USER MOD reduce.3.24.130724 H: found=0, std=0, add=1999, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 09-DEC-18 6NBP TITLE CRYSTAL STRUCTURE OF A SUGAR N-FORMYLTRANSFERASE FROM THE PLANT TITLE 2 PATHOGEN PANTOEA ANANATIS COMPND MOL_ID: 1; COMPND 2 MOLECULE: N-FORMYLTRANSFERASE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PANTOEA ANANATIS; SOURCE 3 ORGANISM_TAXID: 553; SOURCE 4 STRAIN: NFR11; SOURCE 5 GENE: SAMN03097714_1080; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: ROSETTA2(DE3) KEYWDS SUGAR BIOSYNTHESIS, O-ANTIGEN, PANTOEA, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR D.L.HOFMEISTER,J.B.THODEN,H.M.HOLDEN REVDAT 1 19-DEC-18 6NBP 0 JRNL AUTH D.L.HOFMEISTER,J.B.THODEN,H.M.HOLDEN JRNL TITL INVESTIGATION OF A SUGAR N-FORMYLTRANFERASE FROM THE PLANT JRNL TITL 2 PATHOGEN PANTOEA ANANATIS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0222 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 3 NUMBER OF REFLECTIONS : 30727 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) : 0.188 REMARK 3 R VALUE (WORKING SET) : 0.186 REMARK 3 FREE R VALUE : 0.226 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 1537 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) : 2096 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 91.79 REMARK 3 BIN R VALUE (WORKING SET) : 0.3510 REMARK 3 BIN FREE R VALUE SET COUNT : 107 REMARK 3 BIN FREE R VALUE : 0.3720 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1965 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 56 REMARK 3 SOLVENT ATOMS : 251 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.51 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.48000 REMARK 3 B22 (A**2) : 0.48000 REMARK 3 B33 (A**2) : -1.56000 REMARK 3 B12 (A**2) : 0.24000 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): 0.105 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.108 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.090 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.943 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.963 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.947 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2095 ; 0.011 ; 0.015 REMARK 3 BOND LENGTHS OTHERS (A): 1846 ; 0.001 ; 0.017 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2848 ; 1.554 ; 1.770 REMARK 3 BOND ANGLES OTHERS (DEGREES): 4330 ; 0.504 ; 1.720 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 252 ; 6.786 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 87 ;35.091 ;20.345 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 311 ;16.251 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 13 ;21.798 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 288 ; 0.068 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2335 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 395 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 990 ; 2.248 ; 2.517 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 991 ; 2.247 ; 2.518 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1236 ; 3.390 ; 3.753 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 1237 ; 3.388 ; 3.754 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1105 ; 2.875 ; 2.834 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 1102 ; 2.820 ; 2.819 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1602 ; 4.395 ; 4.113 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 2370 ; 6.407 ;31.360 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 2296 ; 6.312 ;30.686 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 6NBP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-DEC-18. REMARK 100 THE DEPOSITION ID IS D_1000238515. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-APR-18 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8 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 RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : BRUKER PLATINUM 135 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : SAINT REMARK 200 DATA SCALING SOFTWARE : SADABS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32264 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : 7.600 REMARK 200 R MERGE (I) : 0.06100 REMARK 200 R SYM (I) : 0.06100 REMARK 200 FOR THE DATA SET : 13.1000 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) : 1.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.1 REMARK 200 DATA REDUNDANCY IN SHELL : 3.70 REMARK 200 R MERGE FOR SHELL (I) : 0.43300 REMARK 200 R SYM FOR SHELL (I) : 0.43300 REMARK 200 FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 4YFV REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.29 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 13-16%PEG-3350, 2 MM FOLINIC ACID, 5 REMARK 280 MM DTDP-QUI4N, 200 MM NACL, 100 MM HEPES, PH 8, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 29.19700 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 58.39400 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 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 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 58.39400 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 29.19700 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4330 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 23300 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -50.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -29.19700 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 A 539 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 593 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 GLY A -2 REMARK 465 GLY A -1 REMARK 465 HIS A 0 REMARK 465 MET A 1 REMARK 465 THR A 2 REMARK 465 GLN A 3 REMARK 465 VAL A 4 REMARK 465 SER A 5 REMARK 465 LYS A 6 REMARK 465 VAL A 7 REMARK 465 ALA A 8 REMARK 465 THR A 9 REMARK 465 ASP A 10 REMARK 465 ALA A 11 REMARK 465 ARG A 12 REMARK 465 GLU A 144 REMARK 465 VAL A 145 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LEU A 13 CG CD1 CD2 REMARK 470 PHE A 55 CG CD1 CD2 CE1 CE2 CZ REMARK 470 GLU A 245 CG CD OE1 OE2 REMARK 470 LYS A 246 CG CD CE NZ REMARK 470 ARG A 248 CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 591 O HOH A 598 2.11 REMARK 500 O3 FON A 302 O HOH A 401 2.12 REMARK 500 OD1 ASP A 223 O2 PO4 A 304 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 528 O HOH A 592 4555 2.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 57 -115.45 -92.62 REMARK 500 LEU A 91 78.87 -102.81 REMARK 500 ASN A 239 -74.54 -103.47 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 44 0.14 SIDE CHAIN REMARK 500 ARG A 249 0.24 SIDE CHAIN REMARK 500 ARG A 253 0.16 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 651 DISTANCE = 7.07 ANGSTROMS REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 FON A 302 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 303 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ILE A 151 O REMARK 620 2 THR A 192 O 108.0 REMARK 620 3 HOH A 539 O 174.3 70.5 REMARK 620 4 THR A 192 OG1 144.1 36.3 34.2 REMARK 620 5 HOH A 596 O 118.3 123.4 66.2 93.9 REMARK 620 6 HOH A 539 O 174.3 70.5 0.0 34.2 66.2 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue 0FX A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue FON A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 A 304 DBREF 6NBP A -2 260 PDB 6NBP 6NBP -2 260 SEQRES 1 A 263 GLY GLY HIS MET THR GLN VAL SER LYS VAL ALA THR ASP SEQRES 2 A 263 ALA ARG LEU THR ALA GLN ALA GLN ARG LEU LEU VAL VAL SEQRES 3 A 263 SER ASP ASN GLN GLU LEU SER LEU TYR LEU LYS GLU GLU SEQRES 4 A 263 LEU GLU LYS GLN SER PHE GLU ARG PRO PHE ASN ALA ASP SEQRES 5 A 263 PHE CYS TYR THR SER PHE ASN THR ASN PRO GLN GLN MET SEQRES 6 A 263 MET ALA MET GLY ALA THR LYS ILE ASN ILE LYS ASP GLU SEQRES 7 A 263 PHE THR VAL GLU ARG ILE ILE ASN GLU TYR ASP LEU VAL SEQRES 8 A 263 PHE SER LEU HIS CYS LYS GLN ILE PHE PRO ALA LYS LEU SEQRES 9 A 263 THR ASP ASN VAL CYS CYS ILE ASN PHE HIS PRO GLY LEU SEQRES 10 A 263 ASN PRO TYR ASN ARG GLY TRP TYR PRO GLN ALA PHE SER SEQRES 11 A 263 ILE ILE ASN GLY LEU PRO THR GLY ALA THR ILE HIS LEU SEQRES 12 A 263 MET ASP ALA GLU VAL ASP HIS GLY ASP ILE ILE ASP GLN SEQRES 13 A 263 GLN GLU VAL GLU VAL LYS MET SER ASP THR SER LEU THR SEQRES 14 A 263 VAL TYR ARG LYS VAL ILE ALA ILE GLU LYS HIS LEU ILE SEQRES 15 A 263 SER ARG ASN ILE PHE THR ILE ILE THR ARG SER TYR THR SEQRES 16 A 263 THR LYS LYS PRO GLN ALA GLU GLY ASN TYR ASN GLY ILE SEQRES 17 A 263 LYS ASP PHE ASN ALA LEU CYS GLU LEU ASP LEU ASN SER SEQRES 18 A 263 ILE GLY THR LEU ASP GLU HIS LEU LYS ILE LEU ARG ALA SEQRES 19 A 263 THR THR HIS GLY ASP PHE LYS ASN ALA PHE PHE CYS ASP SEQRES 20 A 263 GLU LYS GLY ARG ARG PHE PHE VAL ARG ILE VAL ILE ASP SEQRES 21 A 263 GLU ALA PHE HET 0FX A 301 35 HET FON A 302 15 HET NA A 303 1 HET PO4 A 304 5 HETNAM 0FX DTDP-4-AMINO-4,6-DIDEOXYGLUCOSE HETNAM FON N-{[4-({[(6R)-2-AMINO-5-FORMYL-4-OXO-1,4,5,6,7,8- HETNAM 2 FON HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)PHENYL]CARBONYL}- HETNAM 3 FON L-GLUTAMIC ACID HETNAM NA SODIUM ION HETNAM PO4 PHOSPHATE ION HETSYN FON [6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE; 6R-FOLINIC ACID FORMUL 2 0FX C16 H27 N3 O14 P2 FORMUL 3 FON C20 H23 N7 O7 FORMUL 4 NA NA 1+ FORMUL 5 PO4 O4 P 3- FORMUL 6 HOH *251(H2 O) HELIX 1 AA1 ASN A 26 LYS A 39 1 14 HELIX 2 AA2 ASN A 58 MET A 65 1 8 HELIX 3 AA3 ASP A 74 TYR A 85 1 12 HELIX 4 AA4 PRO A 98 ASP A 103 1 6 HELIX 5 AA5 TYR A 122 GLY A 131 1 10 HELIX 6 AA6 THR A 163 THR A 188 1 26 HELIX 7 AA7 GLY A 204 GLU A 213 1 10 HELIX 8 AA8 THR A 221 THR A 233 1 13 SHEET 1 AA1 7 THR A 68 LYS A 69 0 SHEET 2 AA1 7 ASN A 47 TYR A 52 1 N TYR A 52 O THR A 68 SHEET 3 AA1 7 ARG A 19 SER A 24 1 N VAL A 22 O ASP A 49 SHEET 4 AA1 7 LEU A 87 LEU A 91 1 O PHE A 89 N VAL A 23 SHEET 5 AA1 7 CYS A 107 HIS A 111 1 O ILE A 108 N SER A 90 SHEET 6 AA1 7 THR A 134 LEU A 140 -1 O HIS A 139 N ASN A 109 SHEET 7 AA1 7 ILE A 150 VAL A 156 -1 O ASP A 152 N ILE A 138 SHEET 1 AA2 2 ARG A 119 GLY A 120 0 SHEET 2 AA2 2 TYR A 202 ASN A 203 1 O ASN A 203 N ARG A 119 SHEET 1 AA3 2 ALA A 240 CYS A 243 0 SHEET 2 AA3 2 ARG A 249 VAL A 252 -1 O PHE A 250 N PHE A 242 LINK O ILE A 151 NA NA A 303 1555 1555 2.68 LINK O THR A 192 NA NA A 303 1555 1555 2.95 LINK NA NA A 303 O HOH A 539 1555 1555 3.18 LINK OG1 THR A 192 NA NA A 303 1555 5555 2.93 LINK NA NA A 303 O HOH A 596 1555 5555 2.44 LINK NA NA A 303 O HOH A 539 1555 5555 3.18 CISPEP 1 ASN A 115 PRO A 116 0 8.59 SITE *** AC1 26 GLN A 60 MET A 63 HIS A 92 CYS A 93 SITE *** AC1 26 LYS A 94 HIS A 111 GLY A 120 TRP A 121 SITE *** AC1 26 TYR A 122 GLN A 124 TYR A 168 HIS A 234 SITE *** AC1 26 PHE A 237 ASN A 239 FON A 302 HOH A 401 SITE *** AC1 26 HOH A 418 HOH A 433 HOH A 444 HOH A 445 SITE *** AC1 26 HOH A 454 HOH A 477 HOH A 481 HOH A 547 SITE *** AC1 26 HOH A 557 HOH A 588 SITE *** AC2 9 SER A 90 CYS A 93 GLN A 95 PHE A 97 SITE *** AC2 9 ASN A 109 MET A 141 0FX A 301 HOH A 401 SITE *** AC2 9 HOH A 556 SITE *** AC3 3 ILE A 151 THR A 192 HOH A 596 SITE *** AC4 6 MET A 160 ASP A 223 LEU A 226 LYS A 227 SITE *** AC4 6 ARG A 230 PHE A 242 CRYST1 75.928 75.928 87.591 90.00 90.00 120.00 P 31 2 1 6 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 0.013170 0.007604 0.000000 0.00000 SCALE2 0.000000 0.015208 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011417 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 185 THR OG1 : rot 53:sc= 0.0345 USER MOD Set 1.2: A 188 THR OG1 : rot -75:sc= 0.549 USER MOD Set 1.3: A 190 SER OG : rot 60:sc= 0.367 USER MOD Set 2.1: A 168 TYR OH : rot 37:sc= 2.48 USER MOD Set 2.2: A 301 0FX O4P : rot -39:sc= 2 USER MOD Set 3.1: A 163 THR OG1 : rot -50:sc= 0.355 USER MOD Set 3.2: A 166 THR OG1 : rot -170:sc= 0.543 USER MOD Set 4.1: A 124 GLN : amide:sc= 3.05 K(o=8,f=-0.19!) USER MOD Set 4.2: A 164 SER OG : rot -89:sc= 1.74 USER MOD Set 4.3: A 234 HIS : no HD1:sc= 1.33 K(o=8,f=-4.4!) USER MOD Set 4.4: A 301 0FX O3 : rot 3:sc= 1.85 USER MOD Set 5.1: A 137 THR OG1 : rot 77:sc= 1.19 USER MOD Set 5.2: A 153 GLN : amide:sc= -0.395 K(o=1.1,f=-0.37) USER MOD Set 5.3: A 194 LYS NZ :NH3+ -141:sc= 0.26 (180deg=0) USER MOD Set 6.1: A 118 ASN : amide:sc= 1.63 K(o=8.2,f=-4.1!) USER MOD Set 6.2: A 127 SER OG : rot -93:sc= 0.821 USER MOD Set 6.3: A 130 ASN : amide:sc= 0.489 K(o=8.2,f=-3.4!) USER MOD Set 6.4: A 201 ASN : amide:sc= 1.95 K(o=8.2,f=2.1!) USER MOD Set 6.5: A 203 ASN : amide:sc= 3.36 K(o=8.2,f=6.3) USER MOD Set 7.1: A 111 HIS : no HE2:sc= 2.66 K(o=5.4,f=-3.6!) USER MOD Set 7.2: A 115 ASN : amide:sc= 2.2 K(o=5.4,f=3.3) USER MOD Set 7.3: A 301 0FX O3G : rot 33:sc= 0.527 USER MOD Set 8.1: A 90 SER OG : rot -104:sc= -1.04 USER MOD Set 8.2: A 109 ASN :FLIP amide:sc= 1.61 F(o=-0.37,f=2.3) USER MOD Set 8.3: A 139 HIS : no HE2:sc= 1.72 K(o=2.3,f=-4.7!) USER MOD Set 9.1: A 54 SER OG : rot 37:sc= 2.19 USER MOD Set 9.2: A 56 ASN :FLIP amide:sc= -0.319 F(o=0.73!,f=5.2) USER MOD Set 9.3: A 57 THR OG1 : rot 76:sc= 1.03 USER MOD Set 9.4: A 94 LYS NZ :NH3+ -176:sc= 2.28 (180deg=1.23) USER MOD Set10.1: A 71 ASN : amide:sc= 0.208 K(o=1.2,f=-7.1) USER MOD Set10.2: A 95 GLN : amide:sc= 0.95 K(o=1.2,f=-5.2!) USER MOD Set11.1: A 24 SER OG : rot 41:sc= 1.71 USER MOD Set11.2: A 30 SER OG : rot 80:sc= -0.36 USER MOD Set11.3: A 62 MET CE :methyl -165:sc= -0.0977 (180deg=-0.46) USER MOD Set12.1: A 51 CYS SG : rot -70:sc= 0.601 USER MOD Set12.2: A 68 THR OG1 : rot -80:sc= 0.941 USER MOD Set13.1: A 32 TYR OH : rot 172:sc= 2.56 USER MOD Set13.2: A 180 SER OG : rot -139:sc= 1.01 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.215 K(o=0.21,f=-3.4!) USER MOD Single : A 18 GLN : amide:sc= 1.16 K(o=1.2,f=0.27) USER MOD Single : A 26 ASN : amide:sc= 0.737 K(o=0.74,f=-3!) USER MOD Single : A 27 GLN : amide:sc= 1.47 K(o=1.5,f=-2.4!) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0.166 (180deg=0.157) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 0.00908 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.324 X(o=-0.32,f=0.023) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.324 X(o=0.32,f=-0.059) USER MOD Single : A 52 TYR OH : rot 30:sc= 1.31 USER MOD Single : A 53 THR OG1 : rot -67:sc= 1.73 USER MOD Single : A 58 ASN : amide:sc= 0.00278 X(o=0.0028,f=0.11) USER MOD Single : A 60 GLN : amide:sc= 1.04 X(o=1,f=0.99) USER MOD Single : A 61 GLN : amide:sc= 1.05 K(o=1.1,f=-0.31) USER MOD Single : A 63 MET CE :methyl -111:sc= -0.0128 (180deg=-0.0334) USER MOD Single : A 65 MET CE :methyl -124:sc= -0.0858 (180deg=-0.356) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -37:sc= 1.98 USER MOD Single : A 83 ASN A: amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 83 ASN B: amide:sc= 0.785 X(o=0.79,f=0.61) USER MOD Single : A 85 TYR OH : rot 29:sc= 2.25 USER MOD Single : A 92 HIS : +bothHN:sc= 1.22 K(o=1.2,f=-7.3!) USER MOD Single : A 93 CYS SG : rot -98:sc= 0.306 USER MOD Single : A 100 LYS NZ :NH3+ -110:sc= 0.542 (180deg=-0.104) USER MOD Single : A 102 THR OG1 : rot 89:sc= 2.16 USER MOD Single : A 104 ASN : amide:sc= 1.18 K(o=1.2,f=0.32) USER MOD Single : A 106 CYS SG : rot -44:sc= 0.124 USER MOD Single : A 107 CYS SG : rot 66:sc= 0.0692 USER MOD Single : A 117 TYR OH : rot 125:sc= 1.58 USER MOD Single : A 122 TYR OH : rot -5:sc= 1.31 USER MOD Single : A 134 THR OG1 : rot 63:sc= 0.311 USER MOD Single : A 141 MET CE :methyl 170:sc=-0.00878 (180deg=-0.135) USER MOD Single : A 147 HIS : no HD1:sc= 0.84 K(o=0.84,f=-4.6!) USER MOD Single : A 154 GLN : amide:sc= -0.631 K(o=-0.63,f=-1.4!) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 161 SER OG : rot -142:sc= 2.34 USER MOD Single : A 170 LYS NZ :NH3+ 179:sc= 2.69 (180deg=2.68) USER MOD Single : A 176 LYS NZ :NH3+ -156:sc= 1.82 (180deg=1.13) USER MOD Single : A 177 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 182 ASN : amide:sc= 2.29 K(o=2.3,f=-0.2!) USER MOD Single : A 191 TYR OH : rot -22:sc= 1.27 USER MOD Single : A 192 THR OG1 : rot -157:sc= 0.456 USER MOD Single : A 193 THR OG1 : rot -102:sc= 0.00281 USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 GLN : amide:sc=-0.00648 X(o=-0.0065,f=0) USER MOD Single : A 202 TYR OH : rot 180:sc= 1.11 USER MOD Single : A 206 LYS NZ :NH3+ 160:sc= 0.0727 (180deg=-0.123) USER MOD Single : A 209 ASN : amide:sc= 0.00588 K(o=0.0059,f=-0.65) USER MOD Single : A 212 CYS SG : rot 180:sc= -0.421 USER MOD Single : A 217 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.34) USER MOD Single : A 218 SER OG : rot -94:sc= 1.3 USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.207 USER MOD Single : A 225 HIS : no HE2:sc= 1.29 K(o=1.3,f=-2.2!) USER MOD Single : A 227 LYS NZ :NH3+ 172:sc= 1.81 (180deg=1.73) USER MOD Single : A 232 THR OG1 : rot -76:sc= 2.04 USER MOD Single : A 233 THR OG1 : rot 88:sc= 1.49 USER MOD Single : A 238 LYS NZ :NH3+ 168:sc= 1.89 (180deg=1.73) USER MOD Single : A 239 ASN : amide:sc= 1.52 K(o=1.5,f=-4.3!) USER MOD Single : A 243 CYS SG : rot 180:sc= 0 USER MOD Single : A 301 0FX O2G : rot -139:sc= 1.6 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 13 19.724 13.414 35.083 1.00 61.24 N ATOM 2 CA LEU A 13 20.349 12.105 34.745 1.00 61.61 C ATOM 3 C LEU A 13 19.317 10.970 34.840 1.00 59.99 C ATOM 4 O LEU A 13 19.384 10.049 34.041 1.00 56.95 O ATOM 5 CB LEU A 13 21.540 11.848 35.642 1.00 59.70 C ATOM 0 HA LEU A 13 20.665 12.136 33.828 1.00 61.61 H new ATOM 6 N THR A 14 18.366 11.043 35.781 1.00 62.22 N ATOM 7 CA THR A 14 17.534 9.875 36.162 1.00 57.47 C ATOM 8 C THR A 14 16.031 10.108 35.931 1.00 51.43 C ATOM 9 O THR A 14 15.308 9.137 35.788 1.00 54.17 O ATOM 10 CB THR A 14 17.815 9.492 37.625 1.00 64.28 C ATOM 11 OG1 THR A 14 19.058 8.789 37.584 1.00 68.59 O ATOM 12 CG2 THR A 14 16.738 8.649 38.286 1.00 61.62 C ATOM 0 H THR A 14 18.182 11.762 36.216 1.00 62.22 H new ATOM 0 HA THR A 14 17.783 9.139 35.581 1.00 57.47 H new ATOM 0 HB THR A 14 17.837 10.293 38.172 1.00 64.28 H new ATOM 0 HG1 THR A 14 19.271 8.551 38.361 1.00 68.59 H new ATOM 0 HG21 THR A 14 16.995 8.455 39.201 1.00 61.62 H new ATOM 0 HG22 THR A 14 15.899 9.135 38.283 1.00 61.62 H new ATOM 0 HG23 THR A 14 16.632 7.818 37.797 1.00 61.62 H new ATOM 13 N ALA A 15 15.517 11.330 35.951 1.00 42.51 N ATOM 14 CA ALA A 15 14.055 11.491 35.932 1.00 46.56 C ATOM 15 C ALA A 15 13.536 11.384 34.486 1.00 44.05 C ATOM 16 O ALA A 15 14.271 11.676 33.530 1.00 40.19 O ATOM 17 CB ALA A 15 13.653 12.804 36.575 1.00 47.68 C ATOM 0 H ALA A 15 15.971 12.060 35.975 1.00 42.51 H new ATOM 0 HA ALA A 15 13.649 10.780 36.452 1.00 46.56 H new ATOM 0 HB1 ALA A 15 12.687 12.893 36.553 1.00 47.68 H new ATOM 0 HB2 ALA A 15 13.958 12.821 37.496 1.00 47.68 H new ATOM 0 HB3 ALA A 15 14.056 13.540 36.088 1.00 47.68 H new ATOM 18 N GLN A 16 12.286 10.937 34.356 1.00 33.26 N ATOM 19 CA GLN A 16 11.610 10.848 33.060 1.00 33.99 C ATOM 20 C GLN A 16 11.609 12.208 32.364 1.00 34.02 C ATOM 21 O GLN A 16 11.168 13.237 32.939 1.00 27.89 O ATOM 22 CB GLN A 16 10.150 10.429 33.207 1.00 34.49 C ATOM 23 CG GLN A 16 9.453 10.109 31.883 1.00 32.91 C ATOM 24 CD GLN A 16 7.960 10.275 32.024 1.00 36.24 C ATOM 25 OE1 GLN A 16 7.337 9.589 32.828 1.00 37.15 O ATOM 26 NE2 GLN A 16 7.366 11.209 31.291 1.00 32.83 N ATOM 0 H GLN A 16 11.805 10.676 35.019 1.00 33.26 H new ATOM 0 HA GLN A 16 12.096 10.185 32.545 1.00 33.99 H new ATOM 0 HB2 GLN A 16 10.104 9.649 33.782 1.00 34.49 H new ATOM 0 HB3 GLN A 16 9.663 11.139 33.654 1.00 34.49 H new ATOM 0 HG2 GLN A 16 9.785 10.695 31.185 1.00 32.91 H new ATOM 0 HG3 GLN A 16 9.660 9.201 31.613 1.00 32.91 H new ATOM 0 HE21 GLN A 16 7.826 11.676 30.735 1.00 32.83 H new ATOM 0 HE22 GLN A 16 6.521 11.347 31.373 1.00 32.83 H new ATOM 27 N ALA A 17 12.001 12.194 31.085 1.00 27.95 N ATOM 28 CA ALA A 17 11.753 13.351 30.229 1.00 26.38 C ATOM 29 C ALA A 17 10.248 13.578 30.099 1.00 26.69 C ATOM 30 O ALA A 17 9.497 12.643 29.893 1.00 28.70 O ATOM 31 CB ALA A 17 12.389 13.105 28.863 1.00 25.77 C ATOM 0 H ALA A 17 12.404 11.537 30.703 1.00 27.95 H new ATOM 0 HA ALA A 17 12.148 14.147 30.618 1.00 26.38 H new ATOM 0 HB1 ALA A 17 12.228 13.870 28.289 1.00 25.77 H new ATOM 0 HB2 ALA A 17 13.345 12.976 28.969 1.00 25.77 H new ATOM 0 HB3 ALA A 17 11.999 12.313 28.462 1.00 25.77 H new ATOM 32 N GLN A 18 9.820 14.832 30.194 1.00 25.86 N ATOM 33 CA GLN A 18 8.426 15.219 30.070 1.00 27.57 C ATOM 34 C GLN A 18 8.202 16.108 28.839 1.00 26.60 C ATOM 35 O GLN A 18 7.055 16.254 28.392 1.00 24.16 O ATOM 36 CB GLN A 18 7.971 15.991 31.319 1.00 29.84 C ATOM 37 CG GLN A 18 8.144 15.193 32.614 1.00 31.38 C ATOM 38 CD GLN A 18 7.539 15.855 33.835 1.00 35.67 C ATOM 39 OE1 GLN A 18 6.805 16.839 33.741 1.00 35.32 O ATOM 40 NE2 GLN A 18 7.855 15.301 34.996 1.00 34.11 N ATOM 0 H GLN A 18 10.348 15.496 30.336 1.00 25.86 H new ATOM 0 HA GLN A 18 7.908 14.404 29.974 1.00 27.57 H new ATOM 0 HB2 GLN A 18 8.476 16.817 31.384 1.00 29.84 H new ATOM 0 HB3 GLN A 18 7.038 16.236 31.219 1.00 29.84 H new ATOM 0 HG2 GLN A 18 7.741 14.318 32.500 1.00 31.38 H new ATOM 0 HG3 GLN A 18 9.091 15.051 32.771 1.00 31.38 H new ATOM 0 HE21 GLN A 18 8.371 14.614 35.018 1.00 34.11 H new ATOM 0 HE22 GLN A 18 7.544 15.629 35.728 1.00 34.11 H new ATOM 41 N ARG A 19 9.270 16.693 28.295 1.00 26.79 N ATOM 42 CA ARG A 19 9.153 17.613 27.155 1.00 26.30 C ATOM 43 C ARG A 19 10.245 17.316 26.122 1.00 21.83 C ATOM 44 O ARG A 19 11.419 17.701 26.327 1.00 22.78 O ATOM 45 CB ARG A 19 9.304 19.061 27.627 1.00 30.18 C ATOM 46 CG ARG A 19 8.038 19.671 28.225 1.00 35.86 C ATOM 47 CD ARG A 19 8.295 20.481 29.485 1.00 40.60 C ATOM 48 NE ARG A 19 9.602 21.131 29.614 1.00 45.51 N ATOM 49 CZ ARG A 19 10.518 20.875 30.559 1.00 45.13 C ATOM 50 NH1 ARG A 19 11.657 21.554 30.564 1.00 48.47 N ATOM 51 NH2 ARG A 19 10.290 19.963 31.493 1.00 46.99 N ATOM 0 H ARG A 19 10.075 16.571 28.571 1.00 26.79 H new ATOM 0 HA ARG A 19 8.279 17.489 26.753 1.00 26.30 H new ATOM 0 HB2 ARG A 19 10.012 19.101 28.289 1.00 30.18 H new ATOM 0 HB3 ARG A 19 9.587 19.606 26.876 1.00 30.18 H new ATOM 0 HG2 ARG A 19 7.618 20.241 27.562 1.00 35.86 H new ATOM 0 HG3 ARG A 19 7.409 18.961 28.428 1.00 35.86 H new ATOM 0 HD2 ARG A 19 7.612 21.167 29.545 1.00 40.60 H new ATOM 0 HD3 ARG A 19 8.175 19.894 30.248 1.00 40.60 H new ATOM 0 HE ARG A 19 9.799 21.731 29.031 1.00 45.51 H new ATOM 0 HH11 ARG A 19 11.803 22.153 29.964 1.00 48.47 H new ATOM 0 HH12 ARG A 19 12.249 21.396 31.167 1.00 48.47 H new ATOM 0 HH21 ARG A 19 9.548 19.528 31.497 1.00 46.99 H new ATOM 0 HH22 ARG A 19 10.884 19.806 32.095 1.00 46.99 H new ATOM 52 N LEU A 20 9.841 16.630 25.058 1.00 22.90 N ATOM 53 CA LEU A 20 10.753 16.150 24.010 1.00 20.60 C ATOM 54 C LEU A 20 10.561 17.034 22.781 1.00 19.63 C ATOM 55 O LEU A 20 9.445 17.273 22.338 1.00 19.64 O ATOM 56 CB LEU A 20 10.459 14.685 23.665 1.00 19.97 C ATOM 57 CG LEU A 20 11.156 14.108 22.422 1.00 19.63 C ATOM 58 CD1 LEU A 20 12.660 13.992 22.640 1.00 19.78 C ATOM 59 CD2 LEU A 20 10.552 12.745 22.089 1.00 18.64 C ATOM 0 H LEU A 20 9.018 16.425 24.918 1.00 22.90 H new ATOM 0 HA LEU A 20 11.671 16.198 24.320 1.00 20.60 H new ATOM 0 HB2 LEU A 20 10.705 14.140 24.429 1.00 19.97 H new ATOM 0 HB3 LEU A 20 9.501 14.590 23.545 1.00 19.97 H new ATOM 0 HG LEU A 20 11.016 14.711 21.676 1.00 19.63 H new ATOM 0 HD11 LEU A 20 13.075 13.626 21.843 1.00 19.78 H new ATOM 0 HD12 LEU A 20 13.029 14.870 22.823 1.00 19.78 H new ATOM 0 HD13 LEU A 20 12.834 13.406 23.393 1.00 19.78 H new ATOM 0 HD21 LEU A 20 10.991 12.379 21.305 1.00 18.64 H new ATOM 0 HD22 LEU A 20 10.678 12.143 22.839 1.00 18.64 H new ATOM 0 HD23 LEU A 20 9.604 12.846 21.911 1.00 18.64 H new ATOM 60 N LEU A 21 11.688 17.420 22.221 1.00 18.66 N ATOM 61 CA LEU A 21 11.744 18.042 20.909 1.00 18.18 C ATOM 62 C LEU A 21 12.392 17.039 19.954 1.00 17.30 C ATOM 63 O LEU A 21 13.558 16.657 20.146 1.00 15.95 O ATOM 64 CB LEU A 21 12.583 19.319 20.960 1.00 18.20 C ATOM 65 CG LEU A 21 12.732 20.057 19.628 1.00 18.03 C ATOM 66 CD1 LEU A 21 11.391 20.497 19.052 1.00 19.91 C ATOM 67 CD2 LEU A 21 13.653 21.263 19.768 1.00 18.90 C ATOM 0 H LEU A 21 12.457 17.328 22.595 1.00 18.66 H new ATOM 0 HA LEU A 21 10.852 18.280 20.611 1.00 18.18 H new ATOM 0 HB2 LEU A 21 12.185 19.924 21.605 1.00 18.20 H new ATOM 0 HB3 LEU A 21 13.467 19.094 21.289 1.00 18.20 H new ATOM 0 HG LEU A 21 13.127 19.424 19.009 1.00 18.03 H new ATOM 0 HD11 LEU A 21 11.536 20.959 18.211 1.00 19.91 H new ATOM 0 HD12 LEU A 21 10.832 19.719 18.901 1.00 19.91 H new ATOM 0 HD13 LEU A 21 10.951 21.094 19.677 1.00 19.91 H new ATOM 0 HD21 LEU A 21 13.731 21.712 18.912 1.00 18.90 H new ATOM 0 HD22 LEU A 21 13.285 21.877 20.423 1.00 18.90 H new ATOM 0 HD23 LEU A 21 14.530 20.968 20.059 1.00 18.90 H new ATOM 68 N VAL A 22 11.693 16.769 18.883 1.00 16.63 N ATOM 69 CA VAL A 22 12.251 15.952 17.808 1.00 16.88 C ATOM 70 C VAL A 22 12.558 16.866 16.642 1.00 17.57 C ATOM 71 O VAL A 22 11.641 17.426 16.066 1.00 18.49 O ATOM 72 CB VAL A 22 11.281 14.858 17.353 1.00 15.77 C ATOM 73 CG1 VAL A 22 11.886 13.961 16.291 1.00 17.47 C ATOM 74 CG2 VAL A 22 10.825 14.045 18.517 1.00 17.56 C ATOM 0 H VAL A 22 10.890 17.044 18.746 1.00 16.63 H new ATOM 0 HA VAL A 22 13.050 15.510 18.135 1.00 16.88 H new ATOM 0 HB VAL A 22 10.516 15.303 16.956 1.00 15.77 H new ATOM 0 HG11 VAL A 22 11.241 13.285 16.032 1.00 17.47 H new ATOM 0 HG12 VAL A 22 12.125 14.493 15.516 1.00 17.47 H new ATOM 0 HG13 VAL A 22 12.680 13.531 16.645 1.00 17.47 H new ATOM 0 HG21 VAL A 22 10.212 13.358 18.212 1.00 17.56 H new ATOM 0 HG22 VAL A 22 11.592 13.629 18.941 1.00 17.56 H new ATOM 0 HG23 VAL A 22 10.374 14.619 19.156 1.00 17.56 H new ATOM 75 N VAL A 23 13.832 16.975 16.319 1.00 16.98 N ATOM 76 CA VAL A 23 14.248 17.702 15.127 1.00 17.10 C ATOM 77 C VAL A 23 14.601 16.676 14.037 1.00 17.61 C ATOM 78 O VAL A 23 15.473 15.810 14.197 1.00 16.87 O ATOM 79 CB VAL A 23 15.405 18.670 15.403 1.00 17.43 C ATOM 80 CG1 VAL A 23 15.579 19.636 14.238 1.00 18.94 C ATOM 81 CG2 VAL A 23 15.205 19.403 16.723 1.00 18.83 C ATOM 0 H VAL A 23 14.477 16.636 16.775 1.00 16.98 H new ATOM 0 HA VAL A 23 13.516 18.262 14.824 1.00 17.10 H new ATOM 0 HB VAL A 23 16.224 18.156 15.486 1.00 17.43 H new ATOM 0 HG11 VAL A 23 16.313 20.241 14.426 1.00 18.94 H new ATOM 0 HG12 VAL A 23 15.772 19.136 13.429 1.00 18.94 H new ATOM 0 HG13 VAL A 23 14.763 20.146 14.116 1.00 18.94 H new ATOM 0 HG21 VAL A 23 15.949 20.007 16.874 1.00 18.83 H new ATOM 0 HG22 VAL A 23 14.379 19.910 16.690 1.00 18.83 H new ATOM 0 HG23 VAL A 23 15.160 18.759 17.447 1.00 18.83 H new ATOM 82 N SER A 24 13.871 16.761 12.931 1.00 16.06 N ATOM 83 CA SER A 24 13.938 15.704 11.889 1.00 16.91 C ATOM 84 C SER A 24 13.738 16.299 10.510 1.00 17.33 C ATOM 85 O SER A 24 12.862 17.135 10.333 1.00 17.49 O ATOM 86 CB SER A 24 12.878 14.618 12.119 1.00 16.32 C ATOM 87 OG SER A 24 13.074 13.557 11.206 1.00 17.38 O ATOM 0 H SER A 24 13.333 17.408 12.753 1.00 16.06 H new ATOM 0 HA SER A 24 14.819 15.302 11.949 1.00 16.91 H new ATOM 0 HB2 SER A 24 12.934 14.287 13.029 1.00 16.32 H new ATOM 0 HB3 SER A 24 11.990 14.992 12.007 1.00 16.32 H new ATOM 0 HG SER A 24 13.896 13.403 11.128 1.00 17.38 H new ATOM 88 N ASP A 25 14.482 15.772 9.537 1.00 19.01 N ATOM 89 CA ASP A 25 14.200 16.047 8.157 1.00 17.53 C ATOM 90 C ASP A 25 13.828 14.752 7.425 1.00 17.45 C ATOM 91 O ASP A 25 13.902 14.709 6.167 1.00 18.19 O ATOM 92 CB ASP A 25 15.375 16.786 7.520 1.00 17.86 C ATOM 93 CG ASP A 25 15.540 18.163 8.140 1.00 18.99 C ATOM 94 OD1 ASP A 25 14.583 18.958 7.970 1.00 20.58 O ATOM 95 OD2 ASP A 25 16.580 18.418 8.797 1.00 19.04 O ATOM 0 H ASP A 25 15.154 15.252 9.669 1.00 19.01 H new ATOM 0 HA ASP A 25 13.431 16.634 8.086 1.00 17.53 H new ATOM 0 HB2 ASP A 25 16.189 16.273 7.639 1.00 17.86 H new ATOM 0 HB3 ASP A 25 15.230 16.871 6.565 1.00 17.86 H new ATOM 96 N ASN A 26 13.339 13.769 8.176 1.00 16.50 N ATOM 97 CA ASN A 26 12.894 12.513 7.586 1.00 15.73 C ATOM 98 C ASN A 26 11.488 12.189 8.070 1.00 17.69 C ATOM 99 O ASN A 26 11.293 11.801 9.213 1.00 16.95 O ATOM 100 CB ASN A 26 13.874 11.395 7.921 1.00 16.27 C ATOM 101 CG ASN A 26 13.552 10.093 7.217 1.00 16.39 C ATOM 102 OD1 ASN A 26 12.661 9.353 7.656 1.00 15.76 O ATOM 103 ND2 ASN A 26 14.263 9.823 6.124 1.00 18.29 N ATOM 0 H ASN A 26 13.257 13.811 9.031 1.00 16.50 H new ATOM 0 HA ASN A 26 12.869 12.600 6.620 1.00 15.73 H new ATOM 0 HB2 ASN A 26 14.771 11.675 7.678 1.00 16.27 H new ATOM 0 HB3 ASN A 26 13.873 11.247 8.880 1.00 16.27 H new ATOM 0 HD21 ASN A 26 14.114 9.101 5.681 1.00 18.29 H new ATOM 0 HD22 ASN A 26 14.872 10.371 5.861 1.00 18.29 H new ATOM 104 N GLN A 27 10.509 12.316 7.179 1.00 18.56 N ATOM 105 CA GLN A 27 9.104 12.152 7.558 1.00 21.75 C ATOM 106 C GLN A 27 8.833 10.679 7.923 1.00 18.48 C ATOM 107 O GLN A 27 8.044 10.370 8.789 1.00 18.32 O ATOM 108 CB GLN A 27 8.205 12.646 6.422 1.00 23.89 C ATOM 109 CG GLN A 27 6.732 12.499 6.730 1.00 25.64 C ATOM 110 CD GLN A 27 6.162 11.375 5.907 1.00 32.43 C ATOM 111 OE1 GLN A 27 6.763 10.297 5.772 1.00 33.63 O ATOM 112 NE2 GLN A 27 5.034 11.664 5.281 1.00 32.82 N ATOM 0 H GLN A 27 10.635 12.497 6.348 1.00 18.56 H new ATOM 0 HA GLN A 27 8.903 12.686 8.342 1.00 21.75 H new ATOM 0 HB2 GLN A 27 8.402 13.579 6.243 1.00 23.89 H new ATOM 0 HB3 GLN A 27 8.412 12.152 5.613 1.00 23.89 H new ATOM 0 HG2 GLN A 27 6.605 12.319 7.675 1.00 25.64 H new ATOM 0 HG3 GLN A 27 6.266 13.327 6.534 1.00 25.64 H new ATOM 0 HE21 GLN A 27 4.655 12.426 5.408 1.00 32.82 H new ATOM 0 HE22 GLN A 27 4.679 11.090 4.747 1.00 32.82 H new ATOM 113 N GLU A 28 9.499 9.770 7.240 1.00 18.68 N ATOM 114 CA GLU A 28 9.170 8.364 7.428 1.00 19.47 C ATOM 115 C GLU A 28 9.504 7.971 8.876 1.00 17.89 C ATOM 116 O GLU A 28 8.730 7.347 9.528 1.00 17.71 O ATOM 117 CB GLU A 28 9.909 7.521 6.387 1.00 19.97 C ATOM 118 CG GLU A 28 9.826 6.038 6.689 1.00 20.16 C ATOM 119 CD GLU A 28 10.459 5.108 5.667 1.00 19.51 C ATOM 120 OE1 GLU A 28 10.061 3.930 5.670 1.00 18.06 O ATOM 121 OE2 GLU A 28 11.319 5.555 4.882 1.00 18.12 O ATOM 0 H GLU A 28 10.128 9.933 6.677 1.00 18.68 H new ATOM 0 HA GLU A 28 8.223 8.202 7.293 1.00 19.47 H new ATOM 0 HB2 GLU A 28 9.534 7.692 5.509 1.00 19.97 H new ATOM 0 HB3 GLU A 28 10.840 7.792 6.356 1.00 19.97 H new ATOM 0 HG2 GLU A 28 10.247 5.878 7.548 1.00 20.16 H new ATOM 0 HG3 GLU A 28 8.891 5.798 6.782 1.00 20.16 H new ATOM 122 N LEU A 29 10.670 8.347 9.367 1.00 17.48 N ATOM 123 CA LEU A 29 11.071 7.973 10.709 1.00 17.73 C ATOM 124 C LEU A 29 10.320 8.825 11.737 1.00 17.84 C ATOM 125 O LEU A 29 10.019 8.325 12.797 1.00 18.01 O ATOM 126 CB LEU A 29 12.569 8.129 10.888 1.00 16.34 C ATOM 127 CG LEU A 29 13.387 7.102 10.122 1.00 17.78 C ATOM 128 CD1 LEU A 29 14.857 7.451 10.170 1.00 18.90 C ATOM 129 CD2 LEU A 29 13.143 5.705 10.684 1.00 17.66 C ATOM 0 H LEU A 29 11.246 8.821 8.939 1.00 17.48 H new ATOM 0 HA LEU A 29 10.846 7.040 10.848 1.00 17.73 H new ATOM 0 HB2 LEU A 29 12.830 9.018 10.601 1.00 16.34 H new ATOM 0 HB3 LEU A 29 12.783 8.062 11.832 1.00 16.34 H new ATOM 0 HG LEU A 29 13.105 7.112 9.194 1.00 17.78 H new ATOM 0 HD11 LEU A 29 15.364 6.787 9.677 1.00 18.90 H new ATOM 0 HD12 LEU A 29 14.996 8.324 9.771 1.00 18.90 H new ATOM 0 HD13 LEU A 29 15.156 7.466 11.093 1.00 18.90 H new ATOM 0 HD21 LEU A 29 13.670 5.060 10.187 1.00 17.66 H new ATOM 0 HD22 LEU A 29 13.402 5.682 11.619 1.00 17.66 H new ATOM 0 HD23 LEU A 29 12.202 5.484 10.604 1.00 17.66 H new ATOM 130 N SER A 30 10.044 10.074 11.400 1.00 18.09 N ATOM 131 CA SER A 30 9.264 10.969 12.318 1.00 19.89 C ATOM 132 C SER A 30 7.860 10.389 12.573 1.00 21.37 C ATOM 133 O SER A 30 7.385 10.360 13.709 1.00 19.51 O ATOM 134 CB SER A 30 9.203 12.371 11.786 1.00 19.36 C ATOM 135 OG SER A 30 10.439 13.059 11.933 1.00 18.91 O ATOM 0 H SER A 30 10.285 10.440 10.660 1.00 18.09 H new ATOM 0 HA SER A 30 9.725 11.010 13.171 1.00 19.89 H new ATOM 0 HB2 SER A 30 8.958 12.348 10.848 1.00 19.36 H new ATOM 0 HB3 SER A 30 8.506 12.861 12.250 1.00 19.36 H new ATOM 0 HG SER A 30 10.966 12.823 11.323 1.00 18.91 H new ATOM 136 N LEU A 31 7.195 9.935 11.527 1.00 22.57 N ATOM 137 CA LEU A 31 5.844 9.333 11.668 1.00 22.40 C ATOM 138 C LEU A 31 5.933 8.043 12.477 1.00 22.93 C ATOM 139 O LEU A 31 5.105 7.779 13.333 1.00 22.69 O ATOM 140 CB LEU A 31 5.233 9.023 10.302 1.00 25.27 C ATOM 141 CG LEU A 31 4.501 10.172 9.627 1.00 31.01 C ATOM 142 CD1 LEU A 31 4.068 9.775 8.215 1.00 35.80 C ATOM 143 CD2 LEU A 31 3.302 10.615 10.462 1.00 32.96 C ATOM 0 H LEU A 31 7.493 9.958 10.720 1.00 22.57 H new ATOM 0 HA LEU A 31 5.278 9.975 12.125 1.00 22.40 H new ATOM 0 HB2 LEU A 31 5.941 8.721 9.711 1.00 25.27 H new ATOM 0 HB3 LEU A 31 4.614 8.283 10.404 1.00 25.27 H new ATOM 0 HG LEU A 31 5.110 10.924 9.557 1.00 31.01 H new ATOM 0 HD11 LEU A 31 3.603 10.517 7.798 1.00 35.80 H new ATOM 0 HD12 LEU A 31 4.850 9.547 7.688 1.00 35.80 H new ATOM 0 HD13 LEU A 31 3.476 9.008 8.262 1.00 35.80 H new ATOM 0 HD21 LEU A 31 2.849 11.347 10.015 1.00 32.96 H new ATOM 0 HD22 LEU A 31 2.688 9.871 10.567 1.00 32.96 H new ATOM 0 HD23 LEU A 31 3.606 10.908 11.335 1.00 32.96 H new ATOM 144 N TYR A 32 6.936 7.239 12.173 1.00 21.55 N ATOM 145 CA TYR A 32 7.119 6.016 12.898 1.00 21.75 C ATOM 146 C TYR A 32 7.301 6.328 14.391 1.00 23.63 C ATOM 147 O TYR A 32 6.723 5.655 15.265 1.00 23.85 O ATOM 148 CB TYR A 32 8.310 5.237 12.325 1.00 21.44 C ATOM 149 CG TYR A 32 8.520 3.902 12.985 1.00 22.97 C ATOM 150 CD1 TYR A 32 7.896 2.782 12.454 1.00 23.80 C ATOM 151 CD2 TYR A 32 9.231 3.762 14.167 1.00 23.68 C ATOM 152 CE1 TYR A 32 8.036 1.546 13.038 1.00 25.70 C ATOM 153 CE2 TYR A 32 9.334 2.531 14.789 1.00 25.45 C ATOM 154 CZ TYR A 32 8.738 1.418 14.216 1.00 25.64 C ATOM 155 OH TYR A 32 8.853 0.162 14.740 1.00 24.64 O ATOM 0 H TYR A 32 7.514 7.388 11.554 1.00 21.55 H new ATOM 0 HA TYR A 32 6.334 5.455 12.803 1.00 21.75 H new ATOM 0 HB2 TYR A 32 8.173 5.103 11.374 1.00 21.44 H new ATOM 0 HB3 TYR A 32 9.115 5.770 12.424 1.00 21.44 H new ATOM 0 HD1 TYR A 32 7.374 2.869 11.689 1.00 23.80 H new ATOM 0 HD2 TYR A 32 9.643 4.504 14.546 1.00 23.68 H new ATOM 0 HE1 TYR A 32 7.657 0.797 12.638 1.00 25.70 H new ATOM 0 HE2 TYR A 32 9.801 2.450 15.589 1.00 25.45 H new ATOM 0 HH TYR A 32 9.387 0.177 15.389 1.00 24.64 H new ATOM 156 N LEU A 33 8.152 7.291 14.714 1.00 22.41 N ATOM 157 CA LEU A 33 8.406 7.617 16.127 1.00 21.66 C ATOM 158 C LEU A 33 7.132 8.150 16.793 1.00 22.16 C ATOM 159 O LEU A 33 6.819 7.799 17.925 1.00 23.63 O ATOM 160 CB LEU A 33 9.520 8.655 16.237 1.00 21.84 C ATOM 161 CG LEU A 33 9.764 9.225 17.637 1.00 20.83 C ATOM 162 CD1 LEU A 33 10.154 8.101 18.603 1.00 22.74 C ATOM 163 CD2 LEU A 33 10.848 10.286 17.621 1.00 21.16 C ATOM 0 H LEU A 33 8.591 7.766 14.147 1.00 22.41 H new ATOM 0 HA LEU A 33 8.681 6.806 16.583 1.00 21.66 H new ATOM 0 HB2 LEU A 33 10.345 8.254 15.921 1.00 21.84 H new ATOM 0 HB3 LEU A 33 9.314 9.390 15.638 1.00 21.84 H new ATOM 0 HG LEU A 33 8.939 9.639 17.937 1.00 20.83 H new ATOM 0 HD11 LEU A 33 10.306 8.472 19.486 1.00 22.74 H new ATOM 0 HD12 LEU A 33 9.438 7.448 18.646 1.00 22.74 H new ATOM 0 HD13 LEU A 33 10.965 7.671 18.289 1.00 22.74 H new ATOM 0 HD21 LEU A 33 10.980 10.628 18.519 1.00 21.16 H new ATOM 0 HD22 LEU A 33 11.676 9.898 17.298 1.00 21.16 H new ATOM 0 HD23 LEU A 33 10.582 11.012 17.035 1.00 21.16 H new ATOM 164 N LYS A 34 6.449 9.042 16.114 1.00 23.67 N ATOM 165 CA LYS A 34 5.245 9.642 16.660 1.00 26.09 C ATOM 166 C LYS A 34 4.224 8.552 16.972 1.00 29.18 C ATOM 167 O LYS A 34 3.590 8.640 18.018 1.00 30.53 O ATOM 168 CB LYS A 34 4.679 10.695 15.715 1.00 27.44 C ATOM 169 CG LYS A 34 3.408 11.397 16.181 1.00 31.22 C ATOM 170 CD LYS A 34 3.110 12.624 15.350 1.00 35.96 C ATOM 171 CE LYS A 34 1.920 13.422 15.844 1.00 41.81 C ATOM 172 NZ LYS A 34 0.725 13.196 14.998 1.00 45.12 N ATOM 0 H LYS A 34 6.663 9.319 15.329 1.00 23.67 H new ATOM 0 HA LYS A 34 5.466 10.098 17.487 1.00 26.09 H new ATOM 0 HB2 LYS A 34 5.361 11.367 15.562 1.00 27.44 H new ATOM 0 HB3 LYS A 34 4.500 10.274 14.860 1.00 27.44 H new ATOM 0 HG2 LYS A 34 2.660 10.781 16.129 1.00 31.22 H new ATOM 0 HG3 LYS A 34 3.502 11.652 17.112 1.00 31.22 H new ATOM 0 HD2 LYS A 34 3.893 13.197 15.342 1.00 35.96 H new ATOM 0 HD3 LYS A 34 2.948 12.352 14.433 1.00 35.96 H new ATOM 0 HE2 LYS A 34 1.721 13.174 16.760 1.00 41.81 H new ATOM 0 HE3 LYS A 34 2.141 14.366 15.848 1.00 41.81 H new ATOM 0 HZ1 LYS A 34 0.070 13.740 15.257 1.00 45.12 H new ATOM 0 HZ2 LYS A 34 0.928 13.361 14.147 1.00 45.12 H new ATOM 0 HZ3 LYS A 34 0.458 12.351 15.081 1.00 45.12 H new ATOM 173 N GLU A 35 4.126 7.514 16.140 1.00 29.57 N ATOM 174 CA GLU A 35 3.148 6.457 16.380 1.00 32.51 C ATOM 175 C GLU A 35 3.635 5.561 17.513 1.00 33.39 C ATOM 176 O GLU A 35 2.834 5.101 18.316 1.00 31.10 O ATOM 177 CB GLU A 35 2.876 5.638 15.113 1.00 39.60 C ATOM 178 CG GLU A 35 2.169 6.432 14.024 1.00 47.03 C ATOM 179 CD GLU A 35 2.006 5.696 12.700 1.00 53.46 C ATOM 180 OE1 GLU A 35 2.101 4.456 12.728 1.00 60.09 O ATOM 181 OE2 GLU A 35 1.796 6.363 11.647 1.00 48.08 O ATOM 0 H GLU A 35 4.612 7.405 15.439 1.00 29.57 H new ATOM 0 HA GLU A 35 2.308 6.869 16.636 1.00 32.51 H new ATOM 0 HB2 GLU A 35 3.717 5.302 14.766 1.00 39.60 H new ATOM 0 HB3 GLU A 35 2.336 4.866 15.344 1.00 39.60 H new ATOM 0 HG2 GLU A 35 1.291 6.689 14.347 1.00 47.03 H new ATOM 0 HG3 GLU A 35 2.664 7.251 13.865 1.00 47.03 H new ATOM 182 N GLU A 36 4.932 5.300 17.563 1.00 27.68 N ATOM 183 CA GLU A 36 5.494 4.558 18.667 1.00 30.46 C ATOM 184 C GLU A 36 5.283 5.293 20.009 1.00 31.92 C ATOM 185 O GLU A 36 5.000 4.655 21.040 1.00 30.14 O ATOM 186 CB GLU A 36 6.977 4.296 18.403 1.00 30.45 C ATOM 187 CG GLU A 36 7.474 3.013 19.009 1.00 38.59 C ATOM 188 CD GLU A 36 6.885 1.717 18.464 1.00 37.78 C ATOM 189 OE1 GLU A 36 6.289 1.703 17.344 1.00 44.38 O ATOM 190 OE2 GLU A 36 7.015 0.731 19.160 1.00 51.45 O ATOM 0 H GLU A 36 5.500 5.545 16.966 1.00 27.68 H new ATOM 0 HA GLU A 36 5.033 3.708 18.738 1.00 30.46 H new ATOM 0 HB2 GLU A 36 7.129 4.274 17.445 1.00 30.45 H new ATOM 0 HB3 GLU A 36 7.497 5.035 18.756 1.00 30.45 H new ATOM 0 HG2 GLU A 36 8.437 2.978 18.894 1.00 38.59 H new ATOM 0 HG3 GLU A 36 7.303 3.044 19.963 1.00 38.59 H new ATOM 191 N LEU A 37 5.396 6.614 20.028 1.00 30.37 N ATOM 192 CA LEU A 37 5.242 7.349 21.276 1.00 28.77 C ATOM 193 C LEU A 37 3.788 7.292 21.738 1.00 30.72 C ATOM 194 O LEU A 37 3.556 7.208 22.927 1.00 29.55 O ATOM 195 CB LEU A 37 5.662 8.811 21.110 1.00 27.53 C ATOM 196 CG LEU A 37 7.172 9.064 21.090 1.00 26.13 C ATOM 197 CD1 LEU A 37 7.464 10.465 20.565 1.00 27.53 C ATOM 198 CD2 LEU A 37 7.793 8.850 22.465 1.00 27.18 C ATOM 0 H LEU A 37 5.560 7.100 19.338 1.00 30.37 H new ATOM 0 HA LEU A 37 5.815 6.935 21.940 1.00 28.77 H new ATOM 0 HB2 LEU A 37 5.282 9.149 20.284 1.00 27.53 H new ATOM 0 HB3 LEU A 37 5.273 9.327 21.833 1.00 27.53 H new ATOM 0 HG LEU A 37 7.579 8.419 20.490 1.00 26.13 H new ATOM 0 HD11 LEU A 37 8.422 10.614 20.557 1.00 27.53 H new ATOM 0 HD12 LEU A 37 7.116 10.552 19.664 1.00 27.53 H new ATOM 0 HD13 LEU A 37 7.040 11.121 21.140 1.00 27.53 H new ATOM 0 HD21 LEU A 37 8.747 9.018 22.419 1.00 27.18 H new ATOM 0 HD22 LEU A 37 7.388 9.460 23.102 1.00 27.18 H new ATOM 0 HD23 LEU A 37 7.639 7.936 22.751 1.00 27.18 H new ATOM 199 N GLU A 38 2.852 7.348 20.806 1.00 33.69 N ATOM 200 CA GLU A 38 1.425 7.247 21.130 1.00 40.07 C ATOM 201 C GLU A 38 1.113 5.896 21.787 1.00 42.44 C ATOM 202 O GLU A 38 0.111 5.779 22.489 1.00 46.04 O ATOM 203 CB GLU A 38 0.569 7.446 19.881 1.00 44.04 C ATOM 204 CG GLU A 38 0.036 8.864 19.740 1.00 52.24 C ATOM 205 CD GLU A 38 0.018 9.385 18.311 1.00 56.07 C ATOM 206 OE1 GLU A 38 -0.258 8.578 17.399 1.00 59.38 O ATOM 207 OE2 GLU A 38 0.283 10.592 18.110 1.00 57.89 O ATOM 0 H GLU A 38 3.018 7.445 19.968 1.00 33.69 H new ATOM 0 HA GLU A 38 1.209 7.951 21.761 1.00 40.07 H new ATOM 0 HB2 GLU A 38 1.095 7.225 19.097 1.00 44.04 H new ATOM 0 HB3 GLU A 38 -0.177 6.827 19.905 1.00 44.04 H new ATOM 0 HG2 GLU A 38 -0.865 8.897 20.097 1.00 52.24 H new ATOM 0 HG3 GLU A 38 0.578 9.458 20.283 1.00 52.24 H new ATOM 208 N LYS A 39 1.939 4.885 21.575 1.00 38.42 N ATOM 209 CA LYS A 39 1.675 3.596 22.178 1.00 40.09 C ATOM 210 C LYS A 39 2.214 3.523 23.605 1.00 36.29 C ATOM 211 O LYS A 39 2.039 2.507 24.242 1.00 36.42 O ATOM 212 CB LYS A 39 2.369 2.461 21.425 1.00 42.28 C ATOM 213 CG LYS A 39 1.843 2.158 20.037 1.00 44.28 C ATOM 214 CD LYS A 39 2.610 1.026 19.406 1.00 47.44 C ATOM 215 CE LYS A 39 2.472 0.971 17.901 1.00 50.10 C ATOM 216 NZ LYS A 39 3.461 0.031 17.329 1.00 55.74 N ATOM 0 H LYS A 39 2.649 4.924 21.091 1.00 38.42 H new ATOM 0 HA LYS A 39 0.710 3.498 22.153 1.00 40.09 H new ATOM 0 HB2 LYS A 39 3.312 2.675 21.353 1.00 42.28 H new ATOM 0 HB3 LYS A 39 2.301 1.654 21.959 1.00 42.28 H new ATOM 0 HG2 LYS A 39 0.902 1.928 20.087 1.00 44.28 H new ATOM 0 HG3 LYS A 39 1.912 2.950 19.481 1.00 44.28 H new ATOM 0 HD2 LYS A 39 3.549 1.113 19.635 1.00 47.44 H new ATOM 0 HD3 LYS A 39 2.303 0.187 19.783 1.00 47.44 H new ATOM 0 HE2 LYS A 39 1.575 0.691 17.662 1.00 50.10 H new ATOM 0 HE3 LYS A 39 2.602 1.856 17.525 1.00 50.10 H new ATOM 0 HZ1 LYS A 39 3.222 -0.184 16.499 1.00 55.74 H new ATOM 0 HZ2 LYS A 39 4.263 0.416 17.316 1.00 55.74 H new ATOM 0 HZ3 LYS A 39 3.494 -0.705 17.828 1.00 55.74 H new ATOM 217 N GLN A 40 2.957 4.509 24.070 1.00 34.02 N ATOM 218 CA GLN A 40 3.575 4.352 25.359 1.00 37.51 C ATOM 219 C GLN A 40 2.619 4.911 26.412 1.00 38.61 C ATOM 220 O GLN A 40 1.776 5.776 26.135 1.00 36.98 O ATOM 221 CB GLN A 40 4.921 5.073 25.422 1.00 34.58 C ATOM 222 CG GLN A 40 5.850 4.757 24.254 1.00 36.66 C ATOM 223 CD GLN A 40 6.310 3.323 24.211 1.00 40.01 C ATOM 224 OE1 GLN A 40 6.308 2.676 23.161 1.00 47.02 O ATOM 225 NE2 GLN A 40 6.733 2.822 25.354 1.00 35.35 N ATOM 0 H GLN A 40 3.111 5.253 23.667 1.00 34.02 H new ATOM 0 HA GLN A 40 3.748 3.412 25.524 1.00 37.51 H new ATOM 0 HB2 GLN A 40 4.764 6.030 25.448 1.00 34.58 H new ATOM 0 HB3 GLN A 40 5.366 4.836 26.251 1.00 34.58 H new ATOM 0 HG2 GLN A 40 5.394 4.966 23.424 1.00 36.66 H new ATOM 0 HG3 GLN A 40 6.627 5.335 24.305 1.00 36.66 H new ATOM 0 HE21 GLN A 40 6.719 3.304 26.066 1.00 35.35 H new ATOM 0 HE22 GLN A 40 7.023 2.013 25.388 1.00 35.35 H new ATOM 226 N SER A 41 2.772 4.421 27.622 1.00 45.56 N ATOM 227 CA SER A 41 2.134 5.054 28.762 1.00 51.76 C ATOM 228 C SER A 41 3.229 5.394 29.771 1.00 49.13 C ATOM 229 O SER A 41 4.006 4.535 30.175 1.00 52.25 O ATOM 230 CB SER A 41 1.050 4.182 29.341 1.00 58.92 C ATOM 231 OG SER A 41 1.231 2.827 28.951 1.00 65.44 O ATOM 0 H SER A 41 3.240 3.724 27.810 1.00 45.56 H new ATOM 0 HA SER A 41 1.684 5.870 28.494 1.00 51.76 H new ATOM 0 HB2 SER A 41 1.058 4.248 30.309 1.00 58.92 H new ATOM 0 HB3 SER A 41 0.182 4.496 29.042 1.00 58.92 H new ATOM 0 HG SER A 41 0.620 2.356 29.283 1.00 65.44 H new ATOM 232 N PHE A 42 3.364 6.674 30.046 1.00 43.24 N ATOM 233 CA PHE A 42 4.398 7.145 30.941 1.00 41.05 C ATOM 234 C PHE A 42 3.714 7.663 32.209 1.00 40.52 C ATOM 235 O PHE A 42 2.623 8.247 32.140 1.00 39.31 O ATOM 236 CB PHE A 42 5.247 8.236 30.280 1.00 37.76 C ATOM 237 CG PHE A 42 6.120 7.798 29.121 1.00 36.01 C ATOM 238 CD1 PHE A 42 7.244 7.002 29.324 1.00 34.24 C ATOM 239 CD2 PHE A 42 5.825 8.205 27.821 1.00 33.09 C ATOM 240 CE1 PHE A 42 8.035 6.604 28.251 1.00 35.19 C ATOM 241 CE2 PHE A 42 6.620 7.810 26.756 1.00 32.61 C ATOM 242 CZ PHE A 42 7.712 7.002 26.966 1.00 31.86 C ATOM 0 H PHE A 42 2.862 7.293 29.722 1.00 43.24 H new ATOM 0 HA PHE A 42 5.005 6.421 31.163 1.00 41.05 H new ATOM 0 HB2 PHE A 42 4.653 8.936 29.966 1.00 37.76 H new ATOM 0 HB3 PHE A 42 5.817 8.631 30.958 1.00 37.76 H new ATOM 0 HD1 PHE A 42 7.468 6.734 30.186 1.00 34.24 H new ATOM 0 HD2 PHE A 42 5.086 8.748 27.666 1.00 33.09 H new ATOM 0 HE1 PHE A 42 8.782 6.070 28.398 1.00 35.19 H new ATOM 0 HE2 PHE A 42 6.413 8.093 25.895 1.00 32.61 H new ATOM 0 HZ PHE A 42 8.232 6.724 26.247 1.00 31.86 H new ATOM 243 N GLU A 43 4.371 7.476 33.338 1.00 41.66 N ATOM 244 CA GLU A 43 3.784 7.831 34.635 1.00 47.24 C ATOM 245 C GLU A 43 3.708 9.353 34.793 1.00 50.03 C ATOM 246 O GLU A 43 2.725 9.856 35.318 1.00 51.83 O ATOM 247 CB GLU A 43 4.606 7.220 35.768 1.00 49.23 C ATOM 248 CG GLU A 43 4.990 5.784 35.485 1.00 54.45 C ATOM 249 CD GLU A 43 5.175 4.916 36.711 1.00 62.36 C ATOM 250 OE1 GLU A 43 5.462 5.482 37.790 1.00 61.83 O ATOM 251 OE2 GLU A 43 5.047 3.676 36.574 1.00 65.16 O ATOM 0 H GLU A 43 5.163 7.144 33.384 1.00 41.66 H new ATOM 0 HA GLU A 43 2.883 7.475 34.675 1.00 47.24 H new ATOM 0 HB2 GLU A 43 5.409 7.747 35.904 1.00 49.23 H new ATOM 0 HB3 GLU A 43 4.097 7.261 36.593 1.00 49.23 H new ATOM 0 HG2 GLU A 43 4.307 5.386 34.924 1.00 54.45 H new ATOM 0 HG3 GLU A 43 5.815 5.779 34.975 1.00 54.45 H new ATOM 252 N ARG A 44 4.753 10.052 34.358 1.00 48.03 N ATOM 253 CA ARG A 44 4.805 11.537 34.448 1.00 47.27 C ATOM 254 C ARG A 44 4.271 12.130 33.139 1.00 43.86 C ATOM 255 O ARG A 44 4.198 11.380 32.145 1.00 37.79 O ATOM 256 CB ARG A 44 6.238 12.005 34.721 1.00 49.07 C ATOM 257 CG ARG A 44 6.893 11.333 35.919 1.00 52.11 C ATOM 258 CD ARG A 44 7.537 12.332 36.862 1.00 60.86 C ATOM 259 NE ARG A 44 8.688 11.775 37.560 1.00 68.40 N ATOM 260 CZ ARG A 44 9.763 12.470 37.911 1.00 73.94 C ATOM 261 NH1 ARG A 44 10.941 11.874 37.987 1.00 74.34 N ATOM 262 NH2 ARG A 44 9.658 13.758 38.185 1.00 74.49 N ATOM 0 H ARG A 44 5.451 9.696 34.004 1.00 48.03 H new ATOM 0 HA ARG A 44 4.253 11.842 35.185 1.00 47.27 H new ATOM 0 HB2 ARG A 44 6.778 11.838 33.933 1.00 49.07 H new ATOM 0 HB3 ARG A 44 6.233 12.965 34.863 1.00 49.07 H new ATOM 0 HG2 ARG A 44 6.227 10.819 36.402 1.00 52.11 H new ATOM 0 HG3 ARG A 44 7.565 10.706 35.608 1.00 52.11 H new ATOM 0 HD2 ARG A 44 7.814 13.115 36.360 1.00 60.86 H new ATOM 0 HD3 ARG A 44 6.881 12.629 37.512 1.00 60.86 H new ATOM 0 HE ARG A 44 8.670 10.938 37.758 1.00 68.40 H new ATOM 0 HH11 ARG A 44 11.011 11.036 37.809 1.00 74.34 H new ATOM 0 HH12 ARG A 44 11.637 12.325 38.214 1.00 74.34 H new ATOM 0 HH21 ARG A 44 8.893 14.147 38.136 1.00 74.49 H new ATOM 0 HH22 ARG A 44 10.355 14.207 38.412 1.00 74.49 H new ATOM 263 N PRO A 45 3.910 13.421 33.129 1.00 39.43 N ATOM 264 CA PRO A 45 3.381 14.017 31.911 1.00 38.40 C ATOM 265 C PRO A 45 4.426 13.883 30.796 1.00 33.08 C ATOM 266 O PRO A 45 5.619 13.867 31.112 1.00 29.86 O ATOM 267 CB PRO A 45 3.152 15.497 32.250 1.00 41.92 C ATOM 268 CG PRO A 45 2.918 15.484 33.749 1.00 41.99 C ATOM 269 CD PRO A 45 3.780 14.353 34.263 1.00 40.56 C ATOM 0 HA PRO A 45 2.564 13.591 31.609 1.00 38.40 H new ATOM 0 HB2 PRO A 45 3.919 16.041 32.013 1.00 41.92 H new ATOM 0 HB3 PRO A 45 2.389 15.859 31.772 1.00 41.92 H new ATOM 0 HG2 PRO A 45 3.169 16.330 34.152 1.00 41.99 H new ATOM 0 HG3 PRO A 45 1.982 15.337 33.958 1.00 41.99 H new ATOM 0 HD2 PRO A 45 4.648 14.677 34.552 1.00 40.56 H new ATOM 0 HD3 PRO A 45 3.370 13.919 35.028 1.00 40.56 H new ATOM 270 N PHE A 46 3.959 13.781 29.560 1.00 32.75 N ATOM 271 CA PHE A 46 4.863 13.647 28.381 1.00 31.24 C ATOM 272 C PHE A 46 4.268 14.323 27.132 1.00 30.48 C ATOM 273 O PHE A 46 3.150 14.079 26.725 1.00 31.09 O ATOM 274 CB PHE A 46 5.179 12.189 28.059 1.00 31.94 C ATOM 275 CG PHE A 46 6.153 12.075 26.907 1.00 30.71 C ATOM 276 CD1 PHE A 46 7.488 12.399 27.091 1.00 28.66 C ATOM 277 CD2 PHE A 46 5.707 11.797 25.621 1.00 29.15 C ATOM 278 CE1 PHE A 46 8.380 12.347 26.023 1.00 28.63 C ATOM 279 CE2 PHE A 46 6.597 11.752 24.554 1.00 28.92 C ATOM 280 CZ PHE A 46 7.929 12.030 24.759 1.00 27.84 C ATOM 0 H PHE A 46 3.122 13.786 29.364 1.00 32.75 H new ATOM 0 HA PHE A 46 5.688 14.095 28.624 1.00 31.24 H new ATOM 0 HB2 PHE A 46 5.551 11.756 28.843 1.00 31.94 H new ATOM 0 HB3 PHE A 46 4.359 11.720 27.839 1.00 31.94 H new ATOM 0 HD1 PHE A 46 7.790 12.653 27.933 1.00 28.66 H new ATOM 0 HD2 PHE A 46 4.803 11.639 25.472 1.00 29.15 H new ATOM 0 HE1 PHE A 46 9.282 12.526 26.162 1.00 28.63 H new ATOM 0 HE2 PHE A 46 6.293 11.534 23.703 1.00 28.92 H new ATOM 0 HZ PHE A 46 8.525 12.004 24.045 1.00 27.84 H new ATOM 281 N ASN A 47 5.048 15.197 26.513 1.00 28.70 N ATOM 282 CA ASN A 47 4.650 15.796 25.241 1.00 27.49 C ATOM 283 C ASN A 47 5.878 15.773 24.323 1.00 25.89 C ATOM 284 O ASN A 47 7.004 15.930 24.809 1.00 25.71 O ATOM 285 CB ASN A 47 4.174 17.248 25.386 1.00 30.78 C ATOM 286 CG ASN A 47 3.853 17.872 24.045 1.00 30.74 C ATOM 287 OD1 ASN A 47 2.923 17.449 23.376 1.00 32.73 O ATOM 288 ND2 ASN A 47 4.653 18.830 23.609 1.00 31.83 N ATOM 0 H ASN A 47 5.812 15.459 26.810 1.00 28.70 H new ATOM 0 HA ASN A 47 3.905 15.288 24.884 1.00 27.49 H new ATOM 0 HB2 ASN A 47 3.387 17.275 25.952 1.00 30.78 H new ATOM 0 HB3 ASN A 47 4.860 17.770 25.830 1.00 30.78 H new ATOM 0 HD21 ASN A 47 4.526 19.175 22.832 1.00 31.83 H new ATOM 0 HD22 ASN A 47 5.300 19.108 24.103 1.00 31.83 H new ATOM 289 N ALA A 48 5.640 15.562 23.034 1.00 26.56 N ATOM 290 CA ALA A 48 6.697 15.667 22.036 1.00 24.89 C ATOM 291 C ALA A 48 6.254 16.650 20.950 1.00 25.89 C ATOM 292 O ALA A 48 5.122 16.577 20.495 1.00 24.80 O ATOM 293 CB ALA A 48 7.002 14.308 21.470 1.00 24.02 C ATOM 0 H ALA A 48 4.868 15.356 22.715 1.00 26.56 H new ATOM 0 HA ALA A 48 7.513 16.002 22.439 1.00 24.89 H new ATOM 0 HB1 ALA A 48 7.706 14.384 20.807 1.00 24.02 H new ATOM 0 HB2 ALA A 48 7.293 13.718 22.183 1.00 24.02 H new ATOM 0 HB3 ALA A 48 6.205 13.944 21.055 1.00 24.02 H new ATOM 294 N ASP A 49 7.142 17.585 20.590 1.00 22.77 N ATOM 295 CA ASP A 49 6.977 18.444 19.458 1.00 20.67 C ATOM 296 C ASP A 49 7.939 17.995 18.361 1.00 20.52 C ATOM 297 O ASP A 49 9.062 17.604 18.665 1.00 20.38 O ATOM 298 CB ASP A 49 7.271 19.901 19.819 1.00 20.29 C ATOM 299 CG ASP A 49 6.330 20.460 20.881 1.00 23.54 C ATOM 300 OD1 ASP A 49 5.199 19.953 20.969 1.00 22.78 O ATOM 301 OD2 ASP A 49 6.757 21.365 21.619 1.00 24.83 O ATOM 0 H ASP A 49 7.872 17.726 21.022 1.00 22.77 H new ATOM 0 HA ASP A 49 6.057 18.387 19.155 1.00 20.67 H new ATOM 0 HB2 ASP A 49 8.185 19.971 20.136 1.00 20.29 H new ATOM 0 HB3 ASP A 49 7.206 20.446 19.019 1.00 20.29 H new ATOM 302 N PHE A 50 7.482 18.076 17.111 1.00 19.10 N ATOM 303 CA PHE A 50 8.284 17.764 15.948 1.00 18.26 C ATOM 304 C PHE A 50 8.555 19.029 15.139 1.00 18.27 C ATOM 305 O PHE A 50 7.599 19.831 14.835 1.00 19.40 O ATOM 306 CB PHE A 50 7.557 16.741 15.061 1.00 18.85 C ATOM 307 CG PHE A 50 7.496 15.349 15.627 1.00 19.98 C ATOM 308 CD1 PHE A 50 8.334 14.356 15.134 1.00 20.08 C ATOM 309 CD2 PHE A 50 6.676 15.051 16.706 1.00 20.85 C ATOM 310 CE1 PHE A 50 8.315 13.086 15.684 1.00 19.92 C ATOM 311 CE2 PHE A 50 6.641 13.775 17.243 1.00 21.64 C ATOM 312 CZ PHE A 50 7.486 12.804 16.743 1.00 21.10 C ATOM 0 H PHE A 50 6.680 18.320 16.920 1.00 19.10 H new ATOM 0 HA PHE A 50 9.126 17.388 16.249 1.00 18.26 H new ATOM 0 HB2 PHE A 50 6.652 17.053 14.904 1.00 18.85 H new ATOM 0 HB3 PHE A 50 7.999 16.707 14.198 1.00 18.85 H new ATOM 0 HD1 PHE A 50 8.911 14.546 14.430 1.00 20.08 H new ATOM 0 HD2 PHE A 50 6.142 15.718 17.074 1.00 20.85 H new ATOM 0 HE1 PHE A 50 8.865 12.422 15.336 1.00 19.92 H new ATOM 0 HE2 PHE A 50 6.053 13.574 17.935 1.00 21.64 H new ATOM 0 HZ PHE A 50 7.494 11.956 17.124 1.00 21.10 H new ATOM 313 N CYS A 51 9.803 19.165 14.691 1.00 16.63 N ATOM 314 CA CYS A 51 10.243 20.250 13.884 1.00 16.53 C ATOM 315 C CYS A 51 11.211 19.749 12.806 1.00 18.05 C ATOM 316 O CYS A 51 11.828 18.723 12.958 1.00 19.17 O ATOM 317 CB CYS A 51 11.018 21.267 14.698 1.00 18.00 C ATOM 318 SG CYS A 51 10.044 22.177 15.914 1.00 18.99 S ATOM 0 H CYS A 51 10.425 18.597 14.866 1.00 16.63 H new ATOM 0 HA CYS A 51 9.447 20.650 13.501 1.00 16.53 H new ATOM 0 HB2 CYS A 51 11.739 20.810 15.158 1.00 18.00 H new ATOM 0 HB3 CYS A 51 11.427 21.903 14.090 1.00 18.00 H new ATOM 0 HG CYS A 51 9.304 22.934 15.349 1.00 18.99 H new ATOM 319 N TYR A 52 11.318 20.502 11.732 1.00 17.83 N ATOM 320 CA TYR A 52 12.210 20.196 10.619 1.00 19.49 C ATOM 321 C TYR A 52 13.078 21.427 10.358 1.00 20.70 C ATOM 322 O TYR A 52 12.757 22.509 10.820 1.00 21.09 O ATOM 323 CB TYR A 52 11.390 19.791 9.388 1.00 18.93 C ATOM 324 CG TYR A 52 10.555 20.899 8.787 1.00 18.18 C ATOM 325 CD1 TYR A 52 11.075 21.725 7.803 1.00 19.72 C ATOM 326 CD2 TYR A 52 9.264 21.174 9.235 1.00 18.88 C ATOM 327 CE1 TYR A 52 10.329 22.762 7.249 1.00 20.13 C ATOM 328 CE2 TYR A 52 8.507 22.210 8.693 1.00 18.88 C ATOM 329 CZ TYR A 52 9.050 23.032 7.724 1.00 20.29 C ATOM 330 OH TYR A 52 8.339 24.079 7.193 1.00 20.93 O ATOM 0 H TYR A 52 10.866 21.225 11.620 1.00 17.83 H new ATOM 0 HA TYR A 52 12.788 19.446 10.829 1.00 19.49 H new ATOM 0 HB2 TYR A 52 11.995 19.455 8.709 1.00 18.93 H new ATOM 0 HB3 TYR A 52 10.804 19.058 9.633 1.00 18.93 H new ATOM 0 HD1 TYR A 52 11.944 21.583 7.505 1.00 19.72 H new ATOM 0 HD2 TYR A 52 8.899 20.653 9.913 1.00 18.88 H new ATOM 0 HE1 TYR A 52 10.686 23.275 6.560 1.00 20.13 H new ATOM 0 HE2 TYR A 52 7.635 22.349 8.984 1.00 18.88 H new ATOM 0 HH TYR A 52 8.565 24.194 6.392 1.00 20.93 H new ATOM 331 N THR A 53 14.148 21.259 9.591 1.00 21.53 N ATOM 332 CA THR A 53 15.093 22.350 9.368 1.00 25.02 C ATOM 333 C THR A 53 15.348 22.649 7.877 1.00 27.87 C ATOM 334 O THR A 53 15.863 23.741 7.551 1.00 29.47 O ATOM 335 CB THR A 53 16.444 22.027 10.021 1.00 24.35 C ATOM 336 OG1 THR A 53 17.114 21.027 9.249 1.00 21.98 O ATOM 337 CG2 THR A 53 16.298 21.568 11.453 1.00 26.70 C ATOM 0 H THR A 53 14.346 20.524 9.191 1.00 21.53 H new ATOM 0 HA THR A 53 14.684 23.134 9.767 1.00 25.02 H new ATOM 0 HB THR A 53 16.968 22.843 10.039 1.00 24.35 H new ATOM 0 HG1 THR A 53 16.689 20.304 9.297 1.00 21.98 H new ATOM 0 HG21 THR A 53 17.174 21.376 11.822 1.00 26.70 H new ATOM 0 HG22 THR A 53 15.873 22.266 11.975 1.00 26.70 H new ATOM 0 HG23 THR A 53 15.753 20.766 11.482 1.00 26.70 H new ATOM 338 N SER A 54 15.101 21.685 6.986 1.00 32.09 N ATOM 339 CA SER A 54 15.846 21.617 5.663 1.00 32.33 C ATOM 340 C SER A 54 14.903 21.947 4.510 1.00 37.00 C ATOM 341 O SER A 54 14.009 21.123 4.206 1.00 35.86 O ATOM 342 CB SER A 54 16.447 20.252 5.448 1.00 31.98 C ATOM 343 OG SER A 54 17.101 20.148 4.175 1.00 35.46 O ATOM 0 H SER A 54 14.522 21.060 7.101 1.00 32.09 H new ATOM 0 HA SER A 54 16.564 22.269 5.691 1.00 32.33 H new ATOM 0 HB2 SER A 54 17.085 20.065 6.155 1.00 31.98 H new ATOM 0 HB3 SER A 54 15.751 19.579 5.509 1.00 31.98 H new ATOM 0 HG SER A 54 17.482 20.875 3.995 1.00 35.46 H new ATOM 344 N PHE A 55 15.149 23.097 3.852 1.00 36.59 N ATOM 345 CA PHE A 55 14.429 23.462 2.622 1.00 37.87 C ATOM 346 C PHE A 55 14.777 22.482 1.488 1.00 37.22 C ATOM 347 O PHE A 55 13.962 22.244 0.570 1.00 35.91 O ATOM 348 CB PHE A 55 14.734 24.889 2.217 1.00 39.07 C ATOM 0 H PHE A 55 15.731 23.677 4.106 1.00 36.59 H new ATOM 0 HA PHE A 55 13.477 23.403 2.797 1.00 37.87 H new ATOM 349 N ASN A 56 15.943 21.863 1.513 1.00 32.70 N ATOM 350 CA ASN A 56 16.314 21.106 0.279 1.00 34.41 C ATOM 351 C ASN A 56 16.037 19.601 0.455 1.00 29.99 C ATOM 352 O ASN A 56 16.416 18.840 -0.465 1.00 28.26 O ATOM 353 CB ASN A 56 17.745 21.418 -0.185 1.00 39.48 C ATOM 354 CG ASN A 56 18.824 20.967 0.779 1.00 48.29 C ATOM 355 OD1 ASN A 56 18.469 20.106 1.732 1.00 56.21 O flip ATOM 356 ND2 ASN A 56 19.982 21.389 0.646 1.00 46.35 N flip ATOM 0 H ASN A 56 16.506 21.852 2.163 1.00 32.70 H new ATOM 0 HA ASN A 56 15.743 21.409 -0.444 1.00 34.41 H new ATOM 0 HB2 ASN A 56 17.895 20.994 -1.044 1.00 39.48 H new ATOM 0 HB3 ASN A 56 17.828 22.375 -0.323 1.00 39.48 H new ATOM 0 HD21 ASN A 56 20.168 21.945 0.016 1.00 46.35 H new ATOM 0 HD22 ASN A 56 20.600 21.126 1.183 1.00 46.35 H new ATOM 357 N THR A 57 15.415 19.163 1.584 1.00 25.79 N ATOM 358 CA THR A 57 14.958 17.757 1.714 1.00 22.69 C ATOM 359 C THR A 57 13.506 17.731 1.242 1.00 21.25 C ATOM 360 O THR A 57 13.247 18.039 0.058 1.00 20.74 O ATOM 361 CB THR A 57 15.245 17.177 3.116 1.00 24.18 C ATOM 362 OG1 THR A 57 16.615 17.422 3.437 1.00 22.96 O ATOM 363 CG2 THR A 57 15.008 15.682 3.212 1.00 22.67 C ATOM 0 H THR A 57 15.254 19.657 2.269 1.00 25.79 H new ATOM 0 HA THR A 57 15.461 17.147 1.152 1.00 22.69 H new ATOM 0 HB THR A 57 14.633 17.612 3.731 1.00 24.18 H new ATOM 0 HG1 THR A 57 16.714 18.230 3.645 1.00 22.96 H new ATOM 0 HG21 THR A 57 15.205 15.380 4.113 1.00 22.67 H new ATOM 0 HG22 THR A 57 14.081 15.487 3.001 1.00 22.67 H new ATOM 0 HG23 THR A 57 15.586 15.222 2.584 1.00 22.67 H new ATOM 364 N ASN A 58 12.567 17.423 2.126 1.00 21.05 N ATOM 365 CA ASN A 58 11.153 17.368 1.771 1.00 19.62 C ATOM 366 C ASN A 58 10.384 18.142 2.840 1.00 18.06 C ATOM 367 O ASN A 58 9.612 17.559 3.585 1.00 17.99 O ATOM 368 CB ASN A 58 10.641 15.934 1.669 1.00 19.92 C ATOM 369 CG ASN A 58 11.212 15.224 0.461 1.00 22.68 C ATOM 370 OD1 ASN A 58 11.181 15.775 -0.656 1.00 20.28 O ATOM 371 ND2 ASN A 58 11.763 14.031 0.700 1.00 22.03 N ATOM 0 H ASN A 58 12.730 17.239 2.950 1.00 21.05 H new ATOM 0 HA ASN A 58 11.023 17.763 0.895 1.00 19.62 H new ATOM 0 HB2 ASN A 58 10.878 15.447 2.474 1.00 19.92 H new ATOM 0 HB3 ASN A 58 9.673 15.938 1.615 1.00 19.92 H new ATOM 0 HD21 ASN A 58 12.129 13.590 0.059 1.00 22.03 H new ATOM 0 HD22 ASN A 58 11.752 13.704 1.495 1.00 22.03 H new ATOM 372 N PRO A 59 10.598 19.442 2.891 1.00 16.92 N ATOM 373 CA PRO A 59 10.032 20.212 3.985 1.00 18.86 C ATOM 374 C PRO A 59 8.507 20.170 3.977 1.00 17.08 C ATOM 375 O PRO A 59 7.889 20.035 5.036 1.00 16.77 O ATOM 376 CB PRO A 59 10.517 21.651 3.786 1.00 19.21 C ATOM 377 CG PRO A 59 10.877 21.678 2.320 1.00 20.35 C ATOM 378 CD PRO A 59 11.455 20.305 2.067 1.00 20.12 C ATOM 0 HA PRO A 59 10.314 19.845 4.838 1.00 18.86 H new ATOM 0 HB2 PRO A 59 9.826 22.297 4.000 1.00 19.21 H new ATOM 0 HB3 PRO A 59 11.280 21.855 4.349 1.00 19.21 H new ATOM 0 HG2 PRO A 59 10.099 21.845 1.765 1.00 20.35 H new ATOM 0 HG3 PRO A 59 11.520 22.377 2.124 1.00 20.35 H new ATOM 0 HD2 PRO A 59 11.415 20.064 1.128 1.00 20.12 H new ATOM 0 HD3 PRO A 59 12.386 20.250 2.334 1.00 20.12 H new ATOM 379 N GLN A 60 7.904 20.190 2.802 1.00 17.70 N ATOM 380 CA GLN A 60 6.429 20.154 2.779 1.00 19.04 C ATOM 381 C GLN A 60 5.885 18.816 3.315 1.00 19.26 C ATOM 382 O GLN A 60 4.892 18.835 3.988 1.00 18.75 O ATOM 383 CB GLN A 60 5.888 20.418 1.371 1.00 20.08 C ATOM 384 CG GLN A 60 4.376 20.561 1.364 1.00 22.98 C ATOM 385 CD GLN A 60 3.873 21.105 0.040 1.00 22.53 C ATOM 386 OE1 GLN A 60 4.257 22.175 -0.399 1.00 25.79 O ATOM 387 NE2 GLN A 60 3.021 20.349 -0.605 1.00 23.43 N ATOM 0 H GLN A 60 8.294 20.223 2.036 1.00 17.70 H new ATOM 0 HA GLN A 60 6.120 20.862 3.365 1.00 19.04 H new ATOM 0 HB2 GLN A 60 6.291 21.226 1.016 1.00 20.08 H new ATOM 0 HB3 GLN A 60 6.147 19.691 0.784 1.00 20.08 H new ATOM 0 HG2 GLN A 60 3.968 19.698 1.536 1.00 22.98 H new ATOM 0 HG3 GLN A 60 4.103 21.153 2.083 1.00 22.98 H new ATOM 0 HE21 GLN A 60 2.770 19.599 -0.267 1.00 23.43 H new ATOM 0 HE22 GLN A 60 2.712 20.602 -1.367 1.00 23.43 H new ATOM 388 N GLN A 61 6.553 17.686 3.109 1.00 20.26 N ATOM 389 CA GLN A 61 6.183 16.423 3.759 1.00 23.16 C ATOM 390 C GLN A 61 6.199 16.534 5.292 1.00 21.91 C ATOM 391 O GLN A 61 5.324 16.019 5.971 1.00 22.93 O ATOM 392 CB GLN A 61 7.190 15.308 3.510 1.00 27.00 C ATOM 393 CG GLN A 61 7.064 14.580 2.197 1.00 31.35 C ATOM 394 CD GLN A 61 7.797 13.272 2.363 1.00 34.05 C ATOM 395 OE1 GLN A 61 8.954 13.236 2.757 1.00 26.08 O ATOM 396 NE2 GLN A 61 7.087 12.172 2.174 1.00 36.45 N ATOM 0 H GLN A 61 7.235 17.625 2.589 1.00 20.26 H new ATOM 0 HA GLN A 61 5.307 16.233 3.388 1.00 23.16 H new ATOM 0 HB2 GLN A 61 8.082 15.685 3.566 1.00 27.00 H new ATOM 0 HB3 GLN A 61 7.111 14.660 4.227 1.00 27.00 H new ATOM 0 HG2 GLN A 61 6.132 14.428 1.974 1.00 31.35 H new ATOM 0 HG3 GLN A 61 7.447 15.102 1.474 1.00 31.35 H new ATOM 0 HE21 GLN A 61 6.275 12.227 1.896 1.00 36.45 H new ATOM 0 HE22 GLN A 61 7.437 11.402 2.329 1.00 36.45 H new ATOM 397 N MET A 62 7.213 17.203 5.826 1.00 20.08 N ATOM 398 CA MET A 62 7.293 17.388 7.276 1.00 19.20 C ATOM 399 C MET A 62 6.146 18.286 7.737 1.00 18.88 C ATOM 400 O MET A 62 5.457 17.994 8.746 1.00 20.95 O ATOM 401 CB MET A 62 8.628 18.017 7.671 1.00 19.27 C ATOM 402 CG MET A 62 9.821 17.117 7.380 1.00 19.37 C ATOM 403 SD MET A 62 9.772 15.567 8.266 1.00 22.37 S ATOM 404 CE MET A 62 9.658 16.038 9.982 1.00 20.44 C ATOM 0 H MET A 62 7.857 17.554 5.378 1.00 20.08 H new ATOM 0 HA MET A 62 7.225 16.520 7.704 1.00 19.20 H new ATOM 0 HB2 MET A 62 8.738 18.855 7.195 1.00 19.27 H new ATOM 0 HB3 MET A 62 8.612 18.228 8.618 1.00 19.27 H new ATOM 0 HG2 MET A 62 9.857 16.937 6.428 1.00 19.37 H new ATOM 0 HG3 MET A 62 10.637 17.588 7.610 1.00 19.37 H new ATOM 0 HE1 MET A 62 9.863 15.273 10.542 1.00 20.44 H new ATOM 0 HE2 MET A 62 10.290 16.751 10.165 1.00 20.44 H new ATOM 0 HE3 MET A 62 8.759 16.347 10.174 1.00 20.44 H new ATOM 405 N MET A 63 5.889 19.353 6.993 1.00 18.39 N ATOM 406 CA MET A 63 4.753 20.220 7.326 1.00 18.93 C ATOM 407 C MET A 63 3.448 19.409 7.370 1.00 19.67 C ATOM 408 O MET A 63 2.596 19.662 8.248 1.00 20.16 O ATOM 409 CB MET A 63 4.583 21.360 6.324 1.00 19.59 C ATOM 410 CG MET A 63 5.740 22.345 6.305 1.00 23.00 C ATOM 411 SD MET A 63 5.584 23.480 4.895 1.00 27.69 S ATOM 412 CE MET A 63 4.349 24.584 5.559 1.00 28.78 C ATOM 0 H MET A 63 6.345 19.594 6.305 1.00 18.39 H new ATOM 0 HA MET A 63 4.943 20.600 8.198 1.00 18.93 H new ATOM 0 HB2 MET A 63 4.476 20.984 5.436 1.00 19.59 H new ATOM 0 HB3 MET A 63 3.765 21.840 6.530 1.00 19.59 H new ATOM 0 HG2 MET A 63 5.756 22.849 7.133 1.00 23.00 H new ATOM 0 HG3 MET A 63 6.581 21.864 6.249 1.00 23.00 H new ATOM 0 HE1 MET A 63 3.517 24.467 5.075 1.00 28.78 H new ATOM 0 HE2 MET A 63 4.207 24.384 6.498 1.00 28.78 H new ATOM 0 HE3 MET A 63 4.651 25.501 5.466 1.00 28.78 H new ATOM 413 N ALA A 64 3.290 18.524 6.415 1.00 19.54 N ATOM 414 CA ALA A 64 2.053 17.789 6.200 1.00 22.42 C ATOM 415 C ALA A 64 1.764 16.853 7.375 1.00 22.50 C ATOM 416 O ALA A 64 0.594 16.521 7.617 1.00 21.68 O ATOM 417 CB ALA A 64 2.122 17.050 4.888 1.00 21.37 C ATOM 0 H ALA A 64 3.911 18.323 5.855 1.00 19.54 H new ATOM 0 HA ALA A 64 1.313 18.414 6.152 1.00 22.42 H new ATOM 0 HB1 ALA A 64 1.296 16.561 4.748 1.00 21.37 H new ATOM 0 HB2 ALA A 64 2.248 17.684 4.165 1.00 21.37 H new ATOM 0 HB3 ALA A 64 2.866 16.428 4.905 1.00 21.37 H new ATOM 418 N MET A 65 2.803 16.459 8.121 1.00 20.55 N ATOM 419 CA MET A 65 2.623 15.623 9.263 1.00 21.35 C ATOM 420 C MET A 65 2.567 16.459 10.543 1.00 21.64 C ATOM 421 O MET A 65 2.524 15.878 11.645 1.00 20.96 O ATOM 422 CB MET A 65 3.712 14.552 9.373 1.00 22.92 C ATOM 423 CG MET A 65 5.098 15.095 9.666 1.00 26.03 C ATOM 424 SD MET A 65 6.150 13.817 10.378 1.00 30.56 S ATOM 425 CE MET A 65 5.458 13.581 12.016 1.00 27.99 C ATOM 0 H MET A 65 3.620 16.678 7.964 1.00 20.55 H new ATOM 0 HA MET A 65 1.776 15.165 9.149 1.00 21.35 H new ATOM 0 HB2 MET A 65 3.467 13.928 10.073 1.00 22.92 H new ATOM 0 HB3 MET A 65 3.742 14.050 8.543 1.00 22.92 H new ATOM 0 HG2 MET A 65 5.498 15.430 8.848 1.00 26.03 H new ATOM 0 HG3 MET A 65 5.033 15.845 10.278 1.00 26.03 H new ATOM 0 HE1 MET A 65 6.150 13.716 12.682 1.00 27.99 H new ATOM 0 HE2 MET A 65 4.742 14.220 12.160 1.00 27.99 H new ATOM 0 HE3 MET A 65 5.107 12.680 12.092 1.00 27.99 H new ATOM 426 N GLY A 66 2.522 17.785 10.430 1.00 21.44 N ATOM 427 CA GLY A 66 2.333 18.633 11.613 1.00 21.58 C ATOM 428 C GLY A 66 3.617 19.218 12.179 1.00 19.71 C ATOM 429 O GLY A 66 3.546 19.966 13.158 1.00 20.99 O ATOM 0 H GLY A 66 2.598 18.212 9.688 1.00 21.44 H new ATOM 0 HA2 GLY A 66 1.733 19.360 11.384 1.00 21.58 H new ATOM 0 HA3 GLY A 66 1.896 18.112 12.304 1.00 21.58 H new ATOM 430 N ALA A 67 4.777 18.982 11.570 1.00 19.06 N ATOM 431 CA ALA A 67 5.999 19.598 12.087 1.00 18.73 C ATOM 432 C ALA A 67 6.089 21.065 11.697 1.00 18.05 C ATOM 433 O ALA A 67 5.553 21.444 10.688 1.00 19.30 O ATOM 434 CB ALA A 67 7.219 18.851 11.589 1.00 19.26 C ATOM 0 H ALA A 67 4.879 18.484 10.877 1.00 19.06 H new ATOM 0 HA ALA A 67 5.969 19.546 13.055 1.00 18.73 H new ATOM 0 HB1 ALA A 67 8.021 19.270 11.939 1.00 19.26 H new ATOM 0 HB2 ALA A 67 7.179 17.929 11.889 1.00 19.26 H new ATOM 0 HB3 ALA A 67 7.240 18.875 10.620 1.00 19.26 H new ATOM 435 N THR A 68 6.815 21.874 12.467 1.00 18.25 N ATOM 436 CA THR A 68 7.047 23.254 12.093 1.00 19.35 C ATOM 437 C THR A 68 8.544 23.468 11.902 1.00 21.25 C ATOM 438 O THR A 68 9.358 22.694 12.406 1.00 18.49 O ATOM 439 CB THR A 68 6.486 24.207 13.144 1.00 22.16 C ATOM 440 OG1 THR A 68 7.169 24.014 14.397 1.00 20.10 O ATOM 441 CG2 THR A 68 5.003 23.991 13.315 1.00 21.72 C ATOM 0 H THR A 68 7.179 21.637 13.209 1.00 18.25 H new ATOM 0 HA THR A 68 6.587 23.444 11.261 1.00 19.35 H new ATOM 0 HB THR A 68 6.629 25.119 12.846 1.00 22.16 H new ATOM 0 HG1 THR A 68 6.847 23.346 14.792 1.00 20.10 H new ATOM 0 HG21 THR A 68 4.662 24.603 13.985 1.00 21.72 H new ATOM 0 HG22 THR A 68 4.553 24.153 12.471 1.00 21.72 H new ATOM 0 HG23 THR A 68 4.839 23.078 13.599 1.00 21.72 H new ATOM 442 N LYS A 69 8.877 24.566 11.240 1.00 19.43 N ATOM 443 CA LYS A 69 10.258 24.817 10.872 1.00 20.58 C ATOM 444 C LYS A 69 11.018 25.405 12.071 1.00 21.26 C ATOM 445 O LYS A 69 10.490 26.197 12.820 1.00 23.13 O ATOM 446 CB LYS A 69 10.347 25.758 9.668 1.00 24.30 C ATOM 447 CG LYS A 69 11.688 25.651 8.938 1.00 30.62 C ATOM 448 CD LYS A 69 11.842 26.508 7.695 1.00 36.09 C ATOM 449 CE LYS A 69 13.205 26.328 7.061 1.00 38.14 C ATOM 450 NZ LYS A 69 13.265 26.945 5.720 1.00 41.51 N ATOM 0 H LYS A 69 8.321 25.175 10.996 1.00 19.43 H new ATOM 0 HA LYS A 69 10.666 23.974 10.619 1.00 20.58 H new ATOM 0 HB2 LYS A 69 9.628 25.555 9.049 1.00 24.30 H new ATOM 0 HB3 LYS A 69 10.216 26.672 9.965 1.00 24.30 H new ATOM 0 HG2 LYS A 69 12.394 25.886 9.560 1.00 30.62 H new ATOM 0 HG3 LYS A 69 11.827 24.724 8.689 1.00 30.62 H new ATOM 0 HD2 LYS A 69 11.152 26.276 7.053 1.00 36.09 H new ATOM 0 HD3 LYS A 69 11.712 27.441 7.926 1.00 36.09 H new ATOM 0 HE2 LYS A 69 13.883 26.724 7.631 1.00 38.14 H new ATOM 0 HE3 LYS A 69 13.409 25.382 6.993 1.00 38.14 H new ATOM 0 HZ1 LYS A 69 14.076 26.824 5.373 1.00 41.51 H new ATOM 0 HZ2 LYS A 69 12.657 26.567 5.192 1.00 41.51 H new ATOM 0 HZ3 LYS A 69 13.099 27.817 5.786 1.00 41.51 H new ATOM 451 N ILE A 70 12.240 24.960 12.262 1.00 19.17 N ATOM 452 CA ILE A 70 13.103 25.473 13.316 1.00 19.53 C ATOM 453 C ILE A 70 14.458 25.735 12.679 1.00 20.22 C ATOM 454 O ILE A 70 14.852 25.083 11.705 1.00 17.79 O ATOM 455 CB ILE A 70 13.189 24.500 14.506 1.00 21.98 C ATOM 456 CG1 ILE A 70 13.733 25.140 15.780 1.00 23.75 C ATOM 457 CG2 ILE A 70 13.985 23.265 14.161 1.00 22.42 C ATOM 458 CD1 ILE A 70 13.597 24.243 17.005 1.00 23.92 C ATOM 0 H ILE A 70 12.602 24.345 11.782 1.00 19.17 H new ATOM 0 HA ILE A 70 12.745 26.293 13.690 1.00 19.53 H new ATOM 0 HB ILE A 70 12.272 24.242 14.691 1.00 21.98 H new ATOM 0 HG12 ILE A 70 14.668 25.361 15.650 1.00 23.75 H new ATOM 0 HG13 ILE A 70 13.264 25.973 15.942 1.00 23.75 H new ATOM 0 HG21 ILE A 70 14.019 22.676 14.931 1.00 22.42 H new ATOM 0 HG22 ILE A 70 13.562 22.804 13.420 1.00 22.42 H new ATOM 0 HG23 ILE A 70 14.887 23.520 13.910 1.00 22.42 H new ATOM 0 HD11 ILE A 70 13.957 24.699 17.782 1.00 23.92 H new ATOM 0 HD12 ILE A 70 12.660 24.040 17.155 1.00 23.92 H new ATOM 0 HD13 ILE A 70 14.087 23.419 16.859 1.00 23.92 H new ATOM 459 N ASN A 71 15.132 26.730 13.205 1.00 18.28 N ATOM 460 CA ASN A 71 16.445 27.082 12.742 1.00 19.88 C ATOM 461 C ASN A 71 17.413 26.993 13.948 1.00 20.75 C ATOM 462 O ASN A 71 17.439 27.847 14.854 1.00 19.78 O ATOM 463 CB ASN A 71 16.437 28.462 12.095 1.00 21.79 C ATOM 464 CG ASN A 71 17.812 28.905 11.637 1.00 22.83 C ATOM 465 OD1 ASN A 71 18.761 28.124 11.630 1.00 24.97 O ATOM 466 ND2 ASN A 71 17.930 30.172 11.299 1.00 23.83 N ATOM 0 H ASN A 71 14.838 27.223 13.845 1.00 18.28 H new ATOM 0 HA ASN A 71 16.745 26.468 12.053 1.00 19.88 H new ATOM 0 HB2 ASN A 71 15.835 28.455 11.335 1.00 21.79 H new ATOM 0 HB3 ASN A 71 16.088 29.109 12.728 1.00 21.79 H new ATOM 0 HD21 ASN A 71 18.695 30.484 11.061 1.00 23.83 H new ATOM 0 HD22 ASN A 71 17.242 30.688 11.317 1.00 23.83 H new ATOM 467 N ILE A 72 18.251 25.981 13.936 1.00 19.42 N ATOM 468 CA ILE A 72 19.170 25.718 15.042 1.00 21.02 C ATOM 469 C ILE A 72 20.354 26.699 14.999 1.00 19.88 C ATOM 470 O ILE A 72 21.065 26.869 16.020 1.00 21.41 O ATOM 471 CB ILE A 72 19.607 24.239 15.010 1.00 23.04 C ATOM 472 CG1 ILE A 72 18.400 23.295 15.015 1.00 22.91 C ATOM 473 CG2 ILE A 72 20.583 23.918 16.132 1.00 22.98 C ATOM 474 CD1 ILE A 72 17.497 23.467 16.187 1.00 23.86 C ATOM 0 H ILE A 72 18.311 25.419 13.288 1.00 19.42 H new ATOM 0 HA ILE A 72 18.723 25.867 15.890 1.00 21.02 H new ATOM 0 HB ILE A 72 20.078 24.094 14.175 1.00 23.04 H new ATOM 0 HG12 ILE A 72 17.889 23.435 14.202 1.00 22.91 H new ATOM 0 HG13 ILE A 72 18.718 22.379 14.996 1.00 22.91 H new ATOM 0 HG21 ILE A 72 20.837 22.983 16.083 1.00 22.98 H new ATOM 0 HG22 ILE A 72 21.374 24.472 16.042 1.00 22.98 H new ATOM 0 HG23 ILE A 72 20.162 24.094 16.988 1.00 22.98 H new ATOM 0 HD11 ILE A 72 16.760 22.840 16.123 1.00 23.86 H new ATOM 0 HD12 ILE A 72 17.992 23.301 17.004 1.00 23.86 H new ATOM 0 HD13 ILE A 72 17.150 24.373 16.198 1.00 23.86 H new ATOM 475 N LYS A 73 20.558 27.399 13.898 1.00 21.51 N ATOM 476 CA LYS A 73 21.559 28.456 13.837 1.00 25.82 C ATOM 477 C LYS A 73 21.023 29.777 14.398 1.00 25.12 C ATOM 478 O LYS A 73 21.796 30.729 14.469 1.00 24.89 O ATOM 479 CB LYS A 73 22.010 28.748 12.402 1.00 30.53 C ATOM 480 CG LYS A 73 22.705 27.597 11.693 1.00 35.84 C ATOM 481 CD LYS A 73 23.289 28.008 10.350 1.00 41.45 C ATOM 482 CE LYS A 73 22.954 27.019 9.245 1.00 50.02 C ATOM 483 NZ LYS A 73 23.850 27.157 8.063 1.00 52.40 N ATOM 0 H LYS A 73 20.124 27.278 13.165 1.00 21.51 H new ATOM 0 HA LYS A 73 22.303 28.128 14.366 1.00 25.82 H new ATOM 0 HB2 LYS A 73 21.234 29.008 11.881 1.00 30.53 H new ATOM 0 HB3 LYS A 73 22.610 29.510 12.416 1.00 30.53 H new ATOM 0 HG2 LYS A 73 23.414 27.253 12.259 1.00 35.84 H new ATOM 0 HG3 LYS A 73 22.072 26.874 11.560 1.00 35.84 H new ATOM 0 HD2 LYS A 73 22.952 28.885 10.109 1.00 41.45 H new ATOM 0 HD3 LYS A 73 24.253 28.086 10.429 1.00 41.45 H new ATOM 0 HE2 LYS A 73 23.020 26.116 9.593 1.00 50.02 H new ATOM 0 HE3 LYS A 73 22.034 27.150 8.966 1.00 50.02 H new ATOM 0 HZ1 LYS A 73 23.619 26.561 7.444 1.00 52.40 H new ATOM 0 HZ2 LYS A 73 23.775 27.978 7.727 1.00 52.40 H new ATOM 0 HZ3 LYS A 73 24.693 27.015 8.311 1.00 52.40 H new ATOM 484 N ASP A 74 19.734 29.845 14.759 1.00 23.25 N ATOM 485 CA ASP A 74 19.157 30.967 15.523 1.00 21.84 C ATOM 486 C ASP A 74 19.537 30.791 17.007 1.00 21.22 C ATOM 487 O ASP A 74 19.075 29.893 17.694 1.00 19.55 O ATOM 488 CB ASP A 74 17.649 31.047 15.264 1.00 20.26 C ATOM 489 CG ASP A 74 16.945 32.231 15.916 1.00 20.60 C ATOM 490 OD1 ASP A 74 17.403 32.662 16.972 1.00 21.34 O ATOM 491 OD2 ASP A 74 15.956 32.720 15.332 1.00 18.61 O ATOM 0 H ASP A 74 19.162 29.233 14.565 1.00 23.25 H new ATOM 0 HA ASP A 74 19.517 31.821 15.237 1.00 21.84 H new ATOM 0 HB2 ASP A 74 17.501 31.087 14.306 1.00 20.26 H new ATOM 0 HB3 ASP A 74 17.236 30.228 15.581 1.00 20.26 H new ATOM 492 N GLU A 75 20.399 31.656 17.532 1.00 21.50 N ATOM 493 CA GLU A 75 20.945 31.466 18.860 1.00 21.31 C ATOM 494 C GLU A 75 19.832 31.585 19.902 1.00 19.78 C ATOM 495 O GLU A 75 19.908 30.967 20.984 1.00 20.94 O ATOM 496 CB GLU A 75 22.075 32.459 19.166 1.00 22.62 C ATOM 497 CG GLU A 75 23.316 32.194 18.351 1.00 24.24 C ATOM 498 CD GLU A 75 24.541 32.934 18.845 1.00 27.93 C ATOM 499 OE1 GLU A 75 24.636 33.200 20.056 1.00 26.76 O ATOM 500 OE2 GLU A 75 25.379 33.237 18.010 1.00 32.22 O ATOM 0 H GLU A 75 20.679 32.362 17.129 1.00 21.50 H new ATOM 0 HA GLU A 75 21.328 30.576 18.898 1.00 21.31 H new ATOM 0 HB2 GLU A 75 21.764 33.361 18.992 1.00 22.62 H new ATOM 0 HB3 GLU A 75 22.296 32.412 20.109 1.00 22.62 H new ATOM 0 HG2 GLU A 75 23.500 31.242 18.357 1.00 24.24 H new ATOM 0 HG3 GLU A 75 23.147 32.444 17.429 1.00 24.24 H new ATOM 501 N PHE A 76 18.804 32.331 19.576 1.00 20.64 N ATOM 502 CA PHE A 76 17.663 32.461 20.480 1.00 20.06 C ATOM 503 C PHE A 76 16.854 31.164 20.514 1.00 19.91 C ATOM 504 O PHE A 76 16.403 30.724 21.577 1.00 21.29 O ATOM 505 CB PHE A 76 16.785 33.631 20.047 1.00 20.85 C ATOM 506 CG PHE A 76 15.527 33.787 20.855 1.00 18.70 C ATOM 507 CD1 PHE A 76 15.575 34.269 22.154 1.00 19.69 C ATOM 508 CD2 PHE A 76 14.296 33.451 20.330 1.00 20.13 C ATOM 509 CE1 PHE A 76 14.424 34.420 22.903 1.00 20.63 C ATOM 510 CE2 PHE A 76 13.150 33.606 21.075 1.00 20.32 C ATOM 511 CZ PHE A 76 13.204 34.114 22.353 1.00 22.15 C ATOM 0 H PHE A 76 18.737 32.773 18.841 1.00 20.64 H new ATOM 0 HA PHE A 76 17.993 32.634 21.376 1.00 20.06 H new ATOM 0 HB2 PHE A 76 17.301 34.450 20.109 1.00 20.85 H new ATOM 0 HB3 PHE A 76 16.546 33.516 19.114 1.00 20.85 H new ATOM 0 HD1 PHE A 76 16.396 34.495 22.528 1.00 19.69 H new ATOM 0 HD2 PHE A 76 14.241 33.116 19.464 1.00 20.13 H new ATOM 0 HE1 PHE A 76 14.476 34.729 23.779 1.00 20.63 H new ATOM 0 HE2 PHE A 76 12.329 33.365 20.711 1.00 20.32 H new ATOM 0 HZ PHE A 76 12.422 34.249 22.839 1.00 22.15 H new ATOM 512 N THR A 77 16.683 30.551 19.346 1.00 21.19 N ATOM 513 CA THR A 77 15.985 29.278 19.266 1.00 20.95 C ATOM 514 C THR A 77 16.665 28.271 20.200 1.00 19.34 C ATOM 515 O THR A 77 16.013 27.560 20.934 1.00 20.16 O ATOM 516 CB THR A 77 15.931 28.778 17.821 1.00 20.27 C ATOM 517 OG1 THR A 77 15.121 29.667 17.059 1.00 19.69 O ATOM 518 CG2 THR A 77 15.422 27.355 17.748 1.00 20.54 C ATOM 0 H THR A 77 16.963 30.856 18.592 1.00 21.19 H new ATOM 0 HA THR A 77 15.066 29.390 19.556 1.00 20.95 H new ATOM 0 HB THR A 77 16.827 28.767 17.449 1.00 20.27 H new ATOM 0 HG1 THR A 77 14.475 29.929 17.528 1.00 19.69 H new ATOM 0 HG21 THR A 77 15.399 27.066 16.822 1.00 20.54 H new ATOM 0 HG22 THR A 77 16.012 26.774 18.253 1.00 20.54 H new ATOM 0 HG23 THR A 77 14.528 27.311 18.122 1.00 20.54 H new ATOM 519 N VAL A 78 17.982 28.232 20.162 1.00 19.79 N ATOM 520 CA VAL A 78 18.729 27.276 20.995 1.00 21.18 C ATOM 521 C VAL A 78 18.481 27.555 22.482 1.00 21.20 C ATOM 522 O VAL A 78 18.254 26.614 23.263 1.00 21.50 O ATOM 523 CB VAL A 78 20.223 27.296 20.645 1.00 20.69 C ATOM 524 CG1 VAL A 78 21.034 26.601 21.734 1.00 20.24 C ATOM 525 CG2 VAL A 78 20.487 26.675 19.265 1.00 19.06 C ATOM 0 H VAL A 78 18.470 28.741 19.669 1.00 19.79 H new ATOM 0 HA VAL A 78 18.406 26.380 20.809 1.00 21.18 H new ATOM 0 HB VAL A 78 20.509 28.222 20.599 1.00 20.69 H new ATOM 0 HG11 VAL A 78 21.975 26.621 21.500 1.00 20.24 H new ATOM 0 HG12 VAL A 78 20.902 27.059 22.579 1.00 20.24 H new ATOM 0 HG13 VAL A 78 20.742 25.680 21.817 1.00 20.24 H new ATOM 0 HG21 VAL A 78 21.438 26.703 19.074 1.00 19.06 H new ATOM 0 HG22 VAL A 78 20.184 25.754 19.261 1.00 19.06 H new ATOM 0 HG23 VAL A 78 20.007 27.176 18.587 1.00 19.06 H new ATOM 526 N GLU A 79 18.406 28.827 22.872 1.00 21.54 N ATOM 527 CA GLU A 79 18.182 29.148 24.299 1.00 22.82 C ATOM 528 C GLU A 79 16.773 28.704 24.708 1.00 22.57 C ATOM 529 O GLU A 79 16.590 28.130 25.794 1.00 23.79 O ATOM 530 CB GLU A 79 18.461 30.634 24.570 1.00 22.95 C ATOM 531 CG GLU A 79 19.937 30.945 24.412 1.00 25.24 C ATOM 532 CD GLU A 79 20.874 30.036 25.202 1.00 27.56 C ATOM 533 OE1 GLU A 79 20.617 29.879 26.409 1.00 28.06 O ATOM 534 OE2 GLU A 79 21.858 29.480 24.622 1.00 29.23 O ATOM 0 H GLU A 79 18.479 29.507 22.350 1.00 21.54 H new ATOM 0 HA GLU A 79 18.807 28.657 24.855 1.00 22.82 H new ATOM 0 HB2 GLU A 79 17.944 31.181 23.958 1.00 22.95 H new ATOM 0 HB3 GLU A 79 18.173 30.863 25.467 1.00 22.95 H new ATOM 0 HG2 GLU A 79 20.168 30.886 23.472 1.00 25.24 H new ATOM 0 HG3 GLU A 79 20.092 31.863 24.685 1.00 25.24 H new ATOM 535 N ARG A 80 15.818 28.871 23.804 1.00 21.05 N ATOM 536 CA ARG A 80 14.456 28.460 24.039 1.00 22.49 C ATOM 537 C ARG A 80 14.400 26.940 24.191 1.00 24.08 C ATOM 538 O ARG A 80 13.738 26.414 25.083 1.00 24.66 O ATOM 539 CB ARG A 80 13.541 28.857 22.883 1.00 23.30 C ATOM 540 CG ARG A 80 13.211 30.341 22.816 1.00 25.10 C ATOM 541 CD ARG A 80 12.016 30.655 21.917 1.00 24.54 C ATOM 542 NE ARG A 80 10.857 29.830 22.226 1.00 27.17 N ATOM 543 CZ ARG A 80 9.974 29.388 21.327 1.00 27.34 C ATOM 544 NH1 ARG A 80 9.999 29.817 20.072 1.00 29.79 N ATOM 545 NH2 ARG A 80 9.060 28.511 21.687 1.00 29.59 N ATOM 0 H ARG A 80 15.949 29.229 23.033 1.00 21.05 H new ATOM 0 HA ARG A 80 14.152 28.902 24.847 1.00 22.49 H new ATOM 0 HB2 ARG A 80 13.960 28.593 22.049 1.00 23.30 H new ATOM 0 HB3 ARG A 80 12.713 28.357 22.955 1.00 23.30 H new ATOM 0 HG2 ARG A 80 13.028 30.666 23.711 1.00 25.10 H new ATOM 0 HG3 ARG A 80 13.987 30.824 22.492 1.00 25.10 H new ATOM 0 HD2 ARG A 80 11.779 31.591 22.014 1.00 24.54 H new ATOM 0 HD3 ARG A 80 12.268 30.520 20.990 1.00 24.54 H new ATOM 0 HE ARG A 80 10.732 29.611 23.048 1.00 27.17 H new ATOM 0 HH11 ARG A 80 10.591 30.390 19.825 1.00 29.79 H new ATOM 0 HH12 ARG A 80 9.423 29.522 19.505 1.00 29.79 H new ATOM 0 HH21 ARG A 80 9.034 28.226 22.498 1.00 29.59 H new ATOM 0 HH22 ARG A 80 8.489 28.224 21.111 1.00 29.59 H new ATOM 546 N ILE A 81 15.110 26.242 23.312 1.00 21.42 N ATOM 547 CA ILE A 81 15.075 24.773 23.402 1.00 22.74 C ATOM 548 C ILE A 81 15.583 24.338 24.775 1.00 22.68 C ATOM 549 O ILE A 81 15.000 23.473 25.389 1.00 24.67 O ATOM 550 CB ILE A 81 15.926 24.122 22.310 1.00 19.95 C ATOM 551 CG1 ILE A 81 15.393 24.473 20.917 1.00 20.68 C ATOM 552 CG2 ILE A 81 16.005 22.612 22.562 1.00 18.02 C ATOM 553 CD1 ILE A 81 16.235 23.993 19.823 1.00 19.96 C ATOM 0 H ILE A 81 15.597 26.571 22.684 1.00 21.42 H new ATOM 0 HA ILE A 81 14.157 24.484 23.277 1.00 22.74 H new ATOM 0 HB ILE A 81 16.830 24.472 22.343 1.00 19.95 H new ATOM 0 HG12 ILE A 81 14.504 24.099 20.817 1.00 20.68 H new ATOM 0 HG13 ILE A 81 15.305 25.436 20.847 1.00 20.68 H new ATOM 0 HG21 ILE A 81 16.544 22.196 21.871 1.00 18.02 H new ATOM 0 HG22 ILE A 81 16.409 22.449 23.429 1.00 18.02 H new ATOM 0 HG23 ILE A 81 15.112 22.234 22.546 1.00 18.02 H new ATOM 0 HD11 ILE A 81 15.840 24.249 18.975 1.00 19.96 H new ATOM 0 HD12 ILE A 81 17.119 24.385 19.899 1.00 19.96 H new ATOM 0 HD13 ILE A 81 16.305 23.027 19.868 1.00 19.96 H new ATOM 554 N ILE A 82 16.722 24.886 25.187 1.00 27.31 N ATOM 555 CA ILE A 82 17.323 24.545 26.469 1.00 27.66 C ATOM 556 C ILE A 82 16.352 24.863 27.609 1.00 30.30 C ATOM 557 O ILE A 82 16.288 24.087 28.570 1.00 31.84 O ATOM 558 CB ILE A 82 18.668 25.267 26.660 1.00 30.59 C ATOM 559 CG1 ILE A 82 19.747 24.739 25.709 1.00 31.57 C ATOM 560 CG2 ILE A 82 19.103 25.176 28.118 1.00 31.05 C ATOM 561 CD1 ILE A 82 20.926 25.693 25.511 1.00 32.59 C ATOM 0 H ILE A 82 17.166 25.465 24.731 1.00 27.31 H new ATOM 0 HA ILE A 82 17.504 23.592 26.481 1.00 27.66 H new ATOM 0 HB ILE A 82 18.545 26.202 26.433 1.00 30.59 H new ATOM 0 HG12 ILE A 82 20.081 23.895 26.051 1.00 31.57 H new ATOM 0 HG13 ILE A 82 19.343 24.556 24.846 1.00 31.57 H new ATOM 0 HG21 ILE A 82 19.951 25.633 28.232 1.00 31.05 H new ATOM 0 HG22 ILE A 82 18.433 25.593 28.682 1.00 31.05 H new ATOM 0 HG23 ILE A 82 19.202 24.244 28.369 1.00 31.05 H new ATOM 0 HD11 ILE A 82 21.566 25.295 24.900 1.00 32.59 H new ATOM 0 HD12 ILE A 82 20.606 26.531 25.142 1.00 32.59 H new ATOM 0 HD13 ILE A 82 21.355 25.859 26.365 1.00 32.59 H new ATOM 562 N ASN A 83 15.592 25.956 27.515 1.00 30.86 N ATOM 563 CA AASN A 83 14.729 26.329 28.643 0.50 30.85 C ATOM 564 CA BASN A 83 14.678 26.404 28.588 0.50 31.61 C ATOM 565 C ASN A 83 13.381 25.595 28.537 1.00 33.10 C ATOM 566 O ASN A 83 12.686 25.464 29.553 1.00 32.86 O ATOM 567 CB AASN A 83 14.576 27.851 28.762 0.50 30.44 C ATOM 568 CB BASN A 83 14.310 27.894 28.485 0.50 32.14 C ATOM 569 CG AASN A 83 15.876 28.569 29.068 0.50 29.87 C ATOM 570 CG BASN A 83 13.437 28.374 29.632 0.50 32.01 C ATOM 571 OD1AASN A 83 16.646 28.153 29.934 0.50 29.47 O ATOM 572 OD1BASN A 83 13.791 28.187 30.790 0.50 34.78 O ATOM 573 ND2AASN A 83 16.126 29.664 28.369 0.50 29.69 N ATOM 574 ND2BASN A 83 12.290 28.967 29.333 0.50 29.85 N ATOM 0 H AASN A 83 15.559 26.480 26.834 0.50 30.86 H new ATOM 0 H BASN A 83 15.588 26.467 26.823 0.50 30.86 H new ATOM 0 HA AASN A 83 15.151 26.045 29.469 0.50 31.61 H new ATOM 0 HA BASN A 83 15.152 26.266 29.423 0.50 31.61 H new ATOM 0 HB2AASN A 83 14.211 28.198 27.933 0.50 32.14 H new ATOM 0 HB2BASN A 83 15.124 28.422 28.463 0.50 32.14 H new ATOM 0 HB3AASN A 83 13.933 28.050 29.460 0.50 32.14 H new ATOM 0 HB3BASN A 83 13.848 28.050 27.647 0.50 32.14 H new ATOM 0 HD21AASN A 83 16.847 30.111 28.513 0.50 29.85 H new ATOM 0 HD21BASN A 83 11.767 29.234 29.962 0.50 29.85 H new ATOM 0 HD22AASN A 83 15.568 29.929 27.771 0.50 29.85 H new ATOM 0 HD22BASN A 83 12.068 29.084 28.510 0.50 29.85 H new ATOM 575 N GLU A 84 13.019 25.077 27.355 1.00 28.59 N ATOM 576 CA GLU A 84 11.666 24.557 27.178 1.00 26.34 C ATOM 577 C GLU A 84 11.608 23.033 27.047 1.00 28.72 C ATOM 578 O GLU A 84 10.500 22.501 27.125 1.00 30.14 O ATOM 579 CB GLU A 84 10.975 25.178 25.968 1.00 27.79 C ATOM 580 CG GLU A 84 10.619 26.641 26.188 1.00 28.33 C ATOM 581 CD GLU A 84 10.321 27.419 24.918 1.00 32.04 C ATOM 582 OE1 GLU A 84 9.783 26.821 23.951 1.00 36.29 O ATOM 583 OE2 GLU A 84 10.674 28.614 24.875 1.00 30.77 O ATOM 0 H GLU A 84 13.529 25.020 26.665 1.00 28.59 H new ATOM 0 HA GLU A 84 11.199 24.806 27.991 1.00 26.34 H new ATOM 0 HB2 GLU A 84 11.555 25.102 25.194 1.00 27.79 H new ATOM 0 HB3 GLU A 84 10.168 24.678 25.768 1.00 27.79 H new ATOM 0 HG2 GLU A 84 9.845 26.689 26.771 1.00 28.33 H new ATOM 0 HG3 GLU A 84 11.352 27.073 26.653 1.00 28.33 H new ATOM 584 N TYR A 85 12.723 22.342 26.839 1.00 24.61 N ATOM 585 CA TYR A 85 12.653 20.895 26.690 1.00 24.68 C ATOM 586 C TYR A 85 13.655 20.227 27.616 1.00 23.19 C ATOM 587 O TYR A 85 14.683 20.784 27.947 1.00 25.18 O ATOM 588 CB TYR A 85 12.912 20.510 25.227 1.00 25.00 C ATOM 589 CG TYR A 85 11.871 21.021 24.278 1.00 22.87 C ATOM 590 CD1 TYR A 85 10.723 20.296 24.017 1.00 20.63 C ATOM 591 CD2 TYR A 85 11.998 22.277 23.714 1.00 21.87 C ATOM 592 CE1 TYR A 85 9.728 20.786 23.201 1.00 24.32 C ATOM 593 CE2 TYR A 85 11.020 22.778 22.884 1.00 24.76 C ATOM 594 CZ TYR A 85 9.884 22.035 22.625 1.00 23.11 C ATOM 595 OH TYR A 85 8.949 22.547 21.801 1.00 26.78 O ATOM 0 H TYR A 85 13.511 22.681 26.782 1.00 24.61 H new ATOM 0 HA TYR A 85 11.766 20.588 26.934 1.00 24.68 H new ATOM 0 HB2 TYR A 85 13.779 20.853 24.959 1.00 25.00 H new ATOM 0 HB3 TYR A 85 12.955 19.543 25.158 1.00 25.00 H new ATOM 0 HD1 TYR A 85 10.620 19.456 24.402 1.00 20.63 H new ATOM 0 HD2 TYR A 85 12.752 22.789 23.897 1.00 21.87 H new ATOM 0 HE1 TYR A 85 8.962 20.285 23.039 1.00 24.32 H new ATOM 0 HE2 TYR A 85 11.124 23.617 22.497 1.00 24.76 H new ATOM 0 HH TYR A 85 8.194 22.242 22.009 1.00 26.78 H new ATOM 596 N ASP A 86 13.390 18.985 27.988 1.00 23.25 N ATOM 597 CA ASP A 86 14.336 18.246 28.818 1.00 26.44 C ATOM 598 C ASP A 86 15.008 17.112 28.017 1.00 23.30 C ATOM 599 O ASP A 86 15.893 16.413 28.539 1.00 24.82 O ATOM 600 CB ASP A 86 13.658 17.798 30.120 1.00 31.09 C ATOM 601 CG ASP A 86 12.346 17.073 29.920 1.00 33.89 C ATOM 602 OD1 ASP A 86 12.093 16.627 28.784 1.00 37.94 O ATOM 603 OD2 ASP A 86 11.586 16.937 30.896 1.00 35.19 O ATOM 0 H ASP A 86 12.678 18.553 27.775 1.00 23.25 H new ATOM 0 HA ASP A 86 15.066 18.827 29.085 1.00 26.44 H new ATOM 0 HB2 ASP A 86 14.265 17.218 30.606 1.00 31.09 H new ATOM 0 HB3 ASP A 86 13.503 18.577 30.677 1.00 31.09 H new ATOM 604 N LEU A 87 14.632 16.931 26.744 1.00 23.35 N ATOM 605 CA LEU A 87 15.295 15.938 25.875 1.00 20.27 C ATOM 606 C LEU A 87 15.103 16.349 24.404 1.00 19.48 C ATOM 607 O LEU A 87 14.023 16.808 24.047 1.00 18.31 O ATOM 608 CB LEU A 87 14.636 14.581 26.138 1.00 21.60 C ATOM 609 CG LEU A 87 15.276 13.375 25.461 1.00 21.72 C ATOM 610 CD1 LEU A 87 16.735 13.180 25.865 1.00 23.20 C ATOM 611 CD2 LEU A 87 14.455 12.138 25.757 1.00 23.24 C ATOM 0 H LEU A 87 13.998 17.370 26.363 1.00 23.35 H new ATOM 0 HA LEU A 87 16.246 15.888 26.060 1.00 20.27 H new ATOM 0 HB2 LEU A 87 14.632 14.426 27.095 1.00 21.60 H new ATOM 0 HB3 LEU A 87 13.710 14.633 25.855 1.00 21.60 H new ATOM 0 HG LEU A 87 15.283 13.537 24.505 1.00 21.72 H new ATOM 0 HD11 LEU A 87 17.096 12.403 25.410 1.00 23.20 H new ATOM 0 HD12 LEU A 87 17.247 13.966 25.618 1.00 23.20 H new ATOM 0 HD13 LEU A 87 16.790 13.047 26.824 1.00 23.20 H new ATOM 0 HD21 LEU A 87 14.861 11.369 25.327 1.00 23.24 H new ATOM 0 HD22 LEU A 87 14.423 11.992 26.715 1.00 23.24 H new ATOM 0 HD23 LEU A 87 13.554 12.259 25.419 1.00 23.24 H new ATOM 612 N VAL A 88 16.146 16.193 23.594 1.00 18.39 N ATOM 613 CA VAL A 88 16.124 16.566 22.189 1.00 19.14 C ATOM 614 C VAL A 88 16.676 15.390 21.369 1.00 18.94 C ATOM 615 O VAL A 88 17.730 14.830 21.677 1.00 18.95 O ATOM 616 CB VAL A 88 16.937 17.855 21.955 1.00 20.90 C ATOM 617 CG1 VAL A 88 16.967 18.289 20.491 1.00 21.32 C ATOM 618 CG2 VAL A 88 16.458 18.996 22.854 1.00 22.76 C ATOM 0 H VAL A 88 16.897 15.862 23.852 1.00 18.39 H new ATOM 0 HA VAL A 88 15.215 16.753 21.906 1.00 19.14 H new ATOM 0 HB VAL A 88 17.851 17.639 22.199 1.00 20.90 H new ATOM 0 HG11 VAL A 88 17.490 19.101 20.405 1.00 21.32 H new ATOM 0 HG12 VAL A 88 17.368 17.588 19.954 1.00 21.32 H new ATOM 0 HG13 VAL A 88 16.062 18.454 20.183 1.00 21.32 H new ATOM 0 HG21 VAL A 88 16.989 19.789 22.681 1.00 22.76 H new ATOM 0 HG22 VAL A 88 15.525 19.185 22.668 1.00 22.76 H new ATOM 0 HG23 VAL A 88 16.555 18.738 23.784 1.00 22.76 H new ATOM 619 N PHE A 89 15.938 15.048 20.325 1.00 17.69 N ATOM 620 CA PHE A 89 16.350 14.078 19.309 1.00 17.95 C ATOM 621 C PHE A 89 16.771 14.781 18.018 1.00 17.95 C ATOM 622 O PHE A 89 16.080 15.736 17.517 1.00 17.75 O ATOM 623 CB PHE A 89 15.198 13.136 18.924 1.00 16.60 C ATOM 624 CG PHE A 89 14.774 12.152 19.987 1.00 19.28 C ATOM 625 CD1 PHE A 89 15.486 12.021 21.173 1.00 18.18 C ATOM 626 CD2 PHE A 89 13.687 11.313 19.769 1.00 19.89 C ATOM 627 CE1 PHE A 89 15.075 11.124 22.135 1.00 19.30 C ATOM 628 CE2 PHE A 89 13.291 10.406 20.732 1.00 21.02 C ATOM 629 CZ PHE A 89 14.003 10.303 21.905 1.00 19.15 C ATOM 0 H PHE A 89 15.159 15.381 20.179 1.00 17.69 H new ATOM 0 HA PHE A 89 17.086 13.582 19.699 1.00 17.95 H new ATOM 0 HB2 PHE A 89 14.429 13.675 18.680 1.00 16.60 H new ATOM 0 HB3 PHE A 89 15.459 12.640 18.133 1.00 16.60 H new ATOM 0 HD1 PHE A 89 16.243 12.541 21.318 1.00 18.18 H new ATOM 0 HD2 PHE A 89 13.221 11.363 18.966 1.00 19.89 H new ATOM 0 HE1 PHE A 89 15.528 11.076 22.946 1.00 19.30 H new ATOM 0 HE2 PHE A 89 12.547 9.867 20.588 1.00 21.02 H new ATOM 0 HZ PHE A 89 13.756 9.674 22.544 1.00 19.15 H new ATOM 630 N SER A 90 17.886 14.293 17.479 1.00 17.60 N ATOM 631 CA SER A 90 18.274 14.534 16.117 1.00 18.92 C ATOM 632 C SER A 90 17.920 13.288 15.292 1.00 17.45 C ATOM 633 O SER A 90 18.583 12.259 15.370 1.00 17.99 O ATOM 634 CB SER A 90 19.725 14.895 16.015 1.00 20.30 C ATOM 635 OG SER A 90 20.142 14.849 14.666 1.00 22.00 O ATOM 0 H SER A 90 18.443 13.803 17.914 1.00 17.60 H new ATOM 0 HA SER A 90 17.791 15.297 15.763 1.00 18.92 H new ATOM 0 HB2 SER A 90 19.871 15.783 16.376 1.00 20.30 H new ATOM 0 HB3 SER A 90 20.256 14.282 16.547 1.00 20.30 H new ATOM 0 HG SER A 90 20.597 14.155 14.537 1.00 22.00 H new ATOM 636 N LEU A 91 16.755 13.323 14.663 1.00 17.45 N ATOM 637 CA LEU A 91 16.234 12.187 13.908 1.00 18.49 C ATOM 638 C LEU A 91 16.458 12.493 12.427 1.00 20.22 C ATOM 639 O LEU A 91 15.532 12.931 11.706 1.00 20.59 O ATOM 640 CB LEU A 91 14.750 11.977 14.258 1.00 19.69 C ATOM 641 CG LEU A 91 14.083 10.745 13.642 1.00 19.43 C ATOM 642 CD1 LEU A 91 14.758 9.474 14.118 1.00 20.38 C ATOM 643 CD2 LEU A 91 12.621 10.719 14.003 1.00 19.95 C ATOM 0 H LEU A 91 16.238 14.010 14.660 1.00 17.45 H new ATOM 0 HA LEU A 91 16.688 11.358 14.129 1.00 18.49 H new ATOM 0 HB2 LEU A 91 14.669 11.918 15.223 1.00 19.69 H new ATOM 0 HB3 LEU A 91 14.256 12.764 13.979 1.00 19.69 H new ATOM 0 HG LEU A 91 14.173 10.796 12.678 1.00 19.43 H new ATOM 0 HD11 LEU A 91 14.322 8.706 13.717 1.00 20.38 H new ATOM 0 HD12 LEU A 91 15.692 9.487 13.858 1.00 20.38 H new ATOM 0 HD13 LEU A 91 14.693 9.415 15.084 1.00 20.38 H new ATOM 0 HD21 LEU A 91 12.204 9.936 13.610 1.00 19.95 H new ATOM 0 HD22 LEU A 91 12.526 10.685 14.968 1.00 19.95 H new ATOM 0 HD23 LEU A 91 12.190 11.519 13.664 1.00 19.95 H new ATOM 644 N HIS A 92 17.698 12.288 11.991 1.00 18.20 N ATOM 645 CA HIS A 92 18.121 12.612 10.654 1.00 19.26 C ATOM 646 C HIS A 92 17.874 14.111 10.433 1.00 21.67 C ATOM 647 O HIS A 92 17.263 14.544 9.465 1.00 21.05 O ATOM 648 CB HIS A 92 17.375 11.773 9.593 1.00 19.26 C ATOM 649 CG HIS A 92 17.663 10.308 9.547 1.00 19.08 C ATOM 650 ND1 HIS A 92 17.646 9.607 8.358 1.00 17.35 N ATOM 651 CD2 HIS A 92 17.902 9.412 10.518 1.00 19.09 C ATOM 652 CE1 HIS A 92 17.853 8.328 8.632 1.00 19.67 C ATOM 653 NE2 HIS A 92 18.018 8.191 9.940 1.00 17.92 N ATOM 0 H HIS A 92 18.320 11.951 12.480 1.00 18.20 H new ATOM 0 HA HIS A 92 19.063 12.403 10.555 1.00 19.26 H new ATOM 0 HB2 HIS A 92 16.422 11.887 9.737 1.00 19.26 H new ATOM 0 HB3 HIS A 92 17.577 12.146 8.720 1.00 19.26 H new ATOM 0 HD1 HIS A 92 17.523 9.942 7.576 1.00 17.35 H new ATOM 0 HD2 HIS A 92 17.975 9.596 11.427 1.00 19.09 H new ATOM 0 HE1 HIS A 92 17.878 7.638 8.008 1.00 19.67 H new ATOM 0 HE2 HIS A 92 18.173 7.452 10.352 1.00 17.92 H new ATOM 654 N CYS A 93 18.322 14.874 11.422 1.00 21.36 N ATOM 655 CA CYS A 93 18.315 16.295 11.374 1.00 21.94 C ATOM 656 C CYS A 93 19.475 16.772 10.498 1.00 21.76 C ATOM 657 O CYS A 93 20.640 16.446 10.754 1.00 22.48 O ATOM 658 CB CYS A 93 18.510 16.850 12.772 1.00 20.61 C ATOM 659 SG CYS A 93 18.584 18.644 12.745 1.00 23.36 S ATOM 0 H CYS A 93 18.644 14.555 12.153 1.00 21.36 H new ATOM 0 HA CYS A 93 17.469 16.600 11.011 1.00 21.94 H new ATOM 0 HB2 CYS A 93 17.781 16.561 13.343 1.00 20.61 H new ATOM 0 HB3 CYS A 93 19.328 16.495 13.154 1.00 20.61 H new ATOM 0 HG CYS A 93 19.731 18.998 12.752 1.00 23.36 H new ATOM 660 N LYS A 94 19.181 17.578 9.501 1.00 22.45 N ATOM 661 CA LYS A 94 20.250 18.013 8.612 1.00 24.11 C ATOM 662 C LYS A 94 21.073 19.160 9.220 1.00 25.49 C ATOM 663 O LYS A 94 22.215 19.342 8.804 1.00 27.57 O ATOM 664 CB LYS A 94 19.727 18.288 7.210 1.00 25.69 C ATOM 665 CG LYS A 94 19.808 16.997 6.392 1.00 28.97 C ATOM 666 CD LYS A 94 19.123 16.991 5.109 1.00 31.76 C ATOM 667 CE LYS A 94 19.048 15.593 4.509 1.00 28.24 C ATOM 668 NZ LYS A 94 18.724 15.684 3.077 1.00 30.12 N ATOM 0 H LYS A 94 18.397 17.881 9.319 1.00 22.45 H new ATOM 0 HA LYS A 94 20.880 17.282 8.514 1.00 24.11 H new ATOM 0 HB2 LYS A 94 18.811 18.604 7.249 1.00 25.69 H new ATOM 0 HB3 LYS A 94 20.250 18.987 6.787 1.00 25.69 H new ATOM 0 HG2 LYS A 94 20.744 16.796 6.236 1.00 28.97 H new ATOM 0 HG3 LYS A 94 19.448 16.275 6.930 1.00 28.97 H new ATOM 0 HD2 LYS A 94 18.226 17.343 5.221 1.00 31.76 H new ATOM 0 HD3 LYS A 94 19.585 17.582 4.494 1.00 31.76 H new ATOM 0 HE2 LYS A 94 19.894 15.134 4.629 1.00 28.24 H new ATOM 0 HE3 LYS A 94 18.373 15.070 4.969 1.00 28.24 H new ATOM 0 HZ1 LYS A 94 18.624 14.865 2.742 1.00 30.12 H new ATOM 0 HZ2 LYS A 94 17.968 16.142 2.972 1.00 30.12 H new ATOM 0 HZ3 LYS A 94 19.384 16.100 2.649 1.00 30.12 H new ATOM 669 N GLN A 95 20.578 19.882 10.206 1.00 21.88 N ATOM 670 CA GLN A 95 21.378 20.981 10.771 1.00 21.48 C ATOM 671 C GLN A 95 22.224 20.467 11.937 1.00 22.32 C ATOM 672 O GLN A 95 21.760 19.669 12.760 1.00 20.89 O ATOM 673 CB GLN A 95 20.460 22.064 11.338 1.00 23.66 C ATOM 674 CG GLN A 95 19.999 23.067 10.316 1.00 28.09 C ATOM 675 CD GLN A 95 19.367 24.278 10.966 1.00 26.77 C ATOM 676 OE1 GLN A 95 18.530 24.138 11.835 1.00 21.75 O ATOM 677 NE2 GLN A 95 19.735 25.468 10.498 1.00 32.28 N ATOM 0 H GLN A 95 19.804 19.767 10.563 1.00 21.88 H new ATOM 0 HA GLN A 95 21.937 21.335 10.062 1.00 21.48 H new ATOM 0 HB2 GLN A 95 19.683 21.641 11.737 1.00 23.66 H new ATOM 0 HB3 GLN A 95 20.926 22.531 12.049 1.00 23.66 H new ATOM 0 HG2 GLN A 95 20.753 23.347 9.774 1.00 28.09 H new ATOM 0 HG3 GLN A 95 19.359 22.650 9.718 1.00 28.09 H new ATOM 0 HE21 GLN A 95 20.332 25.522 9.882 1.00 32.28 H new ATOM 0 HE22 GLN A 95 19.376 26.183 10.812 1.00 32.28 H new ATOM 678 N ILE A 96 23.444 20.979 12.001 1.00 24.41 N ATOM 679 CA ILE A 96 24.417 20.739 13.063 1.00 28.65 C ATOM 680 C ILE A 96 23.891 21.257 14.407 1.00 25.05 C ATOM 681 O ILE A 96 23.400 22.376 14.478 1.00 29.35 O ATOM 682 CB ILE A 96 25.718 21.461 12.667 1.00 34.87 C ATOM 683 CG1 ILE A 96 26.477 20.629 11.635 1.00 38.39 C ATOM 684 CG2 ILE A 96 26.574 21.801 13.885 1.00 40.03 C ATOM 685 CD1 ILE A 96 27.223 19.458 12.236 1.00 43.61 C ATOM 0 H ILE A 96 23.746 21.506 11.393 1.00 24.41 H new ATOM 0 HA ILE A 96 24.578 19.788 13.169 1.00 28.65 H new ATOM 0 HB ILE A 96 25.490 22.311 12.259 1.00 34.87 H new ATOM 0 HG12 ILE A 96 25.851 20.299 10.972 1.00 38.39 H new ATOM 0 HG13 ILE A 96 27.107 21.201 11.169 1.00 38.39 H new ATOM 0 HG21 ILE A 96 27.382 22.253 13.597 1.00 40.03 H new ATOM 0 HG22 ILE A 96 26.074 22.381 14.480 1.00 40.03 H new ATOM 0 HG23 ILE A 96 26.810 20.985 14.353 1.00 40.03 H new ATOM 0 HD11 ILE A 96 27.682 18.972 11.534 1.00 43.61 H new ATOM 0 HD12 ILE A 96 27.871 19.783 12.880 1.00 43.61 H new ATOM 0 HD13 ILE A 96 26.595 18.867 12.680 1.00 43.61 H new ATOM 686 N PHE A 97 23.932 20.460 15.476 1.00 22.92 N ATOM 687 CA PHE A 97 23.642 20.986 16.822 1.00 21.12 C ATOM 688 C PHE A 97 24.919 21.632 17.378 1.00 23.25 C ATOM 689 O PHE A 97 25.972 20.969 17.508 1.00 23.19 O ATOM 690 CB PHE A 97 23.155 19.897 17.774 1.00 21.78 C ATOM 691 CG PHE A 97 21.761 19.353 17.551 1.00 19.52 C ATOM 692 CD1 PHE A 97 21.008 19.710 16.449 1.00 22.48 C ATOM 693 CD2 PHE A 97 21.201 18.515 18.487 1.00 20.88 C ATOM 694 CE1 PHE A 97 19.715 19.229 16.293 1.00 21.85 C ATOM 695 CE2 PHE A 97 19.913 18.025 18.329 1.00 20.89 C ATOM 696 CZ PHE A 97 19.173 18.388 17.233 1.00 21.32 C ATOM 0 H PHE A 97 24.123 19.622 15.450 1.00 22.92 H new ATOM 0 HA PHE A 97 22.929 21.639 16.749 1.00 21.12 H new ATOM 0 HB2 PHE A 97 23.778 19.155 17.725 1.00 21.78 H new ATOM 0 HB3 PHE A 97 23.200 20.246 18.678 1.00 21.78 H new ATOM 0 HD1 PHE A 97 21.370 20.277 15.807 1.00 22.48 H new ATOM 0 HD2 PHE A 97 21.694 18.273 19.238 1.00 20.88 H new ATOM 0 HE1 PHE A 97 19.215 19.477 15.549 1.00 21.85 H new ATOM 0 HE2 PHE A 97 19.552 17.451 18.965 1.00 20.89 H new ATOM 0 HZ PHE A 97 18.307 18.066 17.127 1.00 21.32 H new ATOM 697 N PRO A 98 24.856 22.909 17.723 1.00 23.99 N ATOM 698 CA PRO A 98 26.052 23.571 18.319 1.00 23.46 C ATOM 699 C PRO A 98 26.301 23.093 19.763 1.00 24.82 C ATOM 700 O PRO A 98 25.406 22.524 20.418 1.00 21.71 O ATOM 701 CB PRO A 98 25.700 25.069 18.244 1.00 26.27 C ATOM 702 CG PRO A 98 24.196 25.058 18.485 1.00 26.49 C ATOM 703 CD PRO A 98 23.697 23.803 17.781 1.00 23.65 C ATOM 0 HA PRO A 98 26.878 23.364 17.855 1.00 23.46 H new ATOM 0 HB2 PRO A 98 26.171 25.586 18.916 1.00 26.27 H new ATOM 0 HB3 PRO A 98 25.926 25.452 17.382 1.00 26.27 H new ATOM 0 HG2 PRO A 98 23.992 25.034 19.433 1.00 26.49 H new ATOM 0 HG3 PRO A 98 23.776 25.854 18.124 1.00 26.49 H new ATOM 0 HD2 PRO A 98 22.964 23.396 18.269 1.00 23.65 H new ATOM 0 HD3 PRO A 98 23.367 24.007 16.892 1.00 23.65 H new ATOM 704 N ALA A 99 27.529 23.277 20.247 1.00 26.61 N ATOM 705 CA ALA A 99 27.905 22.894 21.623 1.00 28.42 C ATOM 706 C ALA A 99 26.952 23.517 22.644 1.00 26.02 C ATOM 707 O ALA A 99 26.564 22.896 23.631 1.00 25.65 O ATOM 708 CB ALA A 99 29.341 23.322 21.895 1.00 30.77 C ATOM 0 H ALA A 99 28.171 23.626 19.793 1.00 26.61 H new ATOM 0 HA ALA A 99 27.839 21.930 21.710 1.00 28.42 H new ATOM 0 HB1 ALA A 99 29.588 23.071 22.799 1.00 30.77 H new ATOM 0 HB2 ALA A 99 29.934 22.885 21.264 1.00 30.77 H new ATOM 0 HB3 ALA A 99 29.417 24.284 21.795 1.00 30.77 H new ATOM 709 N LYS A 100 26.560 24.757 22.415 1.00 25.48 N ATOM 710 CA LYS A 100 25.687 25.397 23.366 1.00 27.30 C ATOM 711 C LYS A 100 24.423 24.558 23.580 1.00 27.27 C ATOM 712 O LYS A 100 23.858 24.508 24.675 1.00 26.33 O ATOM 713 CB LYS A 100 25.263 26.760 22.843 1.00 31.95 C ATOM 714 CG LYS A 100 24.665 27.689 23.876 1.00 39.80 C ATOM 715 CD LYS A 100 25.653 28.772 24.267 1.00 48.63 C ATOM 716 CE LYS A 100 26.023 29.673 23.100 1.00 49.03 C ATOM 717 NZ LYS A 100 26.412 31.029 23.554 1.00 48.34 N ATOM 0 H LYS A 100 26.782 25.232 21.733 1.00 25.48 H new ATOM 0 HA LYS A 100 26.169 25.489 24.203 1.00 27.30 H new ATOM 0 HB2 LYS A 100 26.036 27.193 22.448 1.00 31.95 H new ATOM 0 HB3 LYS A 100 24.616 26.631 22.132 1.00 31.95 H new ATOM 0 HG2 LYS A 100 23.858 28.095 23.523 1.00 39.80 H new ATOM 0 HG3 LYS A 100 24.407 27.182 24.662 1.00 39.80 H new ATOM 0 HD2 LYS A 100 25.273 29.310 24.979 1.00 48.63 H new ATOM 0 HD3 LYS A 100 26.457 28.360 24.621 1.00 48.63 H new ATOM 0 HE2 LYS A 100 26.756 29.275 22.604 1.00 49.03 H new ATOM 0 HE3 LYS A 100 25.271 29.739 22.491 1.00 49.03 H new ATOM 0 HZ1 LYS A 100 25.785 31.613 23.316 1.00 48.34 H new ATOM 0 HZ2 LYS A 100 26.499 31.032 24.440 1.00 48.34 H new ATOM 0 HZ3 LYS A 100 27.187 31.257 23.180 1.00 48.34 H new ATOM 718 N LEU A 101 23.934 23.931 22.513 1.00 24.86 N ATOM 719 CA LEU A 101 22.745 23.131 22.667 1.00 22.71 C ATOM 720 C LEU A 101 23.119 21.801 23.334 1.00 21.29 C ATOM 721 O LEU A 101 22.485 21.406 24.306 1.00 21.89 O ATOM 722 CB LEU A 101 22.086 22.918 21.291 1.00 23.90 C ATOM 723 CG LEU A 101 20.830 22.039 21.314 1.00 21.73 C ATOM 724 CD1 LEU A 101 19.783 22.566 22.267 1.00 23.46 C ATOM 725 CD2 LEU A 101 20.249 21.899 19.908 1.00 21.78 C ATOM 0 H LEU A 101 24.268 23.958 21.721 1.00 24.86 H new ATOM 0 HA LEU A 101 22.101 23.583 23.235 1.00 22.71 H new ATOM 0 HB2 LEU A 101 21.854 23.783 20.919 1.00 23.90 H new ATOM 0 HB3 LEU A 101 22.736 22.517 20.693 1.00 23.90 H new ATOM 0 HG LEU A 101 21.098 21.164 21.635 1.00 21.73 H new ATOM 0 HD11 LEU A 101 19.008 21.983 22.251 1.00 23.46 H new ATOM 0 HD12 LEU A 101 20.148 22.594 23.165 1.00 23.46 H new ATOM 0 HD13 LEU A 101 19.520 23.460 21.997 1.00 23.46 H new ATOM 0 HD21 LEU A 101 19.456 21.341 19.939 1.00 21.78 H new ATOM 0 HD22 LEU A 101 20.014 22.776 19.566 1.00 21.78 H new ATOM 0 HD23 LEU A 101 20.908 21.491 19.324 1.00 21.78 H new ATOM 726 N THR A 102 24.099 21.079 22.800 1.00 20.94 N ATOM 727 CA THR A 102 24.323 19.724 23.300 1.00 21.56 C ATOM 728 C THR A 102 24.852 19.759 24.740 1.00 25.38 C ATOM 729 O THR A 102 24.606 18.823 25.474 1.00 24.51 O ATOM 730 CB THR A 102 25.251 18.939 22.379 1.00 22.92 C ATOM 731 OG1 THR A 102 26.491 19.636 22.215 1.00 22.94 O ATOM 732 CG2 THR A 102 24.570 18.703 21.045 1.00 23.67 C ATOM 0 H THR A 102 24.627 21.339 22.173 1.00 20.94 H new ATOM 0 HA THR A 102 23.471 19.261 23.308 1.00 21.56 H new ATOM 0 HB THR A 102 25.446 18.076 22.777 1.00 22.92 H new ATOM 0 HG1 THR A 102 27.026 19.403 22.819 1.00 22.94 H new ATOM 0 HG21 THR A 102 25.163 18.204 20.462 1.00 23.67 H new ATOM 0 HG22 THR A 102 23.753 18.198 21.183 1.00 23.67 H new ATOM 0 HG23 THR A 102 24.357 19.556 20.635 1.00 23.67 H new ATOM 733 N ASP A 103 25.577 20.814 25.109 1.00 25.57 N ATOM 734 CA ASP A 103 26.132 20.977 26.486 1.00 26.74 C ATOM 735 C ASP A 103 25.036 21.189 27.521 1.00 28.80 C ATOM 736 O ASP A 103 25.283 20.975 28.720 1.00 27.98 O ATOM 737 CB ASP A 103 27.054 22.191 26.613 1.00 28.27 C ATOM 738 CG ASP A 103 28.379 22.051 25.897 1.00 32.25 C ATOM 739 OD1 ASP A 103 28.772 20.911 25.595 1.00 32.70 O ATOM 740 OD2 ASP A 103 28.996 23.101 25.619 1.00 33.94 O ATOM 0 H ASP A 103 25.769 21.463 24.579 1.00 25.57 H new ATOM 0 HA ASP A 103 26.620 20.154 26.645 1.00 26.74 H new ATOM 0 HB2 ASP A 103 26.593 22.971 26.266 1.00 28.27 H new ATOM 0 HB3 ASP A 103 27.224 22.357 27.554 1.00 28.27 H new ATOM 741 N ASN A 104 23.850 21.640 27.114 1.00 25.58 N ATOM 742 CA ASN A 104 22.924 22.180 28.069 1.00 25.59 C ATOM 743 C ASN A 104 21.614 21.401 28.113 1.00 26.70 C ATOM 744 O ASN A 104 20.804 21.663 29.008 1.00 26.31 O ATOM 745 CB ASN A 104 22.712 23.674 27.819 1.00 27.22 C ATOM 746 CG ASN A 104 23.960 24.416 28.227 1.00 31.10 C ATOM 747 OD1 ASN A 104 24.343 24.283 29.386 1.00 31.20 O ATOM 748 ND2 ASN A 104 24.655 25.059 27.300 1.00 29.53 N ATOM 0 H ASN A 104 23.577 21.637 26.299 1.00 25.58 H new ATOM 0 HA ASN A 104 23.313 22.081 28.952 1.00 25.59 H new ATOM 0 HB2 ASN A 104 22.517 23.834 26.882 1.00 27.22 H new ATOM 0 HB3 ASN A 104 21.950 23.995 28.326 1.00 27.22 H new ATOM 0 HD21 ASN A 104 25.415 25.409 27.498 1.00 29.53 H new ATOM 0 HD22 ASN A 104 24.346 25.127 26.500 1.00 29.53 H new ATOM 749 N VAL A 105 21.411 20.439 27.213 1.00 23.61 N ATOM 750 CA VAL A 105 20.248 19.580 27.279 1.00 22.19 C ATOM 751 C VAL A 105 20.618 18.235 26.636 1.00 20.88 C ATOM 752 O VAL A 105 21.421 18.204 25.753 1.00 20.51 O ATOM 753 CB VAL A 105 19.021 20.209 26.602 1.00 25.38 C ATOM 754 CG1 VAL A 105 19.256 20.422 25.113 1.00 25.86 C ATOM 755 CG2 VAL A 105 17.749 19.383 26.830 1.00 26.21 C ATOM 0 H VAL A 105 21.941 20.273 26.557 1.00 23.61 H new ATOM 0 HA VAL A 105 19.996 19.449 28.207 1.00 22.19 H new ATOM 0 HB VAL A 105 18.888 21.075 27.018 1.00 25.38 H new ATOM 0 HG11 VAL A 105 18.466 20.819 24.714 1.00 25.86 H new ATOM 0 HG12 VAL A 105 20.014 21.014 24.986 1.00 25.86 H new ATOM 0 HG13 VAL A 105 19.438 19.569 24.689 1.00 25.86 H new ATOM 0 HG21 VAL A 105 17.000 19.813 26.388 1.00 26.21 H new ATOM 0 HG22 VAL A 105 17.871 18.493 26.465 1.00 26.21 H new ATOM 0 HG23 VAL A 105 17.570 19.320 27.781 1.00 26.21 H new ATOM 756 N CYS A 106 20.035 17.150 27.111 1.00 21.07 N ATOM 757 CA CYS A 106 20.388 15.835 26.597 1.00 21.79 C ATOM 758 C CYS A 106 19.923 15.741 25.134 1.00 21.84 C ATOM 759 O CYS A 106 18.760 15.818 24.869 1.00 20.07 O ATOM 760 CB CYS A 106 19.742 14.720 27.389 1.00 24.82 C ATOM 761 SG CYS A 106 20.151 13.043 26.808 1.00 26.98 S ATOM 0 H CYS A 106 19.435 17.149 27.728 1.00 21.07 H new ATOM 0 HA CYS A 106 21.350 15.731 26.671 1.00 21.79 H new ATOM 0 HB2 CYS A 106 20.009 14.802 28.318 1.00 24.82 H new ATOM 0 HB3 CYS A 106 18.779 14.834 27.360 1.00 24.82 H new ATOM 0 HG CYS A 106 20.079 13.005 25.611 1.00 26.98 H new ATOM 762 N CYS A 107 20.871 15.597 24.234 1.00 21.47 N ATOM 763 CA CYS A 107 20.606 15.479 22.807 1.00 20.23 C ATOM 764 C CYS A 107 21.055 14.096 22.335 1.00 19.78 C ATOM 765 O CYS A 107 22.163 13.675 22.636 1.00 20.44 O ATOM 766 CB CYS A 107 21.350 16.549 22.021 1.00 21.71 C ATOM 767 SG CYS A 107 20.766 18.224 22.387 1.00 20.98 S ATOM 0 H CYS A 107 21.707 15.564 24.433 1.00 21.47 H new ATOM 0 HA CYS A 107 19.655 15.598 22.654 1.00 20.23 H new ATOM 0 HB2 CYS A 107 22.297 16.491 22.221 1.00 21.71 H new ATOM 0 HB3 CYS A 107 21.249 16.376 21.072 1.00 21.71 H new ATOM 0 HG CYS A 107 21.026 18.499 23.526 1.00 20.98 H new ATOM 768 N ILE A 108 20.201 13.437 21.569 1.00 19.58 N ATOM 769 CA ILE A 108 20.391 12.033 21.158 1.00 18.73 C ATOM 770 C ILE A 108 20.244 11.964 19.639 1.00 18.83 C ATOM 771 O ILE A 108 19.240 12.460 19.096 1.00 17.54 O ATOM 772 CB ILE A 108 19.405 11.102 21.873 1.00 19.21 C ATOM 773 CG1 ILE A 108 19.652 11.048 23.384 1.00 20.85 C ATOM 774 CG2 ILE A 108 19.447 9.682 21.307 1.00 19.97 C ATOM 775 CD1 ILE A 108 18.755 10.077 24.110 1.00 20.79 C ATOM 0 H ILE A 108 19.479 13.789 21.262 1.00 19.58 H new ATOM 0 HA ILE A 108 21.276 11.728 21.412 1.00 18.73 H new ATOM 0 HB ILE A 108 18.525 11.479 21.715 1.00 19.21 H new ATOM 0 HG12 ILE A 108 20.577 10.803 23.544 1.00 20.85 H new ATOM 0 HG13 ILE A 108 19.524 11.934 23.757 1.00 20.85 H new ATOM 0 HG21 ILE A 108 18.812 9.125 21.783 1.00 19.97 H new ATOM 0 HG22 ILE A 108 19.216 9.702 20.365 1.00 19.97 H new ATOM 0 HG23 ILE A 108 20.340 9.317 21.413 1.00 19.97 H new ATOM 0 HD11 ILE A 108 18.962 10.091 25.058 1.00 20.79 H new ATOM 0 HD12 ILE A 108 17.828 10.331 23.978 1.00 20.79 H new ATOM 0 HD13 ILE A 108 18.897 9.183 23.762 1.00 20.79 H new ATOM 776 N ASN A 109 21.225 11.358 18.964 1.00 17.57 N ATOM 777 CA ASN A 109 21.187 11.307 17.495 1.00 18.21 C ATOM 778 C ASN A 109 20.791 9.900 17.038 1.00 19.17 C ATOM 779 O ASN A 109 21.222 8.866 17.639 1.00 17.39 O ATOM 780 CB ASN A 109 22.539 11.706 16.920 1.00 19.20 C ATOM 781 CG ASN A 109 22.610 11.672 15.413 1.00 19.84 C ATOM 782 OD1 ASN A 109 21.647 12.294 14.767 1.00 21.34 O flip ATOM 783 ND2 ASN A 109 23.564 11.124 14.850 1.00 16.30 N flip ATOM 0 H ASN A 109 21.907 10.978 19.325 1.00 17.57 H new ATOM 0 HA ASN A 109 20.524 11.936 17.168 1.00 18.21 H new ATOM 0 HB2 ASN A 109 22.755 12.602 17.223 1.00 19.20 H new ATOM 0 HB3 ASN A 109 23.218 11.113 17.278 1.00 19.20 H new ATOM 0 HD21 ASN A 109 24.170 10.730 15.316 1.00 16.30 H new ATOM 0 HD22 ASN A 109 23.622 11.137 13.992 1.00 16.30 H new ATOM 784 N PHE A 110 19.939 9.861 16.017 1.00 17.35 N ATOM 785 CA PHE A 110 19.516 8.606 15.370 1.00 18.23 C ATOM 786 C PHE A 110 20.149 8.549 13.984 1.00 18.25 C ATOM 787 O PHE A 110 19.771 9.286 13.069 1.00 18.33 O ATOM 788 CB PHE A 110 17.995 8.493 15.337 1.00 18.05 C ATOM 789 CG PHE A 110 17.342 8.431 16.685 1.00 18.16 C ATOM 790 CD1 PHE A 110 16.718 7.270 17.107 1.00 18.95 C ATOM 791 CD2 PHE A 110 17.326 9.544 17.517 1.00 20.54 C ATOM 792 CE1 PHE A 110 16.077 7.217 18.335 1.00 19.43 C ATOM 793 CE2 PHE A 110 16.716 9.476 18.754 1.00 21.23 C ATOM 794 CZ PHE A 110 16.075 8.316 19.148 1.00 21.02 C ATOM 0 H PHE A 110 19.584 10.565 15.673 1.00 17.35 H new ATOM 0 HA PHE A 110 19.822 7.839 15.879 1.00 18.23 H new ATOM 0 HB2 PHE A 110 17.637 9.253 14.852 1.00 18.05 H new ATOM 0 HB3 PHE A 110 17.753 7.698 14.837 1.00 18.05 H new ATOM 0 HD1 PHE A 110 16.729 6.517 16.561 1.00 18.95 H new ATOM 0 HD2 PHE A 110 17.727 10.336 17.240 1.00 20.54 H new ATOM 0 HE1 PHE A 110 15.650 6.436 18.605 1.00 19.43 H new ATOM 0 HE2 PHE A 110 16.736 10.211 19.323 1.00 21.23 H new ATOM 0 HZ PHE A 110 15.641 8.283 19.970 1.00 21.02 H new ATOM 795 N HIS A 111 21.241 7.781 13.881 1.00 20.62 N ATOM 796 CA HIS A 111 22.152 7.815 12.758 1.00 18.78 C ATOM 797 C HIS A 111 22.015 6.558 11.890 1.00 19.40 C ATOM 798 O HIS A 111 22.143 5.454 12.393 1.00 18.34 O ATOM 799 CB HIS A 111 23.584 7.962 13.272 1.00 19.53 C ATOM 800 CG HIS A 111 24.627 7.895 12.219 1.00 20.10 C ATOM 801 ND1 HIS A 111 24.734 8.831 11.212 1.00 18.43 N ATOM 802 CD2 HIS A 111 25.567 6.953 11.986 1.00 19.19 C ATOM 803 CE1 HIS A 111 25.754 8.522 10.446 1.00 19.78 C ATOM 804 NE2 HIS A 111 26.291 7.351 10.894 1.00 20.02 N ATOM 0 H HIS A 111 21.469 7.214 14.486 1.00 20.62 H new ATOM 0 HA HIS A 111 21.930 8.577 12.200 1.00 18.78 H new ATOM 0 HB2 HIS A 111 23.663 8.810 13.736 1.00 19.53 H new ATOM 0 HB3 HIS A 111 23.754 7.265 13.924 1.00 19.53 H new ATOM 0 HD1 HIS A 111 24.216 9.509 11.103 1.00 18.43 H new ATOM 0 HD2 HIS A 111 25.699 6.175 12.478 1.00 19.19 H new ATOM 0 HE1 HIS A 111 26.059 9.018 9.721 1.00 19.78 H new ATOM 805 N PRO A 112 21.832 6.733 10.577 1.00 18.62 N ATOM 806 CA PRO A 112 21.673 5.607 9.679 1.00 17.84 C ATOM 807 C PRO A 112 23.038 5.101 9.198 1.00 17.86 C ATOM 808 O PRO A 112 23.266 4.920 8.000 1.00 18.62 O ATOM 809 CB PRO A 112 20.796 6.149 8.552 1.00 17.29 C ATOM 810 CG PRO A 112 21.298 7.564 8.392 1.00 17.02 C ATOM 811 CD PRO A 112 21.642 7.987 9.812 1.00 17.86 C ATOM 0 HA PRO A 112 21.262 4.833 10.096 1.00 17.84 H new ATOM 0 HB2 PRO A 112 20.900 5.635 7.736 1.00 17.29 H new ATOM 0 HB3 PRO A 112 19.855 6.125 8.785 1.00 17.29 H new ATOM 0 HG2 PRO A 112 22.073 7.603 7.811 1.00 17.02 H new ATOM 0 HG3 PRO A 112 20.622 8.140 8.002 1.00 17.02 H new ATOM 0 HD2 PRO A 112 22.447 8.529 9.828 1.00 17.86 H new ATOM 0 HD3 PRO A 112 20.931 8.524 10.196 1.00 17.86 H new ATOM 812 N GLY A 113 23.895 4.809 10.175 1.00 17.87 N ATOM 813 CA GLY A 113 25.183 4.113 9.955 1.00 18.74 C ATOM 814 C GLY A 113 25.547 3.298 11.181 1.00 17.90 C ATOM 815 O GLY A 113 24.887 3.450 12.220 1.00 17.00 O ATOM 0 H GLY A 113 23.750 5.009 10.999 1.00 17.87 H new ATOM 0 HA2 GLY A 113 25.118 3.534 9.180 1.00 18.74 H new ATOM 0 HA3 GLY A 113 25.881 4.760 9.768 1.00 18.74 H new ATOM 816 N LEU A 114 26.533 2.396 11.044 1.00 19.53 N ATOM 817 CA LEU A 114 26.973 1.620 12.212 1.00 20.71 C ATOM 818 C LEU A 114 28.267 2.231 12.757 1.00 18.55 C ATOM 819 O LEU A 114 29.353 1.981 12.243 1.00 17.75 O ATOM 820 CB LEU A 114 27.172 0.143 11.830 1.00 20.96 C ATOM 821 CG LEU A 114 27.333 -0.800 13.039 1.00 22.27 C ATOM 822 CD1 LEU A 114 25.996 -1.070 13.710 1.00 21.06 C ATOM 823 CD2 LEU A 114 28.032 -2.100 12.652 1.00 24.07 C ATOM 0 H LEU A 114 26.946 2.224 10.310 1.00 19.53 H new ATOM 0 HA LEU A 114 26.294 1.653 12.904 1.00 20.71 H new ATOM 0 HB2 LEU A 114 26.413 -0.150 11.302 1.00 20.96 H new ATOM 0 HB3 LEU A 114 27.957 0.067 11.265 1.00 20.96 H new ATOM 0 HG LEU A 114 27.901 -0.349 13.683 1.00 22.27 H new ATOM 0 HD11 LEU A 114 26.127 -1.664 14.465 1.00 21.06 H new ATOM 0 HD12 LEU A 114 25.614 -0.234 14.020 1.00 21.06 H new ATOM 0 HD13 LEU A 114 25.392 -1.484 13.074 1.00 21.06 H new ATOM 0 HD21 LEU A 114 28.116 -2.668 13.434 1.00 24.07 H new ATOM 0 HD22 LEU A 114 27.511 -2.559 11.975 1.00 24.07 H new ATOM 0 HD23 LEU A 114 28.914 -1.901 12.301 1.00 24.07 H new ATOM 824 N ASN A 115 28.144 3.026 13.796 1.00 19.75 N ATOM 825 CA ASN A 115 29.308 3.667 14.358 1.00 21.45 C ATOM 826 C ASN A 115 30.252 2.564 14.874 1.00 19.53 C ATOM 827 O ASN A 115 29.762 1.553 15.393 1.00 20.45 O ATOM 828 CB ASN A 115 28.947 4.631 15.488 1.00 23.36 C ATOM 829 CG ASN A 115 28.343 5.943 15.026 1.00 23.71 C ATOM 830 OD1 ASN A 115 28.132 6.182 13.829 1.00 25.07 O ATOM 831 ND2 ASN A 115 28.073 6.802 15.995 1.00 24.81 N ATOM 0 H ASN A 115 27.401 3.207 14.189 1.00 19.75 H new ATOM 0 HA ASN A 115 29.740 4.198 13.671 1.00 21.45 H new ATOM 0 HB2 ASN A 115 28.321 4.192 16.085 1.00 23.36 H new ATOM 0 HB3 ASN A 115 29.746 4.820 16.004 1.00 23.36 H new ATOM 0 HD21 ASN A 115 27.734 7.570 15.807 1.00 24.81 H new ATOM 0 HD22 ASN A 115 28.236 6.593 16.813 1.00 24.81 H new ATOM 832 N PRO A 116 31.564 2.748 14.739 1.00 20.46 N ATOM 833 CA PRO A 116 32.216 3.971 14.306 1.00 20.92 C ATOM 834 C PRO A 116 32.550 4.096 12.819 1.00 19.05 C ATOM 835 O PRO A 116 33.323 4.977 12.467 1.00 18.97 O ATOM 836 CB PRO A 116 33.545 3.879 15.089 1.00 22.09 C ATOM 837 CG PRO A 116 33.895 2.435 14.944 1.00 21.67 C ATOM 838 CD PRO A 116 32.564 1.743 15.170 1.00 22.98 C ATOM 0 HA PRO A 116 31.633 4.731 14.461 1.00 20.92 H new ATOM 0 HB2 PRO A 116 34.228 4.457 14.714 1.00 22.09 H new ATOM 0 HB3 PRO A 116 33.437 4.134 16.019 1.00 22.09 H new ATOM 0 HG2 PRO A 116 34.258 2.239 14.066 1.00 21.67 H new ATOM 0 HG3 PRO A 116 34.560 2.159 15.594 1.00 21.67 H new ATOM 0 HD2 PRO A 116 32.495 0.927 14.651 1.00 22.98 H new ATOM 0 HD3 PRO A 116 32.444 1.498 16.101 1.00 22.98 H new ATOM 839 N TYR A 117 31.966 3.234 11.961 1.00 18.18 N ATOM 840 CA TYR A 117 32.346 3.142 10.585 1.00 18.82 C ATOM 841 C TYR A 117 31.439 3.996 9.703 1.00 19.45 C ATOM 842 O TYR A 117 30.219 4.000 9.866 1.00 17.69 O ATOM 843 CB TYR A 117 32.364 1.678 10.159 1.00 20.17 C ATOM 844 CG TYR A 117 33.285 0.856 11.019 1.00 19.55 C ATOM 845 CD1 TYR A 117 34.641 1.144 11.069 1.00 21.01 C ATOM 846 CD2 TYR A 117 32.820 -0.192 11.803 1.00 22.09 C ATOM 847 CE1 TYR A 117 35.505 0.413 11.865 1.00 20.80 C ATOM 848 CE2 TYR A 117 33.682 -0.958 12.585 1.00 23.13 C ATOM 849 CZ TYR A 117 35.033 -0.623 12.645 1.00 23.38 C ATOM 850 OH TYR A 117 35.940 -1.342 13.395 1.00 25.50 O ATOM 0 H TYR A 117 31.337 2.693 12.187 1.00 18.18 H new ATOM 0 HA TYR A 117 33.242 3.497 10.474 1.00 18.82 H new ATOM 0 HB2 TYR A 117 31.466 1.316 10.209 1.00 20.17 H new ATOM 0 HB3 TYR A 117 32.644 1.614 9.233 1.00 20.17 H new ATOM 0 HD1 TYR A 117 34.977 1.844 10.556 1.00 21.01 H new ATOM 0 HD2 TYR A 117 31.911 -0.387 11.806 1.00 22.09 H new ATOM 0 HE1 TYR A 117 36.411 0.622 11.874 1.00 20.80 H new ATOM 0 HE2 TYR A 117 33.358 -1.687 13.063 1.00 23.13 H new ATOM 0 HH TYR A 117 35.705 -1.335 14.201 1.00 25.50 H new ATOM 851 N ASN A 118 32.090 4.675 8.759 1.00 18.31 N ATOM 852 CA ASN A 118 31.388 5.498 7.738 1.00 18.94 C ATOM 853 C ASN A 118 30.410 6.425 8.447 1.00 19.57 C ATOM 854 O ASN A 118 29.244 6.540 8.109 1.00 20.23 O ATOM 855 CB ASN A 118 30.742 4.626 6.652 1.00 17.09 C ATOM 856 CG ASN A 118 31.763 3.938 5.773 1.00 17.96 C ATOM 857 OD1 ASN A 118 32.763 4.543 5.436 1.00 16.71 O ATOM 858 ND2 ASN A 118 31.477 2.727 5.295 1.00 16.86 N ATOM 0 H ASN A 118 32.947 4.679 8.683 1.00 18.31 H new ATOM 0 HA ASN A 118 32.025 6.050 7.259 1.00 18.94 H new ATOM 0 HB2 ASN A 118 30.179 3.957 7.072 1.00 17.09 H new ATOM 0 HB3 ASN A 118 30.165 5.177 6.101 1.00 17.09 H new ATOM 0 HD21 ASN A 118 32.007 2.351 4.731 1.00 16.86 H new ATOM 0 HD22 ASN A 118 30.763 2.322 5.550 1.00 16.86 H new ATOM 859 N ARG A 119 30.895 7.005 9.522 1.00 19.94 N ATOM 860 CA ARG A 119 30.187 8.150 10.097 1.00 20.58 C ATOM 861 C ARG A 119 30.033 9.230 9.015 1.00 19.64 C ATOM 862 O ARG A 119 30.757 9.273 8.014 1.00 19.16 O ATOM 863 CB ARG A 119 30.963 8.654 11.316 1.00 20.04 C ATOM 864 CG ARG A 119 30.998 7.639 12.454 1.00 23.61 C ATOM 865 CD ARG A 119 31.911 7.993 13.612 1.00 23.84 C ATOM 866 NE ARG A 119 33.324 7.882 13.263 1.00 24.47 N ATOM 867 CZ ARG A 119 34.141 8.901 13.074 1.00 23.71 C ATOM 868 NH1 ARG A 119 35.422 8.662 12.848 1.00 25.95 N ATOM 869 NH2 ARG A 119 33.676 10.142 13.139 1.00 25.86 N ATOM 0 H ARG A 119 31.612 6.768 9.933 1.00 19.94 H new ATOM 0 HA ARG A 119 29.299 7.901 10.397 1.00 20.58 H new ATOM 0 HB2 ARG A 119 31.871 8.868 11.051 1.00 20.04 H new ATOM 0 HB3 ARG A 119 30.559 9.477 11.634 1.00 20.04 H new ATOM 0 HG2 ARG A 119 30.097 7.527 12.795 1.00 23.61 H new ATOM 0 HG3 ARG A 119 31.274 6.782 12.094 1.00 23.61 H new ATOM 0 HD2 ARG A 119 31.723 8.899 13.903 1.00 23.84 H new ATOM 0 HD3 ARG A 119 31.719 7.408 14.362 1.00 23.84 H new ATOM 0 HE ARG A 119 33.649 7.091 13.174 1.00 24.47 H new ATOM 0 HH11 ARG A 119 35.711 7.852 12.826 1.00 25.95 H new ATOM 0 HH12 ARG A 119 35.966 9.316 12.723 1.00 25.95 H new ATOM 0 HH21 ARG A 119 32.844 10.281 13.304 1.00 25.86 H new ATOM 0 HH22 ARG A 119 34.207 10.807 13.016 1.00 25.86 H new ATOM 870 N GLY A 120 29.145 10.185 9.298 1.00 21.30 N ATOM 871 CA GLY A 120 28.909 11.341 8.445 1.00 23.27 C ATOM 872 C GLY A 120 27.823 11.052 7.402 1.00 23.93 C ATOM 873 O GLY A 120 26.767 10.548 7.762 1.00 27.48 O ATOM 0 H GLY A 120 28.656 10.175 10.005 1.00 21.30 H new ATOM 0 HA2 GLY A 120 28.644 12.099 8.990 1.00 23.27 H new ATOM 0 HA3 GLY A 120 29.733 11.588 7.997 1.00 23.27 H new ATOM 874 N TRP A 121 28.149 11.242 6.131 1.00 20.62 N ATOM 875 CA TRP A 121 27.154 11.324 5.039 1.00 23.83 C ATOM 876 C TRP A 121 27.006 9.990 4.308 1.00 22.53 C ATOM 877 O TRP A 121 28.016 9.399 3.952 1.00 20.63 O ATOM 878 CB TRP A 121 27.521 12.449 4.063 1.00 25.71 C ATOM 879 CG TRP A 121 27.196 13.756 4.705 1.00 36.83 C ATOM 880 CD1 TRP A 121 28.022 14.534 5.466 1.00 40.92 C ATOM 881 CD2 TRP A 121 25.887 14.344 4.799 1.00 38.29 C ATOM 882 NE1 TRP A 121 27.325 15.601 5.979 1.00 43.89 N ATOM 883 CE2 TRP A 121 26.014 15.511 5.586 1.00 42.53 C ATOM 884 CE3 TRP A 121 24.637 14.027 4.259 1.00 39.20 C ATOM 885 CZ2 TRP A 121 24.924 16.339 5.859 1.00 45.13 C ATOM 886 CZ3 TRP A 121 23.559 14.842 4.539 1.00 41.04 C ATOM 887 CH2 TRP A 121 23.700 15.976 5.335 1.00 39.59 C ATOM 0 H TRP A 121 28.962 11.329 5.863 1.00 20.62 H new ATOM 0 HA TRP A 121 26.293 11.530 5.437 1.00 23.83 H new ATOM 0 HB2 TRP A 121 28.464 12.408 3.840 1.00 25.71 H new ATOM 0 HB3 TRP A 121 27.029 12.349 3.233 1.00 25.71 H new ATOM 0 HD1 TRP A 121 28.924 14.366 5.615 1.00 40.92 H new ATOM 0 HE1 TRP A 121 27.657 16.225 6.468 1.00 43.89 H new ATOM 0 HE3 TRP A 121 24.533 13.277 3.719 1.00 39.20 H new ATOM 0 HZ2 TRP A 121 25.019 17.107 6.375 1.00 45.13 H new ATOM 0 HZ3 TRP A 121 22.723 14.630 4.190 1.00 41.04 H new ATOM 0 HH2 TRP A 121 22.953 16.500 5.517 1.00 39.59 H new ATOM 888 N TYR A 122 25.749 9.595 4.112 1.00 19.57 N ATOM 889 CA TYR A 122 25.354 8.397 3.323 1.00 19.50 C ATOM 890 C TYR A 122 26.224 7.172 3.647 1.00 16.50 C ATOM 891 O TYR A 122 26.841 6.565 2.745 1.00 16.47 O ATOM 892 CB TYR A 122 25.460 8.721 1.841 1.00 20.86 C ATOM 893 CG TYR A 122 24.750 9.976 1.401 1.00 23.54 C ATOM 894 CD1 TYR A 122 23.689 10.527 2.110 1.00 22.80 C ATOM 895 CD2 TYR A 122 25.152 10.598 0.235 1.00 25.94 C ATOM 896 CE1 TYR A 122 23.062 11.681 1.657 1.00 28.29 C ATOM 897 CE2 TYR A 122 24.534 11.738 -0.235 1.00 30.38 C ATOM 898 CZ TYR A 122 23.502 12.291 0.487 1.00 27.20 C ATOM 899 OH TYR A 122 22.944 13.426 -0.008 1.00 28.16 O ATOM 0 H TYR A 122 25.076 10.020 4.438 1.00 19.57 H new ATOM 0 HA TYR A 122 24.440 8.173 3.560 1.00 19.50 H new ATOM 0 HB2 TYR A 122 26.399 8.800 1.609 1.00 20.86 H new ATOM 0 HB3 TYR A 122 25.105 7.973 1.336 1.00 20.86 H new ATOM 0 HD1 TYR A 122 23.397 10.120 2.893 1.00 22.80 H new ATOM 0 HD2 TYR A 122 25.861 10.237 -0.248 1.00 25.94 H new ATOM 0 HE1 TYR A 122 22.351 12.044 2.134 1.00 28.29 H new ATOM 0 HE2 TYR A 122 24.812 12.129 -1.032 1.00 30.38 H new ATOM 0 HH TYR A 122 22.276 13.635 0.456 1.00 28.16 H new ATOM 900 N PRO A 123 26.129 6.700 4.873 1.00 17.28 N ATOM 901 CA PRO A 123 27.027 5.649 5.314 1.00 18.28 C ATOM 902 C PRO A 123 27.007 4.405 4.406 1.00 19.16 C ATOM 903 O PRO A 123 28.076 3.825 4.127 1.00 20.11 O ATOM 904 CB PRO A 123 26.513 5.336 6.734 1.00 18.05 C ATOM 905 CG PRO A 123 26.005 6.646 7.217 1.00 18.55 C ATOM 906 CD PRO A 123 25.368 7.267 5.992 1.00 17.20 C ATOM 0 HA PRO A 123 27.957 5.925 5.288 1.00 18.28 H new ATOM 0 HB2 PRO A 123 25.813 4.665 6.720 1.00 18.05 H new ATOM 0 HB3 PRO A 123 27.221 4.996 7.303 1.00 18.05 H new ATOM 0 HG2 PRO A 123 25.361 6.535 7.934 1.00 18.55 H new ATOM 0 HG3 PRO A 123 26.723 7.199 7.563 1.00 18.55 H new ATOM 0 HD2 PRO A 123 24.426 7.045 5.930 1.00 17.20 H new ATOM 0 HD3 PRO A 123 25.431 8.235 6.011 1.00 17.20 H new ATOM 907 N GLN A 124 25.817 3.987 3.965 1.00 18.76 N ATOM 908 CA GLN A 124 25.686 2.737 3.181 1.00 18.10 C ATOM 909 C GLN A 124 26.391 2.887 1.838 1.00 17.32 C ATOM 910 O GLN A 124 26.905 1.886 1.290 1.00 19.50 O ATOM 911 CB GLN A 124 24.237 2.270 3.030 1.00 17.78 C ATOM 912 CG GLN A 124 23.422 2.980 1.963 1.00 20.15 C ATOM 913 CD GLN A 124 23.091 4.406 2.354 1.00 19.16 C ATOM 914 OE1 GLN A 124 23.210 4.753 3.530 1.00 19.71 O ATOM 915 NE2 GLN A 124 22.718 5.234 1.362 1.00 19.44 N ATOM 0 H GLN A 124 25.077 4.403 4.103 1.00 18.76 H new ATOM 0 HA GLN A 124 26.125 2.031 3.680 1.00 18.10 H new ATOM 0 HB2 GLN A 124 24.240 1.320 2.832 1.00 17.78 H new ATOM 0 HB3 GLN A 124 23.789 2.381 3.883 1.00 17.78 H new ATOM 0 HG2 GLN A 124 23.916 2.981 1.128 1.00 20.15 H new ATOM 0 HG3 GLN A 124 22.600 2.490 1.806 1.00 20.15 H new ATOM 0 HE21 GLN A 124 22.651 4.938 0.557 1.00 19.44 H new ATOM 0 HE22 GLN A 124 22.547 6.059 1.532 1.00 19.44 H new ATOM 916 N ALA A 125 26.414 4.093 1.259 1.00 16.71 N ATOM 917 CA ALA A 125 27.090 4.268 -0.005 1.00 16.55 C ATOM 918 C ALA A 125 28.593 4.016 0.185 1.00 16.93 C ATOM 919 O ALA A 125 29.232 3.308 -0.618 1.00 18.08 O ATOM 920 CB ALA A 125 26.817 5.641 -0.550 1.00 16.87 C ATOM 0 H ALA A 125 26.049 4.802 1.582 1.00 16.71 H new ATOM 0 HA ALA A 125 26.755 3.628 -0.653 1.00 16.55 H new ATOM 0 HB1 ALA A 125 27.275 5.750 -1.398 1.00 16.87 H new ATOM 0 HB2 ALA A 125 25.863 5.753 -0.681 1.00 16.87 H new ATOM 0 HB3 ALA A 125 27.137 6.308 0.077 1.00 16.87 H new ATOM 921 N PHE A 126 29.147 4.620 1.220 1.00 17.32 N ATOM 922 CA PHE A 126 30.603 4.416 1.500 1.00 18.25 C ATOM 923 C PHE A 126 30.875 2.955 1.911 1.00 17.96 C ATOM 924 O PHE A 126 31.928 2.409 1.581 1.00 18.66 O ATOM 925 CB PHE A 126 31.089 5.448 2.525 1.00 18.20 C ATOM 926 CG PHE A 126 31.121 6.826 1.908 1.00 19.03 C ATOM 927 CD1 PHE A 126 32.180 7.208 1.101 1.00 20.07 C ATOM 928 CD2 PHE A 126 30.070 7.711 2.106 1.00 19.23 C ATOM 929 CE1 PHE A 126 32.209 8.452 0.493 1.00 21.90 C ATOM 930 CE2 PHE A 126 30.076 8.942 1.468 1.00 19.74 C ATOM 931 CZ PHE A 126 31.154 9.317 0.676 1.00 21.21 C ATOM 0 H PHE A 126 28.735 5.139 1.768 1.00 17.32 H new ATOM 0 HA PHE A 126 31.120 4.565 0.693 1.00 18.25 H new ATOM 0 HB2 PHE A 126 30.502 5.446 3.298 1.00 18.20 H new ATOM 0 HB3 PHE A 126 31.974 5.208 2.840 1.00 18.20 H new ATOM 0 HD1 PHE A 126 32.885 6.617 0.965 1.00 20.07 H new ATOM 0 HD2 PHE A 126 29.364 7.479 2.665 1.00 19.23 H new ATOM 0 HE1 PHE A 126 32.934 8.700 -0.034 1.00 21.90 H new ATOM 0 HE2 PHE A 126 29.355 9.520 1.571 1.00 19.74 H new ATOM 0 HZ PHE A 126 31.163 10.153 0.269 1.00 21.21 H new ATOM 932 N SER A 127 29.945 2.305 2.583 1.00 17.03 N ATOM 933 CA SER A 127 30.097 0.864 2.922 1.00 18.38 C ATOM 934 C SER A 127 30.167 -0.032 1.669 1.00 17.91 C ATOM 935 O SER A 127 30.951 -1.025 1.602 1.00 16.35 O ATOM 936 CB SER A 127 29.005 0.389 3.859 1.00 18.81 C ATOM 937 OG SER A 127 29.305 0.765 5.192 1.00 19.47 O ATOM 0 H SER A 127 29.213 2.661 2.860 1.00 17.03 H new ATOM 0 HA SER A 127 30.947 0.783 3.383 1.00 18.38 H new ATOM 0 HB2 SER A 127 28.153 0.769 3.593 1.00 18.81 H new ATOM 0 HB3 SER A 127 28.916 -0.575 3.800 1.00 18.81 H new ATOM 0 HG SER A 127 29.716 0.140 5.574 1.00 19.47 H new ATOM 938 N ILE A 128 29.399 0.314 0.640 1.00 16.31 N ATOM 939 CA ILE A 128 29.514 -0.363 -0.626 1.00 17.13 C ATOM 940 C ILE A 128 30.909 -0.141 -1.230 1.00 18.81 C ATOM 941 O ILE A 128 31.467 -1.069 -1.781 1.00 19.34 O ATOM 942 CB ILE A 128 28.378 0.061 -1.575 1.00 16.94 C ATOM 943 CG1 ILE A 128 27.019 -0.446 -1.078 1.00 17.08 C ATOM 944 CG2 ILE A 128 28.712 -0.358 -2.989 1.00 17.73 C ATOM 945 CD1 ILE A 128 25.787 0.095 -1.821 1.00 19.67 C ATOM 0 H ILE A 128 28.808 0.939 0.663 1.00 16.31 H new ATOM 0 HA ILE A 128 29.417 -1.318 -0.486 1.00 17.13 H new ATOM 0 HB ILE A 128 28.299 1.028 -1.581 1.00 16.94 H new ATOM 0 HG12 ILE A 128 27.013 -1.414 -1.139 1.00 17.08 H new ATOM 0 HG13 ILE A 128 26.933 -0.221 -0.138 1.00 17.08 H new ATOM 0 HG21 ILE A 128 27.995 -0.090 -3.584 1.00 17.73 H new ATOM 0 HG22 ILE A 128 29.538 0.068 -3.266 1.00 17.73 H new ATOM 0 HG23 ILE A 128 28.818 -1.322 -3.025 1.00 17.73 H new ATOM 0 HD11 ILE A 128 24.983 -0.284 -1.433 1.00 19.67 H new ATOM 0 HD12 ILE A 128 25.760 1.061 -1.742 1.00 19.67 H new ATOM 0 HD13 ILE A 128 25.840 -0.151 -2.758 1.00 19.67 H new ATOM 946 N ILE A 129 31.463 1.061 -1.123 1.00 18.48 N ATOM 947 CA ILE A 129 32.808 1.333 -1.621 1.00 19.56 C ATOM 948 C ILE A 129 33.863 0.590 -0.794 1.00 22.00 C ATOM 949 O ILE A 129 34.750 -0.077 -1.382 1.00 23.11 O ATOM 950 CB ILE A 129 33.118 2.839 -1.584 1.00 20.99 C ATOM 951 CG1 ILE A 129 32.133 3.642 -2.435 1.00 21.11 C ATOM 952 CG2 ILE A 129 34.598 3.119 -1.943 1.00 21.16 C ATOM 953 CD1 ILE A 129 32.326 3.535 -3.900 1.00 21.94 C ATOM 0 H ILE A 129 31.074 1.738 -0.763 1.00 18.48 H new ATOM 0 HA ILE A 129 32.840 1.021 -2.539 1.00 19.56 H new ATOM 0 HB ILE A 129 32.994 3.146 -0.672 1.00 20.99 H new ATOM 0 HG12 ILE A 129 31.233 3.352 -2.221 1.00 21.11 H new ATOM 0 HG13 ILE A 129 32.198 4.576 -2.183 1.00 21.11 H new ATOM 0 HG21 ILE A 129 34.764 4.074 -1.912 1.00 21.16 H new ATOM 0 HG22 ILE A 129 35.176 2.670 -1.307 1.00 21.16 H new ATOM 0 HG23 ILE A 129 34.783 2.788 -2.836 1.00 21.16 H new ATOM 0 HD11 ILE A 129 31.660 4.074 -4.355 1.00 21.94 H new ATOM 0 HD12 ILE A 129 33.212 3.852 -4.134 1.00 21.94 H new ATOM 0 HD13 ILE A 129 32.232 2.609 -4.172 1.00 21.94 H new ATOM 954 N ASN A 130 33.829 0.728 0.532 1.00 20.23 N ATOM 955 CA ASN A 130 35.007 0.319 1.340 1.00 22.01 C ATOM 956 C ASN A 130 34.774 -1.003 2.099 1.00 21.82 C ATOM 957 O ASN A 130 35.658 -1.482 2.758 1.00 22.44 O ATOM 958 CB ASN A 130 35.465 1.495 2.207 1.00 19.89 C ATOM 959 CG ASN A 130 34.426 1.992 3.164 1.00 18.43 C ATOM 960 OD1 ASN A 130 33.589 1.236 3.662 1.00 19.09 O ATOM 961 ND2 ASN A 130 34.552 3.261 3.495 1.00 17.89 N ATOM 0 H ASN A 130 33.165 1.043 0.979 1.00 20.23 H new ATOM 0 HA ASN A 130 35.747 0.106 0.750 1.00 22.01 H new ATOM 0 HB2 ASN A 130 36.251 1.227 2.709 1.00 19.89 H new ATOM 0 HB3 ASN A 130 35.733 2.226 1.628 1.00 19.89 H new ATOM 0 HD21 ASN A 130 34.033 3.604 4.089 1.00 17.89 H new ATOM 0 HD22 ASN A 130 35.153 3.746 3.117 1.00 17.89 H new ATOM 962 N GLY A 131 33.573 -1.583 2.024 1.00 20.12 N ATOM 963 CA GLY A 131 33.244 -2.869 2.656 1.00 20.35 C ATOM 964 C GLY A 131 33.124 -2.839 4.178 1.00 21.03 C ATOM 965 O GLY A 131 32.995 -3.902 4.811 1.00 20.47 O ATOM 0 H GLY A 131 32.913 -1.234 1.597 1.00 20.12 H new ATOM 0 HA2 GLY A 131 32.406 -3.188 2.287 1.00 20.35 H new ATOM 0 HA3 GLY A 131 33.925 -3.515 2.413 1.00 20.35 H new ATOM 966 N LEU A 132 33.115 -1.642 4.783 1.00 19.90 N ATOM 967 CA LEU A 132 32.922 -1.482 6.218 1.00 21.54 C ATOM 968 C LEU A 132 31.460 -1.727 6.610 1.00 19.26 C ATOM 969 O LEU A 132 30.552 -1.547 5.818 1.00 20.69 O ATOM 970 CB LEU A 132 33.411 -0.101 6.659 1.00 20.93 C ATOM 971 CG LEU A 132 34.896 0.177 6.418 1.00 23.89 C ATOM 972 CD1 LEU A 132 35.219 1.610 6.804 1.00 24.08 C ATOM 973 CD2 LEU A 132 35.795 -0.803 7.186 1.00 24.81 C ATOM 0 H LEU A 132 33.222 -0.900 4.362 1.00 19.90 H new ATOM 0 HA LEU A 132 33.451 -2.149 6.683 1.00 21.54 H new ATOM 0 HB2 LEU A 132 32.892 0.573 6.193 1.00 20.93 H new ATOM 0 HB3 LEU A 132 33.227 0.003 7.606 1.00 20.93 H new ATOM 0 HG LEU A 132 35.075 0.049 5.473 1.00 23.89 H new ATOM 0 HD11 LEU A 132 36.161 1.782 6.650 1.00 24.08 H new ATOM 0 HD12 LEU A 132 34.687 2.218 6.267 1.00 24.08 H new ATOM 0 HD13 LEU A 132 35.015 1.746 7.742 1.00 24.08 H new ATOM 0 HD21 LEU A 132 36.726 -0.596 7.009 1.00 24.81 H new ATOM 0 HD22 LEU A 132 35.622 -0.724 8.137 1.00 24.81 H new ATOM 0 HD23 LEU A 132 35.606 -1.710 6.898 1.00 24.81 H new ATOM 974 N PRO A 133 31.236 -2.184 7.827 1.00 20.41 N ATOM 975 CA PRO A 133 29.925 -2.539 8.356 1.00 20.59 C ATOM 976 C PRO A 133 28.990 -1.332 8.314 1.00 20.59 C ATOM 977 O PRO A 133 29.434 -0.185 8.426 1.00 19.93 O ATOM 978 CB PRO A 133 30.164 -2.949 9.812 1.00 21.42 C ATOM 979 CG PRO A 133 31.605 -3.381 9.812 1.00 21.79 C ATOM 980 CD PRO A 133 32.251 -2.374 8.899 1.00 23.08 C ATOM 0 HA PRO A 133 29.514 -3.248 7.837 1.00 20.59 H new ATOM 0 HB2 PRO A 133 30.011 -2.211 10.422 1.00 21.42 H new ATOM 0 HB3 PRO A 133 29.574 -3.669 10.084 1.00 21.42 H new ATOM 0 HG2 PRO A 133 31.988 -3.358 10.703 1.00 21.79 H new ATOM 0 HG3 PRO A 133 31.710 -4.287 9.481 1.00 21.79 H new ATOM 0 HD2 PRO A 133 32.443 -1.543 9.361 1.00 23.08 H new ATOM 0 HD3 PRO A 133 33.092 -2.701 8.542 1.00 23.08 H new ATOM 981 N THR A 134 27.712 -1.605 8.107 1.00 19.43 N ATOM 982 CA THR A 134 26.737 -0.514 8.239 1.00 20.18 C ATOM 983 C THR A 134 25.478 -1.072 8.902 1.00 19.37 C ATOM 984 O THR A 134 25.403 -2.248 9.301 1.00 20.43 O ATOM 985 CB THR A 134 26.471 0.202 6.902 1.00 22.83 C ATOM 986 OG1 THR A 134 25.913 1.490 7.206 1.00 23.29 O ATOM 987 CG2 THR A 134 25.563 -0.579 5.985 1.00 22.37 C ATOM 0 H THR A 134 27.391 -2.375 7.898 1.00 19.43 H new ATOM 0 HA THR A 134 27.098 0.184 8.808 1.00 20.18 H new ATOM 0 HB THR A 134 27.308 0.290 6.419 1.00 22.83 H new ATOM 0 HG1 THR A 134 26.473 1.944 7.637 1.00 23.29 H new ATOM 0 HG21 THR A 134 25.430 -0.083 5.162 1.00 22.37 H new ATOM 0 HG22 THR A 134 25.967 -1.438 5.784 1.00 22.37 H new ATOM 0 HG23 THR A 134 24.707 -0.719 6.419 1.00 22.37 H new ATOM 988 N GLY A 135 24.562 -0.156 9.138 1.00 17.20 N ATOM 989 CA GLY A 135 23.425 -0.387 9.984 1.00 18.74 C ATOM 990 C GLY A 135 22.977 0.939 10.579 1.00 19.20 C ATOM 991 O GLY A 135 23.141 1.961 9.927 1.00 17.29 O ATOM 0 H GLY A 135 24.588 0.635 8.801 1.00 17.20 H new ATOM 0 HA2 GLY A 135 22.703 -0.787 9.474 1.00 18.74 H new ATOM 0 HA3 GLY A 135 23.654 -1.012 10.690 1.00 18.74 H new ATOM 992 N ALA A 136 22.424 0.908 11.790 1.00 19.35 N ATOM 993 CA ALA A 136 21.922 2.109 12.457 1.00 20.98 C ATOM 994 C ALA A 136 22.462 2.165 13.883 1.00 21.33 C ATOM 995 O ALA A 136 22.784 1.102 14.505 1.00 20.45 O ATOM 996 CB ALA A 136 20.417 2.086 12.458 1.00 21.73 C ATOM 0 H ALA A 136 22.329 0.187 12.250 1.00 19.35 H new ATOM 0 HA ALA A 136 22.222 2.900 11.983 1.00 20.98 H new ATOM 0 HB1 ALA A 136 20.081 2.882 12.900 1.00 21.73 H new ATOM 0 HB2 ALA A 136 20.093 2.063 11.544 1.00 21.73 H new ATOM 0 HB3 ALA A 136 20.106 1.298 12.931 1.00 21.73 H new ATOM 997 N THR A 137 22.492 3.380 14.412 1.00 20.82 N ATOM 998 CA THR A 137 23.060 3.666 15.726 1.00 18.62 C ATOM 999 C THR A 137 22.261 4.781 16.403 1.00 20.48 C ATOM 1000 O THR A 137 21.936 5.758 15.743 1.00 18.46 O ATOM 1001 CB THR A 137 24.499 4.147 15.608 1.00 19.26 C ATOM 1002 OG1 THR A 137 25.346 3.224 14.941 1.00 18.23 O ATOM 1003 CG2 THR A 137 25.121 4.429 16.958 1.00 20.43 C ATOM 0 H THR A 137 22.178 4.074 14.013 1.00 20.82 H new ATOM 0 HA THR A 137 23.027 2.846 16.243 1.00 18.62 H new ATOM 0 HB THR A 137 24.434 4.962 15.086 1.00 19.26 H new ATOM 0 HG1 THR A 137 25.211 3.267 14.113 1.00 18.23 H new ATOM 0 HG21 THR A 137 26.034 4.732 16.837 1.00 20.43 H new ATOM 0 HG22 THR A 137 24.610 5.117 17.412 1.00 20.43 H new ATOM 0 HG23 THR A 137 25.118 3.619 17.492 1.00 20.43 H new ATOM 1004 N ILE A 138 21.930 4.592 17.668 1.00 18.76 N ATOM 1005 CA ILE A 138 21.409 5.651 18.523 1.00 19.63 C ATOM 1006 C ILE A 138 22.520 6.020 19.505 1.00 20.13 C ATOM 1007 O ILE A 138 23.018 5.138 20.246 1.00 20.33 O ATOM 1008 CB ILE A 138 20.139 5.199 19.257 1.00 20.10 C ATOM 1009 CG1 ILE A 138 19.097 4.635 18.299 1.00 19.80 C ATOM 1010 CG2 ILE A 138 19.592 6.335 20.133 1.00 20.26 C ATOM 1011 CD1 ILE A 138 17.827 4.124 18.997 1.00 19.63 C ATOM 0 H ILE A 138 22.002 3.832 18.064 1.00 18.76 H new ATOM 0 HA ILE A 138 21.154 6.423 17.994 1.00 19.63 H new ATOM 0 HB ILE A 138 20.374 4.467 19.848 1.00 20.10 H new ATOM 0 HG12 ILE A 138 18.851 5.322 17.660 1.00 19.80 H new ATOM 0 HG13 ILE A 138 19.494 3.908 17.794 1.00 19.80 H new ATOM 0 HG21 ILE A 138 18.791 6.035 20.590 1.00 20.26 H new ATOM 0 HG22 ILE A 138 20.261 6.590 20.788 1.00 20.26 H new ATOM 0 HG23 ILE A 138 19.378 7.100 19.576 1.00 20.26 H new ATOM 0 HD11 ILE A 138 17.209 3.780 18.333 1.00 19.63 H new ATOM 0 HD12 ILE A 138 18.061 3.416 19.617 1.00 19.63 H new ATOM 0 HD13 ILE A 138 17.408 4.853 19.482 1.00 19.63 H new ATOM 1012 N HIS A 139 22.944 7.290 19.488 1.00 20.50 N ATOM 1013 CA HIS A 139 24.092 7.705 20.328 1.00 20.46 C ATOM 1014 C HIS A 139 23.871 9.106 20.911 1.00 21.54 C ATOM 1015 O HIS A 139 23.081 9.894 20.401 1.00 17.79 O ATOM 1016 CB HIS A 139 25.404 7.625 19.540 1.00 20.11 C ATOM 1017 CG HIS A 139 25.509 8.622 18.440 1.00 20.73 C ATOM 1018 ND1 HIS A 139 25.962 9.899 18.643 1.00 21.92 N ATOM 1019 CD2 HIS A 139 25.273 8.512 17.116 1.00 22.13 C ATOM 1020 CE1 HIS A 139 26.001 10.533 17.490 1.00 23.29 C ATOM 1021 NE2 HIS A 139 25.561 9.722 16.545 1.00 21.13 N ATOM 0 H HIS A 139 22.595 7.916 19.012 1.00 20.50 H new ATOM 0 HA HIS A 139 24.159 7.087 21.073 1.00 20.46 H new ATOM 0 HB2 HIS A 139 26.146 7.752 20.151 1.00 20.11 H new ATOM 0 HB3 HIS A 139 25.493 6.734 19.167 1.00 20.11 H new ATOM 0 HD1 HIS A 139 26.185 10.233 19.403 1.00 21.92 H new ATOM 0 HD2 HIS A 139 24.970 7.753 16.673 1.00 22.13 H new ATOM 0 HE1 HIS A 139 26.291 11.407 17.362 1.00 23.29 H new ATOM 1022 N LEU A 140 24.567 9.380 22.020 1.00 20.42 N ATOM 1023 CA LEU A 140 24.536 10.710 22.645 1.00 22.00 C ATOM 1024 C LEU A 140 25.315 11.687 21.766 1.00 21.50 C ATOM 1025 O LEU A 140 26.301 11.310 21.065 1.00 22.14 O ATOM 1026 CB LEU A 140 25.202 10.676 24.034 1.00 24.38 C ATOM 1027 CG LEU A 140 24.627 9.666 25.026 1.00 24.52 C ATOM 1028 CD1 LEU A 140 25.330 9.783 26.379 1.00 27.94 C ATOM 1029 CD2 LEU A 140 23.126 9.857 25.189 1.00 25.43 C ATOM 0 H LEU A 140 25.064 8.809 22.427 1.00 20.42 H new ATOM 0 HA LEU A 140 23.611 10.986 22.740 1.00 22.00 H new ATOM 0 HB2 LEU A 140 26.146 10.486 23.916 1.00 24.38 H new ATOM 0 HB3 LEU A 140 25.138 11.561 24.426 1.00 24.38 H new ATOM 0 HG LEU A 140 24.782 8.776 24.673 1.00 24.52 H new ATOM 0 HD11 LEU A 140 24.954 9.136 26.996 1.00 27.94 H new ATOM 0 HD12 LEU A 140 26.278 9.610 26.267 1.00 27.94 H new ATOM 0 HD13 LEU A 140 25.205 10.677 26.733 1.00 27.94 H new ATOM 0 HD21 LEU A 140 22.784 9.206 25.822 1.00 25.43 H new ATOM 0 HD22 LEU A 140 22.947 10.752 25.517 1.00 25.43 H new ATOM 0 HD23 LEU A 140 22.689 9.734 24.332 1.00 25.43 H new ATOM 1030 N MET A 141 24.939 12.959 21.862 1.00 21.02 N ATOM 1031 CA MET A 141 25.625 13.997 21.106 1.00 25.28 C ATOM 1032 C MET A 141 26.437 14.872 22.061 1.00 28.01 C ATOM 1033 O MET A 141 25.922 15.443 23.057 1.00 29.64 O ATOM 1034 CB MET A 141 24.641 14.848 20.292 1.00 23.09 C ATOM 1035 CG MET A 141 23.702 14.001 19.477 1.00 22.61 C ATOM 1036 SD MET A 141 22.372 14.939 18.665 1.00 21.78 S ATOM 1037 CE MET A 141 23.325 15.909 17.506 1.00 24.19 C ATOM 0 H MET A 141 24.293 13.239 22.356 1.00 21.02 H new ATOM 0 HA MET A 141 26.224 13.570 20.474 1.00 25.28 H new ATOM 0 HB2 MET A 141 24.128 15.411 20.893 1.00 23.09 H new ATOM 0 HB3 MET A 141 25.136 15.439 19.703 1.00 23.09 H new ATOM 0 HG2 MET A 141 24.212 13.529 18.800 1.00 22.61 H new ATOM 0 HG3 MET A 141 23.306 13.329 20.053 1.00 22.61 H new ATOM 0 HE1 MET A 141 22.726 16.353 16.885 1.00 24.19 H new ATOM 0 HE2 MET A 141 23.841 16.574 17.988 1.00 24.19 H new ATOM 0 HE3 MET A 141 23.926 15.328 17.015 1.00 24.19 H new ATOM 1038 N ASP A 142 27.717 14.934 21.767 1.00 35.14 N ATOM 1039 CA ASP A 142 28.666 15.551 22.687 1.00 44.47 C ATOM 1040 C ASP A 142 29.612 16.445 21.876 1.00 46.11 C ATOM 1041 O ASP A 142 30.083 16.070 20.798 1.00 46.31 O ATOM 1042 CB ASP A 142 29.370 14.473 23.517 1.00 51.15 C ATOM 1043 CG ASP A 142 30.531 14.961 24.382 1.00 58.79 C ATOM 1044 OD1 ASP A 142 30.746 16.183 24.479 1.00 61.35 O ATOM 1045 OD2 ASP A 142 31.227 14.102 24.950 1.00 63.51 O ATOM 0 H ASP A 142 28.064 14.627 21.042 1.00 35.14 H new ATOM 0 HA ASP A 142 28.220 16.120 23.334 1.00 44.47 H new ATOM 0 HB2 ASP A 142 28.714 14.051 24.093 1.00 51.15 H new ATOM 0 HB3 ASP A 142 29.701 13.789 22.915 1.00 51.15 H new ATOM 1046 N ALA A 143 29.835 17.649 22.394 1.00 52.80 N ATOM 1047 CA ALA A 143 30.731 18.616 21.760 1.00 54.80 C ATOM 1048 C ALA A 143 32.183 18.228 22.070 1.00 55.34 C ATOM 1049 O ALA A 143 32.960 17.948 21.162 1.00 55.33 O ATOM 1050 CB ALA A 143 30.406 20.010 22.245 1.00 53.77 C ATOM 0 H ALA A 143 29.473 17.930 23.122 1.00 52.80 H new ATOM 0 HA ALA A 143 30.612 18.607 20.797 1.00 54.80 H new ATOM 0 HB1 ALA A 143 31.003 20.647 21.822 1.00 53.77 H new ATOM 0 HB2 ALA A 143 29.488 20.226 22.017 1.00 53.77 H new ATOM 0 HB3 ALA A 143 30.518 20.052 23.208 1.00 53.77 H new ATOM 1051 N ASP A 146 33.267 14.017 18.881 1.00 67.95 N ATOM 1052 CA ASP A 146 33.286 13.321 17.590 1.00 72.06 C ATOM 1053 C ASP A 146 32.456 12.029 17.671 1.00 71.31 C ATOM 1054 O ASP A 146 31.745 11.687 16.730 1.00 76.49 O ATOM 1055 CB ASP A 146 34.722 13.006 17.152 1.00 75.26 C ATOM 1056 CG ASP A 146 35.110 13.584 15.798 1.00 77.55 C ATOM 1057 OD1 ASP A 146 34.859 14.783 15.584 1.00 72.79 O ATOM 1058 OD2 ASP A 146 35.667 12.829 14.968 1.00 79.65 O ATOM 0 HA ASP A 146 32.892 13.907 16.925 1.00 72.06 H new ATOM 0 HB2 ASP A 146 35.335 13.345 17.823 1.00 75.26 H new ATOM 0 HB3 ASP A 146 34.836 12.043 17.125 1.00 75.26 H new ATOM 1059 N HIS A 147 32.550 11.323 18.797 1.00 67.53 N ATOM 1060 CA HIS A 147 32.021 9.959 18.934 1.00 60.56 C ATOM 1061 C HIS A 147 31.143 9.826 20.181 1.00 48.13 C ATOM 1062 O HIS A 147 31.631 9.390 21.220 1.00 54.15 O ATOM 1063 CB HIS A 147 33.175 8.964 19.109 1.00 62.48 C ATOM 1064 CG HIS A 147 33.895 8.582 17.868 1.00 63.62 C ATOM 1065 ND1 HIS A 147 34.844 9.403 17.281 1.00 66.38 N ATOM 1066 CD2 HIS A 147 33.871 7.437 17.154 1.00 57.91 C ATOM 1067 CE1 HIS A 147 35.355 8.783 16.241 1.00 61.75 C ATOM 1068 NE2 HIS A 147 34.776 7.576 16.146 1.00 58.10 N ATOM 0 H HIS A 147 32.925 11.622 19.511 1.00 67.53 H new ATOM 0 HA HIS A 147 31.505 9.774 18.134 1.00 60.56 H new ATOM 0 HB2 HIS A 147 33.816 9.344 19.730 1.00 62.48 H new ATOM 0 HB3 HIS A 147 32.825 8.158 19.520 1.00 62.48 H new ATOM 0 HD2 HIS A 147 33.337 6.694 17.319 1.00 57.91 H new ATOM 0 HE1 HIS A 147 36.006 9.122 15.669 1.00 61.75 H new ATOM 0 HE2 HIS A 147 34.949 6.985 15.545 1.00 58.10 H new ATOM 1069 N GLY A 148 29.870 10.146 20.106 1.00 39.14 N ATOM 1070 CA GLY A 148 29.059 10.026 21.304 1.00 35.47 C ATOM 1071 C GLY A 148 28.923 8.578 21.752 1.00 32.16 C ATOM 1072 O GLY A 148 28.966 7.637 20.954 1.00 27.98 O ATOM 0 H GLY A 148 29.463 10.425 19.401 1.00 39.14 H new ATOM 0 HA2 GLY A 148 29.457 10.549 22.017 1.00 35.47 H new ATOM 0 HA3 GLY A 148 28.178 10.397 21.137 1.00 35.47 H new ATOM 1073 N ASP A 149 28.746 8.387 23.047 1.00 25.42 N ATOM 1074 CA ASP A 149 28.521 7.050 23.572 1.00 26.03 C ATOM 1075 C ASP A 149 27.224 6.465 22.985 1.00 22.26 C ATOM 1076 O ASP A 149 26.202 7.166 22.785 1.00 19.83 O ATOM 1077 CB ASP A 149 28.442 7.053 25.104 1.00 29.73 C ATOM 1078 CG ASP A 149 29.762 7.375 25.788 1.00 33.25 C ATOM 1079 OD1 ASP A 149 30.798 7.367 25.106 1.00 36.15 O ATOM 1080 OD2 ASP A 149 29.732 7.611 26.994 1.00 40.89 O ATOM 0 H ASP A 149 28.752 9.012 23.637 1.00 25.42 H new ATOM 0 HA ASP A 149 29.275 6.498 23.311 1.00 26.03 H new ATOM 0 HB2 ASP A 149 27.776 7.701 25.384 1.00 29.73 H new ATOM 0 HB3 ASP A 149 28.135 6.183 25.405 1.00 29.73 H new ATOM 1081 N ILE A 150 27.248 5.161 22.786 1.00 20.25 N ATOM 1082 CA ILE A 150 26.176 4.475 22.067 1.00 22.04 C ATOM 1083 C ILE A 150 25.127 3.918 23.043 1.00 23.50 C ATOM 1084 O ILE A 150 25.454 3.181 24.002 1.00 22.31 O ATOM 1085 CB ILE A 150 26.783 3.355 21.196 1.00 23.25 C ATOM 1086 CG1 ILE A 150 27.663 3.939 20.083 1.00 25.33 C ATOM 1087 CG2 ILE A 150 25.686 2.439 20.668 1.00 21.43 C ATOM 1088 CD1 ILE A 150 28.611 2.944 19.458 1.00 28.53 C ATOM 0 H ILE A 150 27.879 4.645 23.059 1.00 20.25 H new ATOM 0 HA ILE A 150 25.721 5.109 21.491 1.00 22.04 H new ATOM 0 HB ILE A 150 27.367 2.809 21.745 1.00 23.25 H new ATOM 0 HG12 ILE A 150 27.091 4.305 19.390 1.00 25.33 H new ATOM 0 HG13 ILE A 150 28.177 4.677 20.445 1.00 25.33 H new ATOM 0 HG21 ILE A 150 26.082 1.741 20.123 1.00 21.43 H new ATOM 0 HG22 ILE A 150 25.213 2.038 21.413 1.00 21.43 H new ATOM 0 HG23 ILE A 150 25.064 2.955 20.131 1.00 21.43 H new ATOM 0 HD11 ILE A 150 29.131 3.383 18.767 1.00 28.53 H new ATOM 0 HD12 ILE A 150 29.207 2.594 20.138 1.00 28.53 H new ATOM 0 HD13 ILE A 150 28.104 2.215 19.067 1.00 28.53 H new ATOM 1089 N ILE A 151 23.860 4.171 22.711 1.00 20.24 N ATOM 1090 CA ILE A 151 22.720 3.633 23.423 1.00 22.43 C ATOM 1091 C ILE A 151 22.361 2.255 22.849 1.00 24.21 C ATOM 1092 O ILE A 151 22.196 1.310 23.615 1.00 21.70 O ATOM 1093 CB ILE A 151 21.543 4.619 23.379 1.00 23.42 C ATOM 1094 CG1 ILE A 151 21.907 5.897 24.133 1.00 23.68 C ATOM 1095 CG2 ILE A 151 20.267 3.960 23.900 1.00 24.89 C ATOM 1096 CD1 ILE A 151 20.856 6.996 24.091 1.00 24.29 C ATOM 0 H ILE A 151 23.643 4.674 22.048 1.00 20.24 H new ATOM 0 HA ILE A 151 22.943 3.512 24.359 1.00 22.43 H new ATOM 0 HB ILE A 151 21.363 4.871 22.460 1.00 23.42 H new ATOM 0 HG12 ILE A 151 22.080 5.670 25.060 1.00 23.68 H new ATOM 0 HG13 ILE A 151 22.735 6.247 23.767 1.00 23.68 H new ATOM 0 HG21 ILE A 151 19.536 4.597 23.865 1.00 24.89 H new ATOM 0 HG22 ILE A 151 20.052 3.191 23.350 1.00 24.89 H new ATOM 0 HG23 ILE A 151 20.402 3.674 24.817 1.00 24.89 H new ATOM 0 HD11 ILE A 151 21.171 7.764 24.593 1.00 24.29 H new ATOM 0 HD12 ILE A 151 20.695 7.255 23.170 1.00 24.29 H new ATOM 0 HD13 ILE A 151 20.031 6.670 24.483 1.00 24.29 H new ATOM 1097 N ASP A 152 22.266 2.124 21.532 1.00 20.36 N ATOM 1098 CA ASP A 152 22.034 0.837 20.896 1.00 21.48 C ATOM 1099 C ASP A 152 22.450 1.015 19.434 1.00 21.57 C ATOM 1100 O ASP A 152 22.523 2.145 18.923 1.00 19.49 O ATOM 1101 CB ASP A 152 20.580 0.372 21.038 1.00 21.04 C ATOM 1102 CG ASP A 152 20.298 -1.118 20.827 1.00 21.55 C ATOM 1103 OD1 ASP A 152 19.115 -1.503 20.799 1.00 20.73 O ATOM 1104 OD2 ASP A 152 21.235 -1.852 20.617 1.00 22.23 O ATOM 0 H ASP A 152 22.335 2.781 20.981 1.00 20.36 H new ATOM 0 HA ASP A 152 22.553 0.137 21.323 1.00 21.48 H new ATOM 0 HB2 ASP A 152 20.273 0.613 21.926 1.00 21.04 H new ATOM 0 HB3 ASP A 152 20.041 0.872 20.405 1.00 21.04 H new ATOM 1105 N GLN A 153 22.755 -0.089 18.792 1.00 19.52 N ATOM 1106 CA GLN A 153 23.049 -0.108 17.350 1.00 22.06 C ATOM 1107 C GLN A 153 22.816 -1.532 16.810 1.00 21.93 C ATOM 1108 O GLN A 153 22.790 -2.500 17.595 1.00 22.37 O ATOM 1109 CB GLN A 153 24.468 0.398 17.076 1.00 21.52 C ATOM 1110 CG GLN A 153 25.572 -0.522 17.593 1.00 24.26 C ATOM 1111 CD GLN A 153 26.962 -0.001 17.316 1.00 26.25 C ATOM 1112 OE1 GLN A 153 27.934 -0.476 17.898 1.00 28.59 O ATOM 1113 NE2 GLN A 153 27.078 1.031 16.492 1.00 24.29 N ATOM 0 H GLN A 153 22.802 -0.861 19.169 1.00 19.52 H new ATOM 0 HA GLN A 153 22.451 0.496 16.882 1.00 22.06 H new ATOM 0 HB2 GLN A 153 24.580 0.515 16.120 1.00 21.52 H new ATOM 0 HB3 GLN A 153 24.573 1.272 17.483 1.00 21.52 H new ATOM 0 HG2 GLN A 153 25.463 -0.642 18.549 1.00 24.26 H new ATOM 0 HG3 GLN A 153 25.474 -1.396 17.184 1.00 24.26 H new ATOM 0 HE21 GLN A 153 26.382 1.346 16.096 1.00 24.29 H new ATOM 0 HE22 GLN A 153 27.849 1.386 16.353 1.00 24.29 H new ATOM 1114 N GLN A 154 22.628 -1.681 15.506 1.00 19.13 N ATOM 1115 CA GLN A 154 22.482 -3.004 14.931 1.00 20.35 C ATOM 1116 C GLN A 154 22.941 -2.963 13.469 1.00 22.84 C ATOM 1117 O GLN A 154 22.614 -2.041 12.718 1.00 21.20 O ATOM 1118 CB GLN A 154 21.041 -3.494 15.044 1.00 23.58 C ATOM 1119 CG GLN A 154 20.826 -4.858 14.405 1.00 30.13 C ATOM 1120 CD GLN A 154 19.581 -5.521 14.927 1.00 36.85 C ATOM 1121 OE1 GLN A 154 19.024 -5.143 15.957 1.00 45.81 O ATOM 1122 NE2 GLN A 154 19.094 -6.486 14.171 1.00 42.17 N ATOM 0 H GLN A 154 22.582 -1.033 14.942 1.00 19.13 H new ATOM 0 HA GLN A 154 23.035 -3.632 15.422 1.00 20.35 H new ATOM 0 HB2 GLN A 154 20.792 -3.538 15.980 1.00 23.58 H new ATOM 0 HB3 GLN A 154 20.451 -2.849 14.624 1.00 23.58 H new ATOM 0 HG2 GLN A 154 20.762 -4.759 13.442 1.00 30.13 H new ATOM 0 HG3 GLN A 154 21.594 -5.424 14.582 1.00 30.13 H new ATOM 0 HE21 GLN A 154 19.510 -6.725 13.457 1.00 42.17 H new ATOM 0 HE22 GLN A 154 18.360 -6.876 14.392 1.00 42.17 H new ATOM 1123 N GLU A 155 23.700 -3.994 13.099 1.00 22.31 N ATOM 1124 CA GLU A 155 24.301 -4.131 11.782 1.00 22.88 C ATOM 1125 C GLU A 155 23.266 -4.701 10.810 1.00 23.44 C ATOM 1126 O GLU A 155 22.357 -5.439 11.237 1.00 21.87 O ATOM 1127 CB GLU A 155 25.500 -5.076 11.863 1.00 23.72 C ATOM 1128 CG GLU A 155 26.287 -5.194 10.587 1.00 23.47 C ATOM 1129 CD GLU A 155 27.614 -5.919 10.773 1.00 26.82 C ATOM 1130 OE1 GLU A 155 27.872 -6.366 11.896 1.00 27.14 O ATOM 1131 OE2 GLU A 155 28.383 -5.995 9.824 1.00 28.08 O ATOM 0 H GLU A 155 23.882 -4.649 13.625 1.00 22.31 H new ATOM 0 HA GLU A 155 24.597 -3.262 11.469 1.00 22.88 H new ATOM 0 HB2 GLU A 155 26.092 -4.770 12.568 1.00 23.72 H new ATOM 0 HB3 GLU A 155 25.186 -5.957 12.119 1.00 23.72 H new ATOM 0 HG2 GLU A 155 25.755 -5.666 9.927 1.00 23.47 H new ATOM 0 HG3 GLU A 155 26.455 -4.307 10.233 1.00 23.47 H new ATOM 1132 N VAL A 156 23.398 -4.316 9.547 1.00 23.20 N ATOM 1133 CA VAL A 156 22.655 -4.948 8.460 1.00 23.11 C ATOM 1134 C VAL A 156 23.667 -5.525 7.469 1.00 22.71 C ATOM 1135 O VAL A 156 24.819 -5.078 7.326 1.00 24.06 O ATOM 1136 CB VAL A 156 21.656 -4.007 7.745 1.00 24.86 C ATOM 1137 CG1 VAL A 156 20.665 -3.359 8.705 1.00 25.57 C ATOM 1138 CG2 VAL A 156 22.366 -2.970 6.903 1.00 24.34 C ATOM 0 H VAL A 156 23.920 -3.681 9.294 1.00 23.20 H new ATOM 0 HA VAL A 156 22.103 -5.646 8.845 1.00 23.11 H new ATOM 0 HB VAL A 156 21.137 -4.568 7.148 1.00 24.86 H new ATOM 0 HG11 VAL A 156 20.064 -2.782 8.209 1.00 25.57 H new ATOM 0 HG12 VAL A 156 20.152 -4.048 9.155 1.00 25.57 H new ATOM 0 HG13 VAL A 156 21.147 -2.834 9.363 1.00 25.57 H new ATOM 0 HG21 VAL A 156 21.711 -2.400 6.471 1.00 24.34 H new ATOM 0 HG22 VAL A 156 22.940 -2.431 7.469 1.00 24.34 H new ATOM 0 HG23 VAL A 156 22.903 -3.414 6.228 1.00 24.34 H new ATOM 1139 N GLU A 157 23.175 -6.520 6.753 1.00 23.63 N ATOM 1140 CA GLU A 157 23.965 -7.232 5.765 1.00 26.72 C ATOM 1141 C GLU A 157 24.018 -6.417 4.464 1.00 23.53 C ATOM 1142 O GLU A 157 23.002 -5.825 4.052 1.00 25.42 O ATOM 1143 CB GLU A 157 23.313 -8.607 5.532 1.00 28.98 C ATOM 1144 CG GLU A 157 23.940 -9.396 4.393 1.00 34.15 C ATOM 1145 CD GLU A 157 23.244 -10.711 4.063 1.00 36.29 C ATOM 1146 OE1 GLU A 157 22.010 -10.714 3.934 1.00 38.54 O ATOM 1147 OE2 GLU A 157 23.940 -11.711 3.904 1.00 44.59 O ATOM 0 H GLU A 157 22.367 -6.804 6.827 1.00 23.63 H new ATOM 0 HA GLU A 157 24.876 -7.357 6.075 1.00 26.72 H new ATOM 0 HB2 GLU A 157 23.375 -9.128 6.348 1.00 28.98 H new ATOM 0 HB3 GLU A 157 22.369 -8.481 5.347 1.00 28.98 H new ATOM 0 HG2 GLU A 157 23.947 -8.841 3.598 1.00 34.15 H new ATOM 0 HG3 GLU A 157 24.865 -9.582 4.617 1.00 34.15 H new ATOM 1148 N VAL A 158 25.190 -6.391 3.850 1.00 22.77 N ATOM 1149 CA VAL A 158 25.399 -5.821 2.506 1.00 25.85 C ATOM 1150 C VAL A 158 25.709 -6.950 1.510 1.00 28.09 C ATOM 1151 O VAL A 158 26.736 -7.596 1.647 1.00 28.36 O ATOM 1152 CB VAL A 158 26.547 -4.805 2.519 1.00 23.66 C ATOM 1153 CG1 VAL A 158 26.860 -4.297 1.114 1.00 25.29 C ATOM 1154 CG2 VAL A 158 26.217 -3.662 3.456 1.00 25.90 C ATOM 0 H VAL A 158 25.908 -6.708 4.202 1.00 22.77 H new ATOM 0 HA VAL A 158 24.589 -5.362 2.234 1.00 25.85 H new ATOM 0 HB VAL A 158 27.345 -5.250 2.844 1.00 23.66 H new ATOM 0 HG11 VAL A 158 27.588 -3.658 1.156 1.00 25.29 H new ATOM 0 HG12 VAL A 158 27.117 -5.043 0.550 1.00 25.29 H new ATOM 0 HG13 VAL A 158 26.074 -3.867 0.743 1.00 25.29 H new ATOM 0 HG21 VAL A 158 26.948 -3.024 3.459 1.00 25.90 H new ATOM 0 HG22 VAL A 158 25.406 -3.222 3.157 1.00 25.90 H new ATOM 0 HG23 VAL A 158 26.086 -4.006 4.353 1.00 25.90 H new ATOM 1155 N LYS A 159 24.830 -7.174 0.531 1.00 26.11 N ATOM 1156 CA LYS A 159 25.074 -8.204 -0.511 1.00 28.26 C ATOM 1157 C LYS A 159 25.781 -7.584 -1.726 1.00 28.69 C ATOM 1158 O LYS A 159 25.754 -6.364 -1.942 1.00 25.35 O ATOM 1159 CB LYS A 159 23.751 -8.823 -0.954 1.00 29.85 C ATOM 1160 CG LYS A 159 23.068 -9.686 0.100 1.00 35.26 C ATOM 1161 CD LYS A 159 21.730 -10.262 -0.351 1.00 39.56 C ATOM 1162 CE LYS A 159 21.211 -11.266 0.654 1.00 44.90 C ATOM 1163 NZ LYS A 159 19.934 -11.876 0.226 1.00 50.16 N ATOM 0 H LYS A 159 24.088 -6.748 0.444 1.00 26.11 H new ATOM 0 HA LYS A 159 25.643 -8.893 -0.133 1.00 28.26 H new ATOM 0 HB2 LYS A 159 23.146 -8.111 -1.214 1.00 29.85 H new ATOM 0 HB3 LYS A 159 23.909 -9.363 -1.744 1.00 29.85 H new ATOM 0 HG2 LYS A 159 23.660 -10.415 0.342 1.00 35.26 H new ATOM 0 HG3 LYS A 159 22.929 -9.156 0.900 1.00 35.26 H new ATOM 0 HD2 LYS A 159 21.085 -9.546 -0.461 1.00 39.56 H new ATOM 0 HD3 LYS A 159 21.832 -10.688 -1.217 1.00 39.56 H new ATOM 0 HE2 LYS A 159 21.873 -11.963 0.784 1.00 44.90 H new ATOM 0 HE3 LYS A 159 21.088 -10.829 1.511 1.00 44.90 H new ATOM 0 HZ1 LYS A 159 19.662 -12.459 0.841 1.00 50.16 H new ATOM 0 HZ2 LYS A 159 19.319 -11.240 0.128 1.00 50.16 H new ATOM 0 HZ3 LYS A 159 20.051 -12.297 -0.549 1.00 50.16 H new ATOM 1164 N MET A 160 26.397 -8.425 -2.551 1.00 26.48 N ATOM 1165 CA MET A 160 27.164 -7.934 -3.696 1.00 27.20 C ATOM 1166 C MET A 160 26.210 -7.367 -4.754 1.00 24.11 C ATOM 1167 O MET A 160 26.632 -6.606 -5.613 1.00 21.52 O ATOM 1168 CB MET A 160 28.007 -9.054 -4.313 1.00 31.09 C ATOM 1169 CG MET A 160 29.191 -9.497 -3.474 1.00 33.86 C ATOM 1170 SD MET A 160 30.089 -10.927 -4.236 1.00 41.73 S ATOM 1171 CE MET A 160 31.526 -10.148 -4.965 1.00 43.86 C ATOM 0 H MET A 160 26.385 -9.281 -2.468 1.00 26.48 H new ATOM 0 HA MET A 160 27.761 -7.236 -3.385 1.00 27.20 H new ATOM 0 HB2 MET A 160 27.435 -9.821 -4.473 1.00 31.09 H new ATOM 0 HB3 MET A 160 28.332 -8.758 -5.177 1.00 31.09 H new ATOM 0 HG2 MET A 160 29.804 -8.753 -3.364 1.00 33.86 H new ATOM 0 HG3 MET A 160 28.883 -9.745 -2.588 1.00 33.86 H new ATOM 0 HE1 MET A 160 32.074 -10.821 -5.398 1.00 43.86 H new ATOM 0 HE2 MET A 160 31.241 -9.492 -5.621 1.00 43.86 H new ATOM 0 HE3 MET A 160 32.042 -9.708 -4.272 1.00 43.86 H new ATOM 1172 N SER A 161 24.947 -7.730 -4.690 1.00 23.33 N ATOM 1173 CA SER A 161 23.926 -7.214 -5.564 1.00 24.06 C ATOM 1174 C SER A 161 23.350 -5.890 -5.045 1.00 23.05 C ATOM 1175 O SER A 161 22.656 -5.232 -5.785 1.00 21.28 O ATOM 1176 CB SER A 161 22.797 -8.221 -5.775 1.00 28.10 C ATOM 1177 OG SER A 161 22.156 -8.568 -4.553 1.00 28.17 O ATOM 0 H SER A 161 24.653 -8.301 -4.118 1.00 23.33 H new ATOM 0 HA SER A 161 24.355 -7.050 -6.418 1.00 24.06 H new ATOM 0 HB2 SER A 161 22.143 -7.849 -6.388 1.00 28.10 H new ATOM 0 HB3 SER A 161 23.153 -9.022 -6.191 1.00 28.10 H new ATOM 0 HG SER A 161 21.960 -9.385 -4.561 1.00 28.17 H new ATOM 1178 N ASP A 162 23.630 -5.487 -3.819 1.00 21.82 N ATOM 1179 CA ASP A 162 22.906 -4.350 -3.280 1.00 20.11 C ATOM 1180 C ASP A 162 23.441 -3.041 -3.869 1.00 18.57 C ATOM 1181 O ASP A 162 24.655 -2.842 -4.095 1.00 21.15 O ATOM 1182 CB ASP A 162 23.063 -4.194 -1.766 1.00 20.66 C ATOM 1183 CG ASP A 162 22.253 -5.151 -0.933 1.00 21.32 C ATOM 1184 OD1 ASP A 162 21.183 -5.625 -1.418 1.00 26.67 O ATOM 1185 OD2 ASP A 162 22.746 -5.500 0.172 1.00 21.19 O ATOM 0 H ASP A 162 24.214 -5.842 -3.297 1.00 21.82 H new ATOM 0 HA ASP A 162 21.978 -4.519 -3.508 1.00 20.11 H new ATOM 0 HB2 ASP A 162 24.000 -4.305 -1.540 1.00 20.66 H new ATOM 0 HB3 ASP A 162 22.817 -3.288 -1.522 1.00 20.66 H new ATOM 1186 N THR A 163 22.518 -2.105 -3.993 1.00 18.15 N ATOM 1187 CA THR A 163 22.898 -0.726 -4.257 1.00 18.86 C ATOM 1188 C THR A 163 22.683 0.133 -3.001 1.00 18.29 C ATOM 1189 O THR A 163 22.191 -0.316 -1.981 1.00 17.94 O ATOM 1190 CB THR A 163 22.083 -0.138 -5.412 1.00 19.07 C ATOM 1191 OG1 THR A 163 20.737 -0.091 -4.932 1.00 20.45 O ATOM 1192 CG2 THR A 163 22.207 -0.925 -6.699 1.00 19.48 C ATOM 0 H THR A 163 21.672 -2.243 -3.929 1.00 18.15 H new ATOM 0 HA THR A 163 23.836 -0.721 -4.503 1.00 18.86 H new ATOM 0 HB THR A 163 22.413 0.741 -5.654 1.00 19.07 H new ATOM 0 HG1 THR A 163 20.527 -0.839 -4.611 1.00 20.45 H new ATOM 0 HG21 THR A 163 21.670 -0.504 -7.389 1.00 19.48 H new ATOM 0 HG22 THR A 163 23.136 -0.944 -6.979 1.00 19.48 H new ATOM 0 HG23 THR A 163 21.895 -1.832 -6.555 1.00 19.48 H new ATOM 1193 N SER A 164 23.009 1.400 -3.122 1.00 16.43 N ATOM 1194 CA SER A 164 22.737 2.323 -2.043 1.00 18.05 C ATOM 1195 C SER A 164 21.268 2.241 -1.602 1.00 17.03 C ATOM 1196 O SER A 164 21.030 2.198 -0.398 1.00 18.16 O ATOM 1197 CB SER A 164 23.168 3.728 -2.426 1.00 18.91 C ATOM 1198 OG SER A 164 22.666 4.692 -1.518 1.00 20.25 O ATOM 0 H SER A 164 23.385 1.746 -3.814 1.00 16.43 H new ATOM 0 HA SER A 164 23.264 2.069 -1.269 1.00 18.05 H new ATOM 0 HB2 SER A 164 24.137 3.776 -2.447 1.00 18.91 H new ATOM 0 HB3 SER A 164 22.854 3.931 -3.321 1.00 18.91 H new ATOM 0 HG SER A 164 21.911 4.955 -1.777 1.00 20.25 H new ATOM 1199 N LEU A 165 20.306 2.133 -2.514 1.00 17.91 N ATOM 1200 CA LEU A 165 18.889 2.116 -2.111 1.00 19.21 C ATOM 1201 C LEU A 165 18.585 0.825 -1.362 1.00 18.28 C ATOM 1202 O LEU A 165 17.893 0.848 -0.349 1.00 17.58 O ATOM 1203 CB LEU A 165 17.944 2.250 -3.309 1.00 20.14 C ATOM 1204 CG LEU A 165 16.452 2.122 -2.968 1.00 21.71 C ATOM 1205 CD1 LEU A 165 16.018 3.171 -1.967 1.00 23.13 C ATOM 1206 CD2 LEU A 165 15.578 2.201 -4.206 1.00 25.18 C ATOM 0 H LEU A 165 20.443 2.069 -3.361 1.00 17.91 H new ATOM 0 HA LEU A 165 18.740 2.882 -1.534 1.00 19.21 H new ATOM 0 HB2 LEU A 165 18.094 3.111 -3.729 1.00 20.14 H new ATOM 0 HB3 LEU A 165 18.173 1.571 -3.963 1.00 20.14 H new ATOM 0 HG LEU A 165 16.337 1.245 -2.570 1.00 21.71 H new ATOM 0 HD11 LEU A 165 15.074 3.063 -1.774 1.00 23.13 H new ATOM 0 HD12 LEU A 165 16.529 3.069 -1.149 1.00 23.13 H new ATOM 0 HD13 LEU A 165 16.173 4.055 -2.336 1.00 23.13 H new ATOM 0 HD21 LEU A 165 14.646 2.116 -3.950 1.00 25.18 H new ATOM 0 HD22 LEU A 165 15.716 3.054 -4.646 1.00 25.18 H new ATOM 0 HD23 LEU A 165 15.812 1.483 -4.814 1.00 25.18 H new ATOM 1207 N THR A 166 19.033 -0.293 -1.899 1.00 18.82 N ATOM 1208 CA THR A 166 18.696 -1.563 -1.255 1.00 18.76 C ATOM 1209 C THR A 166 19.220 -1.604 0.191 1.00 18.81 C ATOM 1210 O THR A 166 18.527 -2.043 1.099 1.00 17.37 O ATOM 1211 CB THR A 166 19.284 -2.799 -1.957 1.00 22.50 C ATOM 1212 OG1 THR A 166 19.716 -2.521 -3.278 1.00 25.75 O ATOM 1213 CG2 THR A 166 18.268 -3.911 -1.995 1.00 25.60 C ATOM 0 H THR A 166 19.516 -0.348 -2.608 1.00 18.82 H new ATOM 0 HA THR A 166 17.728 -1.601 -1.299 1.00 18.76 H new ATOM 0 HB THR A 166 20.059 -3.069 -1.440 1.00 22.50 H new ATOM 0 HG1 THR A 166 19.902 -3.241 -3.669 1.00 25.75 H new ATOM 0 HG21 THR A 166 18.650 -4.684 -2.440 1.00 25.60 H new ATOM 0 HG22 THR A 166 18.017 -4.151 -1.089 1.00 25.60 H new ATOM 0 HG23 THR A 166 17.482 -3.615 -2.481 1.00 25.60 H new ATOM 1214 N VAL A 167 20.453 -1.174 0.404 1.00 16.88 N ATOM 1215 CA VAL A 167 21.004 -1.170 1.765 1.00 17.14 C ATOM 1216 C VAL A 167 20.286 -0.138 2.634 1.00 18.04 C ATOM 1217 O VAL A 167 19.975 -0.411 3.763 1.00 18.54 O ATOM 1218 CB VAL A 167 22.507 -0.892 1.797 1.00 16.68 C ATOM 1219 CG1 VAL A 167 23.032 -1.045 3.219 1.00 18.83 C ATOM 1220 CG2 VAL A 167 23.297 -1.797 0.854 1.00 18.62 C ATOM 0 H VAL A 167 20.984 -0.884 -0.207 1.00 16.88 H new ATOM 0 HA VAL A 167 20.860 -2.062 2.117 1.00 17.14 H new ATOM 0 HB VAL A 167 22.633 0.019 1.490 1.00 16.68 H new ATOM 0 HG11 VAL A 167 23.986 -0.868 3.233 1.00 18.83 H new ATOM 0 HG12 VAL A 167 22.578 -0.416 3.801 1.00 18.83 H new ATOM 0 HG13 VAL A 167 22.867 -1.949 3.529 1.00 18.83 H new ATOM 0 HG21 VAL A 167 24.241 -1.580 0.912 1.00 18.62 H new ATOM 0 HG22 VAL A 167 23.162 -2.724 1.106 1.00 18.62 H new ATOM 0 HG23 VAL A 167 22.991 -1.662 -0.056 1.00 18.62 H new ATOM 1221 N TYR A 168 19.968 1.002 2.048 1.00 17.04 N ATOM 1222 CA TYR A 168 19.311 2.052 2.790 1.00 16.57 C ATOM 1223 C TYR A 168 17.970 1.585 3.336 1.00 17.49 C ATOM 1224 O TYR A 168 17.615 1.866 4.484 1.00 16.69 O ATOM 1225 CB TYR A 168 19.136 3.288 1.926 1.00 16.28 C ATOM 1226 CG TYR A 168 18.560 4.477 2.663 1.00 17.99 C ATOM 1227 CD1 TYR A 168 19.323 5.159 3.604 1.00 16.85 C ATOM 1228 CD2 TYR A 168 17.305 4.974 2.368 1.00 19.11 C ATOM 1229 CE1 TYR A 168 18.830 6.261 4.271 1.00 18.67 C ATOM 1230 CE2 TYR A 168 16.797 6.079 3.035 1.00 18.94 C ATOM 1231 CZ TYR A 168 17.551 6.706 4.009 1.00 19.27 C ATOM 1232 OH TYR A 168 17.062 7.810 4.642 1.00 19.13 O ATOM 0 H TYR A 168 20.125 1.185 1.222 1.00 17.04 H new ATOM 0 HA TYR A 168 19.876 2.281 3.545 1.00 16.57 H new ATOM 0 HB2 TYR A 168 19.997 3.536 1.554 1.00 16.28 H new ATOM 0 HB3 TYR A 168 18.556 3.070 1.179 1.00 16.28 H new ATOM 0 HD1 TYR A 168 20.186 4.865 3.788 1.00 16.85 H new ATOM 0 HD2 TYR A 168 16.792 4.561 1.711 1.00 19.11 H new ATOM 0 HE1 TYR A 168 19.359 6.703 4.896 1.00 18.67 H new ATOM 0 HE2 TYR A 168 15.949 6.398 2.827 1.00 18.94 H new ATOM 0 HH TYR A 168 17.676 8.377 4.732 1.00 19.13 H new ATOM 1233 N ARG A 169 17.210 0.848 2.549 1.00 16.44 N ATOM 1234 CA ARG A 169 15.926 0.370 3.045 1.00 17.86 C ATOM 1235 C ARG A 169 16.146 -0.577 4.224 1.00 17.69 C ATOM 1236 O ARG A 169 15.367 -0.564 5.139 1.00 18.52 O ATOM 1237 CB ARG A 169 15.129 -0.266 1.908 1.00 18.75 C ATOM 1238 CG ARG A 169 14.696 0.719 0.834 1.00 19.62 C ATOM 1239 CD ARG A 169 14.056 2.003 1.336 1.00 20.01 C ATOM 1240 NE ARG A 169 12.937 1.707 2.202 1.00 21.80 N ATOM 1241 CZ ARG A 169 12.405 2.569 3.066 1.00 20.79 C ATOM 1242 NH1 ARG A 169 11.566 2.140 3.993 1.00 20.24 N ATOM 1243 NH2 ARG A 169 12.741 3.840 2.991 1.00 19.17 N ATOM 0 H ARG A 169 17.407 0.616 1.745 1.00 16.44 H new ATOM 0 HA ARG A 169 15.397 1.114 3.374 1.00 17.86 H new ATOM 0 HB2 ARG A 169 15.666 -0.962 1.498 1.00 18.75 H new ATOM 0 HB3 ARG A 169 14.341 -0.695 2.277 1.00 18.75 H new ATOM 0 HG2 ARG A 169 15.472 0.951 0.300 1.00 19.62 H new ATOM 0 HG3 ARG A 169 14.068 0.273 0.244 1.00 19.62 H new ATOM 0 HD2 ARG A 169 14.712 2.532 1.816 1.00 20.01 H new ATOM 0 HD3 ARG A 169 13.757 2.537 0.584 1.00 20.01 H new ATOM 0 HE ARG A 169 12.592 0.921 2.156 1.00 21.80 H new ATOM 0 HH11 ARG A 169 11.365 1.305 4.037 1.00 20.24 H new ATOM 0 HH12 ARG A 169 11.222 2.696 4.552 1.00 20.24 H new ATOM 0 HH21 ARG A 169 13.297 4.103 2.390 1.00 19.17 H new ATOM 0 HH22 ARG A 169 12.404 4.407 3.543 1.00 19.17 H new ATOM 1244 N LYS A 170 17.195 -1.373 4.208 1.00 18.19 N ATOM 1245 CA LYS A 170 17.480 -2.247 5.338 1.00 18.65 C ATOM 1246 C LYS A 170 17.800 -1.414 6.589 1.00 20.80 C ATOM 1247 O LYS A 170 17.390 -1.781 7.698 1.00 20.35 O ATOM 1248 CB LYS A 170 18.615 -3.234 5.010 1.00 21.81 C ATOM 1249 CG LYS A 170 18.278 -4.237 3.915 1.00 22.12 C ATOM 1250 CD LYS A 170 19.346 -5.293 3.695 1.00 23.81 C ATOM 1251 CE LYS A 170 20.098 -5.171 2.398 1.00 23.78 C ATOM 1252 NZ LYS A 170 21.038 -6.310 2.249 1.00 22.01 N ATOM 0 H LYS A 170 17.756 -1.427 3.558 1.00 18.19 H new ATOM 0 HA LYS A 170 16.688 -2.776 5.522 1.00 18.65 H new ATOM 0 HB2 LYS A 170 19.400 -2.730 4.742 1.00 21.81 H new ATOM 0 HB3 LYS A 170 18.851 -3.719 5.816 1.00 21.81 H new ATOM 0 HG2 LYS A 170 17.443 -4.677 4.138 1.00 22.12 H new ATOM 0 HG3 LYS A 170 18.134 -3.758 3.084 1.00 22.12 H new ATOM 0 HD2 LYS A 170 19.981 -5.250 4.427 1.00 23.81 H new ATOM 0 HD3 LYS A 170 18.930 -6.168 3.731 1.00 23.81 H new ATOM 0 HE2 LYS A 170 19.475 -5.156 1.654 1.00 23.78 H new ATOM 0 HE3 LYS A 170 20.587 -4.333 2.376 1.00 23.78 H new ATOM 0 HZ1 LYS A 170 21.469 -6.240 1.474 1.00 22.01 H new ATOM 0 HZ2 LYS A 170 21.626 -6.299 2.917 1.00 22.01 H new ATOM 0 HZ3 LYS A 170 20.583 -7.075 2.267 1.00 22.01 H new ATOM 1253 N VAL A 171 18.587 -0.358 6.401 1.00 18.28 N ATOM 1254 CA VAL A 171 18.987 0.503 7.459 1.00 18.82 C ATOM 1255 C VAL A 171 17.752 1.159 8.076 1.00 18.80 C ATOM 1256 O VAL A 171 17.608 1.146 9.311 1.00 19.22 O ATOM 1257 CB VAL A 171 20.024 1.542 6.984 1.00 18.77 C ATOM 1258 CG1 VAL A 171 20.273 2.604 8.032 1.00 19.24 C ATOM 1259 CG2 VAL A 171 21.347 0.870 6.610 1.00 20.64 C ATOM 0 H VAL A 171 18.900 -0.133 5.632 1.00 18.28 H new ATOM 0 HA VAL A 171 19.428 -0.022 8.145 1.00 18.82 H new ATOM 0 HB VAL A 171 19.652 1.969 6.197 1.00 18.77 H new ATOM 0 HG11 VAL A 171 20.928 3.238 7.701 1.00 19.24 H new ATOM 0 HG12 VAL A 171 19.444 3.068 8.226 1.00 19.24 H new ATOM 0 HG13 VAL A 171 20.607 2.188 8.842 1.00 19.24 H new ATOM 0 HG21 VAL A 171 21.980 1.543 6.315 1.00 20.64 H new ATOM 0 HG22 VAL A 171 21.705 0.407 7.383 1.00 20.64 H new ATOM 0 HG23 VAL A 171 21.196 0.234 5.894 1.00 20.64 H new ATOM 1260 N ILE A 172 16.887 1.730 7.248 1.00 18.13 N ATOM 1261 CA ILE A 172 15.672 2.352 7.752 1.00 18.96 C ATOM 1262 C ILE A 172 14.865 1.344 8.589 1.00 19.55 C ATOM 1263 O ILE A 172 14.371 1.659 9.646 1.00 18.79 O ATOM 1264 CB ILE A 172 14.835 2.920 6.581 1.00 18.92 C ATOM 1265 CG1 ILE A 172 15.513 4.137 5.932 1.00 20.19 C ATOM 1266 CG2 ILE A 172 13.416 3.209 7.040 1.00 19.62 C ATOM 1267 CD1 ILE A 172 15.580 5.373 6.827 1.00 21.68 C ATOM 0 H ILE A 172 16.984 1.768 6.394 1.00 18.13 H new ATOM 0 HA ILE A 172 15.910 3.093 8.331 1.00 18.96 H new ATOM 0 HB ILE A 172 14.783 2.247 5.884 1.00 18.92 H new ATOM 0 HG12 ILE A 172 16.414 3.891 5.671 1.00 20.19 H new ATOM 0 HG13 ILE A 172 15.035 4.365 5.119 1.00 20.19 H new ATOM 0 HG21 ILE A 172 12.902 3.564 6.298 1.00 19.62 H new ATOM 0 HG22 ILE A 172 13.004 2.389 7.355 1.00 19.62 H new ATOM 0 HG23 ILE A 172 13.435 3.858 7.760 1.00 19.62 H new ATOM 0 HD11 ILE A 172 16.019 6.095 6.350 1.00 21.68 H new ATOM 0 HD12 ILE A 172 14.681 5.646 7.070 1.00 21.68 H new ATOM 0 HD13 ILE A 172 16.082 5.164 7.630 1.00 21.68 H new ATOM 1268 N ALA A 173 14.708 0.133 8.086 1.00 22.36 N ATOM 1269 CA ALA A 173 13.983 -0.910 8.805 1.00 21.88 C ATOM 1270 C ALA A 173 14.634 -1.151 10.171 1.00 21.13 C ATOM 1271 O ALA A 173 13.939 -1.274 11.173 1.00 20.40 O ATOM 1272 CB ALA A 173 13.968 -2.182 7.998 1.00 21.83 C ATOM 0 H ALA A 173 15.016 -0.112 7.321 1.00 22.36 H new ATOM 0 HA ALA A 173 13.067 -0.622 8.942 1.00 21.88 H new ATOM 0 HB1 ALA A 173 13.484 -2.868 8.484 1.00 21.83 H new ATOM 0 HB2 ALA A 173 13.531 -2.020 7.147 1.00 21.83 H new ATOM 0 HB3 ALA A 173 14.879 -2.478 7.843 1.00 21.83 H new ATOM 1273 N ILE A 174 15.948 -1.224 10.209 1.00 21.52 N ATOM 1274 CA ILE A 174 16.610 -1.508 11.484 1.00 23.92 C ATOM 1275 C ILE A 174 16.506 -0.290 12.423 1.00 22.55 C ATOM 1276 O ILE A 174 16.327 -0.434 13.635 1.00 20.18 O ATOM 1277 CB ILE A 174 18.047 -2.051 11.279 1.00 26.03 C ATOM 1278 CG1 ILE A 174 18.317 -3.203 12.244 1.00 35.14 C ATOM 1279 CG2 ILE A 174 19.127 -0.998 11.408 1.00 28.35 C ATOM 1280 CD1 ILE A 174 17.538 -4.450 11.885 1.00 33.82 C ATOM 0 H ILE A 174 16.471 -1.117 9.534 1.00 21.52 H new ATOM 0 HA ILE A 174 16.145 -2.231 11.933 1.00 23.92 H new ATOM 0 HB ILE A 174 18.087 -2.365 10.362 1.00 26.03 H new ATOM 0 HG12 ILE A 174 19.266 -3.406 12.244 1.00 35.14 H new ATOM 0 HG13 ILE A 174 18.085 -2.928 13.145 1.00 35.14 H new ATOM 0 HG21 ILE A 174 19.996 -1.406 11.269 1.00 28.35 H new ATOM 0 HG22 ILE A 174 18.985 -0.306 10.744 1.00 28.35 H new ATOM 0 HG23 ILE A 174 19.093 -0.606 12.295 1.00 28.35 H new ATOM 0 HD11 ILE A 174 17.740 -5.153 12.522 1.00 33.82 H new ATOM 0 HD12 ILE A 174 16.588 -4.256 11.908 1.00 33.82 H new ATOM 0 HD13 ILE A 174 17.786 -4.741 10.994 1.00 33.82 H new ATOM 1281 N GLU A 175 16.546 0.915 11.875 1.00 19.42 N ATOM 1282 CA GLU A 175 16.368 2.106 12.702 1.00 20.10 C ATOM 1283 C GLU A 175 15.021 2.095 13.419 1.00 19.92 C ATOM 1284 O GLU A 175 14.924 2.483 14.596 1.00 20.57 O ATOM 1285 CB GLU A 175 16.400 3.385 11.879 1.00 21.65 C ATOM 1286 CG GLU A 175 17.777 3.726 11.421 1.00 25.00 C ATOM 1287 CD GLU A 175 17.874 5.079 10.702 1.00 25.12 C ATOM 1288 OE1 GLU A 175 17.636 5.099 9.493 1.00 33.23 O ATOM 1289 OE2 GLU A 175 18.168 6.063 11.336 1.00 24.48 O ATOM 0 H GLU A 175 16.673 1.068 11.038 1.00 19.42 H new ATOM 0 HA GLU A 175 17.103 2.088 13.335 1.00 20.10 H new ATOM 0 HB2 GLU A 175 15.820 3.286 11.108 1.00 21.65 H new ATOM 0 HB3 GLU A 175 16.046 4.117 12.408 1.00 21.65 H new ATOM 0 HG2 GLU A 175 18.371 3.733 12.188 1.00 25.00 H new ATOM 0 HG3 GLU A 175 18.092 3.029 10.825 1.00 25.00 H new ATOM 1290 N LYS A 176 14.006 1.716 12.675 1.00 18.24 N ATOM 1291 CA LYS A 176 12.681 1.642 13.233 1.00 19.84 C ATOM 1292 C LYS A 176 12.674 0.636 14.390 1.00 20.69 C ATOM 1293 O LYS A 176 12.125 0.894 15.473 1.00 22.24 O ATOM 1294 CB LYS A 176 11.671 1.246 12.157 1.00 18.95 C ATOM 1295 CG LYS A 176 11.320 2.320 11.148 1.00 20.44 C ATOM 1296 CD LYS A 176 10.435 1.827 10.025 1.00 18.96 C ATOM 1297 CE LYS A 176 10.091 2.935 9.052 1.00 19.08 C ATOM 1298 NZ LYS A 176 9.479 2.372 7.846 1.00 19.54 N ATOM 0 H LYS A 176 14.064 1.498 11.845 1.00 18.24 H new ATOM 0 HA LYS A 176 12.424 2.513 13.573 1.00 19.84 H new ATOM 0 HB2 LYS A 176 12.020 0.479 11.678 1.00 18.95 H new ATOM 0 HB3 LYS A 176 10.854 0.959 12.595 1.00 18.95 H new ATOM 0 HG2 LYS A 176 10.874 3.050 11.605 1.00 20.44 H new ATOM 0 HG3 LYS A 176 12.138 2.680 10.771 1.00 20.44 H new ATOM 0 HD2 LYS A 176 10.883 1.109 9.552 1.00 18.96 H new ATOM 0 HD3 LYS A 176 9.619 1.457 10.395 1.00 18.96 H new ATOM 0 HE2 LYS A 176 9.482 3.564 9.469 1.00 19.08 H new ATOM 0 HE3 LYS A 176 10.892 3.429 8.817 1.00 19.08 H new ATOM 0 HZ1 LYS A 176 9.595 2.933 7.165 1.00 19.54 H new ATOM 0 HZ2 LYS A 176 9.861 1.591 7.656 1.00 19.54 H new ATOM 0 HZ3 LYS A 176 8.608 2.250 7.984 1.00 19.54 H new ATOM 1299 N HIS A 177 13.276 -0.512 14.149 1.00 21.84 N ATOM 1300 CA HIS A 177 13.382 -1.534 15.199 1.00 23.38 C ATOM 1301 C HIS A 177 14.066 -0.970 16.461 1.00 23.36 C ATOM 1302 O HIS A 177 13.611 -1.173 17.588 1.00 21.02 O ATOM 1303 CB HIS A 177 14.119 -2.743 14.615 1.00 26.33 C ATOM 1304 CG HIS A 177 14.320 -3.835 15.607 1.00 29.85 C ATOM 1305 ND1 HIS A 177 13.256 -4.514 16.157 1.00 34.10 N ATOM 1306 CD2 HIS A 177 15.444 -4.354 16.143 1.00 32.58 C ATOM 1307 CE1 HIS A 177 13.715 -5.414 17.015 1.00 36.92 C ATOM 1308 NE2 HIS A 177 15.069 -5.347 17.015 1.00 34.08 N ATOM 0 H HIS A 177 13.630 -0.728 13.396 1.00 21.84 H new ATOM 0 HA HIS A 177 12.499 -1.816 15.487 1.00 23.38 H new ATOM 0 HB2 HIS A 177 13.618 -3.087 13.859 1.00 26.33 H new ATOM 0 HB3 HIS A 177 14.982 -2.457 14.276 1.00 26.33 H new ATOM 0 HD2 HIS A 177 16.315 -4.088 15.956 1.00 32.58 H new ATOM 0 HE1 HIS A 177 13.198 -5.992 17.528 1.00 36.92 H new ATOM 0 HE2 HIS A 177 15.600 -5.839 17.479 1.00 34.08 H new ATOM 1309 N LEU A 178 15.165 -0.260 16.274 1.00 21.45 N ATOM 1310 CA LEU A 178 15.887 0.290 17.387 1.00 21.33 C ATOM 1311 C LEU A 178 15.022 1.323 18.104 1.00 21.75 C ATOM 1312 O LEU A 178 15.061 1.414 19.333 1.00 21.51 O ATOM 1313 CB LEU A 178 17.182 0.934 16.895 1.00 21.48 C ATOM 1314 CG LEU A 178 18.240 -0.019 16.368 1.00 23.13 C ATOM 1315 CD1 LEU A 178 19.535 0.747 16.105 1.00 23.86 C ATOM 1316 CD2 LEU A 178 18.493 -1.187 17.322 1.00 25.43 C ATOM 0 H LEU A 178 15.506 -0.088 15.503 1.00 21.45 H new ATOM 0 HA LEU A 178 16.107 -0.420 18.010 1.00 21.33 H new ATOM 0 HB2 LEU A 178 16.962 1.565 16.192 1.00 21.48 H new ATOM 0 HB3 LEU A 178 17.566 1.444 17.625 1.00 21.48 H new ATOM 0 HG LEU A 178 17.911 -0.399 15.538 1.00 23.13 H new ATOM 0 HD11 LEU A 178 20.210 0.137 15.768 1.00 23.86 H new ATOM 0 HD12 LEU A 178 19.372 1.442 15.449 1.00 23.86 H new ATOM 0 HD13 LEU A 178 19.847 1.149 16.931 1.00 23.86 H new ATOM 0 HD21 LEU A 178 19.173 -1.769 16.948 1.00 25.43 H new ATOM 0 HD22 LEU A 178 18.795 -0.846 18.178 1.00 25.43 H new ATOM 0 HD23 LEU A 178 17.672 -1.688 17.445 1.00 25.43 H new ATOM 1317 N ILE A 179 14.296 2.129 17.336 1.00 20.81 N ATOM 1318 CA ILE A 179 13.382 3.086 17.933 1.00 21.26 C ATOM 1319 C ILE A 179 12.360 2.347 18.793 1.00 21.88 C ATOM 1320 O ILE A 179 12.190 2.713 19.948 1.00 21.18 O ATOM 1321 CB ILE A 179 12.729 3.968 16.855 1.00 21.39 C ATOM 1322 CG1 ILE A 179 13.745 4.967 16.310 1.00 21.70 C ATOM 1323 CG2 ILE A 179 11.464 4.662 17.341 1.00 22.37 C ATOM 1324 CD1 ILE A 179 13.332 5.572 14.995 1.00 24.06 C ATOM 0 H ILE A 179 14.319 2.136 16.476 1.00 20.81 H new ATOM 0 HA ILE A 179 13.873 3.689 18.513 1.00 21.26 H new ATOM 0 HB ILE A 179 12.447 3.384 16.134 1.00 21.39 H new ATOM 0 HG12 ILE A 179 13.874 5.676 16.960 1.00 21.70 H new ATOM 0 HG13 ILE A 179 14.601 4.523 16.201 1.00 21.70 H new ATOM 0 HG21 ILE A 179 11.096 5.202 16.625 1.00 22.37 H new ATOM 0 HG22 ILE A 179 10.813 3.996 17.611 1.00 22.37 H new ATOM 0 HG23 ILE A 179 11.677 5.231 18.098 1.00 22.37 H new ATOM 0 HD11 ILE A 179 14.012 6.196 14.698 1.00 24.06 H new ATOM 0 HD12 ILE A 179 13.227 4.870 14.334 1.00 24.06 H new ATOM 0 HD13 ILE A 179 12.490 6.040 15.104 1.00 24.06 H new ATOM 1325 N SER A 180 11.727 1.287 18.275 1.00 23.20 N ATOM 1326 CA SER A 180 10.754 0.545 19.099 1.00 22.65 C ATOM 1327 C SER A 180 11.418 -0.098 20.339 1.00 24.53 C ATOM 1328 O SER A 180 10.843 -0.076 21.440 1.00 24.01 O ATOM 1329 CB SER A 180 10.041 -0.486 18.274 1.00 24.95 C ATOM 1330 OG SER A 180 9.368 0.119 17.180 1.00 28.06 O ATOM 0 H SER A 180 11.839 0.987 17.477 1.00 23.20 H new ATOM 0 HA SER A 180 10.101 1.183 19.425 1.00 22.65 H new ATOM 0 HB2 SER A 180 10.678 -1.140 17.946 1.00 24.95 H new ATOM 0 HB3 SER A 180 9.403 -0.964 18.827 1.00 24.95 H new ATOM 0 HG SER A 180 8.615 -0.240 17.081 1.00 28.06 H new ATOM 1331 N ARG A 181 12.603 -0.649 20.185 1.00 24.47 N ATOM 1332 CA ARG A 181 13.304 -1.329 21.263 1.00 27.60 C ATOM 1333 C ARG A 181 13.741 -0.349 22.353 1.00 25.82 C ATOM 1334 O ARG A 181 13.806 -0.744 23.533 1.00 22.55 O ATOM 1335 CB ARG A 181 14.529 -2.089 20.732 1.00 30.18 C ATOM 1336 CG ARG A 181 14.214 -3.484 20.188 1.00 37.50 C ATOM 1337 CD ARG A 181 14.710 -4.675 21.024 1.00 40.54 C ATOM 1338 NE ARG A 181 16.122 -4.539 21.391 1.00 46.12 N ATOM 1339 CZ ARG A 181 16.743 -5.242 22.346 1.00 42.14 C ATOM 1340 NH1 ARG A 181 16.082 -6.185 22.990 1.00 43.02 N ATOM 1341 NH2 ARG A 181 18.014 -4.994 22.645 1.00 36.26 N ATOM 0 H ARG A 181 13.034 -0.641 19.441 1.00 24.47 H new ATOM 0 HA ARG A 181 12.682 -1.964 21.650 1.00 27.60 H new ATOM 0 HB2 ARG A 181 14.943 -1.564 20.029 1.00 30.18 H new ATOM 0 HB3 ARG A 181 15.181 -2.171 21.446 1.00 30.18 H new ATOM 0 HG2 ARG A 181 13.252 -3.562 20.090 1.00 37.50 H new ATOM 0 HG3 ARG A 181 14.596 -3.557 19.299 1.00 37.50 H new ATOM 0 HD2 ARG A 181 14.173 -4.750 21.829 1.00 40.54 H new ATOM 0 HD3 ARG A 181 14.585 -5.496 20.522 1.00 40.54 H new ATOM 0 HE ARG A 181 16.589 -3.961 20.958 1.00 46.12 H new ATOM 0 HH11 ARG A 181 15.260 -6.343 22.795 1.00 43.02 H new ATOM 0 HH12 ARG A 181 16.474 -6.641 23.605 1.00 43.02 H new ATOM 0 HH21 ARG A 181 18.443 -4.379 22.224 1.00 36.26 H new ATOM 0 HH22 ARG A 181 18.408 -5.449 23.260 1.00 36.26 H new ATOM 1342 N ASN A 182 14.023 0.920 22.007 1.00 23.73 N ATOM 1343 CA ASN A 182 14.768 1.777 22.919 1.00 24.90 C ATOM 1344 C ASN A 182 13.943 2.974 23.405 1.00 23.75 C ATOM 1345 O ASN A 182 14.389 3.655 24.324 1.00 23.73 O ATOM 1346 CB ASN A 182 16.068 2.262 22.267 1.00 24.98 C ATOM 1347 CG ASN A 182 17.119 1.182 22.200 1.00 25.01 C ATOM 1348 OD1 ASN A 182 17.723 0.838 23.222 1.00 23.35 O ATOM 1349 ND2 ASN A 182 17.330 0.621 21.014 1.00 22.54 N ATOM 0 H ASN A 182 13.794 1.288 21.264 1.00 23.73 H new ATOM 0 HA ASN A 182 14.982 1.238 23.697 1.00 24.90 H new ATOM 0 HB2 ASN A 182 15.878 2.580 21.371 1.00 24.98 H new ATOM 0 HB3 ASN A 182 16.415 3.017 22.768 1.00 24.98 H new ATOM 0 HD21 ASN A 182 17.908 -0.011 20.934 1.00 22.54 H new ATOM 0 HD22 ASN A 182 16.888 0.890 20.327 1.00 22.54 H new ATOM 1350 N ILE A 183 12.762 3.233 22.841 1.00 22.14 N ATOM 1351 CA ILE A 183 12.123 4.521 23.095 1.00 23.62 C ATOM 1352 C ILE A 183 11.716 4.645 24.571 1.00 25.11 C ATOM 1353 O ILE A 183 11.814 5.721 25.189 1.00 22.76 O ATOM 1354 CB ILE A 183 10.957 4.751 22.116 1.00 24.27 C ATOM 1355 CG1 ILE A 183 10.464 6.194 22.170 1.00 23.62 C ATOM 1356 CG2 ILE A 183 9.814 3.751 22.295 1.00 24.76 C ATOM 1357 CD1 ILE A 183 11.566 7.216 22.043 1.00 25.41 C ATOM 0 H ILE A 183 12.329 2.697 22.327 1.00 22.14 H new ATOM 0 HA ILE A 183 12.761 5.233 22.930 1.00 23.62 H new ATOM 0 HB ILE A 183 11.310 4.590 21.227 1.00 24.27 H new ATOM 0 HG12 ILE A 183 9.820 6.334 21.458 1.00 23.62 H new ATOM 0 HG13 ILE A 183 9.996 6.337 23.008 1.00 23.62 H new ATOM 0 HG21 ILE A 183 9.112 3.944 21.655 1.00 24.76 H new ATOM 0 HG22 ILE A 183 10.145 2.851 22.149 1.00 24.76 H new ATOM 0 HG23 ILE A 183 9.459 3.823 23.195 1.00 24.76 H new ATOM 0 HD11 ILE A 183 11.187 8.108 22.085 1.00 25.41 H new ATOM 0 HD12 ILE A 183 12.200 7.100 22.768 1.00 25.41 H new ATOM 0 HD13 ILE A 183 12.021 7.098 21.194 1.00 25.41 H new ATOM 1358 N PHE A 184 11.258 3.545 25.166 1.00 26.00 N ATOM 1359 CA PHE A 184 10.822 3.621 26.573 1.00 27.03 C ATOM 1360 C PHE A 184 12.035 3.886 27.466 1.00 25.83 C ATOM 1361 O PHE A 184 12.032 4.767 28.304 1.00 29.84 O ATOM 1362 CB PHE A 184 10.081 2.348 26.981 1.00 31.56 C ATOM 1363 CG PHE A 184 9.664 2.365 28.432 1.00 32.87 C ATOM 1364 CD1 PHE A 184 8.479 2.971 28.813 1.00 34.82 C ATOM 1365 CD2 PHE A 184 10.494 1.832 29.407 1.00 33.99 C ATOM 1366 CE1 PHE A 184 8.108 2.995 30.150 1.00 37.53 C ATOM 1367 CE2 PHE A 184 10.132 1.877 30.746 1.00 35.92 C ATOM 1368 CZ PHE A 184 8.941 2.460 31.108 1.00 35.12 C ATOM 0 H PHE A 184 11.190 2.771 24.796 1.00 26.00 H new ATOM 0 HA PHE A 184 10.198 4.356 26.680 1.00 27.03 H new ATOM 0 HB2 PHE A 184 9.295 2.241 26.422 1.00 31.56 H new ATOM 0 HB3 PHE A 184 10.650 1.579 26.820 1.00 31.56 H new ATOM 0 HD1 PHE A 184 7.931 3.363 28.172 1.00 34.82 H new ATOM 0 HD2 PHE A 184 11.301 1.441 29.161 1.00 33.99 H new ATOM 0 HE1 PHE A 184 7.296 3.373 30.400 1.00 37.53 H new ATOM 0 HE2 PHE A 184 10.692 1.515 31.394 1.00 35.92 H new ATOM 0 HZ PHE A 184 8.696 2.493 32.005 1.00 35.12 H new ATOM 1369 N THR A 185 13.096 3.142 27.277 1.00 24.50 N ATOM 1370 CA THR A 185 14.251 3.336 28.086 1.00 27.80 C ATOM 1371 C THR A 185 14.840 4.743 27.898 1.00 28.20 C ATOM 1372 O THR A 185 15.441 5.293 28.816 1.00 27.77 O ATOM 1373 CB THR A 185 15.304 2.261 27.798 1.00 32.79 C ATOM 1374 OG1 THR A 185 16.451 2.531 28.599 1.00 38.82 O ATOM 1375 CG2 THR A 185 15.771 2.209 26.368 1.00 34.32 C ATOM 0 H THR A 185 13.162 2.522 26.685 1.00 24.50 H new ATOM 0 HA THR A 185 13.978 3.254 29.013 1.00 27.80 H new ATOM 0 HB THR A 185 14.880 1.412 27.996 1.00 32.79 H new ATOM 0 HG1 THR A 185 16.220 2.606 29.403 1.00 38.82 H new ATOM 0 HG21 THR A 185 16.433 1.507 26.269 1.00 34.32 H new ATOM 0 HG22 THR A 185 15.016 2.026 25.787 1.00 34.32 H new ATOM 0 HG23 THR A 185 16.166 3.061 26.125 1.00 34.32 H new ATOM 1376 N ILE A 186 14.733 5.301 26.694 1.00 23.01 N ATOM 1377 CA ILE A 186 15.361 6.601 26.438 1.00 21.74 C ATOM 1378 C ILE A 186 14.581 7.683 27.180 1.00 19.76 C ATOM 1379 O ILE A 186 15.176 8.534 27.864 1.00 22.51 O ATOM 1380 CB ILE A 186 15.421 6.860 24.920 1.00 20.75 C ATOM 1381 CG1 ILE A 186 16.605 6.113 24.316 1.00 19.08 C ATOM 1382 CG2 ILE A 186 15.456 8.355 24.650 1.00 20.89 C ATOM 1383 CD1 ILE A 186 16.612 6.079 22.830 1.00 22.47 C ATOM 0 H ILE A 186 14.314 4.957 26.027 1.00 23.01 H new ATOM 0 HA ILE A 186 16.274 6.611 26.767 1.00 21.74 H new ATOM 0 HB ILE A 186 14.623 6.518 24.488 1.00 20.75 H new ATOM 0 HG12 ILE A 186 17.426 6.527 24.624 1.00 19.08 H new ATOM 0 HG13 ILE A 186 16.604 5.202 24.650 1.00 19.08 H new ATOM 0 HG21 ILE A 186 15.494 8.510 23.693 1.00 20.89 H new ATOM 0 HG22 ILE A 186 14.657 8.768 25.013 1.00 20.89 H new ATOM 0 HG23 ILE A 186 16.240 8.742 25.071 1.00 20.89 H new ATOM 0 HD11 ILE A 186 17.390 5.590 22.521 1.00 22.47 H new ATOM 0 HD12 ILE A 186 15.807 5.640 22.512 1.00 22.47 H new ATOM 0 HD13 ILE A 186 16.643 6.985 22.486 1.00 22.47 H new ATOM 1384 N ILE A 187 13.278 7.661 27.034 1.00 20.87 N ATOM 1385 CA ILE A 187 12.421 8.685 27.639 1.00 24.54 C ATOM 1386 C ILE A 187 12.514 8.565 29.175 1.00 27.46 C ATOM 1387 O ILE A 187 12.532 9.571 29.900 1.00 27.10 O ATOM 1388 CB ILE A 187 10.957 8.553 27.171 1.00 24.34 C ATOM 1389 CG1 ILE A 187 10.739 8.691 25.654 1.00 27.03 C ATOM 1390 CG2 ILE A 187 10.087 9.523 27.952 1.00 25.33 C ATOM 1391 CD1 ILE A 187 11.224 9.965 25.062 1.00 29.12 C ATOM 0 H ILE A 187 12.854 7.061 26.586 1.00 20.87 H new ATOM 0 HA ILE A 187 12.730 9.560 27.356 1.00 24.54 H new ATOM 0 HB ILE A 187 10.693 7.639 27.360 1.00 24.34 H new ATOM 0 HG12 ILE A 187 11.184 7.953 25.209 1.00 27.03 H new ATOM 0 HG13 ILE A 187 9.791 8.604 25.468 1.00 27.03 H new ATOM 0 HG21 ILE A 187 9.166 9.441 27.658 1.00 25.33 H new ATOM 0 HG22 ILE A 187 10.144 9.319 28.899 1.00 25.33 H new ATOM 0 HG23 ILE A 187 10.395 10.430 27.798 1.00 25.33 H new ATOM 0 HD11 ILE A 187 11.047 9.967 24.108 1.00 29.12 H new ATOM 0 HD12 ILE A 187 10.763 10.711 25.477 1.00 29.12 H new ATOM 0 HD13 ILE A 187 12.178 10.050 25.214 1.00 29.12 H new ATOM 1392 N THR A 188 12.630 7.338 29.690 1.00 28.10 N ATOM 1393 CA THR A 188 12.771 7.163 31.142 1.00 29.06 C ATOM 1394 C THR A 188 14.212 7.379 31.618 1.00 31.15 C ATOM 1395 O THR A 188 14.471 7.365 32.844 1.00 33.84 O ATOM 1396 CB THR A 188 12.263 5.791 31.591 1.00 29.14 C ATOM 1397 OG1 THR A 188 12.977 4.694 31.007 1.00 31.29 O ATOM 1398 CG2 THR A 188 10.802 5.643 31.264 1.00 30.31 C ATOM 0 H THR A 188 12.630 6.611 29.231 1.00 28.10 H new ATOM 0 HA THR A 188 12.221 7.847 31.555 1.00 29.06 H new ATOM 0 HB THR A 188 12.410 5.757 32.549 1.00 29.14 H new ATOM 0 HG1 THR A 188 12.738 4.598 30.208 1.00 31.29 H new ATOM 0 HG21 THR A 188 10.492 4.770 31.553 1.00 30.31 H new ATOM 0 HG22 THR A 188 10.296 6.333 31.721 1.00 30.31 H new ATOM 0 HG23 THR A 188 10.674 5.730 30.306 1.00 30.31 H new ATOM 1399 N ARG A 189 15.143 7.594 30.715 1.00 27.70 N ATOM 1400 CA ARG A 189 16.546 7.887 31.060 1.00 31.29 C ATOM 1401 C ARG A 189 17.126 6.711 31.864 1.00 33.72 C ATOM 1402 O ARG A 189 17.936 6.913 32.752 1.00 35.92 O ATOM 1403 CB ARG A 189 16.716 9.216 31.818 1.00 35.25 C ATOM 1404 CG ARG A 189 16.288 10.476 31.073 1.00 34.29 C ATOM 1405 CD ARG A 189 16.981 10.741 29.732 1.00 38.12 C ATOM 1406 NE ARG A 189 18.422 10.997 29.829 1.00 41.24 N ATOM 1407 CZ ARG A 189 18.968 12.165 30.162 1.00 42.34 C ATOM 1408 NH1 ARG A 189 20.257 12.224 30.473 1.00 38.43 N ATOM 1409 NH2 ARG A 189 18.218 13.261 30.186 1.00 41.69 N ATOM 0 H ARG A 189 14.991 7.577 29.869 1.00 27.70 H new ATOM 0 HA ARG A 189 17.039 7.993 30.231 1.00 31.29 H new ATOM 0 HB2 ARG A 189 16.209 9.163 32.643 1.00 35.25 H new ATOM 0 HB3 ARG A 189 17.650 9.309 32.064 1.00 35.25 H new ATOM 0 HG2 ARG A 189 15.332 10.427 30.917 1.00 34.29 H new ATOM 0 HG3 ARG A 189 16.443 11.239 31.652 1.00 34.29 H new ATOM 0 HD2 ARG A 189 16.839 9.977 29.151 1.00 38.12 H new ATOM 0 HD3 ARG A 189 16.557 11.503 29.307 1.00 38.12 H new ATOM 0 HE ARG A 189 18.954 10.344 29.658 1.00 41.24 H new ATOM 0 HH11 ARG A 189 20.736 11.510 30.459 1.00 38.43 H new ATOM 0 HH12 ARG A 189 20.613 12.976 30.689 1.00 38.43 H new ATOM 0 HH21 ARG A 189 17.383 13.215 29.987 1.00 41.69 H new ATOM 0 HH22 ARG A 189 18.568 14.017 30.401 1.00 41.69 H new ATOM 1410 N SER A 190 16.770 5.492 31.486 1.00 33.34 N ATOM 1411 CA SER A 190 17.131 4.295 32.221 1.00 34.94 C ATOM 1412 C SER A 190 18.089 3.410 31.406 1.00 35.57 C ATOM 1413 O SER A 190 18.020 2.186 31.473 1.00 43.42 O ATOM 1414 CB SER A 190 15.888 3.552 32.620 1.00 34.46 C ATOM 1415 OG SER A 190 15.421 2.676 31.612 1.00 39.41 O ATOM 0 H SER A 190 16.303 5.336 30.781 1.00 33.34 H new ATOM 0 HA SER A 190 17.605 4.551 33.027 1.00 34.94 H new ATOM 0 HB2 SER A 190 16.066 3.043 33.427 1.00 34.46 H new ATOM 0 HB3 SER A 190 15.190 4.191 32.835 1.00 34.46 H new ATOM 0 HG SER A 190 16.016 2.111 31.434 1.00 39.41 H new ATOM 1416 N TYR A 191 18.971 4.018 30.615 1.00 34.73 N ATOM 1417 CA TYR A 191 19.886 3.259 29.782 1.00 28.67 C ATOM 1418 C TYR A 191 21.297 3.445 30.335 1.00 32.72 C ATOM 1419 O TYR A 191 21.574 4.431 30.998 1.00 29.83 O ATOM 1420 CB TYR A 191 19.821 3.688 28.315 1.00 29.71 C ATOM 1421 CG TYR A 191 19.928 5.176 28.118 1.00 26.15 C ATOM 1422 CD1 TYR A 191 21.168 5.777 28.034 1.00 25.78 C ATOM 1423 CD2 TYR A 191 18.802 5.981 28.101 1.00 26.17 C ATOM 1424 CE1 TYR A 191 21.284 7.140 27.913 1.00 24.08 C ATOM 1425 CE2 TYR A 191 18.900 7.356 27.973 1.00 24.62 C ATOM 1426 CZ TYR A 191 20.149 7.923 27.852 1.00 23.73 C ATOM 1427 OH TYR A 191 20.288 9.265 27.802 1.00 23.81 O ATOM 0 H TYR A 191 19.052 4.872 30.549 1.00 34.73 H new ATOM 0 HA TYR A 191 19.632 2.323 29.805 1.00 28.67 H new ATOM 0 HB2 TYR A 191 20.537 3.252 27.826 1.00 29.71 H new ATOM 0 HB3 TYR A 191 18.986 3.378 27.932 1.00 29.71 H new ATOM 0 HD1 TYR A 191 21.935 5.252 28.060 1.00 25.78 H new ATOM 0 HD2 TYR A 191 17.962 5.590 28.177 1.00 26.17 H new ATOM 0 HE1 TYR A 191 22.125 7.534 27.872 1.00 24.08 H new ATOM 0 HE2 TYR A 191 18.136 7.887 27.969 1.00 24.62 H new ATOM 0 HH TYR A 191 21.037 9.481 28.116 1.00 23.81 H new ATOM 1428 N THR A 192 22.149 2.480 30.054 1.00 29.93 N ATOM 1429 CA THR A 192 23.609 2.629 30.156 1.00 34.09 C ATOM 1430 C THR A 192 24.163 2.692 28.730 1.00 31.66 C ATOM 1431 O THR A 192 23.665 1.966 27.875 1.00 31.00 O ATOM 1432 CB THR A 192 24.225 1.427 30.886 1.00 35.85 C ATOM 1433 OG1 THR A 192 23.556 1.328 32.145 1.00 36.02 O ATOM 1434 CG2 THR A 192 25.722 1.532 31.081 1.00 39.33 C ATOM 0 H THR A 192 21.902 1.699 29.792 1.00 29.93 H new ATOM 0 HA THR A 192 23.827 3.431 30.656 1.00 34.09 H new ATOM 0 HB THR A 192 24.103 0.632 30.344 1.00 35.85 H new ATOM 0 HG1 THR A 192 24.042 0.912 32.689 1.00 36.02 H new ATOM 0 HG21 THR A 192 26.044 0.744 31.546 1.00 39.33 H new ATOM 0 HG22 THR A 192 26.157 1.597 30.217 1.00 39.33 H new ATOM 0 HG23 THR A 192 25.926 2.322 31.606 1.00 39.33 H new ATOM 1435 N THR A 193 25.159 3.530 28.491 1.00 28.27 N ATOM 1436 CA THR A 193 25.752 3.608 27.165 1.00 29.35 C ATOM 1437 C THR A 193 27.029 2.754 27.120 1.00 32.04 C ATOM 1438 O THR A 193 27.495 2.278 28.141 1.00 28.28 O ATOM 1439 CB THR A 193 26.077 5.052 26.808 1.00 30.24 C ATOM 1440 OG1 THR A 193 27.067 5.482 27.735 1.00 30.26 O ATOM 1441 CG2 THR A 193 24.861 5.953 26.831 1.00 29.80 C ATOM 0 H THR A 193 25.504 4.058 29.076 1.00 28.27 H new ATOM 0 HA THR A 193 25.115 3.269 26.517 1.00 29.35 H new ATOM 0 HB THR A 193 26.402 5.104 25.896 1.00 30.24 H new ATOM 0 HG1 THR A 193 26.709 5.960 28.326 1.00 30.26 H new ATOM 0 HG21 THR A 193 25.123 6.857 26.597 1.00 29.80 H new ATOM 0 HG22 THR A 193 24.207 5.631 26.191 1.00 29.80 H new ATOM 0 HG23 THR A 193 24.472 5.949 27.720 1.00 29.80 H new ATOM 1442 N LYS A 194 27.556 2.508 25.940 1.00 30.94 N ATOM 1443 CA LYS A 194 28.897 1.932 25.814 1.00 32.80 C ATOM 1444 C LYS A 194 29.743 2.920 25.016 1.00 32.90 C ATOM 1445 O LYS A 194 29.244 3.678 24.188 1.00 31.23 O ATOM 1446 CB LYS A 194 28.832 0.527 25.207 1.00 37.15 C ATOM 1447 CG LYS A 194 28.526 0.485 23.722 1.00 42.04 C ATOM 1448 CD LYS A 194 28.234 -0.883 23.128 1.00 43.20 C ATOM 1449 CE LYS A 194 27.400 -0.751 21.859 1.00 45.12 C ATOM 1450 NZ LYS A 194 27.906 -1.562 20.724 1.00 41.19 N ATOM 0 H LYS A 194 27.161 2.664 25.192 1.00 30.94 H new ATOM 0 HA LYS A 194 29.316 1.804 26.679 1.00 32.80 H new ATOM 0 HB2 LYS A 194 29.680 0.083 25.362 1.00 37.15 H new ATOM 0 HB3 LYS A 194 28.155 0.017 25.678 1.00 37.15 H new ATOM 0 HG2 LYS A 194 27.762 1.059 23.553 1.00 42.04 H new ATOM 0 HG3 LYS A 194 29.279 0.868 23.246 1.00 42.04 H new ATOM 0 HD2 LYS A 194 29.067 -1.338 22.928 1.00 43.20 H new ATOM 0 HD3 LYS A 194 27.761 -1.428 23.776 1.00 43.20 H new ATOM 0 HE2 LYS A 194 26.487 -1.015 22.053 1.00 45.12 H new ATOM 0 HE3 LYS A 194 27.375 0.182 21.594 1.00 45.12 H new ATOM 0 HZ1 LYS A 194 27.820 -1.101 19.968 1.00 41.19 H new ATOM 0 HZ2 LYS A 194 28.764 -1.756 20.857 1.00 41.19 H new ATOM 0 HZ3 LYS A 194 27.437 -2.316 20.666 1.00 41.19 H new ATOM 1451 N LYS A 195 31.029 2.931 25.278 1.00 36.82 N ATOM 1452 CA LYS A 195 31.923 3.774 24.524 1.00 42.21 C ATOM 1453 C LYS A 195 32.228 3.066 23.204 1.00 42.37 C ATOM 1454 O LYS A 195 32.220 1.838 23.130 1.00 35.26 O ATOM 1455 CB LYS A 195 33.175 4.096 25.347 1.00 52.07 C ATOM 1456 CG LYS A 195 32.941 5.145 26.431 1.00 63.64 C ATOM 1457 CD LYS A 195 33.553 4.803 27.779 1.00 73.90 C ATOM 1458 CE LYS A 195 32.771 5.357 28.955 1.00 80.01 C ATOM 1459 NZ LYS A 195 32.934 4.513 30.165 1.00 85.31 N ATOM 0 H LYS A 195 31.406 2.458 25.889 1.00 36.82 H new ATOM 0 HA LYS A 195 31.517 4.632 24.323 1.00 42.21 H new ATOM 0 HB2 LYS A 195 33.499 3.281 25.761 1.00 52.07 H new ATOM 0 HB3 LYS A 195 33.873 4.408 24.751 1.00 52.07 H new ATOM 0 HG2 LYS A 195 33.304 5.992 26.129 1.00 63.64 H new ATOM 0 HG3 LYS A 195 31.986 5.270 26.544 1.00 63.64 H new ATOM 0 HD2 LYS A 195 33.612 3.839 27.864 1.00 73.90 H new ATOM 0 HD3 LYS A 195 34.459 5.147 27.811 1.00 73.90 H new ATOM 0 HE2 LYS A 195 33.069 6.260 29.147 1.00 80.01 H new ATOM 0 HE3 LYS A 195 31.831 5.412 28.722 1.00 80.01 H new ATOM 0 HZ1 LYS A 195 32.465 4.862 30.836 1.00 85.31 H new ATOM 0 HZ2 LYS A 195 32.640 3.690 29.995 1.00 85.31 H new ATOM 0 HZ3 LYS A 195 33.794 4.480 30.390 1.00 85.31 H new ATOM 1460 N PRO A 196 32.450 3.849 22.148 1.00 47.46 N ATOM 1461 CA PRO A 196 32.866 3.261 20.902 1.00 46.41 C ATOM 1462 C PRO A 196 34.229 2.578 21.116 1.00 40.35 C ATOM 1463 O PRO A 196 35.014 3.044 21.931 1.00 42.92 O ATOM 1464 CB PRO A 196 32.960 4.421 19.899 1.00 48.50 C ATOM 1465 CG PRO A 196 32.586 5.653 20.700 1.00 50.49 C ATOM 1466 CD PRO A 196 32.779 5.277 22.149 1.00 49.80 C ATOM 0 HA PRO A 196 32.251 2.587 20.573 1.00 46.41 H new ATOM 0 HB2 PRO A 196 33.854 4.498 19.532 1.00 48.50 H new ATOM 0 HB3 PRO A 196 32.356 4.290 19.151 1.00 48.50 H new ATOM 0 HG2 PRO A 196 33.146 6.408 20.459 1.00 50.49 H new ATOM 0 HG3 PRO A 196 31.668 5.914 20.528 1.00 50.49 H new ATOM 0 HD2 PRO A 196 33.688 5.439 22.447 1.00 49.80 H new ATOM 0 HD3 PRO A 196 32.194 5.783 22.735 1.00 49.80 H new ATOM 1467 N GLN A 197 34.435 1.467 20.435 1.00 41.23 N ATOM 1468 CA GLN A 197 35.581 0.594 20.635 1.00 44.60 C ATOM 1469 C GLN A 197 36.679 0.861 19.603 1.00 41.54 C ATOM 1470 O GLN A 197 37.804 0.336 19.721 1.00 44.23 O ATOM 1471 CB GLN A 197 35.107 -0.850 20.553 1.00 53.91 C ATOM 1472 CG GLN A 197 33.957 -1.123 21.516 1.00 63.21 C ATOM 1473 CD GLN A 197 34.186 -2.391 22.294 1.00 68.73 C ATOM 1474 OE1 GLN A 197 34.099 -3.490 21.745 1.00 73.59 O ATOM 1475 NE2 GLN A 197 34.502 -2.240 23.573 1.00 67.14 N ATOM 0 H GLN A 197 33.897 1.189 19.824 1.00 41.23 H new ATOM 0 HA GLN A 197 35.966 0.769 21.508 1.00 44.60 H new ATOM 0 HB2 GLN A 197 34.824 -1.047 19.646 1.00 53.91 H new ATOM 0 HB3 GLN A 197 35.846 -1.445 20.754 1.00 53.91 H new ATOM 0 HG2 GLN A 197 33.862 -0.377 22.129 1.00 63.21 H new ATOM 0 HG3 GLN A 197 33.126 -1.191 21.020 1.00 63.21 H new ATOM 0 HE21 GLN A 197 34.551 -1.452 23.914 1.00 67.14 H new ATOM 0 HE22 GLN A 197 34.658 -2.930 24.062 1.00 67.14 H new ATOM 1476 N ALA A 198 36.376 1.665 18.600 1.00 30.87 N ATOM 1477 CA ALA A 198 37.358 1.982 17.575 1.00 26.34 C ATOM 1478 C ALA A 198 37.078 3.393 17.082 1.00 26.06 C ATOM 1479 O ALA A 198 35.993 3.904 17.266 1.00 25.26 O ATOM 1480 CB ALA A 198 37.309 0.972 16.452 1.00 24.54 C ATOM 0 H ALA A 198 35.609 2.038 18.492 1.00 30.87 H new ATOM 0 HA ALA A 198 38.256 1.940 17.940 1.00 26.34 H new ATOM 0 HB1 ALA A 198 37.970 1.202 15.781 1.00 24.54 H new ATOM 0 HB2 ALA A 198 37.499 0.088 16.803 1.00 24.54 H new ATOM 0 HB3 ALA A 198 36.426 0.977 16.050 1.00 24.54 H new ATOM 1481 N GLU A 199 38.073 4.003 16.475 1.00 24.41 N ATOM 1482 CA GLU A 199 37.929 5.322 15.940 1.00 25.77 C ATOM 1483 C GLU A 199 37.075 5.278 14.660 1.00 24.58 C ATOM 1484 O GLU A 199 36.245 6.179 14.420 1.00 21.71 O ATOM 1485 CB GLU A 199 39.323 5.883 15.662 1.00 27.92 C ATOM 1486 CG GLU A 199 39.314 7.257 15.051 1.00 34.25 C ATOM 1487 CD GLU A 199 38.861 8.361 15.986 1.00 41.70 C ATOM 1488 OE1 GLU A 199 38.904 8.139 17.231 1.00 42.92 O ATOM 1489 OE2 GLU A 199 38.452 9.436 15.465 1.00 43.33 O ATOM 0 H GLU A 199 38.853 3.657 16.364 1.00 24.41 H new ATOM 0 HA GLU A 199 37.475 5.900 16.573 1.00 25.77 H new ATOM 0 HB2 GLU A 199 39.823 5.911 16.493 1.00 27.92 H new ATOM 0 HB3 GLU A 199 39.794 5.277 15.068 1.00 27.92 H new ATOM 0 HG2 GLU A 199 40.208 7.463 14.735 1.00 34.25 H new ATOM 0 HG3 GLU A 199 38.733 7.249 14.274 1.00 34.25 H new ATOM 1490 N GLY A 200 37.294 4.265 13.812 1.00 22.35 N ATOM 1491 CA GLY A 200 36.636 4.233 12.516 1.00 23.81 C ATOM 1492 C GLY A 200 36.943 5.457 11.654 1.00 23.84 C ATOM 1493 O GLY A 200 38.088 5.890 11.524 1.00 22.10 O ATOM 0 H GLY A 200 37.814 3.599 13.972 1.00 22.35 H new ATOM 0 HA2 GLY A 200 36.910 3.433 12.041 1.00 23.81 H new ATOM 0 HA3 GLY A 200 35.677 4.170 12.648 1.00 23.81 H new ATOM 1494 N ASN A 201 35.917 6.019 11.021 1.00 22.13 N ATOM 1495 CA ASN A 201 36.145 6.895 9.919 1.00 21.61 C ATOM 1496 C ASN A 201 34.888 7.713 9.610 1.00 23.11 C ATOM 1497 O ASN A 201 33.774 7.356 10.038 1.00 21.28 O ATOM 1498 CB ASN A 201 36.581 6.150 8.655 1.00 21.81 C ATOM 1499 CG ASN A 201 35.478 5.300 8.060 1.00 20.36 C ATOM 1500 OD1 ASN A 201 34.894 4.489 8.767 1.00 20.55 O ATOM 1501 ND2 ASN A 201 35.189 5.491 6.781 1.00 19.30 N ATOM 0 H ASN A 201 35.090 5.897 11.225 1.00 22.13 H new ATOM 0 HA ASN A 201 36.869 7.484 10.184 1.00 21.61 H new ATOM 0 HB2 ASN A 201 36.880 6.793 7.993 1.00 21.81 H new ATOM 0 HB3 ASN A 201 37.341 5.585 8.864 1.00 21.81 H new ATOM 0 HD21 ASN A 201 34.563 5.033 6.408 1.00 19.30 H new ATOM 0 HD22 ASN A 201 35.627 6.073 6.323 1.00 19.30 H new ATOM 1502 N TYR A 202 35.118 8.787 8.863 1.00 22.81 N ATOM 1503 CA TYR A 202 34.091 9.780 8.554 1.00 24.53 C ATOM 1504 C TYR A 202 34.124 10.165 7.075 1.00 22.42 C ATOM 1505 O TYR A 202 35.182 10.352 6.479 1.00 21.28 O ATOM 1506 CB TYR A 202 34.267 10.997 9.459 1.00 25.27 C ATOM 1507 CG TYR A 202 33.267 12.086 9.203 1.00 26.21 C ATOM 1508 CD1 TYR A 202 33.436 12.946 8.131 1.00 26.70 C ATOM 1509 CD2 TYR A 202 32.191 12.277 10.047 1.00 26.58 C ATOM 1510 CE1 TYR A 202 32.537 13.963 7.885 1.00 29.34 C ATOM 1511 CE2 TYR A 202 31.296 13.308 9.827 1.00 29.44 C ATOM 1512 CZ TYR A 202 31.460 14.128 8.730 1.00 27.55 C ATOM 1513 OH TYR A 202 30.563 15.127 8.468 1.00 33.17 O ATOM 0 H TYR A 202 35.885 8.963 8.516 1.00 22.81 H new ATOM 0 HA TYR A 202 33.217 9.395 8.724 1.00 24.53 H new ATOM 0 HB2 TYR A 202 34.197 10.715 10.385 1.00 25.27 H new ATOM 0 HB3 TYR A 202 35.161 11.354 9.338 1.00 25.27 H new ATOM 0 HD1 TYR A 202 34.168 12.836 7.568 1.00 26.70 H new ATOM 0 HD2 TYR A 202 32.067 11.706 10.771 1.00 26.58 H new ATOM 0 HE1 TYR A 202 32.656 14.531 7.158 1.00 29.34 H new ATOM 0 HE2 TYR A 202 30.589 13.447 10.414 1.00 29.44 H new ATOM 0 HH TYR A 202 29.958 15.121 9.051 1.00 33.17 H new ATOM 1514 N ASN A 203 32.931 10.333 6.484 1.00 22.24 N ATOM 1515 CA ASN A 203 32.841 10.777 5.094 1.00 20.78 C ATOM 1516 C ASN A 203 31.893 11.968 4.998 1.00 22.10 C ATOM 1517 O ASN A 203 30.849 11.995 5.632 1.00 23.83 O ATOM 1518 CB ASN A 203 32.323 9.675 4.158 1.00 20.31 C ATOM 1519 CG ASN A 203 33.086 8.378 4.320 1.00 21.50 C ATOM 1520 OD1 ASN A 203 34.246 8.298 3.895 1.00 21.54 O ATOM 1521 ND2 ASN A 203 32.438 7.373 4.906 1.00 19.19 N ATOM 0 H ASN A 203 32.174 10.196 6.869 1.00 22.24 H new ATOM 0 HA ASN A 203 33.739 11.017 4.816 1.00 20.78 H new ATOM 0 HB2 ASN A 203 31.382 9.519 4.335 1.00 20.31 H new ATOM 0 HB3 ASN A 203 32.392 9.976 3.238 1.00 20.31 H new ATOM 0 HD21 ASN A 203 32.826 6.612 5.008 1.00 19.19 H new ATOM 0 HD22 ASN A 203 31.631 7.485 5.183 1.00 19.19 H new ATOM 1522 N GLY A 204 32.280 12.925 4.179 1.00 23.89 N ATOM 1523 CA GLY A 204 31.474 14.088 3.979 1.00 24.54 C ATOM 1524 C GLY A 204 30.767 14.078 2.646 1.00 26.87 C ATOM 1525 O GLY A 204 31.038 13.261 1.758 1.00 22.45 O ATOM 0 H GLY A 204 33.013 12.913 3.730 1.00 23.89 H new ATOM 0 HA2 GLY A 204 30.817 14.149 4.690 1.00 24.54 H new ATOM 0 HA3 GLY A 204 32.032 14.879 4.040 1.00 24.54 H new ATOM 1526 N ILE A 205 29.864 15.045 2.531 1.00 26.57 N ATOM 1527 CA ILE A 205 29.120 15.277 1.331 1.00 30.13 C ATOM 1528 C ILE A 205 30.074 15.444 0.146 1.00 26.94 C ATOM 1529 O ILE A 205 29.786 14.974 -0.954 1.00 24.27 O ATOM 1530 CB ILE A 205 28.217 16.513 1.507 1.00 32.98 C ATOM 1531 CG1 ILE A 205 27.004 16.449 0.579 1.00 39.85 C ATOM 1532 CG2 ILE A 205 29.015 17.797 1.318 1.00 35.86 C ATOM 1533 CD1 ILE A 205 25.902 15.549 1.123 1.00 47.23 C ATOM 0 H ILE A 205 29.672 15.589 3.169 1.00 26.57 H new ATOM 0 HA ILE A 205 28.551 14.513 1.149 1.00 30.13 H new ATOM 0 HB ILE A 205 27.877 16.514 2.415 1.00 32.98 H new ATOM 0 HG12 ILE A 205 26.652 17.344 0.449 1.00 39.85 H new ATOM 0 HG13 ILE A 205 27.283 16.124 -0.291 1.00 39.85 H new ATOM 0 HG21 ILE A 205 28.430 18.562 1.433 1.00 35.86 H new ATOM 0 HG22 ILE A 205 29.728 17.835 1.975 1.00 35.86 H new ATOM 0 HG23 ILE A 205 29.396 17.813 0.426 1.00 35.86 H new ATOM 0 HD11 ILE A 205 25.156 15.540 0.503 1.00 47.23 H new ATOM 0 HD12 ILE A 205 26.244 14.648 1.231 1.00 47.23 H new ATOM 0 HD13 ILE A 205 25.603 15.886 1.982 1.00 47.23 H new ATOM 1534 N LYS A 206 31.197 16.126 0.345 1.00 26.19 N ATOM 1535 CA LYS A 206 32.088 16.371 -0.776 1.00 30.43 C ATOM 1536 C LYS A 206 32.720 15.045 -1.236 1.00 28.50 C ATOM 1537 O LYS A 206 33.124 14.912 -2.380 1.00 24.54 O ATOM 1538 CB LYS A 206 33.153 17.422 -0.423 1.00 35.80 C ATOM 1539 CG LYS A 206 34.466 16.843 0.089 1.00 45.09 C ATOM 1540 CD LYS A 206 35.319 17.775 0.949 1.00 52.97 C ATOM 1541 CE LYS A 206 36.112 17.038 2.017 1.00 57.12 C ATOM 1542 NZ LYS A 206 36.797 15.828 1.490 1.00 61.55 N ATOM 0 H LYS A 206 31.455 16.447 1.100 1.00 26.19 H new ATOM 0 HA LYS A 206 31.573 16.735 -1.513 1.00 30.43 H new ATOM 0 HB2 LYS A 206 33.334 17.959 -1.210 1.00 35.80 H new ATOM 0 HB3 LYS A 206 32.791 18.019 0.251 1.00 35.80 H new ATOM 0 HG2 LYS A 206 34.268 16.046 0.606 1.00 45.09 H new ATOM 0 HG3 LYS A 206 34.995 16.562 -0.674 1.00 45.09 H new ATOM 0 HD2 LYS A 206 35.932 18.264 0.378 1.00 52.97 H new ATOM 0 HD3 LYS A 206 34.744 18.430 1.375 1.00 52.97 H new ATOM 0 HE2 LYS A 206 36.772 17.639 2.397 1.00 57.12 H new ATOM 0 HE3 LYS A 206 35.516 16.780 2.737 1.00 57.12 H new ATOM 0 HZ1 LYS A 206 37.459 15.598 2.039 1.00 61.55 H new ATOM 0 HZ2 LYS A 206 36.214 15.158 1.432 1.00 61.55 H new ATOM 0 HZ3 LYS A 206 37.129 16.002 0.683 1.00 61.55 H new ATOM 1543 N ASP A 207 32.853 14.091 -0.328 1.00 27.61 N ATOM 1544 CA ASP A 207 33.375 12.810 -0.675 1.00 25.43 C ATOM 1545 C ASP A 207 32.357 12.091 -1.578 1.00 22.76 C ATOM 1546 O ASP A 207 32.737 11.439 -2.548 1.00 23.97 O ATOM 1547 CB ASP A 207 33.690 11.986 0.570 1.00 26.66 C ATOM 1548 CG ASP A 207 34.794 12.612 1.418 1.00 28.99 C ATOM 1549 OD1 ASP A 207 35.836 12.965 0.830 1.00 27.53 O ATOM 1550 OD2 ASP A 207 34.622 12.674 2.645 1.00 27.56 O ATOM 0 H ASP A 207 32.641 14.179 0.501 1.00 27.61 H new ATOM 0 HA ASP A 207 34.210 12.921 -1.156 1.00 25.43 H new ATOM 0 HB2 ASP A 207 32.887 11.894 1.106 1.00 26.66 H new ATOM 0 HB3 ASP A 207 33.957 11.092 0.304 1.00 26.66 H new ATOM 1551 N PHE A 208 31.086 12.221 -1.269 1.00 21.79 N ATOM 1552 CA PHE A 208 30.083 11.630 -2.123 1.00 20.30 C ATOM 1553 C PHE A 208 30.076 12.293 -3.504 1.00 23.69 C ATOM 1554 O PHE A 208 30.061 11.626 -4.532 1.00 21.49 O ATOM 1555 CB PHE A 208 28.718 11.765 -1.476 1.00 20.88 C ATOM 1556 CG PHE A 208 27.674 11.017 -2.243 1.00 22.09 C ATOM 1557 CD1 PHE A 208 27.640 9.634 -2.206 1.00 23.97 C ATOM 1558 CD2 PHE A 208 26.748 11.683 -3.020 1.00 22.16 C ATOM 1559 CE1 PHE A 208 26.680 8.932 -2.927 1.00 22.93 C ATOM 1560 CE2 PHE A 208 25.785 10.983 -3.732 1.00 23.93 C ATOM 1561 CZ PHE A 208 25.771 9.603 -3.704 1.00 22.19 C ATOM 0 H PHE A 208 30.785 12.640 -0.581 1.00 21.79 H new ATOM 0 HA PHE A 208 30.295 10.691 -2.241 1.00 20.30 H new ATOM 0 HB2 PHE A 208 28.755 11.431 -0.566 1.00 20.88 H new ATOM 0 HB3 PHE A 208 28.474 12.702 -1.424 1.00 20.88 H new ATOM 0 HD1 PHE A 208 28.264 9.171 -1.695 1.00 23.97 H new ATOM 0 HD2 PHE A 208 26.770 12.612 -3.067 1.00 22.16 H new ATOM 0 HE1 PHE A 208 26.654 8.003 -2.882 1.00 22.93 H new ATOM 0 HE2 PHE A 208 25.148 11.444 -4.229 1.00 23.93 H new ATOM 0 HZ PHE A 208 25.149 9.131 -4.209 1.00 22.19 H new ATOM 1562 N ASN A 209 30.133 13.617 -3.552 1.00 24.90 N ATOM 1563 CA ASN A 209 30.149 14.301 -4.841 1.00 26.76 C ATOM 1564 C ASN A 209 31.333 13.825 -5.684 1.00 27.17 C ATOM 1565 O ASN A 209 31.218 13.693 -6.889 1.00 29.05 O ATOM 1566 CB ASN A 209 30.123 15.820 -4.676 1.00 26.69 C ATOM 1567 CG ASN A 209 28.816 16.315 -4.095 1.00 33.12 C ATOM 1568 OD1 ASN A 209 27.746 15.758 -4.331 1.00 36.26 O ATOM 1569 ND2 ASN A 209 28.879 17.384 -3.331 1.00 33.97 N ATOM 0 H ASN A 209 30.163 14.132 -2.864 1.00 24.90 H new ATOM 0 HA ASN A 209 29.338 14.068 -5.319 1.00 26.76 H new ATOM 0 HB2 ASN A 209 30.854 16.093 -4.100 1.00 26.69 H new ATOM 0 HB3 ASN A 209 30.270 16.239 -5.538 1.00 26.69 H new ATOM 0 HD21 ASN A 209 28.162 17.708 -2.984 1.00 33.97 H new ATOM 0 HD22 ASN A 209 29.638 17.759 -3.178 1.00 33.97 H new ATOM 1570 N ALA A 210 32.453 13.544 -5.052 1.00 26.89 N ATOM 1571 CA ALA A 210 33.614 13.108 -5.773 1.00 28.44 C ATOM 1572 C ALA A 210 33.371 11.717 -6.377 1.00 27.77 C ATOM 1573 O ALA A 210 33.889 11.416 -7.429 1.00 28.25 O ATOM 1574 CB ALA A 210 34.816 13.105 -4.858 1.00 28.75 C ATOM 0 H ALA A 210 32.558 13.601 -4.200 1.00 26.89 H new ATOM 0 HA ALA A 210 33.789 13.724 -6.502 1.00 28.44 H new ATOM 0 HB1 ALA A 210 35.597 12.809 -5.351 1.00 28.75 H new ATOM 0 HB2 ALA A 210 34.968 14.001 -4.520 1.00 28.75 H new ATOM 0 HB3 ALA A 210 34.656 12.502 -4.115 1.00 28.75 H new ATOM 1575 N LEU A 211 32.629 10.877 -5.687 1.00 26.33 N ATOM 1576 CA LEU A 211 32.279 9.576 -6.223 1.00 24.68 C ATOM 1577 C LEU A 211 31.452 9.787 -7.490 1.00 23.98 C ATOM 1578 O LEU A 211 31.592 9.029 -8.458 1.00 24.36 O ATOM 1579 CB LEU A 211 31.448 8.778 -5.215 1.00 26.41 C ATOM 1580 CG LEU A 211 32.114 8.268 -3.937 1.00 28.61 C ATOM 1581 CD1 LEU A 211 31.092 7.488 -3.134 1.00 26.60 C ATOM 1582 CD2 LEU A 211 33.320 7.386 -4.246 1.00 30.37 C ATOM 0 H LEU A 211 32.315 11.039 -4.903 1.00 26.33 H new ATOM 0 HA LEU A 211 33.091 9.081 -6.414 1.00 24.68 H new ATOM 0 HB2 LEU A 211 30.697 9.333 -4.952 1.00 26.41 H new ATOM 0 HB3 LEU A 211 31.083 8.009 -5.681 1.00 26.41 H new ATOM 0 HG LEU A 211 32.434 9.029 -3.427 1.00 28.61 H new ATOM 0 HD11 LEU A 211 31.503 7.159 -2.319 1.00 26.60 H new ATOM 0 HD12 LEU A 211 30.347 8.067 -2.909 1.00 26.60 H new ATOM 0 HD13 LEU A 211 30.771 6.739 -3.659 1.00 26.60 H new ATOM 0 HD21 LEU A 211 33.718 7.080 -3.416 1.00 30.37 H new ATOM 0 HD22 LEU A 211 33.036 6.620 -4.769 1.00 30.37 H new ATOM 0 HD23 LEU A 211 33.974 7.896 -4.749 1.00 30.37 H new ATOM 1583 N CYS A 212 30.545 10.785 -7.445 1.00 22.84 N ATOM 1584 CA CYS A 212 29.547 11.007 -8.514 1.00 23.05 C ATOM 1585 C CYS A 212 30.186 11.561 -9.808 1.00 24.62 C ATOM 1586 O CYS A 212 29.707 11.304 -10.929 1.00 23.61 O ATOM 1587 CB CYS A 212 28.487 11.995 -8.054 1.00 22.69 C ATOM 1588 SG CYS A 212 27.361 11.328 -6.811 1.00 24.59 S ATOM 0 H CYS A 212 30.493 11.348 -6.797 1.00 22.84 H new ATOM 0 HA CYS A 212 29.153 10.141 -8.704 1.00 23.05 H new ATOM 0 HB2 CYS A 212 28.925 12.782 -7.693 1.00 22.69 H new ATOM 0 HB3 CYS A 212 27.972 12.285 -8.823 1.00 22.69 H new ATOM 0 HG CYS A 212 26.561 12.168 -6.503 1.00 24.59 H new ATOM 1589 N GLU A 213 31.264 12.344 -9.655 1.00 26.06 N ATOM 1590 CA GLU A 213 31.952 12.940 -10.808 1.00 26.73 C ATOM 1591 C GLU A 213 32.812 11.884 -11.460 1.00 24.41 C ATOM 1592 O GLU A 213 33.955 11.771 -11.125 1.00 24.72 O ATOM 1593 CB GLU A 213 32.875 14.082 -10.386 1.00 32.80 C ATOM 1594 CG GLU A 213 32.126 15.251 -9.796 1.00 39.60 C ATOM 1595 CD GLU A 213 33.018 16.392 -9.340 1.00 45.27 C ATOM 1596 OE1 GLU A 213 33.917 16.781 -10.131 1.00 49.04 O ATOM 1597 OE2 GLU A 213 32.827 16.865 -8.195 1.00 51.27 O ATOM 0 H GLU A 213 31.611 12.541 -8.893 1.00 26.06 H new ATOM 0 HA GLU A 213 31.275 13.283 -11.412 1.00 26.73 H new ATOM 0 HB2 GLU A 213 33.515 13.752 -9.736 1.00 32.80 H new ATOM 0 HB3 GLU A 213 33.382 14.384 -11.156 1.00 32.80 H new ATOM 0 HG2 GLU A 213 31.499 15.587 -10.455 1.00 39.60 H new ATOM 0 HG3 GLU A 213 31.603 14.940 -9.040 1.00 39.60 H new ATOM 1598 N LEU A 214 32.243 11.097 -12.365 1.00 24.17 N ATOM 1599 CA LEU A 214 32.970 9.970 -12.930 1.00 22.98 C ATOM 1600 C LEU A 214 34.091 10.482 -13.843 1.00 22.27 C ATOM 1601 O LEU A 214 33.913 11.435 -14.594 1.00 26.79 O ATOM 1602 CB LEU A 214 32.017 9.117 -13.772 1.00 21.28 C ATOM 1603 CG LEU A 214 30.845 8.471 -13.038 1.00 20.99 C ATOM 1604 CD1 LEU A 214 29.931 7.796 -14.025 1.00 20.37 C ATOM 1605 CD2 LEU A 214 31.304 7.463 -12.004 1.00 22.72 C ATOM 0 H LEU A 214 31.443 11.198 -12.663 1.00 24.17 H new ATOM 0 HA LEU A 214 33.344 9.443 -12.206 1.00 22.98 H new ATOM 0 HB2 LEU A 214 31.660 9.673 -14.482 1.00 21.28 H new ATOM 0 HB3 LEU A 214 32.534 8.414 -14.195 1.00 21.28 H new ATOM 0 HG LEU A 214 30.371 9.178 -12.573 1.00 20.99 H new ATOM 0 HD11 LEU A 214 29.189 7.388 -13.552 1.00 20.37 H new ATOM 0 HD12 LEU A 214 29.592 8.452 -14.653 1.00 20.37 H new ATOM 0 HD13 LEU A 214 30.423 7.112 -14.506 1.00 20.37 H new ATOM 0 HD21 LEU A 214 30.531 7.077 -11.562 1.00 22.72 H new ATOM 0 HD22 LEU A 214 31.811 6.760 -12.440 1.00 22.72 H new ATOM 0 HD23 LEU A 214 31.864 7.905 -11.347 1.00 22.72 H new ATOM 1606 N ASP A 215 35.239 9.850 -13.753 1.00 24.94 N ATOM 1607 CA ASP A 215 36.334 10.178 -14.639 1.00 27.77 C ATOM 1608 C ASP A 215 36.532 9.009 -15.598 1.00 24.13 C ATOM 1609 O ASP A 215 37.006 7.951 -15.194 1.00 22.96 O ATOM 1610 CB ASP A 215 37.595 10.508 -13.845 1.00 32.60 C ATOM 1611 CG ASP A 215 38.824 10.771 -14.708 1.00 35.82 C ATOM 1612 OD1 ASP A 215 38.709 10.700 -15.948 1.00 32.04 O ATOM 1613 OD2 ASP A 215 39.894 11.031 -14.120 1.00 37.36 O ATOM 0 H ASP A 215 35.408 9.226 -13.185 1.00 24.94 H new ATOM 0 HA ASP A 215 36.130 10.974 -15.155 1.00 27.77 H new ATOM 0 HB2 ASP A 215 37.424 11.289 -13.296 1.00 32.60 H new ATOM 0 HB3 ASP A 215 37.787 9.773 -13.241 1.00 32.60 H new ATOM 1614 N LEU A 216 36.142 9.213 -16.845 1.00 25.30 N ATOM 1615 CA LEU A 216 36.161 8.134 -17.805 1.00 26.65 C ATOM 1616 C LEU A 216 37.588 7.634 -18.020 1.00 27.88 C ATOM 1617 O LEU A 216 37.721 6.529 -18.469 1.00 26.54 O ATOM 1618 CB LEU A 216 35.554 8.590 -19.134 1.00 29.08 C ATOM 1619 CG LEU A 216 34.065 8.895 -19.086 1.00 28.47 C ATOM 1620 CD1 LEU A 216 33.564 9.374 -20.431 1.00 31.08 C ATOM 1621 CD2 LEU A 216 33.275 7.689 -18.621 1.00 28.80 C ATOM 0 H LEU A 216 35.864 9.967 -17.152 1.00 25.30 H new ATOM 0 HA LEU A 216 35.627 7.404 -17.455 1.00 26.65 H new ATOM 0 HB2 LEU A 216 36.024 9.384 -19.434 1.00 29.08 H new ATOM 0 HB3 LEU A 216 35.709 7.901 -19.799 1.00 29.08 H new ATOM 0 HG LEU A 216 33.932 9.608 -18.442 1.00 28.47 H new ATOM 0 HD11 LEU A 216 32.614 9.561 -20.375 1.00 31.08 H new ATOM 0 HD12 LEU A 216 34.038 10.182 -20.684 1.00 31.08 H new ATOM 0 HD13 LEU A 216 33.718 8.686 -21.098 1.00 31.08 H new ATOM 0 HD21 LEU A 216 32.331 7.909 -18.599 1.00 28.80 H new ATOM 0 HD22 LEU A 216 33.420 6.951 -19.233 1.00 28.80 H new ATOM 0 HD23 LEU A 216 33.568 7.433 -17.732 1.00 28.80 H new ATOM 1622 N ASN A 217 38.621 8.457 -17.738 1.00 32.99 N ATOM 1623 CA ASN A 217 40.035 8.112 -18.051 1.00 30.77 C ATOM 1624 C ASN A 217 40.660 7.344 -16.884 1.00 34.70 C ATOM 1625 O ASN A 217 41.717 6.726 -17.014 1.00 35.46 O ATOM 1626 CB ASN A 217 40.836 9.368 -18.416 1.00 32.86 C ATOM 1627 CG ASN A 217 40.376 9.929 -19.740 1.00 33.37 C ATOM 1628 OD1 ASN A 217 40.233 9.190 -20.697 1.00 36.81 O ATOM 1629 ND2 ASN A 217 40.099 11.212 -19.818 1.00 36.77 N ATOM 0 H ASN A 217 38.525 9.225 -17.363 1.00 32.99 H new ATOM 0 HA ASN A 217 40.055 7.532 -18.828 1.00 30.77 H new ATOM 0 HB2 ASN A 217 40.731 10.037 -17.722 1.00 32.86 H new ATOM 0 HB3 ASN A 217 41.781 9.153 -18.461 1.00 32.86 H new ATOM 0 HD21 ASN A 217 39.810 11.545 -20.556 1.00 36.77 H new ATOM 0 HD22 ASN A 217 40.207 11.718 -19.131 1.00 36.77 H new ATOM 1630 N SER A 218 39.980 7.354 -15.745 1.00 32.37 N ATOM 1631 CA SER A 218 40.509 6.785 -14.546 1.00 31.46 C ATOM 1632 C SER A 218 40.734 5.281 -14.703 1.00 30.96 C ATOM 1633 O SER A 218 39.912 4.601 -15.282 1.00 33.42 O ATOM 1634 CB SER A 218 39.573 7.050 -13.416 1.00 33.42 C ATOM 1635 OG SER A 218 40.163 6.612 -12.221 1.00 32.31 O ATOM 0 H SER A 218 39.196 7.696 -15.659 1.00 32.37 H new ATOM 0 HA SER A 218 41.368 7.196 -14.360 1.00 31.46 H new ATOM 0 HB2 SER A 218 39.372 7.997 -13.363 1.00 33.42 H new ATOM 0 HB3 SER A 218 38.732 6.590 -13.563 1.00 33.42 H new ATOM 0 HG SER A 218 39.915 5.826 -12.058 1.00 32.31 H new ATOM 1636 N ILE A 219 41.833 4.780 -14.163 1.00 27.67 N ATOM 1637 CA ILE A 219 42.215 3.417 -14.349 1.00 31.25 C ATOM 1638 C ILE A 219 41.995 2.698 -13.021 1.00 34.38 C ATOM 1639 O ILE A 219 42.405 3.185 -11.959 1.00 34.93 O ATOM 1640 CB ILE A 219 43.685 3.332 -14.826 1.00 32.03 C ATOM 1641 CG1 ILE A 219 43.887 4.062 -16.154 1.00 34.51 C ATOM 1642 CG2 ILE A 219 44.140 1.890 -14.908 1.00 33.96 C ATOM 1643 CD1 ILE A 219 45.346 4.226 -16.581 1.00 39.09 C ATOM 0 H ILE A 219 42.376 5.235 -13.675 1.00 27.67 H new ATOM 0 HA ILE A 219 41.680 2.991 -15.037 1.00 31.25 H new ATOM 0 HB ILE A 219 44.238 3.781 -14.168 1.00 32.03 H new ATOM 0 HG12 ILE A 219 43.412 3.580 -16.849 1.00 34.51 H new ATOM 0 HG13 ILE A 219 43.481 4.941 -16.090 1.00 34.51 H new ATOM 0 HG21 ILE A 219 45.062 1.858 -15.208 1.00 33.96 H new ATOM 0 HG22 ILE A 219 44.071 1.478 -14.032 1.00 33.96 H new ATOM 0 HG23 ILE A 219 43.579 1.409 -15.536 1.00 33.96 H new ATOM 0 HD11 ILE A 219 45.384 4.696 -17.428 1.00 39.09 H new ATOM 0 HD12 ILE A 219 45.825 4.734 -15.908 1.00 39.09 H new ATOM 0 HD13 ILE A 219 45.755 3.352 -16.678 1.00 39.09 H new ATOM 1644 N GLY A 220 41.336 1.557 -13.078 1.00 32.08 N ATOM 1645 CA GLY A 220 41.111 0.770 -11.880 1.00 33.07 C ATOM 1646 C GLY A 220 40.567 -0.602 -12.214 1.00 29.03 C ATOM 1647 O GLY A 220 40.367 -0.925 -13.380 1.00 29.87 O ATOM 0 H GLY A 220 41.010 1.219 -13.799 1.00 32.08 H new ATOM 0 HA2 GLY A 220 41.943 0.679 -11.390 1.00 33.07 H new ATOM 0 HA3 GLY A 220 40.488 1.234 -11.299 1.00 33.07 H new ATOM 1648 N THR A 221 40.300 -1.394 -11.184 1.00 27.58 N ATOM 1649 CA THR A 221 39.673 -2.667 -11.411 1.00 26.00 C ATOM 1650 C THR A 221 38.171 -2.499 -11.733 1.00 27.82 C ATOM 1651 O THR A 221 37.536 -1.491 -11.350 1.00 24.11 O ATOM 1652 CB THR A 221 39.834 -3.597 -10.216 1.00 26.47 C ATOM 1653 OG1 THR A 221 39.045 -3.107 -9.130 1.00 24.89 O ATOM 1654 CG2 THR A 221 41.289 -3.760 -9.816 1.00 28.45 C ATOM 0 H THR A 221 40.474 -1.210 -10.362 1.00 27.58 H new ATOM 0 HA THR A 221 40.120 -3.066 -12.174 1.00 26.00 H new ATOM 0 HB THR A 221 39.520 -4.480 -10.465 1.00 26.47 H new ATOM 0 HG1 THR A 221 39.130 -3.618 -8.469 1.00 24.89 H new ATOM 0 HG21 THR A 221 41.350 -4.357 -9.054 1.00 28.45 H new ATOM 0 HG22 THR A 221 41.789 -4.132 -10.559 1.00 28.45 H new ATOM 0 HG23 THR A 221 41.658 -2.895 -9.579 1.00 28.45 H new ATOM 1655 N LEU A 222 37.618 -3.501 -12.411 1.00 23.64 N ATOM 1656 CA LEU A 222 36.202 -3.473 -12.698 1.00 23.23 C ATOM 1657 C LEU A 222 35.457 -3.457 -11.367 1.00 23.03 C ATOM 1658 O LEU A 222 34.467 -2.754 -11.258 1.00 21.49 O ATOM 1659 CB LEU A 222 35.804 -4.664 -13.568 1.00 22.24 C ATOM 1660 CG LEU A 222 34.293 -4.822 -13.805 1.00 21.64 C ATOM 1661 CD1 LEU A 222 33.740 -3.619 -14.559 1.00 21.72 C ATOM 1662 CD2 LEU A 222 34.020 -6.085 -14.574 1.00 22.96 C ATOM 0 H LEU A 222 38.040 -4.190 -12.706 1.00 23.64 H new ATOM 0 HA LEU A 222 35.969 -2.679 -13.203 1.00 23.23 H new ATOM 0 HB2 LEU A 222 36.245 -4.581 -14.428 1.00 22.24 H new ATOM 0 HB3 LEU A 222 36.139 -5.475 -13.155 1.00 22.24 H new ATOM 0 HG LEU A 222 33.850 -4.875 -12.944 1.00 21.64 H new ATOM 0 HD11 LEU A 222 32.787 -3.735 -14.700 1.00 21.72 H new ATOM 0 HD12 LEU A 222 33.894 -2.813 -14.041 1.00 21.72 H new ATOM 0 HD13 LEU A 222 34.186 -3.542 -15.417 1.00 21.72 H new ATOM 0 HD21 LEU A 222 33.065 -6.176 -14.719 1.00 22.96 H new ATOM 0 HD22 LEU A 222 34.474 -6.047 -15.430 1.00 22.96 H new ATOM 0 HD23 LEU A 222 34.344 -6.848 -14.070 1.00 22.96 H new ATOM 1663 N ASP A 223 35.966 -4.183 -10.364 1.00 21.46 N ATOM 1664 CA ASP A 223 35.357 -4.221 -9.055 1.00 24.01 C ATOM 1665 C ASP A 223 35.212 -2.799 -8.490 1.00 25.93 C ATOM 1666 O ASP A 223 34.155 -2.453 -7.956 1.00 22.45 O ATOM 1667 CB ASP A 223 36.183 -5.039 -8.069 1.00 27.58 C ATOM 1668 CG ASP A 223 35.428 -5.347 -6.810 1.00 29.88 C ATOM 1669 OD1 ASP A 223 34.341 -5.890 -6.922 1.00 30.11 O ATOM 1670 OD2 ASP A 223 35.913 -4.954 -5.743 1.00 36.42 O ATOM 0 H ASP A 223 36.675 -4.664 -10.436 1.00 21.46 H new ATOM 0 HA ASP A 223 34.487 -4.636 -9.163 1.00 24.01 H new ATOM 0 HB2 ASP A 223 36.457 -5.869 -8.490 1.00 27.58 H new ATOM 0 HB3 ASP A 223 36.992 -4.553 -7.847 1.00 27.58 H new ATOM 1671 N GLU A 224 36.288 -2.012 -8.584 1.00 26.94 N ATOM 1672 CA GLU A 224 36.321 -0.627 -8.055 1.00 28.20 C ATOM 1673 C GLU A 224 35.190 0.182 -8.711 1.00 23.40 C ATOM 1674 O GLU A 224 34.425 0.912 -8.039 1.00 21.97 O ATOM 1675 CB GLU A 224 37.665 0.054 -8.377 1.00 30.90 C ATOM 1676 CG GLU A 224 38.617 0.226 -7.220 1.00 39.66 C ATOM 1677 CD GLU A 224 40.092 0.018 -7.564 1.00 41.58 C ATOM 1678 OE1 GLU A 224 40.523 0.351 -8.691 1.00 40.45 O ATOM 1679 OE2 GLU A 224 40.806 -0.517 -6.702 1.00 43.85 O ATOM 0 H GLU A 224 37.023 -2.260 -8.955 1.00 26.94 H new ATOM 0 HA GLU A 224 36.210 -0.660 -7.092 1.00 28.20 H new ATOM 0 HB2 GLU A 224 38.112 -0.463 -9.065 1.00 30.90 H new ATOM 0 HB3 GLU A 224 37.481 0.929 -8.754 1.00 30.90 H new ATOM 0 HG2 GLU A 224 38.506 1.118 -6.857 1.00 39.66 H new ATOM 0 HG3 GLU A 224 38.371 -0.398 -6.520 1.00 39.66 H new ATOM 1680 N HIS A 225 35.085 0.004 -10.023 1.00 22.90 N ATOM 1681 CA HIS A 225 34.180 0.786 -10.855 1.00 22.50 C ATOM 1682 C HIS A 225 32.730 0.358 -10.593 1.00 20.86 C ATOM 1683 O HIS A 225 31.867 1.202 -10.447 1.00 20.91 O ATOM 1684 CB HIS A 225 34.571 0.665 -12.335 1.00 24.45 C ATOM 1685 CG HIS A 225 35.880 1.313 -12.634 1.00 27.52 C ATOM 1686 ND1 HIS A 225 36.616 1.035 -13.772 1.00 27.12 N ATOM 1687 CD2 HIS A 225 36.591 2.232 -11.927 1.00 29.10 C ATOM 1688 CE1 HIS A 225 37.724 1.760 -13.757 1.00 30.19 C ATOM 1689 NE2 HIS A 225 37.724 2.524 -12.637 1.00 27.05 N ATOM 0 H HIS A 225 35.542 -0.580 -10.459 1.00 22.90 H new ATOM 0 HA HIS A 225 34.253 1.725 -10.622 1.00 22.50 H new ATOM 0 HB2 HIS A 225 34.614 -0.273 -12.579 1.00 24.45 H new ATOM 0 HB3 HIS A 225 33.880 1.069 -12.883 1.00 24.45 H new ATOM 0 HD1 HIS A 225 36.390 0.481 -14.390 1.00 27.12 H new ATOM 0 HD2 HIS A 225 36.350 2.597 -11.106 1.00 29.10 H new ATOM 0 HE1 HIS A 225 38.390 1.747 -14.406 1.00 30.19 H new ATOM 1690 N LEU A 226 32.498 -0.939 -10.480 1.00 17.62 N ATOM 1691 CA LEU A 226 31.149 -1.396 -10.181 1.00 18.76 C ATOM 1692 C LEU A 226 30.719 -0.906 -8.795 1.00 19.22 C ATOM 1693 O LEU A 226 29.565 -0.528 -8.631 1.00 19.04 O ATOM 1694 CB LEU A 226 31.066 -2.918 -10.298 1.00 19.20 C ATOM 1695 CG LEU A 226 31.148 -3.482 -11.716 1.00 19.82 C ATOM 1696 CD1 LEU A 226 30.958 -4.985 -11.666 1.00 23.88 C ATOM 1697 CD2 LEU A 226 30.130 -2.849 -12.627 1.00 22.05 C ATOM 0 H LEU A 226 33.088 -1.558 -10.569 1.00 17.62 H new ATOM 0 HA LEU A 226 30.533 -1.020 -10.829 1.00 18.76 H new ATOM 0 HB2 LEU A 226 31.783 -3.305 -9.772 1.00 19.20 H new ATOM 0 HB3 LEU A 226 30.232 -3.211 -9.899 1.00 19.20 H new ATOM 0 HG LEU A 226 32.023 -3.275 -12.080 1.00 19.82 H new ATOM 0 HD11 LEU A 226 31.009 -5.348 -12.564 1.00 23.88 H new ATOM 0 HD12 LEU A 226 31.653 -5.381 -11.118 1.00 23.88 H new ATOM 0 HD13 LEU A 226 30.090 -5.189 -11.284 1.00 23.88 H new ATOM 0 HD21 LEU A 226 30.210 -3.229 -13.516 1.00 22.05 H new ATOM 0 HD22 LEU A 226 29.239 -3.017 -12.283 1.00 22.05 H new ATOM 0 HD23 LEU A 226 30.284 -1.892 -12.670 1.00 22.05 H new ATOM 1698 N LYS A 227 31.630 -0.865 -7.842 1.00 18.53 N ATOM 1699 CA LYS A 227 31.312 -0.385 -6.522 1.00 19.10 C ATOM 1700 C LYS A 227 30.944 1.092 -6.554 1.00 19.30 C ATOM 1701 O LYS A 227 30.053 1.478 -5.836 1.00 16.54 O ATOM 1702 CB LYS A 227 32.457 -0.661 -5.563 1.00 21.32 C ATOM 1703 CG LYS A 227 32.480 -2.110 -5.138 1.00 25.84 C ATOM 1704 CD LYS A 227 33.728 -2.501 -4.387 1.00 28.82 C ATOM 1705 CE LYS A 227 33.564 -3.913 -3.866 1.00 32.95 C ATOM 1706 NZ LYS A 227 34.819 -4.427 -3.269 1.00 35.66 N ATOM 0 H LYS A 227 32.447 -1.114 -7.944 1.00 18.53 H new ATOM 0 HA LYS A 227 30.535 -0.867 -6.198 1.00 19.10 H new ATOM 0 HB2 LYS A 227 33.299 -0.433 -5.987 1.00 21.32 H new ATOM 0 HB3 LYS A 227 32.370 -0.094 -4.781 1.00 21.32 H new ATOM 0 HG2 LYS A 227 31.707 -2.287 -4.580 1.00 25.84 H new ATOM 0 HG3 LYS A 227 32.396 -2.671 -5.925 1.00 25.84 H new ATOM 0 HD2 LYS A 227 34.501 -2.446 -4.970 1.00 28.82 H new ATOM 0 HD3 LYS A 227 33.883 -1.888 -3.652 1.00 28.82 H new ATOM 0 HE2 LYS A 227 32.858 -3.933 -3.202 1.00 32.95 H new ATOM 0 HE3 LYS A 227 33.288 -4.496 -4.591 1.00 32.95 H new ATOM 0 HZ1 LYS A 227 34.661 -5.207 -2.871 1.00 35.66 H new ATOM 0 HZ2 LYS A 227 35.428 -4.539 -3.908 1.00 35.66 H new ATOM 0 HZ3 LYS A 227 35.123 -3.844 -2.669 1.00 35.66 H new ATOM 1707 N ILE A 228 31.636 1.885 -7.358 1.00 18.79 N ATOM 1708 CA ILE A 228 31.285 3.293 -7.469 1.00 21.05 C ATOM 1709 C ILE A 228 29.841 3.428 -7.983 1.00 20.26 C ATOM 1710 O ILE A 228 29.011 4.235 -7.479 1.00 19.43 O ATOM 1711 CB ILE A 228 32.302 3.985 -8.387 1.00 21.91 C ATOM 1712 CG1 ILE A 228 33.672 4.112 -7.715 1.00 24.62 C ATOM 1713 CG2 ILE A 228 31.791 5.343 -8.836 1.00 23.25 C ATOM 1714 CD1 ILE A 228 34.736 4.599 -8.675 1.00 25.97 C ATOM 0 H ILE A 228 32.302 1.634 -7.841 1.00 18.79 H new ATOM 0 HA ILE A 228 31.320 3.727 -6.602 1.00 21.05 H new ATOM 0 HB ILE A 228 32.413 3.427 -9.173 1.00 21.91 H new ATOM 0 HG12 ILE A 228 33.608 4.726 -6.967 1.00 24.62 H new ATOM 0 HG13 ILE A 228 33.934 3.251 -7.353 1.00 24.62 H new ATOM 0 HG21 ILE A 228 32.448 5.761 -9.414 1.00 23.25 H new ATOM 0 HG22 ILE A 228 30.959 5.231 -9.321 1.00 23.25 H new ATOM 0 HG23 ILE A 228 31.639 5.905 -8.060 1.00 23.25 H new ATOM 0 HD11 ILE A 228 35.585 4.665 -8.211 1.00 25.97 H new ATOM 0 HD12 ILE A 228 34.819 3.973 -9.411 1.00 25.97 H new ATOM 0 HD13 ILE A 228 34.487 5.471 -9.019 1.00 25.97 H new ATOM 1715 N LEU A 229 29.509 2.630 -8.989 1.00 18.55 N ATOM 1716 CA LEU A 229 28.176 2.707 -9.564 1.00 18.67 C ATOM 1717 C LEU A 229 27.156 2.217 -8.532 1.00 19.58 C ATOM 1718 O LEU A 229 26.118 2.865 -8.348 1.00 19.42 O ATOM 1719 CB LEU A 229 28.091 1.877 -10.852 1.00 20.65 C ATOM 1720 CG LEU A 229 29.001 2.311 -11.997 1.00 20.47 C ATOM 1721 CD1 LEU A 229 28.720 1.484 -13.252 1.00 21.90 C ATOM 1722 CD2 LEU A 229 28.846 3.783 -12.323 1.00 21.12 C ATOM 0 H LEU A 229 30.030 2.047 -9.347 1.00 18.55 H new ATOM 0 HA LEU A 229 27.979 3.628 -9.796 1.00 18.67 H new ATOM 0 HB2 LEU A 229 28.295 0.954 -10.634 1.00 20.65 H new ATOM 0 HB3 LEU A 229 27.174 1.897 -11.167 1.00 20.65 H new ATOM 0 HG LEU A 229 29.913 2.160 -11.702 1.00 20.47 H new ATOM 0 HD11 LEU A 229 29.307 1.773 -13.968 1.00 21.90 H new ATOM 0 HD12 LEU A 229 28.878 0.546 -13.064 1.00 21.90 H new ATOM 0 HD13 LEU A 229 27.796 1.608 -13.521 1.00 21.90 H new ATOM 0 HD21 LEU A 229 29.440 4.017 -13.053 1.00 21.12 H new ATOM 0 HD22 LEU A 229 27.929 3.962 -12.582 1.00 21.12 H new ATOM 0 HD23 LEU A 229 29.070 4.313 -11.542 1.00 21.12 H new ATOM 1723 N ARG A 230 27.393 1.081 -7.859 1.00 16.63 N ATOM 1724 CA ARG A 230 26.428 0.620 -6.871 1.00 19.06 C ATOM 1725 C ARG A 230 26.232 1.658 -5.756 1.00 19.03 C ATOM 1726 O ARG A 230 25.087 1.837 -5.279 1.00 17.69 O ATOM 1727 CB ARG A 230 26.881 -0.687 -6.199 1.00 18.40 C ATOM 1728 CG ARG A 230 26.937 -1.846 -7.176 1.00 19.09 C ATOM 1729 CD ARG A 230 27.733 -2.971 -6.603 1.00 19.03 C ATOM 1730 NE ARG A 230 27.166 -3.437 -5.354 1.00 22.00 N ATOM 1731 CZ ARG A 230 27.896 -3.937 -4.356 1.00 22.48 C ATOM 1732 NH1 ARG A 230 27.308 -4.156 -3.195 1.00 20.50 N ATOM 1733 NH2 ARG A 230 29.199 -4.177 -4.523 1.00 20.04 N ATOM 0 H ARG A 230 28.086 0.582 -7.960 1.00 16.63 H new ATOM 0 HA ARG A 230 25.599 0.478 -7.355 1.00 19.06 H new ATOM 0 HB2 ARG A 230 27.757 -0.558 -5.803 1.00 18.40 H new ATOM 0 HB3 ARG A 230 26.272 -0.905 -5.476 1.00 18.40 H new ATOM 0 HG2 ARG A 230 26.038 -2.149 -7.380 1.00 19.09 H new ATOM 0 HG3 ARG A 230 27.334 -1.554 -8.011 1.00 19.09 H new ATOM 0 HD2 ARG A 230 27.765 -3.703 -7.239 1.00 19.03 H new ATOM 0 HD3 ARG A 230 28.647 -2.681 -6.457 1.00 19.03 H new ATOM 0 HE ARG A 230 26.314 -3.389 -5.251 1.00 22.00 H new ATOM 0 HH11 ARG A 230 26.473 -3.977 -3.095 1.00 20.50 H new ATOM 0 HH12 ARG A 230 27.760 -4.478 -2.538 1.00 20.50 H new ATOM 0 HH21 ARG A 230 29.574 -4.009 -5.279 1.00 20.04 H new ATOM 0 HH22 ARG A 230 29.663 -4.499 -3.875 1.00 20.04 H new ATOM 1734 N ALA A 231 27.330 2.281 -5.319 1.00 18.19 N ATOM 1735 CA ALA A 231 27.274 3.268 -4.194 1.00 18.94 C ATOM 1736 C ALA A 231 26.485 4.516 -4.607 1.00 18.36 C ATOM 1737 O ALA A 231 25.919 5.170 -3.740 1.00 17.35 O ATOM 1738 CB ALA A 231 28.656 3.689 -3.758 1.00 18.16 C ATOM 0 H ALA A 231 28.116 2.158 -5.647 1.00 18.19 H new ATOM 0 HA ALA A 231 26.829 2.828 -3.452 1.00 18.94 H new ATOM 0 HB1 ALA A 231 28.586 4.327 -3.030 1.00 18.16 H new ATOM 0 HB2 ALA A 231 29.152 2.911 -3.459 1.00 18.16 H new ATOM 0 HB3 ALA A 231 29.120 4.100 -4.504 1.00 18.16 H new ATOM 1739 N THR A 232 26.473 4.826 -5.901 1.00 17.63 N ATOM 1740 CA THR A 232 25.869 6.048 -6.404 1.00 19.59 C ATOM 1741 C THR A 232 24.551 5.762 -7.130 1.00 19.35 C ATOM 1742 O THR A 232 23.928 6.702 -7.644 1.00 20.58 O ATOM 1743 CB THR A 232 26.809 6.802 -7.347 1.00 19.49 C ATOM 1744 OG1 THR A 232 27.194 5.977 -8.452 1.00 20.13 O ATOM 1745 CG2 THR A 232 28.033 7.295 -6.602 1.00 20.22 C ATOM 0 H THR A 232 26.818 4.328 -6.512 1.00 17.63 H new ATOM 0 HA THR A 232 25.693 6.605 -5.630 1.00 19.59 H new ATOM 0 HB THR A 232 26.331 7.571 -7.695 1.00 19.49 H new ATOM 0 HG1 THR A 232 27.764 5.415 -8.197 1.00 20.13 H new ATOM 0 HG21 THR A 232 28.616 7.770 -7.215 1.00 20.22 H new ATOM 0 HG22 THR A 232 27.759 7.893 -5.889 1.00 20.22 H new ATOM 0 HG23 THR A 232 28.509 6.539 -6.224 1.00 20.22 H new ATOM 1746 N THR A 233 24.105 4.518 -7.102 1.00 18.50 N ATOM 1747 CA THR A 233 22.788 4.152 -7.587 1.00 18.04 C ATOM 1748 C THR A 233 21.802 4.054 -6.428 1.00 19.46 C ATOM 1749 O THR A 233 21.946 3.195 -5.505 1.00 18.68 O ATOM 1750 CB THR A 233 22.843 2.805 -8.329 1.00 18.42 C ATOM 1751 OG1 THR A 233 23.614 3.053 -9.507 1.00 17.29 O ATOM 1752 CG2 THR A 233 21.475 2.278 -8.697 1.00 18.47 C ATOM 0 H THR A 233 24.562 3.856 -6.798 1.00 18.50 H new ATOM 0 HA THR A 233 22.490 4.841 -8.201 1.00 18.04 H new ATOM 0 HB THR A 233 23.234 2.124 -7.760 1.00 18.42 H new ATOM 0 HG1 THR A 233 24.429 2.937 -9.339 1.00 17.29 H new ATOM 0 HG21 THR A 233 21.568 1.431 -9.160 1.00 18.47 H new ATOM 0 HG22 THR A 233 20.950 2.149 -7.891 1.00 18.47 H new ATOM 0 HG23 THR A 233 21.028 2.915 -9.276 1.00 18.47 H new ATOM 1753 N HIS A 234 20.749 4.865 -6.505 1.00 17.56 N ATOM 1754 CA HIS A 234 19.818 4.921 -5.440 1.00 17.21 C ATOM 1755 C HIS A 234 18.443 5.165 -6.056 1.00 17.77 C ATOM 1756 O HIS A 234 18.005 6.281 -6.149 1.00 16.13 O ATOM 1757 CB HIS A 234 20.261 5.941 -4.389 1.00 17.12 C ATOM 1758 CG HIS A 234 19.470 5.942 -3.117 1.00 17.57 C ATOM 1759 ND1 HIS A 234 20.004 5.512 -1.913 1.00 18.29 N ATOM 1760 CD2 HIS A 234 18.180 6.244 -2.856 1.00 18.72 C ATOM 1761 CE1 HIS A 234 19.076 5.586 -0.972 1.00 17.39 C ATOM 1762 NE2 HIS A 234 17.959 6.020 -1.513 1.00 19.07 N ATOM 0 H HIS A 234 20.575 5.380 -7.171 1.00 17.56 H new ATOM 0 HA HIS A 234 19.769 4.089 -4.944 1.00 17.21 H new ATOM 0 HB2 HIS A 234 21.192 5.775 -4.172 1.00 17.12 H new ATOM 0 HB3 HIS A 234 20.214 6.827 -4.781 1.00 17.12 H new ATOM 0 HD2 HIS A 234 17.553 6.548 -3.472 1.00 18.72 H new ATOM 0 HE1 HIS A 234 19.195 5.367 -0.076 1.00 17.39 H new ATOM 0 HE2 HIS A 234 17.215 6.143 -1.099 1.00 19.07 H new ATOM 1763 N GLY A 235 17.837 4.091 -6.532 1.00 19.09 N ATOM 1764 CA GLY A 235 16.601 4.203 -7.299 1.00 19.68 C ATOM 1765 C GLY A 235 16.849 5.090 -8.501 1.00 21.80 C ATOM 1766 O GLY A 235 17.870 4.908 -9.152 1.00 20.35 O ATOM 0 H GLY A 235 18.122 3.287 -6.424 1.00 19.09 H new ATOM 0 HA2 GLY A 235 16.303 3.325 -7.585 1.00 19.68 H new ATOM 0 HA3 GLY A 235 15.896 4.576 -6.747 1.00 19.68 H new ATOM 1767 N ASP A 236 15.989 6.102 -8.718 1.00 20.17 N ATOM 1768 CA ASP A 236 16.068 6.938 -9.927 1.00 22.16 C ATOM 1769 C ASP A 236 16.812 8.248 -9.622 1.00 20.52 C ATOM 1770 O ASP A 236 16.863 9.111 -10.485 1.00 21.37 O ATOM 1771 CB ASP A 236 14.671 7.148 -10.528 1.00 23.21 C ATOM 1772 CG ASP A 236 14.061 5.893 -11.139 1.00 30.84 C ATOM 1773 OD1 ASP A 236 12.830 5.805 -11.193 1.00 38.85 O ATOM 1774 OD2 ASP A 236 14.808 4.989 -11.470 1.00 34.17 O ATOM 0 H ASP A 236 15.356 6.318 -8.178 1.00 20.17 H new ATOM 0 HA ASP A 236 16.587 6.482 -10.607 1.00 22.16 H new ATOM 0 HB2 ASP A 236 14.078 7.480 -9.836 1.00 23.21 H new ATOM 0 HB3 ASP A 236 14.723 7.836 -11.210 1.00 23.21 H new ATOM 1775 N PHE A 237 17.509 8.364 -8.484 1.00 19.35 N ATOM 1776 CA PHE A 237 18.304 9.567 -8.281 1.00 20.75 C ATOM 1777 C PHE A 237 19.327 9.720 -9.417 1.00 21.77 C ATOM 1778 O PHE A 237 19.909 8.724 -9.861 1.00 20.26 O ATOM 1779 CB PHE A 237 19.091 9.524 -6.968 1.00 21.58 C ATOM 1780 CG PHE A 237 18.384 10.051 -5.757 1.00 20.97 C ATOM 1781 CD1 PHE A 237 18.006 9.198 -4.728 1.00 21.28 C ATOM 1782 CD2 PHE A 237 18.199 11.412 -5.589 1.00 24.90 C ATOM 1783 CE1 PHE A 237 17.370 9.695 -3.599 1.00 22.36 C ATOM 1784 CE2 PHE A 237 17.539 11.899 -4.471 1.00 22.08 C ATOM 1785 CZ PHE A 237 17.136 11.042 -3.479 1.00 21.55 C ATOM 0 H PHE A 237 17.533 7.785 -7.849 1.00 19.35 H new ATOM 0 HA PHE A 237 17.680 10.310 -8.260 1.00 20.75 H new ATOM 0 HB2 PHE A 237 19.347 8.604 -6.796 1.00 21.58 H new ATOM 0 HB3 PHE A 237 19.911 10.029 -7.087 1.00 21.58 H new ATOM 0 HD1 PHE A 237 18.180 8.287 -4.796 1.00 21.28 H new ATOM 0 HD2 PHE A 237 18.520 12.004 -6.230 1.00 24.90 H new ATOM 0 HE1 PHE A 237 17.102 9.115 -2.923 1.00 22.36 H new ATOM 0 HE2 PHE A 237 17.369 12.810 -4.394 1.00 22.08 H new ATOM 0 HZ PHE A 237 16.704 11.374 -2.725 1.00 21.55 H new ATOM 1786 N LYS A 238 19.559 10.951 -9.867 1.00 20.30 N ATOM 1787 CA LYS A 238 20.618 11.251 -10.828 1.00 20.93 C ATOM 1788 C LYS A 238 21.857 11.725 -10.056 1.00 21.63 C ATOM 1789 O LYS A 238 22.043 12.912 -9.697 1.00 23.19 O ATOM 1790 CB LYS A 238 20.125 12.243 -11.880 1.00 21.58 C ATOM 1791 CG LYS A 238 19.254 11.618 -12.961 1.00 21.25 C ATOM 1792 CD LYS A 238 18.832 12.615 -14.024 1.00 21.41 C ATOM 1793 CE LYS A 238 18.178 11.972 -15.222 1.00 20.60 C ATOM 1794 NZ LYS A 238 16.935 11.280 -14.855 1.00 21.16 N ATOM 0 H LYS A 238 19.104 11.639 -9.622 1.00 20.30 H new ATOM 0 HA LYS A 238 20.871 10.458 -11.325 1.00 20.93 H new ATOM 0 HB2 LYS A 238 19.622 12.945 -11.438 1.00 21.58 H new ATOM 0 HB3 LYS A 238 20.892 12.664 -12.299 1.00 21.58 H new ATOM 0 HG2 LYS A 238 19.739 10.890 -13.380 1.00 21.25 H new ATOM 0 HG3 LYS A 238 18.463 11.234 -12.551 1.00 21.25 H new ATOM 0 HD2 LYS A 238 18.217 13.254 -13.632 1.00 21.41 H new ATOM 0 HD3 LYS A 238 19.610 13.114 -14.318 1.00 21.41 H new ATOM 0 HE2 LYS A 238 17.987 12.650 -15.889 1.00 20.60 H new ATOM 0 HE3 LYS A 238 18.793 11.341 -15.627 1.00 20.60 H new ATOM 0 HZ1 LYS A 238 16.486 11.064 -15.593 1.00 21.16 H new ATOM 0 HZ2 LYS A 238 17.130 10.541 -14.399 1.00 21.16 H new ATOM 0 HZ3 LYS A 238 16.435 11.816 -14.350 1.00 21.16 H new ATOM 1795 N ASN A 239 22.676 10.748 -9.730 1.00 20.23 N ATOM 1796 CA ASN A 239 23.861 10.974 -8.899 1.00 19.09 C ATOM 1797 C ASN A 239 25.114 10.979 -9.784 1.00 20.67 C ATOM 1798 O ASN A 239 25.698 12.035 -10.030 1.00 21.40 O ATOM 1799 CB ASN A 239 24.013 9.939 -7.777 1.00 18.71 C ATOM 1800 CG ASN A 239 22.963 9.969 -6.692 1.00 19.25 C ATOM 1801 OD1 ASN A 239 22.471 11.034 -6.313 1.00 19.41 O ATOM 1802 ND2 ASN A 239 22.578 8.791 -6.194 1.00 18.58 N ATOM 0 H ASN A 239 22.570 9.932 -9.979 1.00 20.23 H new ATOM 0 HA ASN A 239 23.749 11.836 -8.468 1.00 19.09 H new ATOM 0 HB2 ASN A 239 24.013 9.055 -8.176 1.00 18.71 H new ATOM 0 HB3 ASN A 239 24.882 10.064 -7.364 1.00 18.71 H new ATOM 0 HD21 ASN A 239 21.968 8.759 -5.589 1.00 18.58 H new ATOM 0 HD22 ASN A 239 22.940 8.065 -6.479 1.00 18.58 H new ATOM 1803 N ALA A 240 25.537 9.803 -10.237 1.00 19.70 N ATOM 1804 CA ALA A 240 26.802 9.648 -10.937 1.00 19.73 C ATOM 1805 C ALA A 240 26.652 10.093 -12.397 1.00 19.00 C ATOM 1806 O ALA A 240 25.655 9.804 -13.032 1.00 19.72 O ATOM 1807 CB ALA A 240 27.269 8.218 -10.852 1.00 20.34 C ATOM 0 H ALA A 240 25.095 9.071 -10.145 1.00 19.70 H new ATOM 0 HA ALA A 240 27.471 10.210 -10.516 1.00 19.73 H new ATOM 0 HB1 ALA A 240 28.113 8.124 -11.321 1.00 20.34 H new ATOM 0 HB2 ALA A 240 27.388 7.971 -9.922 1.00 20.34 H new ATOM 0 HB3 ALA A 240 26.607 7.637 -11.258 1.00 20.34 H new ATOM 1808 N PHE A 241 27.636 10.786 -12.944 1.00 19.96 N ATOM 1809 CA PHE A 241 27.542 11.238 -14.315 1.00 21.47 C ATOM 1810 C PHE A 241 28.938 11.341 -14.937 1.00 24.11 C ATOM 1811 O PHE A 241 29.942 11.579 -14.242 1.00 23.36 O ATOM 1812 CB PHE A 241 26.867 12.599 -14.420 1.00 24.05 C ATOM 1813 CG PHE A 241 27.653 13.694 -13.759 1.00 24.38 C ATOM 1814 CD1 PHE A 241 28.534 14.476 -14.493 1.00 26.31 C ATOM 1815 CD2 PHE A 241 27.502 13.953 -12.407 1.00 25.61 C ATOM 1816 CE1 PHE A 241 29.288 15.456 -13.877 1.00 28.61 C ATOM 1817 CE2 PHE A 241 28.244 14.945 -11.791 1.00 27.83 C ATOM 1818 CZ PHE A 241 29.158 15.677 -12.527 1.00 31.50 C ATOM 0 H PHE A 241 28.363 11.003 -12.539 1.00 19.96 H new ATOM 0 HA PHE A 241 27.005 10.585 -14.791 1.00 21.47 H new ATOM 0 HB2 PHE A 241 26.738 12.819 -15.356 1.00 24.05 H new ATOM 0 HB3 PHE A 241 25.986 12.550 -14.016 1.00 24.05 H new ATOM 0 HD1 PHE A 241 28.618 14.339 -15.409 1.00 26.31 H new ATOM 0 HD2 PHE A 241 26.896 13.455 -11.908 1.00 25.61 H new ATOM 0 HE1 PHE A 241 29.884 15.966 -14.376 1.00 28.61 H new ATOM 0 HE2 PHE A 241 28.129 15.119 -10.885 1.00 27.83 H new ATOM 0 HZ PHE A 241 29.685 16.319 -12.108 1.00 31.50 H new ATOM 1819 N PHE A 242 28.964 11.132 -16.244 1.00 24.60 N ATOM 1820 CA PHE A 242 30.106 11.548 -17.049 1.00 25.42 C ATOM 1821 C PHE A 242 29.648 12.636 -18.012 1.00 27.85 C ATOM 1822 O PHE A 242 28.444 12.859 -18.184 1.00 28.10 O ATOM 1823 CB PHE A 242 30.723 10.371 -17.796 1.00 23.54 C ATOM 1824 CG PHE A 242 29.812 9.714 -18.800 1.00 26.13 C ATOM 1825 CD1 PHE A 242 29.705 10.215 -20.089 1.00 25.65 C ATOM 1826 CD2 PHE A 242 29.067 8.594 -18.459 1.00 25.66 C ATOM 1827 CE1 PHE A 242 28.893 9.593 -21.025 1.00 27.26 C ATOM 1828 CE2 PHE A 242 28.218 8.009 -19.380 1.00 28.81 C ATOM 1829 CZ PHE A 242 28.141 8.501 -20.665 1.00 28.22 C ATOM 0 H PHE A 242 28.332 10.751 -16.686 1.00 24.60 H new ATOM 0 HA PHE A 242 30.799 11.898 -16.468 1.00 25.42 H new ATOM 0 HB2 PHE A 242 31.521 10.677 -18.254 1.00 23.54 H new ATOM 0 HB3 PHE A 242 31.005 9.705 -17.149 1.00 23.54 H new ATOM 0 HD1 PHE A 242 30.183 10.976 -20.328 1.00 25.65 H new ATOM 0 HD2 PHE A 242 29.139 8.234 -17.604 1.00 25.66 H new ATOM 0 HE1 PHE A 242 28.857 9.915 -21.897 1.00 27.26 H new ATOM 0 HE2 PHE A 242 27.697 7.280 -19.131 1.00 28.81 H new ATOM 0 HZ PHE A 242 27.581 8.095 -21.287 1.00 28.22 H new ATOM 1830 N CYS A 243 30.627 13.337 -18.587 1.00 31.16 N ATOM 1831 CA CYS A 243 30.357 14.405 -19.549 1.00 36.42 C ATOM 1832 C CYS A 243 30.940 14.052 -20.925 1.00 40.62 C ATOM 1833 O CYS A 243 31.959 13.367 -20.985 1.00 37.01 O ATOM 1834 CB CYS A 243 30.971 15.714 -19.074 1.00 39.45 C ATOM 1835 SG CYS A 243 30.221 16.296 -17.540 1.00 40.73 S ATOM 0 H CYS A 243 31.463 13.207 -18.431 1.00 31.16 H new ATOM 0 HA CYS A 243 29.395 14.504 -19.622 1.00 36.42 H new ATOM 0 HB2 CYS A 243 31.924 15.594 -18.941 1.00 39.45 H new ATOM 0 HB3 CYS A 243 30.863 16.389 -19.762 1.00 39.45 H new ATOM 0 HG CYS A 243 30.739 17.326 -17.207 1.00 40.73 H new ATOM 1836 N ASP A 244 30.309 14.525 -22.009 1.00 48.33 N ATOM 1837 CA ASP A 244 30.932 14.504 -23.385 1.00 51.86 C ATOM 1838 C ASP A 244 31.829 15.743 -23.560 1.00 60.09 C ATOM 1839 O ASP A 244 32.011 16.522 -22.610 1.00 56.61 O ATOM 1840 CB ASP A 244 29.883 14.392 -24.494 1.00 48.36 C ATOM 1841 CG ASP A 244 28.916 15.557 -24.569 1.00 47.64 C ATOM 1842 OD1 ASP A 244 27.784 15.344 -25.049 1.00 45.93 O ATOM 1843 OD2 ASP A 244 29.285 16.660 -24.113 1.00 47.87 O ATOM 0 H ASP A 244 29.520 14.866 -21.988 1.00 48.33 H new ATOM 0 HA ASP A 244 31.482 13.709 -23.463 1.00 51.86 H new ATOM 0 HB2 ASP A 244 30.338 14.310 -25.346 1.00 48.36 H new ATOM 0 HB3 ASP A 244 29.377 13.575 -24.363 1.00 48.36 H new ATOM 1844 N GLU A 245 32.388 15.941 -24.763 1.00 67.93 N ATOM 1845 CA GLU A 245 33.367 17.027 -25.003 1.00 67.69 C ATOM 1846 C GLU A 245 32.686 18.403 -24.916 1.00 65.47 C ATOM 1847 O GLU A 245 33.346 19.391 -24.598 1.00 60.67 O ATOM 1848 CB GLU A 245 34.059 16.829 -26.332 1.00 66.83 C ATOM 0 H GLU A 245 32.217 15.460 -25.455 1.00 67.93 H new ATOM 0 HA GLU A 245 34.045 16.995 -24.310 1.00 67.69 H new ATOM 1849 N LYS A 246 31.381 18.474 -25.183 1.00 65.11 N ATOM 1850 CA LYS A 246 30.625 19.723 -24.994 1.00 62.98 C ATOM 1851 C LYS A 246 30.222 19.888 -23.519 1.00 62.66 C ATOM 1852 O LYS A 246 29.751 20.947 -23.124 1.00 56.46 O ATOM 1853 CB LYS A 246 29.421 19.736 -25.908 1.00 65.42 C ATOM 0 H LYS A 246 30.912 17.814 -25.474 1.00 65.11 H new ATOM 0 HA LYS A 246 31.187 20.478 -25.227 1.00 62.98 H new ATOM 1854 N GLY A 247 30.386 18.829 -22.717 1.00 62.50 N ATOM 1855 CA GLY A 247 30.098 18.803 -21.256 1.00 58.38 C ATOM 1856 C GLY A 247 28.592 18.613 -20.970 1.00 52.78 C ATOM 1857 O GLY A 247 28.099 18.977 -19.886 1.00 50.98 O ATOM 0 H GLY A 247 30.678 18.075 -23.011 1.00 62.50 H new ATOM 0 HA2 GLY A 247 30.599 18.084 -20.841 1.00 58.38 H new ATOM 0 HA3 GLY A 247 30.402 19.631 -20.852 1.00 58.38 H new ATOM 1858 N ARG A 248 27.858 18.010 -21.905 1.00 43.89 N ATOM 1859 CA ARG A 248 26.549 17.463 -21.570 1.00 41.72 C ATOM 1860 C ARG A 248 26.747 16.318 -20.563 1.00 38.05 C ATOM 1861 O ARG A 248 27.625 15.466 -20.754 1.00 39.17 O ATOM 1862 CB ARG A 248 25.854 16.997 -22.823 1.00 40.57 C ATOM 0 H ARG A 248 28.096 17.909 -22.725 1.00 43.89 H new ATOM 0 HA ARG A 248 25.985 18.140 -21.165 1.00 41.72 H new ATOM 1863 N ARG A 249 25.954 16.290 -19.511 1.00 35.18 N ATOM 1864 CA ARG A 249 26.109 15.229 -18.483 1.00 33.64 C ATOM 1865 C ARG A 249 25.220 14.027 -18.781 1.00 30.47 C ATOM 1866 O ARG A 249 24.072 14.191 -19.122 1.00 29.75 O ATOM 1867 CB ARG A 249 25.730 15.725 -17.091 1.00 34.07 C ATOM 1868 CG ARG A 249 26.353 17.057 -16.738 1.00 40.66 C ATOM 1869 CD ARG A 249 26.913 17.030 -15.356 1.00 43.36 C ATOM 1870 NE ARG A 249 26.182 17.951 -14.538 1.00 47.31 N ATOM 1871 CZ ARG A 249 26.592 18.380 -13.361 1.00 50.79 C ATOM 1872 NH1 ARG A 249 27.763 18.975 -13.234 1.00 53.41 N ATOM 1873 NH2 ARG A 249 25.811 18.235 -12.314 1.00 52.36 N ATOM 0 H ARG A 249 25.325 16.856 -19.358 1.00 35.18 H new ATOM 0 HA ARG A 249 27.046 14.978 -18.508 1.00 33.64 H new ATOM 0 HB2 ARG A 249 24.765 15.802 -17.034 1.00 34.07 H new ATOM 0 HB3 ARG A 249 26.001 15.064 -16.435 1.00 34.07 H new ATOM 0 HG2 ARG A 249 27.056 17.268 -17.372 1.00 40.66 H new ATOM 0 HG3 ARG A 249 25.687 17.759 -16.808 1.00 40.66 H new ATOM 0 HD2 ARG A 249 26.853 16.135 -14.988 1.00 43.36 H new ATOM 0 HD3 ARG A 249 27.853 17.268 -15.371 1.00 43.36 H new ATOM 0 HE ARG A 249 25.429 18.242 -14.833 1.00 47.31 H new ATOM 0 HH11 ARG A 249 28.266 19.086 -13.923 1.00 53.41 H new ATOM 0 HH12 ARG A 249 28.023 19.252 -12.463 1.00 53.41 H new ATOM 0 HH21 ARG A 249 25.040 17.863 -12.401 1.00 52.36 H new ATOM 0 HH22 ARG A 249 26.071 18.512 -11.542 1.00 52.36 H new ATOM 1874 N PHE A 250 25.788 12.873 -18.592 1.00 28.69 N ATOM 1875 CA PHE A 250 25.105 11.620 -18.761 1.00 27.31 C ATOM 1876 C PHE A 250 25.080 10.932 -17.398 1.00 23.38 C ATOM 1877 O PHE A 250 26.144 10.525 -16.915 1.00 22.89 O ATOM 1878 CB PHE A 250 25.839 10.785 -19.815 1.00 28.28 C ATOM 1879 CG PHE A 250 25.834 11.422 -21.189 1.00 30.26 C ATOM 1880 CD1 PHE A 250 24.916 11.021 -22.145 1.00 33.65 C ATOM 1881 CD2 PHE A 250 26.671 12.484 -21.490 1.00 33.93 C ATOM 1882 CE1 PHE A 250 24.895 11.605 -23.407 1.00 36.37 C ATOM 1883 CE2 PHE A 250 26.644 13.081 -22.748 1.00 34.85 C ATOM 1884 CZ PHE A 250 25.756 12.640 -23.701 1.00 37.43 C ATOM 0 H PHE A 250 26.610 12.788 -18.353 1.00 28.69 H new ATOM 0 HA PHE A 250 24.195 11.740 -19.074 1.00 27.31 H new ATOM 0 HB2 PHE A 250 26.757 10.650 -19.531 1.00 28.28 H new ATOM 0 HB3 PHE A 250 25.427 9.909 -19.870 1.00 28.28 H new ATOM 0 HD1 PHE A 250 24.304 10.351 -21.940 1.00 33.65 H new ATOM 0 HD2 PHE A 250 27.259 12.803 -20.843 1.00 33.93 H new ATOM 0 HE1 PHE A 250 24.300 11.297 -24.052 1.00 36.37 H new ATOM 0 HE2 PHE A 250 27.227 13.779 -22.944 1.00 34.85 H new ATOM 0 HZ PHE A 250 25.737 13.039 -24.541 1.00 37.43 H new ATOM 1885 N PHE A 251 23.888 10.792 -16.829 1.00 21.78 N ATOM 1886 CA PHE A 251 23.731 10.129 -15.520 1.00 22.72 C ATOM 1887 C PHE A 251 23.669 8.614 -15.677 1.00 21.01 C ATOM 1888 O PHE A 251 23.033 8.111 -16.560 1.00 22.52 O ATOM 1889 CB PHE A 251 22.491 10.644 -14.785 1.00 23.52 C ATOM 1890 CG PHE A 251 22.694 12.073 -14.404 1.00 26.00 C ATOM 1891 CD1 PHE A 251 22.347 13.075 -15.290 1.00 28.40 C ATOM 1892 CD2 PHE A 251 23.369 12.402 -13.241 1.00 26.47 C ATOM 1893 CE1 PHE A 251 22.574 14.405 -14.975 1.00 28.76 C ATOM 1894 CE2 PHE A 251 23.622 13.729 -12.937 1.00 29.09 C ATOM 1895 CZ PHE A 251 23.226 14.729 -13.805 1.00 29.87 C ATOM 0 H PHE A 251 23.153 11.071 -17.177 1.00 21.78 H new ATOM 0 HA PHE A 251 24.511 10.347 -14.986 1.00 22.72 H new ATOM 0 HB2 PHE A 251 21.709 10.559 -15.352 1.00 23.52 H new ATOM 0 HB3 PHE A 251 22.327 10.108 -13.993 1.00 23.52 H new ATOM 0 HD1 PHE A 251 21.958 12.855 -16.105 1.00 28.40 H new ATOM 0 HD2 PHE A 251 23.653 11.731 -12.663 1.00 26.47 H new ATOM 0 HE1 PHE A 251 22.287 15.077 -15.551 1.00 28.76 H new ATOM 0 HE2 PHE A 251 24.060 13.948 -12.146 1.00 29.09 H new ATOM 0 HZ PHE A 251 23.399 15.619 -13.600 1.00 29.87 H new ATOM 1896 N VAL A 252 24.318 7.933 -14.747 1.00 18.86 N ATOM 1897 CA VAL A 252 24.513 6.521 -14.802 1.00 18.69 C ATOM 1898 C VAL A 252 23.995 5.832 -13.539 1.00 18.53 C ATOM 1899 O VAL A 252 24.277 6.263 -12.423 1.00 20.59 O ATOM 1900 CB VAL A 252 25.999 6.188 -14.952 1.00 18.99 C ATOM 1901 CG1 VAL A 252 26.203 4.689 -14.866 1.00 19.79 C ATOM 1902 CG2 VAL A 252 26.577 6.737 -16.228 1.00 19.29 C ATOM 0 H VAL A 252 24.663 8.301 -14.051 1.00 18.86 H new ATOM 0 HA VAL A 252 24.016 6.199 -15.570 1.00 18.69 H new ATOM 0 HB VAL A 252 26.475 6.616 -14.223 1.00 18.99 H new ATOM 0 HG11 VAL A 252 27.146 4.485 -14.962 1.00 19.79 H new ATOM 0 HG12 VAL A 252 25.889 4.368 -14.006 1.00 19.79 H new ATOM 0 HG13 VAL A 252 25.705 4.253 -15.575 1.00 19.79 H new ATOM 0 HG21 VAL A 252 27.517 6.505 -16.284 1.00 19.29 H new ATOM 0 HG22 VAL A 252 26.105 6.359 -16.986 1.00 19.29 H new ATOM 0 HG23 VAL A 252 26.482 7.702 -16.238 1.00 19.29 H new ATOM 1903 N ARG A 253 23.286 4.739 -13.731 1.00 17.76 N ATOM 1904 CA AARG A 253 22.973 3.882 -12.602 0.08 17.61 C ATOM 1905 CA BARG A 253 22.833 3.878 -12.648 0.08 18.04 C ATOM 1906 CA CARG A 253 22.975 3.878 -12.600 0.33 17.29 C ATOM 1907 CA DARG A 253 22.802 3.876 -12.663 0.50 19.76 C ATOM 1908 C ARG A 253 23.101 2.420 -13.040 1.00 18.01 C ATOM 1909 O ARG A 253 23.126 2.096 -14.246 1.00 18.70 O ATOM 1910 CB AARG A 253 21.612 4.246 -12.001 0.08 16.73 C ATOM 1911 CB BARG A 253 21.344 4.117 -12.378 0.08 17.80 C ATOM 1912 CB CARG A 253 21.624 4.222 -11.964 0.33 15.37 C ATOM 1913 CB DARG A 253 21.305 4.120 -12.452 0.50 21.19 C ATOM 1914 CG AARG A 253 20.406 3.661 -12.720 0.08 16.16 C ATOM 1915 CG BARG A 253 21.033 5.481 -11.777 0.08 17.74 C ATOM 1916 CG CARG A 253 20.385 3.816 -12.752 0.33 14.49 C ATOM 1917 CG DARG A 253 20.997 5.410 -11.707 0.50 23.63 C ATOM 1918 CD AARG A 253 19.127 4.140 -12.068 0.08 15.55 C ATOM 1919 CD BARG A 253 19.558 5.840 -11.845 0.08 17.42 C ATOM 1920 CD CARG A 253 19.152 3.862 -11.865 0.33 13.48 C ATOM 1921 CD DARG A 253 19.698 6.107 -12.094 0.50 24.33 C ATOM 1922 NE AARG A 253 18.297 4.914 -12.977 0.08 14.95 N ATOM 1923 NE BARG A 253 19.254 6.675 -12.999 0.08 17.11 N ATOM 1924 NE CARG A 253 17.954 3.377 -12.541 0.33 12.42 N ATOM 1925 NE DARG A 253 19.897 7.337 -12.866 0.50 23.65 N ATOM 1926 CZ AARG A 253 17.261 4.414 -13.631 0.08 14.72 C ATOM 1927 CZ BARG A 253 20.093 7.559 -13.535 0.08 16.96 C ATOM 1928 CZ CARG A 253 17.281 4.092 -13.418 0.33 12.76 C ATOM 1929 CZ DARG A 253 19.897 7.399 -14.206 0.50 26.17 C ATOM 1930 NH1AARG A 253 16.557 5.177 -14.447 0.08 14.17 N ATOM 1931 NH1BARG A 253 21.155 7.961 -12.860 0.08 16.50 N ATOM 1932 NH1CARG A 253 17.645 5.335 -13.641 0.33 12.21 N ATOM 1933 NH1DARG A 253 19.401 8.456 -14.818 0.50 23.94 N ATOM 1934 NH2AARG A 253 16.936 3.143 -13.467 0.08 14.66 N ATOM 1935 NH2BARG A 253 19.867 8.034 -14.748 0.08 16.61 N ATOM 1936 NH2CARG A 253 16.280 3.558 -14.097 0.33 13.30 N ATOM 1937 NH2DARG A 253 20.261 6.366 -14.944 0.50 25.52 N ATOM 0 H AARG A 253 22.980 4.476 -14.490 0.08 17.76 H new ATOM 0 H BARG A 253 23.046 4.466 -14.511 0.08 17.76 H new ATOM 0 H CARG A 253 22.978 4.477 -14.490 0.33 17.76 H new ATOM 0 H DARG A 253 23.062 4.464 -14.515 0.50 17.76 H new ATOM 0 HA AARG A 253 23.607 4.018 -11.880 0.08 19.76 H new ATOM 0 HA BARG A 253 23.315 4.080 -11.831 0.08 19.76 H new ATOM 0 HA CARG A 253 23.616 4.029 -11.888 0.33 19.76 H new ATOM 0 HA DARG A 253 23.250 4.072 -11.825 0.50 19.76 H new ATOM 0 HB2AARG A 253 21.594 3.951 -11.077 0.08 21.19 H new ATOM 0 HB2BARG A 253 20.855 4.022 -13.210 0.08 21.19 H new ATOM 0 HB2CARG A 253 21.582 3.800 -11.092 0.33 21.19 H new ATOM 0 HB2DARG A 253 20.864 4.141 -13.315 0.50 21.19 H new ATOM 0 HB3AARG A 253 21.527 5.212 -11.992 0.08 21.19 H new ATOM 0 HB3BARG A 253 21.019 3.428 -11.778 0.08 21.19 H new ATOM 0 HB3CARG A 253 21.591 5.180 -11.818 0.33 21.19 H new ATOM 0 HB3DARG A 253 20.930 3.373 -11.959 0.50 21.19 H new ATOM 0 HG2AARG A 253 20.419 3.923 -13.654 0.08 23.63 H new ATOM 0 HG2BARG A 253 21.321 5.494 -10.851 0.08 23.63 H new ATOM 0 HG2CARG A 253 20.268 4.410 -13.510 0.33 23.63 H new ATOM 0 HG2DARG A 253 20.969 5.216 -10.757 0.50 23.63 H new ATOM 0 HG3AARG A 253 20.446 2.692 -12.697 0.08 23.63 H new ATOM 0 HG3BARG A 253 21.547 6.159 -12.243 0.08 23.63 H new ATOM 0 HG3CARG A 253 20.500 2.921 -13.109 0.33 23.63 H new ATOM 0 HG3DARG A 253 21.731 6.028 -11.849 0.50 23.63 H new ATOM 0 HD2AARG A 253 18.624 3.375 -11.747 0.08 24.33 H new ATOM 0 HD2BARG A 253 19.030 5.028 -11.886 0.08 24.33 H new ATOM 0 HD2CARG A 253 19.309 3.328 -11.071 0.33 24.33 H new ATOM 0 HD2DARG A 253 19.153 5.494 -12.612 0.50 24.33 H new ATOM 0 HD3AARG A 253 19.345 4.681 -11.293 0.08 24.33 H new ATOM 0 HD3BARG A 253 19.301 6.305 -11.033 0.08 24.33 H new ATOM 0 HD3CARG A 253 19.005 4.774 -11.569 0.33 24.33 H new ATOM 0 HD3DARG A 253 19.200 6.317 -11.288 0.50 24.33 H new ATOM 0 HE AARG A 253 18.490 5.743 -13.096 0.08 23.65 H new ATOM 0 HE BARG A 253 18.478 6.591 -13.360 0.08 23.65 H new ATOM 0 HE CARG A 253 17.673 2.585 -12.358 0.33 23.65 H new ATOM 0 HE DARG A 253 20.022 8.068 -12.431 0.50 23.65 H new ATOM 0 HH11AARG A 253 16.771 6.003 -14.555 0.08 23.94 H new ATOM 0 HH11BARG A 253 21.306 7.652 -12.072 0.08 23.94 H new ATOM 0 HH11CARG A 253 18.314 5.670 -13.217 0.33 23.94 H new ATOM 0 HH11DARG A 253 19.077 9.107 -14.358 0.50 23.94 H new ATOM 0 HH12AARG A 253 15.884 4.848 -14.870 0.08 23.94 H new ATOM 0 HH12BARG A 253 21.695 8.532 -13.209 0.08 23.94 H new ATOM 0 HH12CARG A 253 17.214 5.813 -14.211 0.33 23.94 H new ATOM 0 HH12DARG A 253 19.401 8.495 -15.677 0.50 23.94 H new ATOM 0 HH21AARG A 253 17.397 2.646 -12.938 0.08 25.52 H new ATOM 0 HH21BARG A 253 19.178 7.772 -15.191 0.08 25.52 H new ATOM 0 HH21CARG A 253 16.063 2.736 -13.968 0.33 25.52 H new ATOM 0 HH21DARG A 253 20.505 5.633 -14.567 0.50 25.52 H new ATOM 0 HH22AARG A 253 16.264 2.813 -13.890 0.08 25.52 H new ATOM 0 HH22BARG A 253 20.409 8.605 -15.094 0.08 25.52 H new ATOM 0 HH22CARG A 253 15.846 4.033 -14.668 0.33 25.52 H new ATOM 0 HH22DARG A 253 20.254 6.427 -15.802 0.50 25.52 H new ATOM 1938 N ILE A 254 23.271 1.569 -12.041 1.00 17.97 N ATOM 1939 CA ILE A 254 23.482 0.114 -12.265 1.00 18.68 C ATOM 1940 C ILE A 254 22.292 -0.674 -11.691 1.00 19.74 C ATOM 1941 O ILE A 254 21.660 -0.279 -10.671 1.00 18.20 O ATOM 1942 CB ILE A 254 24.838 -0.307 -11.670 1.00 20.20 C ATOM 1943 CG1 ILE A 254 25.272 -1.703 -12.106 1.00 22.20 C ATOM 1944 CG2 ILE A 254 24.886 -0.219 -10.163 1.00 20.51 C ATOM 1945 CD1 ILE A 254 26.691 -2.006 -11.655 1.00 23.29 C ATOM 0 H ILE A 254 23.270 1.801 -11.213 1.00 17.97 H new ATOM 0 HA ILE A 254 23.518 -0.087 -13.213 1.00 18.68 H new ATOM 0 HB ILE A 254 25.464 0.340 -12.031 1.00 20.20 H new ATOM 0 HG12 ILE A 254 24.665 -2.363 -11.736 1.00 22.20 H new ATOM 0 HG13 ILE A 254 25.215 -1.775 -13.072 1.00 22.20 H new ATOM 0 HG21 ILE A 254 25.761 -0.496 -9.850 1.00 20.51 H new ATOM 0 HG22 ILE A 254 24.719 0.696 -9.887 1.00 20.51 H new ATOM 0 HG23 ILE A 254 24.209 -0.800 -9.783 1.00 20.51 H new ATOM 0 HD11 ILE A 254 26.940 -2.898 -11.945 1.00 23.29 H new ATOM 0 HD12 ILE A 254 27.300 -1.358 -12.044 1.00 23.29 H new ATOM 0 HD13 ILE A 254 26.741 -1.956 -10.688 1.00 23.29 H new ATOM 1946 N VAL A 255 21.999 -1.807 -12.320 1.00 17.33 N ATOM 1947 CA VAL A 255 21.012 -2.716 -11.837 1.00 19.99 C ATOM 1948 C VAL A 255 21.656 -4.095 -11.764 1.00 18.68 C ATOM 1949 O VAL A 255 22.326 -4.516 -12.731 1.00 19.04 O ATOM 1950 CB VAL A 255 19.761 -2.748 -12.749 1.00 22.63 C ATOM 1951 CG1 VAL A 255 18.706 -3.653 -12.130 1.00 27.85 C ATOM 1952 CG2 VAL A 255 19.187 -1.368 -13.016 1.00 24.30 C ATOM 0 H VAL A 255 22.381 -2.059 -13.048 1.00 17.33 H new ATOM 0 HA VAL A 255 20.707 -2.429 -10.962 1.00 19.99 H new ATOM 0 HB VAL A 255 20.038 -3.099 -13.610 1.00 22.63 H new ATOM 0 HG11 VAL A 255 17.922 -3.674 -12.701 1.00 27.85 H new ATOM 0 HG12 VAL A 255 19.063 -4.550 -12.039 1.00 27.85 H new ATOM 0 HG13 VAL A 255 18.460 -3.313 -11.256 1.00 27.85 H new ATOM 0 HG21 VAL A 255 18.409 -1.446 -13.590 1.00 24.30 H new ATOM 0 HG22 VAL A 255 18.929 -0.957 -12.176 1.00 24.30 H new ATOM 0 HG23 VAL A 255 19.856 -0.818 -13.453 1.00 24.30 H new ATOM 1953 N ILE A 256 21.538 -4.757 -10.620 1.00 18.57 N ATOM 1954 CA ILE A 256 22.193 -6.034 -10.418 1.00 21.17 C ATOM 1955 C ILE A 256 21.140 -7.016 -9.905 1.00 25.22 C ATOM 1956 O ILE A 256 20.442 -6.710 -8.950 1.00 25.81 O ATOM 1957 CB ILE A 256 23.364 -5.947 -9.430 1.00 22.61 C ATOM 1958 CG1 ILE A 256 24.394 -4.906 -9.861 1.00 22.37 C ATOM 1959 CG2 ILE A 256 24.008 -7.313 -9.272 1.00 22.17 C ATOM 1960 CD1 ILE A 256 25.519 -4.769 -8.904 1.00 24.44 C ATOM 0 H ILE A 256 21.080 -4.480 -9.947 1.00 18.57 H new ATOM 0 HA ILE A 256 22.572 -6.330 -11.260 1.00 21.17 H new ATOM 0 HB ILE A 256 23.014 -5.661 -8.572 1.00 22.61 H new ATOM 0 HG12 ILE A 256 24.745 -5.148 -10.732 1.00 22.37 H new ATOM 0 HG13 ILE A 256 23.955 -4.047 -9.961 1.00 22.37 H new ATOM 0 HG21 ILE A 256 24.747 -7.252 -8.647 1.00 22.17 H new ATOM 0 HG22 ILE A 256 23.352 -7.943 -8.936 1.00 22.17 H new ATOM 0 HG23 ILE A 256 24.337 -7.617 -10.132 1.00 22.17 H new ATOM 0 HD11 ILE A 256 26.139 -4.097 -9.228 1.00 24.44 H new ATOM 0 HD12 ILE A 256 25.176 -4.501 -8.037 1.00 24.44 H new ATOM 0 HD13 ILE A 256 25.978 -5.619 -8.821 1.00 24.44 H new ATOM 1961 N ASP A 257 21.015 -8.155 -10.556 1.00 25.65 N ATOM 1962 CA ASP A 257 20.000 -9.127 -10.183 1.00 28.45 C ATOM 1963 C ASP A 257 20.621 -10.510 -10.153 1.00 28.36 C ATOM 1964 O ASP A 257 21.407 -10.884 -10.999 1.00 26.37 O ATOM 1965 CB ASP A 257 18.832 -9.129 -11.164 1.00 29.70 C ATOM 1966 CG ASP A 257 18.075 -7.823 -11.130 1.00 32.65 C ATOM 1967 OD1 ASP A 257 17.560 -7.488 -10.048 1.00 35.58 O ATOM 1968 OD2 ASP A 257 18.083 -7.121 -12.142 1.00 33.70 O ATOM 0 H ASP A 257 21.509 -8.389 -11.220 1.00 25.65 H new ATOM 0 HA ASP A 257 19.660 -8.883 -9.308 1.00 28.45 H new ATOM 0 HB2 ASP A 257 19.163 -9.289 -12.062 1.00 29.70 H new ATOM 0 HB3 ASP A 257 18.230 -9.859 -10.950 1.00 29.70 H new ATOM 1969 N GLU A 258 20.247 -11.229 -9.126 1.00 30.95 N ATOM 1970 CA GLU A 258 20.571 -12.619 -9.029 1.00 33.65 C ATOM 1971 C GLU A 258 19.444 -13.362 -9.758 1.00 28.43 C ATOM 1972 O GLU A 258 18.328 -12.855 -9.931 1.00 33.34 O ATOM 1973 CB GLU A 258 20.722 -13.019 -7.557 1.00 41.02 C ATOM 1974 CG GLU A 258 22.000 -13.788 -7.253 1.00 43.77 C ATOM 1975 CD GLU A 258 22.224 -14.037 -5.766 1.00 47.68 C ATOM 1976 OE1 GLU A 258 22.088 -13.072 -4.974 1.00 45.52 O ATOM 1977 OE2 GLU A 258 22.527 -15.196 -5.403 1.00 42.27 O ATOM 0 H GLU A 258 19.795 -10.921 -8.462 1.00 30.95 H new ATOM 0 HA GLU A 258 21.421 -12.842 -9.440 1.00 33.65 H new ATOM 0 HB2 GLU A 258 20.699 -12.218 -7.010 1.00 41.02 H new ATOM 0 HB3 GLU A 258 19.960 -13.561 -7.299 1.00 41.02 H new ATOM 0 HG2 GLU A 258 21.973 -14.640 -7.715 1.00 43.77 H new ATOM 0 HG3 GLU A 258 22.757 -13.296 -7.608 1.00 43.77 H new ATOM 1978 N ALA A 259 19.764 -14.504 -10.277 1.00 31.23 N ATOM 1979 CA ALA A 259 18.749 -15.311 -10.952 1.00 34.20 C ATOM 1980 C ALA A 259 18.637 -16.653 -10.231 1.00 34.97 C ATOM 1981 O ALA A 259 19.391 -16.895 -9.281 1.00 35.17 O ATOM 1982 CB ALA A 259 19.164 -15.512 -12.380 1.00 34.92 C ATOM 0 H ALA A 259 20.553 -14.847 -10.261 1.00 31.23 H new ATOM 0 HA ALA A 259 17.886 -14.868 -10.935 1.00 34.20 H new ATOM 0 HB1 ALA A 259 18.497 -16.047 -12.839 1.00 34.92 H new ATOM 0 HB2 ALA A 259 19.244 -14.650 -12.818 1.00 34.92 H new ATOM 0 HB3 ALA A 259 20.019 -15.969 -12.407 1.00 34.92 H new ATOM 1983 N PHE A 260 17.772 -17.540 -10.713 1.00 32.24 N ATOM 1984 CA PHE A 260 17.756 -18.899 -10.119 1.00 30.26 C ATOM 1985 C PHE A 260 19.165 -19.491 -10.126 1.00 32.22 C ATOM 1986 O PHE A 260 19.847 -19.540 -11.163 1.00 30.61 O ATOM 1987 CB PHE A 260 16.787 -19.822 -10.845 1.00 30.72 C ATOM 1988 CG PHE A 260 16.883 -21.246 -10.365 1.00 28.09 C ATOM 1989 CD1 PHE A 260 17.526 -22.205 -11.129 1.00 27.91 C ATOM 1990 CD2 PHE A 260 16.379 -21.606 -9.134 1.00 29.42 C ATOM 1991 CE1 PHE A 260 17.637 -23.512 -10.681 1.00 28.68 C ATOM 1992 CE2 PHE A 260 16.499 -22.913 -8.678 1.00 28.23 C ATOM 1993 CZ PHE A 260 17.130 -23.855 -9.455 1.00 26.49 C ATOM 1994 OXT PHE A 260 19.613 -19.968 -9.062 1.00 33.62 O ATOM 0 H PHE A 260 17.210 -17.399 -11.348 1.00 32.24 H new ATOM 0 HA PHE A 260 17.448 -18.819 -9.203 1.00 30.26 H new ATOM 0 HB2 PHE A 260 15.881 -19.501 -10.717 1.00 30.72 H new ATOM 0 HB3 PHE A 260 16.967 -19.791 -11.798 1.00 30.72 H new ATOM 0 HD1 PHE A 260 17.888 -21.969 -11.953 1.00 27.91 H new ATOM 0 HD2 PHE A 260 15.955 -20.969 -8.605 1.00 29.42 H new ATOM 0 HE1 PHE A 260 18.054 -24.153 -11.210 1.00 28.68 H new ATOM 0 HE2 PHE A 260 16.153 -23.150 -7.848 1.00 28.23 H new ATOM 0 HZ PHE A 260 17.213 -24.729 -9.147 1.00 26.49 H new TER 1995 PHE A 260 HETATM 1996 O4P 0FX A 301 19.161 9.244 5.413 1.00 20.33 O HETATM 1997 P2 0FX A 301 19.348 10.772 5.548 1.00 21.69 P HETATM 1998 O3P 0FX A 301 18.231 11.511 6.324 1.00 21.09 O HETATM 1999 O1G 0FX A 301 20.767 10.928 6.247 1.00 22.37 O HETATM 2000 C1G 0FX A 301 21.683 11.993 6.003 1.00 24.05 C HETATM 2001 C2G 0FX A 301 23.059 11.491 6.344 1.00 24.96 C HETATM 2002 O2G 0FX A 301 23.401 10.375 5.538 1.00 24.11 O HETATM 2003 C3G 0FX A 301 23.087 11.083 7.822 1.00 28.77 C HETATM 2004 O3G 0FX A 301 24.406 10.602 8.114 1.00 31.78 O HETATM 2005 C4G 0FX A 301 22.741 12.329 8.605 1.00 31.51 C HETATM 2006 N4A 0FX A 301 22.792 11.969 10.018 1.00 38.24 N HETATM 2007 C5G 0FX A 301 21.368 12.828 8.211 1.00 28.01 C HETATM 2008 C6G 0FX A 301 20.970 14.136 8.909 1.00 32.04 C HETATM 2009 O5G 0FX A 301 21.363 13.131 6.825 1.00 27.90 O HETATM 2010 OPP 0FX A 301 19.625 11.522 4.151 1.00 18.90 O HETATM 2011 P 0FX A 301 18.675 11.834 2.890 1.00 19.97 P HETATM 2012 O1P 0FX A 301 19.162 13.185 2.367 1.00 18.37 O HETATM 2013 O2P 0FX A 301 17.255 11.672 3.234 1.00 20.61 O HETATM 2014 O5 0FX A 301 19.163 10.718 1.823 1.00 19.09 O HETATM 2015 C5 0FX A 301 18.744 9.382 1.974 1.00 18.44 C HETATM 2016 C4 0FX A 301 19.506 8.520 1.013 1.00 18.89 C HETATM 2017 O4 0FX A 301 19.178 8.971 -0.309 1.00 19.71 O HETATM 2018 C3 0FX A 301 21.018 8.637 1.154 1.00 18.66 C HETATM 2019 O3 0FX A 301 21.672 7.702 2.052 1.00 18.24 O HETATM 2020 C2 0FX A 301 21.499 8.453 -0.295 1.00 18.86 C HETATM 2021 C1 0FX A 301 20.295 8.847 -1.143 1.00 19.41 C HETATM 2022 N11 0FX A 301 20.454 10.135 -1.824 1.00 20.46 N HETATM 2023 C61 0FX A 301 19.966 11.303 -1.295 1.00 19.53 C HETATM 2024 C51 0FX A 301 20.153 12.494 -2.011 1.00 19.41 C HETATM 2025 C5A 0FX A 301 19.654 13.819 -1.503 1.00 20.30 C HETATM 2026 C21 0FX A 301 21.067 10.133 -3.004 1.00 19.85 C HETATM 2027 O21 0FX A 301 21.523 9.001 -3.506 1.00 20.82 O HETATM 2028 N31 0FX A 301 21.255 11.238 -3.729 1.00 18.48 N HETATM 2029 C41 0FX A 301 20.834 12.425 -3.224 1.00 20.53 C HETATM 2030 O41 0FX A 301 21.002 13.515 -3.985 1.00 19.89 O HETATM 0 H9 0FX A 301 22.621 12.560 10.619 1.00 38.24 H new HETATM 0 H8 0FX A 301 22.993 11.166 10.250 1.00 38.24 H new HETATM 0 H7 0FX A 301 23.365 13.048 8.421 1.00 31.51 H new HETATM 0 H6 0FX A 301 24.966 11.018 7.646 1.00 31.78 H new HETATM 0 H5 0FX A 301 22.459 10.379 8.048 1.00 28.77 H new HETATM 0 H4 0FX A 301 23.798 9.802 6.007 1.00 24.11 H new HETATM 0 H3 0FX A 301 23.703 12.197 6.178 1.00 24.96 H new HETATM 0 H28 0FX A 301 21.635 11.198 -4.500 1.00 18.48 H new HETATM 0 H27 0FX A 301 18.691 13.782 -1.394 1.00 20.30 H new HETATM 0 H26 0FX A 301 20.068 14.015 -0.648 1.00 20.30 H new HETATM 0 H25 0FX A 301 19.881 14.516 -2.139 1.00 20.30 H new HETATM 0 H24 0FX A 301 19.501 11.305 -0.444 1.00 19.53 H new HETATM 0 H23 0FX A 301 20.197 8.154 -1.815 1.00 19.41 H new HETATM 0 H22 0FX A 301 22.267 9.014 -0.487 1.00 18.86 H new HETATM 0 H21 0FX A 301 21.768 7.537 -0.465 1.00 18.86 H new HETATM 0 H20 0FX A 301 21.103 7.168 2.363 1.00 18.24 H new HETATM 0 H2 0FX A 301 21.635 12.271 5.075 1.00 24.05 H new HETATM 0 H19 0FX A 301 21.249 9.481 1.572 1.00 18.66 H new HETATM 0 H18 0FX A 301 19.262 7.598 1.192 1.00 18.89 H new HETATM 0 H17 0FX A 301 18.896 9.084 2.884 1.00 18.44 H new HETATM 0 H16 0FX A 301 17.791 9.309 1.807 1.00 18.44 H new HETATM 0 H14 0FX A 301 20.966 14.002 9.870 1.00 32.04 H new HETATM 0 H13 0FX A 301 21.608 14.831 8.683 1.00 32.04 H new HETATM 0 H12 0FX A 301 20.084 14.403 8.616 1.00 32.04 H new HETATM 0 H11 0FX A 301 20.751 12.123 8.462 1.00 28.01 H new HETATM 0 H1 0FX A 301 18.853 8.935 6.131 1.00 20.33 H new HETATM 2031 N1 FON A 302 25.196 17.883 15.350 1.00 41.10 N HETATM 2032 C2 FON A 302 26.482 17.586 15.692 1.00 53.70 C HETATM 2033 NA2 FON A 302 27.143 18.416 16.550 1.00 50.39 N HETATM 2034 N3 FON A 302 27.133 16.481 15.196 1.00 57.13 N HETATM 2035 C4 FON A 302 26.513 15.609 14.337 1.00 51.63 C HETATM 2036 O4 FON A 302 27.146 14.609 13.911 1.00 49.16 O HETATM 2037 C4A FON A 302 25.093 15.905 13.944 1.00 49.46 C HETATM 2038 N5 FON A 302 24.284 15.143 13.079 1.00 51.58 N HETATM 2039 C6 FON A 302 23.359 15.874 12.180 1.00 48.94 C HETATM 2040 C7 FON A 302 22.441 16.655 13.180 1.00 44.47 C HETATM 2041 N8 FON A 302 23.151 17.427 14.176 1.00 43.33 N HETATM 2042 C8A FON A 302 24.450 17.125 14.525 1.00 46.82 C HETATM 2043 C9 FON A 302 24.177 16.699 11.148 1.00 52.92 C HETATM 2044 CP1 FON A 302 24.314 13.870 13.132 1.00 54.79 C HETATM 2045 O3 FON A 302 23.591 13.199 12.406 1.00 52.87 O HETATM 0 HN22 FON A 302 27.955 18.243 16.776 1.00 50.39 H new HETATM 0 HN21 FON A 302 26.748 19.112 16.865 1.00 50.39 H new HETATM 0 HCP1 FON A 302 24.915 13.429 13.753 1.00 54.79 H new HETATM 0 HC72 FON A 302 21.867 17.252 12.675 1.00 44.47 H new HETATM 0 HN8 FON A 302 22.755 18.088 14.558 1.00 43.33 H new HETATM 0 HN1 FON A 302 24.842 18.594 15.680 1.00 41.10 H new HETATM 0 H7 FON A 302 21.863 16.021 13.632 1.00 44.47 H new HETATM 0 H61 FON A 302 22.796 15.338 11.600 1.00 48.94 H new HETATM 2046 NA NA A 303 21.557 0.810 26.164 1.00 42.18 NA HETATM 2047 P PO4 A 304 30.944 -5.579 -7.212 1.00 77.12 P HETATM 2048 O1 PO4 A 304 30.107 -5.826 -8.436 1.00 84.55 O HETATM 2049 O2 PO4 A 304 32.376 -5.291 -7.633 1.00 76.60 O HETATM 2050 O3 PO4 A 304 30.852 -6.824 -6.330 1.00 77.94 O HETATM 2051 O4 PO4 A 304 30.447 -4.336 -6.514 1.00 59.36 O HETATM 2052 O HOH A 401 24.120 11.229 11.833 1.00 29.93 O HETATM 2053 O HOH A 402 19.242 21.050 4.607 1.00 37.49 O HETATM 2054 O HOH A 403 19.330 -19.295 -13.478 1.00 27.81 O HETATM 2055 O HOH A 404 30.402 -7.344 9.697 1.00 28.90 O HETATM 2056 O HOH A 405 4.159 3.123 12.854 1.00 46.98 O HETATM 2057 O HOH A 406 17.024 19.002 -2.862 1.00 33.80 O HETATM 2058 O HOH A 407 24.261 30.661 14.727 1.00 33.08 O HETATM 2059 O HOH A 408 18.669 -1.023 24.582 1.00 35.72 O HETATM 2060 O HOH A 409 11.095 9.659 36.805 1.00 48.56 O HETATM 2061 O HOH A 410 28.170 25.477 25.517 1.00 39.48 O HETATM 2062 O HOH A 411 34.892 -2.507 15.380 1.00 35.40 O HETATM 2063 O HOH A 412 7.795 0.230 21.513 1.00 40.26 O HETATM 2064 O HOH A 413 21.312 -21.598 -10.910 1.00 40.59 O HETATM 2065 O HOH A 414 20.883 -10.864 -4.616 1.00 35.40 O HETATM 2066 O HOH A 415 3.779 14.010 5.761 1.00 34.01 O HETATM 2067 O HOH A 416 39.637 -4.425 -7.033 1.00 41.04 O HETATM 2068 O HOH A 417 15.222 31.787 13.060 1.00 34.32 O HETATM 2069 O HOH A 418 21.273 14.492 1.723 1.00 27.27 O HETATM 2070 O HOH A 419 39.336 7.971 10.687 1.00 27.91 O HETATM 2071 O HOH A 420 31.300 -3.455 -0.830 1.00 35.58 O HETATM 2072 O HOH A 421 19.794 31.969 27.668 1.00 33.03 O HETATM 2073 O HOH A 422 43.535 6.703 -18.845 1.00 41.63 O HETATM 2074 O HOH A 423 4.771 22.288 22.984 1.00 47.86 O HETATM 2075 O HOH A 424 22.056 5.854 5.561 1.00 19.92 O HETATM 2076 O HOH A 425 39.668 4.210 -11.408 1.00 31.13 O HETATM 2077 O HOH A 426 1.182 13.688 11.943 1.00 36.28 O HETATM 2078 O HOH A 427 20.632 -4.346 20.270 1.00 46.44 O HETATM 2079 O HOH A 428 38.565 -2.009 18.913 1.00 30.79 O HETATM 2080 O HOH A 429 26.988 34.024 20.789 1.00 36.40 O HETATM 2081 O HOH A 430 22.160 30.085 21.942 1.00 22.29 O HETATM 2082 O HOH A 431 20.358 17.347 1.914 1.00 43.19 O HETATM 2083 O HOH A 432 10.165 13.873 35.259 1.00 39.80 O HETATM 2084 O HOH A 433 21.641 15.980 -3.410 1.00 30.01 O HETATM 2085 O HOH A 434 9.181 25.129 4.955 1.00 40.17 O HETATM 2086 O HOH A 435 5.410 24.386 0.380 1.00 32.34 O HETATM 2087 O HOH A 436 22.561 28.493 17.429 1.00 21.40 O HETATM 2088 O HOH A 437 19.971 -6.526 11.146 1.00 33.55 O HETATM 2089 O HOH A 438 15.704 -12.812 -10.058 1.00 37.20 O HETATM 2090 O HOH A 439 29.294 6.769 18.326 1.00 28.65 O HETATM 2091 O HOH A 440 36.912 11.988 -1.364 1.00 36.57 O HETATM 2092 O HOH A 441 19.361 -0.183 -9.378 1.00 22.77 O HETATM 2093 O HOH A 442 32.183 13.431 -14.581 1.00 32.56 O HETATM 2094 O HOH A 443 27.628 34.533 17.509 1.00 40.68 O HETATM 2095 O HOH A 444 20.833 11.520 12.136 1.00 27.53 O HETATM 2096 O HOH A 445 17.041 13.844 6.687 1.00 23.01 O HETATM 2097 O HOH A 446 10.040 -1.929 13.636 1.00 37.57 O HETATM 2098 O HOH A 447 17.143 -4.979 -9.319 1.00 40.57 O HETATM 2099 O HOH A 448 22.461 10.479 28.704 1.00 38.55 O HETATM 2100 O HOH A 449 20.217 -6.756 -3.609 1.00 28.79 O HETATM 2101 O HOH A 450 6.331 25.050 8.624 1.00 29.69 O HETATM 2102 O HOH A 451 33.854 16.905 -3.982 1.00 41.29 O HETATM 2103 O HOH A 452 3.807 0.699 25.085 1.00 48.07 O HETATM 2104 O HOH A 453 27.395 -4.406 7.470 1.00 23.62 O HETATM 2105 O HOH A 454 15.494 9.666 3.350 1.00 24.53 O HETATM 2106 O HOH A 455 42.331 7.794 -11.200 1.00 51.63 O HETATM 2107 O HOH A 456 16.757 -4.361 7.992 1.00 26.60 O HETATM 2108 O HOH A 457 36.442 7.161 4.913 1.00 27.64 O HETATM 2109 O HOH A 458 34.086 8.536 -9.289 1.00 28.04 O HETATM 2110 O HOH A 459 24.007 31.983 22.354 1.00 25.01 O HETATM 2111 O HOH A 460 28.023 18.717 24.257 1.00 32.83 O HETATM 2112 O HOH A 461 29.282 24.451 18.597 1.00 37.33 O HETATM 2113 O HOH A 462 16.347 -3.595 0.965 1.00 22.11 O HETATM 2114 O HOH A 463 6.193 7.684 5.578 1.00 43.47 O HETATM 2115 O HOH A 464 20.373 6.129 -8.841 1.00 18.63 O HETATM 2116 O HOH A 465 23.634 7.653 -10.136 1.00 19.96 O HETATM 2117 O HOH A 466 26.567 -7.334 14.032 1.00 38.95 O HETATM 2118 O HOH A 467 4.937 17.671 29.236 1.00 27.91 O HETATM 2119 O HOH A 468 35.991 0.148 -3.752 1.00 30.69 O HETATM 2120 O HOH A 469 18.260 -3.866 19.853 1.00 45.01 O HETATM 2121 O HOH A 470 11.861 30.054 26.806 1.00 32.80 O HETATM 2122 O HOH A 471 33.529 -6.334 3.796 1.00 36.34 O HETATM 2123 O HOH A 472 6.854 15.372 37.493 1.00 46.30 O HETATM 2124 O HOH A 473 20.237 -8.953 2.925 1.00 31.90 O HETATM 2125 O HOH A 474 12.327 16.480 4.884 1.00 21.01 O HETATM 2126 O HOH A 475 2.534 22.017 9.558 1.00 36.08 O HETATM 2127 O HOH A 476 6.548 6.015 8.671 1.00 26.64 O HETATM 2128 O HOH A 477 15.247 12.463 4.851 1.00 25.61 O HETATM 2129 O HOH A 478 8.035 22.448 26.024 1.00 43.77 O HETATM 2130 O HOH A 479 13.653 33.087 16.694 1.00 21.88 O HETATM 2131 O HOH A 480 35.329 -2.708 -1.112 1.00 36.40 O HETATM 2132 O HOH A 481 21.747 8.390 4.723 1.00 18.83 O HETATM 2133 O HOH A 482 13.606 5.833 -7.449 1.00 37.45 O HETATM 2134 O HOH A 483 15.787 10.490 -17.186 1.00 26.72 O HETATM 2135 O HOH A 484 30.265 -5.425 12.771 1.00 41.83 O HETATM 2136 O HOH A 485 19.271 -7.106 -0.173 1.00 23.94 O HETATM 2137 O HOH A 486 6.629 22.064 16.216 1.00 25.68 O HETATM 2138 O HOH A 487 20.396 7.046 31.596 1.00 43.91 O HETATM 2139 O HOH A 488 12.900 19.001 5.824 1.00 21.00 O HETATM 2140 O HOH A 489 20.146 -3.520 -8.627 1.00 45.13 O HETATM 2141 O HOH A 490 15.796 25.965 9.302 1.00 38.25 O HETATM 2142 O HOH A 491 31.397 20.259 25.963 1.00 52.27 O HETATM 2143 O HOH A 492 28.314 2.338 8.830 1.00 15.75 O HETATM 2144 O HOH A 493 29.735 7.830 5.388 1.00 19.48 O HETATM 2145 O HOH A 494 29.761 15.423 -8.434 1.00 44.56 O HETATM 2146 O HOH A 495 35.695 9.903 2.209 1.00 36.40 O HETATM 2147 O HOH A 496 11.036 6.896 -9.429 1.00 43.70 O HETATM 2148 O HOH A 497 2.010 17.484 20.789 1.00 46.35 O HETATM 2149 O HOH A 498 15.476 6.734 -0.589 1.00 24.91 O HETATM 2150 O HOH A 499 25.822 4.845 -10.651 1.00 23.02 O HETATM 2151 O HOH A 500 28.192 5.334 11.152 1.00 20.49 O HETATM 2152 O HOH A 501 35.183 10.190 -2.555 1.00 26.55 O HETATM 2153 O HOH A 502 27.618 19.622 19.710 1.00 36.22 O HETATM 2154 O HOH A 503 12.872 30.714 18.243 1.00 24.20 O HETATM 2155 O HOH A 504 36.292 -3.914 3.893 1.00 29.98 O HETATM 2156 O HOH A 505 25.494 14.528 -8.867 1.00 32.02 O HETATM 2157 O HOH A 506 35.877 13.037 -8.444 1.00 54.22 O HETATM 2158 O HOH A 507 15.398 14.172 30.070 1.00 37.80 O HETATM 2159 O HOH A 508 35.368 1.801 -5.603 1.00 31.50 O HETATM 2160 O HOH A 509 21.135 15.403 -10.463 1.00 28.55 O HETATM 2161 O HOH A 510 12.669 7.886 4.281 1.00 20.90 O HETATM 2162 O HOH A 511 18.412 17.129 29.415 1.00 25.64 O HETATM 2163 O HOH A 512 5.472 3.214 14.912 1.00 35.00 O HETATM 2164 O HOH A 513 14.776 14.101 32.296 1.00 50.50 O HETATM 2165 O HOH A 514 31.227 17.096 6.630 1.00 37.11 O HETATM 2166 O HOH A 515 13.898 28.703 14.723 1.00 17.90 O HETATM 2167 O HOH A 516 36.484 4.775 2.192 1.00 41.11 O HETATM 2168 O HOH A 517 17.129 8.841 -13.258 1.00 21.05 O HETATM 2169 O HOH A 518 22.020 -17.831 -11.494 1.00 36.70 O HETATM 2170 O HOH A 519 11.373 -2.391 11.145 1.00 28.33 O HETATM 2171 O HOH A 520 10.823 14.055 4.688 1.00 21.67 O HETATM 2172 O HOH A 521 10.820 0.919 24.068 1.00 31.83 O HETATM 2173 O HOH A 522 18.680 -7.728 -7.011 1.00 47.97 O HETATM 2174 O HOH A 523 12.561 -0.518 4.976 1.00 21.17 O HETATM 2175 O HOH A 524 27.458 -7.649 4.940 1.00 26.19 O HETATM 2176 O HOH A 525 29.385 -3.312 3.963 1.00 27.91 O HETATM 2177 O HOH A 526 26.142 -11.162 -1.939 1.00 33.66 O HETATM 2178 O HOH A 527 15.443 2.658 -10.022 1.00 34.05 O HETATM 2179 O HOH A 528 2.444 17.976 0.801 1.00 41.35 O HETATM 2180 O HOH A 529 18.950 -16.443 -6.530 1.00 45.62 O HETATM 2181 O HOH A 530 35.516 11.773 -17.857 1.00 39.67 O HETATM 2182 O HOH A 531 23.589 16.298 24.564 1.00 23.33 O HETATM 2183 O HOH A 532 23.847 15.204 -2.021 1.00 41.93 O HETATM 2184 O HOH A 533 10.811 27.976 15.007 1.00 45.83 O HETATM 2185 O HOH A 534 30.185 -1.247 15.580 1.00 37.11 O HETATM 2186 O HOH A 535 12.740 0.745 25.707 1.00 33.44 O HETATM 2187 O HOH A 536 13.606 5.262 0.682 1.00 25.53 O HETATM 2188 O HOH A 537 33.236 13.006 -17.491 1.00 36.49 O HETATM 2189 O HOH A 538 12.594 -3.019 24.751 1.00 31.01 O HETATM 2190 O HOH A 539 21.030 0.000 29.197 0.50 35.76 O HETATM 2191 O HOH A 540 18.958 -10.328 -6.746 1.00 36.60 O HETATM 2192 O HOH A 541 11.283 -0.550 1.641 1.00 25.07 O HETATM 2193 O HOH A 542 24.166 22.871 9.986 1.00 35.04 O HETATM 2194 O HOH A 543 22.039 -19.488 -7.622 1.00 45.78 O HETATM 2195 O HOH A 544 7.845 24.910 23.060 1.00 36.50 O HETATM 2196 O HOH A 545 31.530 -5.320 6.824 1.00 39.60 O HETATM 2197 O HOH A 546 37.881 9.538 8.619 1.00 24.89 O HETATM 2198 O HOH A 547 20.957 13.636 -6.858 1.00 42.06 O HETATM 2199 O HOH A 548 22.172 28.482 28.386 1.00 46.25 O HETATM 2200 O HOH A 549 27.699 26.789 20.726 1.00 28.16 O HETATM 2201 O HOH A 550 8.101 0.302 25.088 1.00 42.18 O HETATM 2202 O HOH A 551 6.977 1.412 8.910 1.00 44.10 O HETATM 2203 O HOH A 552 6.744 26.390 10.554 1.00 37.61 O HETATM 2204 O HOH A 553 15.238 6.956 -5.646 1.00 38.46 O HETATM 2205 O HOH A 554 19.036 21.942 7.270 1.00 33.95 O HETATM 2206 O HOH A 555 11.060 0.027 7.169 1.00 25.38 O HETATM 2207 O HOH A 556 27.432 16.450 18.675 1.00 45.33 O HETATM 2208 O HOH A 557 23.571 6.843 -4.172 1.00 19.74 O HETATM 2209 O HOH A 558 3.143 14.230 22.334 1.00 36.01 O HETATM 2210 O HOH A 559 4.638 18.569 16.671 1.00 36.13 O HETATM 2211 O HOH A 560 21.970 32.416 12.092 1.00 39.54 O HETATM 2212 O HOH A 561 43.786 6.810 -13.382 1.00 39.05 O HETATM 2213 O HOH A 562 27.320 26.212 27.643 1.00 36.29 O HETATM 2214 O HOH A 563 5.258 17.515 36.135 1.00 45.76 O HETATM 2215 O HOH A 564 25.124 -0.098 34.168 1.00 39.42 O HETATM 2216 O HOH A 565 17.139 -12.434 -7.284 1.00 49.11 O HETATM 2217 O HOH A 566 29.078 10.645 24.895 1.00 32.51 O HETATM 2218 O HOH A 567 5.470 18.504 31.721 1.00 37.53 O HETATM 2219 O HOH A 568 29.309 -5.688 -1.678 1.00 40.63 O HETATM 2220 O HOH A 569 24.844 -5.793 15.132 1.00 28.01 O HETATM 2221 O HOH A 570 26.115 4.831 30.958 1.00 33.71 O HETATM 2222 O HOH A 571 20.729 9.464 31.403 1.00 47.44 O HETATM 2223 O HOH A 572 20.414 -7.524 7.097 1.00 30.13 O HETATM 2224 O HOH A 573 19.236 5.458 14.034 1.00 35.29 O HETATM 2225 O HOH A 574 14.929 7.652 -14.228 1.00 36.85 O HETATM 2226 O HOH A 575 19.897 15.485 31.221 1.00 48.47 O HETATM 2227 O HOH A 576 35.316 7.719 -11.679 1.00 28.82 O HETATM 2228 O HOH A 577 31.141 11.627 13.674 1.00 31.32 O HETATM 2229 O HOH A 578 18.716 1.248 -6.797 1.00 21.41 O HETATM 2230 O HOH A 579 23.861 17.597 28.098 1.00 40.47 O HETATM 2231 O HOH A 580 10.997 10.203 4.684 1.00 22.45 O HETATM 2232 O HOH A 581 31.803 17.742 2.795 1.00 35.46 O HETATM 2233 O HOH A 582 14.496 31.420 26.546 1.00 46.49 O HETATM 2234 O HOH A 583 0.983 14.209 29.338 1.00 38.20 O HETATM 2235 O HOH A 584 24.967 14.592 -4.427 1.00 48.22 O HETATM 2236 O HOH A 585 4.403 20.851 15.917 1.00 31.43 O HETATM 2237 O HOH A 586 28.646 13.317 19.388 1.00 38.98 O HETATM 2238 O HOH A 587 29.912 17.241 4.641 1.00 44.05 O HETATM 2239 O HOH A 588 25.673 12.966 10.022 1.00 38.72 O HETATM 2240 O HOH A 589 8.923 9.860 3.621 1.00 38.66 O HETATM 2241 O HOH A 590 4.193 23.899 9.416 1.00 35.67 O HETATM 2242 O HOH A 591 27.969 10.677 12.109 1.00 25.06 O HETATM 2243 O HOH A 592 12.304 11.529 -1.079 1.00 27.99 O HETATM 2244 O HOH A 593 18.313 0.000 29.197 0.50 41.20 O HETATM 2245 O HOH A 594 28.749 -3.149 16.399 1.00 41.13 O HETATM 2246 O HOH A 595 0.983 13.445 6.922 1.00 38.12 O HETATM 2247 O HOH A 596 19.194 -0.778 31.615 1.00 41.56 O HETATM 2248 O HOH A 597 4.465 5.238 10.186 1.00 42.09 O HETATM 2249 O HOH A 598 27.637 9.734 13.966 1.00 34.59 O HETATM 2250 O HOH A 599 30.172 -4.285 1.494 1.00 35.96 O HETATM 2251 O HOH A 600 27.379 16.566 25.864 1.00 44.75 O HETATM 2252 O HOH A 601 14.760 -3.603 3.556 1.00 35.48 O HETATM 2253 O HOH A 602 27.638 15.366 -7.682 1.00 37.42 O HETATM 2254 O HOH A 603 26.807 14.105 17.591 1.00 38.39 O HETATM 2255 O HOH A 604 12.689 12.709 3.708 1.00 24.84 O HETATM 2256 O HOH A 605 2.498 16.937 28.937 1.00 45.94 O HETATM 2257 O HOH A 606 29.028 22.526 16.389 1.00 50.67 O HETATM 2258 O HOH A 607 21.290 -9.059 8.563 1.00 51.97 O HETATM 2259 O HOH A 608 3.604 16.377 17.184 1.00 51.19 O HETATM 2260 O HOH A 609 31.287 13.983 13.762 1.00 46.34 O HETATM 2261 O HOH A 610 21.585 -17.852 -14.111 1.00 35.46 O HETATM 2262 O HOH A 611 29.484 27.199 22.936 1.00 42.26 O HETATM 2263 O HOH A 612 36.339 9.653 -5.045 1.00 32.29 O HETATM 2264 O HOH A 613 3.290 14.080 2.771 1.00 34.25 O HETATM 2265 O HOH A 614 12.500 7.568 1.756 1.00 41.40 O HETATM 2266 O HOH A 615 17.877 19.698 30.778 1.00 43.10 O HETATM 2267 O HOH A 616 15.052 -0.946 -2.437 1.00 34.27 O HETATM 2268 O HOH A 617 35.641 7.880 -7.102 1.00 43.75 O HETATM 2269 O HOH A 618 23.484 12.880 28.270 1.00 38.80 O HETATM 2270 O HOH A 619 28.691 -5.515 5.497 1.00 29.88 O HETATM 2271 O HOH A 620 25.129 26.021 14.557 1.00 46.15 O HETATM 2272 O HOH A 621 18.780 -8.558 5.075 1.00 40.47 O HETATM 2273 O HOH A 622 29.990 20.245 19.146 1.00 49.08 O HETATM 2274 O HOH A 623 16.012 33.212 26.246 1.00 46.91 O HETATM 2275 O HOH A 624 44.449 -0.439 -11.183 1.00 50.29 O HETATM 2276 O HOH A 625 23.862 8.874 29.940 1.00 47.76 O HETATM 2277 O HOH A 626 21.672 17.436 -11.936 1.00 35.78 O HETATM 2278 O HOH A 627 10.456 -3.686 23.627 1.00 42.88 O HETATM 2279 O HOH A 628 13.821 28.886 9.746 1.00 47.11 O HETATM 2280 O HOH A 629 14.140 6.451 -3.454 1.00 33.83 O HETATM 2281 O HOH A 630 20.242 17.530 -1.967 1.00 30.11 O HETATM 2282 O HOH A 631 14.696 -2.896 -0.728 1.00 34.55 O HETATM 2283 O HOH A 632 26.313 28.775 19.848 1.00 33.36 O HETATM 2284 O HOH A 633 15.173 -5.083 5.955 1.00 31.57 O HETATM 2285 O HOH A 634 10.217 -1.774 8.949 1.00 32.01 O HETATM 2286 O HOH A 635 14.830 -5.408 9.578 1.00 43.79 O HETATM 2287 O HOH A 636 16.972 -6.234 0.450 1.00 33.46 O HETATM 2288 O HOH A 637 26.186 32.385 27.784 1.00 49.69 O HETATM 2289 O HOH A 638 16.627 -0.405 -6.646 1.00 36.94 O HETATM 2290 O HOH A 639 11.336 32.329 15.583 1.00 34.97 O HETATM 2291 O HOH A 640 23.747 28.495 20.011 1.00 26.89 O HETATM 2292 O HOH A 641 -0.359 14.304 31.369 1.00 40.47 O HETATM 2293 O HOH A 642 25.227 37.298 15.565 1.00 36.67 O HETATM 2294 O HOH A 643 15.683 -10.140 1.456 1.00 34.28 O HETATM 2295 O HOH A 644 18.417 -6.424 8.649 1.00 34.89 O HETATM 2296 O HOH A 645 1.753 15.386 37.214 1.00 47.74 O HETATM 2297 O HOH A 646 12.821 0.279 -2.689 1.00 38.79 O HETATM 2298 O HOH A 647 35.993 4.985 -5.059 1.00 36.08 O HETATM 2299 O HOH A 648 15.963 -6.756 -2.131 1.00 46.91 O HETATM 2300 O HOH A 649 16.433 -7.518 5.009 1.00 38.67 O HETATM 2301 O HOH A 650 0.772 17.321 35.926 1.00 46.79 O HETATM 2302 O HOH A 651 38.752 7.840 -3.508 1.00 54.37 O CONECT 1092 2046 CONECT 1431 2046 CONECT 1996 1997 CONECT 1997 1996 1998 1999 2010 CONECT 1998 1997 CONECT 1999 1997 2000 CONECT 2000 1999 2001 2009 CONECT 2001 2000 2002 2003 CONECT 2002 2001 CONECT 2003 2001 2004 2005 CONECT 2004 2003 CONECT 2005 2003 2006 2007 CONECT 2006 2005 CONECT 2007 2005 2008 2009 CONECT 2008 2007 CONECT 2009 2000 2007 CONECT 2010 1997 2011 CONECT 2011 2010 2012 2013 2014 CONECT 2012 2011 CONECT 2013 2011 CONECT 2014 2011 2015 CONECT 2015 2014 2016 CONECT 2016 2015 2017 2018 CONECT 2017 2016 2021 CONECT 2018 2016 2019 2020 CONECT 2019 2018 CONECT 2020 2018 2021 CONECT 2021 2017 2020 2022 CONECT 2022 2021 2023 2026 CONECT 2023 2022 2024 CONECT 2024 2023 2025 2029 CONECT 2025 2024 CONECT 2026 2022 2027 2028 CONECT 2027 2026 CONECT 2028 2026 2029 CONECT 2029 2024 2028 2030 CONECT 2030 2029 CONECT 2031 2032 2042 CONECT 2032 2031 2033 2034 CONECT 2033 2032 CONECT 2034 2032 2035 CONECT 2035 2034 2036 2037 CONECT 2036 2035 CONECT 2037 2035 2038 2042 CONECT 2038 2037 2039 2044 CONECT 2039 2038 2040 2043 CONECT 2040 2039 2041 CONECT 2041 2040 2042 CONECT 2042 2031 2037 2041 CONECT 2043 2039 CONECT 2044 2038 2045 CONECT 2045 2044 CONECT 2046 1092 1431 2190 CONECT 2047 2048 2049 2050 2051 CONECT 2048 2047 CONECT 2049 2047 CONECT 2050 2047 CONECT 2051 2047 CONECT 2190 2046 END