5.552 1.00 12.31 O ATOM 998 CB GLU A 129 16.209 23.079 -4.980 1.00 12.65 C ATOM 999 CG GLU A 129 17.372 22.162 -4.630 1.00 12.17 C ATOM 1000 CD GLU A 129 18.754 22.690 -5.013 1.00 12.80 C ATOM 1001 OE1 GLU A 129 18.891 23.849 -5.462 1.00 13.64 O ATOM 1002 OE2 GLU A 129 19.727 21.923 -4.850 1.00 12.91 O ATOM 0 H GLU A 129 15.922 23.283 -2.503 1.00 12.32 H new ATOM 0 HA GLU A 129 16.976 24.868 -4.306 1.00 12.34 H new ATOM 0 HB2 GLU A 129 15.379 22.593 -4.856 1.00 12.65 H new ATOM 0 HB3 GLU A 129 16.264 23.310 -5.920 1.00 12.65 H new ATOM 0 HG2 GLU A 129 17.358 21.996 -3.674 1.00 12.17 H new ATOM 0 HG3 GLU A 129 17.235 21.308 -5.068 1.00 12.17 H new ATOM 1003 N LYS A 130 13.842 25.135 -3.983 1.00 11.83 N ATOM 1004 CA LYS A 130 12.706 25.997 -4.300 1.00 11.57 C ATOM 1005 C LYS A 130 13.034 27.467 -3.998 1.00 11.39 C ATOM 1006 O LYS A 130 12.775 28.353 -4.820 1.00 11.55 O ATOM 1007 CB LYS A 130 11.448 25.553 -3.555 1.00 11.41 C ATOM 1008 CG LYS A 130 10.202 26.295 -4.014 1.00 12.47 C ATOM 1009 CD LYS A 130 8.985 25.780 -3.272 1.00 14.16 C ATOM 1010 CE LYS A 130 7.697 26.312 -3.854 1.00 15.90 C ATOM 1011 NZ LYS A 130 6.528 25.686 -3.150 1.00 16.48 N ATOM 0 H LYS A 130 13.691 24.554 -3.367 1.00 11.83 H new ATOM 0 HA LYS A 130 12.529 25.917 -5.250 1.00 11.57 H new ATOM 0 HB2 LYS A 130 11.319 24.600 -3.685 1.00 11.41 H new ATOM 0 HB3 LYS A 130 11.573 25.695 -2.604 1.00 11.41 H new ATOM 0 HG2 LYS A 130 10.307 27.246 -3.856 1.00 12.47 H new ATOM 0 HG3 LYS A 130 10.081 26.178 -4.969 1.00 12.47 H new ATOM 0 HD2 LYS A 130 8.976 24.811 -3.302 1.00 14.16 H new ATOM 0 HD3 LYS A 130 9.046 26.034 -2.338 1.00 14.16 H new ATOM 0 HE2 LYS A 130 7.664 27.277 -3.760 1.00 15.90 H new ATOM 0 HE3 LYS A 130 7.656 26.118 -4.803 1.00 15.90 H new ATOM 0 HZ1 LYS A 130 5.774 26.064 -3.433 1.00 16.48 H new ATOM 0 HZ2 LYS A 130 6.507 24.814 -3.326 1.00 16.48 H new ATOM 0 HZ3 LYS A 130 6.609 25.809 -2.272 1.00 16.48 H new ATOM 1012 N LEU A 131 13.614 27.722 -2.831 1.00 11.20 N ATOM 1013 CA LEU A 131 14.058 29.084 -2.508 1.00 11.04 C ATOM 1014 C LEU A 131 15.094 29.589 -3.522 1.00 11.19 C ATOM 1015 O LEU A 131 14.974 30.679 -4.088 1.00 11.17 O ATOM 1016 CB LEU A 131 14.633 29.133 -1.098 1.00 10.65 C ATOM 1017 CG LEU A 131 15.256 30.477 -0.715 1.00 10.46 C ATOM 1018 CD1 LEU A 131 14.249 31.644 -0.963 1.00 9.55 C ATOM 1019 CD2 LEU A 131 15.711 30.426 0.709 1.00 9.80 C ATOM 0 H LEU A 131 13.760 27.136 -2.219 1.00 11.20 H new ATOM 0 HA LEU A 131 13.285 29.668 -2.554 1.00 11.04 H new ATOM 0 HB2 LEU A 131 13.928 28.924 -0.466 1.00 10.65 H new ATOM 0 HB3 LEU A 131 15.306 28.440 -1.011 1.00 10.65 H new ATOM 0 HG LEU A 131 16.029 30.647 -1.276 1.00 10.46 H new ATOM 0 HD11 LEU A 131 14.662 32.486 -0.715 1.00 9.55 H new ATOM 0 HD12 LEU A 131 14.006 31.668 -1.902 1.00 9.55 H new ATOM 0 HD13 LEU A 131 13.453 31.504 -0.427 1.00 9.55 H new ATOM 0 HD21 LEU A 131 16.106 31.277 0.953 1.00 9.80 H new ATOM 0 HD22 LEU A 131 14.952 30.245 1.285 1.00 9.80 H new ATOM 0 HD23 LEU A 131 16.370 29.722 0.813 1.00 9.80 H new ATOM 1020 N ARG A 132 16.115 28.775 -3.755 1.00 11.56 N ATOM 1021 CA ARG A 132 17.184 29.139 -4.671 1.00 12.53 C ATOM 1022 C ARG A 132 16.594 29.538 -6.027 1.00 12.45 C ATOM 1023 O ARG A 132 16.983 30.565 -6.600 1.00 13.25 O ATOM 1024 CB ARG A 132 18.158 27.953 -4.765 1.00 12.38 C ATOM 1025 CG ARG A 132 19.445 28.220 -5.480 1.00 13.74 C ATOM 1026 CD ARG A 132 20.396 27.033 -5.298 1.00 11.95 C ATOM 1027 NE ARG A 132 21.218 27.136 -4.083 1.00 10.67 N ATOM 1028 CZ ARG A 132 21.244 26.228 -3.102 1.00 11.10 C ATOM 1029 NH1 ARG A 132 20.511 25.121 -3.190 1.00 12.59 N ATOM 1030 NH2 ARG A 132 22.037 26.404 -2.042 1.00 12.04 N ATOM 0 H ARG A 132 16.207 28.002 -3.389 1.00 11.56 H new ATOM 0 HA ARG A 132 17.677 29.910 -4.350 1.00 12.53 H new ATOM 0 HB2 ARG A 132 18.364 27.654 -3.866 1.00 12.38 H new ATOM 0 HB3 ARG A 132 17.706 27.220 -5.211 1.00 12.38 H new ATOM 0 HG2 ARG A 132 19.276 28.368 -6.424 1.00 13.74 H new ATOM 0 HG3 ARG A 132 19.854 29.029 -5.135 1.00 13.74 H new ATOM 0 HD2 ARG A 132 19.879 26.213 -5.264 1.00 11.95 H new ATOM 0 HD3 ARG A 132 20.978 26.970 -6.072 1.00 11.95 H new ATOM 0 HE ARG A 132 21.718 27.830 -3.997 1.00 10.67 H new ATOM 0 HH11 ARG A 132 20.017 24.986 -3.881 1.00 12.59 H new ATOM 0 HH12 ARG A 132 20.531 24.540 -2.556 1.00 12.59 H new ATOM 0 HH21 ARG A 132 22.534 27.104 -1.988 1.00 12.04 H new ATOM 0 HH22 ARG A 132 22.051 25.818 -1.413 1.00 12.04 H new ATOM 1031 N ALA A 133 15.608 28.773 -6.511 1.00 12.52 N ATOM 1032 CA ALA A 133 14.967 29.055 -7.799 1.00 12.67 C ATOM 1033 C ALA A 133 14.142 30.353 -7.772 1.00 12.40 C ATOM 1034 O ALA A 133 14.083 31.078 -8.767 1.00 13.36 O ATOM 1035 CB ALA A 133 14.091 27.867 -8.252 1.00 13.21 C ATOM 0 H ALA A 133 15.295 28.082 -6.105 1.00 12.52 H new ATOM 0 HA ALA A 133 15.680 29.181 -8.444 1.00 12.67 H new ATOM 0 HB1 ALA A 133 13.678 28.076 -9.104 1.00 13.21 H new ATOM 0 HB2 ALA A 133 14.643 27.075 -8.346 1.00 13.21 H new ATOM 0 HB3 ALA A 133 13.401 27.703 -7.590 1.00 13.21 H new ATOM 1036 N ALA A 134 13.536 30.651 -6.622 1.00 11.89 N ATOM 1037 CA ALA A 134 12.662 31.817 -6.479 1.00 11.45 C ATOM 1038 C ALA A 134 13.434 33.136 -6.422 1.00 11.01 C ATOM 1039 O ALA A 134 12.888 34.190 -6.779 1.00 10.76 O ATOM 1040 CB ALA A 134 11.763 31.673 -5.253 1.00 11.51 C ATOM 0 H ALA A 134 13.620 30.184 -5.905 1.00 11.89 H new ATOM 0 HA ALA A 134 12.111 31.847 -7.277 1.00 11.45 H new ATOM 0 HB1 ALA A 134 11.193 32.454 -5.176 1.00 11.51 H new ATOM 0 HB2 ALA A 134 11.213 30.880 -5.346 1.00 11.51 H new ATOM 0 HB3 ALA A 134 12.311 31.594 -4.457 1.00 11.51 H new ATOM 1041 N VAL A 135 14.685 33.082 -5.956 1.00 10.27 N ATOM 1042 CA VAL A 135 15.515 34.292 -5.852 1.00 10.52 C ATOM 1043 C VAL A 135 16.021 34.659 -7.242 1.00 11.06 C ATOM 1044 O VAL A 135 16.858 33.941 -7.828 1.00 11.33 O ATOM 1045 CB VAL A 135 16.695 34.134 -4.867 1.00 10.54 C ATOM 1046 CG1 VAL A 135 17.548 35.406 -4.846 1.00 10.94 C ATOM 1047 CG2 VAL A 135 16.194 33.796 -3.464 1.00 9.75 C ATOM 0 H VAL A 135 15.072 32.359 -5.696 1.00 10.27 H new ATOM 0 HA VAL A 135 14.962 35.004 -5.493 1.00 10.52 H new ATOM 0 HB VAL A 135 17.248 33.398 -5.172 1.00 10.54 H new ATOM 0 HG11 VAL A 135 18.284 35.292 -4.224 1.00 10.94 H new ATOM 0 HG12 VAL A 135 17.899 35.575 -5.734 1.00 10.94 H new ATOM 0 HG13 VAL A 135 17.002 36.157 -4.566 1.00 10.94 H new ATOM 0 HG21 VAL A 135 16.950 33.702 -2.864 1.00 9.75 H new ATOM 0 HG22 VAL A 135 15.617 34.508 -3.146 1.00 9.75 H new ATOM 0 HG23 VAL A 135 15.697 32.964 -3.490 1.00 9.75 H new ATOM 1048 N LYS A 136 15.498 35.767 -7.766 1.00 10.55 N ATOM 1049 CA LYS A 136 15.754 36.168 -9.158 1.00 10.52 C ATOM 1050 C LYS A 136 16.934 37.129 -9.301 1.00 10.59 C ATOM 1051 O LYS A 136 17.537 37.238 -10.368 1.00 10.42 O ATOM 1052 CB LYS A 136 14.499 36.804 -9.775 1.00 10.84 C ATOM 1053 CG LYS A 136 13.217 35.959 -9.715 1.00 10.66 C ATOM 1054 CD LYS A 136 13.415 34.514 -10.172 1.00 11.22 C ATOM 1055 CE LYS A 136 12.096 33.750 -10.137 1.00 10.59 C ATOM 1056 NZ LYS A 136 12.246 32.315 -10.548 1.00 11.89 N ATOM 0 H LYS A 136 14.988 36.306 -7.332 1.00 10.55 H new ATOM 0 HA LYS A 136 15.985 35.355 -9.634 1.00 10.52 H new ATOM 0 HB2 LYS A 136 14.331 37.647 -9.326 1.00 10.84 H new ATOM 0 HB3 LYS A 136 14.686 37.010 -10.704 1.00 10.84 H new ATOM 0 HG2 LYS A 136 12.881 35.959 -8.805 1.00 10.66 H new ATOM 0 HG3 LYS A 136 12.538 36.375 -10.269 1.00 10.66 H new ATOM 0 HD2 LYS A 136 13.777 34.502 -11.072 1.00 11.22 H new ATOM 0 HD3 LYS A 136 14.063 34.075 -9.599 1.00 11.22 H new ATOM 0 HE2 LYS A 136 11.728 33.789 -9.240 1.00 10.59 H new ATOM 0 HE3 LYS A 136 11.459 34.186 -10.724 1.00 10.59 H new ATOM 0 HZ1 LYS A 136 11.447 31.923 -10.554 1.00 11.89 H new ATOM 0 HZ2 LYS A 136 12.602 32.275 -11.363 1.00 11.89 H new ATOM 0 HZ3 LYS A 136 12.778 31.895 -9.971 1.00 11.89 H new ATOM 1057 N ARG A 137 17.242 37.857 -8.233 1.00 9.98 N ATOM 1058 CA ARG A 137 18.275 38.885 -8.299 1.00 10.15 C ATOM 1059 C ARG A 137 18.747 39.228 -6.901 1.00 9.80 C ATOM 1060 O ARG A 137 17.990 39.093 -5.930 1.00 9.99 O ATOM 1061 CB ARG A 137 17.757 40.158 -8.999 1.00 10.27 C ATOM 1062 CG ARG A 137 16.571 40.825 -8.300 1.00 10.00 C ATOM 1063 CD ARG A 137 15.807 41.757 -9.243 1.00 11.27 C ATOM 1064 NE ARG A 137 15.075 41.042 -10.295 1.00 11.45 N ATOM 1065 CZ ARG A 137 13.928 40.383 -10.109 1.00 12.47 C ATOM 1066 NH1 ARG A 137 13.374 40.320 -8.901 1.00 12.04 N ATOM 1067 NH2 ARG A 137 13.325 39.778 -11.135 1.00 11.40 N ATOM 0 H ARG A 137 16.867 37.772 -7.464 1.00 9.98 H new ATOM 0 HA ARG A 137 19.015 38.534 -8.819 1.00 10.15 H new ATOM 0 HB2 ARG A 137 18.483 40.798 -9.061 1.00 10.27 H new ATOM 0 HB3 ARG A 137 17.499 39.933 -9.906 1.00 10.27 H new ATOM 0 HG2 ARG A 137 15.970 40.143 -7.962 1.00 10.00 H new ATOM 0 HG3 ARG A 137 16.888 41.329 -7.534 1.00 10.00 H new ATOM 0 HD2 ARG A 137 15.182 42.289 -8.726 1.00 11.27 H new ATOM 0 HD3 ARG A 137 16.432 42.374 -9.654 1.00 11.27 H new ATOM 0 HE ARG A 137 15.408 41.048 -11.088 1.00 11.45 H new ATOM 0 HH11 ARG A 137 13.754 40.705 -8.233 1.00 12.04 H new ATOM 0 HH12 ARG A 137 12.635 39.894 -8.788 1.00 12.04 H new ATOM 0 HH21 ARG A 137 13.675 39.811 -11.920 1.00 11.40 H new ATOM 0 HH22 ARG A 137 12.587 39.355 -11.011 1.00 11.40 H new ATOM 1068 N VAL A 138 20.005 39.648 -6.821 1.00 9.24 N ATOM 1069 CA VAL A 138 20.613 40.153 -5.587 1.00 9.34 C ATOM 1070 C VAL A 138 21.127 41.570 -5.869 1.00 10.02 C ATOM 1071 O VAL A 138 21.978 41.764 -6.762 1.00 10.23 O ATOM 1072 CB VAL A 138 21.774 39.247 -5.109 1.00 9.51 C ATOM 1073 CG1 VAL A 138 22.410 39.818 -3.843 1.00 10.07 C ATOM 1074 CG2 VAL A 138 21.262 37.815 -4.881 1.00 8.78 C ATOM 0 H VAL A 138 20.542 39.649 -7.493 1.00 9.24 H new ATOM 0 HA VAL A 138 19.951 40.159 -4.878 1.00 9.34 H new ATOM 0 HB VAL A 138 22.459 39.218 -5.796 1.00 9.51 H new ATOM 0 HG11 VAL A 138 23.135 39.241 -3.556 1.00 10.07 H new ATOM 0 HG12 VAL A 138 22.757 40.705 -4.027 1.00 10.07 H new ATOM 0 HG13 VAL A 138 21.743 39.872 -3.141 1.00 10.07 H new ATOM 0 HG21 VAL A 138 21.994 37.253 -4.582 1.00 8.78 H new ATOM 0 HG22 VAL A 138 20.565 37.824 -4.206 1.00 8.78 H new ATOM 0 HG23 VAL A 138 20.903 37.463 -5.711 1.00 8.78 H new ATOM 1075 N LEU A 139 20.599 42.550 -5.127 1.00 9.47 N ATOM 1076 CA LEU A 139 20.837 43.968 -5.430 1.00 10.05 C ATOM 1077 C LEU A 139 21.421 44.758 -4.261 1.00 10.26 C ATOM 1078 O LEU A 139 21.200 44.440 -3.091 1.00 9.68 O ATOM 1079 CB LEU A 139 19.519 44.646 -5.845 1.00 10.43 C ATOM 1080 CG LEU A 139 18.788 44.072 -7.066 1.00 11.37 C ATOM 1081 CD1 LEU A 139 17.462 44.826 -7.253 1.00 10.80 C ATOM 1082 CD2 LEU A 139 19.636 44.162 -8.322 1.00 12.88 C ATOM 0 H LEU A 139 20.098 42.414 -4.441 1.00 9.47 H new ATOM 0 HA LEU A 139 21.488 43.975 -6.149 1.00 10.05 H new ATOM 0 HB2 LEU A 139 18.913 44.612 -5.089 1.00 10.43 H new ATOM 0 HB3 LEU A 139 19.704 45.582 -6.018 1.00 10.43 H new ATOM 0 HG LEU A 139 18.613 43.131 -6.910 1.00 11.37 H new ATOM 0 HD11 LEU A 139 16.993 44.469 -8.023 1.00 10.80 H new ATOM 0 HD12 LEU A 139 16.913 44.716 -6.461 1.00 10.80 H new ATOM 0 HD13 LEU A 139 17.643 45.769 -7.393 1.00 10.80 H new ATOM 0 HD21 LEU A 139 19.145 43.791 -9.072 1.00 12.88 H new ATOM 0 HD22 LEU A 139 19.849 45.091 -8.503 1.00 12.88 H new ATOM 0 HD23 LEU A 139 20.457 43.661 -8.195 1.00 12.88 H new ATOM 1083 N LYS A 140 22.160 45.809 -4.583 1.00 11.12 N ATOM 1084 CA LYS A 140 22.537 46.796 -3.588 1.00 11.98 C ATOM 1085 C LYS A 140 21.257 47.463 -3.076 1.00 11.39 C ATOM 1086 O LYS A 140 20.300 47.642 -3.833 1.00 11.54 O ATOM 1087 CB LYS A 140 23.468 47.833 -4.238 1.00 12.96 C ATOM 1088 CG LYS A 140 23.751 49.077 -3.418 1.00 16.11 C ATOM 1089 CD LYS A 140 24.797 48.820 -2.346 1.00 19.08 C ATOM 1090 CE LYS A 140 24.988 50.067 -1.491 1.00 19.72 C ATOM 1091 NZ LYS A 140 26.286 50.049 -0.806 1.00 20.01 N ATOM 0 H LYS A 140 22.454 45.969 -5.375 1.00 11.12 H new ATOM 0 HA LYS A 140 23.007 46.384 -2.846 1.00 11.98 H new ATOM 0 HB2 LYS A 140 24.313 47.401 -4.441 1.00 12.96 H new ATOM 0 HB3 LYS A 140 23.079 48.106 -5.084 1.00 12.96 H new ATOM 0 HG2 LYS A 140 24.056 49.788 -4.003 1.00 16.11 H new ATOM 0 HG3 LYS A 140 22.930 49.384 -3.002 1.00 16.11 H new ATOM 0 HD2 LYS A 140 24.522 48.076 -1.788 1.00 19.08 H new ATOM 0 HD3 LYS A 140 25.639 48.570 -2.759 1.00 19.08 H new ATOM 0 HE2 LYS A 140 24.925 50.858 -2.050 1.00 19.72 H new ATOM 0 HE3 LYS A 140 24.275 50.125 -0.836 1.00 19.72 H new ATOM 0 HZ1 LYS A 140 26.456 50.856 -0.471 1.00 20.01 H new ATOM 0 HZ2 LYS A 140 26.265 49.452 -0.146 1.00 20.01 H new ATOM 0 HZ3 LYS A 140 26.925 49.828 -1.385 1.00 20.01 H new ATOM 1092 N CYS A 141 21.242 47.812 -1.794 1.00 11.26 N ATOM 1093 CA CYS A 141 20.160 48.657 -1.267 1.00 10.94 C ATOM 1094 C CYS A 141 20.681 49.596 -0.189 1.00 10.56 C ATOM 1095 O CYS A 141 21.717 49.342 0.429 1.00 11.06 O ATOM 1096 CB CYS A 141 19.009 47.811 -0.710 1.00 11.59 C ATOM 1097 SG CYS A 141 19.423 46.916 0.805 1.00 12.93 S ATOM 0 H CYS A 141 21.835 47.578 -1.217 1.00 11.26 H new ATOM 0 HA CYS A 141 19.821 49.185 -2.007 1.00 10.94 H new ATOM 0 HB2 CYS A 141 18.249 48.389 -0.536 1.00 11.59 H new ATOM 0 HB3 CYS A 141 18.732 47.173 -1.386 1.00 11.59 H new ATOM 0 HG CYS A 141 18.902 45.835 0.787 1.00 12.93 H new ATOM 1098 N ASP A 142 19.943 50.679 0.033 1.00 10.25 N ATOM 1099 CA ASP A 142 20.249 51.646 1.085 1.00 9.62 C ATOM 1100 C ASP A 142 18.922 52.246 1.520 1.00 9.50 C ATOM 1101 O ASP A 142 18.307 53.004 0.775 1.00 9.06 O ATOM 1102 CB ASP A 142 21.191 52.740 0.560 1.00 9.82 C ATOM 1103 CG ASP A 142 21.498 53.808 1.602 1.00 11.04 C ATOM 1104 OD1 ASP A 142 20.911 53.781 2.710 1.00 9.29 O ATOM 1105 OD2 ASP A 142 22.364 54.670 1.315 1.00 12.50 O ATOM 0 H ASP A 142 19.243 50.876 -0.427 1.00 10.25 H new ATOM 0 HA ASP A 142 20.700 51.218 1.830 1.00 9.62 H new ATOM 0 HB2 ASP A 142 22.021 52.332 0.267 1.00 9.82 H new ATOM 0 HB3 ASP A 142 20.791 53.159 -0.218 1.00 9.82 H new ATOM 1106 N VAL A 143 18.486 51.897 2.730 1.00 9.20 N ATOM 1107 CA VAL A 143 17.140 52.275 3.191 1.00 8.88 C ATOM 1108 C VAL A 143 16.939 53.785 3.361 1.00 8.06 C ATOM 1109 O VAL A 143 15.810 54.233 3.550 1.00 8.55 O ATOM 1110 CB VAL A 143 16.758 51.593 4.532 1.00 8.61 C ATOM 1111 CG1 VAL A 143 16.789 50.065 4.381 1.00 10.23 C ATOM 1112 CG2 VAL A 143 17.666 52.053 5.663 1.00 10.37 C ATOM 0 H VAL A 143 18.946 51.445 3.298 1.00 9.20 H new ATOM 0 HA VAL A 143 16.561 51.963 2.478 1.00 8.88 H new ATOM 0 HB VAL A 143 15.854 51.858 4.761 1.00 8.61 H new ATOM 0 HG11 VAL A 143 16.549 49.651 5.225 1.00 10.23 H new ATOM 0 HG12 VAL A 143 16.157 49.794 3.697 1.00 10.23 H new ATOM 0 HG13 VAL A 143 17.681 49.783 4.126 1.00 10.23 H new ATOM 0 HG21 VAL A 143 17.406 51.612 6.487 1.00 10.37 H new ATOM 0 HG22 VAL A 143 18.585 51.827 5.452 1.00 10.37 H new ATOM 0 HG23 VAL A 143 17.587 53.014 5.772 1.00 10.37 H new ATOM 1113 N HIS A 144 18.025 54.555 3.328 1.00 8.23 N ATOM 1114 CA HIS A 144 17.922 56.015 3.467 1.00 8.87 C ATOM 1115 C HIS A 144 17.509 56.700 2.178 1.00 8.30 C ATOM 1116 O HIS A 144 17.058 57.850 2.196 1.00 8.54 O ATOM 1117 CB HIS A 144 19.247 56.606 3.961 1.00 9.15 C ATOM 1118 CG HIS A 144 19.739 55.976 5.226 1.00 9.94 C ATOM 1119 ND1 HIS A 144 19.011 56.002 6.397 1.00 13.19 N ATOM 1120 CD2 HIS A 144 20.875 55.288 5.501 1.00 11.25 C ATOM 1121 CE1 HIS A 144 19.678 55.360 7.342 1.00 12.71 C ATOM 1122 NE2 HIS A 144 20.814 54.920 6.825 1.00 11.44 N ATOM 0 H HIS A 144 18.826 54.259 3.227 1.00 8.23 H new ATOM 0 HA HIS A 144 17.225 56.179 4.121 1.00 8.87 H new ATOM 0 HB2 HIS A 144 19.920 56.499 3.270 1.00 9.15 H new ATOM 0 HB3 HIS A 144 19.136 57.559 4.103 1.00 9.15 H new ATOM 0 HD2 HIS A 144 21.565 55.100 4.906 1.00 11.25 H new ATOM 0 HE1 HIS A 144 19.397 55.239 8.220 1.00 12.71 H new ATOM 0 HE2 HIS A 144 21.417 54.476 7.248 1.00 11.44 H new ATOM 1123 N LEU A 145 17.685 56.001 1.062 1.00 8.85 N ATOM 1124 CA LEU A 145 17.295 56.522 -0.246 1.00 9.38 C ATOM 1125 C LEU A 145 15.784 56.434 -0.437 1.00 9.27 C ATOM 1126 O LEU A 145 15.155 55.448 -0.003 1.00 9.28 O ATOM 1127 CB LEU A 145 18.001 55.748 -1.365 1.00 9.74 C ATOM 1128 CG LEU A 145 19.535 55.802 -1.427 1.00 10.76 C ATOM 1129 CD1 LEU A 145 20.011 54.935 -2.573 1.00 12.76 C ATOM 1130 CD2 LEU A 145 20.031 57.239 -1.589 1.00 12.11 C ATOM 0 H LEU A 145 18.032 55.215 1.040 1.00 8.85 H new ATOM 0 HA LEU A 145 17.562 57.454 -0.287 1.00 9.38 H new ATOM 0 HB2 LEU A 145 17.740 54.817 -1.292 1.00 9.74 H new ATOM 0 HB3 LEU A 145 17.658 56.073 -2.212 1.00 9.74 H new ATOM 0 HG LEU A 145 19.899 55.466 -0.593 1.00 10.76 H new ATOM 0 HD11 LEU A 145 20.979 54.963 -2.620 1.00 12.76 H new ATOM 0 HD12 LEU A 145 19.721 54.021 -2.429 1.00 12.76 H new ATOM 0 HD13 LEU A 145 19.638 55.265 -3.405 1.00 12.76 H new ATOM 0 HD21 LEU A 145 21.000 57.245 -1.625 1.00 12.11 H new ATOM 0 HD22 LEU A 145 19.675 57.614 -2.410 1.00 12.11 H new ATOM 0 HD23 LEU A 145 19.733 57.771 -0.835 1.00 12.11 H new ATOM 1131 N GLY A 146 15.208 57.442 -1.101 1.00 9.12 N ATOM 1132 CA GLY A 146 13.767 57.455 -1.405 1.00 9.67 C ATOM 1133 C GLY A 146 13.335 56.180 -2.116 1.00 9.21 C ATOM 1134 O GLY A 146 12.306 55.581 -1.779 1.00 10.08 O ATOM 0 H GLY A 146 15.635 58.132 -1.386 1.00 9.12 H new ATOM 0 HA2 GLY A 146 13.263 57.555 -0.583 1.00 9.67 H new ATOM 0 HA3 GLY A 146 13.559 58.223 -1.960 1.00 9.67 H new ATOM 1135 N ASN A 147 14.138 55.784 -3.101 1.00 9.51 N ATOM 1136 CA ASN A 147 14.079 54.448 -3.694 1.00 9.27 C ATOM 1137 C ASN A 147 15.284 53.656 -3.181 1.00 8.92 C ATOM 1138 O ASN A 147 16.393 53.805 -3.702 1.00 8.97 O ATOM 1139 CB ASN A 147 14.102 54.524 -5.227 1.00 9.46 C ATOM 1140 CG ASN A 147 14.401 53.171 -5.874 1.00 10.23 C ATOM 1141 OD1 ASN A 147 14.244 52.121 -5.244 1.00 8.90 O ATOM 1142 ND2 ASN A 147 14.850 53.196 -7.136 1.00 10.31 N ATOM 0 H ASN A 147 14.740 56.290 -3.449 1.00 9.51 H new ATOM 0 HA ASN A 147 13.251 54.011 -3.440 1.00 9.27 H new ATOM 0 HB2 ASN A 147 13.245 54.849 -5.545 1.00 9.46 H new ATOM 0 HB3 ASN A 147 14.771 55.168 -5.506 1.00 9.46 H new ATOM 0 HD21 ASN A 147 15.041 52.461 -7.539 1.00 10.31 H new ATOM 0 HD22 ASN A 147 14.947 53.947 -7.543 1.00 10.31 H new ATOM 1143 N PRO A 148 15.087 52.832 -2.132 1.00 8.76 N ATOM 1144 CA PRO A 148 16.208 52.056 -1.569 1.00 9.08 C ATOM 1145 C PRO A 148 17.050 51.231 -2.565 1.00 9.50 C ATOM 1146 O PRO A 148 18.211 50.951 -2.288 1.00 9.29 O ATOM 1147 CB PRO A 148 15.509 51.153 -0.538 1.00 8.71 C ATOM 1148 CG PRO A 148 14.372 52.055 -0.035 1.00 8.87 C ATOM 1149 CD PRO A 148 13.849 52.632 -1.348 1.00 9.29 C ATOM 0 HA PRO A 148 16.881 52.655 -1.210 1.00 9.08 H new ATOM 0 HB2 PRO A 148 15.173 50.337 -0.940 1.00 8.71 H new ATOM 0 HB3 PRO A 148 16.108 50.891 0.179 1.00 8.71 H new ATOM 0 HG2 PRO A 148 13.691 51.555 0.442 1.00 8.87 H new ATOM 0 HG3 PRO A 148 14.691 52.745 0.567 1.00 8.87 H new ATOM 0 HD2 PRO A 148 13.237 52.023 -1.790 1.00 9.29 H new ATOM 0 HD3 PRO A 148 13.371 53.465 -1.211 1.00 9.29 H new ATOM 1150 N LEU A 149 16.478 50.863 -3.711 1.00 9.70 N ATOM 1151 CA LEU A 149 17.192 50.049 -4.701 1.00 10.44 C ATOM 1152 C LEU A 149 17.874 50.846 -5.828 1.00 11.29 C ATOM 1153 O LEU A 149 18.484 50.249 -6.723 1.00 11.38 O ATOM 1154 CB LEU A 149 16.236 49.009 -5.307 1.00 9.91 C ATOM 1155 CG LEU A 149 15.544 48.089 -4.288 1.00 10.84 C ATOM 1156 CD1 LEU A 149 14.482 47.227 -4.979 1.00 11.37 C ATOM 1157 CD2 LEU A 149 16.556 47.216 -3.560 1.00 12.89 C ATOM 0 H LEU A 149 15.675 51.074 -3.937 1.00 9.70 H new ATOM 0 HA LEU A 149 17.912 49.621 -4.213 1.00 10.44 H new ATOM 0 HB2 LEU A 149 15.555 49.475 -5.817 1.00 9.91 H new ATOM 0 HB3 LEU A 149 16.733 48.459 -5.933 1.00 9.91 H new ATOM 0 HG LEU A 149 15.105 48.648 -3.628 1.00 10.84 H new ATOM 0 HD11 LEU A 149 14.055 46.653 -4.324 1.00 11.37 H new ATOM 0 HD12 LEU A 149 13.816 47.801 -5.389 1.00 11.37 H new ATOM 0 HD13 LEU A 149 14.902 46.681 -5.662 1.00 11.37 H new ATOM 0 HD21 LEU A 149 16.095 46.647 -2.925 1.00 12.89 H new ATOM 0 HD22 LEU A 149 17.030 46.665 -4.203 1.00 12.89 H new ATOM 0 HD23 LEU A 149 17.189 47.779 -3.088 1.00 12.89 H new ATOM 1158 N ALA A 150 17.769 52.177 -5.777 1.00 11.66 N ATOM 1159 CA ALA A 150 18.352 53.040 -6.814 1.00 12.48 C ATOM 1160 C ALA A 150 19.820 52.673 -7.068 1.00 13.12 C ATOM 1161 O ALA A 150 20.573 52.477 -6.120 1.00 13.40 O ATOM 1162 CB ALA A 150 18.232 54.517 -6.418 1.00 12.14 C ATOM 0 H ALA A 150 17.363 52.602 -5.149 1.00 11.66 H new ATOM 0 HA ALA A 150 17.856 52.899 -7.636 1.00 12.48 H new ATOM 0 HB1 ALA A 150 18.621 55.071 -7.113 1.00 12.14 H new ATOM 0 HB2 ALA A 150 17.296 54.748 -6.307 1.00 12.14 H new ATOM 0 HB3 ALA A 150 18.703 54.668 -5.583 1.00 12.14 H new ATOM 1163 N PRO A 151 20.243 52.628 -8.349 1.00 13.95 N ATOM 1164 CA PRO A 151 19.529 52.989 -9.579 1.00 14.42 C ATOM 1165 C PRO A 151 18.603 51.925 -10.166 1.00 14.44 C ATOM 1166 O PRO A 151 17.991 52.172 -11.203 1.00 15.63 O ATOM 1167 CB PRO A 151 20.678 53.255 -10.558 1.00 15.02 C ATOM 1168 CG PRO A 151 21.695 52.245 -10.146 1.00 14.22 C ATOM 1169 CD PRO A 151 21.633 52.223 -8.640 1.00 14.56 C ATOM 0 HA PRO A 151 18.925 53.727 -9.402 1.00 14.42 H new ATOM 0 HB2 PRO A 151 20.402 53.134 -11.480 1.00 15.02 H new ATOM 0 HB3 PRO A 151 21.016 54.161 -10.480 1.00 15.02 H new ATOM 0 HG2 PRO A 151 21.495 51.372 -10.519 1.00 14.22 H new ATOM 0 HG3 PRO A 151 22.580 52.490 -10.458 1.00 14.22 H new ATOM 0 HD2 PRO A 151 21.830 51.341 -8.287 1.00 14.56 H new ATOM 0 HD3 PRO A 151 22.274 52.836 -8.247 1.00 14.56 H new ATOM 1170 N ALA A 152 18.493 50.756 -9.534 1.00 14.32 N ATOM 1171 CA ALA A 152 17.490 49.788 -9.974 1.00 14.26 C ATOM 1172 C ALA A 152 16.115 50.343 -9.638 1.00 14.41 C ATOM 1173 O ALA A 152 15.945 51.001 -8.609 1.00 14.18 O ATOM 1174 CB ALA A 152 17.697 48.437 -9.308 1.00 14.56 C ATOM 0 H ALA A 152 18.975 50.509 -8.866 1.00 14.32 H new ATOM 0 HA ALA A 152 17.572 49.650 -10.931 1.00 14.26 H new ATOM 0 HB1 ALA A 152 17.019 47.816 -9.618 1.00 14.56 H new ATOM 0 HB2 ALA A 152 18.576 48.095 -9.535 1.00 14.56 H new ATOM 0 HB3 ALA A 152 17.628 48.537 -8.346 1.00 14.56 H new ATOM 1175 N VAL A 153 15.144 50.106 -10.516 1.00 14.13 N ATOM 1176 CA VAL A 153 13.772 50.519 -10.269 1.00 14.10 C ATOM 1177 C VAL A 153 12.901 49.317 -10.567 1.00 14.21 C ATOM 1178 O VAL A 153 12.634 49.009 -11.727 1.00 14.72 O ATOM 1179 CB VAL A 153 13.337 51.741 -11.139 1.00 14.55 C ATOM 1180 CG1 VAL A 153 11.862 52.058 -10.927 1.00 14.39 C ATOM 1181 CG2 VAL A 153 14.196 52.974 -10.819 1.00 14.75 C ATOM 0 H VAL A 153 15.264 49.703 -11.267 1.00 14.13 H new ATOM 0 HA VAL A 153 13.683 50.813 -9.349 1.00 14.10 H new ATOM 0 HB VAL A 153 13.471 51.506 -12.070 1.00 14.55 H new ATOM 0 HG11 VAL A 153 11.612 52.818 -11.475 1.00 14.39 H new ATOM 0 HG12 VAL A 153 11.326 51.289 -11.178 1.00 14.39 H new ATOM 0 HG13 VAL A 153 11.707 52.268 -9.993 1.00 14.39 H new ATOM 0 HG21 VAL A 153 13.910 53.720 -11.369 1.00 14.75 H new ATOM 0 HG22 VAL A 153 14.094 53.206 -9.883 1.00 14.75 H new ATOM 0 HG23 VAL A 153 15.128 52.776 -11.003 1.00 14.75 H new ATOM 1182 N LEU A 154 12.492 48.617 -9.517 1.00 13.32 N ATOM 1183 CA LEU A 154 11.669 47.433 -9.698 1.00 13.16 C ATOM 1184 C LEU A 154 10.201 47.829 -9.810 1.00 12.94 C ATOM 1185 O LEU A 154 9.826 48.928 -9.382 1.00 13.05 O ATOM 1186 CB LEU A 154 11.867 46.455 -8.529 1.00 12.91 C ATOM 1187 CG LEU A 154 13.258 45.799 -8.421 1.00 13.63 C ATOM 1188 CD1 LEU A 154 13.245 44.734 -7.323 1.00 13.03 C ATOM 1189 CD2 LEU A 154 13.738 45.206 -9.745 1.00 15.77 C ATOM 0 H LEU A 154 12.678 48.809 -8.700 1.00 13.32 H new ATOM 0 HA LEU A 154 11.939 46.991 -10.518 1.00 13.16 H new ATOM 0 HB2 LEU A 154 11.688 46.928 -7.701 1.00 12.91 H new ATOM 0 HB3 LEU A 154 11.203 45.752 -8.603 1.00 12.91 H new ATOM 0 HG LEU A 154 13.890 46.497 -8.189 1.00 13.63 H new ATOM 0 HD11 LEU A 154 14.122 44.324 -7.259 1.00 13.03 H new ATOM 0 HD12 LEU A 154 13.018 45.146 -6.475 1.00 13.03 H new ATOM 0 HD13 LEU A 154 12.586 44.055 -7.538 1.00 13.03 H new ATOM 0 HD21 LEU A 154 14.614 44.808 -9.623 1.00 15.77 H new ATOM 0 HD22 LEU A 154 13.113 44.526 -10.041 1.00 15.77 H new ATOM 0 HD23 LEU A 154 13.793 45.907 -10.413 1.00 15.77 H new ATOM 1190 N PRO A 155 9.353 46.933 -10.356 1.00 12.84 N ATOM 1191 CA PRO A 155 7.918 47.231 -10.298 1.00 12.70 C ATOM 1192 C PRO A 155 7.467 47.270 -8.838 1.00 12.48 C ATOM 1193 O PRO A 155 8.101 46.633 -7.979 1.00 11.52 O ATOM 1194 CB PRO A 155 7.265 46.051 -11.028 1.00 13.24 C ATOM 1195 CG PRO A 155 8.381 45.297 -11.691 1.00 13.23 C ATOM 1196 CD PRO A 155 9.650 45.647 -11.024 1.00 13.33 C ATOM 0 HA PRO A 155 7.686 48.085 -10.694 1.00 12.70 H new ATOM 0 HB2 PRO A 155 6.785 45.482 -10.406 1.00 13.24 H new ATOM 0 HB3 PRO A 155 6.621 46.363 -11.683 1.00 13.24 H new ATOM 0 HG2 PRO A 155 8.223 44.342 -11.633 1.00 13.23 H new ATOM 0 HG3 PRO A 155 8.424 45.520 -12.634 1.00 13.23 H new ATOM 0 HD2 PRO A 155 9.916 44.967 -10.385 1.00 13.33 H new ATOM 0 HD3 PRO A 155 10.375 45.736 -11.662 1.00 13.33 H new ATOM 1197 N LEU A 156 6.404 48.012 -8.539 1.00 12.33 N ATOM 1198 CA LEU A 156 5.869 47.986 -7.165 1.00 11.69 C ATOM 1199 C LEU A 156 5.583 46.544 -6.744 1.00 11.44 C ATOM 1200 O LEU A 156 5.069 45.741 -7.542 1.00 12.14 O ATOM 1201 CB LEU A 156 4.617 48.859 -7.019 1.00 12.13 C ATOM 1202 CG LEU A 156 4.811 50.364 -7.269 1.00 12.83 C ATOM 1203 CD1 LEU A 156 3.497 51.110 -7.054 1.00 13.39 C ATOM 1204 CD2 LEU A 156 5.905 50.982 -6.402 1.00 13.74 C ATOM 0 H LEU A 156 5.985 48.523 -9.090 1.00 12.33 H new ATOM 0 HA LEU A 156 6.542 48.360 -6.575 1.00 11.69 H new ATOM 0 HB2 LEU A 156 3.943 48.531 -7.634 1.00 12.13 H new ATOM 0 HB3 LEU A 156 4.265 48.741 -6.123 1.00 12.13 H new ATOM 0 HG LEU A 156 5.097 50.454 -8.191 1.00 12.83 H new ATOM 0 HD11 LEU A 156 3.632 52.057 -7.214 1.00 13.39 H new ATOM 0 HD12 LEU A 156 2.828 50.771 -7.669 1.00 13.39 H new ATOM 0 HD13 LEU A 156 3.195 50.977 -6.142 1.00 13.39 H new ATOM 0 HD21 LEU A 156 5.981 51.928 -6.603 1.00 13.74 H new ATOM 0 HD22 LEU A 156 5.679 50.868 -5.466 1.00 13.74 H new ATOM 0 HD23 LEU A 156 6.750 50.544 -6.586 1.00 13.74 H new ATOM 1205 N ALA A 157 5.942 46.216 -5.506 1.00 10.99 N ATOM 1206 CA ALA A 157 5.933 44.820 -5.052 1.00 10.46 C ATOM 1207 C ALA A 157 4.740 44.473 -4.167 1.00 10.67 C ATOM 1208 O ALA A 157 4.108 45.356 -3.564 1.00 10.36 O ATOM 1209 CB ALA A 157 7.244 44.487 -4.338 1.00 10.82 C ATOM 0 H ALA A 157 6.194 46.783 -4.911 1.00 10.99 H new ATOM 0 HA ALA A 157 5.845 44.274 -5.849 1.00 10.46 H new ATOM 0 HB1 ALA A 157 7.226 43.563 -4.043 1.00 10.82 H new ATOM 0 HB2 ALA A 157 7.987 44.617 -4.948 1.00 10.82 H new ATOM 0 HB3 ALA A 157 7.351 45.069 -3.570 1.00 10.82 H new ATOM 1210 N ASP A 158 4.432 43.180 -4.099 1.00 10.03 N ATOM 1211 CA ASP A 158 3.396 42.692 -3.190 1.00 10.10 C ATOM 1212 C ASP A 158 3.843 42.690 -1.728 1.00 9.77 C ATOM 1213 O ASP A 158 3.030 42.887 -0.820 1.00 9.85 O ATOM 1214 CB ASP A 158 2.920 41.304 -3.615 1.00 10.05 C ATOM 1215 CG ASP A 158 2.247 41.328 -4.968 1.00 12.35 C ATOM 1216 OD1 ASP A 158 1.223 42.036 -5.108 1.00 14.09 O ATOM 1217 OD2 ASP A 158 2.747 40.663 -5.891 1.00 14.05 O ATOM 0 H ASP A 158 4.811 42.569 -4.570 1.00 10.03 H new ATOM 0 HA ASP A 158 2.653 43.313 -3.251 1.00 10.10 H new ATOM 0 HB2 ASP A 158 3.676 40.697 -3.641 1.00 10.05 H new ATOM 0 HB3 ASP A 158 2.302 40.958 -2.953 1.00 10.05 H new ATOM 1218 N CYS A 159 5.132 42.469 -1.503 1.00 9.74 N ATOM 1219 CA CYS A 159 5.649 42.365 -0.146 1.00 9.32 C ATOM 1220 C CYS A 159 7.066 42.899 -0.052 1.00 9.00 C ATOM 1221 O CYS A 159 7.893 42.642 -0.927 1.00 9.14 O ATOM 1222 CB CYS A 159 5.604 40.906 0.320 1.00 9.71 C ATOM 1223 SG CYS A 159 6.186 40.624 2.012 1.00 10.88 S ATOM 0 H CYS A 159 5.723 42.376 -2.121 1.00 9.74 H new ATOM 0 HA CYS A 159 5.088 42.905 0.432 1.00 9.32 H new ATOM 0 HB2 CYS A 159 4.691 40.586 0.249 1.00 9.71 H new ATOM 0 HB3 CYS A 159 6.140 40.371 -0.286 1.00 9.71 H new ATOM 0 HG CYS A 159 5.927 39.500 2.342 1.00 10.88 H new ATOM 1224 N VAL A 160 7.328 43.659 1.004 1.00 8.17 N ATOM 1225 CA VAL A 160 8.702 44.019 1.370 1.00 8.25 C ATOM 1226 C VAL A 160 8.971 43.360 2.710 1.00 8.44 C ATOM 1227 O VAL A 160 8.190 43.529 3.651 1.00 8.05 O ATOM 1228 CB VAL A 160 8.905 45.558 1.456 1.00 8.60 C ATOM 1229 CG1 VAL A 160 10.248 45.922 2.133 1.00 8.88 C ATOM 1230 CG2 VAL A 160 8.829 46.172 0.061 1.00 8.03 C ATOM 0 H VAL A 160 6.725 43.980 1.527 1.00 8.17 H new ATOM 0 HA VAL A 160 9.323 43.713 0.690 1.00 8.25 H new ATOM 0 HB VAL A 160 8.194 45.922 2.006 1.00 8.60 H new ATOM 0 HG11 VAL A 160 10.341 46.887 2.170 1.00 8.88 H new ATOM 0 HG12 VAL A 160 10.265 45.562 3.033 1.00 8.88 H new ATOM 0 HG13 VAL A 160 10.981 45.546 1.621 1.00 8.88 H new ATOM 0 HG21 VAL A 160 8.956 47.132 0.122 1.00 8.03 H new ATOM 0 HG22 VAL A 160 9.522 45.789 -0.499 1.00 8.03 H new ATOM 0 HG23 VAL A 160 7.960 45.986 -0.328 1.00 8.03 H new ATOM 1231 N LEU A 161 10.082 42.628 2.781 1.00 7.69 N ATOM 1232 CA LEU A 161 10.505 41.897 3.969 1.00 8.10 C ATOM 1233 C LEU A 161 11.788 42.543 4.484 1.00 7.98 C ATOM 1234 O LEU A 161 12.639 42.921 3.685 1.00 7.67 O ATOM 1235 CB LEU A 161 10.786 40.443 3.576 1.00 7.67 C ATOM 1236 CG LEU A 161 11.275 39.470 4.647 1.00 8.16 C ATOM 1237 CD1 LEU A 161 10.168 39.262 5.707 1.00 9.88 C ATOM 1238 CD2 LEU A 161 11.705 38.131 3.987 1.00 8.13 C ATOM 0 H LEU A 161 10.624 42.542 2.119 1.00 7.69 H new ATOM 0 HA LEU A 161 9.819 41.920 4.655 1.00 8.10 H new ATOM 0 HB2 LEU A 161 9.970 40.078 3.199 1.00 7.67 H new ATOM 0 HB3 LEU A 161 11.447 40.454 2.866 1.00 7.67 H new ATOM 0 HG LEU A 161 12.051 39.838 5.098 1.00 8.16 H new ATOM 0 HD11 LEU A 161 10.481 38.644 6.386 1.00 9.88 H new ATOM 0 HD12 LEU A 161 9.952 40.112 6.120 1.00 9.88 H new ATOM 0 HD13 LEU A 161 9.376 38.899 5.281 1.00 9.88 H new ATOM 0 HD21 LEU A 161 12.014 37.517 4.671 1.00 8.13 H new ATOM 0 HD22 LEU A 161 10.948 37.741 3.522 1.00 8.13 H new ATOM 0 HD23 LEU A 161 12.421 38.297 3.355 1.00 8.13 H new ATOM 1239 N THR A 162 11.917 42.687 5.805 1.00 7.77 N ATOM 1240 CA THR A 162 13.162 43.220 6.372 1.00 8.40 C ATOM 1241 C THR A 162 13.355 42.820 7.834 1.00 8.24 C ATOM 1242 O THR A 162 12.567 43.188 8.694 1.00 8.69 O ATOM 1243 CB THR A 162 13.322 44.766 6.140 1.00 8.20 C ATOM 1244 OG1 THR A 162 14.643 45.182 6.515 1.00 9.51 O ATOM 1245 CG2 THR A 162 12.261 45.592 6.910 1.00 8.44 C ATOM 0 H THR A 162 11.310 42.487 6.381 1.00 7.77 H new ATOM 0 HA THR A 162 13.885 42.801 5.879 1.00 8.40 H new ATOM 0 HB THR A 162 13.182 44.934 5.195 1.00 8.20 H new ATOM 0 HG1 THR A 162 15.202 44.862 5.975 1.00 9.51 H new ATOM 0 HG21 THR A 162 12.398 46.537 6.737 1.00 8.44 H new ATOM 0 HG22 THR A 162 11.374 45.335 6.614 1.00 8.44 H new ATOM 0 HG23 THR A 162 12.346 45.422 7.861 1.00 8.44 H new ATOM 1246 N LEU A 163 14.410 42.051 8.093 1.00 7.77 N ATOM 1247 CA LEU A 163 14.672 41.519 9.430 1.00 8.84 C ATOM 1248 C LEU A 163 16.016 41.994 9.949 1.00 8.54 C ATOM 1249 O LEU A 163 17.048 41.801 9.296 1.00 8.59 O ATOM 1250 CB LEU A 163 14.643 39.974 9.443 1.00 8.88 C ATOM 1251 CG LEU A 163 13.290 39.255 9.466 1.00 11.52 C ATOM 1252 CD1 LEU A 163 12.579 39.422 8.157 1.00 14.31 C ATOM 1253 CD2 LEU A 163 13.470 37.758 9.774 1.00 10.18 C ATOM 0 H LEU A 163 14.992 41.823 7.502 1.00 7.77 H new ATOM 0 HA LEU A 163 13.967 41.850 10.008 1.00 8.84 H new ATOM 0 HB2 LEU A 163 15.125 39.666 8.660 1.00 8.88 H new ATOM 0 HB3 LEU A 163 15.145 39.679 10.219 1.00 8.88 H new ATOM 0 HG LEU A 163 12.754 39.655 10.168 1.00 11.52 H new ATOM 0 HD11 LEU A 163 11.726 38.961 8.191 1.00 14.31 H new ATOM 0 HD12 LEU A 163 12.430 40.365 7.988 1.00 14.31 H new ATOM 0 HD13 LEU A 163 13.120 39.048 7.444 1.00 14.31 H new ATOM 0 HD21 LEU A 163 12.603 37.323 9.784 1.00 10.18 H new ATOM 0 HD22 LEU A 163 14.027 37.352 9.092 1.00 10.18 H new ATOM 0 HD23 LEU A 163 13.893 37.654 10.641 1.00 10.18 H new ATOM 1254 N LEU A 164 15.985 42.615 11.135 1.00 8.47 N ATOM 1255 CA LEU A 164 17.189 42.890 11.935 1.00 9.21 C ATOM 1256 C LEU A 164 18.192 43.853 11.274 1.00 9.56 C ATOM 1257 O LEU A 164 19.365 43.902 11.669 1.00 10.86 O ATOM 1258 CB LEU A 164 17.890 41.570 12.324 1.00 8.64 C ATOM 1259 CG LEU A 164 17.008 40.467 12.948 1.00 9.25 C ATOM 1260 CD1 LEU A 164 17.810 39.172 13.188 1.00 9.85 C ATOM 1261 CD2 LEU A 164 16.341 40.926 14.248 1.00 11.94 C ATOM 0 H LEU A 164 15.258 42.891 11.501 1.00 8.47 H new ATOM 0 HA LEU A 164 16.873 43.348 12.729 1.00 9.21 H new ATOM 0 HB2 LEU A 164 18.311 41.206 11.529 1.00 8.64 H new ATOM 0 HB3 LEU A 164 18.600 41.779 12.951 1.00 8.64 H new ATOM 0 HG LEU A 164 16.306 40.280 12.305 1.00 9.25 H new ATOM 0 HD11 LEU A 164 17.230 38.500 13.580 1.00 9.85 H new ATOM 0 HD12 LEU A 164 18.158 38.846 12.344 1.00 9.85 H new ATOM 0 HD13 LEU A 164 18.547 39.355 13.792 1.00 9.85 H new ATOM 0 HD21 LEU A 164 15.798 40.206 14.605 1.00 11.94 H new ATOM 0 HD22 LEU A 164 17.023 41.168 14.894 1.00 11.94 H new ATOM 0 HD23 LEU A 164 15.779 41.696 14.069 1.00 11.94 H new ATOM 1262 N ALA A 165 17.751 44.611 10.276 1.00 8.99 N ATOM 1263 CA ALA A 165 18.663 45.493 9.521 1.00 9.28 C ATOM 1264 C ALA A 165 18.351 46.977 9.709 1.00 9.39 C ATOM 1265 O ALA A 165 19.263 47.801 9.833 1.00 9.91 O ATOM 1266 CB ALA A 165 18.652 45.135 8.035 1.00 9.79 C ATOM 0 H ALA A 165 16.932 44.635 10.014 1.00 8.99 H new ATOM 0 HA ALA A 165 19.551 45.344 9.883 1.00 9.28 H new ATOM 0 HB1 ALA A 165 19.256 45.724 7.556 1.00 9.79 H new ATOM 0 HB2 ALA A 165 18.939 44.216 7.921 1.00 9.79 H new ATOM 0 HB3 ALA A 165 17.754 45.238 7.684 1.00 9.79 H new ATOM 1267 N MET A 166 17.066 47.318 9.715 1.00 9.25 N ATOM 1268 CA MET A 166 16.658 48.725 9.820 1.00 9.15 C ATOM 1269 C MET A 166 17.268 49.405 11.053 1.00 9.26 C ATOM 1270 O MET A 166 17.748 50.537 10.972 1.00 9.55 O ATOM 1271 CB MET A 166 15.127 48.840 9.838 1.00 9.70 C ATOM 1272 CG MET A 166 14.478 48.473 8.514 1.00 9.16 C ATOM 1273 SD MET A 166 14.431 49.894 7.397 1.00 10.88 S ATOM 1274 CE MET A 166 13.028 50.775 8.095 1.00 12.71 C ATOM 0 H MET A 166 16.416 46.758 9.660 1.00 9.25 H new ATOM 0 HA MET A 166 16.997 49.188 9.038 1.00 9.15 H new ATOM 0 HB2 MET A 166 14.774 48.264 10.534 1.00 9.70 H new ATOM 0 HB3 MET A 166 14.880 49.749 10.070 1.00 9.70 H new ATOM 0 HG2 MET A 166 14.970 47.748 8.099 1.00 9.16 H new ATOM 0 HG3 MET A 166 13.577 48.151 8.670 1.00 9.16 H new ATOM 0 HE1 MET A 166 12.567 51.259 7.392 1.00 12.71 H new ATOM 0 HE2 MET A 166 12.418 50.141 8.504 1.00 12.71 H new ATOM 0 HE3 MET A 166 13.341 51.401 8.766 1.00 12.71 H new ATOM 1275 N GLU A 167 17.253 48.707 12.188 1.00 9.39 N ATOM 1276 CA GLU A 167 17.774 49.270 13.445 1.00 10.23 C ATOM 1277 C GLU A 167 19.307 49.405 13.428 1.00 10.70 C ATOM 1278 O GLU A 167 19.883 50.120 14.258 1.00 11.97 O ATOM 1279 CB GLU A 167 17.288 48.468 14.670 1.00 10.31 C ATOM 1280 CG GLU A 167 17.714 46.993 14.745 1.00 11.35 C ATOM 1281 CD GLU A 167 16.750 46.022 14.025 1.00 12.06 C ATOM 1282 OE1 GLU A 167 16.208 46.367 12.949 1.00 12.57 O ATOM 1283 OE2 GLU A 167 16.559 44.900 14.546 1.00 12.16 O ATOM 0 H GLU A 167 16.947 47.906 12.256 1.00 9.39 H new ATOM 0 HA GLU A 167 17.414 50.167 13.523 1.00 10.23 H new ATOM 0 HB2 GLU A 167 17.605 48.916 15.470 1.00 10.31 H new ATOM 0 HB3 GLU A 167 16.319 48.504 14.690 1.00 10.31 H new ATOM 0 HG2 GLU A 167 18.599 46.902 14.358 1.00 11.35 H new ATOM 0 HG3 GLU A 167 17.784 46.733 15.677 1.00 11.35 H new ATOM 1284 N CYS A 168 19.953 48.724 12.486 1.00 10.65 N ATOM 1285 CA CYS A 168 21.406 48.838 12.268 1.00 10.70 C ATOM 1286 C CYS A 168 21.725 49.962 11.285 1.00 10.88 C ATOM 1287 O CYS A 168 22.741 50.656 11.420 1.00 10.72 O ATOM 1288 CB CYS A 168 21.972 47.520 11.737 1.00 11.52 C ATOM 1289 SG CYS A 168 21.719 46.150 12.887 1.00 13.04 S ATOM 0 H CYS A 168 19.564 48.177 11.948 1.00 10.65 H new ATOM 0 HA CYS A 168 21.818 49.044 13.122 1.00 10.70 H new ATOM 0 HB2 CYS A 168 21.552 47.309 10.889 1.00 11.52 H new ATOM 0 HB3 CYS A 168 22.921 47.624 11.565 1.00 11.52 H new ATOM 0 HG CYS A 168 22.759 45.876 13.419 1.00 13.04 H new ATOM 1290 N ALA A 169 20.858 50.122 10.289 1.00 10.59 N ATOM 1291 CA ALA A 169 21.044 51.129 9.245 1.00 10.48 C ATOM 1292 C ALA A 169 20.749 52.548 9.713 1.00 10.75 C ATOM 1293 O ALA A 169 21.307 53.508 9.161 1.00 10.46 O ATOM 1294 CB ALA A 169 20.167 50.798 8.036 1.00 10.57 C ATOM 0 H ALA A 169 20.145 49.650 10.198 1.00 10.59 H new ATOM 0 HA ALA A 169 21.983 51.101 9.003 1.00 10.48 H new ATOM 0 HB1 ALA A 169 20.296 51.470 7.349 1.00 10.57 H new ATOM 0 HB2 ALA A 169 20.413 49.927 7.686 1.00 10.57 H new ATOM 0 HB3 ALA A 169 19.235 50.786 8.305 1.00 10.57 H new ATOM 1295 N CYS A 170 19.854 52.674 10.697 1.00 10.94 N ATOM 1296 CA CYS A 170 19.339 53.971 11.141 1.00 11.32 C ATOM 1297 C CYS A 170 19.947 54.409 12.471 1.00 12.01 C ATOM 1298 O CYS A 170 19.963 53.643 13.442 1.00 12.04 O ATOM 1299 CB CYS A 170 17.813 53.905 11.257 1.00 11.17 C ATOM 1300 SG CYS A 170 16.996 53.601 9.684 1.00 11.78 S ATOM 0 H CYS A 170 19.528 52.005 11.127 1.00 10.94 H new ATOM 0 HA CYS A 170 19.593 54.632 10.478 1.00 11.32 H new ATOM 0 HB2 CYS A 170 17.572 53.203 11.881 1.00 11.17 H new ATOM 0 HB3 CYS A 170 17.486 54.739 11.629 1.00 11.17 H new ATOM 0 HG CYS A 170 16.061 52.869 9.853 1.00 11.78 H new ATOM 1301 N CYS A 171 20.416 55.653 12.518 1.00 12.47 N ATOM 1302 CA CYS A 171 21.070 56.182 13.717 1.00 13.15 C ATOM 1303 C CYS A 171 20.116 56.772 14.774 1.00 12.83 C ATOM 1304 O CYS A 171 20.552 57.095 15.890 1.00 13.06 O ATOM 1305 CB CYS A 171 22.121 57.227 13.323 1.00 13.81 C ATOM 1306 SG CYS A 171 21.391 58.779 12.798 1.00 17.47 S ATOM 0 H CYS A 171 20.366 56.210 11.865 1.00 12.47 H new ATOM 0 HA CYS A 171 21.485 55.415 14.142 1.00 13.15 H new ATOM 0 HB2 CYS A 171 22.709 57.389 14.077 1.00 13.81 H new ATOM 0 HB3 CYS A 171 22.670 56.873 12.606 1.00 13.81 H new ATOM 0 HG CYS A 171 20.601 59.149 13.622 1.00 17.47 H new ATOM 1307 N SER A 172 18.832 56.904 14.431 1.00 11.94 N ATOM 1308 CA SER A 172 17.860 57.606 15.268 1.00 10.78 C ATOM 1309 C SER A 172 16.449 57.125 14.956 1.00 10.29 C ATOM 1310 O SER A 172 16.213 56.517 13.902 1.00 9.58 O ATOM 1311 CB SER A 172 17.921 59.115 14.998 1.00 11.24 C ATOM 1312 OG SER A 172 17.423 59.415 13.691 1.00 10.40 O ATOM 0 H SER A 172 18.501 56.587 13.703 1.00 11.94 H new ATOM 0 HA SER A 172 18.076 57.423 16.196 1.00 10.78 H new ATOM 0 HB2 SER A 172 17.399 59.589 15.665 1.00 11.24 H new ATOM 0 HB3 SER A 172 18.836 59.426 15.080 1.00 11.24 H new ATOM 0 HG SER A 172 17.894 60.018 13.343 1.00 10.40 H new ATOM 1313 N LEU A 173 15.513 57.435 15.851 1.00 9.70 N ATOM 1314 CA LEU A 173 14.108 57.158 15.598 1.00 10.35 C ATOM 1315 C LEU A 173 13.633 57.904 14.340 1.00 10.04 C ATOM 1316 O LEU A 173 12.916 57.341 13.515 1.00 10.09 O ATOM 1317 CB LEU A 173 13.247 57.529 16.813 1.00 9.77 C ATOM 1318 CG LEU A 173 11.732 57.328 16.702 1.00 10.80 C ATOM 1319 CD1 LEU A 173 11.365 55.889 16.277 1.00 11.11 C ATOM 1320 CD2 LEU A 173 11.052 57.688 18.013 1.00 11.78 C ATOM 0 H LEU A 173 15.674 57.806 16.610 1.00 9.70 H new ATOM 0 HA LEU A 173 14.008 56.205 15.445 1.00 10.35 H new ATOM 0 HB2 LEU A 173 13.562 57.012 17.571 1.00 9.77 H new ATOM 0 HB3 LEU A 173 13.410 58.463 17.020 1.00 9.77 H new ATOM 0 HG LEU A 173 11.411 57.923 16.006 1.00 10.80 H new ATOM 0 HD11 LEU A 173 10.400 55.805 16.219 1.00 11.11 H new ATOM 0 HD12 LEU A 173 11.759 55.697 15.412 1.00 11.11 H new ATOM 0 HD13 LEU A 173 11.705 55.261 16.933 1.00 11.11 H new ATOM 0 HD21 LEU A 173 10.095 57.556 17.928 1.00 11.78 H new ATOM 0 HD22 LEU A 173 11.394 57.121 18.722 1.00 11.78 H new ATOM 0 HD23 LEU A 173 11.232 58.617 18.227 1.00 11.78 H new ATOM 1321 N ASP A 174 14.048 59.156 14.186 1.00 9.74 N ATOM 1322 CA ASP A 174 13.684 59.912 12.975 1.00 10.39 C ATOM 1323 C ASP A 174 14.154 59.209 11.695 1.00 9.87 C ATOM 1324 O ASP A 174 13.404 59.118 10.716 1.00 9.34 O ATOM 1325 CB ASP A 174 14.228 61.343 13.032 1.00 10.84 C ATOM 1326 CG ASP A 174 13.369 62.275 13.878 1.00 12.70 C ATOM 1327 OD1 ASP A 174 12.138 62.075 13.989 1.00 15.75 O ATOM 1328 OD2 ASP A 174 13.947 63.229 14.437 1.00 16.93 O ATOM 0 H ASP A 174 14.531 59.585 14.753 1.00 9.74 H new ATOM 0 HA ASP A 174 12.715 59.952 12.949 1.00 10.39 H new ATOM 0 HB2 ASP A 174 15.129 61.327 13.391 1.00 10.84 H new ATOM 0 HB3 ASP A 174 14.288 61.697 12.131 1.00 10.84 H new ATOM 1329 N ALA A 175 15.393 58.715 11.704 1.00 9.32 N ATOM 1330 CA ALA A 175 15.952 58.009 10.543 1.00 9.64 C ATOM 1331 C ALA A 175 15.150 56.730 10.266 1.00 9.79 C ATOM 1332 O ALA A 175 14.831 56.414 9.112 1.00 9.90 O ATOM 1333 CB ALA A 175 17.433 57.703 10.759 1.00 9.80 C ATOM 0 H ALA A 175 15.929 58.777 12.373 1.00 9.32 H new ATOM 0 HA ALA A 175 15.883 58.583 9.764 1.00 9.64 H new ATOM 0 HB1 ALA A 175 17.784 57.238 9.984 1.00 9.80 H new ATOM 0 HB2 ALA A 175 17.920 58.532 10.886 1.00 9.80 H new ATOM 0 HB3 ALA A 175 17.537 57.144 11.545 1.00 9.80 H new ATOM 1334 N TYR A 176 14.790 56.027 11.338 1.00 9.55 N ATOM 1335 CA TYR A 176 13.983 54.810 11.229 1.00 9.51 C ATOM 1336 C TYR A 176 12.594 55.107 10.646 1.00 9.47 C ATOM 1337 O TYR A 176 12.106 54.377 9.768 1.00 9.68 O ATOM 1338 CB TYR A 176 13.912 54.118 12.609 1.00 9.19 C ATOM 1339 CG TYR A 176 13.100 52.837 12.618 1.00 8.89 C ATOM 1340 CD1 TYR A 176 13.632 51.633 12.130 1.00 9.96 C ATOM 1341 CD2 TYR A 176 11.785 52.838 13.092 1.00 9.65 C ATOM 1342 CE1 TYR A 176 12.877 50.455 12.136 1.00 9.44 C ATOM 1343 CE2 TYR A 176 11.017 51.673 13.097 1.00 9.55 C ATOM 1344 CZ TYR A 176 11.569 50.490 12.618 1.00 10.26 C ATOM 1345 OH TYR A 176 10.806 49.348 12.612 1.00 10.91 O ATOM 0 H TYR A 176 15.004 56.239 12.144 1.00 9.55 H new ATOM 0 HA TYR A 176 14.406 54.199 10.606 1.00 9.51 H new ATOM 0 HB2 TYR A 176 14.813 53.920 12.908 1.00 9.19 H new ATOM 0 HB3 TYR A 176 13.530 54.737 13.251 1.00 9.19 H new ATOM 0 HD1 TYR A 176 14.500 51.618 11.797 1.00 9.96 H new ATOM 0 HD2 TYR A 176 11.415 53.630 13.410 1.00 9.65 H new ATOM 0 HE1 TYR A 176 13.243 49.659 11.823 1.00 9.44 H new ATOM 0 HE2 TYR A 176 10.144 51.688 13.418 1.00 9.55 H new ATOM 0 HH TYR A 176 11.183 48.761 12.144 1.00 10.91 H new ATOM 1346 N ARG A 177 11.969 56.183 11.119 1.00 9.42 N ATOM 1347 CA ARG A 177 10.649 56.601 10.629 1.00 9.36 C ATOM 1348 C ARG A 177 10.681 56.910 9.124 1.00 8.65 C ATOM 1349 O ARG A 177 9.812 56.462 8.368 1.00 9.23 O ATOM 1350 CB ARG A 177 10.142 57.799 11.431 1.00 9.83 C ATOM 1351 CG ARG A 177 9.723 57.412 12.851 1.00 9.67 C ATOM 1352 CD ARG A 177 9.552 58.660 13.765 1.00 10.20 C ATOM 1353 NE ARG A 177 8.562 59.574 13.198 1.00 11.96 N ATOM 1354 CZ ARG A 177 7.240 59.419 13.258 1.00 11.48 C ATOM 1355 NH1 ARG A 177 6.470 60.320 12.663 1.00 12.54 N ATOM 1356 NH2 ARG A 177 6.678 58.381 13.894 1.00 12.12 N ATOM 0 H ARG A 177 12.294 56.692 11.731 1.00 9.42 H new ATOM 0 HA ARG A 177 10.031 55.864 10.756 1.00 9.36 H new ATOM 0 HB2 ARG A 177 10.837 58.474 11.474 1.00 9.83 H new ATOM 0 HB3 ARG A 177 9.387 58.198 10.971 1.00 9.83 H new ATOM 0 HG2 ARG A 177 8.889 56.918 12.819 1.00 9.67 H new ATOM 0 HG3 ARG A 177 10.389 56.819 13.234 1.00 9.67 H new ATOM 0 HD2 ARG A 177 9.275 58.383 14.652 1.00 10.20 H new ATOM 0 HD3 ARG A 177 10.403 59.116 13.863 1.00 10.20 H new ATOM 0 HE ARG A 177 8.858 60.271 12.791 1.00 11.96 H new ATOM 0 HH11 ARG A 177 6.826 60.985 12.251 1.00 12.54 H new ATOM 0 HH12 ARG A 177 5.614 60.239 12.689 1.00 12.54 H new ATOM 0 HH21 ARG A 177 7.174 57.792 14.278 1.00 12.12 H new ATOM 0 HH22 ARG A 177 5.822 58.304 13.918 1.00 12.12 H new ATOM 1357 N ALA A 178 11.697 57.649 8.688 1.00 8.56 N ATOM 1358 CA ALA A 178 11.851 57.959 7.256 1.00 8.15 C ATOM 1359 C ALA A 178 12.144 56.701 6.420 1.00 8.60 C ATOM 1360 O ALA A 178 11.598 56.534 5.311 1.00 8.31 O ATOM 1361 CB ALA A 178 12.940 59.021 7.063 1.00 8.42 C ATOM 0 H ALA A 178 12.307 57.981 9.195 1.00 8.56 H new ATOM 0 HA ALA A 178 11.007 58.314 6.935 1.00 8.15 H new ATOM 0 HB1 ALA A 178 13.035 59.219 6.118 1.00 8.42 H new ATOM 0 HB2 ALA A 178 12.692 59.829 7.539 1.00 8.42 H new ATOM 0 HB3 ALA A 178 13.782 58.688 7.409 1.00 8.42 H new ATOM 1362 N ALA A 179 12.977 55.810 6.963 1.00 8.52 N ATOM 1363 CA ALA A 179 13.322 54.572 6.270 1.00 8.72 C ATOM 1364 C ALA A 179 12.070 53.727 6.014 1.00 8.75 C ATOM 1365 O ALA A 179 11.943 53.116 4.954 1.00 8.26 O ATOM 1366 CB ALA A 179 14.353 53.788 7.053 1.00 9.29 C ATOM 0 H ALA A 179 13.351 55.906 7.731 1.00 8.52 H new ATOM 0 HA ALA A 179 13.710 54.803 5.411 1.00 8.72 H new ATOM 0 HB1 ALA A 179 14.568 52.971 6.577 1.00 9.29 H new ATOM 0 HB2 ALA A 179 15.156 54.322 7.157 1.00 9.29 H new ATOM 0 HB3 ALA A 179 13.996 53.568 7.928 1.00 9.29 H new ATOM 1367 N LEU A 180 11.136 53.710 6.969 1.00 9.02 N ATOM 1368 CA LEU A 180 9.886 52.956 6.775 1.00 8.80 C ATOM 1369 C LEU A 180 9.072 53.520 5.608 1.00 8.90 C ATOM 1370 O LEU A 180 8.480 52.761 4.830 1.00 8.56 O ATOM 1371 CB LEU A 180 9.037 52.925 8.044 1.00 8.88 C ATOM 1372 CG LEU A 180 9.516 51.988 9.157 1.00 9.36 C ATOM 1373 CD1 LEU A 180 8.738 52.282 10.432 1.00 10.20 C ATOM 1374 CD2 LEU A 180 9.353 50.493 8.756 1.00 11.23 C ATOM 0 H LEU A 180 11.201 54.119 7.723 1.00 9.02 H new ATOM 0 HA LEU A 180 10.139 52.044 6.563 1.00 8.80 H new ATOM 0 HB2 LEU A 180 8.992 53.825 8.402 1.00 8.88 H new ATOM 0 HB3 LEU A 180 8.133 52.671 7.800 1.00 8.88 H new ATOM 0 HG LEU A 180 10.461 52.146 9.306 1.00 9.36 H new ATOM 0 HD11 LEU A 180 9.039 51.690 11.139 1.00 10.20 H new ATOM 0 HD12 LEU A 180 8.887 53.203 10.697 1.00 10.20 H new ATOM 0 HD13 LEU A 180 7.792 52.140 10.274 1.00 10.20 H new ATOM 0 HD21 LEU A 180 9.664 49.928 9.480 1.00 11.23 H new ATOM 0 HD22 LEU A 180 8.418 50.305 8.579 1.00 11.23 H new ATOM 0 HD23 LEU A 180 9.875 50.313 7.958 1.00 11.23 H new ATOM 1375 N CYS A 181 9.035 54.847 5.484 1.00 8.25 N ATOM 1376 CA CYS A 181 8.381 55.460 4.326 1.00 8.59 C ATOM 1377 C CYS A 181 9.081 55.072 3.022 1.00 9.05 C ATOM 1378 O CYS A 181 8.422 54.878 1.996 1.00 9.19 O ATOM 1379 CB CYS A 181 8.344 56.981 4.459 1.00 8.80 C ATOM 1380 SG CYS A 181 7.531 57.553 5.959 1.00 9.93 S ATOM 0 H CYS A 181 9.375 55.401 6.047 1.00 8.25 H new ATOM 0 HA CYS A 181 7.471 55.125 4.300 1.00 8.59 H new ATOM 0 HB2 CYS A 181 9.252 57.322 4.442 1.00 8.80 H new ATOM 0 HB3 CYS A 181 7.886 57.354 3.690 1.00 8.80 H new ATOM 0 HG CYS A 181 8.185 57.237 6.914 1.00 9.93 H new ATOM 1381 N ASN A 182 10.414 54.974 3.061 1.00 8.79 N ATOM 1382 CA ASN A 182 11.170 54.549 1.874 1.00 9.19 C ATOM 1383 C ASN A 182 10.821 53.116 1.471 1.00 9.53 C ATOM 1384 O ASN A 182 10.671 52.813 0.282 1.00 10.27 O ATOM 1385 CB ASN A 182 12.671 54.731 2.099 1.00 9.14 C ATOM 1386 CG ASN A 182 13.037 56.187 2.376 1.00 8.85 C ATOM 1387 OD1 ASN A 182 12.276 57.105 2.022 1.00 8.06 O ATOM 1388 ND2 ASN A 182 14.190 56.406 3.007 1.00 9.42 N ATOM 0 H ASN A 182 10.894 55.146 3.753 1.00 8.79 H new ATOM 0 HA ASN A 182 10.913 55.118 1.131 1.00 9.19 H new ATOM 0 HB2 ASN A 182 12.954 54.180 2.845 1.00 9.14 H new ATOM 0 HB3 ASN A 182 13.154 54.420 1.317 1.00 9.14 H new ATOM 0 HD21 ASN A 182 14.436 57.210 3.186 1.00 9.42 H new ATOM 0 HD22 ASN A 182 14.688 55.743 3.235 1.00 9.42 H new ATOM 1389 N LEU A 183 10.662 52.239 2.459 1.00 9.51 N ATOM 1390 CA LEU A 183 10.227 50.865 2.170 1.00 9.68 C ATOM 1391 C LEU A 183 8.810 50.872 1.611 1.00 9.34 C ATOM 1392 O LEU A 183 8.511 50.119 0.689 1.00 9.60 O ATOM 1393 CB LEU A 183 10.300 49.961 3.413 1.00 9.72 C ATOM 1394 CG LEU A 183 11.675 49.785 4.055 1.00 12.23 C ATOM 1395 CD1 LEU A 183 11.633 48.774 5.199 1.00 13.28 C ATOM 1396 CD2 LEU A 183 12.709 49.378 3.035 1.00 12.83 C ATOM 0 H LEU A 183 10.797 52.411 3.291 1.00 9.51 H new ATOM 0 HA LEU A 183 10.836 50.500 1.509 1.00 9.68 H new ATOM 0 HB2 LEU A 183 9.697 50.319 4.083 1.00 9.72 H new ATOM 0 HB3 LEU A 183 9.965 49.084 3.169 1.00 9.72 H new ATOM 0 HG LEU A 183 11.930 50.646 4.421 1.00 12.23 H new ATOM 0 HD11 LEU A 183 12.518 48.685 5.585 1.00 13.28 H new ATOM 0 HD12 LEU A 183 11.014 49.081 5.880 1.00 13.28 H new ATOM 0 HD13 LEU A 183 11.340 47.914 4.860 1.00 13.28 H new ATOM 0 HD21 LEU A 183 13.570 49.274 3.470 1.00 12.83 H new ATOM 0 HD22 LEU A 183 12.449 48.537 2.628 1.00 12.83 H new ATOM 0 HD23 LEU A 183 12.774 50.061 2.350 1.00 12.83 H new ATOM 1397 N ALA A 184 7.955 51.728 2.160 1.00 9.54 N ATOM 1398 CA ALA A 184 6.565 51.791 1.731 1.00 10.04 C ATOM 1399 C ALA A 184 6.480 52.175 0.249 1.00 9.96 C ATOM 1400 O ALA A 184 5.584 51.715 -0.459 1.00 10.32 O ATOM 1401 CB ALA A 184 5.756 52.770 2.604 1.00 10.11 C ATOM 0 H ALA A 184 8.162 52.282 2.784 1.00 9.54 H new ATOM 0 HA ALA A 184 6.174 50.910 1.841 1.00 10.04 H new ATOM 0 HB1 ALA A 184 4.836 52.793 2.297 1.00 10.11 H new ATOM 0 HB2 ALA A 184 5.781 52.476 3.528 1.00 10.11 H new ATOM 0 HB3 ALA A 184 6.141 53.658 2.537 1.00 10.11 H new ATOM 1402 N SER A 185 7.445 52.969 -0.221 1.00 10.28 N ATOM 1403 CA SER A 185 7.467 53.401 -1.631 1.00 10.37 C ATOM 1404 C SER A 185 7.671 52.229 -2.601 1.00 10.15 C ATOM 1405 O SER A 185 7.342 52.336 -3.782 1.00 10.32 O ATOM 1406 CB SER A 185 8.557 54.454 -1.866 1.00 10.35 C ATOM 1407 OG SER A 185 9.807 53.850 -2.093 1.00 12.85 O ATOM 0 H SER A 185 8.095 53.270 0.254 1.00 10.28 H new ATOM 0 HA SER A 185 6.597 53.790 -1.810 1.00 10.37 H new ATOM 0 HB2 SER A 185 8.319 55.006 -2.627 1.00 10.35 H new ATOM 0 HB3 SER A 185 8.614 55.042 -1.096 1.00 10.35 H new ATOM 0 HG SER A 185 10.101 53.535 -1.372 1.00 12.85 H new ATOM 1408 N LEU A 186 8.240 51.128 -2.100 1.00 9.64 N ATOM 1409 CA LEU A 186 8.472 49.932 -2.921 1.00 9.51 C ATOM 1410 C LEU A 186 7.229 49.051 -3.078 1.00 9.69 C ATOM 1411 O LEU A 186 7.225 48.107 -3.885 1.00 9.97 O ATOM 1412 CB LEU A 186 9.620 49.103 -2.339 1.00 9.12 C ATOM 1413 CG LEU A 186 11.011 49.759 -2.260 1.00 8.51 C ATOM 1414 CD1 LEU A 186 11.957 48.760 -1.630 1.00 8.34 C ATOM 1415 CD2 LEU A 186 11.527 50.187 -3.637 1.00 9.84 C ATOM 0 H LEU A 186 8.500 51.053 -1.284 1.00 9.64 H new ATOM 0 HA LEU A 186 8.705 50.252 -3.807 1.00 9.51 H new ATOM 0 HB2 LEU A 186 9.367 48.832 -1.443 1.00 9.12 H new ATOM 0 HB3 LEU A 186 9.702 48.294 -2.868 1.00 9.12 H new ATOM 0 HG LEU A 186 10.952 50.566 -1.726 1.00 8.51 H new ATOM 0 HD11 LEU A 186 12.844 49.148 -1.568 1.00 8.34 H new ATOM 0 HD12 LEU A 186 11.642 48.531 -0.742 1.00 8.34 H new ATOM 0 HD13 LEU A 186 11.993 47.959 -2.176 1.00 8.34 H new ATOM 0 HD21 LEU A 186 12.402 50.594 -3.543 1.00 9.84 H new ATOM 0 HD22 LEU A 186 11.593 49.410 -4.214 1.00 9.84 H new ATOM 0 HD23 LEU A 186 10.913 50.828 -4.028 1.00 9.84 H new ATOM 1416 N LEU A 187 6.175 49.354 -2.321 1.00 9.67 N ATOM 1417 CA LEU A 187 4.974 48.514 -2.318 1.00 9.61 C ATOM 1418 C LEU A 187 3.833 49.036 -3.185 1.00 10.38 C ATOM 1419 O LEU A 187 3.575 50.253 -3.233 1.00 10.77 O ATOM 1420 CB LEU A 187 4.443 48.368 -0.885 1.00 9.95 C ATOM 1421 CG LEU A 187 5.249 47.507 0.094 1.00 9.06 C ATOM 1422 CD1 LEU A 187 4.725 47.709 1.513 1.00 9.87 C ATOM 1423 CD2 LEU A 187 5.154 46.024 -0.302 1.00 9.25 C ATOM 0 H LEU A 187 6.134 50.039 -1.803 1.00 9.67 H new ATOM 0 HA LEU A 187 5.258 47.666 -2.693 1.00 9.61 H new ATOM 0 HB2 LEU A 187 4.365 49.257 -0.505 1.00 9.95 H new ATOM 0 HB3 LEU A 187 3.547 48.001 -0.936 1.00 9.95 H new ATOM 0 HG LEU A 187 6.180 47.777 0.060 1.00 9.06 H new ATOM 0 HD11 LEU A 187 5.238 47.162 2.128 1.00 9.87 H new ATOM 0 HD12 LEU A 187 4.812 48.643 1.761 1.00 9.87 H new ATOM 0 HD13 LEU A 187 3.791 47.450 1.553 1.00 9.87 H new ATOM 0 HD21 LEU A 187 5.667 45.488 0.323 1.00 9.25 H new ATOM 0 HD22 LEU A 187 4.226 45.743 -0.283 1.00 9.25 H new ATOM 0 HD23 LEU A 187 5.509 45.904 -1.197 1.00 9.25 H new ATOM 1424 N LYS A 188 3.110 48.100 -3.798 1.00 10.78 N ATOM 1425 CA LYS A 188 1.763 48.381 -4.314 1.00 11.39 C ATOM 1426 C LYS A 188 0.863 48.836 -3.166 1.00 12.28 C ATOM 1427 O LYS A 188 1.034 48.382 -2.015 1.00 11.13 O ATOM 1428 CB LYS A 188 1.131 47.126 -4.915 1.00 11.79 C ATOM 1429 CG LYS A 188 1.869 46.513 -6.086 1.00 11.71 C ATOM 1430 CD LYS A 188 1.226 45.171 -6.422 1.00 14.41 C ATOM 1431 CE LYS A 188 1.922 44.497 -7.572 1.00 16.17 C ATOM 1432 NZ LYS A 188 1.355 43.129 -7.805 1.00 17.86 N ATOM 0 H LYS A 188 3.379 47.293 -3.927 1.00 10.78 H new ATOM 0 HA LYS A 188 1.845 49.067 -4.995 1.00 11.39 H new ATOM 0 HB2 LYS A 188 1.054 46.457 -4.217 1.00 11.79 H new ATOM 0 HB3 LYS A 188 0.230 47.343 -5.200 1.00 11.79 H new ATOM 0 HG2 LYS A 188 1.832 47.105 -6.854 1.00 11.71 H new ATOM 0 HG3 LYS A 188 2.806 46.391 -5.866 1.00 11.71 H new ATOM 0 HD2 LYS A 188 1.254 44.594 -5.643 1.00 14.41 H new ATOM 0 HD3 LYS A 188 0.291 45.305 -6.642 1.00 14.41 H new ATOM 0 HE2 LYS A 188 1.825 45.033 -8.374 1.00 16.17 H new ATOM 0 HE3 LYS A 188 2.872 44.431 -7.388 1.00 16.17 H new ATOM 0 HZ1 LYS A 188 1.905 42.665 -8.329 1.00 17.86 H new ATOM 0 HZ2 LYS A 188 1.263 42.709 -7.026 1.00 17.86 H new ATOM 0 HZ3 LYS A 188 0.560 43.200 -8.199 1.00 17.86 H new ATOM 1433 N PRO A 189 -0.131 49.697 -3.468 1.00 13.40 N ATOM 1434 CA PRO A 189 -1.178 49.922 -2.471 1.00 13.81 C ATOM 1435 C PRO A 189 -1.795 48.565 -2.103 1.00 13.52 C ATOM 1436 O PRO A 189 -2.036 47.734 -2.993 1.00 13.85 O ATOM 1437 CB PRO A 189 -2.191 50.803 -3.223 1.00 14.41 C ATOM 1438 CG PRO A 189 -1.359 51.523 -4.246 1.00 15.39 C ATOM 1439 CD PRO A 189 -0.380 50.459 -4.709 1.00 13.71 C ATOM 0 HA PRO A 189 -0.873 50.334 -1.647 1.00 13.81 H new ATOM 0 HB2 PRO A 189 -2.884 50.269 -3.641 1.00 14.41 H new ATOM 0 HB3 PRO A 189 -2.634 51.425 -2.624 1.00 14.41 H new ATOM 0 HG2 PRO A 189 -1.901 51.855 -4.979 1.00 15.39 H new ATOM 0 HG3 PRO A 189 -0.902 52.288 -3.862 1.00 15.39 H new ATOM 0 HD2 PRO A 189 -0.756 49.900 -5.407 1.00 13.71 H new ATOM 0 HD3 PRO A 189 0.435 50.847 -5.065 1.00 13.71 H new ATOM 1440 N GLY A 190 -2.008 48.325 -0.809 1.00 12.52 N ATOM 1441 CA GLY A 190 -2.507 47.031 -0.336 1.00 12.49 C ATOM 1442 C GLY A 190 -1.414 45.991 -0.104 1.00 11.83 C ATOM 1443 O GLY A 190 -1.678 44.921 0.453 1.00 12.23 O ATOM 0 H GLY A 190 -1.869 48.901 -0.185 1.00 12.52 H new ATOM 0 HA2 GLY A 190 -2.994 47.166 0.492 1.00 12.49 H new ATOM 0 HA3 GLY A 190 -3.140 46.683 -0.983 1.00 12.49 H new ATOM 1444 N GLY A 191 -0.189 46.312 -0.525 1.00 11.54 N ATOM 1445 CA GLY A 191 0.975 45.440 -0.293 1.00 10.84 C ATOM 1446 C GLY A 191 1.334 45.373 1.178 1.00 9.98 C ATOM 1447 O GLY A 191 0.853 46.176 1.979 1.00 9.85 O ATOM 0 H GLY A 191 -0.006 47.036 -0.951 1.00 11.54 H new ATOM 0 HA2 GLY A 191 0.783 44.548 -0.621 1.00 10.84 H new ATOM 0 HA3 GLY A 191 1.734 45.771 -0.798 1.00 10.84 H new ATOM 1448 N HIS A 192 2.192 44.428 1.543 1.00 9.73 N ATOM 1449 CA HIS A 192 2.540 44.250 2.951 1.00 9.64 C ATOM 1450 C HIS A 192 4.018 44.417 3.246 1.00 9.53 C ATOM 1451 O HIS A 192 4.874 43.999 2.464 1.00 9.24 O ATOM 1452 CB HIS A 192 2.108 42.866 3.440 1.00 10.34 C ATOM 1453 CG HIS A 192 0.628 42.716 3.540 1.00 11.26 C ATOM 1454 ND1 HIS A 192 -0.150 42.349 2.462 1.00 11.69 N ATOM 1455 CD2 HIS A 192 -0.224 42.918 4.575 1.00 11.63 C ATOM 1456 CE1 HIS A 192 -1.418 42.323 2.832 1.00 11.96 C ATOM 1457 NE2 HIS A 192 -1.490 42.666 4.107 1.00 11.35 N ATOM 0 H HIS A 192 2.580 43.885 1.001 1.00 9.73 H new ATOM 0 HA HIS A 192 2.065 44.953 3.421 1.00 9.64 H new ATOM 0 HB2 HIS A 192 2.456 42.192 2.835 1.00 10.34 H new ATOM 0 HB3 HIS A 192 2.504 42.698 4.309 1.00 10.34 H new ATOM 0 HD2 HIS A 192 0.005 43.178 5.438 1.00 11.63 H new ATOM 0 HE1 HIS A 192 -2.138 42.101 2.288 1.00 11.96 H new ATOM 0 HE2 HIS A 192 -2.213 42.722 4.569 1.00 11.35 H new ATOM 1458 N LEU A 193 4.295 45.038 4.383 1.00 8.97 N ATOM 1459 CA LEU A 193 5.620 45.035 4.968 1.00 9.38 C ATOM 1460 C LEU A 193 5.642 43.958 6.046 1.00 9.11 C ATOM 1461 O LEU A 193 4.721 43.874 6.853 1.00 9.20 O ATOM 1462 CB LEU A 193 5.917 46.395 5.607 1.00 8.95 C ATOM 1463 CG LEU A 193 7.150 46.486 6.514 1.00 10.28 C ATOM 1464 CD1 LEU A 193 8.422 46.349 5.677 1.00 10.48 C ATOM 1465 CD2 LEU A 193 7.142 47.800 7.300 1.00 9.99 C ATOM 0 H LEU A 193 3.712 45.476 4.839 1.00 8.97 H new ATOM 0 HA LEU A 193 6.288 44.862 4.286 1.00 9.38 H new ATOM 0 HB2 LEU A 193 6.018 47.046 4.895 1.00 8.95 H new ATOM 0 HB3 LEU A 193 5.141 46.660 6.126 1.00 8.95 H new ATOM 0 HG LEU A 193 7.127 45.759 7.156 1.00 10.28 H new ATOM 0 HD11 LEU A 193 9.198 46.407 6.256 1.00 10.48 H new ATOM 0 HD12 LEU A 193 8.421 45.491 5.224 1.00 10.48 H new ATOM 0 HD13 LEU A 193 8.455 47.061 5.019 1.00 10.48 H new ATOM 0 HD21 LEU A 193 7.927 47.842 7.868 1.00 9.99 H new ATOM 0 HD22 LEU A 193 7.150 48.547 6.682 1.00 9.99 H new ATOM 0 HD23 LEU A 193 6.344 47.844 7.849 1.00 9.99 H new ATOM 1466 N VAL A 194 6.691 43.141 6.046 1.00 8.04 N ATOM 1467 CA VAL A 194 6.885 42.143 7.085 1.00 7.66 C ATOM 1468 C VAL A 194 8.260 42.425 7.674 1.00 7.87 C ATOM 1469 O VAL A 194 9.251 42.455 6.950 1.00 7.71 O ATOM 1470 CB VAL A 194 6.828 40.715 6.516 1.00 8.24 C ATOM 1471 CG1 VAL A 194 7.120 39.688 7.618 1.00 8.42 C ATOM 1472 CG2 VAL A 194 5.455 40.445 5.877 1.00 8.25 C ATOM 0 H VAL A 194 7.306 43.151 5.445 1.00 8.04 H new ATOM 0 HA VAL A 194 6.184 42.197 7.753 1.00 7.66 H new ATOM 0 HB VAL A 194 7.507 40.630 5.829 1.00 8.24 H new ATOM 0 HG11 VAL A 194 7.081 38.793 7.245 1.00 8.42 H new ATOM 0 HG12 VAL A 194 8.005 39.847 7.983 1.00 8.42 H new ATOM 0 HG13 VAL A 194 6.460 39.773 8.323 1.00 8.42 H new ATOM 0 HG21 VAL A 194 5.434 39.542 5.523 1.00 8.25 H new ATOM 0 HG22 VAL A 194 4.761 40.545 6.547 1.00 8.25 H new ATOM 0 HG23 VAL A 194 5.303 41.077 5.157 1.00 8.25 H new ATOM 1473 N THR A 195 8.324 42.666 8.973 1.00 7.90 N ATOM 1474 CA THR A 195 9.586 43.106 9.569 1.00 8.58 C ATOM 1475 C THR A 195 9.750 42.584 10.976 1.00 9.26 C ATOM 1476 O THR A 195 8.787 42.512 11.724 1.00 9.30 O ATOM 1477 CB THR A 195 9.710 44.664 9.570 1.00 9.12 C ATOM 1478 OG1 THR A 195 11.007 45.055 10.030 1.00 8.95 O ATOM 1479 CG2 THR A 195 8.626 45.339 10.457 1.00 9.30 C ATOM 0 H THR A 195 7.667 42.585 9.522 1.00 7.90 H new ATOM 0 HA THR A 195 10.294 42.738 9.017 1.00 8.58 H new ATOM 0 HB THR A 195 9.577 44.961 8.656 1.00 9.12 H new ATOM 0 HG1 THR A 195 11.579 44.504 9.757 1.00 8.95 H new ATOM 0 HG21 THR A 195 8.739 46.302 10.430 1.00 9.30 H new ATOM 0 HG22 THR A 195 7.745 45.107 10.124 1.00 9.30 H new ATOM 0 HG23 THR A 195 8.717 45.029 11.372 1.00 9.30 H new ATOM 1480 N THR A 196 10.987 42.250 11.330 1.00 9.12 N ATOM 1481 CA THR A 196 11.323 41.923 12.710 1.00 9.69 C ATOM 1482 C THR A 196 12.376 42.913 13.162 1.00 9.75 C ATOM 1483 O THR A 196 13.351 43.162 12.451 1.00 9.24 O ATOM 1484 CB THR A 196 11.842 40.484 12.856 1.00 10.35 C ATOM 1485 OG1 THR A 196 10.807 39.574 12.478 1.00 11.38 O ATOM 1486 CG2 THR A 196 12.202 40.200 14.318 1.00 11.29 C ATOM 0 H THR A 196 11.649 42.207 10.783 1.00 9.12 H new ATOM 0 HA THR A 196 10.526 41.981 13.260 1.00 9.69 H new ATOM 0 HB THR A 196 12.625 40.376 12.293 1.00 10.35 H new ATOM 0 HG1 THR A 196 11.041 38.789 12.666 1.00 11.38 H new ATOM 0 HG21 THR A 196 12.528 39.290 14.400 1.00 11.29 H new ATOM 0 HG22 THR A 196 12.891 40.818 14.608 1.00 11.29 H new ATOM 0 HG23 THR A 196 11.414 40.312 14.873 1.00 11.29 H new ATOM 1487 N VAL A 197 12.153 43.473 14.342 1.00 9.56 N ATOM 1488 CA VAL A 197 13.033 44.481 14.907 1.00 10.28 C ATOM 1489 C VAL A 197 13.379 44.088 16.349 1.00 10.75 C ATOM 1490 O VAL A 197 12.498 43.696 17.113 1.00 9.49 O ATOM 1491 CB VAL A 197 12.377 45.894 14.826 1.00 10.73 C ATOM 1492 CG1 VAL A 197 11.032 45.931 15.546 1.00 11.96 C ATOM 1493 CG2 VAL A 197 13.329 46.987 15.346 1.00 12.11 C ATOM 0 H VAL A 197 11.481 43.276 14.841 1.00 9.56 H new ATOM 0 HA VAL A 197 13.855 44.527 14.395 1.00 10.28 H new ATOM 0 HB VAL A 197 12.206 46.081 13.890 1.00 10.73 H new ATOM 0 HG11 VAL A 197 10.652 46.821 15.477 1.00 11.96 H new ATOM 0 HG12 VAL A 197 10.429 45.290 15.138 1.00 11.96 H new ATOM 0 HG13 VAL A 197 11.159 45.706 16.481 1.00 11.96 H new ATOM 0 HG21 VAL A 197 12.894 47.852 15.283 1.00 12.11 H new ATOM 0 HG22 VAL A 197 13.555 46.806 16.272 1.00 12.11 H new ATOM 0 HG23 VAL A 197 14.138 46.993 14.811 1.00 12.11 H new ATOM 1494 N THR A 198 14.662 44.174 16.694 1.00 11.18 N ATOM 1495 CA THR A 198 15.102 43.981 18.077 1.00 12.54 C ATOM 1496 C THR A 198 14.910 45.279 18.854 1.00 12.41 C ATOM 1497 O THR A 198 15.138 46.374 18.321 1.00 12.60 O ATOM 1498 CB THR A 198 16.590 43.529 18.178 1.00 12.97 C ATOM 1499 OG1 THR A 198 17.422 44.495 17.551 1.00 17.82 O ATOM 1500 CG2 THR A 198 16.792 42.179 17.517 1.00 14.80 C ATOM 0 H THR A 198 15.297 44.344 16.140 1.00 11.18 H new ATOM 0 HA THR A 198 14.561 43.271 18.456 1.00 12.54 H new ATOM 0 HB THR A 198 16.825 43.450 19.116 1.00 12.97 H new ATOM 0 HG1 THR A 198 17.893 44.121 16.964 1.00 17.82 H new ATOM 0 HG21 THR A 198 17.723 41.918 17.592 1.00 14.80 H new ATOM 0 HG22 THR A 198 16.235 41.517 17.956 1.00 14.80 H new ATOM 0 HG23 THR A 198 16.547 42.237 16.580 1.00 14.80 H new ATOM 1501 N LEU A 199 14.472 45.153 20.103 1.00 11.78 N ATOM 1502 CA LEU A 199 14.073 46.301 20.896 1.00 12.15 C ATOM 1503 C LEU A 199 15.125 46.737 21.920 1.00 12.45 C ATOM 1504 O LEU A 199 15.878 45.906 22.456 1.00 12.97 O ATOM 1505 CB LEU A 199 12.737 46.026 21.585 1.00 11.46 C ATOM 1506 CG LEU A 199 11.565 45.648 20.665 1.00 12.98 C ATOM 1507 CD1 LEU A 199 10.369 45.128 21.478 1.00 13.06 C ATOM 1508 CD2 LEU A 199 11.163 46.832 19.778 1.00 11.33 C ATOM 0 H LEU A 199 14.399 44.399 20.511 1.00 11.78 H new ATOM 0 HA LEU A 199 13.978 47.042 20.277 1.00 12.15 H new ATOM 0 HB2 LEU A 199 12.866 45.309 22.225 1.00 11.46 H new ATOM 0 HB3 LEU A 199 12.486 46.815 22.090 1.00 11.46 H new ATOM 0 HG LEU A 199 11.859 44.929 20.084 1.00 12.98 H new ATOM 0 HD11 LEU A 199 9.644 44.897 20.876 1.00 13.06 H new ATOM 0 HD12 LEU A 199 10.636 44.342 21.979 1.00 13.06 H new ATOM 0 HD13 LEU A 199 10.071 45.817 22.092 1.00 13.06 H new ATOM 0 HD21 LEU A 199 10.423 46.572 19.207 1.00 11.33 H new ATOM 0 HD22 LEU A 199 10.893 47.578 20.336 1.00 11.33 H new ATOM 0 HD23 LEU A 199 11.918 47.096 19.229 1.00 11.33 H new ATOM 1509 N ARG A 200 15.164 48.046 22.169 1.00 12.28 N ATOM 1510 CA ARG A 200 16.062 48.650 23.158 1.00 12.83 C ATOM 1511 C ARG A 200 17.518 48.216 22.990 1.00 12.40 C ATOM 1512 O ARG A 200 18.216 48.012 23.977 1.00 13.67 O ATOM 1513 CB ARG A 200 15.600 48.305 24.584 1.00 13.33 C ATOM 1514 CG ARG A 200 14.189 48.728 24.910 1.00 16.82 C ATOM 1515 CD ARG A 200 13.982 48.679 26.430 1.00 22.78 C ATOM 1516 NE ARG A 200 12.621 49.036 26.804 1.00 27.56 N ATOM 1517 CZ ARG A 200 12.102 48.871 28.015 1.00 30.08 C ATOM 1518 NH1 ARG A 200 12.832 48.334 28.991 1.00 32.20 N ATOM 1519 NH2 ARG A 200 10.845 49.240 28.245 1.00 31.54 N ATOM 0 H ARG A 200 14.664 48.616 21.764 1.00 12.28 H new ATOM 0 HA ARG A 200 16.021 49.608 23.010 1.00 12.83 H new ATOM 0 HB2 ARG A 200 15.675 47.346 24.712 1.00 13.33 H new ATOM 0 HB3 ARG A 200 16.204 48.724 25.217 1.00 13.33 H new ATOM 0 HG2 ARG A 200 14.025 49.625 24.580 1.00 16.82 H new ATOM 0 HG3 ARG A 200 13.555 48.142 24.468 1.00 16.82 H new ATOM 0 HD2 ARG A 200 14.183 47.787 26.755 1.00 22.78 H new ATOM 0 HD3 ARG A 200 14.605 49.285 26.861 1.00 22.78 H new ATOM 0 HE ARG A 200 12.117 49.378 26.197 1.00 27.56 H new ATOM 0 HH11 ARG A 200 13.643 48.092 28.838 1.00 32.20 H new ATOM 0 HH12 ARG A 200 12.492 48.229 29.774 1.00 32.20 H new ATOM 0 HH21 ARG A 200 10.375 49.583 27.612 1.00 31.54 H new ATOM 0 HH22 ARG A 200 10.503 49.136 29.027 1.00 31.54 H new ATOM 1520 N LEU A 201 17.966 48.080 21.747 1.00 11.99 N ATOM 1521 CA LEU A 201 19.317 47.598 21.462 1.00 12.24 C ATOM 1522 C LEU A 201 20.208 48.746 20.995 1.00 12.42 C ATOM 1523 O LEU A 201 19.913 49.365 19.967 1.00 12.08 O ATOM 1524 CB LEU A 201 19.252 46.500 20.381 1.00 11.63 C ATOM 1525 CG LEU A 201 20.578 45.835 19.998 1.00 11.68 C ATOM 1526 CD1 LEU A 201 21.191 45.125 21.197 1.00 12.37 C ATOM 1527 CD2 LEU A 201 20.380 44.864 18.813 1.00 12.34 C ATOM 0 H LEU A 201 17.500 48.263 21.047 1.00 11.99 H new ATOM 0 HA LEU A 201 19.699 47.229 22.273 1.00 12.24 H new ATOM 0 HB2 LEU A 201 18.644 45.809 20.687 1.00 11.63 H new ATOM 0 HB3 LEU A 201 18.864 46.886 19.580 1.00 11.63 H new ATOM 0 HG LEU A 201 21.196 46.527 19.715 1.00 11.68 H new ATOM 0 HD11 LEU A 201 22.028 44.711 20.935 1.00 12.37 H new ATOM 0 HD12 LEU A 201 21.356 45.768 21.904 1.00 12.37 H new ATOM 0 HD13 LEU A 201 20.580 44.443 21.517 1.00 12.37 H new ATOM 0 HD21 LEU A 201 21.229 44.454 18.585 1.00 12.34 H new ATOM 0 HD22 LEU A 201 19.744 44.175 19.062 1.00 12.34 H new ATOM 0 HD23 LEU A 201 20.042 45.353 18.047 1.00 12.34 H new ATOM 1528 N PRO A 202 21.273 49.062 21.759 1.00 13.09 N ATOM 1529 CA PRO A 202 22.158 50.181 21.397 1.00 13.12 C ATOM 1530 C PRO A 202 23.365 49.831 20.509 1.00 12.72 C ATOM 1531 O PRO A 202 23.978 50.727 19.905 1.00 12.45 O ATOM 1532 CB PRO A 202 22.633 50.682 22.766 1.00 13.49 C ATOM 1533 CG PRO A 202 22.698 49.436 23.616 1.00 13.81 C ATOM 1534 CD PRO A 202 21.644 48.463 23.062 1.00 13.27 C ATOM 0 HA PRO A 202 21.679 50.824 20.851 1.00 13.12 H new ATOM 0 HB2 PRO A 202 23.499 51.114 22.704 1.00 13.49 H new ATOM 0 HB3 PRO A 202 22.017 51.333 23.138 1.00 13.49 H new ATOM 0 HG2 PRO A 202 23.583 49.041 23.580 1.00 13.81 H new ATOM 0 HG3 PRO A 202 22.518 49.645 24.546 1.00 13.81 H new ATOM 0 HD2 PRO A 202 22.005 47.569 22.955 1.00 13.27 H new ATOM 0 HD3 PRO A 202 20.878 48.391 23.653 1.00 13.27 H new ATOM 1535 N SER A 203 23.699 48.544 20.429 1.00 12.38 N ATOM 1536 CA SER A 203 24.868 48.084 19.676 1.00 12.42 C ATOM 1537 C SER A 203 24.848 46.570 19.586 1.00 12.14 C ATOM 1538 O SER A 203 24.135 45.905 20.341 1.00 12.08 O ATOM 1539 CB SER A 203 26.165 48.540 20.358 1.00 12.61 C ATOM 1540 OG SER A 203 26.254 47.966 21.652 1.00 13.71 O ATOM 0 H SER A 203 23.255 47.913 20.809 1.00 12.38 H new ATOM 0 HA SER A 203 24.835 48.467 18.786 1.00 12.42 H new ATOM 0 HB2 SER A 203 26.931 48.276 19.825 1.00 12.61 H new ATOM 0 HB3 SER A 203 26.184 49.508 20.422 1.00 12.61 H new ATOM 0 HG SER A 203 26.303 48.577 22.227 1.00 13.71 H new ATOM 1541 N TYR A 204 25.642 46.024 18.670 1.00 11.83 N ATOM 1542 CA TYR A 204 25.750 44.570 18.535 1.00 12.35 C ATOM 1543 C TYR A 204 27.135 44.193 18.052 1.00 12.12 C ATOM 1544 O TYR A 204 27.780 44.987 17.355 1.00 12.13 O ATOM 1545 CB TYR A 204 24.657 44.004 17.608 1.00 12.02 C ATOM 1546 CG TYR A 204 24.805 44.313 16.119 1.00 12.07 C ATOM 1547 CD1 TYR A 204 25.069 43.296 15.199 1.00 12.46 C ATOM 1548 CD2 TYR A 204 24.646 45.615 15.630 1.00 12.65 C ATOM 1549 CE1 TYR A 204 25.189 43.572 13.833 1.00 12.12 C ATOM 1550 CE2 TYR A 204 24.759 45.901 14.266 1.00 11.83 C ATOM 1551 CZ TYR A 204 25.032 44.880 13.379 1.00 10.98 C ATOM 1552 OH TYR A 204 25.148 45.159 12.045 1.00 12.35 O ATOM 0 H TYR A 204 26.125 46.473 18.118 1.00 11.83 H new ATOM 0 HA TYR A 204 25.611 44.173 19.409 1.00 12.35 H new ATOM 0 HB2 TYR A 204 24.633 43.041 17.718 1.00 12.02 H new ATOM 0 HB3 TYR A 204 23.799 44.345 17.906 1.00 12.02 H new ATOM 0 HD1 TYR A 204 25.167 42.421 15.499 1.00 12.46 H new ATOM 0 HD2 TYR A 204 24.461 46.305 16.226 1.00 12.65 H new ATOM 0 HE1 TYR A 204 25.372 42.887 13.232 1.00 12.12 H new ATOM 0 HE2 TYR A 204 24.651 46.772 13.959 1.00 11.83 H new ATOM 0 HH TYR A 204 25.207 45.990 11.936 1.00 12.35 H new ATOM 1553 N MET A 205 27.587 42.998 18.435 1.00 11.94 N ATOM 1554 CA MET A 205 28.907 42.507 18.038 1.00 12.06 C ATOM 1555 C MET A 205 28.818 41.705 16.749 1.00 11.70 C ATOM 1556 O MET A 205 27.860 40.964 16.538 1.00 11.71 O ATOM 1557 CB MET A 205 29.513 41.635 19.143 1.00 12.41 C ATOM 1558 CG MET A 205 29.690 42.363 20.468 1.00 12.58 C ATOM 1559 SD MET A 205 30.732 43.833 20.353 1.00 15.18 S ATOM 1560 CE MET A 205 32.301 43.122 19.887 1.00 14.56 C ATOM 0 H MET A 205 27.141 42.453 18.928 1.00 11.94 H new ATOM 0 HA MET A 205 29.479 43.277 17.892 1.00 12.06 H new ATOM 0 HB2 MET A 205 28.945 40.861 19.282 1.00 12.41 H new ATOM 0 HB3 MET A 205 30.375 41.304 18.847 1.00 12.41 H new ATOM 0 HG2 MET A 205 28.818 42.620 20.806 1.00 12.58 H new ATOM 0 HG3 MET A 205 30.076 41.752 21.115 1.00 12.58 H new ATOM 0 HE1 MET A 205 33.001 43.786 19.991 1.00 14.56 H new ATOM 0 HE2 MET A 205 32.492 42.359 20.455 1.00 14.56 H new ATOM 0 HE3 MET A 205 32.264 42.834 18.962 1.00 14.56 H new ATOM 1561 N VAL A 206 29.823 41.869 15.893 1.00 12.04 N ATOM 1562 CA VAL A 206 30.004 41.025 14.720 1.00 11.92 C ATOM 1563 C VAL A 206 31.423 40.480 14.874 1.00 12.83 C ATOM 1564 O VAL A 206 32.404 41.175 14.595 1.00 12.42 O ATOM 1565 CB VAL A 206 29.839 41.822 13.401 1.00 11.97 C ATOM 1566 CG1 VAL A 206 30.080 40.925 12.192 1.00 11.61 C ATOM 1567 CG2 VAL A 206 28.452 42.442 13.334 1.00 11.33 C ATOM 0 H VAL A 206 30.423 42.479 15.979 1.00 12.04 H new ATOM 0 HA VAL A 206 29.338 40.322 14.667 1.00 11.92 H new ATOM 0 HB VAL A 206 30.500 42.532 13.387 1.00 11.97 H new ATOM 0 HG11 VAL A 206 29.972 41.442 11.378 1.00 11.61 H new ATOM 0 HG12 VAL A 206 30.980 40.566 12.229 1.00 11.61 H new ATOM 0 HG13 VAL A 206 29.441 40.195 12.198 1.00 11.61 H new ATOM 0 HG21 VAL A 206 28.359 42.938 12.506 1.00 11.33 H new ATOM 0 HG22 VAL A 206 27.782 41.741 13.368 1.00 11.33 H new ATOM 0 HG23 VAL A 206 28.329 43.043 14.086 1.00 11.33 H new ATOM 1568 N GLY A 207 31.529 39.251 15.370 1.00 13.60 N ATOM 1569 CA GLY A 207 32.815 38.767 15.867 1.00 14.87 C ATOM 1570 C GLY A 207 33.305 39.731 16.938 1.00 15.72 C ATOM 1571 O GLY A 207 32.547 40.102 17.838 1.00 15.91 O ATOM 0 H GLY A 207 30.881 38.689 15.428 1.00 13.60 H new ATOM 0 HA2 GLY A 207 32.721 37.874 16.233 1.00 14.87 H new ATOM 0 HA3 GLY A 207 33.458 38.711 15.143 1.00 14.87 H new ATOM 1572 N LYS A 208 34.552 40.178 16.821 1.00 16.43 N ATOM 1573 CA LYS A 208 35.137 41.072 17.836 1.00 18.13 C ATOM 1574 C LYS A 208 34.853 42.565 17.593 1.00 17.46 C ATOM 1575 O LYS A 208 35.286 43.428 18.369 1.00 17.72 O ATOM 1576 CB LYS A 208 36.644 40.812 17.978 1.00 18.26 C ATOM 1577 CG LYS A 208 36.977 39.388 18.439 1.00 20.10 C ATOM 1578 CD LYS A 208 38.488 39.132 18.478 1.00 21.09 C ATOM 1579 CE LYS A 208 38.804 37.635 18.516 1.00 25.51 C ATOM 1580 NZ LYS A 208 38.434 36.991 19.819 1.00 29.84 N ATOM 0 H LYS A 208 35.078 39.981 16.169 1.00 16.43 H new ATOM 0 HA LYS A 208 34.694 40.857 18.672 1.00 18.13 H new ATOM 0 HB2 LYS A 208 37.075 40.978 17.125 1.00 18.26 H new ATOM 0 HB3 LYS A 208 37.016 41.445 18.612 1.00 18.26 H new ATOM 0 HG2 LYS A 208 36.602 39.239 19.321 1.00 20.10 H new ATOM 0 HG3 LYS A 208 36.557 38.750 17.841 1.00 20.10 H new ATOM 0 HD2 LYS A 208 38.905 39.532 17.699 1.00 21.09 H new ATOM 0 HD3 LYS A 208 38.870 39.564 19.258 1.00 21.09 H new ATOM 0 HE2 LYS A 208 38.330 37.191 17.795 1.00 25.51 H new ATOM 0 HE3 LYS A 208 39.752 37.505 18.354 1.00 25.51 H new ATOM 0 HZ1 LYS A 208 38.637 36.125 19.790 1.00 29.84 H new ATOM 0 HZ2 LYS A 208 38.885 37.379 20.481 1.00 29.84 H new ATOM 0 HZ3 LYS A 208 37.560 37.086 19.960 1.00 29.84 H new ATOM 1581 N ARG A 209 34.109 42.866 16.531 1.00 16.72 N ATOM 1582 CA ARG A 209 33.842 44.250 16.148 1.00 16.93 C ATOM 1583 C ARG A 209 32.448 44.704 16.584 1.00 16.43 C ATOM 1584 O ARG A 209 31.473 43.979 16.399 1.00 16.46 O ATOM 1585 CB ARG A 209 33.991 44.418 14.639 1.00 16.96 C ATOM 1586 CG ARG A 209 33.830 45.866 14.175 1.00 19.46 C ATOM 1587 CD ARG A 209 34.245 46.043 12.725 1.00 23.76 C ATOM 1588 NE ARG A 209 35.677 45.801 12.532 1.00 26.77 N ATOM 1589 CZ ARG A 209 36.624 46.738 12.606 1.00 28.47 C ATOM 1590 NH1 ARG A 209 36.312 48.001 12.886 1.00 27.92 N ATOM 1591 NH2 ARG A 209 37.894 46.403 12.416 1.00 28.72 N ATOM 0 H ARG A 209 33.748 42.279 16.016 1.00 16.72 H new ATOM 0 HA ARG A 209 34.492 44.807 16.603 1.00 16.93 H new ATOM 0 HB2 ARG A 209 34.864 44.093 14.368 1.00 16.96 H new ATOM 0 HB3 ARG A 209 33.331 43.866 14.191 1.00 16.96 H new ATOM 0 HG2 ARG A 209 32.905 46.139 14.282 1.00 19.46 H new ATOM 0 HG3 ARG A 209 34.365 46.447 14.738 1.00 19.46 H new ATOM 0 HD2 ARG A 209 33.737 45.434 12.167 1.00 23.76 H new ATOM 0 HD3 ARG A 209 34.028 46.943 12.434 1.00 23.76 H new ATOM 0 HE ARG A 209 35.925 44.996 12.358 1.00 26.77 H new ATOM 0 HH11 ARG A 209 35.492 48.221 13.022 1.00 27.92 H new ATOM 0 HH12 ARG A 209 36.931 48.597 12.931 1.00 27.92 H new ATOM 0 HH21 ARG A 209 38.102 45.586 12.246 1.00 28.72 H new ATOM 0 HH22 ARG A 209 38.509 47.003 12.463 1.00 28.72 H new ATOM 1592 N GLU A 210 32.359 45.906 17.146 1.00 15.94 N ATOM 1593 CA GLU A 210 31.071 46.448 17.572 1.00 15.40 C ATOM 1594 C GLU A 210 30.483 47.405 16.531 1.00 14.75 C ATOM 1595 O GLU A 210 31.175 48.310 16.041 1.00 14.23 O ATOM 1596 CB GLU A 210 31.209 47.167 18.915 1.00 16.31 C ATOM 1597 CG GLU A 210 29.871 47.565 19.537 1.00 18.71 C ATOM 1598 CD GLU A 210 30.048 48.352 20.817 1.00 24.36 C ATOM 1599 OE1 GLU A 210 30.612 47.795 21.777 1.00 27.53 O ATOM 1600 OE2 GLU A 210 29.625 49.526 20.860 1.00 26.70 O ATOM 0 H GLU A 210 33.031 46.423 17.290 1.00 15.94 H new ATOM 0 HA GLU A 210 30.463 45.699 17.669 1.00 15.40 H new ATOM 0 HB2 GLU A 210 31.686 46.592 19.533 1.00 16.31 H new ATOM 0 HB3 GLU A 210 31.750 47.963 18.793 1.00 16.31 H new ATOM 0 HG2 GLU A 210 29.365 48.095 18.901 1.00 18.71 H new ATOM 0 HG3 GLU A 210 29.351 46.767 19.719 1.00 18.71 H new ATOM 1601 N PHE A 211 29.203 47.199 16.216 1.00 13.58 N ATOM 1602 CA PHE A 211 28.446 48.093 15.346 1.00 13.11 C ATOM 1603 C PHE A 211 27.285 48.709 16.131 1.00 12.92 C ATOM 1604 O PHE A 211 26.797 48.115 17.093 1.00 12.83 O ATOM 1605 CB PHE A 211 27.900 47.341 14.125 1.00 12.94 C ATOM 1606 CG PHE A 211 28.926 47.051 13.064 1.00 12.20 C ATOM 1607 CD1 PHE A 211 29.064 47.898 11.955 1.00 12.53 C ATOM 1608 CD2 PHE A 211 29.727 45.917 13.144 1.00 12.42 C ATOM 1609 CE1 PHE A 211 30.012 47.616 10.957 1.00 11.24 C ATOM 1610 CE2 PHE A 211 30.682 45.629 12.156 1.00 11.83 C ATOM 1611 CZ PHE A 211 30.826 46.480 11.065 1.00 11.77 C ATOM 0 H PHE A 211 28.748 46.529 16.505 1.00 13.58 H new ATOM 0 HA PHE A 211 29.041 48.793 15.033 1.00 13.11 H new ATOM 0 HB2 PHE A 211 27.512 46.503 14.422 1.00 12.94 H new ATOM 0 HB3 PHE A 211 27.183 47.862 13.732 1.00 12.94 H new ATOM 0 HD1 PHE A 211 28.524 48.652 11.880 1.00 12.53 H new ATOM 0 HD2 PHE A 211 29.628 45.339 13.865 1.00 12.42 H new ATOM 0 HE1 PHE A 211 30.099 48.183 10.225 1.00 11.24 H new ATOM 0 HE2 PHE A 211 31.217 44.872 12.231 1.00 11.83 H new ATOM 0 HZ PHE A 211 31.460 46.296 10.410 1.00 11.77 H new ATOM 1612 N SER A 212 26.842 49.892 15.711 1.00 12.58 N ATOM 1613 CA SER A 212 25.805 50.608 16.450 1.00 12.71 C ATOM 1614 C SER A 212 24.416 50.087 16.105 1.00 12.86 C ATOM 1615 O SER A 212 24.222 49.437 15.073 1.00 13.10 O ATOM 1616 CB SER A 212 25.891 52.114 16.180 1.00 13.03 C ATOM 1617 OG SER A 212 27.228 52.564 16.299 1.00 14.51 O ATOM 0 H SER A 212 27.126 50.295 15.006 1.00 12.58 H new ATOM 0 HA SER A 212 25.957 50.451 17.395 1.00 12.71 H new ATOM 0 HB2 SER A 212 25.557 52.308 15.290 1.00 13.03 H new ATOM 0 HB3 SER A 212 25.326 52.593 16.806 1.00 13.03 H new ATOM 0 HG SER A 212 27.603 52.164 16.936 1.00 14.51 H new ATOM 1618 N CYS A 213 23.461 50.357 16.987 1.00 13.20 N ATOM 1619 CA CYS A 213 22.042 50.167 16.686 1.00 13.52 C ATOM 1620 C CYS A 213 21.277 51.320 17.284 1.00 12.87 C ATOM 1621 O CYS A 213 21.688 51.876 18.309 1.00 12.97 O ATOM 1622 CB CYS A 213 21.504 48.901 17.340 1.00 14.56 C ATOM 1623 SG CYS A 213 22.243 47.382 16.833 1.00 19.73 S ATOM 0 H CYS A 213 23.615 50.656 17.779 1.00 13.20 H new ATOM 0 HA CYS A 213 21.940 50.108 15.723 1.00 13.52 H new ATOM 0 HB2 CYS A 213 21.611 48.986 18.300 1.00 14.56 H new ATOM 0 HB3 CYS A 213 20.551 48.849 17.164 1.00 14.56 H new ATOM 0 HG CYS A 213 23.158 47.610 16.090 1.00 19.73 H new ATOM 1624 N VAL A 214 20.144 51.662 16.676 1.00 11.63 N ATOM 1625 CA VAL A 214 19.211 52.570 17.329 1.00 10.96 C ATOM 1626 C VAL A 214 18.326 51.795 18.308 1.00 10.99 C ATOM 1627 O VAL A 214 17.707 50.780 17.946 1.00 11.04 O ATOM 1628 CB VAL A 214 18.372 53.425 16.332 1.00 10.74 C ATOM 1629 CG1 VAL A 214 17.580 52.547 15.320 1.00 10.54 C ATOM 1630 CG2 VAL A 214 17.438 54.372 17.093 1.00 11.42 C ATOM 0 H VAL A 214 19.901 51.384 15.899 1.00 11.63 H new ATOM 0 HA VAL A 214 19.739 53.214 17.826 1.00 10.96 H new ATOM 0 HB VAL A 214 18.994 53.956 15.811 1.00 10.74 H new ATOM 0 HG11 VAL A 214 17.074 53.119 14.722 1.00 10.54 H new ATOM 0 HG12 VAL A 214 18.200 52.008 14.804 1.00 10.54 H new ATOM 0 HG13 VAL A 214 16.971 51.966 15.802 1.00 10.54 H new ATOM 0 HG21 VAL A 214 16.923 54.897 16.460 1.00 11.42 H new ATOM 0 HG22 VAL A 214 16.835 53.854 17.649 1.00 11.42 H new ATOM 0 HG23 VAL A 214 17.964 54.965 17.652 1.00 11.42 H new ATOM 1631 N ALA A 215 18.314 52.255 19.556 1.00 10.20 N ATOM 1632 CA ALA A 215 17.513 51.619 20.600 1.00 10.88 C ATOM 1633 C ALA A 215 16.077 52.095 20.473 1.00 10.81 C ATOM 1634 O ALA A 215 15.786 53.287 20.676 1.00 10.85 O ATOM 1635 CB ALA A 215 18.064 51.946 21.989 1.00 11.33 C ATOM 0 H ALA A 215 18.765 52.938 19.820 1.00 10.20 H new ATOM 0 HA ALA A 215 17.551 50.656 20.490 1.00 10.88 H new ATOM 0 HB1 ALA A 215 17.518 51.514 22.664 1.00 11.33 H new ATOM 0 HB2 ALA A 215 18.977 51.626 22.059 1.00 11.33 H new ATOM 0 HB3 ALA A 215 18.048 52.906 22.126 1.00 11.33 H new ATOM 1636 N LEU A 216 15.192 51.160 20.129 1.00 10.83 N ATOM 1637 CA LEU A 216 13.781 51.448 19.841 1.00 10.78 C ATOM 1638 C LEU A 216 12.865 50.703 20.805 1.00 11.15 C ATOM 1639 O LEU A 216 13.101 49.535 21.105 1.00 10.79 O ATOM 1640 CB LEU A 216 13.435 50.993 18.417 1.00 11.41 C ATOM 1641 CG LEU A 216 14.181 51.616 17.236 1.00 11.83 C ATOM 1642 CD1 LEU A 216 13.958 50.801 15.952 1.00 11.77 C ATOM 1643 CD2 LEU A 216 13.708 53.043 17.034 1.00 11.97 C ATOM 0 H LEU A 216 15.395 50.328 20.055 1.00 10.83 H new ATOM 0 HA LEU A 216 13.650 52.404 19.938 1.00 10.78 H new ATOM 0 HB2 LEU A 216 13.571 50.033 18.375 1.00 11.41 H new ATOM 0 HB3 LEU A 216 12.488 51.152 18.281 1.00 11.41 H new ATOM 0 HG LEU A 216 15.131 51.613 17.433 1.00 11.83 H new ATOM 0 HD11 LEU A 216 14.440 51.214 15.218 1.00 11.77 H new ATOM 0 HD12 LEU A 216 14.283 49.896 16.082 1.00 11.77 H new ATOM 0 HD13 LEU A 216 13.011 50.777 15.744 1.00 11.77 H new ATOM 0 HD21 LEU A 216 14.181 53.438 16.285 1.00 11.97 H new ATOM 0 HD22 LEU A 216 12.755 53.046 16.852 1.00 11.97 H new ATOM 0 HD23 LEU A 216 13.885 53.559 17.836 1.00 11.97 H new ATOM 1644 N GLU A 217 11.817 51.377 21.262 1.00 11.16 N ATOM 1645 CA GLU A 217 10.757 50.720 22.029 1.00 11.76 C ATOM 1646 C GLU A 217 9.676 50.302 21.056 1.00 10.98 C ATOM 1647 O GLU A 217 9.472 50.963 20.028 1.00 10.54 O ATOM 1648 CB GLU A 217 10.170 51.669 23.082 1.00 12.61 C ATOM 1649 CG GLU A 217 11.183 52.216 24.080 1.00 16.81 C ATOM 1650 CD GLU A 217 11.766 51.159 24.996 1.00 23.93 C ATOM 1651 OE1 GLU A 217 11.075 50.164 25.322 1.00 26.46 O ATOM 1652 OE2 GLU A 217 12.937 51.327 25.404 1.00 28.68 O ATOM 0 H GLU A 217 11.697 52.220 21.140 1.00 11.16 H new ATOM 0 HA GLU A 217 11.120 49.951 22.496 1.00 11.76 H new ATOM 0 HB2 GLU A 217 9.746 52.414 22.628 1.00 12.61 H new ATOM 0 HB3 GLU A 217 9.474 51.201 23.569 1.00 12.61 H new ATOM 0 HG2 GLU A 217 11.904 52.645 23.594 1.00 16.81 H new ATOM 0 HG3 GLU A 217 10.757 52.901 24.619 1.00 16.81 H new ATOM 1653 N LYS A 218 8.936 49.246 21.378 1.00 10.33 N ATOM 1654 CA LYS A 218 7.925 48.781 20.427 1.00 10.19 C ATOM 1655 C LYS A 218 6.808 49.794 20.180 1.00 9.89 C ATOM 1656 O LYS A 218 6.275 49.861 19.072 1.00 9.67 O ATOM 1657 CB LYS A 218 7.383 47.380 20.765 1.00 10.07 C ATOM 1658 CG LYS A 218 6.551 47.266 22.032 1.00 10.73 C ATOM 1659 CD LYS A 218 6.291 45.785 22.283 1.00 11.43 C ATOM 1660 CE LYS A 218 5.501 45.547 23.547 1.00 13.74 C ATOM 1661 NZ LYS A 218 6.195 46.016 24.782 1.00 14.03 N ATOM 0 H LYS A 218 8.996 48.799 22.110 1.00 10.33 H new ATOM 0 HA LYS A 218 8.394 48.697 19.582 1.00 10.19 H new ATOM 0 HB2 LYS A 218 6.844 47.074 20.019 1.00 10.07 H new ATOM 0 HB3 LYS A 218 8.136 46.772 20.839 1.00 10.07 H new ATOM 0 HG2 LYS A 218 7.019 47.662 22.784 1.00 10.73 H new ATOM 0 HG3 LYS A 218 5.714 47.747 21.934 1.00 10.73 H new ATOM 0 HD2 LYS A 218 5.810 45.411 21.528 1.00 11.43 H new ATOM 0 HD3 LYS A 218 7.138 45.315 22.340 1.00 11.43 H new ATOM 0 HE2 LYS A 218 4.645 45.998 23.475 1.00 13.74 H new ATOM 0 HE3 LYS A 218 5.315 44.599 23.630 1.00 13.74 H new ATOM 0 HZ1 LYS A 218 5.985 45.482 25.462 1.00 14.03 H new ATOM 0 HZ2 LYS A 218 7.075 45.999 24.653 1.00 14.03 H new ATOM 0 HZ3 LYS A 218 5.939 46.848 24.969 1.00 14.03 H new ATOM 1662 N GLY A 219 6.474 50.600 21.189 1.00 9.84 N ATOM 1663 CA GLY A 219 5.510 51.684 21.000 1.00 9.77 C ATOM 1664 C GLY A 219 5.965 52.647 19.907 1.00 9.58 C ATOM 1665 O GLY A 219 5.161 53.070 19.076 1.00 9.98 O ATOM 0 H GLY A 219 6.792 50.536 21.985 1.00 9.84 H new ATOM 0 HA2 GLY A 219 4.645 51.313 20.767 1.00 9.77 H new ATOM 0 HA3 GLY A 219 5.396 52.168 21.833 1.00 9.77 H new ATOM 1666 N GLU A 220 7.256 52.993 19.927 1.00 9.41 N ATOM 1667 CA GLU A 220 7.861 53.878 18.924 1.00 9.40 C ATOM 1668 C GLU A 220 7.818 53.248 17.535 1.00 9.30 C ATOM 1669 O GLU A 220 7.451 53.905 16.551 1.00 9.28 O ATOM 1670 CB GLU A 220 9.310 54.207 19.293 1.00 9.42 C ATOM 1671 CG GLU A 220 9.424 55.026 20.570 1.00 11.34 C ATOM 1672 CD GLU A 220 10.850 55.198 21.031 1.00 13.45 C ATOM 1673 OE1 GLU A 220 11.662 54.257 20.886 1.00 12.94 O ATOM 1674 OE2 GLU A 220 11.150 56.290 21.560 1.00 13.79 O ATOM 0 H GLU A 220 7.809 52.719 20.526 1.00 9.41 H new ATOM 0 HA GLU A 220 7.343 54.698 18.910 1.00 9.40 H new ATOM 0 HB2 GLU A 220 9.808 53.381 19.398 1.00 9.42 H new ATOM 0 HB3 GLU A 220 9.722 54.695 18.563 1.00 9.42 H new ATOM 0 HG2 GLU A 220 9.028 55.900 20.425 1.00 11.34 H new ATOM 0 HG3 GLU A 220 8.912 54.595 21.272 1.00 11.34 H new ATOM 1675 N VAL A 221 8.204 51.976 17.464 1.00 8.91 N ATOM 1676 CA VAL A 221 8.156 51.219 16.205 1.00 8.72 C ATOM 1677 C VAL A 221 6.728 51.215 15.647 1.00 8.54 C ATOM 1678 O VAL A 221 6.495 51.532 14.468 1.00 8.01 O ATOM 1679 CB VAL A 221 8.681 49.773 16.404 1.00 8.70 C ATOM 1680 CG1 VAL A 221 8.490 48.953 15.131 1.00 9.41 C ATOM 1681 CG2 VAL A 221 10.173 49.812 16.795 1.00 9.07 C ATOM 0 H VAL A 221 8.499 51.527 18.136 1.00 8.91 H new ATOM 0 HA VAL A 221 8.737 51.654 15.561 1.00 8.72 H new ATOM 0 HB VAL A 221 8.175 49.351 17.116 1.00 8.70 H new ATOM 0 HG11 VAL A 221 8.823 48.053 15.273 1.00 9.41 H new ATOM 0 HG12 VAL A 221 7.547 48.917 14.908 1.00 9.41 H new ATOM 0 HG13 VAL A 221 8.979 49.367 14.403 1.00 9.41 H new ATOM 0 HG21 VAL A 221 10.499 48.907 16.919 1.00 9.07 H new ATOM 0 HG22 VAL A 221 10.681 50.245 16.091 1.00 9.07 H new ATOM 0 HG23 VAL A 221 10.278 50.309 17.621 1.00 9.07 H new ATOM 1682 N GLU A 222 5.776 50.887 16.514 1.00 8.31 N ATOM 1683 CA GLU A 222 4.370 50.817 16.128 1.00 7.98 C ATOM 1684 C GLU A 222 3.872 52.158 15.591 1.00 8.46 C ATOM 1685 O GLU A 222 3.258 52.197 14.530 1.00 9.19 O ATOM 1686 CB GLU A 222 3.517 50.304 17.294 1.00 8.45 C ATOM 1687 CG GLU A 222 3.811 48.827 17.571 1.00 6.82 C ATOM 1688 CD GLU A 222 3.578 48.384 19.013 1.00 8.38 C ATOM 1689 OE1 GLU A 222 2.994 49.146 19.819 1.00 9.57 O ATOM 1690 OE2 GLU A 222 4.012 47.255 19.344 1.00 8.72 O ATOM 0 H GLU A 222 5.925 50.699 17.340 1.00 8.31 H new ATOM 0 HA GLU A 222 4.283 50.180 15.402 1.00 7.98 H new ATOM 0 HB2 GLU A 222 3.698 50.829 18.089 1.00 8.45 H new ATOM 0 HB3 GLU A 222 2.576 50.418 17.087 1.00 8.45 H new ATOM 0 HG2 GLU A 222 3.257 48.286 16.987 1.00 6.82 H new ATOM 0 HG3 GLU A 222 4.734 48.645 17.336 1.00 6.82 H new ATOM 1691 N GLN A 223 4.178 53.250 16.291 1.00 8.45 N ATOM 1692 CA GLN A 223 3.791 54.583 15.819 1.00 9.12 C ATOM 1693 C GLN A 223 4.426 54.897 14.461 1.00 8.82 C ATOM 1694 O GLN A 223 3.774 55.483 13.584 1.00 9.46 O ATOM 1695 CB GLN A 223 4.165 55.667 16.838 1.00 8.98 C ATOM 1696 CG GLN A 223 3.559 57.038 16.508 1.00 8.89 C ATOM 1697 CD GLN A 223 2.053 57.022 16.509 1.00 9.75 C ATOM 1698 OE1 GLN A 223 1.420 56.887 17.563 1.00 10.20 O ATOM 1699 NE2 GLN A 223 1.464 57.189 15.333 1.00 10.22 N ATOM 0 H GLN A 223 4.606 53.243 17.037 1.00 8.45 H new ATOM 0 HA GLN A 223 2.827 54.580 15.715 1.00 9.12 H new ATOM 0 HB2 GLN A 223 3.867 55.391 17.719 1.00 8.98 H new ATOM 0 HB3 GLN A 223 5.131 55.747 16.877 1.00 8.98 H new ATOM 0 HG2 GLN A 223 3.872 57.690 17.154 1.00 8.89 H new ATOM 0 HG3 GLN A 223 3.875 57.326 15.638 1.00 8.89 H new ATOM 0 HE21 GLN A 223 1.940 57.279 14.623 1.00 10.22 H new ATOM 0 HE22 GLN A 223 0.606 57.207 15.281 1.00 10.22 H new ATOM 1700 N ALA A 224 5.703 54.533 14.312 1.00 8.81 N ATOM 1701 CA ALA A 224 6.468 54.772 13.076 1.00 8.45 C ATOM 1702 C ALA A 224 5.818 54.068 11.886 1.00 8.38 C ATOM 1703 O ALA A 224 5.716 54.630 10.783 1.00 8.11 O ATOM 1704 CB ALA A 224 7.923 54.296 13.253 1.00 8.17 C ATOM 0 H ALA A 224 6.155 54.138 14.928 1.00 8.81 H new ATOM 0 HA ALA A 224 6.469 55.725 12.897 1.00 8.45 H new ATOM 0 HB1 ALA A 224 8.418 54.457 12.435 1.00 8.17 H new ATOM 0 HB2 ALA A 224 8.337 54.784 13.982 1.00 8.17 H new ATOM 0 HB3 ALA A 224 7.931 53.347 13.453 1.00 8.17 H new ATOM 1705 N VAL A 225 5.354 52.836 12.123 1.00 7.92 N ATOM 1706 CA VAL A 225 4.697 52.043 11.094 1.00 7.63 C ATOM 1707 C VAL A 225 3.382 52.705 10.660 1.00 8.04 C ATOM 1708 O VAL A 225 3.144 52.872 9.470 1.00 7.92 O ATOM 1709 CB VAL A 225 4.465 50.569 11.562 1.00 7.78 C ATOM 1710 CG1 VAL A 225 3.478 49.844 10.642 1.00 6.86 C ATOM 1711 CG2 VAL A 225 5.813 49.811 11.594 1.00 7.67 C ATOM 0 H VAL A 225 5.414 52.443 12.885 1.00 7.92 H new ATOM 0 HA VAL A 225 5.286 52.007 10.324 1.00 7.63 H new ATOM 0 HB VAL A 225 4.084 50.590 12.454 1.00 7.78 H new ATOM 0 HG11 VAL A 225 3.353 48.934 10.954 1.00 6.86 H new ATOM 0 HG12 VAL A 225 2.626 50.309 10.650 1.00 6.86 H new ATOM 0 HG13 VAL A 225 3.829 49.829 9.738 1.00 6.86 H new ATOM 0 HG21 VAL A 225 5.664 48.898 11.885 1.00 7.67 H new ATOM 0 HG22 VAL A 225 6.204 49.808 10.706 1.00 7.67 H new ATOM 0 HG23 VAL A 225 6.418 50.252 12.211 1.00 7.67 H new ATOM 1712 N LEU A 226 2.550 53.094 11.625 1.00 8.31 N ATOM 1713 CA LEU A 226 1.312 53.807 11.302 1.00 9.01 C ATOM 1714 C LEU A 226 1.617 55.086 10.513 1.00 9.47 C ATOM 1715 O LEU A 226 0.965 55.362 9.486 1.00 9.92 O ATOM 1716 CB LEU A 226 0.530 54.134 12.574 1.00 9.30 C ATOM 1717 CG LEU A 226 0.071 52.892 13.355 1.00 9.54 C ATOM 1718 CD1 LEU A 226 -0.652 53.311 14.638 1.00 10.16 C ATOM 1719 CD2 LEU A 226 -0.820 51.980 12.503 1.00 10.07 C ATOM 0 H LEU A 226 2.680 52.957 12.464 1.00 8.31 H new ATOM 0 HA LEU A 226 0.764 53.229 10.748 1.00 9.01 H new ATOM 0 HB2 LEU A 226 1.083 54.683 13.152 1.00 9.30 H new ATOM 0 HB3 LEU A 226 -0.248 54.664 12.339 1.00 9.30 H new ATOM 0 HG LEU A 226 0.862 52.382 13.591 1.00 9.54 H new ATOM 0 HD11 LEU A 226 -0.937 52.520 15.122 1.00 10.16 H new ATOM 0 HD12 LEU A 226 -0.050 53.831 15.194 1.00 10.16 H new ATOM 0 HD13 LEU A 226 -1.428 53.848 14.412 1.00 10.16 H new ATOM 0 HD21 LEU A 226 -1.089 51.209 13.027 1.00 10.07 H new ATOM 0 HD22 LEU A 226 -1.608 52.470 12.220 1.00 10.07 H new ATOM 0 HD23 LEU A 226 -0.327 51.683 11.722 1.00 10.07 H new ATOM 1720 N ASP A 227 2.603 55.846 10.990 1.00 9.58 N ATOM 1721 CA ASP A 227 2.963 57.139 10.387 1.00 10.20 C ATOM 1722 C ASP A 227 3.537 57.013 8.964 1.00 10.96 C ATOM 1723 O ASP A 227 3.490 57.984 8.183 1.00 11.58 O ATOM 1724 CB ASP A 227 3.922 57.919 11.301 1.00 10.57 C ATOM 1725 CG ASP A 227 3.242 58.416 12.580 1.00 9.65 C ATOM 1726 OD1 ASP A 227 1.993 58.358 12.678 1.00 11.15 O ATOM 1727 OD2 ASP A 227 3.963 58.855 13.492 1.00 12.03 O ATOM 0 H ASP A 227 3.083 55.631 11.670 1.00 9.58 H new ATOM 0 HA ASP A 227 2.136 57.638 10.299 1.00 10.20 H new ATOM 0 HB2 ASP A 227 4.672 57.351 11.537 1.00 10.57 H new ATOM 0 HB3 ASP A 227 4.282 58.677 10.815 1.00 10.57 H new ATOM 1728 N ALA A 228 4.047 55.827 8.623 1.00 10.53 N ATOM 1729 CA ALA A 228 4.548 55.552 7.261 1.00 10.36 C ATOM 1730 C ALA A 228 3.443 55.169 6.270 1.00 10.47 C ATOM 1731 O ALA A 228 3.724 54.877 5.107 1.00 10.88 O ATOM 1732 CB ALA A 228 5.662 54.503 7.272 1.00 10.58 C ATOM 0 H ALA A 228 4.114 55.162 9.165 1.00 10.53 H new ATOM 0 HA ALA A 228 4.920 56.390 6.945 1.00 10.36 H new ATOM 0 HB1 ALA A 228 5.968 54.346 6.365 1.00 10.58 H new ATOM 0 HB2 ALA A 228 6.402 54.822 7.812 1.00 10.58 H new ATOM 0 HB3 ALA A 228 5.323 53.675 7.646 1.00 10.58 H new ATOM 1733 N GLY A 229 2.185 55.206 6.712 1.00 10.18 N ATOM 1734 CA GLY A 229 1.060 54.941 5.812 1.00 10.16 C ATOM 1735 C GLY A 229 0.577 53.503 5.824 1.00 10.35 C ATOM 1736 O GLY A 229 -0.126 53.080 4.901 1.00 11.01 O ATOM 0 H GLY A 229 1.962 55.381 7.524 1.00 10.18 H new ATOM 0 HA2 GLY A 229 0.322 55.521 6.055 1.00 10.16 H new ATOM 0 HA3 GLY A 229 1.320 55.176 4.908 1.00 10.16 H new ATOM 1737 N PHE A 230 0.943 52.759 6.864 1.00 9.86 N ATOM 1738 CA PHE A 230 0.495 51.370 7.035 1.00 9.85 C ATOM 1739 C PHE A 230 -0.555 51.305 8.131 1.00 9.89 C ATOM 1740 O PHE A 230 -0.619 52.189 8.983 1.00 9.98 O ATOM 1741 CB PHE A 230 1.645 50.483 7.530 1.00 10.01 C ATOM 1742 CG PHE A 230 2.782 50.333 6.562 1.00 9.75 C ATOM 1743 CD1 PHE A 230 2.742 49.344 5.576 1.00 10.49 C ATOM 1744 CD2 PHE A 230 3.912 51.136 6.675 1.00 11.88 C ATOM 1745 CE1 PHE A 230 3.808 49.174 4.683 1.00 9.59 C ATOM 1746 CE2 PHE A 230 4.989 50.984 5.790 1.00 11.34 C ATOM 1747 CZ PHE A 230 4.930 49.990 4.786 1.00 11.02 C ATOM 0 H PHE A 230 1.458 53.041 7.493 1.00 9.86 H new ATOM 0 HA PHE A 230 0.159 51.070 6.176 1.00 9.85 H new ATOM 0 HB2 PHE A 230 1.988 50.852 8.359 1.00 10.01 H new ATOM 0 HB3 PHE A 230 1.293 49.603 7.736 1.00 10.01 H new ATOM 0 HD1 PHE A 230 1.997 48.791 5.512 1.00 10.49 H new ATOM 0 HD2 PHE A 230 3.954 51.780 7.344 1.00 11.88 H new ATOM 0 HE1 PHE A 230 3.766 48.519 4.024 1.00 9.59 H new ATOM 0 HE2 PHE A 230 5.736 51.533 5.863 1.00 11.34 H new ATOM 0 HZ PHE A 230 5.640 49.882 4.195 1.00 11.02 H new ATOM 1748 N ASP A 231 -1.340 50.233 8.142 1.00 9.69 N ATOM 1749 CA ASP A 231 -1.907 49.781 9.408 1.00 10.26 C ATOM 1750 C ASP A 231 -1.192 48.497 9.827 1.00 10.38 C ATOM 1751 O ASP A 231 -0.465 47.893 9.019 1.00 10.88 O ATOM 1752 CB ASP A 231 -3.448 49.652 9.381 1.00 10.76 C ATOM 1753 CG ASP A 231 -3.958 48.597 8.415 1.00 12.68 C ATOM 1754 OD1 ASP A 231 -3.175 47.745 7.950 1.00 14.41 O ATOM 1755 OD2 ASP A 231 -5.180 48.615 8.145 1.00 13.90 O ATOM 0 H ASP A 231 -1.552 49.766 7.452 1.00 9.69 H new ATOM 0 HA ASP A 231 -1.752 50.460 10.084 1.00 10.26 H new ATOM 0 HB2 ASP A 231 -3.762 49.440 10.274 1.00 10.76 H new ATOM 0 HB3 ASP A 231 -3.832 50.510 9.142 1.00 10.76 H new ATOM 1756 N ILE A 232 -1.379 48.091 11.076 1.00 9.72 N ATOM 1757 CA ILE A 232 -0.795 46.841 11.575 1.00 9.60 C ATOM 1758 C ILE A 232 -1.827 45.711 11.404 1.00 9.62 C ATOM 1759 O ILE A 232 -2.972 45.811 11.879 1.00 9.37 O ATOM 1760 CB ILE A 232 -0.350 46.972 13.049 1.00 9.69 C ATOM 1761 CG1 ILE A 232 0.717 48.071 13.202 1.00 10.12 C ATOM 1762 CG2 ILE A 232 0.177 45.625 13.585 1.00 9.21 C ATOM 1763 CD1 ILE A 232 0.976 48.482 14.633 1.00 10.80 C ATOM 0 H ILE A 232 -1.842 48.524 11.657 1.00 9.72 H new ATOM 0 HA ILE A 232 0.002 46.634 11.062 1.00 9.60 H new ATOM 0 HB ILE A 232 -1.125 47.225 13.575 1.00 9.69 H new ATOM 0 HG12 ILE A 232 1.547 47.759 12.809 1.00 10.12 H new ATOM 0 HG13 ILE A 232 0.439 48.851 12.696 1.00 10.12 H new ATOM 0 HG21 ILE A 232 0.450 45.729 14.510 1.00 9.21 H new ATOM 0 HG22 ILE A 232 -0.525 44.957 13.529 1.00 9.21 H new ATOM 0 HG23 ILE A 232 0.937 45.340 13.054 1.00 9.21 H new ATOM 0 HD11 ILE A 232 1.656 49.174 14.653 1.00 10.80 H new ATOM 0 HD12 ILE A 232 0.157 48.822 15.025 1.00 10.80 H new ATOM 0 HD13 ILE A 232 1.282 47.714 15.140 1.00 10.80 H new ATOM 1764 N GLU A 233 -1.409 44.654 10.707 1.00 8.93 N ATOM 1765 CA GLU A 233 -2.268 43.509 10.407 1.00 9.05 C ATOM 1766 C GLU A 233 -1.974 42.335 11.351 1.00 8.47 C ATOM 1767 O GLU A 233 -2.878 41.618 11.762 1.00 8.69 O ATOM 1768 CB GLU A 233 -2.054 43.092 8.955 1.00 8.66 C ATOM 1769 CG GLU A 233 -3.014 42.031 8.429 1.00 10.74 C ATOM 1770 CD GLU A 233 -2.870 41.832 6.924 1.00 10.08 C ATOM 1771 OE1 GLU A 233 -3.133 42.785 6.163 1.00 11.44 O ATOM 1772 OE2 GLU A 233 -2.487 40.718 6.514 1.00 13.93 O ATOM 0 H GLU A 233 -0.612 44.581 10.393 1.00 8.93 H new ATOM 0 HA GLU A 233 -3.194 43.766 10.539 1.00 9.05 H new ATOM 0 HB2 GLU A 233 -2.129 43.880 8.394 1.00 8.66 H new ATOM 0 HB3 GLU A 233 -1.147 42.761 8.860 1.00 8.66 H new ATOM 0 HG2 GLU A 233 -2.848 41.190 8.884 1.00 10.74 H new ATOM 0 HG3 GLU A 233 -3.926 42.289 8.635 1.00 10.74 H new ATOM 1773 N GLN A 234 -0.700 42.126 11.679 1.00 8.04 N ATOM 1774 CA GLN A 234 -0.326 41.140 12.704 1.00 7.66 C ATOM 1775 C GLN A 234 0.874 41.679 13.478 1.00 8.15 C ATOM 1776 O GLN A 234 1.690 42.409 12.926 1.00 7.78 O ATOM 1777 CB GLN A 234 0.050 39.773 12.103 1.00 7.78 C ATOM 1778 CG GLN A 234 -0.877 39.208 11.027 1.00 8.62 C ATOM 1779 CD GLN A 234 -2.211 38.714 11.553 1.00 9.54 C ATOM 1780 OE1 GLN A 234 -2.423 38.579 12.762 1.00 11.36 O ATOM 1781 NE2 GLN A 234 -3.121 38.417 10.631 1.00 11.02 N ATOM 0 H GLN A 234 -0.036 42.541 11.323 1.00 8.04 H new ATOM 0 HA GLN A 234 -1.095 41.005 13.279 1.00 7.66 H new ATOM 0 HB2 GLN A 234 0.941 39.845 11.726 1.00 7.78 H new ATOM 0 HB3 GLN A 234 0.099 39.129 12.827 1.00 7.78 H new ATOM 0 HG2 GLN A 234 -1.038 39.894 10.360 1.00 8.62 H new ATOM 0 HG3 GLN A 234 -0.426 38.476 10.578 1.00 8.62 H new ATOM 0 HE21 GLN A 234 -2.939 38.523 9.797 1.00 11.02 H new ATOM 0 HE22 GLN A 234 -3.892 38.118 10.868 1.00 11.02 H new ATOM 1782 N LEU A 235 0.954 41.343 14.763 1.00 8.18 N ATOM 1783 CA LEU A 235 2.111 41.726 15.573 1.00 8.63 C ATOM 1784 C LEU A 235 2.387 40.601 16.558 1.00 9.22 C ATOM 1785 O LEU A 235 1.485 40.147 17.263 1.00 9.11 O ATOM 1786 CB LEU A 235 1.864 43.059 16.289 1.00 8.86 C ATOM 1787 CG LEU A 235 3.078 43.668 16.993 1.00 9.18 C ATOM 1788 CD1 LEU A 235 2.964 45.193 16.944 1.00 10.21 C ATOM 1789 CD2 LEU A 235 3.189 43.182 18.424 1.00 10.21 C ATOM 0 H LEU A 235 0.353 40.895 15.185 1.00 8.18 H new ATOM 0 HA LEU A 235 2.888 41.859 15.007 1.00 8.63 H new ATOM 0 HB2 LEU A 235 1.532 43.699 15.640 1.00 8.86 H new ATOM 0 HB3 LEU A 235 1.161 42.930 16.945 1.00 8.86 H new ATOM 0 HG LEU A 235 3.885 43.386 16.534 1.00 9.18 H new ATOM 0 HD11 LEU A 235 3.730 45.589 17.388 1.00 10.21 H new ATOM 0 HD12 LEU A 235 2.939 45.486 16.020 1.00 10.21 H new ATOM 0 HD13 LEU A 235 2.150 45.471 17.393 1.00 10.21 H new ATOM 0 HD21 LEU A 235 3.966 43.584 18.843 1.00 10.21 H new ATOM 0 HD22 LEU A 235 2.391 43.434 18.914 1.00 10.21 H new ATOM 0 HD23 LEU A 235 3.281 42.216 18.432 1.00 10.21 H new ATOM 1790 N LEU A 236 3.630 40.139 16.547 1.00 9.38 N ATOM 1791 CA LEU A 236 4.058 39.005 17.361 1.00 11.03 C ATOM 1792 C LEU A 236 5.276 39.465 18.142 1.00 11.21 C ATOM 1793 O LEU A 236 6.312 39.786 17.561 1.00 11.63 O ATOM 1794 CB LEU A 236 4.402 37.794 16.470 1.00 10.95 C ATOM 1795 CG LEU A 236 3.406 37.348 15.372 1.00 12.77 C ATOM 1796 CD1 LEU A 236 3.691 38.033 14.041 1.00 14.56 C ATOM 1797 CD2 LEU A 236 3.433 35.835 15.168 1.00 13.05 C ATOM 0 H LEU A 236 4.256 40.476 16.063 1.00 9.38 H new ATOM 0 HA LEU A 236 3.351 38.721 17.961 1.00 11.03 H new ATOM 0 HB2 LEU A 236 5.248 37.984 16.035 1.00 10.95 H new ATOM 0 HB3 LEU A 236 4.548 37.035 17.056 1.00 10.95 H new ATOM 0 HG LEU A 236 2.525 37.611 15.681 1.00 12.77 H new ATOM 0 HD11 LEU A 236 3.050 37.731 13.378 1.00 14.56 H new ATOM 0 HD12 LEU A 236 3.616 38.994 14.149 1.00 14.56 H new ATOM 0 HD13 LEU A 236 4.588 37.810 13.748 1.00 14.56 H new ATOM 0 HD21 LEU A 236 2.799 35.590 14.476 1.00 13.05 H new ATOM 0 HD22 LEU A 236 4.324 35.560 14.902 1.00 13.05 H new ATOM 0 HD23 LEU A 236 3.192 35.392 15.997 1.00 13.05 H new ATOM 1798 N HIS A 237 5.149 39.507 19.460 1.00 11.22 N ATOM 1799 CA HIS A 237 6.252 39.933 20.318 1.00 11.10 C ATOM 1800 C HIS A 237 6.765 38.748 21.138 1.00 10.94 C ATOM 1801 O HIS A 237 5.997 37.863 21.519 1.00 11.43 O ATOM 1802 CB HIS A 237 5.794 41.059 21.243 1.00 11.14 C ATOM 1803 CG HIS A 237 6.772 41.414 22.318 1.00 12.37 C ATOM 1804 ND1 HIS A 237 6.782 40.790 23.549 1.00 12.68 N ATOM 1805 CD2 HIS A 237 7.763 42.336 22.354 1.00 12.53 C ATOM 1806 CE1 HIS A 237 7.743 41.312 24.293 1.00 13.54 C ATOM 1807 NE2 HIS A 237 8.351 42.252 23.590 1.00 14.50 N ATOM 0 H HIS A 237 4.431 39.293 19.882 1.00 11.22 H new ATOM 0 HA HIS A 237 6.974 40.263 19.761 1.00 11.10 H new ATOM 0 HB2 HIS A 237 5.616 41.849 20.709 1.00 11.14 H new ATOM 0 HB3 HIS A 237 4.955 40.802 21.657 1.00 11.14 H new ATOM 0 HD2 HIS A 237 8.001 42.918 21.668 1.00 12.53 H new ATOM 0 HE1 HIS A 237 7.955 41.060 25.163 1.00 13.54 H new ATOM 0 HE2 HIS A 237 9.009 42.733 23.864 1.00 14.50 H new ATOM 1808 N SER A 238 8.069 38.753 21.383 1.00 11.08 N ATOM 1809 CA SER A 238 8.698 37.795 22.296 1.00 11.13 C ATOM 1810 C SER A 238 9.705 38.527 23.174 1.00 11.26 C ATOM 1811 O SER A 238 10.365 39.469 22.721 1.00 10.97 O ATOM 1812 CB SER A 238 9.402 36.684 21.514 1.00 11.45 C ATOM 1813 OG SER A 238 10.269 35.944 22.362 1.00 11.27 O ATOM 0 H SER A 238 8.618 39.311 21.026 1.00 11.08 H new ATOM 0 HA SER A 238 8.012 37.390 22.849 1.00 11.13 H new ATOM 0 HB2 SER A 238 8.743 36.091 21.121 1.00 11.45 H new ATOM 0 HB3 SER A 238 9.909 37.069 20.782 1.00 11.45 H new ATOM 0 HG SER A 238 10.129 35.122 22.258 1.00 11.27 H new ATOM 1814 N PRO A 239 9.844 38.098 24.440 1.00 11.44 N ATOM 1815 CA PRO A 239 10.862 38.702 25.289 1.00 11.71 C ATOM 1816 C PRO A 239 12.258 38.163 24.979 1.00 11.92 C ATOM 1817 O PRO A 239 13.221 38.614 25.601 1.00 12.82 O ATOM 1818 CB PRO A 239 10.451 38.244 26.694 1.00 12.14 C ATOM 1819 CG PRO A 239 9.821 36.906 26.459 1.00 11.58 C ATOM 1820 CD PRO A 239 9.062 37.069 25.156 1.00 11.75 C ATOM 0 HA PRO A 239 10.910 39.664 25.171 1.00 11.71 H new ATOM 0 HB2 PRO A 239 11.217 38.179 27.286 1.00 12.14 H new ATOM 0 HB3 PRO A 239 9.828 38.865 27.103 1.00 12.14 H new ATOM 0 HG2 PRO A 239 10.490 36.207 26.393 1.00 11.58 H new ATOM 0 HG3 PRO A 239 9.227 36.662 27.186 1.00 11.58 H new ATOM 0 HD2 PRO A 239 9.022 36.238 24.658 1.00 11.75 H new ATOM 0 HD3 PRO A 239 8.147 37.354 25.307 1.00 11.75 H new ATOM 1821 N GLN A 240 12.360 37.220 24.038 1.00 12.12 N ATOM 1822 CA GLN A 240 13.630 36.546 23.739 1.00 11.93 C ATOM 1823 C GLN A 240 14.777 37.533 23.493 1.00 12.86 C ATOM 1824 O GLN A 240 14.625 38.513 22.752 1.00 12.65 O ATOM 1825 CB GLN A 240 13.494 35.586 22.551 1.00 12.00 C ATOM 1826 CG GLN A 240 14.776 34.801 22.289 1.00 13.29 C ATOM 1827 CD GLN A 240 15.038 33.783 23.377 1.00 13.42 C ATOM 1828 OE1 GLN A 240 14.157 32.987 23.708 1.00 12.45 O ATOM 1829 NE2 GLN A 240 16.255 33.786 23.925 1.00 11.47 N ATOM 0 H GLN A 240 11.699 36.954 23.557 1.00 12.12 H new ATOM 0 HA GLN A 240 13.852 36.030 24.530 1.00 11.93 H new ATOM 0 HB2 GLN A 240 12.767 34.966 22.720 1.00 12.00 H new ATOM 0 HB3 GLN A 240 13.258 36.090 21.756 1.00 12.00 H new ATOM 0 HG2 GLN A 240 14.711 34.351 21.432 1.00 13.29 H new ATOM 0 HG3 GLN A 240 15.526 35.414 22.231 1.00 13.29 H new ATOM 0 HE21 GLN A 240 16.842 34.359 23.666 1.00 11.47 H new ATOM 0 HE22 GLN A 240 16.452 33.215 24.537 1.00 11.47 H new ATOM 1830 N SER A 241 15.918 37.276 24.120 1.00 12.66 N ATOM 1831 CA SER A 241 17.085 38.131 23.946 1.00 13.39 C ATOM 1832 C SER A 241 18.251 37.300 23.434 1.00 12.45 C ATOM 1833 O SER A 241 18.267 36.084 23.586 1.00 11.25 O ATOM 1834 CB SER A 241 17.462 38.810 25.261 1.00 14.44 C ATOM 1835 OG SER A 241 17.972 37.872 26.204 1.00 18.81 O ATOM 0 H SER A 241 16.038 36.611 24.651 1.00 12.66 H new ATOM 0 HA SER A 241 16.871 38.822 23.300 1.00 13.39 H new ATOM 0 HB2 SER A 241 18.127 39.496 25.093 1.00 14.44 H new ATOM 0 HB3 SER A 241 16.684 39.254 25.632 1.00 14.44 H new ATOM 0 HG SER A 241 18.172 38.271 26.916 1.00 18.81 H new ATOM 1836 N TYR A 242 19.222 37.972 22.832 1.00 11.47 N ATOM 1837 CA TYR A 242 20.483 37.324 22.482 1.00 10.88 C ATOM 1838 C TYR A 242 21.342 37.202 23.739 1.00 10.98 C ATOM 1839 O TYR A 242 20.960 37.709 24.799 1.00 11.21 O ATOM 1840 CB TYR A 242 21.227 38.206 21.497 1.00 11.46 C ATOM 1841 CG TYR A 242 20.606 38.300 20.125 1.00 11.46 C ATOM 1842 CD1 TYR A 242 20.665 37.223 19.240 1.00 11.17 C ATOM 1843 CD2 TYR A 242 19.995 39.482 19.696 1.00 13.19 C ATOM 1844 CE1 TYR A 242 20.122 37.316 17.953 1.00 11.94 C ATOM 1845 CE2 TYR A 242 19.456 39.589 18.416 1.00 12.61 C ATOM 1846 CZ TYR A 242 19.522 38.505 17.555 1.00 12.95 C ATOM 1847 OH TYR A 242 18.994 38.605 16.294 1.00 13.32 O ATOM 0 H TYR A 242 19.174 38.803 22.617 1.00 11.47 H new ATOM 0 HA TYR A 242 20.308 36.450 22.100 1.00 10.88 H new ATOM 0 HB2 TYR A 242 21.292 39.099 21.869 1.00 11.46 H new ATOM 0 HB3 TYR A 242 22.133 37.871 21.404 1.00 11.46 H new ATOM 0 HD1 TYR A 242 21.071 36.431 19.509 1.00 11.17 H new ATOM 0 HD2 TYR A 242 19.948 40.209 20.275 1.00 13.19 H new ATOM 0 HE1 TYR A 242 20.162 36.591 17.372 1.00 11.94 H new ATOM 0 HE2 TYR A 242 19.055 40.382 18.141 1.00 12.61 H new ATOM 0 HH TYR A 242 19.101 37.878 15.887 1.00 13.32 H new ATOM 1848 N SER A 243 22.504 36.551 23.629 1.00 10.78 N ATOM 1849 CA SER A 243 23.521 36.716 24.669 1.00 11.57 C ATOM 1850 C SER A 243 23.810 38.210 24.823 1.00 11.34 C ATOM 1851 O SER A 243 24.023 38.899 23.814 1.00 10.60 O ATOM 1852 CB SER A 243 24.818 36.015 24.293 1.00 12.05 C ATOM 1853 OG SER A 243 25.867 36.561 25.077 1.00 15.55 O ATOM 0 H SER A 243 22.718 36.026 22.982 1.00 10.78 H new ATOM 0 HA SER A 243 23.188 36.328 25.493 1.00 11.57 H new ATOM 0 HB2 SER A 243 24.743 35.060 24.448 1.00 12.05 H new ATOM 0 HB3 SER A 243 25.005 36.135 23.349 1.00 12.05 H new ATOM 0 HG SER A 243 26.607 36.344 24.745 1.00 15.55 H new ATOM 1854 N VAL A 244 23.827 38.710 26.059 1.00 11.37 N ATOM 1855 CA VAL A 244 24.073 40.154 26.266 1.00 12.65 C ATOM 1856 C VAL A 244 25.469 40.587 25.807 1.00 13.17 C ATOM 1857 O VAL A 244 25.714 41.777 25.551 1.00 13.29 O ATOM 1858 CB VAL A 244 23.793 40.645 27.724 1.00 12.81 C ATOM 1859 CG1 VAL A 244 22.358 40.354 28.146 1.00 12.68 C ATOM 1860 CG2 VAL A 244 24.767 40.047 28.718 1.00 14.11 C ATOM 0 H VAL A 244 23.703 38.252 26.776 1.00 11.37 H new ATOM 0 HA VAL A 244 23.420 40.592 25.697 1.00 12.65 H new ATOM 0 HB VAL A 244 23.921 41.607 27.723 1.00 12.81 H new ATOM 0 HG11 VAL A 244 22.217 40.670 29.052 1.00 12.68 H new ATOM 0 HG12 VAL A 244 21.746 40.809 27.547 1.00 12.68 H new ATOM 0 HG13 VAL A 244 22.197 39.398 28.108 1.00 12.68 H new ATOM 0 HG21 VAL A 244 24.563 40.374 29.608 1.00 14.11 H new ATOM 0 HG22 VAL A 244 24.692 39.080 28.704 1.00 14.11 H new ATOM 0 HG23 VAL A 244 25.671 40.304 28.480 1.00 14.11 H new ATOM 1861 N THR A 245 26.380 39.620 25.701 1.00 12.91 N ATOM 1862 CA THR A 245 27.731 39.881 25.201 1.00 13.84 C ATOM 1863 C THR A 245 27.725 40.184 23.698 1.00 13.62 C ATOM 1864 O THR A 245 28.606 40.887 23.205 1.00 14.51 O ATOM 1865 CB THR A 245 28.686 38.722 25.562 1.00 14.11 C ATOM 1866 OG1 THR A 245 28.764 38.636 26.995 1.00 16.02 O ATOM 1867 CG2 THR A 245 30.088 38.972 25.017 1.00 15.74 C ATOM 0 H THR A 245 26.234 38.800 25.915 1.00 12.91 H new ATOM 0 HA THR A 245 28.067 40.677 25.642 1.00 13.84 H new ATOM 0 HB THR A 245 28.345 37.902 25.173 1.00 14.11 H new ATOM 0 HG1 THR A 245 29.279 38.009 27.211 1.00 16.02 H new ATOM 0 HG21 THR A 245 30.666 38.231 25.257 1.00 15.74 H new ATOM 0 HG22 THR A 245 30.050 39.052 24.051 1.00 15.74 H new ATOM 0 HG23 THR A 245 30.441 39.792 25.395 1.00 15.74 H new ATOM 1868 N ASN A 246 26.731 39.653 22.987 1.00 12.64 N ATOM 1869 CA ASN A 246 26.556 39.921 21.564 1.00 12.21 C ATOM 1870 C ASN A 246 25.676 41.127 21.329 1.00 12.28 C ATOM 1871 O ASN A 246 26.042 42.023 20.565 1.00 12.25 O ATOM 1872 CB ASN A 246 25.939 38.711 20.847 1.00 12.31 C ATOM 1873 CG ASN A 246 26.894 37.530 20.753 1.00 13.05 C ATOM 1874 OD1 ASN A 246 28.117 37.704 20.709 1.00 13.16 O ATOM 1875 ND2 ASN A 246 26.338 36.321 20.707 1.00 13.22 N ATOM 0 H ASN A 246 26.138 39.126 23.319 1.00 12.64 H new ATOM 0 HA ASN A 246 27.439 40.098 21.203 1.00 12.21 H new ATOM 0 HB2 ASN A 246 25.137 38.436 21.318 1.00 12.31 H new ATOM 0 HB3 ASN A 246 25.668 38.974 19.954 1.00 12.31 H new ATOM 0 HD21 ASN A 246 26.834 35.622 20.644 1.00 13.22 H new ATOM 0 HD22 ASN A 246 25.483 36.240 20.740 1.00 13.22 H new ATOM 1876 N ALA A 247 24.513 41.137 21.980 1.00 11.49 N ATOM 1877 CA ALA A 247 23.497 42.157 21.709 1.00 11.83 C ATOM 1878 C ALA A 247 22.487 42.165 22.840 1.00 11.88 C ATOM 1879 O ALA A 247 21.677 41.249 22.958 1.00 11.72 O ATOM 1880 CB ALA A 247 22.806 41.894 20.344 1.00 11.50 C ATOM 0 H ALA A 247 24.292 40.563 22.582 1.00 11.49 H new ATOM 0 HA ALA A 247 23.920 43.028 21.657 1.00 11.83 H new ATOM 0 HB1 ALA A 247 22.138 42.578 20.182 1.00 11.50 H new ATOM 0 HB2 ALA A 247 23.469 41.916 19.636 1.00 11.50 H new ATOM 0 HB3 ALA A 247 22.379 41.023 20.360 1.00 11.50 H new ATOM 1881 N ALA A 248 22.543 43.221 23.654 1.00 11.74 N ATOM 1882 CA ALA A 248 21.735 43.342 24.853 1.00 12.89 C ATOM 1883 C ALA A 248 20.367 43.940 24.526 1.00 12.99 C ATOM 1884 O ALA A 248 20.079 45.091 24.857 1.00 13.55 O ATOM 1885 CB ALA A 248 22.472 44.192 25.894 1.00 12.71 C ATOM 0 H ALA A 248 23.061 43.894 23.517 1.00 11.74 H new ATOM 0 HA ALA A 248 21.589 42.458 25.223 1.00 12.89 H new ATOM 0 HB1 ALA A 248 21.927 44.269 26.693 1.00 12.71 H new ATOM 0 HB2 ALA A 248 23.316 43.770 26.118 1.00 12.71 H new ATOM 0 HB3 ALA A 248 22.640 45.076 25.531 1.00 12.71 H new ATOM 1886 N ASN A 249 19.533 43.161 23.846 1.00 12.98 N ATOM 1887 CA ASN A 249 18.202 43.635 23.466 1.00 13.44 C ATOM 1888 C ASN A 249 17.156 43.308 24.529 1.00 14.18 C ATOM 1889 O ASN A 249 17.354 42.394 25.344 1.00 15.04 O ATOM 1890 CB ASN A 249 17.779 43.041 22.122 1.00 12.91 C ATOM 1891 CG ASN A 249 17.534 41.547 22.205 1.00 13.75 C ATOM 1892 OD1 ASN A 249 18.442 40.787 22.522 1.00 13.13 O ATOM 1893 ND2 ASN A 249 16.292 41.127 21.962 1.00 11.85 N ATOM 0 H ASN A 249 19.715 42.359 23.595 1.00 12.98 H new ATOM 0 HA ASN A 249 18.256 44.600 23.386 1.00 13.44 H new ATOM 0 HB2 ASN A 249 16.972 43.483 21.815 1.00 12.91 H new ATOM 0 HB3 ASN A 249 18.467 43.218 21.462 1.00 12.91 H new ATOM 0 HD21 ASN A 249 16.101 40.291 22.025 1.00 11.85 H new ATOM 0 HD22 ASN A 249 15.682 41.692 21.742 1.00 11.85 H new ATOM 1894 N ASN A 250 16.060 44.068 24.521 1.00 13.43 N ATOM 1895 CA ASN A 250 14.906 43.805 25.371 1.00 13.87 C ATOM 1896 C ASN A 250 13.769 43.214 24.549 1.00 13.07 C ATOM 1897 O ASN A 250 12.760 43.883 24.274 1.00 13.18 O ATOM 1898 CB ASN A 250 14.429 45.089 26.063 1.00 14.49 C ATOM 1899 CG ASN A 250 13.358 44.821 27.121 1.00 16.66 C ATOM 1900 OD1 ASN A 250 13.528 43.951 27.972 1.00 19.21 O ATOM 1901 ND2 ASN A 250 12.251 45.565 27.064 1.00 18.88 N ATOM 0 H ASN A 250 15.968 44.757 24.015 1.00 13.43 H new ATOM 0 HA ASN A 250 15.175 43.168 26.052 1.00 13.87 H new ATOM 0 HB2 ASN A 250 15.187 45.530 26.479 1.00 14.49 H new ATOM 0 HB3 ASN A 250 14.076 45.700 25.397 1.00 14.49 H new ATOM 0 HD21 ASN A 250 11.622 45.444 27.638 1.00 18.88 H new ATOM 0 HD22 ASN A 250 12.167 46.165 26.454 1.00 18.88 H new ATOM 1902 N GLY A 251 13.939 41.960 24.143 1.00 12.42 N ATOM 1903 CA GLY A 251 12.942 41.299 23.311 1.00 12.26 C ATOM 1904 C GLY A 251 12.930 41.764 21.860 1.00 12.13 C ATOM 1905 O GLY A 251 13.831 42.475 21.389 1.00 11.37 O ATOM 0 H GLY A 251 14.623 41.476 24.338 1.00 12.42 H new ATOM 0 HA2 GLY A 251 13.101 40.342 23.332 1.00 12.26 H new ATOM 0 HA3 GLY A 251 12.064 41.449 23.695 1.00 12.26 H new ATOM 1906 N VAL A 252 11.877 41.353 21.163 1.00 12.21 N ATOM 1907 CA VAL A 252 11.826 41.416 19.714 1.00 12.57 C ATOM 1908 C VAL A 252 10.370 41.454 19.245 1.00 13.06 C ATOM 1909 O VAL A 252 9.491 40.872 19.884 1.00 12.68 O ATOM 1910 CB VAL A 252 12.597 40.195 19.113 1.00 12.57 C ATOM 1911 CG1 VAL A 252 12.013 38.859 19.622 1.00 12.22 C ATOM 1912 CG2 VAL A 252 12.650 40.242 17.612 1.00 13.67 C ATOM 0 H VAL A 252 11.167 41.027 21.524 1.00 12.21 H new ATOM 0 HA VAL A 252 12.256 42.227 19.402 1.00 12.57 H new ATOM 0 HB VAL A 252 13.513 40.253 19.426 1.00 12.57 H new ATOM 0 HG11 VAL A 252 12.508 38.121 19.235 1.00 12.22 H new ATOM 0 HG12 VAL A 252 12.083 38.823 20.589 1.00 12.22 H new ATOM 0 HG13 VAL A 252 11.081 38.793 19.363 1.00 12.22 H new ATOM 0 HG21 VAL A 252 13.135 39.470 17.281 1.00 13.67 H new ATOM 0 HG22 VAL A 252 11.748 40.234 17.256 1.00 13.67 H new ATOM 0 HG23 VAL A 252 13.102 41.053 17.329 1.00 13.67 H new ATOM 1913 N CYS A 253 10.134 42.147 18.132 1.00 14.40 N ATOM 1914 CA CYS A 253 8.794 42.354 17.611 1.00 14.22 C ATOM 1915 C CYS A 253 8.772 42.021 16.128 1.00 13.45 C ATOM 1916 O CYS A 253 9.594 42.542 15.381 1.00 12.44 O ATOM 1917 CB CYS A 253 8.400 43.830 17.800 1.00 14.82 C ATOM 1918 SG CYS A 253 6.663 44.130 17.697 1.00 20.99 S ATOM 0 H CYS A 253 10.753 42.510 17.659 1.00 14.40 H new ATOM 0 HA CYS A 253 8.170 41.782 18.084 1.00 14.22 H new ATOM 0 HB2 CYS A 253 8.720 44.132 18.664 1.00 14.82 H new ATOM 0 HB3 CYS A 253 8.851 44.364 17.128 1.00 14.82 H new ATOM 0 HG CYS A 253 6.448 45.300 17.857 1.00 20.99 H new ATOM 1919 N CYS A 254 7.844 41.149 15.710 1.00 12.52 N ATOM 1920 CA CYS A 254 7.592 40.902 14.290 1.00 11.63 C ATOM 1921 C CYS A 254 6.262 41.534 13.897 1.00 11.26 C ATOM 1922 O CYS A 254 5.240 41.272 14.538 1.00 11.91 O ATOM 1923 CB CYS A 254 7.558 39.400 13.959 1.00 11.88 C ATOM 1924 SG CYS A 254 7.247 39.053 12.201 1.00 13.66 S ATOM 0 H CYS A 254 7.348 40.689 16.241 1.00 12.52 H new ATOM 0 HA CYS A 254 8.321 41.298 13.788 1.00 11.63 H new ATOM 0 HB2 CYS A 254 8.404 39.000 14.216 1.00 11.88 H new ATOM 0 HB3 CYS A 254 6.869 38.974 14.492 1.00 11.88 H new ATOM 0 HG CYS A 254 7.939 38.140 11.844 1.00 13.66 H new ATOM 1925 N ILE A 255 6.277 42.359 12.852 1.00 10.19 N ATOM 1926 CA ILE A 255 5.084 43.103 12.437 1.00 9.99 C ATOM 1927 C ILE A 255 4.757 42.812 10.980 1.00 9.53 C ATOM 1928 O ILE A 255 5.641 42.844 10.121 1.00 8.41 O ATOM 1929 CB ILE A 255 5.274 44.635 12.613 1.00 9.65 C ATOM 1930 CG1 ILE A 255 5.436 44.975 14.099 1.00 10.85 C ATOM 1931 CG2 ILE A 255 4.088 45.411 11.997 1.00 11.80 C ATOM 1932 CD1 ILE A 255 5.806 46.423 14.391 1.00 10.52 C ATOM 0 H ILE A 255 6.972 42.504 12.366 1.00 10.19 H new ATOM 0 HA ILE A 255 4.354 42.812 13.005 1.00 9.99 H new ATOM 0 HB ILE A 255 6.079 44.904 12.143 1.00 9.65 H new ATOM 0 HG12 ILE A 255 4.606 44.769 14.557 1.00 10.85 H new ATOM 0 HG13 ILE A 255 6.119 44.398 14.476 1.00 10.85 H new ATOM 0 HG21 ILE A 255 4.227 46.363 12.118 1.00 11.80 H new ATOM 0 HG22 ILE A 255 4.027 45.211 11.050 1.00 11.80 H new ATOM 0 HG23 ILE A 255 3.265 45.146 12.436 1.00 11.80 H new ATOM 0 HD11 ILE A 255 5.888 46.549 15.349 1.00 10.52 H new ATOM 0 HD12 ILE A 255 6.651 46.634 13.964 1.00 10.52 H new ATOM 0 HD13 ILE A 255 5.115 47.010 14.046 1.00 10.52 H new ATOM 1933 N VAL A 256 3.478 42.543 10.722 1.00 8.68 N ATOM 1934 CA VAL A 256 2.962 42.480 9.363 1.00 8.98 C ATOM 1935 C VAL A 256 2.078 43.710 9.219 1.00 9.10 C ATOM 1936 O VAL A 256 1.131 43.900 9.997 1.00 9.00 O ATOM 1937 CB VAL A 256 2.119 41.208 9.124 1.00 8.97 C ATOM 1938 CG1 VAL A 256 1.535 41.226 7.704 1.00 9.48 C ATOM 1939 CG2 VAL A 256 2.975 39.948 9.343 1.00 9.37 C ATOM 0 H VAL A 256 2.889 42.393 11.330 1.00 8.68 H new ATOM 0 HA VAL A 256 3.688 42.454 8.720 1.00 8.98 H new ATOM 0 HB VAL A 256 1.387 41.191 9.761 1.00 8.97 H new ATOM 0 HG11 VAL A 256 1.007 40.425 7.561 1.00 9.48 H new ATOM 0 HG12 VAL A 256 0.971 42.008 7.596 1.00 9.48 H new ATOM 0 HG13 VAL A 256 2.257 41.257 7.057 1.00 9.48 H new ATOM 0 HG21 VAL A 256 2.433 39.158 9.190 1.00 9.37 H new ATOM 0 HG22 VAL A 256 3.722 39.952 8.724 1.00 9.37 H new ATOM 0 HG23 VAL A 256 3.310 39.938 10.253 1.00 9.37 H new ATOM 1940 N ALA A 257 2.399 44.555 8.244 1.00 9.03 N ATOM 1941 CA ALA A 257 1.695 45.828 8.085 1.00 9.43 C ATOM 1942 C ALA A 257 1.214 45.958 6.652 1.00 9.81 C ATOM 1943 O ALA A 257 1.906 45.526 5.725 1.00 10.09 O ATOM 1944 CB ALA A 257 2.622 46.993 8.451 1.00 9.52 C ATOM 0 H ALA A 257 3.019 44.413 7.665 1.00 9.03 H new ATOM 0 HA ALA A 257 0.929 45.852 8.680 1.00 9.43 H new ATOM 0 HB1 ALA A 257 2.147 47.832 8.342 1.00 9.52 H new ATOM 0 HB2 ALA A 257 2.909 46.901 9.373 1.00 9.52 H new ATOM 0 HB3 ALA A 257 3.398 46.984 7.869 1.00 9.52 H new ATOM 1945 N ARG A 258 0.028 46.535 6.474 1.00 9.83 N ATOM 1946 CA ARG A 258 -0.567 46.704 5.145 1.00 10.66 C ATOM 1947 C ARG A 258 -0.509 48.165 4.734 1.00 11.36 C ATOM 1948 O ARG A 258 -0.919 49.042 5.497 1.00 10.58 O ATOM 1949 CB ARG A 258 -2.030 46.251 5.137 1.00 12.04 C ATOM 1950 CG ARG A 258 -2.682 46.378 3.758 1.00 13.67 C ATOM 1951 CD ARG A 258 -4.177 46.123 3.845 1.00 20.06 C ATOM 1952 NE ARG A 258 -4.803 46.999 4.834 1.00 23.75 N ATOM 1953 CZ ARG A 258 -5.742 47.901 4.570 1.00 25.68 C ATOM 1954 NH1 ARG A 258 -6.187 48.058 3.324 1.00 26.10 N ATOM 1955 NH2 ARG A 258 -6.251 48.630 5.563 1.00 25.26 N ATOM 0 H ARG A 258 -0.455 46.840 7.117 1.00 9.83 H new ATOM 0 HA ARG A 258 -0.062 46.159 4.521 1.00 10.66 H new ATOM 0 HB2 ARG A 258 -2.080 45.328 5.430 1.00 12.04 H new ATOM 0 HB3 ARG A 258 -2.532 46.780 5.777 1.00 12.04 H new ATOM 0 HG2 ARG A 258 -2.521 47.265 3.399 1.00 13.67 H new ATOM 0 HG3 ARG A 258 -2.277 45.746 3.144 1.00 13.67 H new ATOM 0 HD2 ARG A 258 -4.584 46.268 2.977 1.00 20.06 H new ATOM 0 HD3 ARG A 258 -4.337 45.196 4.082 1.00 20.06 H new ATOM 0 HE ARG A 258 -4.543 46.925 5.650 1.00 23.75 H new ATOM 0 HH11 ARG A 258 -5.866 47.575 2.689 1.00 26.10 H new ATOM 0 HH12 ARG A 258 -6.795 48.642 3.155 1.00 26.10 H new ATOM 0 HH21 ARG A 258 -5.971 48.515 6.368 1.00 25.26 H new ATOM 0 HH22 ARG A 258 -6.859 49.216 5.399 1.00 25.26 H new ATOM 1956 N LYS A 259 0.008 48.411 3.534 1.00 11.65 N ATOM 1957 CA LYS A 259 0.079 49.764 2.982 1.00 12.47 C ATOM 1958 C LYS A 259 -1.328 50.176 2.578 1.00 13.94 C ATOM 1959 O LYS A 259 -1.963 49.535 1.730 1.00 12.41 O ATOM 1960 CB LYS A 259 1.034 49.829 1.789 1.00 12.00 C ATOM 1961 CG LYS A 259 1.098 51.196 1.113 1.00 12.95 C ATOM 1962 CD LYS A 259 2.093 51.203 -0.042 1.00 12.43 C ATOM 1963 CE LYS A 259 2.033 52.526 -0.790 1.00 12.39 C ATOM 1964 NZ LYS A 259 3.186 52.672 -1.739 1.00 12.12 N ATOM 0 H LYS A 259 0.327 47.802 3.017 1.00 11.65 H new ATOM 0 HA LYS A 259 0.428 50.375 3.650 1.00 12.47 H new ATOM 0 HB2 LYS A 259 1.924 49.584 2.086 1.00 12.00 H new ATOM 0 HB3 LYS A 259 0.762 49.168 1.134 1.00 12.00 H new ATOM 0 HG2 LYS A 259 0.218 51.437 0.785 1.00 12.95 H new ATOM 0 HG3 LYS A 259 1.352 51.869 1.764 1.00 12.95 H new ATOM 0 HD2 LYS A 259 2.990 51.057 0.296 1.00 12.43 H new ATOM 0 HD3 LYS A 259 1.897 50.473 -0.649 1.00 12.43 H new ATOM 0 HE2 LYS A 259 1.199 52.584 -1.281 1.00 12.39 H new ATOM 0 HE3 LYS A 259 2.040 53.259 -0.155 1.00 12.39 H new ATOM 0 HZ1 LYS A 259 3.126 53.453 -2.162 1.00 12.12 H new ATOM 0 HZ2 LYS A 259 3.951 52.639 -1.285 1.00 12.12 H new ATOM 0 HZ3 LYS A 259 3.167 52.011 -2.334 1.00 12.12 H new ATOM 1965 N LYS A 260 -1.825 51.229 3.215 1.00 15.95 N ATOM 1966 CA LYS A 260 -3.206 51.642 2.994 1.00 19.78 C ATOM 1967 C LYS A 260 -3.374 52.271 1.616 1.00 21.84 C ATOM 1968 O LYS A 260 -2.611 53.176 1.259 1.00 22.17 O ATOM 1969 CB LYS A 260 -3.678 52.589 4.098 1.00 19.87 C ATOM 1970 CG LYS A 260 -3.840 51.903 5.454 1.00 20.99 C ATOM 1971 CD LYS A 260 -4.349 52.852 6.541 1.00 21.35 C ATOM 1972 CE LYS A 260 -3.393 54.023 6.775 1.00 26.40 C ATOM 1973 NZ LYS A 260 -3.969 55.021 7.735 1.00 26.46 N ATOM 0 H LYS A 260 -1.386 51.714 3.773 1.00 15.95 H new ATOM 0 HA LYS A 260 -3.765 50.850 3.026 1.00 19.78 H new ATOM 0 HB2 LYS A 260 -3.043 53.317 4.185 1.00 19.87 H new ATOM 0 HB3 LYS A 260 -4.526 52.982 3.838 1.00 19.87 H new ATOM 0 HG2 LYS A 260 -4.457 51.160 5.364 1.00 20.99 H new ATOM 0 HG3 LYS A 260 -2.987 51.532 5.728 1.00 20.99 H new ATOM 0 HD2 LYS A 260 -5.221 53.193 6.288 1.00 21.35 H new ATOM 0 HD3 LYS A 260 -4.466 52.361 7.369 1.00 21.35 H new ATOM 0 HE2 LYS A 260 -2.550 53.690 7.120 1.00 26.40 H new ATOM 0 HE3 LYS A 260 -3.201 54.459 5.930 1.00 26.40 H new ATOM 0 HZ1 LYS A 260 -3.544 55.798 7.647 1.00 26.46 H new ATOM 0 HZ2 LYS A 260 -4.834 55.135 7.561 1.00 26.46 H new ATOM 0 HZ3 LYS A 260 -3.871 54.723 8.568 1.00 26.46 H new ATOM 1974 N PRO A 261 -4.364 51.775 0.837 1.00 23.99 N ATOM 1975 CA PRO A 261 -4.705 52.273 -0.504 1.00 25.32 C ATOM 1976 C PRO A 261 -5.552 53.536 -0.443 1.00 26.21 C ATOM 1977 O PRO A 261 -6.278 53.738 0.535 1.00 27.77 O ATOM 1978 CB PRO A 261 -5.528 51.129 -1.124 1.00 25.54 C ATOM 1979 CG PRO A 261 -5.632 50.057 -0.080 1.00 25.53 C ATOM 1980 CD PRO A 261 -5.232 50.654 1.234 1.00 24.25 C ATOM 0 HA PRO A 261 -3.912 52.506 -1.011 1.00 25.32 H new ATOM 0 HB2 PRO A 261 -6.408 51.441 -1.386 1.00 25.54 H new ATOM 0 HB3 PRO A 261 -5.098 50.790 -1.924 1.00 25.54 H new ATOM 0 HG2 PRO A 261 -6.538 49.713 -0.035 1.00 25.53 H new ATOM 0 HG3 PRO A 261 -5.056 49.309 -0.303 1.00 25.53 H new ATOM 0 HD2 PRO A 261 -6.002 50.957 1.740 1.00 24.25 H new ATOM 0 HD3 PRO A 261 -4.761 50.014 1.791 1.00 24.25 H new TER 1981 PRO A 261 HETATM 1982 S SO4 A2003 9.608 47.451 24.917 1.00 29.22 S HETATM 1983 O1 SO4 A2003 9.129 48.090 26.149 1.00 31.92 O HETATM 1984 O2 SO4 A2003 11.053 47.216 25.038 1.00 30.26 O HETATM 1985 O3 SO4 A2003 8.900 46.169 24.810 1.00 30.21 O HETATM 1986 O4 SO4 A2003 9.358 48.313 23.789 1.00 27.46 O HETATM 1987 N SAH A4001 18.665 40.408 7.585 1.00 8.43 N HETATM 1988 CA SAH A4001 19.860 39.685 8.123 1.00 9.18 C HETATM 1989 CB SAH A4001 21.047 40.620 8.420 1.00 9.16 C HETATM 1990 CG SAH A4001 20.866 41.672 9.529 1.00 9.70 C HETATM 1991 SD SAH A4001 22.472 42.373 10.002 1.00 10.43 S HETATM 1992 C SAH A4001 19.458 38.781 9.302 1.00 9.34 C HETATM 1993 O SAH A4001 18.258 38.500 9.455 1.00 8.85 O HETATM 1994 OXT SAH A4001 20.301 38.309 10.077 1.00 9.77 O HETATM 1995 C5' SAH A4001 22.251 44.115 9.537 1.00 10.36 C HETATM 1996 C4' SAH A4001 22.303 44.379 8.035 1.00 8.66 C HETATM 1997 O4' SAH A4001 22.028 45.760 7.824 1.00 10.00 O HETATM 1998 C3' SAH A4001 23.662 44.104 7.373 1.00 8.84 C HETATM 1999 O3' SAH A4001 23.490 43.118 6.371 1.00 7.91 O HETATM 2000 C2' SAH A4001 24.072 45.450 6.781 1.00 9.22 C HETATM 2001 O2' SAH A4001 24.776 45.398 5.551 1.00 10.27 O HETATM 2002 C1' SAH A4001 22.697 46.097 6.624 1.00 9.81 C HETATM 2003 N9 SAH A4001 22.721 47.547 6.422 1.00 9.84 N HETATM 2004 C8 SAH A4001 23.511 48.494 7.018 1.00 10.80 C HETATM 2005 N7 SAH A4001 23.179 49.703 6.512 1.00 10.86 N HETATM 2006 C5 SAH A4001 22.177 49.552 5.615 1.00 10.67 C HETATM 2007 C6 SAH A4001 21.463 50.450 4.818 1.00 11.13 C HETATM 2008 N6 SAH A4001 21.714 51.771 4.846 1.00 10.92 N HETATM 2009 N1 SAH A4001 20.474 49.956 4.002 1.00 11.16 N HETATM 2010 C2 SAH A4001 20.193 48.600 3.946 1.00 11.81 C HETATM 2011 N3 SAH A4001 20.905 47.719 4.735 1.00 12.89 N HETATM 2012 C4 SAH A4001 21.877 48.191 5.554 1.00 10.81 C HETATM 0 HO3' SAH A4001 23.029 43.433 5.744 1.00 7.91 H new HETATM 0 HO2' SAH A4001 24.478 44.767 5.084 1.00 10.27 H new HETATM 0 HN62 SAH A4001 21.262 52.305 4.346 1.00 10.92 H new HETATM 0 HN61 SAH A4001 22.327 52.081 5.363 1.00 10.92 H new HETATM 0 H5'2 SAH A4001 21.397 44.424 9.879 1.00 10.36 H new HETATM 0 H5'1 SAH A4001 22.939 44.644 9.971 1.00 10.36 H new HETATM 0 HN2 SAH A4001 17.951 39.971 7.388 1.00 8.43 H new HETATM 0 HN1 SAH A4001 18.693 41.260 7.473 1.00 8.43 H new HETATM 0 HG2 SAH A4001 20.276 42.378 9.221 1.00 9.70 H new HETATM 0 HG1 SAH A4001 20.443 41.266 10.302 1.00 9.70 H new HETATM 0 HB2 SAH A4001 21.811 40.069 8.653 1.00 9.16 H new HETATM 0 HB1 SAH A4001 21.273 41.086 7.600 1.00 9.16 H new HETATM 0 HA SAH A4001 20.196 39.100 7.426 1.00 9.18 H new HETATM 0 H8 SAH A4001 24.192 48.326 7.688 1.00 10.80 H new HETATM 0 H4' SAH A4001 21.658 43.773 7.637 1.00 8.66 H new HETATM 0 H3' SAH A4001 24.338 43.770 7.983 1.00 8.84 H new HETATM 0 H2' SAH A4001 24.713 45.922 7.336 1.00 9.22 H new HETATM 0 H2 SAH A4001 19.498 48.271 3.354 1.00 11.81 H new HETATM 0 H1' SAH A4001 22.259 45.773 5.821 1.00 9.81 H new HETATM 2013 O HOH A4002 11.344 31.397 6.725 1.00 8.46 O HETATM 2014 O HOH A4003 9.259 47.849 -5.631 1.00 10.83 O HETATM 2015 O HOH A4004 16.426 48.628 19.246 1.00 10.37 O HETATM 2016 O HOH A4005 15.256 45.242 9.143 1.00 9.35 O HETATM 2017 O HOH A4006 10.065 33.344 4.999 1.00 8.25 O HETATM 2018 O HOH A4007 16.089 41.125 5.863 1.00 9.38 O HETATM 2019 O HOH A4008 10.134 50.103 -6.937 1.00 11.90 O HETATM 2020 O HOH A4009 19.131 36.448 14.752 1.00 9.80 O HETATM 2021 O HOH A4010 20.456 34.434 15.988 1.00 10.72 O HETATM 2022 O HOH A4011 20.126 48.100 -6.481 1.00 13.25 O HETATM 2023 O HOH A4012 10.805 54.427 -4.605 1.00 11.77 O HETATM 2024 O HOH A4013 11.984 47.427 11.118 1.00 10.34 O HETATM 2025 O HOH A4014 14.073 45.610 11.582 1.00 10.61 O HETATM 2026 O HOH A4015 20.681 51.436 -3.551 1.00 13.20 O HETATM 2027 O HOH A4016 25.112 49.999 12.645 1.00 11.05 O HETATM 2028 O HOH A4017 7.330 56.706 9.961 1.00 10.05 O HETATM 2029 O HOH A4018 -6.928 50.518 8.987 1.00 10.81 O HETATM 2030 O HOH A4019 16.808 35.507 13.274 1.00 10.72 O HETATM 2031 O HOH A4020 16.389 57.128 6.905 1.00 11.51 O HETATM 2032 O HOH A4021 16.580 58.376 18.391 1.00 17.63 O HETATM 2033 O HOH A4022 12.916 50.119 -6.989 1.00 13.59 O HETATM 2034 O HOH A4023 8.549 27.413 7.539 1.00 8.66 O HETATM 2035 O HOH A4024 26.984 31.837 1.777 1.00 11.16 O HETATM 2036 O HOH A4025 5.740 54.343 -4.677 1.00 14.86 O HETATM 2037 O HOH A4026 11.142 40.512 -6.294 1.00 10.65 O HETATM 2038 O HOH A4027 24.367 52.565 9.963 1.00 13.79 O HETATM 2039 O HOH A4028 25.032 31.426 16.673 1.00 14.93 O HETATM 2040 O HOH A4029 20.909 56.903 9.819 1.00 14.46 O HETATM 2041 O HOH A4030 18.488 26.637 21.323 1.00 12.92 O HETATM 2042 O HOH A4031 31.716 44.904 1.606 1.00 11.68 O HETATM 2043 O HOH A4032 6.239 27.690 5.776 1.00 15.45 O HETATM 2044 O HOH A4033 10.442 42.543 -8.227 1.00 13.87 O HETATM 2045 O HOH A4034 32.317 44.621 4.290 1.00 11.85 O HETATM 2046 O HOH A4035 22.348 25.487 2.864 1.00 14.49 O HETATM 2047 O HOH A4036 27.626 22.694 -6.332 1.00 14.33 O HETATM 2048 O HOH A4037 10.120 29.666 8.434 1.00 9.69 O HETATM 2049 O HOH A4038 32.583 42.686 10.965 1.00 14.53 O HETATM 2050 O HOH A4039 7.664 56.731 16.108 1.00 10.88 O HETATM 2051 O HOH A4040 24.609 32.335 3.218 1.00 9.96 O HETATM 2052 O HOH A4041 23.188 45.894 -7.310 1.00 13.23 O HETATM 2053 O HOH A4042 0.297 32.150 2.270 1.00 14.94 O HETATM 2054 O HOH A4043 8.157 43.891 -7.652 1.00 15.96 O HETATM 2055 O HOH A4044 6.848 59.316 8.941 1.00 16.57 O HETATM 2056 O HOH A4045 28.812 26.335 6.662 1.00 16.79 O HETATM 2057 O HOH A4046 33.622 37.475 6.076 1.00 19.70 O HETATM 2058 O HOH A4047 5.465 38.671 24.789 1.00 15.26 O HETATM 2059 O HOH A4048 34.198 41.167 12.636 1.00 16.54 O HETATM 2060 O HOH A4049 9.450 60.226 8.102 1.00 15.72 O HETATM 2061 O HOH A4050 24.950 51.829 7.419 1.00 14.43 O HETATM 2062 O HOH A4051 29.825 30.015 11.493 1.00 14.03 O HETATM 2063 O HOH A4052 31.302 31.646 9.628 1.00 17.52 O HETATM 2064 O HOH A4053 2.514 56.986 19.984 1.00 13.21 O HETATM 2065 O HOH A4054 4.442 54.791 -7.031 1.00 21.38 O HETATM 2066 O HOH A4055 17.535 25.596 -7.170 1.00 19.49 O HETATM 2067 O HOH A4056 5.056 49.168 -10.718 1.00 21.71 O HETATM 2068 O HOH A4057 9.167 52.424 -6.060 1.00 14.50 O HETATM 2069 O HOH A4058 24.246 45.590 23.100 1.00 15.25 O HETATM 2070 O HOH A4059 10.802 28.437 -6.712 1.00 16.33 O HETATM 2071 O HOH A4060 28.054 49.173 -2.946 1.00 17.15 O HETATM 2072 O HOH A4061 11.291 59.204 3.808 1.00 16.09 O HETATM 2073 O HOH A4062 15.094 60.777 16.404 1.00 13.97 O HETATM 2074 O HOH A4063 -2.169 38.477 7.817 1.00 16.23 O HETATM 2075 O HOH A4064 23.703 53.705 5.958 1.00 16.57 O HETATM 2076 O HOH A4065 -3.777 40.083 4.244 1.00 18.52 O HETATM 2077 O HOH A4066 -3.199 53.241 9.879 1.00 17.85 O HETATM 2078 O HOH A4067 10.102 41.340 -10.620 1.00 19.47 O HETATM 2079 O HOH A4068 16.443 59.833 6.842 1.00 15.12 O HETATM 2080 O HOH A4069 27.702 33.889 19.529 1.00 17.34 O HETATM 2081 O HOH A4070 15.685 16.392 1.568 1.00 23.21 O HETATM 2082 O HOH A4071 8.210 50.980 -10.418 1.00 19.75 O HETATM 2083 O HOH A4072 9.803 60.599 5.351 1.00 16.75 O HETATM 2084 O HOH A4073 17.933 31.612 -8.944 1.00 18.68 O HETATM 2085 O HOH A4074 18.875 43.708 15.467 1.00 21.54 O HETATM 2086 O HOH A4075 3.421 60.480 15.456 1.00 19.69 O HETATM 2087 O HOH A4076 5.065 60.072 6.840 1.00 19.80 O HETATM 2088 O HOH A4077 23.659 54.595 -1.024 1.00 15.95 O HETATM 2089 O HOH A4078 15.439 59.069 4.133 1.00 15.20 O HETATM 2090 O HOH A4079 10.162 61.721 12.271 1.00 18.52 O HETATM 2091 O HOH A4080 1.525 36.756 10.465 1.00 15.85 O HETATM 2092 O HOH A4081 15.153 55.793 -8.460 1.00 15.61 O HETATM 2093 O HOH A4082 12.681 61.503 9.578 1.00 23.07 O HETATM 2094 O HOH A4083 1.272 41.119 0.409 1.00 16.48 O HETATM 2095 O HOH A4084 13.614 17.171 -0.408 1.00 26.93 O HETATM 2096 O HOH A4085 3.528 54.638 20.928 1.00 20.56 O HETATM 2097 O HOH A4086 29.283 52.013 0.347 1.00 21.45 O HETATM 2098 O HOH A4087 7.738 41.513 -11.903 1.00 20.72 O HETATM 2099 O HOH A4088 -0.621 37.522 15.025 1.00 24.36 O HETATM 2100 O HOH A4089 23.049 52.435 -2.789 1.00 20.68 O HETATM 2101 O HOH A4090 21.864 30.662 15.958 1.00 20.53 O HETATM 2102 O HOH A4091 6.309 56.282 1.009 1.00 20.66 O HETATM 2103 O HOH A4092 -0.153 43.299 -3.050 1.00 24.70 O HETATM 2104 O HOH A4093 10.144 43.766 24.875 1.00 17.01 O HETATM 2105 O HOH A4094 20.534 23.373 3.217 1.00 19.95 O HETATM 2106 O HOH A4095 34.712 47.315 17.737 1.00 26.57 O HETATM 2107 O HOH A4096 -5.393 44.022 6.482 1.00 23.62 O HETATM 2108 O HOH A4097 -0.397 58.027 11.413 1.00 20.07 O HETATM 2109 O HOH A4098 12.113 33.939 25.500 1.00 18.59 O HETATM 2110 O HOH A4099 10.312 41.845 26.714 1.00 21.69 O HETATM 2111 O HOH A4100 -4.209 44.109 0.919 1.00 22.22 O HETATM 2112 O HOH A4101 5.691 33.167 16.439 1.00 25.60 O HETATM 2113 O HOH A4102 21.544 39.411 -9.189 1.00 19.46 O HETATM 2114 O HOH A4103 30.117 26.161 19.830 1.00 24.52 O HETATM 2115 O HOH A4104 12.554 22.116 -5.143 1.00 20.47 O HETATM 2116 O HOH A4105 4.381 54.875 -0.206 1.00 22.43 O HETATM 2117 O HOH A4106 -2.094 45.018 -3.709 1.00 23.17 O HETATM 2118 O HOH A4107 30.763 55.362 8.495 1.00 36.17 O HETATM 2119 O HOH A4108 31.803 35.470 0.460 1.00 30.79 O HETATM 2120 O HOH A4109 19.266 41.490 27.014 1.00 21.13 O HETATM 2121 O HOH A4110 13.803 54.299 22.485 1.00 21.33 O HETATM 2122 O HOH A4111 26.840 44.045 23.742 1.00 33.64 O HETATM 2123 O HOH A4112 4.920 28.877 13.039 1.00 21.96 O HETATM 2124 O HOH A4113 12.872 26.306 22.379 1.00 26.04 O HETATM 2125 O HOH A4114 33.471 25.589 -8.373 1.00 22.56 O HETATM 2126 O HOH A4115 27.586 45.420 21.799 1.00 26.49 O HETATM 2127 O HOH A4116 9.763 33.372 21.964 1.00 21.04 O HETATM 2128 O HOH A4117 30.351 23.506 -5.464 1.00 26.70 O HETATM 2129 O HOH A4118 26.519 25.822 9.025 1.00 26.53 O HETATM 2130 O HOH A4119 4.476 27.390 -4.346 1.00 25.54 O HETATM 2131 O HOH A4120 7.147 58.029 18.472 1.00 22.61 O HETATM 2132 O HOH A4121 16.754 21.671 12.363 1.00 23.96 O HETATM 2133 O HOH A4122 23.721 55.408 9.794 1.00 22.06 O HETATM 2134 O HOH A4123 4.990 56.709 3.580 1.00 21.76 O HETATM 2135 O HOH A4124 5.446 28.825 3.473 1.00 22.09 O HETATM 2136 O HOH A4125 18.914 61.326 12.578 1.00 22.14 O HETATM 2137 O HOH A4126 2.668 54.298 2.512 1.00 24.08 O HETATM 2138 O HOH A4127 26.423 49.692 23.719 1.00 29.54 O HETATM 2139 O HOH A4128 7.298 53.430 23.229 1.00 19.85 O HETATM 2140 O HOH A4129 15.936 48.422 -12.840 1.00 28.32 O HETATM 2141 O HOH A4130 12.925 30.633 23.588 1.00 35.55 O HETATM 2142 O HOH A4131 0.058 36.938 7.949 1.00 30.39 O HETATM 2143 O HOH A4132 17.005 55.440 -10.219 1.00 28.35 O HETATM 2144 O HOH A4133 24.004 19.514 -4.295 1.00 27.70 O HETATM 2145 O HOH A4134 19.731 54.732 20.323 1.00 22.01 O HETATM 2146 O HOH A4135 22.494 23.827 15.117 1.00 24.38 O HETATM 2147 O HOH A4136 23.184 19.436 3.924 1.00 31.76 O HETATM 2148 O HOH A4137 -3.498 37.650 2.899 1.00 21.26 O HETATM 2149 O HOH A4138 34.149 45.348 0.373 1.00 27.58 O HETATM 2150 O HOH A4139 14.995 51.963 23.972 1.00 23.24 O HETATM 2151 O HOH A4140 3.909 61.609 11.423 1.00 23.00 O HETATM 2152 O HOH A4141 25.357 32.423 23.271 1.00 17.81 O HETATM 2153 O HOH A4142 16.104 30.930 -10.788 1.00 27.26 O HETATM 2154 O HOH A4143 27.667 24.617 -1.956 1.00 26.44 O HETATM 2155 O HOH A4144 9.345 25.074 0.217 1.00 27.54 O HETATM 2156 O HOH A4145 10.890 25.978 -7.908 1.00 25.30 O HETATM 2157 O HOH A4146 7.312 34.343 25.875 1.00 26.27 O HETATM 2158 O HOH A4147 25.603 56.732 10.937 1.00 26.10 O HETATM 2159 O HOH A4148 25.247 29.829 23.123 1.00 28.31 O HETATM 2160 O HOH A4149 25.003 25.294 1.493 1.00 22.76 O HETATM 2161 O HOH A4150 17.171 38.073 -12.890 1.00 26.68 O HETATM 2162 O HOH A4151 30.154 35.499 -4.872 1.00 33.48 O HETATM 2163 O HOH A4152 21.750 47.945 -8.557 1.00 20.74 O HETATM 2164 O HOH A4153 3.730 46.490 -9.933 1.00 22.57 O HETATM 2165 O HOH A4154 0.065 39.966 -1.738 1.00 34.38 O HETATM 2166 O HOH A4155 28.035 35.324 24.234 1.00 26.71 O HETATM 2167 O HOH A4156 21.348 42.608 13.283 1.00 22.30 O HETATM 2168 O HOH A4157 21.124 47.324 26.437 1.00 24.97 O HETATM 2169 O HOH A4158 10.550 56.908 -0.462 1.00 23.84 O HETATM 2170 O HOH A4159 21.375 19.017 -1.203 1.00 33.45 O HETATM 2171 O HOH A4160 12.915 61.387 18.078 1.00 23.96 O HETATM 2172 O HOH A4161 -0.101 54.524 2.396 1.00 28.38 O HETATM 2173 O HOH A4162 36.123 38.896 14.710 1.00 22.42 O HETATM 2174 O HOH A4163 13.064 40.502 27.323 1.00 28.38 O HETATM 2175 O HOH A4164 -2.059 37.811 0.535 1.00 22.49 O HETATM 2176 O HOH A4165 33.040 29.612 -3.172 1.00 28.45 O HETATM 2177 O HOH A4166 -6.919 43.238 4.567 1.00 26.59 O HETATM 2178 O HOH A4167 32.988 49.085 14.074 1.00 39.83 O HETATM 2179 O HOH A4168 6.273 38.974 27.337 1.00 27.22 O HETATM 2180 O HOH A4169 26.887 52.845 -0.976 1.00 28.62 O HETATM 2181 O HOH A4170 11.736 42.547 -12.606 1.00 28.95 O HETATM 2182 O HOH A4171 30.987 23.514 19.458 1.00 28.89 O HETATM 2183 O HOH A4172 -5.709 55.528 10.483 1.00 25.11 O HETATM 2184 O HOH A4173 6.809 36.036 28.385 1.00 33.87 O HETATM 2185 O HOH A4174 6.852 31.686 18.240 1.00 30.13 O HETATM 2186 O HOH A4175 32.085 38.085 0.918 1.00 23.86 O HETATM 2187 O HOH A4176 -3.450 32.811 1.821 1.00 32.61 O HETATM 2188 O HOH A4177 -4.743 42.206 2.907 1.00 26.29 O HETATM 2189 O HOH A4178 19.899 60.483 9.545 1.00 27.93 O HETATM 2190 O HOH A4179 21.577 43.966 15.576 1.00 24.87 O HETATM 2191 O HOH A4180 20.412 40.266 25.445 1.00 25.89 O HETATM 2192 O HOH A4181 7.084 60.795 4.527 1.00 23.38 O HETATM 2193 O HOH A4182 22.075 57.264 2.006 1.00 25.86 O HETATM 2194 O HOH A4183 17.029 52.772 25.433 1.00 28.30 O HETATM 2195 O HOH A4184 26.370 56.485 6.634 1.00 31.30 O HETATM 2196 O HOH A4185 0.356 60.149 14.112 1.00 27.51 O HETATM 2197 O HOH A4186 29.131 42.074 -4.049 1.00 31.65 O HETATM 2198 O HOH A4187 30.529 42.294 24.228 1.00 26.35 O HETATM 2199 O HOH A4188 29.262 53.880 2.385 1.00 29.97 O HETATM 2200 O HOH A4189 17.227 62.605 16.567 1.00 31.68 O HETATM 2201 O HOH A4190 32.257 35.678 15.003 1.00 30.18 O HETATM 2202 O HOH A4191 9.931 21.069 1.019 1.00 32.53 O HETATM 2203 O HOH A4192 31.034 27.799 6.838 1.00 28.17 O HETATM 2204 O HOH A4193 20.591 21.070 -2.406 1.00 32.21 O HETATM 2205 O HOH A4194 23.505 58.696 -0.046 0.50 23.80 O HETATM 2206 O HOH A4195 22.274 41.785 16.672 1.00 25.42 O HETATM 2207 O HOH A4196 24.997 59.549 12.342 1.00 29.72 O HETATM 2208 O HOH A4197 24.419 55.189 3.532 1.00 28.06 O HETATM 2209 O HOH A4198 12.983 23.994 -7.179 1.00 27.79 O HETATM 2210 O HOH A4199 11.995 65.086 15.269 1.00 33.68 O HETATM 2211 O HOH A4200 19.248 59.718 5.885 1.00 29.48 O HETATM 2212 O HOH A4201 21.680 40.300 14.435 1.00 30.57 O HETATM 2213 O HOH A4202 1.691 48.185 -9.825 1.00 30.79 O HETATM 2214 O HOH A4203 10.249 30.725 -8.552 1.00 35.44 O HETATM 2215 O HOH A4204 6.240 35.080 21.679 1.00 34.24 O HETATM 2216 O HOH A4205 4.976 27.973 15.619 1.00 29.58 O HETATM 2217 O HOH A4206 20.837 62.371 13.946 1.00 28.46 O HETATM 2218 O HOH A4207 36.543 42.637 12.372 1.00 27.08 O HETATM 2219 O HOH A4208 23.352 27.367 19.132 1.00 23.92 O HETATM 2220 O HOH A4209 12.501 30.580 20.136 1.00 31.82 O HETATM 2221 O HOH A4210 5.598 35.773 24.208 1.00 21.61 O HETATM 2222 O HOH A4211 0.317 49.320 -7.802 1.00 27.29 O HETATM 2223 O HOH A4212 25.406 31.507 19.782 1.00 29.89 O HETATM 2224 O HOH A4213 4.290 52.027 -10.573 1.00 31.28 O HETATM 2225 O HOH A4214 9.148 54.155 24.994 1.00 38.74 O HETATM 2226 O HOH A4215 20.859 47.529 -11.106 1.00 32.44 O HETATM 2227 O HOH A4216 18.493 24.566 19.423 1.00 36.83 O HETATM 2228 O HOH A4217 24.531 59.830 14.768 1.00 33.67 O HETATM 2229 O HOH A4218 11.208 60.853 16.124 1.00 35.07 O HETATM 2230 O HOH A4219 37.681 38.385 11.457 1.00 29.23 O HETATM 2231 O HOH A4220 29.304 56.470 5.977 1.00 33.93 O HETATM 2232 O HOH A4221 30.614 30.324 16.195 1.00 31.61 O HETATM 2233 O HOH A4222 16.181 40.832 28.105 1.00 30.92 O HETATM 2234 O HOH A4223 0.347 35.765 12.653 1.00 30.09 O HETATM 2235 O HOH A4224 28.305 22.019 7.486 1.00 32.04 O HETATM 2236 O HOH A4225 20.173 43.282 29.061 1.00 28.07 O HETATM 2237 O HOH A4226 0.062 52.077 -7.790 1.00 27.29 O HETATM 2238 O HOH A4227 14.301 20.457 12.313 1.00 28.55 O HETATM 2239 O HOH A4228 16.155 63.936 14.477 1.00 30.07 O HETATM 2240 O HOH A4229 1.223 25.161 10.591 1.00 32.69 O HETATM 2241 O HOH A4230 9.482 22.798 -0.889 1.00 31.01 O HETATM 2242 O HOH A4231 -6.255 33.167 2.731 1.00 29.69 O HETATM 2243 O HOH A4232 2.091 28.302 12.919 1.00 36.97 O HETATM 2244 O HOH A4233 9.097 49.822 30.708 1.00 48.34 O HETATM 2245 O HOH A4234 9.523 46.190 28.421 1.00 36.10 O HETATM 2246 O HOH A4235 13.827 57.541 21.031 1.00 29.02 O HETATM 2247 O HOH A4236 28.256 26.434 10.690 1.00 36.75 O HETATM 2248 O HOH A4237 31.409 22.184 -3.472 1.00 30.23 O HETATM 2249 O HOH A4238 24.853 41.645 -5.857 1.00 36.43 O HETATM 2250 O HOH A4239 0.442 28.766 10.790 1.00 31.07 O HETATM 2251 O HOH A4240 8.038 40.886 27.733 1.00 30.99 O HETATM 2252 O HOH A4241 22.885 21.554 1.003 1.00 32.95 O HETATM 2253 O HOH A4242 21.075 15.894 6.437 1.00 34.36 O HETATM 2254 O HOH A4243 3.764 24.462 12.521 1.00 27.47 O HETATM 2255 O HOH A4244 22.207 28.341 14.910 1.00 26.90 O HETATM 2256 O HOH A4245 20.933 20.961 21.955 1.00 29.46 O HETATM 2257 O HOH A4246 8.436 53.470 -8.484 1.00 29.89 O HETATM 2258 O HOH A4247 6.079 48.682 -13.439 1.00 35.77 O HETATM 2259 O HOH A4248 32.573 41.952 -1.838 1.00 33.82 O HETATM 2260 O HOH A4249 9.587 58.416 21.467 1.00 36.46 O HETATM 2261 O HOH A4250 9.250 32.293 -11.187 1.00 33.40 O HETATM 2262 O HOH A4251 2.289 60.372 9.130 1.00 32.70 O HETATM 2263 O HOH A4252 -1.398 53.378 -1.131 1.00 32.48 O HETATM 2264 O HOH A4253 33.789 38.198 3.191 1.00 26.23 O HETATM 2265 O HOH A4254 29.007 36.053 -7.352 1.00 25.35 O HETATM 2266 O HOH A4255 27.335 48.364 -5.786 1.00 32.79 O HETATM 2267 O HOH A4256 25.787 46.686 -7.349 1.00 30.01 O HETATM 2268 O HOH A4257 1.514 53.738 -6.231 1.00 36.61 O HETATM 2269 O HOH A4258 12.964 60.109 20.367 1.00 33.23 O HETATM 2270 O HOH A4259 34.364 34.496 13.758 1.00 39.73 O HETATM 2271 O HOH A4260 21.406 55.875 18.293 1.00 31.36 O HETATM 2272 O HOH A4261 24.701 19.697 6.647 1.00 27.91 O HETATM 2273 O HOH A4262 32.727 28.213 -8.518 1.00 31.18 O HETATM 2274 O HOH A4263 15.897 40.440 -13.167 1.00 34.94 O HETATM 2275 O HOH A4264 7.460 59.467 1.885 1.00 31.17 O HETATM 2276 O HOH A4265 4.783 42.909 -8.634 1.00 31.72 O HETATM 2277 O HOH A4266 -5.943 46.569 0.996 1.00 31.95 O HETATM 2278 O HOH A4267 33.576 29.715 -6.442 1.00 28.79 O HETATM 2279 O HOH A4268 27.845 33.469 22.422 1.00 29.71 O HETATM 2280 O HOH A4269 8.473 60.811 16.785 1.00 41.09 O HETATM 2281 O HOH A4270 24.731 36.483 -10.735 1.00 35.23 O HETATM 2282 O HOH A4271 30.188 44.309 -5.400 1.00 37.71 O HETATM 2283 O HOH A4272 8.185 63.978 13.030 1.00 36.38 O HETATM 2284 O HOH A4273 17.691 55.151 24.292 1.00 33.17 O HETATM 2285 O HOH A4274 32.155 31.928 1.815 1.00 34.04 O HETATM 2286 O HOH A4275 22.697 58.843 16.197 1.00 37.00 O HETATM 2287 O HOH A4276 36.157 42.859 20.837 1.00 37.92 O HETATM 2288 O HOH A4277 28.674 51.294 18.942 1.00 36.14 O HETATM 2289 O HOH A4278 21.008 19.254 9.695 1.00 35.44 O HETATM 2290 O HOH A4279 33.561 46.317 21.741 1.00 39.08 O HETATM 2291 O HOH A4280 23.446 23.143 -1.620 1.00 33.32 O HETATM 2292 O HOH A4281 17.877 46.478 26.244 1.00 29.58 O HETATM 2293 O HOH A4282 5.622 60.377 16.954 1.00 45.76 O HETATM 2294 O HOH A4283 20.339 15.041 -3.263 1.00 34.78 O HETATM 2295 O HOH A4284 -3.154 54.266 -3.315 1.00 32.89 O HETATM 2296 O HOH A4285 7.197 61.679 10.441 1.00 30.06 O HETATM 2297 O HOH A4286 23.809 20.603 8.897 1.00 37.12 O HETATM 2298 O HOH A4287 19.868 41.188 15.541 1.00 28.51 O HETATM 2299 O HOH A4288 26.716 54.178 18.754 1.00 38.76 O HETATM 2300 O HOH A4289 1.685 52.534 -10.053 1.00 39.40 O HETATM 2301 O HOH A4290 0.218 39.754 -6.901 1.00 29.48 O HETATM 2302 O HOH A4291 36.254 36.626 16.028 1.00 42.07 O HETATM 2303 O HOH A4292 8.441 29.768 -5.569 1.00 31.32 O HETATM 2304 O HOH A4293 5.602 53.819 -9.031 1.00 35.93 O HETATM 2305 O HOH A4294 7.923 51.429 28.832 1.00 39.70 O HETATM 2306 O HOH A4295 0.462 29.970 8.460 1.00 38.14 O HETATM 2307 O HOH A4296 15.292 40.379 25.561 1.00 46.78 O HETATM 2308 O HOH A4297 29.582 55.438 16.557 1.00 37.66 O HETATM 2309 O HOH A4298 25.406 22.217 10.362 1.00 36.01 O HETATM 2310 O HOH A4299 17.296 54.174 -12.456 1.00 32.82 O HETATM 2311 O HOH A4300 34.178 52.187 3.258 1.00 30.64 O HETATM 2312 O HOH A4301 -3.129 29.875 2.083 1.00 41.81 O HETATM 2313 O HOH A4302 22.104 58.731 4.235 1.00 34.80 O HETATM 2314 O HOH A4303 7.919 25.169 16.867 1.00 38.98 O HETATM 2315 O HOH A4304 4.876 29.893 18.177 1.00 42.58 O HETATM 2316 O HOH A4305 -2.512 40.527 0.348 1.00 31.30 O HETATM 2317 O HOH A4306 36.093 36.894 6.960 1.00 42.82 O HETATM 2318 O HOH A4307 7.473 32.678 20.827 1.00 33.98 O HETATM 2319 O HOH A4308 10.261 43.887 -14.431 1.00 40.61 O HETATM 2320 O HOH A4309 2.155 21.884 10.624 1.00 40.60 O HETATM 2321 O HOH A4310 16.537 38.093 28.712 1.00 41.26 O HETATM 2322 O HOH A4311 5.463 42.782 -11.023 1.00 33.80 O CONECT 1982 1983 1984 1985 1986 CONECT 1983 1982 CONECT 1984 1982 CONECT 1985 1982 CONECT 1986 1982 CONECT 1987 1988 CONECT 1988 1987 1989 1992 CONECT 1989 1988 1990 CONECT 1990 1989 1991 CONECT 1991 1990 1995 CONECT 1992 1988 1993 1994 CONECT 1993 1992 CONECT 1994 1992 CONECT 1995 1991 1996 CONECT 1996 1995 1997 1998 CONECT 1997 1996 2002 CONECT 1998 1996 1999 2000 CONECT 1999 1998 CONECT 2000 1998 2001 2002 CONECT 2001 2000 CONECT 2002 1997 2000 2003 CONECT 2003 2002 2004 2012 CONECT 2004 2003 2005 CONECT 2005 2004 2006 CONECT 2006 2005 2007 2012 CONECT 2007 2006 2008 2009 CONECT 2008 2007 CONECT 2009 2007 2010 CONECT 2010 2009 2011 CONECT 2011 2010 2012 CONECT 2012 2003 2006 2011 END