USER MOD reduce.3.24.130724 H: found=0, std=0, add=1689, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER COMPLEX (ISOMERASE/KINASE) 22-SEP-98 2FAP TITLE THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-(C16)- TITLE 2 ETHOXY RAPAMYCIN COMPLEX INTERACTING WITH HUMA COMPND MOL_ID: 1; COMPND 2 MOLECULE: FK506-BINDING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: FKBP12; COMPND 5 EC: 5.2.1.8; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: FRAP; COMPND 9 CHAIN: B; COMPND 0 FRAGMENT: FRB; COMPND 1 SYNONYM: FKBP-RAPAMYCIN ASSOCIATED PROTEIN; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 GENE: HUMAN HIPPOCAMPAL CDNA LIBRARY (CLONTECH, PALO ALTO, CA); SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) (NOVAGEN); SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-3X; SOURCE 1 MOL_ID: 2; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 GENE: HUMAN HIPPOCAMPAL CDNA LIBRARY; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-3X KEYWDS FKBP12, FRAP, RAPAMYCIN, COMPLEX (ISOMERASE-KINASE), COMPLEX KEYWDS 2 (ISOMERASE-KINASE) COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR J.LIANG,J.CHOI,J.CLARDY REVDAT 5 18-SEP-13 2FAP 1 REMARK VERSN REVDAT 4 24-FEB-09 2FAP 1 VERSN REVDAT 3 01-APR-03 2FAP 1 JRNL REVDAT 2 09-AUG-99 2FAP 1 REVDAT 1 18-MAY-99 2FAP 0 JRNL AUTH J.LIANG,J.CHOI,J.CLARDY JRNL TITL REFINED STRUCTURE OF THE FKBP12-RAPAMYCIN-FRB TERNARY JRNL TITL 2 COMPLEX AT 2.2 A RESOLUTION. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 55 736 1999 JRNL REFN ISSN 0907-4449 JRNL PMID 10089303 JRNL DOI 10.1107/S0907444998014747 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.CHOI,J.CHEN,S.L.SCHREIBER,J.CLARDY REMARK 1 TITL STRUCTURE OF THE FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH REMARK 1 TITL 2 THE BINDING DOMAIN OF HUMAN FRAP REMARK 1 REF SCIENCE V. 273 239 1996 REMARK 1 REFN ISSN 0036-8075 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.4 REMARK 3 NUMBER OF REFLECTIONS : 12865 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : RFREE REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.196 REMARK 3 FREE R VALUE : 0.266 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1628 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 66 REMARK 3 SOLVENT ATOMS : 126 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 0.94 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.50 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.40 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2FAP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 29-JUL-96 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 8.5 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 RUH2R 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 : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : XUONG-HAMLIN MULTIWIRE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : UCSD REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12865 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 100.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.4 REMARK 200 DATA REDUNDANCY : 3.000 REMARK 200 R MERGE (I) : 0.08700 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.30 REMARK 200 COMPLETENESS FOR SHELL (%) : 90.8 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.27000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1FAP REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.58 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 8.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 22.31500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.26500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 26.07000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.26500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.31500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 26.07000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 B 321 O HOH B 343 3455 1.40 REMARK 500 CG LYS B 2045 O HOH B 405 3455 1.79 REMARK 500 O HOH B 398 O HOH B 421 3455 1.80 REMARK 500 CD LYS B 2045 O HOH B 405 3455 1.94 REMARK 500 O HOH B 308 O HOH B 332 3445 2.01 REMARK 500 CG LYS B 2045 O GLN B 2072 3455 2.11 REMARK 500 O HOH B 325 O HOH B 385 3445 2.12 REMARK 500 CB LYS B 2045 O GLN B 2072 3455 2.13 REMARK 500 NZ LYS A 73 O VAL B 2019 2465 2.14 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 ARG A 13 -33.63 -131.94 REMARK 500 ALA A 81 -100.72 -143.32 REMARK 500 ILE A 90 -63.42 -124.36 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 404 DISTANCE = 7.61 ANGSTROMS REMARK 525 HOH A 409 DISTANCE = 5.12 ANGSTROMS REMARK 525 HOH A 411 DISTANCE = 5.38 ANGSTROMS REMARK 525 HOH B 421 DISTANCE = 5.78 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE RAD A 108 DBREF 2FAP A 1 107 UNP P62942 FKB1A_HUMAN 1 107 DBREF 2FAP B 2019 2112 UNP P42345 FRAP_HUMAN 2019 2112 SEQRES 1 A 107 GLY VAL GLN VAL GLU THR ILE SER PRO GLY ASP GLY ARG SEQRES 2 A 107 THR PHE PRO LYS ARG GLY GLN THR CYS VAL VAL HIS TYR SEQRES 3 A 107 THR GLY MET LEU GLU ASP GLY LYS LYS PHE ASP SER SER SEQRES 4 A 107 ARG ASP ARG ASN LYS PRO PHE LYS PHE MET LEU GLY LYS SEQRES 5 A 107 GLN GLU VAL ILE ARG GLY TRP GLU GLU GLY VAL ALA GLN SEQRES 6 A 107 MET SER VAL GLY GLN ARG ALA LYS LEU THR ILE SER PRO SEQRES 7 A 107 ASP TYR ALA TYR GLY ALA THR GLY HIS PRO GLY ILE ILE SEQRES 8 A 107 PRO PRO HIS ALA THR LEU VAL PHE ASP VAL GLU LEU LEU SEQRES 9 A 107 LYS LEU GLU SEQRES 1 B 94 VAL ALA ILE LEU TRP HIS GLU MET TRP HIS GLU GLY LEU SEQRES 2 B 94 GLU GLU ALA SER ARG LEU TYR PHE GLY GLU ARG ASN VAL SEQRES 3 B 94 LYS GLY MET PHE GLU VAL LEU GLU PRO LEU HIS ALA MET SEQRES 4 B 94 MET GLU ARG GLY PRO GLN THR LEU LYS GLU THR SER PHE SEQRES 5 B 94 ASN GLN ALA TYR GLY ARG ASP LEU MET GLU ALA GLN GLU SEQRES 6 B 94 TRP CYS ARG LYS TYR MET LYS SER GLY ASN VAL LYS ASP SEQRES 7 B 94 LEU THR GLN ALA TRP ASP LEU TYR TYR HIS VAL PHE ARG SEQRES 8 B 94 ARG ILE SER HET RAD A 108 66 HETNAM RAD C49-METHYL RAPAMYCIN FORMUL 3 RAD C52 H81 N O13 FORMUL 4 HOH *126(H2 O) HELIX 1 1 ARG A 57 GLN A 65 1 9 HELIX 2 2 PRO A 78 TYR A 80 5 3 HELIX 3 3 TRP B 2023 GLU B 2041 1 19 HELIX 4 4 VAL B 2044 ARG B 2060 1 17 HELIX 5 5 LEU B 2065 SER B 2091 1 27 HELIX 6 6 VAL B 2094 ARG B 2110 1 17 SHEET 1 A 5 PHE A 46 MET A 49 0 SHEET 2 A 5 THR A 21 LEU A 30 -1 N VAL A 24 O PHE A 46 SHEET 3 A 5 LEU A 97 GLU A 107 -1 N GLU A 107 O THR A 21 SHEET 4 A 5 ARG A 71 ILE A 76 -1 N ILE A 76 O LEU A 97 SHEET 5 A 5 VAL A 2 SER A 8 -1 N SER A 8 O ARG A 71 SHEET 1 B 2 THR A 27 MET A 29 0 SHEET 2 B 2 LYS A 35 SER A 38 -1 N ASP A 37 O GLY A 28 SITE *** AC1 20 TYR A 26 PHE A 36 ASP A 37 PHE A 46 SITE *** AC1 20 GLN A 53 GLU A 54 VAL A 55 ILE A 56 SITE *** AC1 20 TRP A 59 TYR A 82 PHE A 99 HOH A 331 SITE *** AC1 20 HOH A 377 HOH A 424 LEU B2031 GLU B2032 SITE *** AC1 20 SER B2035 PHE B2039 THR B2098 TYR B2105 CRYST1 44.630 52.140 102.530 90.00 90.00 90.00 P 21 21 21 4 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 0.022406 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019179 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009753 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: B2095 LYS NZ :NH3+ 140:sc= 0.29 (180deg=-0.00214) USER MOD Set 1.2: B2098 THR OG1 : rot -21:sc= 1.3 USER MOD Set 2.1: B2058 MET CE :methyl -157:sc= -0.242 (180deg=-1.07) USER MOD Set 2.2: B2071 ASN :FLIP amide:sc= 0.233 F(o=-0.57,f=-0.0095) USER MOD Set 3.1: B2026 MET CE :methyl -124:sc= -0.188 (180deg=-0.975) USER MOD Set 3.2: B2057 MET CE :methyl -135:sc= -0.428 (180deg=-2.32!) USER MOD Set 4.1: B2055 HIS : no HE2:sc= 0.744 K(o=2.1,f=-7.9!) USER MOD Set 4.2: B2085 CYS SG : rot 138:sc= 0 USER MOD Set 4.3: B2104 TYR OH : rot -6:sc= 1.41 USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 70 GLN : amide:sc= 0.844 K(o=0.84,f=-3.3!) USER MOD Set 6.1: A 27 THR OG1 : rot 180:sc= 0.484 USER MOD Set 6.2: A 38 SER OG : rot 103:sc= 0.538 USER MOD Set 7.1: A 25 HIS : no HD1:sc= 1.73 K(o=3.7,f=-8.1!) USER MOD Set 7.2: A 39 SER OG : rot 100:sc= 1.96 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0739 K(o=-0.074,f=-0.66) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 104:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0273) USER MOD Single : A 20 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= 1.35 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= 1.38 (180deg=0.488) USER MOD Single : A 43 ASN : amide:sc= 1.2 X(o=1.2,f=1.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= -0.063 (180deg=-0.2) USER MOD Single : A 49 MET CE :methyl -168:sc=-0.00469 (180deg=-0.129) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.192) USER MOD Single : A 53 GLN : amide:sc= -0.43 K(o=-0.43,f=-5.1!) USER MOD Single : A 65 GLN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 66 MET CE :methyl 161:sc= -0.449 (180deg=-1.18!) USER MOD Single : A 67 SER OG : rot -99:sc= 1.3 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 86:sc= 0.718 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -169:sc= 0.672 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0066 USER MOD Single : A 87 HIS A:FLIP no HE2:sc= 0.677 F(o=-0.45,f=0.68) USER MOD Single : A 87 HIS B:FLIP no HD1:sc= -0.327 F(o=-2.2!,f=-0.33) USER MOD Single : A 94 HIS : no HD1:sc= 0.983 K(o=0.98,f=-0.052) USER MOD Single : A 96 THR OG1 : rot -125:sc= 0.949 USER MOD Single : A 105 LYS NZ :NH3+ 176:sc= -0.133 (180deg=-0.149) USER MOD Single : A 108 RAD O10 : rot 178:sc= 1.39 USER MOD Single : A 108 RAD O13 : rot -60:sc= 1.26 USER MOD Single : A 108 RAD O6 : rot -64:sc= 0.923 USER MOD Single : B2024 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.58) USER MOD Single : B2028 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.31) USER MOD Single : B2035 SER OG : rot -42:sc= -0.0254 USER MOD Single : B2038 TYR OH : rot 180:sc= 0 USER MOD Single : B2043 ASN : amide:sc= 1 K(o=1,f=-1.7!) USER MOD Single : B2045 LYS NZ :NH3+ 157:sc= 0.748 (180deg=0.476) USER MOD Single : B2047 MET CE :methyl -127:sc= -0.074 (180deg=-2.53!) USER MOD Single : B2063 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B2064 THR OG1 : rot -170:sc= 0.268 USER MOD Single : B2066 LYS NZ :NH3+ 180:sc= 0.151 (180deg=0.151) USER MOD Single : B2068 THR OG1 : rot 76:sc= 0.681 USER MOD Single : B2069 SER OG : rot 180:sc=-0.00834 USER MOD Single : B2072 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.9) USER MOD Single : B2074 TYR OH : rot 30:sc= 0.581 USER MOD Single : B2079 MET CE :methyl -169:sc=-0.00745 (180deg=-0.141) USER MOD Single : B2082 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.8) USER MOD Single : B2087 LYS NZ :NH3+ 148:sc= 0.368 (180deg=0.0804) USER MOD Single : B2088 TYR OH : rot 180:sc= 0 USER MOD Single : B2089 MET CE :methyl 174:sc=-6.27e-05 (180deg=-0.0171) USER MOD Single : B2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B2091 SER OG : rot -161:sc= 0.53 USER MOD Single : B2093 ASN : amide:sc= 0.654 X(o=0.65,f=0.19) USER MOD Single : B2099 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.32) USER MOD Single : B2105 TYR OH : rot 142:sc= 2.22 USER MOD Single : B2106 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.11) USER MOD Single : B2112 SER OG : rot 70:sc= 0.374 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.925 28.639 50.179 1.00 22.39 N ATOM 2 CA GLY A 1 5.746 27.645 49.068 1.00 19.08 C ATOM 3 C GLY A 1 4.431 26.887 49.147 1.00 17.60 C ATOM 4 O GLY A 1 3.358 27.496 49.187 1.00 13.35 O ATOM 0 H1 GLY A 1 6.707 29.052 50.085 1.00 22.39 H new ATOM 0 H2 GLY A 1 5.268 29.238 50.150 1.00 22.39 H new ATOM 0 H3 GLY A 1 5.906 28.216 50.962 1.00 22.39 H new ATOM 0 HA2 GLY A 1 5.795 28.108 48.217 1.00 19.08 H new ATOM 0 HA3 GLY A 1 6.480 27.011 49.088 1.00 19.08 H new ATOM 5 N VAL A 2 4.516 25.561 49.161 1.00 16.82 N ATOM 6 CA VAL A 2 3.375 24.706 49.488 1.00 16.10 C ATOM 7 C VAL A 2 3.840 23.602 50.440 1.00 16.94 C ATOM 8 O VAL A 2 4.963 23.118 50.319 1.00 18.58 O ATOM 9 CB VAL A 2 2.736 24.080 48.204 1.00 14.96 C ATOM 10 CG1 VAL A 2 3.798 23.440 47.325 1.00 10.93 C ATOM 11 CG2 VAL A 2 1.672 23.062 48.579 1.00 11.99 C ATOM 0 H VAL A 2 5.238 25.129 48.981 1.00 16.82 H new ATOM 0 HA VAL A 2 2.693 25.248 49.914 1.00 16.10 H new ATOM 0 HB VAL A 2 2.316 24.794 47.699 1.00 14.96 H new ATOM 0 HG11 VAL A 2 3.380 23.059 46.537 1.00 10.93 H new ATOM 0 HG12 VAL A 2 4.443 24.112 47.055 1.00 10.93 H new ATOM 0 HG13 VAL A 2 4.250 22.739 47.821 1.00 10.93 H new ATOM 0 HG21 VAL A 2 1.287 22.684 47.773 1.00 11.99 H new ATOM 0 HG22 VAL A 2 2.073 22.354 49.108 1.00 11.99 H new ATOM 0 HG23 VAL A 2 0.976 23.497 49.096 1.00 11.99 H new ATOM 12 N GLN A 3 3.059 23.351 51.486 1.00 14.18 N ATOM 13 CA GLN A 3 3.349 22.253 52.410 1.00 15.96 C ATOM 14 C GLN A 3 2.452 21.062 52.092 1.00 13.30 C ATOM 15 O GLN A 3 1.249 21.225 51.879 1.00 13.18 O ATOM 16 CB GLN A 3 3.114 22.677 53.868 1.00 20.56 C ATOM 17 CG GLN A 3 3.263 24.165 54.145 1.00 29.39 C ATOM 18 CD GLN A 3 4.532 24.500 54.901 1.00 34.17 C ATOM 19 OE1 GLN A 3 5.516 23.767 54.845 1.00 38.26 O ATOM 20 NE2 GLN A 3 4.512 25.607 55.625 1.00 35.04 N ATOM 0 H GLN A 3 2.355 23.804 51.681 1.00 14.18 H new ATOM 0 HA GLN A 3 4.282 22.010 52.302 1.00 15.96 H new ATOM 0 HB2 GLN A 3 2.221 22.402 54.129 1.00 20.56 H new ATOM 0 HB3 GLN A 3 3.736 22.194 54.434 1.00 20.56 H new ATOM 0 HG2 GLN A 3 3.256 24.648 53.304 1.00 29.39 H new ATOM 0 HG3 GLN A 3 2.497 24.473 54.655 1.00 29.39 H new ATOM 0 HE21 GLN A 3 3.806 26.097 55.641 1.00 35.04 H new ATOM 0 HE22 GLN A 3 5.205 25.836 56.079 1.00 35.04 H new ATOM 21 N VAL A 4 3.031 19.867 52.099 1.00 12.35 N ATOM 22 CA VAL A 4 2.283 18.644 51.811 1.00 11.03 C ATOM 23 C VAL A 4 2.233 17.717 53.032 1.00 15.16 C ATOM 24 O VAL A 4 3.255 17.189 53.461 1.00 18.15 O ATOM 25 CB VAL A 4 2.909 17.880 50.613 1.00 12.23 C ATOM 26 CG1 VAL A 4 2.046 16.684 50.237 1.00 9.89 C ATOM 27 CG2 VAL A 4 3.064 18.815 49.417 1.00 7.60 C ATOM 0 H VAL A 4 3.864 19.740 52.270 1.00 12.35 H new ATOM 0 HA VAL A 4 1.378 18.911 51.584 1.00 11.03 H new ATOM 0 HB VAL A 4 3.786 17.558 50.875 1.00 12.23 H new ATOM 0 HG11 VAL A 4 2.449 16.217 49.488 1.00 9.89 H new ATOM 0 HG12 VAL A 4 1.979 16.082 50.995 1.00 9.89 H new ATOM 0 HG13 VAL A 4 1.160 16.990 49.988 1.00 9.89 H new ATOM 0 HG21 VAL A 4 3.456 18.329 48.675 1.00 7.60 H new ATOM 0 HG22 VAL A 4 2.194 19.155 49.157 1.00 7.60 H new ATOM 0 HG23 VAL A 4 3.642 19.556 49.658 1.00 7.60 H new ATOM 28 N GLU A 5 1.044 17.553 53.607 1.00 15.35 N ATOM 29 CA GLU A 5 0.854 16.678 54.764 1.00 14.46 C ATOM 30 C GLU A 5 0.042 15.431 54.414 1.00 11.19 C ATOM 31 O GLU A 5 -1.133 15.526 54.072 1.00 12.68 O ATOM 32 CB GLU A 5 0.149 17.435 55.893 1.00 16.58 C ATOM 33 CG GLU A 5 1.082 18.185 56.833 1.00 20.38 C ATOM 34 CD GLU A 5 0.331 19.122 57.758 1.00 22.55 C ATOM 35 OE1 GLU A 5 0.033 20.257 57.339 1.00 27.29 O ATOM 36 OE2 GLU A 5 0.023 18.719 58.899 1.00 24.41 O ATOM 0 H GLU A 5 0.326 17.944 53.339 1.00 15.35 H new ATOM 0 HA GLU A 5 1.736 16.395 55.053 1.00 14.46 H new ATOM 0 HB2 GLU A 5 -0.474 18.067 55.502 1.00 16.58 H new ATOM 0 HB3 GLU A 5 -0.375 16.804 56.412 1.00 16.58 H new ATOM 0 HG2 GLU A 5 1.587 17.547 57.362 1.00 20.38 H new ATOM 0 HG3 GLU A 5 1.724 18.693 56.312 1.00 20.38 H new ATOM 37 N THR A 6 0.627 14.259 54.616 1.00 10.52 N ATOM 38 CA THR A 6 -0.028 13.017 54.211 1.00 9.16 C ATOM 39 C THR A 6 -1.177 12.630 55.129 1.00 9.49 C ATOM 40 O THR A 6 -1.040 12.646 56.346 1.00 9.61 O ATOM 41 CB THR A 6 0.969 11.853 54.152 1.00 10.14 C ATOM 42 OG1 THR A 6 2.037 12.192 53.260 1.00 10.39 O ATOM 43 CG2 THR A 6 0.291 10.593 53.640 1.00 8.06 C ATOM 0 H THR A 6 1.398 14.158 54.983 1.00 10.52 H new ATOM 0 HA THR A 6 -0.388 13.189 53.327 1.00 9.16 H new ATOM 0 HB THR A 6 1.309 11.691 55.046 1.00 10.14 H new ATOM 0 HG1 THR A 6 2.586 11.557 53.226 1.00 10.39 H new ATOM 0 HG21 THR A 6 0.935 9.868 53.609 1.00 8.06 H new ATOM 0 HG22 THR A 6 -0.437 10.353 54.234 1.00 8.06 H new ATOM 0 HG23 THR A 6 -0.058 10.752 52.749 1.00 8.06 H new ATOM 44 N ILE A 7 -2.339 12.385 54.538 1.00 11.92 N ATOM 45 CA ILE A 7 -3.485 11.855 55.275 1.00 14.99 C ATOM 46 C ILE A 7 -3.569 10.334 55.115 1.00 16.63 C ATOM 47 O ILE A 7 -3.714 9.601 56.091 1.00 18.83 O ATOM 48 CB ILE A 7 -4.807 12.494 54.781 1.00 13.29 C ATOM 49 CG1 ILE A 7 -4.765 14.006 55.006 1.00 9.29 C ATOM 50 CG2 ILE A 7 -5.998 11.880 55.505 1.00 10.39 C ATOM 51 CD1 ILE A 7 -5.984 14.732 54.497 1.00 10.78 C ATOM 0 H ILE A 7 -2.488 12.520 53.702 1.00 11.92 H new ATOM 0 HA ILE A 7 -3.359 12.075 56.211 1.00 14.99 H new ATOM 0 HB ILE A 7 -4.907 12.319 53.832 1.00 13.29 H new ATOM 0 HG12 ILE A 7 -4.668 14.180 55.955 1.00 9.29 H new ATOM 0 HG13 ILE A 7 -3.978 14.368 54.569 1.00 9.29 H new ATOM 0 HG21 ILE A 7 -6.817 12.289 55.186 1.00 10.39 H new ATOM 0 HG22 ILE A 7 -6.025 10.926 55.332 1.00 10.39 H new ATOM 0 HG23 ILE A 7 -5.911 12.033 56.459 1.00 10.39 H new ATOM 0 HD11 ILE A 7 -5.892 15.682 54.671 1.00 10.78 H new ATOM 0 HD12 ILE A 7 -6.073 14.586 53.542 1.00 10.78 H new ATOM 0 HD13 ILE A 7 -6.773 14.396 54.950 1.00 10.78 H new ATOM 52 N SER A 8 -3.479 9.870 53.874 1.00 20.01 N ATOM 53 CA SER A 8 -3.442 8.440 53.581 1.00 18.30 C ATOM 54 C SER A 8 -2.378 8.154 52.530 1.00 17.21 C ATOM 55 O SER A 8 -2.279 8.861 51.529 1.00 17.07 O ATOM 56 CB SER A 8 -4.800 7.958 53.071 1.00 18.44 C ATOM 57 OG SER A 8 -5.799 8.120 54.060 1.00 27.19 O ATOM 0 H SER A 8 -3.438 10.373 53.178 1.00 20.01 H new ATOM 0 HA SER A 8 -3.228 7.966 54.400 1.00 18.30 H new ATOM 0 HB2 SER A 8 -5.045 8.454 52.274 1.00 18.44 H new ATOM 0 HB3 SER A 8 -4.741 7.024 52.816 1.00 18.44 H new ATOM 0 HG SER A 8 -6.536 7.851 53.760 1.00 27.19 H new ATOM 58 N PRO A 9 -1.517 7.156 52.786 1.00 17.71 N ATOM 59 CA PRO A 9 -0.326 6.933 51.959 1.00 15.72 C ATOM 60 C PRO A 9 -0.648 6.385 50.570 1.00 13.36 C ATOM 61 O PRO A 9 -1.627 5.660 50.390 1.00 15.18 O ATOM 62 CB PRO A 9 0.480 5.934 52.782 1.00 15.26 C ATOM 63 CG PRO A 9 -0.561 5.152 53.500 1.00 13.10 C ATOM 64 CD PRO A 9 -1.634 6.149 53.853 1.00 15.87 C ATOM 0 HA PRO A 9 0.147 7.759 51.773 1.00 15.72 H new ATOM 0 HB2 PRO A 9 1.027 5.366 52.217 1.00 15.26 H new ATOM 0 HB3 PRO A 9 1.079 6.382 53.400 1.00 15.26 H new ATOM 0 HG2 PRO A 9 -0.913 4.442 52.941 1.00 13.10 H new ATOM 0 HG3 PRO A 9 -0.197 4.733 54.296 1.00 13.10 H new ATOM 0 HD2 PRO A 9 -2.514 5.740 53.866 1.00 15.87 H new ATOM 0 HD3 PRO A 9 -1.489 6.537 54.730 1.00 15.87 H new ATOM 65 N GLY A 10 0.124 6.820 49.581 1.00 14.11 N ATOM 66 CA GLY A 10 0.090 6.196 48.270 1.00 16.49 C ATOM 67 C GLY A 10 1.171 5.138 48.131 1.00 17.48 C ATOM 68 O GLY A 10 1.952 4.929 49.062 1.00 18.99 O ATOM 0 H GLY A 10 0.675 7.477 49.651 1.00 14.11 H new ATOM 0 HA2 GLY A 10 -0.780 5.793 48.124 1.00 16.49 H new ATOM 0 HA3 GLY A 10 0.207 6.873 47.585 1.00 16.49 H new ATOM 69 N ASP A 11 1.285 4.529 46.952 1.00 17.44 N ATOM 70 CA ASP A 11 2.191 3.390 46.777 1.00 18.15 C ATOM 71 C ASP A 11 3.688 3.730 46.828 1.00 18.47 C ATOM 72 O ASP A 11 4.537 2.845 46.731 1.00 18.88 O ATOM 73 CB ASP A 11 1.846 2.613 45.491 1.00 15.04 C ATOM 74 CG ASP A 11 2.170 3.377 44.208 1.00 19.47 C ATOM 75 OD1 ASP A 11 2.679 4.520 44.250 1.00 18.31 O ATOM 76 OD2 ASP A 11 1.908 2.806 43.130 1.00 23.21 O ATOM 0 H ASP A 11 0.851 4.756 46.245 1.00 17.44 H new ATOM 0 HA ASP A 11 2.040 2.827 47.553 1.00 18.15 H new ATOM 0 HB2 ASP A 11 2.332 1.773 45.490 1.00 15.04 H new ATOM 0 HB3 ASP A 11 0.901 2.394 45.498 1.00 15.04 H new ATOM 77 N GLY A 12 4.003 5.021 46.881 1.00 19.24 N ATOM 78 CA GLY A 12 5.371 5.451 47.119 1.00 22.20 C ATOM 79 C GLY A 12 6.321 5.384 45.934 1.00 26.54 C ATOM 80 O GLY A 12 7.488 5.779 46.041 1.00 28.25 O ATOM 0 H GLY A 12 3.438 5.661 46.781 1.00 19.24 H new ATOM 0 HA2 GLY A 12 5.350 6.366 47.439 1.00 22.20 H new ATOM 0 HA3 GLY A 12 5.739 4.909 47.834 1.00 22.20 H new ATOM 81 N ARG A 13 5.836 4.913 44.791 1.00 27.74 N ATOM 82 CA ARG A 13 6.686 4.851 43.605 1.00 29.60 C ATOM 83 C ARG A 13 6.066 5.414 42.330 1.00 28.15 C ATOM 84 O ARG A 13 6.766 6.011 41.512 1.00 29.13 O ATOM 85 CB ARG A 13 7.185 3.417 43.373 1.00 31.77 C ATOM 86 CG ARG A 13 6.113 2.390 43.040 1.00 35.25 C ATOM 87 CD ARG A 13 6.498 1.015 43.573 1.00 37.01 C ATOM 88 NE ARG A 13 6.299 0.928 45.018 1.00 40.96 N ATOM 89 CZ ARG A 13 5.546 0.011 45.621 1.00 39.78 C ATOM 90 NH1 ARG A 13 5.046 -1.009 44.928 1.00 37.01 N ATOM 91 NH2 ARG A 13 5.341 0.081 46.930 1.00 37.26 N ATOM 0 H ARG A 13 5.032 4.629 44.680 1.00 27.74 H new ATOM 0 HA ARG A 13 7.433 5.438 43.802 1.00 29.60 H new ATOM 0 HB2 ARG A 13 7.832 3.430 42.650 1.00 31.77 H new ATOM 0 HB3 ARG A 13 7.655 3.123 44.169 1.00 31.77 H new ATOM 0 HG2 ARG A 13 5.265 2.665 43.424 1.00 35.25 H new ATOM 0 HG3 ARG A 13 5.988 2.346 42.079 1.00 35.25 H new ATOM 0 HD2 ARG A 13 5.967 0.334 43.130 1.00 37.01 H new ATOM 0 HD3 ARG A 13 7.427 0.833 43.361 1.00 37.01 H new ATOM 0 HE ARG A 13 6.696 1.509 45.513 1.00 40.96 H new ATOM 0 HH11 ARG A 13 5.209 -1.078 44.086 1.00 37.01 H new ATOM 0 HH12 ARG A 13 4.560 -1.599 45.322 1.00 37.01 H new ATOM 0 HH21 ARG A 13 5.694 0.718 47.387 1.00 37.26 H new ATOM 0 HH22 ARG A 13 4.855 -0.511 47.321 1.00 37.26 H new ATOM 92 N THR A 14 4.753 5.266 42.172 1.00 25.01 N ATOM 93 CA THR A 14 4.075 5.824 41.005 1.00 21.60 C ATOM 94 C THR A 14 3.754 7.300 41.174 1.00 21.13 C ATOM 95 O THR A 14 2.747 7.658 41.784 1.00 19.36 O ATOM 96 CB THR A 14 2.771 5.082 40.693 1.00 21.75 C ATOM 97 OG1 THR A 14 2.983 3.672 40.818 1.00 26.22 O ATOM 98 CG2 THR A 14 2.317 5.392 39.272 1.00 23.67 C ATOM 0 H THR A 14 4.241 4.850 42.723 1.00 25.01 H new ATOM 0 HA THR A 14 4.698 5.715 40.269 1.00 21.60 H new ATOM 0 HB THR A 14 2.088 5.372 41.318 1.00 21.75 H new ATOM 0 HG1 THR A 14 2.649 3.401 41.540 1.00 26.22 H new ATOM 0 HG21 THR A 14 1.492 4.918 39.085 1.00 23.67 H new ATOM 0 HG22 THR A 14 2.169 6.346 39.180 1.00 23.67 H new ATOM 0 HG23 THR A 14 3.001 5.110 38.645 1.00 23.67 H new ATOM 99 N PHE A 15 4.660 8.145 40.695 1.00 21.47 N ATOM 100 CA PHE A 15 4.482 9.599 40.713 1.00 22.07 C ATOM 101 C PHE A 15 4.078 10.137 39.330 1.00 25.63 C ATOM 102 O PHE A 15 4.200 9.435 38.321 1.00 24.80 O ATOM 103 CB PHE A 15 5.776 10.279 41.176 1.00 21.89 C ATOM 104 CG PHE A 15 6.149 9.971 42.599 1.00 19.31 C ATOM 105 CD1 PHE A 15 6.893 8.835 42.905 1.00 19.28 C ATOM 106 CD2 PHE A 15 5.705 10.781 43.638 1.00 21.32 C ATOM 107 CE1 PHE A 15 7.178 8.505 44.228 1.00 17.14 C ATOM 108 CE2 PHE A 15 5.986 10.461 44.965 1.00 19.35 C ATOM 109 CZ PHE A 15 6.722 9.319 45.259 1.00 20.15 C ATOM 0 H PHE A 15 5.404 7.891 40.346 1.00 21.47 H new ATOM 0 HA PHE A 15 3.766 9.802 41.335 1.00 22.07 H new ATOM 0 HB2 PHE A 15 6.502 10.004 40.594 1.00 21.89 H new ATOM 0 HB3 PHE A 15 5.680 11.239 41.076 1.00 21.89 H new ATOM 0 HD1 PHE A 15 7.203 8.290 42.218 1.00 19.28 H new ATOM 0 HD2 PHE A 15 5.214 11.547 43.445 1.00 21.32 H new ATOM 0 HE1 PHE A 15 7.672 7.741 44.421 1.00 17.14 H new ATOM 0 HE2 PHE A 15 5.682 11.010 45.652 1.00 19.35 H new ATOM 0 HZ PHE A 15 6.909 9.100 46.143 1.00 20.15 H new ATOM 110 N PRO A 16 3.507 11.355 39.283 1.00 28.22 N ATOM 111 CA PRO A 16 3.140 11.956 37.995 1.00 28.25 C ATOM 112 C PRO A 16 4.317 12.551 37.223 1.00 29.05 C ATOM 113 O PRO A 16 5.226 13.144 37.805 1.00 29.85 O ATOM 114 CB PRO A 16 2.115 13.023 38.380 1.00 26.00 C ATOM 115 CG PRO A 16 2.472 13.383 39.778 1.00 28.29 C ATOM 116 CD PRO A 16 2.930 12.105 40.414 1.00 27.37 C ATOM 0 HA PRO A 16 2.796 11.289 37.381 1.00 28.25 H new ATOM 0 HB2 PRO A 16 2.166 13.792 37.792 1.00 26.00 H new ATOM 0 HB3 PRO A 16 1.209 12.682 38.322 1.00 26.00 H new ATOM 0 HG2 PRO A 16 3.172 14.054 39.798 1.00 28.29 H new ATOM 0 HG3 PRO A 16 1.710 13.754 40.249 1.00 28.29 H new ATOM 0 HD2 PRO A 16 3.587 12.266 41.110 1.00 27.37 H new ATOM 0 HD3 PRO A 16 2.194 11.625 40.824 1.00 27.37 H new ATOM 117 N LYS A 17 4.327 12.325 35.914 1.00 29.69 N ATOM 118 CA LYS A 17 5.280 12.988 35.029 1.00 28.53 C ATOM 119 C LYS A 17 4.644 14.186 34.318 1.00 26.29 C ATOM 120 O LYS A 17 3.429 14.228 34.115 1.00 23.74 O ATOM 121 CB LYS A 17 5.822 11.998 33.991 1.00 29.98 C ATOM 122 CG LYS A 17 6.744 10.933 34.561 1.00 30.83 C ATOM 123 CD LYS A 17 5.981 9.661 34.897 1.00 35.98 C ATOM 124 CE LYS A 17 6.848 8.666 35.660 1.00 36.19 C ATOM 125 NZ LYS A 17 8.048 8.236 34.885 1.00 34.49 N ATOM 0 H LYS A 17 3.787 11.788 35.515 1.00 29.69 H new ATOM 0 HA LYS A 17 6.012 13.313 35.577 1.00 28.53 H new ATOM 0 HB2 LYS A 17 5.074 11.562 33.554 1.00 29.98 H new ATOM 0 HB3 LYS A 17 6.301 12.493 33.307 1.00 29.98 H new ATOM 0 HG2 LYS A 17 7.444 10.733 33.921 1.00 30.83 H new ATOM 0 HG3 LYS A 17 7.178 11.272 35.359 1.00 30.83 H new ATOM 0 HD2 LYS A 17 5.200 9.883 35.428 1.00 35.98 H new ATOM 0 HD3 LYS A 17 5.661 9.250 34.079 1.00 35.98 H new ATOM 0 HE2 LYS A 17 7.134 9.066 36.496 1.00 36.19 H new ATOM 0 HE3 LYS A 17 6.317 7.886 35.886 1.00 36.19 H new ATOM 0 HZ1 LYS A 17 8.499 7.625 35.350 1.00 34.49 H new ATOM 0 HZ2 LYS A 17 7.790 7.886 34.108 1.00 34.49 H new ATOM 0 HZ3 LYS A 17 8.572 8.939 34.734 1.00 34.49 H new ATOM 126 N ARG A 18 5.464 15.183 33.997 1.00 25.51 N ATOM 127 CA ARG A 18 5.032 16.318 33.180 1.00 28.14 C ATOM 128 C ARG A 18 4.359 15.828 31.893 1.00 26.84 C ATOM 129 O ARG A 18 4.883 14.945 31.209 1.00 26.06 O ATOM 130 CB ARG A 18 6.238 17.201 32.833 1.00 32.19 C ATOM 131 CG ARG A 18 5.878 18.556 32.235 1.00 40.09 C ATOM 132 CD ARG A 18 7.103 19.272 31.664 1.00 43.77 C ATOM 133 NE ARG A 18 8.102 19.583 32.686 1.00 47.27 N ATOM 134 CZ ARG A 18 7.978 20.547 33.597 1.00 50.13 C ATOM 135 NH1 ARG A 18 6.884 21.298 33.640 1.00 50.63 N ATOM 136 NH2 ARG A 18 8.946 20.751 34.480 1.00 50.42 N ATOM 0 H ARG A 18 6.286 15.222 34.246 1.00 25.51 H new ATOM 0 HA ARG A 18 4.390 16.838 33.688 1.00 28.14 H new ATOM 0 HB2 ARG A 18 6.762 17.344 33.637 1.00 32.19 H new ATOM 0 HB3 ARG A 18 6.804 16.724 32.206 1.00 32.19 H new ATOM 0 HG2 ARG A 18 5.219 18.435 31.534 1.00 40.09 H new ATOM 0 HG3 ARG A 18 5.468 19.111 32.917 1.00 40.09 H new ATOM 0 HD2 ARG A 18 7.508 18.716 30.980 1.00 43.77 H new ATOM 0 HD3 ARG A 18 6.821 20.093 31.232 1.00 43.77 H new ATOM 0 HE ARG A 18 8.820 19.110 32.700 1.00 47.27 H new ATOM 0 HH11 ARG A 18 6.248 21.164 33.077 1.00 50.63 H new ATOM 0 HH12 ARG A 18 6.811 21.918 34.231 1.00 50.63 H new ATOM 0 HH21 ARG A 18 9.653 20.261 34.464 1.00 50.42 H new ATOM 0 HH22 ARG A 18 8.867 21.373 35.069 1.00 50.42 H new ATOM 137 N GLY A 19 3.147 16.310 31.639 1.00 25.48 N ATOM 138 CA GLY A 19 2.409 15.867 30.467 1.00 25.19 C ATOM 139 C GLY A 19 1.422 14.742 30.733 1.00 24.43 C ATOM 140 O GLY A 19 0.532 14.481 29.922 1.00 25.65 O ATOM 0 H GLY A 19 2.739 16.888 32.128 1.00 25.48 H new ATOM 0 HA2 GLY A 19 1.928 16.623 30.097 1.00 25.19 H new ATOM 0 HA3 GLY A 19 3.041 15.575 29.792 1.00 25.19 H new ATOM 141 N GLN A 20 1.600 14.046 31.851 1.00 24.43 N ATOM 142 CA GLN A 20 0.600 13.094 32.326 1.00 21.39 C ATOM 143 C GLN A 20 -0.647 13.811 32.836 1.00 19.64 C ATOM 144 O GLN A 20 -0.564 14.918 33.371 1.00 18.19 O ATOM 145 CB GLN A 20 1.174 12.238 33.451 1.00 23.39 C ATOM 146 CG GLN A 20 2.058 11.106 32.987 1.00 25.33 C ATOM 147 CD GLN A 20 1.933 9.892 33.876 1.00 26.58 C ATOM 148 OE1 GLN A 20 2.704 9.715 34.812 1.00 30.69 O ATOM 149 NE2 GLN A 20 0.920 9.081 33.626 1.00 26.51 N ATOM 0 H GLN A 20 2.296 14.110 32.352 1.00 24.43 H new ATOM 0 HA GLN A 20 0.355 12.530 31.576 1.00 21.39 H new ATOM 0 HB2 GLN A 20 1.684 12.808 34.048 1.00 23.39 H new ATOM 0 HB3 GLN A 20 0.441 11.870 33.968 1.00 23.39 H new ATOM 0 HG2 GLN A 20 1.824 10.865 32.077 1.00 25.33 H new ATOM 0 HG3 GLN A 20 2.982 11.402 32.973 1.00 25.33 H new ATOM 0 HE21 GLN A 20 0.399 9.237 32.960 1.00 26.51 H new ATOM 0 HE22 GLN A 20 0.782 8.398 34.130 1.00 26.51 H new ATOM 150 N THR A 21 -1.791 13.147 32.727 1.00 19.19 N ATOM 151 CA THR A 21 -3.039 13.681 33.266 1.00 18.46 C ATOM 152 C THR A 21 -3.311 13.132 34.665 1.00 19.70 C ATOM 153 O THR A 21 -3.462 11.923 34.859 1.00 19.06 O ATOM 154 CB THR A 21 -4.242 13.335 32.362 1.00 19.14 C ATOM 155 OG1 THR A 21 -3.975 13.779 31.027 1.00 18.66 O ATOM 156 CG2 THR A 21 -5.515 14.004 32.874 1.00 13.23 C ATOM 0 H THR A 21 -1.868 12.381 32.343 1.00 19.19 H new ATOM 0 HA THR A 21 -2.935 14.645 33.305 1.00 18.46 H new ATOM 0 HB THR A 21 -4.372 12.374 32.373 1.00 19.14 H new ATOM 0 HG1 THR A 21 -4.628 13.590 30.533 1.00 18.66 H new ATOM 0 HG21 THR A 21 -6.257 13.774 32.293 1.00 13.23 H new ATOM 0 HG22 THR A 21 -5.702 13.697 33.775 1.00 13.23 H new ATOM 0 HG23 THR A 21 -5.395 14.967 32.880 1.00 13.23 H new ATOM 157 N CYS A 22 -3.382 14.028 35.641 1.00 19.19 N ATOM 158 CA CYS A 22 -3.668 13.637 37.015 1.00 14.62 C ATOM 159 C CYS A 22 -5.162 13.688 37.316 1.00 13.51 C ATOM 160 O CYS A 22 -5.817 14.705 37.077 1.00 12.56 O ATOM 161 CB CYS A 22 -2.915 14.543 37.985 1.00 15.08 C ATOM 162 SG CYS A 22 -1.128 14.529 37.753 1.00 18.20 S ATOM 0 H CYS A 22 -3.267 14.873 35.528 1.00 19.19 H new ATOM 0 HA CYS A 22 -3.371 12.720 37.128 1.00 14.62 H new ATOM 0 HB2 CYS A 22 -3.239 15.452 37.884 1.00 15.08 H new ATOM 0 HB3 CYS A 22 -3.117 14.269 38.893 1.00 15.08 H new ATOM 0 HG CYS A 22 -0.615 15.265 38.550 1.00 18.20 H new ATOM 163 N VAL A 23 -5.705 12.555 37.756 1.00 11.67 N ATOM 164 CA VAL A 23 -7.099 12.469 38.185 1.00 10.14 C ATOM 165 C VAL A 23 -7.200 12.526 39.715 1.00 11.67 C ATOM 166 O VAL A 23 -6.669 11.666 40.421 1.00 12.07 O ATOM 167 CB VAL A 23 -7.757 11.161 37.695 1.00 7.39 C ATOM 168 CG1 VAL A 23 -9.250 11.210 37.932 1.00 4.75 C ATOM 169 CG2 VAL A 23 -7.462 10.944 36.218 1.00 10.37 C ATOM 0 H VAL A 23 -5.274 11.813 37.814 1.00 11.67 H new ATOM 0 HA VAL A 23 -7.565 13.226 37.796 1.00 10.14 H new ATOM 0 HB VAL A 23 -7.387 10.418 38.196 1.00 7.39 H new ATOM 0 HG11 VAL A 23 -9.654 10.385 37.621 1.00 4.75 H new ATOM 0 HG12 VAL A 23 -9.424 11.318 38.880 1.00 4.75 H new ATOM 0 HG13 VAL A 23 -9.630 11.959 37.447 1.00 4.75 H new ATOM 0 HG21 VAL A 23 -7.880 10.120 35.922 1.00 10.37 H new ATOM 0 HG22 VAL A 23 -7.815 11.688 35.705 1.00 10.37 H new ATOM 0 HG23 VAL A 23 -6.503 10.886 36.085 1.00 10.37 H new ATOM 170 N VAL A 24 -7.854 13.562 40.228 1.00 12.08 N ATOM 171 CA VAL A 24 -7.901 13.776 41.669 1.00 9.46 C ATOM 172 C VAL A 24 -9.320 13.987 42.187 1.00 8.57 C ATOM 173 O VAL A 24 -10.238 14.302 41.431 1.00 7.44 O ATOM 174 CB VAL A 24 -7.031 15.003 42.105 1.00 2.67 C ATOM 175 CG1 VAL A 24 -5.613 14.863 41.606 1.00 2.00 C ATOM 176 CG2 VAL A 24 -7.641 16.288 41.608 1.00 2.06 C ATOM 0 H VAL A 24 -8.275 14.150 39.762 1.00 12.08 H new ATOM 0 HA VAL A 24 -7.542 12.963 42.058 1.00 9.46 H new ATOM 0 HB VAL A 24 -7.009 15.027 43.074 1.00 2.67 H new ATOM 0 HG11 VAL A 24 -5.093 15.632 41.887 1.00 2.00 H new ATOM 0 HG12 VAL A 24 -5.219 14.056 41.972 1.00 2.00 H new ATOM 0 HG13 VAL A 24 -5.614 14.811 40.637 1.00 2.00 H new ATOM 0 HG21 VAL A 24 -7.091 17.037 41.886 1.00 2.06 H new ATOM 0 HG22 VAL A 24 -7.693 16.268 40.640 1.00 2.06 H new ATOM 0 HG23 VAL A 24 -8.532 16.388 41.978 1.00 2.06 H new ATOM 177 N HIS A 25 -9.507 13.758 43.478 1.00 8.13 N ATOM 178 CA HIS A 25 -10.639 14.331 44.189 1.00 7.60 C ATOM 179 C HIS A 25 -10.114 15.426 45.116 1.00 8.98 C ATOM 180 O HIS A 25 -9.076 15.253 45.752 1.00 8.65 O ATOM 181 CB HIS A 25 -11.359 13.259 45.001 1.00 6.11 C ATOM 182 CG HIS A 25 -12.632 12.777 44.377 1.00 4.88 C ATOM 183 ND1 HIS A 25 -13.543 13.634 43.794 1.00 2.10 N ATOM 184 CD2 HIS A 25 -13.185 11.544 44.318 1.00 3.62 C ATOM 185 CE1 HIS A 25 -14.612 12.948 43.418 1.00 7.31 C ATOM 186 NE2 HIS A 25 -14.415 11.679 43.728 1.00 4.83 N ATOM 0 H HIS A 25 -8.988 13.272 43.962 1.00 8.13 H new ATOM 0 HA HIS A 25 -11.273 14.702 43.555 1.00 7.60 H new ATOM 0 HB2 HIS A 25 -10.763 12.504 45.123 1.00 6.11 H new ATOM 0 HB3 HIS A 25 -11.555 13.611 45.883 1.00 6.11 H new ATOM 0 HD2 HIS A 25 -12.802 10.752 44.621 1.00 3.62 H new ATOM 0 HE1 HIS A 25 -15.369 13.299 43.007 1.00 7.31 H new ATOM 0 HE2 HIS A 25 -14.971 11.039 43.583 1.00 4.83 H new ATOM 187 N TYR A 26 -10.739 16.599 45.078 1.00 7.14 N ATOM 188 CA TYR A 26 -10.332 17.684 45.965 1.00 5.88 C ATOM 189 C TYR A 26 -11.488 18.355 46.694 1.00 3.69 C ATOM 190 O TYR A 26 -12.624 18.363 46.218 1.00 4.92 O ATOM 191 CB TYR A 26 -9.527 18.742 45.200 1.00 3.82 C ATOM 192 CG TYR A 26 -10.361 19.634 44.308 1.00 5.54 C ATOM 193 CD1 TYR A 26 -10.948 20.806 44.800 1.00 5.09 C ATOM 194 CD2 TYR A 26 -10.631 19.270 42.993 1.00 8.49 C ATOM 195 CE1 TYR A 26 -11.790 21.575 44.005 1.00 2.31 C ATOM 196 CE2 TYR A 26 -11.469 20.033 42.192 1.00 5.94 C ATOM 197 CZ TYR A 26 -12.047 21.176 42.703 1.00 6.07 C ATOM 198 OH TYR A 26 -12.900 21.896 41.904 1.00 10.59 O ATOM 0 H TYR A 26 -11.394 16.786 44.552 1.00 7.14 H new ATOM 0 HA TYR A 26 -9.778 17.266 46.643 1.00 5.88 H new ATOM 0 HB2 TYR A 26 -9.051 19.295 45.839 1.00 3.82 H new ATOM 0 HB3 TYR A 26 -8.858 18.295 44.658 1.00 3.82 H new ATOM 0 HD1 TYR A 26 -10.772 21.074 45.673 1.00 5.09 H new ATOM 0 HD2 TYR A 26 -10.243 18.501 42.644 1.00 8.49 H new ATOM 0 HE1 TYR A 26 -12.177 22.350 44.344 1.00 2.31 H new ATOM 0 HE2 TYR A 26 -11.640 19.775 41.315 1.00 5.94 H new ATOM 0 HH TYR A 26 -12.877 22.706 42.127 1.00 10.59 H new ATOM 199 N THR A 27 -11.187 18.840 47.892 1.00 8.16 N ATOM 200 CA THR A 27 -12.035 19.781 48.623 1.00 5.03 C ATOM 201 C THR A 27 -11.157 20.958 49.038 1.00 5.91 C ATOM 202 O THR A 27 -10.094 20.762 49.631 1.00 4.78 O ATOM 203 CB THR A 27 -12.614 19.139 49.892 1.00 6.80 C ATOM 204 OG1 THR A 27 -13.420 18.011 49.528 1.00 9.37 O ATOM 205 CG2 THR A 27 -13.468 20.144 50.662 1.00 8.86 C ATOM 0 H THR A 27 -10.468 18.628 48.314 1.00 8.16 H new ATOM 0 HA THR A 27 -12.772 20.056 48.056 1.00 5.03 H new ATOM 0 HB THR A 27 -11.881 18.854 50.460 1.00 6.80 H new ATOM 0 HG1 THR A 27 -13.737 17.657 50.221 1.00 9.37 H new ATOM 0 HG21 THR A 27 -13.825 19.722 51.459 1.00 8.86 H new ATOM 0 HG22 THR A 27 -12.923 20.905 50.916 1.00 8.86 H new ATOM 0 HG23 THR A 27 -14.200 20.444 50.101 1.00 8.86 H new ATOM 206 N GLY A 28 -11.489 22.138 48.531 1.00 3.47 N ATOM 207 CA GLY A 28 -10.742 23.331 48.875 1.00 4.80 C ATOM 208 C GLY A 28 -11.408 24.194 49.932 1.00 5.31 C ATOM 209 O GLY A 28 -12.626 24.356 49.944 1.00 5.12 O ATOM 0 H GLY A 28 -12.143 22.266 47.987 1.00 3.47 H new ATOM 0 HA2 GLY A 28 -9.862 23.071 49.190 1.00 4.80 H new ATOM 0 HA3 GLY A 28 -10.611 23.861 48.074 1.00 4.80 H new ATOM 210 N MET A 29 -10.592 24.772 50.810 1.00 9.55 N ATOM 211 CA MET A 29 -11.098 25.648 51.862 1.00 11.11 C ATOM 212 C MET A 29 -10.116 26.750 52.250 1.00 8.19 C ATOM 213 O MET A 29 -8.917 26.651 52.007 1.00 6.96 O ATOM 214 CB MET A 29 -11.481 24.826 53.100 1.00 14.06 C ATOM 215 CG MET A 29 -10.492 23.743 53.489 1.00 17.93 C ATOM 216 SD MET A 29 -11.308 22.300 54.215 1.00 18.39 S ATOM 217 CE MET A 29 -10.346 20.989 53.455 1.00 20.02 C ATOM 0 H MET A 29 -9.738 24.669 50.813 1.00 9.55 H new ATOM 0 HA MET A 29 -11.884 26.087 51.501 1.00 11.11 H new ATOM 0 HB2 MET A 29 -11.589 25.430 53.851 1.00 14.06 H new ATOM 0 HB3 MET A 29 -12.345 24.413 52.942 1.00 14.06 H new ATOM 0 HG2 MET A 29 -9.991 23.469 52.705 1.00 17.93 H new ATOM 0 HG3 MET A 29 -9.853 24.104 54.123 1.00 17.93 H new ATOM 0 HE1 MET A 29 -10.676 20.128 53.757 1.00 20.02 H new ATOM 0 HE2 MET A 29 -10.428 21.045 52.490 1.00 20.02 H new ATOM 0 HE3 MET A 29 -9.414 21.084 53.706 1.00 20.02 H new ATOM 218 N LEU A 30 -10.650 27.861 52.735 1.00 9.98 N ATOM 219 CA LEU A 30 -9.817 28.912 53.308 1.00 8.59 C ATOM 220 C LEU A 30 -9.194 28.382 54.604 1.00 10.95 C ATOM 221 O LEU A 30 -9.644 27.366 55.141 1.00 11.48 O ATOM 222 CB LEU A 30 -10.663 30.160 53.575 1.00 7.52 C ATOM 223 CG LEU A 30 -11.509 30.626 52.381 1.00 8.64 C ATOM 224 CD1 LEU A 30 -12.456 31.720 52.820 1.00 10.36 C ATOM 225 CD2 LEU A 30 -10.614 31.113 51.252 1.00 3.88 C ATOM 0 H LEU A 30 -11.494 28.028 52.743 1.00 9.98 H new ATOM 0 HA LEU A 30 -9.111 29.160 52.691 1.00 8.59 H new ATOM 0 HB2 LEU A 30 -11.253 29.982 54.324 1.00 7.52 H new ATOM 0 HB3 LEU A 30 -10.075 30.884 53.842 1.00 7.52 H new ATOM 0 HG LEU A 30 -12.029 29.876 52.051 1.00 8.64 H new ATOM 0 HD11 LEU A 30 -12.988 32.011 52.063 1.00 10.36 H new ATOM 0 HD12 LEU A 30 -13.042 31.382 53.515 1.00 10.36 H new ATOM 0 HD13 LEU A 30 -11.947 32.470 53.164 1.00 10.36 H new ATOM 0 HD21 LEU A 30 -11.162 31.403 50.506 1.00 3.88 H new ATOM 0 HD22 LEU A 30 -10.074 31.856 51.564 1.00 3.88 H new ATOM 0 HD23 LEU A 30 -10.034 30.391 50.964 1.00 3.88 H new ATOM 226 N GLU A 31 -8.128 29.021 55.077 1.00 9.02 N ATOM 227 CA GLU A 31 -7.332 28.438 56.154 1.00 10.02 C ATOM 228 C GLU A 31 -8.112 28.243 57.454 1.00 9.20 C ATOM 229 O GLU A 31 -7.724 27.444 58.305 1.00 11.04 O ATOM 230 CB GLU A 31 -6.085 29.280 56.411 1.00 13.82 C ATOM 231 CG GLU A 31 -6.331 30.546 57.205 1.00 17.22 C ATOM 232 CD GLU A 31 -5.090 31.402 57.315 1.00 15.17 C ATOM 233 OE1 GLU A 31 -4.036 30.873 57.728 1.00 15.16 O ATOM 234 OE2 GLU A 31 -5.162 32.595 56.955 1.00 18.31 O ATOM 0 H GLU A 31 -7.851 29.784 54.793 1.00 9.02 H new ATOM 0 HA GLU A 31 -7.076 27.553 55.851 1.00 10.02 H new ATOM 0 HB2 GLU A 31 -5.435 28.737 56.884 1.00 13.82 H new ATOM 0 HB3 GLU A 31 -5.689 29.519 55.558 1.00 13.82 H new ATOM 0 HG2 GLU A 31 -7.039 31.058 56.783 1.00 17.22 H new ATOM 0 HG3 GLU A 31 -6.641 30.313 58.094 1.00 17.22 H new ATOM 235 N ASP A 32 -9.257 28.909 57.565 1.00 9.00 N ATOM 236 CA ASP A 32 -10.140 28.724 58.711 1.00 9.63 C ATOM 237 C ASP A 32 -11.147 27.581 58.536 1.00 12.55 C ATOM 238 O ASP A 32 -12.051 27.417 59.356 1.00 15.70 O ATOM 239 CB ASP A 32 -10.875 30.031 59.023 1.00 11.93 C ATOM 240 CG ASP A 32 -11.915 30.390 57.975 1.00 15.18 C ATOM 241 OD1 ASP A 32 -11.695 30.124 56.775 1.00 20.31 O ATOM 242 OD2 ASP A 32 -12.949 30.972 58.354 1.00 17.35 O ATOM 0 H ASP A 32 -9.542 29.476 56.984 1.00 9.00 H new ATOM 0 HA ASP A 32 -9.572 28.473 59.456 1.00 9.63 H new ATOM 0 HB2 ASP A 32 -11.307 29.955 59.888 1.00 11.93 H new ATOM 0 HB3 ASP A 32 -10.229 30.752 59.091 1.00 11.93 H new ATOM 243 N GLY A 33 -11.017 26.825 57.448 1.00 10.91 N ATOM 244 CA GLY A 33 -11.875 25.673 57.224 1.00 7.56 C ATOM 245 C GLY A 33 -13.143 25.919 56.430 1.00 6.27 C ATOM 246 O GLY A 33 -13.932 25.001 56.218 1.00 6.42 O ATOM 0 H GLY A 33 -10.437 26.965 56.829 1.00 10.91 H new ATOM 0 HA2 GLY A 33 -11.357 24.993 56.766 1.00 7.56 H new ATOM 0 HA3 GLY A 33 -12.123 25.307 58.087 1.00 7.56 H new ATOM 247 N LYS A 34 -13.384 27.162 56.037 1.00 8.61 N ATOM 248 CA LYS A 34 -14.520 27.476 55.167 1.00 11.86 C ATOM 249 C LYS A 34 -14.341 26.888 53.765 1.00 9.63 C ATOM 250 O LYS A 34 -13.425 27.269 53.039 1.00 13.41 O ATOM 251 CB LYS A 34 -14.708 28.988 55.058 1.00 14.75 C ATOM 252 CG LYS A 34 -15.588 29.595 56.141 1.00 25.18 C ATOM 253 CD LYS A 34 -15.965 31.037 55.805 1.00 31.00 C ATOM 254 CE LYS A 34 -14.737 31.943 55.763 1.00 36.11 C ATOM 255 NZ LYS A 34 -15.075 33.338 55.363 1.00 39.95 N ATOM 0 H LYS A 34 -12.905 27.841 56.260 1.00 8.61 H new ATOM 0 HA LYS A 34 -15.307 27.076 55.569 1.00 11.86 H new ATOM 0 HB2 LYS A 34 -13.837 29.414 55.089 1.00 14.75 H new ATOM 0 HB3 LYS A 34 -15.093 29.193 54.192 1.00 14.75 H new ATOM 0 HG2 LYS A 34 -16.393 29.063 56.243 1.00 25.18 H new ATOM 0 HG3 LYS A 34 -15.122 29.570 56.991 1.00 25.18 H new ATOM 0 HD2 LYS A 34 -16.417 31.063 54.947 1.00 31.00 H new ATOM 0 HD3 LYS A 34 -16.592 31.371 56.466 1.00 31.00 H new ATOM 0 HE2 LYS A 34 -14.315 31.953 56.636 1.00 36.11 H new ATOM 0 HE3 LYS A 34 -14.090 31.578 55.139 1.00 36.11 H new ATOM 0 HZ1 LYS A 34 -14.334 33.831 55.351 1.00 39.95 H new ATOM 0 HZ2 LYS A 34 -15.442 33.334 54.552 1.00 39.95 H new ATOM 0 HZ3 LYS A 34 -15.651 33.683 55.947 1.00 39.95 H new ATOM 256 N LYS A 35 -15.214 25.961 53.390 1.00 8.11 N ATOM 257 CA LYS A 35 -15.133 25.303 52.090 1.00 7.93 C ATOM 258 C LYS A 35 -15.630 26.200 50.955 1.00 7.40 C ATOM 259 O LYS A 35 -16.697 26.808 51.062 1.00 6.90 O ATOM 260 CB LYS A 35 -15.940 24.001 52.115 1.00 7.74 C ATOM 261 CG LYS A 35 -16.047 23.299 50.768 1.00 4.63 C ATOM 262 CD LYS A 35 -16.693 21.929 50.897 1.00 10.29 C ATOM 263 CE LYS A 35 -18.197 22.031 51.028 1.00 10.51 C ATOM 264 NZ LYS A 35 -18.810 20.682 51.114 1.00 12.65 N ATOM 0 H LYS A 35 -15.869 25.695 53.880 1.00 8.11 H new ATOM 0 HA LYS A 35 -14.198 25.110 51.920 1.00 7.93 H new ATOM 0 HB2 LYS A 35 -15.533 23.393 52.752 1.00 7.74 H new ATOM 0 HB3 LYS A 35 -16.834 24.194 52.438 1.00 7.74 H new ATOM 0 HG2 LYS A 35 -16.567 23.846 50.158 1.00 4.63 H new ATOM 0 HG3 LYS A 35 -15.163 23.205 50.381 1.00 4.63 H new ATOM 0 HD2 LYS A 35 -16.471 21.392 50.121 1.00 10.29 H new ATOM 0 HD3 LYS A 35 -16.331 21.471 51.672 1.00 10.29 H new ATOM 0 HE2 LYS A 35 -18.423 22.545 51.819 1.00 10.51 H new ATOM 0 HE3 LYS A 35 -18.561 22.508 50.266 1.00 10.51 H new ATOM 0 HZ1 LYS A 35 -19.522 20.713 51.648 1.00 12.65 H new ATOM 0 HZ2 LYS A 35 -19.060 20.417 50.302 1.00 12.65 H new ATOM 0 HZ3 LYS A 35 -18.217 20.107 51.444 1.00 12.65 H new ATOM 265 N PHE A 36 -14.862 26.279 49.869 1.00 7.44 N ATOM 266 CA PHE A 36 -15.295 27.015 48.675 1.00 7.54 C ATOM 267 C PHE A 36 -15.560 26.148 47.436 1.00 7.64 C ATOM 268 O PHE A 36 -16.286 26.560 46.534 1.00 11.00 O ATOM 269 CB PHE A 36 -14.302 28.148 48.330 1.00 2.93 C ATOM 270 CG PHE A 36 -12.878 27.690 48.113 1.00 4.59 C ATOM 271 CD1 PHE A 36 -12.502 27.063 46.928 1.00 7.65 C ATOM 272 CD2 PHE A 36 -11.899 27.946 49.069 1.00 2.74 C ATOM 273 CE1 PHE A 36 -11.176 26.698 46.701 1.00 4.01 C ATOM 274 CE2 PHE A 36 -10.571 27.592 48.851 1.00 2.00 C ATOM 275 CZ PHE A 36 -10.208 26.965 47.665 1.00 7.28 C ATOM 0 H PHE A 36 -14.086 25.914 49.801 1.00 7.44 H new ATOM 0 HA PHE A 36 -16.156 27.390 48.919 1.00 7.54 H new ATOM 0 HB2 PHE A 36 -14.610 28.600 47.529 1.00 2.93 H new ATOM 0 HB3 PHE A 36 -14.314 28.802 49.046 1.00 2.93 H new ATOM 0 HD1 PHE A 36 -13.144 26.885 46.279 1.00 7.65 H new ATOM 0 HD2 PHE A 36 -12.137 28.361 49.867 1.00 2.74 H new ATOM 0 HE1 PHE A 36 -10.938 26.277 45.907 1.00 4.01 H new ATOM 0 HE2 PHE A 36 -9.928 27.775 49.497 1.00 2.00 H new ATOM 0 HZ PHE A 36 -9.322 26.725 47.516 1.00 7.28 H new ATOM 276 N ASP A 37 -15.002 24.939 47.403 1.00 6.86 N ATOM 277 CA ASP A 37 -15.184 24.040 46.259 1.00 2.00 C ATOM 278 C ASP A 37 -14.822 22.610 46.624 1.00 3.02 C ATOM 279 O ASP A 37 -13.847 22.379 47.329 1.00 6.73 O ATOM 280 CB ASP A 37 -14.302 24.494 45.088 1.00 3.72 C ATOM 281 CG ASP A 37 -14.674 23.829 43.759 1.00 6.42 C ATOM 282 OD1 ASP A 37 -15.707 23.129 43.668 1.00 5.75 O ATOM 283 OD2 ASP A 37 -13.943 24.053 42.776 1.00 5.83 O ATOM 0 H ASP A 37 -14.513 24.618 48.033 1.00 6.86 H new ATOM 0 HA ASP A 37 -16.119 24.072 46.002 1.00 2.00 H new ATOM 0 HB2 ASP A 37 -14.372 25.457 44.992 1.00 3.72 H new ATOM 0 HB3 ASP A 37 -13.375 24.296 45.293 1.00 3.72 H new ATOM 284 N SER A 38 -15.583 21.644 46.124 1.00 2.00 N ATOM 285 CA SER A 38 -15.237 20.236 46.305 1.00 2.00 C ATOM 286 C SER A 38 -15.726 19.376 45.151 1.00 2.00 C ATOM 287 O SER A 38 -16.913 19.352 44.849 1.00 2.09 O ATOM 288 CB SER A 38 -15.829 19.698 47.610 1.00 2.56 C ATOM 289 OG SER A 38 -15.649 18.294 47.706 1.00 2.00 O ATOM 0 H SER A 38 -16.304 21.781 45.676 1.00 2.00 H new ATOM 0 HA SER A 38 -14.269 20.189 46.336 1.00 2.00 H new ATOM 0 HB2 SER A 38 -15.406 20.135 48.366 1.00 2.56 H new ATOM 0 HB3 SER A 38 -16.775 19.910 47.653 1.00 2.56 H new ATOM 0 HG SER A 38 -15.018 18.128 48.235 1.00 2.00 H new ATOM 290 N SER A 39 -14.824 18.605 44.560 1.00 2.00 N ATOM 291 CA SER A 39 -15.207 17.673 43.500 1.00 5.57 C ATOM 292 C SER A 39 -16.057 16.514 44.041 1.00 7.69 C ATOM 293 O SER A 39 -16.795 15.864 43.294 1.00 6.78 O ATOM 294 CB SER A 39 -13.967 17.111 42.818 1.00 2.00 C ATOM 295 OG SER A 39 -13.201 16.367 43.748 1.00 5.37 O ATOM 0 H SER A 39 -13.986 18.603 44.755 1.00 2.00 H new ATOM 0 HA SER A 39 -15.740 18.169 42.859 1.00 5.57 H new ATOM 0 HB2 SER A 39 -14.226 16.545 42.074 1.00 2.00 H new ATOM 0 HB3 SER A 39 -13.434 17.834 42.452 1.00 2.00 H new ATOM 0 HG SER A 39 -13.356 15.548 43.647 1.00 5.37 H new ATOM 296 N ARG A 40 -15.921 16.234 45.335 1.00 8.63 N ATOM 297 CA ARG A 40 -16.670 15.150 45.962 1.00 7.57 C ATOM 298 C ARG A 40 -18.156 15.500 46.106 1.00 8.09 C ATOM 299 O ARG A 40 -19.020 14.647 45.916 1.00 9.78 O ATOM 300 CB ARG A 40 -16.064 14.807 47.324 1.00 7.20 C ATOM 301 CG ARG A 40 -14.601 14.370 47.257 1.00 9.74 C ATOM 302 CD ARG A 40 -14.161 13.686 48.544 1.00 12.85 C ATOM 303 NE ARG A 40 -12.709 13.513 48.621 1.00 18.64 N ATOM 304 CZ ARG A 40 -12.089 12.341 48.513 1.00 16.05 C ATOM 305 NH1 ARG A 40 -12.778 11.246 48.230 1.00 19.28 N ATOM 306 NH2 ARG A 40 -10.771 12.269 48.629 1.00 17.10 N ATOM 0 H ARG A 40 -15.399 16.661 45.868 1.00 8.63 H new ATOM 0 HA ARG A 40 -16.608 14.373 45.385 1.00 7.57 H new ATOM 0 HB2 ARG A 40 -16.135 15.581 47.904 1.00 7.20 H new ATOM 0 HB3 ARG A 40 -16.586 14.098 47.731 1.00 7.20 H new ATOM 0 HG2 ARG A 40 -14.477 13.765 46.509 1.00 9.74 H new ATOM 0 HG3 ARG A 40 -14.039 15.143 47.092 1.00 9.74 H new ATOM 0 HD2 ARG A 40 -14.462 14.209 49.304 1.00 12.85 H new ATOM 0 HD3 ARG A 40 -14.591 12.819 48.609 1.00 12.85 H new ATOM 0 HE ARG A 40 -12.226 14.214 48.744 1.00 18.64 H new ATOM 0 HH11 ARG A 40 -13.629 11.291 48.115 1.00 19.28 H new ATOM 0 HH12 ARG A 40 -12.374 10.490 48.161 1.00 19.28 H new ATOM 0 HH21 ARG A 40 -10.313 12.982 48.775 1.00 17.10 H new ATOM 0 HH22 ARG A 40 -10.374 11.509 48.559 1.00 17.10 H new ATOM 307 N ASP A 41 -18.444 16.782 46.313 1.00 8.50 N ATOM 308 CA ASP A 41 -19.822 17.283 46.281 1.00 8.39 C ATOM 309 C ASP A 41 -20.498 17.073 44.923 1.00 7.90 C ATOM 310 O ASP A 41 -21.722 17.042 44.833 1.00 9.28 O ATOM 311 CB ASP A 41 -19.850 18.775 46.629 1.00 7.39 C ATOM 312 CG ASP A 41 -19.572 19.053 48.099 1.00 12.81 C ATOM 313 OD1 ASP A 41 -19.622 18.117 48.928 1.00 15.54 O ATOM 314 OD2 ASP A 41 -19.344 20.235 48.434 1.00 15.41 O ATOM 0 H ASP A 41 -17.853 17.385 46.475 1.00 8.50 H new ATOM 0 HA ASP A 41 -20.318 16.772 46.940 1.00 8.39 H new ATOM 0 HB2 ASP A 41 -19.192 19.240 46.088 1.00 7.39 H new ATOM 0 HB3 ASP A 41 -20.718 19.139 46.395 1.00 7.39 H new ATOM 315 N ARG A 42 -19.693 16.938 43.872 1.00 8.48 N ATOM 316 CA ARG A 42 -20.197 16.707 42.519 1.00 10.26 C ATOM 317 C ARG A 42 -20.098 15.241 42.082 1.00 12.78 C ATOM 318 O ARG A 42 -20.485 14.897 40.968 1.00 16.32 O ATOM 319 CB ARG A 42 -19.427 17.568 41.517 1.00 10.68 C ATOM 320 CG ARG A 42 -19.570 19.056 41.723 1.00 15.56 C ATOM 321 CD ARG A 42 -18.948 19.813 40.566 1.00 21.22 C ATOM 322 NE ARG A 42 -17.502 19.615 40.476 1.00 22.13 N ATOM 323 CZ ARG A 42 -16.603 20.357 41.116 1.00 23.90 C ATOM 324 NH1 ARG A 42 -16.998 21.307 41.954 1.00 25.33 N ATOM 325 NH2 ARG A 42 -15.306 20.140 40.931 1.00 22.26 N ATOM 0 H ARG A 42 -18.835 16.978 43.923 1.00 8.48 H new ATOM 0 HA ARG A 42 -21.136 16.949 42.534 1.00 10.26 H new ATOM 0 HB2 ARG A 42 -18.486 17.336 41.566 1.00 10.68 H new ATOM 0 HB3 ARG A 42 -19.728 17.347 40.622 1.00 10.68 H new ATOM 0 HG2 ARG A 42 -20.508 19.289 41.802 1.00 15.56 H new ATOM 0 HG3 ARG A 42 -19.142 19.316 42.554 1.00 15.56 H new ATOM 0 HD2 ARG A 42 -19.362 19.527 39.737 1.00 21.22 H new ATOM 0 HD3 ARG A 42 -19.136 20.759 40.665 1.00 21.22 H new ATOM 0 HE ARG A 42 -17.214 18.977 39.976 1.00 22.13 H new ATOM 0 HH11 ARG A 42 -17.837 21.444 42.084 1.00 25.33 H new ATOM 0 HH12 ARG A 42 -16.415 21.786 42.367 1.00 25.33 H new ATOM 0 HH21 ARG A 42 -15.046 19.519 40.396 1.00 22.26 H new ATOM 0 HH22 ARG A 42 -14.726 20.621 41.346 1.00 22.26 H new ATOM 326 N ASN A 43 -19.442 14.417 42.894 1.00 11.69 N ATOM 327 CA ASN A 43 -19.255 12.995 42.591 1.00 15.02 C ATOM 328 C ASN A 43 -18.408 12.697 41.355 1.00 17.05 C ATOM 329 O ASN A 43 -18.237 11.532 40.991 1.00 18.89 O ATOM 330 CB ASN A 43 -20.606 12.285 42.450 1.00 16.61 C ATOM 331 CG ASN A 43 -21.460 12.417 43.681 1.00 18.62 C ATOM 332 OD1 ASN A 43 -21.036 12.077 44.788 1.00 18.06 O ATOM 333 ND2 ASN A 43 -22.634 12.995 43.517 1.00 17.74 N ATOM 0 H ASN A 43 -19.091 14.665 43.639 1.00 11.69 H new ATOM 0 HA ASN A 43 -18.758 12.654 43.351 1.00 15.02 H new ATOM 0 HB2 ASN A 43 -21.083 12.652 41.689 1.00 16.61 H new ATOM 0 HB3 ASN A 43 -20.456 11.345 42.264 1.00 16.61 H new ATOM 0 HD21 ASN A 43 -23.137 13.148 44.198 1.00 17.74 H new ATOM 0 HD22 ASN A 43 -22.897 13.219 42.729 1.00 17.74 H new ATOM 334 N LYS A 44 -17.821 13.722 40.745 1.00 16.77 N ATOM 335 CA LYS A 44 -16.951 13.493 39.592 1.00 15.73 C ATOM 336 C LYS A 44 -15.546 14.069 39.737 1.00 12.51 C ATOM 337 O LYS A 44 -15.371 15.176 40.243 1.00 10.56 O ATOM 338 CB LYS A 44 -17.606 14.008 38.305 1.00 19.31 C ATOM 339 CG LYS A 44 -17.854 15.496 38.243 1.00 19.04 C ATOM 340 CD LYS A 44 -18.127 15.917 36.802 1.00 27.82 C ATOM 341 CE LYS A 44 -19.128 17.064 36.724 1.00 32.35 C ATOM 342 NZ LYS A 44 -20.542 16.590 36.811 1.00 34.86 N ATOM 0 H LYS A 44 -17.910 14.545 40.977 1.00 16.77 H new ATOM 0 HA LYS A 44 -16.839 12.531 39.543 1.00 15.73 H new ATOM 0 HB2 LYS A 44 -17.044 13.759 37.554 1.00 19.31 H new ATOM 0 HB3 LYS A 44 -18.454 13.551 38.188 1.00 19.31 H new ATOM 0 HG2 LYS A 44 -18.609 15.730 38.805 1.00 19.04 H new ATOM 0 HG3 LYS A 44 -17.084 15.975 38.588 1.00 19.04 H new ATOM 0 HD2 LYS A 44 -17.295 16.185 36.381 1.00 27.82 H new ATOM 0 HD3 LYS A 44 -18.466 15.158 36.302 1.00 27.82 H new ATOM 0 HE2 LYS A 44 -18.955 17.691 37.443 1.00 32.35 H new ATOM 0 HE3 LYS A 44 -19.001 17.545 35.891 1.00 32.35 H new ATOM 0 HZ1 LYS A 44 -21.093 17.287 36.762 1.00 34.86 H new ATOM 0 HZ2 LYS A 44 -20.710 16.032 36.139 1.00 34.86 H new ATOM 0 HZ3 LYS A 44 -20.667 16.168 37.585 1.00 34.86 H new ATOM 343 N PRO A 45 -14.522 13.241 39.476 1.00 10.19 N ATOM 344 CA PRO A 45 -13.122 13.622 39.693 1.00 7.82 C ATOM 345 C PRO A 45 -12.685 14.796 38.823 1.00 7.67 C ATOM 346 O PRO A 45 -13.296 15.087 37.795 1.00 4.21 O ATOM 347 CB PRO A 45 -12.345 12.348 39.347 1.00 4.75 C ATOM 348 CG PRO A 45 -13.348 11.248 39.444 1.00 3.40 C ATOM 349 CD PRO A 45 -14.632 11.859 38.982 1.00 8.89 C ATOM 0 HA PRO A 45 -12.968 13.931 40.600 1.00 7.82 H new ATOM 0 HB2 PRO A 45 -11.965 12.399 38.456 1.00 4.75 H new ATOM 0 HB3 PRO A 45 -11.608 12.207 39.962 1.00 4.75 H new ATOM 0 HG2 PRO A 45 -13.097 10.493 38.888 1.00 3.40 H new ATOM 0 HG3 PRO A 45 -13.422 10.919 40.353 1.00 3.40 H new ATOM 0 HD2 PRO A 45 -14.721 11.826 38.017 1.00 8.89 H new ATOM 0 HD3 PRO A 45 -15.403 11.403 39.353 1.00 8.89 H new ATOM 350 N PHE A 46 -11.581 15.420 39.216 1.00 6.96 N ATOM 351 CA PHE A 46 -11.016 16.543 38.485 1.00 7.96 C ATOM 352 C PHE A 46 -9.760 16.076 37.746 1.00 9.34 C ATOM 353 O PHE A 46 -8.951 15.318 38.288 1.00 8.11 O ATOM 354 CB PHE A 46 -10.679 17.681 39.462 1.00 2.62 C ATOM 355 CG PHE A 46 -10.032 18.873 38.813 1.00 4.45 C ATOM 356 CD1 PHE A 46 -10.790 19.776 38.078 1.00 2.79 C ATOM 357 CD2 PHE A 46 -8.659 19.085 38.927 1.00 2.40 C ATOM 358 CE1 PHE A 46 -10.188 20.871 37.465 1.00 7.03 C ATOM 359 CE2 PHE A 46 -8.056 20.172 38.318 1.00 2.07 C ATOM 360 CZ PHE A 46 -8.820 21.067 37.586 1.00 2.66 C ATOM 0 H PHE A 46 -11.137 15.201 39.919 1.00 6.96 H new ATOM 0 HA PHE A 46 -11.658 16.875 37.839 1.00 7.96 H new ATOM 0 HB2 PHE A 46 -11.494 17.967 39.904 1.00 2.62 H new ATOM 0 HB3 PHE A 46 -10.088 17.339 40.151 1.00 2.62 H new ATOM 0 HD1 PHE A 46 -11.707 19.648 37.995 1.00 2.79 H new ATOM 0 HD2 PHE A 46 -8.142 18.489 39.418 1.00 2.40 H new ATOM 0 HE1 PHE A 46 -10.702 21.471 36.975 1.00 7.03 H new ATOM 0 HE2 PHE A 46 -7.139 20.302 38.400 1.00 2.07 H new ATOM 0 HZ PHE A 46 -8.416 21.798 37.177 1.00 2.66 H new ATOM 361 N LYS A 47 -9.675 16.419 36.466 1.00 11.49 N ATOM 362 CA LYS A 47 -8.491 16.100 35.674 1.00 8.56 C ATOM 363 C LYS A 47 -7.774 17.359 35.225 1.00 8.18 C ATOM 364 O LYS A 47 -8.402 18.381 34.952 1.00 11.95 O ATOM 365 CB LYS A 47 -8.873 15.275 34.448 1.00 11.52 C ATOM 366 CG LYS A 47 -9.786 14.111 34.754 1.00 14.35 C ATOM 367 CD LYS A 47 -9.806 13.118 33.612 1.00 12.64 C ATOM 368 CE LYS A 47 -10.957 12.133 33.764 1.00 18.69 C ATOM 369 NZ LYS A 47 -11.089 11.602 35.152 1.00 23.34 N ATOM 0 H LYS A 47 -10.291 16.837 36.036 1.00 11.49 H new ATOM 0 HA LYS A 47 -7.894 15.585 36.239 1.00 8.56 H new ATOM 0 HB2 LYS A 47 -9.307 15.854 33.802 1.00 11.52 H new ATOM 0 HB3 LYS A 47 -8.065 14.939 34.030 1.00 11.52 H new ATOM 0 HG2 LYS A 47 -9.490 13.669 35.565 1.00 14.35 H new ATOM 0 HG3 LYS A 47 -10.685 14.436 34.919 1.00 14.35 H new ATOM 0 HD2 LYS A 47 -9.890 13.591 32.769 1.00 12.64 H new ATOM 0 HD3 LYS A 47 -8.965 12.636 33.584 1.00 12.64 H new ATOM 0 HE2 LYS A 47 -11.785 12.569 33.510 1.00 18.69 H new ATOM 0 HE3 LYS A 47 -10.826 11.393 33.151 1.00 18.69 H new ATOM 0 HZ1 LYS A 47 -11.684 10.940 35.162 1.00 23.34 H new ATOM 0 HZ2 LYS A 47 -10.301 11.296 35.429 1.00 23.34 H new ATOM 0 HZ3 LYS A 47 -11.362 12.253 35.694 1.00 23.34 H new ATOM 370 N PHE A 48 -6.450 17.301 35.237 1.00 9.62 N ATOM 371 CA PHE A 48 -5.609 18.356 34.689 1.00 10.04 C ATOM 372 C PHE A 48 -4.265 17.752 34.291 1.00 13.15 C ATOM 373 O PHE A 48 -3.838 16.743 34.852 1.00 11.27 O ATOM 374 CB PHE A 48 -5.411 19.491 35.712 1.00 8.78 C ATOM 375 CG PHE A 48 -4.506 19.135 36.860 1.00 5.91 C ATOM 376 CD1 PHE A 48 -4.975 18.368 37.921 1.00 7.90 C ATOM 377 CD2 PHE A 48 -3.176 19.535 36.865 1.00 5.24 C ATOM 378 CE1 PHE A 48 -4.126 17.999 38.966 1.00 4.08 C ATOM 379 CE2 PHE A 48 -2.324 19.172 37.900 1.00 4.47 C ATOM 380 CZ PHE A 48 -2.799 18.400 38.953 1.00 2.00 C ATOM 0 H PHE A 48 -6.009 16.641 35.567 1.00 9.62 H new ATOM 0 HA PHE A 48 -6.041 18.740 33.910 1.00 10.04 H new ATOM 0 HB2 PHE A 48 -5.047 20.265 35.255 1.00 8.78 H new ATOM 0 HB3 PHE A 48 -6.277 19.750 36.064 1.00 8.78 H new ATOM 0 HD1 PHE A 48 -5.865 18.098 37.935 1.00 7.90 H new ATOM 0 HD2 PHE A 48 -2.851 20.054 36.165 1.00 5.24 H new ATOM 0 HE1 PHE A 48 -4.450 17.485 39.670 1.00 4.08 H new ATOM 0 HE2 PHE A 48 -1.435 19.446 37.888 1.00 4.47 H new ATOM 0 HZ PHE A 48 -2.230 18.153 39.646 1.00 2.00 H new ATOM 381 N MET A 49 -3.662 18.301 33.246 1.00 13.61 N ATOM 382 CA MET A 49 -2.381 17.797 32.777 1.00 16.81 C ATOM 383 C MET A 49 -1.241 18.492 33.509 1.00 19.23 C ATOM 384 O MET A 49 -1.148 19.721 33.504 1.00 20.87 O ATOM 385 CB MET A 49 -2.252 18.031 31.273 1.00 22.02 C ATOM 386 CG MET A 49 -1.223 17.149 30.604 1.00 25.86 C ATOM 387 SD MET A 49 -0.967 17.620 28.897 1.00 29.06 S ATOM 388 CE MET A 49 -2.476 17.026 28.158 1.00 20.18 C ATOM 0 H MET A 49 -3.976 18.963 32.796 1.00 13.61 H new ATOM 0 HA MET A 49 -2.334 16.845 32.958 1.00 16.81 H new ATOM 0 HB2 MET A 49 -3.115 17.881 30.856 1.00 22.02 H new ATOM 0 HB3 MET A 49 -2.020 18.960 31.118 1.00 22.02 H new ATOM 0 HG2 MET A 49 -0.383 17.206 31.086 1.00 25.86 H new ATOM 0 HG3 MET A 49 -1.512 16.224 30.646 1.00 25.86 H new ATOM 0 HE1 MET A 49 -2.393 17.047 27.192 1.00 20.18 H new ATOM 0 HE2 MET A 49 -2.642 16.116 28.449 1.00 20.18 H new ATOM 0 HE3 MET A 49 -3.215 17.592 28.431 1.00 20.18 H new ATOM 389 N LEU A 50 -0.351 17.707 34.103 1.00 21.02 N ATOM 390 CA LEU A 50 0.733 18.255 34.915 1.00 22.82 C ATOM 391 C LEU A 50 1.753 19.077 34.112 1.00 25.16 C ATOM 392 O LEU A 50 2.131 18.713 32.998 1.00 26.20 O ATOM 393 CB LEU A 50 1.454 17.127 35.658 1.00 24.10 C ATOM 394 CG LEU A 50 2.412 17.569 36.767 1.00 23.27 C ATOM 395 CD1 LEU A 50 1.650 17.704 38.078 1.00 21.40 C ATOM 396 CD2 LEU A 50 3.539 16.564 36.903 1.00 25.22 C ATOM 0 H LEU A 50 -0.356 16.849 34.049 1.00 21.02 H new ATOM 0 HA LEU A 50 0.317 18.866 35.543 1.00 22.82 H new ATOM 0 HB2 LEU A 50 0.787 16.539 36.045 1.00 24.10 H new ATOM 0 HB3 LEU A 50 1.953 16.604 35.012 1.00 24.10 H new ATOM 0 HG LEU A 50 2.795 18.431 36.541 1.00 23.27 H new ATOM 0 HD11 LEU A 50 2.259 17.984 38.779 1.00 21.40 H new ATOM 0 HD12 LEU A 50 0.947 18.365 37.977 1.00 21.40 H new ATOM 0 HD13 LEU A 50 1.257 16.849 38.314 1.00 21.40 H new ATOM 0 HD21 LEU A 50 4.143 16.848 37.607 1.00 25.22 H new ATOM 0 HD22 LEU A 50 3.172 15.694 37.125 1.00 25.22 H new ATOM 0 HD23 LEU A 50 4.024 16.506 36.065 1.00 25.22 H new ATOM 397 N GLY A 51 2.219 20.170 34.710 1.00 26.67 N ATOM 398 CA GLY A 51 3.282 20.957 34.105 1.00 27.51 C ATOM 399 C GLY A 51 2.877 21.741 32.868 1.00 28.12 C ATOM 400 O GLY A 51 3.712 22.028 32.015 1.00 30.82 O ATOM 0 H GLY A 51 1.933 20.470 35.463 1.00 26.67 H new ATOM 0 HA2 GLY A 51 3.623 21.578 34.767 1.00 27.51 H new ATOM 0 HA3 GLY A 51 4.012 20.363 33.870 1.00 27.51 H new ATOM 401 N LYS A 52 1.610 22.134 32.796 1.00 25.66 N ATOM 402 CA LYS A 52 1.110 22.901 31.657 1.00 25.75 C ATOM 403 C LYS A 52 0.560 24.263 32.076 1.00 22.26 C ATOM 404 O LYS A 52 -0.054 24.957 31.275 1.00 22.77 O ATOM 405 CB LYS A 52 0.017 22.108 30.926 1.00 30.76 C ATOM 406 CG LYS A 52 0.442 21.530 29.575 1.00 35.36 C ATOM 407 CD LYS A 52 1.456 20.403 29.734 1.00 38.09 C ATOM 408 CE LYS A 52 2.038 19.979 28.393 1.00 38.60 C ATOM 409 NZ LYS A 52 3.086 18.930 28.551 1.00 35.93 N ATOM 0 H LYS A 52 1.020 21.966 33.399 1.00 25.66 H new ATOM 0 HA LYS A 52 1.861 23.055 31.063 1.00 25.75 H new ATOM 0 HB2 LYS A 52 -0.275 21.381 31.498 1.00 30.76 H new ATOM 0 HB3 LYS A 52 -0.749 22.687 30.790 1.00 30.76 H new ATOM 0 HG2 LYS A 52 -0.339 21.198 29.105 1.00 35.36 H new ATOM 0 HG3 LYS A 52 0.824 22.234 29.028 1.00 35.36 H new ATOM 0 HD2 LYS A 52 2.172 20.692 30.321 1.00 38.09 H new ATOM 0 HD3 LYS A 52 1.030 19.641 30.158 1.00 38.09 H new ATOM 0 HE2 LYS A 52 1.328 19.644 27.824 1.00 38.60 H new ATOM 0 HE3 LYS A 52 2.418 20.752 27.947 1.00 38.60 H new ATOM 0 HZ1 LYS A 52 3.634 18.949 27.850 1.00 35.93 H new ATOM 0 HZ2 LYS A 52 3.551 19.084 29.294 1.00 35.93 H new ATOM 0 HZ3 LYS A 52 2.700 18.130 28.604 1.00 35.93 H new ATOM 410 N GLN A 53 0.734 24.607 33.349 1.00 20.04 N ATOM 411 CA GLN A 53 0.154 25.823 33.925 1.00 20.77 C ATOM 412 C GLN A 53 -1.366 25.902 33.836 1.00 19.13 C ATOM 413 O GLN A 53 -1.940 26.988 33.850 1.00 18.70 O ATOM 414 CB GLN A 53 0.764 27.071 33.279 1.00 28.12 C ATOM 415 CG GLN A 53 1.802 27.772 34.137 1.00 35.61 C ATOM 416 CD GLN A 53 3.105 26.999 34.223 1.00 39.73 C ATOM 417 OE1 GLN A 53 3.123 25.772 34.135 1.00 41.70 O ATOM 418 NE2 GLN A 53 4.203 27.714 34.413 1.00 41.98 N ATOM 0 H GLN A 53 1.193 24.141 33.907 1.00 20.04 H new ATOM 0 HA GLN A 53 0.373 25.783 34.869 1.00 20.77 H new ATOM 0 HB2 GLN A 53 1.172 26.820 32.436 1.00 28.12 H new ATOM 0 HB3 GLN A 53 0.052 27.697 33.074 1.00 28.12 H new ATOM 0 HG2 GLN A 53 1.976 28.654 33.772 1.00 35.61 H new ATOM 0 HG3 GLN A 53 1.446 27.900 35.030 1.00 35.61 H new ATOM 0 HE21 GLN A 53 4.154 28.571 34.470 1.00 41.98 H new ATOM 0 HE22 GLN A 53 4.965 27.322 34.480 1.00 41.98 H new ATOM 419 N GLU A 54 -2.023 24.750 33.811 1.00 14.85 N ATOM 420 CA GLU A 54 -3.479 24.706 33.835 1.00 12.23 C ATOM 421 C GLU A 54 -4.007 25.102 35.209 1.00 9.47 C ATOM 422 O GLU A 54 -5.103 25.651 35.334 1.00 6.00 O ATOM 423 CB GLU A 54 -3.976 23.305 33.489 1.00 16.48 C ATOM 424 CG GLU A 54 -4.128 23.026 32.003 1.00 17.00 C ATOM 425 CD GLU A 54 -4.680 21.634 31.729 1.00 20.44 C ATOM 426 OE1 GLU A 54 -5.689 21.251 32.359 1.00 23.67 O ATOM 427 OE2 GLU A 54 -4.104 20.917 30.882 1.00 25.14 O ATOM 0 H GLU A 54 -1.643 23.979 33.780 1.00 14.85 H new ATOM 0 HA GLU A 54 -3.807 25.336 33.175 1.00 12.23 H new ATOM 0 HB2 GLU A 54 -3.361 22.656 33.865 1.00 16.48 H new ATOM 0 HB3 GLU A 54 -4.834 23.165 33.920 1.00 16.48 H new ATOM 0 HG2 GLU A 54 -4.718 23.688 31.611 1.00 17.00 H new ATOM 0 HG3 GLU A 54 -3.266 23.121 31.569 1.00 17.00 H new ATOM 428 N VAL A 55 -3.228 24.792 36.240 1.00 8.66 N ATOM 429 CA VAL A 55 -3.633 25.039 37.620 1.00 9.42 C ATOM 430 C VAL A 55 -2.597 25.877 38.363 1.00 11.18 C ATOM 431 O VAL A 55 -1.486 26.068 37.873 1.00 15.40 O ATOM 432 CB VAL A 55 -3.858 23.714 38.381 1.00 5.77 C ATOM 433 CG1 VAL A 55 -5.015 22.965 37.765 1.00 5.17 C ATOM 434 CG2 VAL A 55 -2.589 22.855 38.361 1.00 4.53 C ATOM 0 H VAL A 55 -2.451 24.433 36.160 1.00 8.66 H new ATOM 0 HA VAL A 55 -4.468 25.531 37.585 1.00 9.42 H new ATOM 0 HB VAL A 55 -4.068 23.915 39.306 1.00 5.77 H new ATOM 0 HG11 VAL A 55 -5.154 22.133 38.244 1.00 5.17 H new ATOM 0 HG12 VAL A 55 -5.817 23.507 37.819 1.00 5.17 H new ATOM 0 HG13 VAL A 55 -4.818 22.772 36.835 1.00 5.17 H new ATOM 0 HG21 VAL A 55 -2.750 22.029 38.843 1.00 4.53 H new ATOM 0 HG22 VAL A 55 -2.350 22.652 37.443 1.00 4.53 H new ATOM 0 HG23 VAL A 55 -1.863 23.340 38.784 1.00 4.53 H new ATOM 435 N ILE A 56 -2.984 26.443 39.502 1.00 11.65 N ATOM 436 CA ILE A 56 -2.067 27.232 40.326 1.00 8.32 C ATOM 437 C ILE A 56 -0.782 26.482 40.708 1.00 9.59 C ATOM 438 O ILE A 56 -0.798 25.272 40.952 1.00 12.37 O ATOM 439 CB ILE A 56 -2.761 27.738 41.621 1.00 5.13 C ATOM 440 CG1 ILE A 56 -3.379 26.569 42.390 1.00 2.00 C ATOM 441 CG2 ILE A 56 -3.834 28.756 41.274 1.00 3.23 C ATOM 442 CD1 ILE A 56 -4.121 26.984 43.640 1.00 3.02 C ATOM 0 H ILE A 56 -3.781 26.382 39.819 1.00 11.65 H new ATOM 0 HA ILE A 56 -1.813 27.985 39.769 1.00 8.32 H new ATOM 0 HB ILE A 56 -2.093 28.160 42.184 1.00 5.13 H new ATOM 0 HG12 ILE A 56 -3.989 26.094 41.804 1.00 2.00 H new ATOM 0 HG13 ILE A 56 -2.677 25.946 42.633 1.00 2.00 H new ATOM 0 HG21 ILE A 56 -4.261 29.066 42.088 1.00 3.23 H new ATOM 0 HG22 ILE A 56 -3.430 29.509 40.815 1.00 3.23 H new ATOM 0 HG23 ILE A 56 -4.497 28.344 40.698 1.00 3.23 H new ATOM 0 HD11 ILE A 56 -4.485 26.198 44.076 1.00 3.02 H new ATOM 0 HD12 ILE A 56 -3.511 27.435 44.244 1.00 3.02 H new ATOM 0 HD13 ILE A 56 -4.844 27.586 43.403 1.00 3.02 H new ATOM 443 N ARG A 57 0.302 27.234 40.876 1.00 9.16 N ATOM 444 CA ARG A 57 1.630 26.675 41.135 1.00 11.24 C ATOM 445 C ARG A 57 1.663 25.708 42.313 1.00 11.99 C ATOM 446 O ARG A 57 2.286 24.643 42.241 1.00 13.41 O ATOM 447 CB ARG A 57 2.622 27.811 41.381 1.00 14.25 C ATOM 448 CG ARG A 57 4.075 27.390 41.354 1.00 17.59 C ATOM 449 CD ARG A 57 4.979 28.607 41.403 1.00 17.88 C ATOM 450 NE ARG A 57 6.390 28.237 41.480 1.00 21.96 N ATOM 451 CZ ARG A 57 7.361 29.070 41.842 1.00 25.74 C ATOM 452 NH1 ARG A 57 7.083 30.325 42.176 1.00 25.57 N ATOM 453 NH2 ARG A 57 8.618 28.642 41.882 1.00 28.13 N ATOM 0 H ARG A 57 0.289 28.093 40.843 1.00 9.16 H new ATOM 0 HA ARG A 57 1.876 26.164 40.348 1.00 11.24 H new ATOM 0 HB2 ARG A 57 2.483 28.498 40.710 1.00 14.25 H new ATOM 0 HB3 ARG A 57 2.429 28.213 42.242 1.00 14.25 H new ATOM 0 HG2 ARG A 57 4.264 26.809 42.108 1.00 17.59 H new ATOM 0 HG3 ARG A 57 4.255 26.878 40.550 1.00 17.59 H new ATOM 0 HD2 ARG A 57 4.831 29.151 40.614 1.00 17.88 H new ATOM 0 HD3 ARG A 57 4.746 29.152 42.171 1.00 17.88 H new ATOM 0 HE ARG A 57 6.606 27.429 41.278 1.00 21.96 H new ATOM 0 HH11 ARG A 57 6.270 30.604 42.159 1.00 25.57 H new ATOM 0 HH12 ARG A 57 7.716 30.858 42.409 1.00 25.57 H new ATOM 0 HH21 ARG A 57 8.802 27.828 41.674 1.00 28.13 H new ATOM 0 HH22 ARG A 57 9.248 29.179 42.116 1.00 28.13 H new ATOM 454 N GLY A 58 0.965 26.070 43.386 1.00 11.49 N ATOM 455 CA GLY A 58 0.901 25.227 44.568 1.00 9.36 C ATOM 456 C GLY A 58 0.394 23.827 44.290 1.00 8.99 C ATOM 457 O GLY A 58 0.927 22.865 44.831 1.00 9.09 O ATOM 0 H GLY A 58 0.521 26.804 43.447 1.00 11.49 H new ATOM 0 HA2 GLY A 58 1.785 25.170 44.963 1.00 9.36 H new ATOM 0 HA3 GLY A 58 0.324 25.647 45.224 1.00 9.36 H new ATOM 458 N TRP A 59 -0.596 23.711 43.406 1.00 9.88 N ATOM 459 CA TRP A 59 -1.075 22.415 42.924 1.00 10.29 C ATOM 460 C TRP A 59 -0.028 21.711 42.059 1.00 12.85 C ATOM 461 O TRP A 59 0.238 20.523 42.231 1.00 15.62 O ATOM 462 CB TRP A 59 -2.360 22.591 42.111 1.00 9.46 C ATOM 463 CG TRP A 59 -3.617 22.391 42.897 1.00 9.04 C ATOM 464 CD1 TRP A 59 -4.047 23.131 43.964 1.00 6.57 C ATOM 465 CD2 TRP A 59 -4.622 21.397 42.668 1.00 8.84 C ATOM 466 NE1 TRP A 59 -5.257 22.656 44.411 1.00 4.40 N ATOM 467 CE2 TRP A 59 -5.632 21.588 43.636 1.00 4.37 C ATOM 468 CE3 TRP A 59 -4.774 20.365 41.726 1.00 2.00 C ATOM 469 CZ2 TRP A 59 -6.778 20.788 43.699 1.00 5.68 C ATOM 470 CZ3 TRP A 59 -5.918 19.569 41.786 1.00 5.13 C ATOM 471 CH2 TRP A 59 -6.902 19.784 42.767 1.00 5.49 C ATOM 0 H TRP A 59 -1.010 24.384 43.067 1.00 9.88 H new ATOM 0 HA TRP A 59 -1.250 21.866 43.704 1.00 10.29 H new ATOM 0 HB2 TRP A 59 -2.369 23.482 41.728 1.00 9.46 H new ATOM 0 HB3 TRP A 59 -2.351 21.964 41.371 1.00 9.46 H new ATOM 0 HD1 TRP A 59 -3.588 23.851 44.333 1.00 6.57 H new ATOM 0 HE1 TRP A 59 -5.707 22.977 45.070 1.00 4.40 H new ATOM 0 HE3 TRP A 59 -4.125 20.216 41.076 1.00 2.00 H new ATOM 0 HZ2 TRP A 59 -7.431 20.930 44.346 1.00 5.68 H new ATOM 0 HZ3 TRP A 59 -6.032 18.885 41.167 1.00 5.13 H new ATOM 0 HH2 TRP A 59 -7.653 19.236 42.786 1.00 5.49 H new ATOM 472 N GLU A 60 0.599 22.458 41.160 1.00 14.58 N ATOM 473 CA GLU A 60 1.600 21.890 40.264 1.00 16.08 C ATOM 474 C GLU A 60 2.760 21.251 41.030 1.00 15.95 C ATOM 475 O GLU A 60 3.141 20.114 40.757 1.00 15.29 O ATOM 476 CB GLU A 60 2.142 22.969 39.329 1.00 18.40 C ATOM 477 CG GLU A 60 2.447 22.474 37.934 1.00 21.95 C ATOM 478 CD GLU A 60 1.302 22.718 36.981 1.00 22.30 C ATOM 479 OE1 GLU A 60 1.059 23.892 36.636 1.00 27.39 O ATOM 480 OE2 GLU A 60 0.629 21.742 36.600 1.00 21.19 O ATOM 0 H GLU A 60 0.459 23.300 41.051 1.00 14.58 H new ATOM 0 HA GLU A 60 1.162 21.195 39.749 1.00 16.08 H new ATOM 0 HB2 GLU A 60 1.496 23.690 39.273 1.00 18.40 H new ATOM 0 HB3 GLU A 60 2.950 23.342 39.714 1.00 18.40 H new ATOM 0 HG2 GLU A 60 3.243 22.918 37.602 1.00 21.95 H new ATOM 0 HG3 GLU A 60 2.644 21.525 37.965 1.00 21.95 H new ATOM 481 N GLU A 61 3.261 21.959 42.040 1.00 15.57 N ATOM 482 CA GLU A 61 4.373 21.473 42.852 1.00 13.25 C ATOM 483 C GLU A 61 3.939 20.499 43.947 1.00 11.62 C ATOM 484 O GLU A 61 4.664 19.563 44.278 1.00 11.01 O ATOM 485 CB GLU A 61 5.115 22.650 43.482 1.00 15.92 C ATOM 486 CG GLU A 61 5.599 23.673 42.472 1.00 18.95 C ATOM 487 CD GLU A 61 6.694 24.567 43.014 1.00 24.91 C ATOM 488 OE1 GLU A 61 6.767 24.757 44.249 1.00 28.85 O ATOM 489 OE2 GLU A 61 7.476 25.095 42.196 1.00 24.92 O ATOM 0 H GLU A 61 2.966 22.733 42.273 1.00 15.57 H new ATOM 0 HA GLU A 61 4.959 20.985 42.252 1.00 13.25 H new ATOM 0 HB2 GLU A 61 4.530 23.088 44.120 1.00 15.92 H new ATOM 0 HB3 GLU A 61 5.876 22.313 43.980 1.00 15.92 H new ATOM 0 HG2 GLU A 61 5.925 23.212 41.683 1.00 18.95 H new ATOM 0 HG3 GLU A 61 4.850 24.222 42.190 1.00 18.95 H new ATOM 490 N GLY A 62 2.761 20.730 44.514 1.00 10.13 N ATOM 491 CA GLY A 62 2.259 19.857 45.562 1.00 9.59 C ATOM 492 C GLY A 62 1.875 18.474 45.063 1.00 8.42 C ATOM 493 O GLY A 62 2.308 17.476 45.624 1.00 9.83 O ATOM 0 H GLY A 62 2.241 21.383 44.307 1.00 10.13 H new ATOM 0 HA2 GLY A 62 2.935 19.768 46.252 1.00 9.59 H new ATOM 0 HA3 GLY A 62 1.485 20.271 45.975 1.00 9.59 H new ATOM 494 N VAL A 63 1.126 18.420 43.963 1.00 5.83 N ATOM 495 CA VAL A 63 0.657 17.157 43.391 1.00 7.61 C ATOM 496 C VAL A 63 1.792 16.359 42.745 1.00 9.12 C ATOM 497 O VAL A 63 1.797 15.126 42.781 1.00 10.82 O ATOM 498 CB VAL A 63 -0.464 17.395 42.337 1.00 9.94 C ATOM 499 CG1 VAL A 63 -1.018 16.064 41.839 1.00 4.66 C ATOM 500 CG2 VAL A 63 -1.591 18.237 42.942 1.00 7.96 C ATOM 0 H VAL A 63 0.874 19.116 43.526 1.00 5.83 H new ATOM 0 HA VAL A 63 0.300 16.641 44.131 1.00 7.61 H new ATOM 0 HB VAL A 63 -0.082 17.875 41.585 1.00 9.94 H new ATOM 0 HG11 VAL A 63 -1.714 16.228 41.184 1.00 4.66 H new ATOM 0 HG12 VAL A 63 -0.305 15.549 41.430 1.00 4.66 H new ATOM 0 HG13 VAL A 63 -1.388 15.567 42.586 1.00 4.66 H new ATOM 0 HG21 VAL A 63 -2.283 18.378 42.277 1.00 7.96 H new ATOM 0 HG22 VAL A 63 -1.968 17.773 43.706 1.00 7.96 H new ATOM 0 HG23 VAL A 63 -1.237 19.094 43.227 1.00 7.96 H new ATOM 501 N ALA A 64 2.793 17.068 42.232 1.00 8.84 N ATOM 502 CA ALA A 64 3.947 16.420 41.619 1.00 10.52 C ATOM 503 C ALA A 64 4.663 15.462 42.568 1.00 13.41 C ATOM 504 O ALA A 64 5.247 14.469 42.129 1.00 13.79 O ATOM 505 CB ALA A 64 4.923 17.468 41.104 1.00 10.36 C ATOM 0 H ALA A 64 2.823 17.927 42.229 1.00 8.84 H new ATOM 0 HA ALA A 64 3.612 15.889 40.880 1.00 10.52 H new ATOM 0 HB1 ALA A 64 5.686 17.028 40.698 1.00 10.36 H new ATOM 0 HB2 ALA A 64 4.482 18.024 40.443 1.00 10.36 H new ATOM 0 HB3 ALA A 64 5.224 18.021 41.842 1.00 10.36 H new ATOM 506 N GLN A 65 4.629 15.753 43.866 1.00 15.66 N ATOM 507 CA GLN A 65 5.333 14.911 44.835 1.00 18.46 C ATOM 508 C GLN A 65 4.427 13.917 45.560 1.00 16.65 C ATOM 509 O GLN A 65 4.836 13.271 46.524 1.00 15.84 O ATOM 510 CB GLN A 65 6.112 15.769 45.843 1.00 21.49 C ATOM 511 CG GLN A 65 5.304 16.827 46.562 1.00 26.75 C ATOM 512 CD GLN A 65 6.186 17.911 47.159 1.00 30.68 C ATOM 513 OE1 GLN A 65 6.641 17.807 48.296 1.00 32.55 O ATOM 514 NE2 GLN A 65 6.421 18.963 46.396 1.00 32.15 N ATOM 0 H GLN A 65 4.211 16.424 44.205 1.00 15.66 H new ATOM 0 HA GLN A 65 5.958 14.378 44.318 1.00 18.46 H new ATOM 0 HB2 GLN A 65 6.508 15.182 46.505 1.00 21.49 H new ATOM 0 HB3 GLN A 65 6.843 16.204 45.377 1.00 21.49 H new ATOM 0 HG2 GLN A 65 4.675 17.228 45.943 1.00 26.75 H new ATOM 0 HG3 GLN A 65 4.783 16.411 47.266 1.00 26.75 H new ATOM 0 HE21 GLN A 65 6.087 19.003 45.605 1.00 32.15 H new ATOM 0 HE22 GLN A 65 6.908 19.608 46.690 1.00 32.15 H new ATOM 515 N MET A 66 3.234 13.715 45.013 1.00 14.97 N ATOM 516 CA MET A 66 2.322 12.697 45.516 1.00 13.21 C ATOM 517 C MET A 66 2.384 11.459 44.626 1.00 15.11 C ATOM 518 O MET A 66 2.695 11.553 43.439 1.00 15.80 O ATOM 519 CB MET A 66 0.893 13.234 45.543 1.00 12.11 C ATOM 520 CG MET A 66 0.670 14.392 46.488 1.00 10.72 C ATOM 521 SD MET A 66 -1.018 15.005 46.372 1.00 11.07 S ATOM 522 CE MET A 66 -1.929 13.527 46.630 1.00 3.55 C ATOM 0 H MET A 66 2.932 14.162 44.343 1.00 14.97 H new ATOM 0 HA MET A 66 2.588 12.460 46.418 1.00 13.21 H new ATOM 0 HB2 MET A 66 0.648 13.512 44.647 1.00 12.11 H new ATOM 0 HB3 MET A 66 0.294 12.512 45.789 1.00 12.11 H new ATOM 0 HG2 MET A 66 0.854 14.111 47.398 1.00 10.72 H new ATOM 0 HG3 MET A 66 1.292 15.107 46.281 1.00 10.72 H new ATOM 0 HE1 MET A 66 -2.837 13.748 46.889 1.00 3.55 H new ATOM 0 HE2 MET A 66 -1.944 13.009 45.810 1.00 3.55 H new ATOM 0 HE3 MET A 66 -1.510 13.007 47.333 1.00 3.55 H new ATOM 523 N SER A 67 2.139 10.293 45.213 1.00 13.17 N ATOM 524 CA SER A 67 2.108 9.053 44.447 1.00 8.66 C ATOM 525 C SER A 67 0.698 8.492 44.454 1.00 7.52 C ATOM 526 O SER A 67 -0.101 8.851 45.314 1.00 8.00 O ATOM 527 CB SER A 67 3.090 8.037 45.032 1.00 5.86 C ATOM 528 OG SER A 67 2.682 7.600 46.314 1.00 11.02 O ATOM 0 H SER A 67 1.988 10.198 46.054 1.00 13.17 H new ATOM 0 HA SER A 67 2.374 9.237 43.533 1.00 8.66 H new ATOM 0 HB2 SER A 67 3.161 7.275 44.437 1.00 5.86 H new ATOM 0 HB3 SER A 67 3.973 8.435 45.090 1.00 5.86 H new ATOM 0 HG SER A 67 3.107 8.023 46.903 1.00 11.02 H new ATOM 529 N VAL A 68 0.371 7.659 43.468 1.00 9.00 N ATOM 530 CA VAL A 68 -1.004 7.192 43.265 1.00 5.25 C ATOM 531 C VAL A 68 -1.623 6.553 44.514 1.00 9.56 C ATOM 532 O VAL A 68 -0.971 5.780 45.216 1.00 12.24 O ATOM 533 CB VAL A 68 -1.079 6.190 42.086 1.00 8.82 C ATOM 534 CG1 VAL A 68 -2.469 5.586 41.983 1.00 7.38 C ATOM 535 CG2 VAL A 68 -0.725 6.893 40.794 1.00 8.58 C ATOM 0 H VAL A 68 0.936 7.348 42.899 1.00 9.00 H new ATOM 0 HA VAL A 68 -1.522 7.986 43.060 1.00 5.25 H new ATOM 0 HB VAL A 68 -0.445 5.474 42.247 1.00 8.82 H new ATOM 0 HG11 VAL A 68 -2.497 4.962 41.241 1.00 7.38 H new ATOM 0 HG12 VAL A 68 -2.681 5.118 42.806 1.00 7.38 H new ATOM 0 HG13 VAL A 68 -3.119 6.291 41.837 1.00 7.38 H new ATOM 0 HG21 VAL A 68 -0.773 6.262 40.059 1.00 8.58 H new ATOM 0 HG22 VAL A 68 -1.350 7.619 40.639 1.00 8.58 H new ATOM 0 HG23 VAL A 68 0.175 7.249 40.855 1.00 8.58 H new ATOM 536 N GLY A 69 -2.864 6.925 44.811 1.00 9.15 N ATOM 537 CA GLY A 69 -3.535 6.418 45.994 1.00 8.87 C ATOM 538 C GLY A 69 -3.441 7.350 47.191 1.00 9.39 C ATOM 539 O GLY A 69 -4.273 7.295 48.100 1.00 10.72 O ATOM 0 H GLY A 69 -3.332 7.470 44.338 1.00 9.15 H new ATOM 0 HA2 GLY A 69 -4.470 6.264 45.786 1.00 8.87 H new ATOM 0 HA3 GLY A 69 -3.152 5.559 46.231 1.00 8.87 H new ATOM 540 N GLN A 70 -2.465 8.252 47.157 1.00 8.82 N ATOM 541 CA GLN A 70 -2.182 9.131 48.286 1.00 7.61 C ATOM 542 C GLN A 70 -3.173 10.272 48.446 1.00 8.45 C ATOM 543 O GLN A 70 -3.468 11.000 47.497 1.00 11.91 O ATOM 544 CB GLN A 70 -0.781 9.711 48.166 1.00 11.60 C ATOM 545 CG GLN A 70 -0.353 10.535 49.358 1.00 10.84 C ATOM 546 CD GLN A 70 1.013 11.123 49.163 1.00 14.10 C ATOM 547 OE1 GLN A 70 1.688 10.830 48.174 1.00 20.03 O ATOM 548 NE2 GLN A 70 1.428 11.977 50.083 1.00 14.99 N ATOM 0 H GLN A 70 -1.949 8.371 46.480 1.00 8.82 H new ATOM 0 HA GLN A 70 -2.261 8.572 49.075 1.00 7.61 H new ATOM 0 HB2 GLN A 70 -0.150 8.985 48.043 1.00 11.60 H new ATOM 0 HB3 GLN A 70 -0.737 10.263 47.370 1.00 11.60 H new ATOM 0 HG2 GLN A 70 -0.994 11.247 49.506 1.00 10.84 H new ATOM 0 HG3 GLN A 70 -0.356 9.980 50.154 1.00 10.84 H new ATOM 0 HE21 GLN A 70 0.928 12.156 50.760 1.00 14.99 H new ATOM 0 HE22 GLN A 70 2.197 12.353 50.005 1.00 14.99 H new ATOM 549 N ARG A 71 -3.666 10.429 49.668 1.00 8.26 N ATOM 550 CA ARG A 71 -4.482 11.569 50.042 1.00 7.24 C ATOM 551 C ARG A 71 -3.664 12.491 50.938 1.00 10.28 C ATOM 552 O ARG A 71 -3.144 12.071 51.977 1.00 12.92 O ATOM 553 CB ARG A 71 -5.740 11.099 50.774 1.00 6.84 C ATOM 554 CG ARG A 71 -6.715 12.209 51.108 1.00 6.04 C ATOM 555 CD ARG A 71 -8.084 11.641 51.393 1.00 12.57 C ATOM 556 NE ARG A 71 -8.946 12.597 52.079 1.00 14.66 N ATOM 557 CZ ARG A 71 -10.214 12.360 52.400 1.00 22.58 C ATOM 558 NH1 ARG A 71 -10.796 11.226 52.033 1.00 24.10 N ATOM 559 NH2 ARG A 71 -10.910 13.261 53.078 1.00 25.94 N ATOM 0 H ARG A 71 -3.533 9.870 50.308 1.00 8.26 H new ATOM 0 HA ARG A 71 -4.755 12.050 49.245 1.00 7.24 H new ATOM 0 HB2 ARG A 71 -6.193 10.438 50.227 1.00 6.84 H new ATOM 0 HB3 ARG A 71 -5.477 10.655 51.595 1.00 6.84 H new ATOM 0 HG2 ARG A 71 -6.398 12.705 51.879 1.00 6.04 H new ATOM 0 HG3 ARG A 71 -6.766 12.835 50.369 1.00 6.04 H new ATOM 0 HD2 ARG A 71 -8.501 11.373 50.559 1.00 12.57 H new ATOM 0 HD3 ARG A 71 -7.994 10.842 51.935 1.00 12.57 H new ATOM 0 HE ARG A 71 -8.613 13.362 52.289 1.00 14.66 H new ATOM 0 HH11 ARG A 71 -10.353 10.640 51.585 1.00 24.10 H new ATOM 0 HH12 ARG A 71 -11.617 11.076 52.243 1.00 24.10 H new ATOM 0 HH21 ARG A 71 -10.542 14.002 53.312 1.00 25.94 H new ATOM 0 HH22 ARG A 71 -11.730 13.105 53.284 1.00 25.94 H new ATOM 560 N ALA A 72 -3.475 13.722 50.487 1.00 10.50 N ATOM 561 CA ALA A 72 -2.640 14.673 51.196 1.00 6.17 C ATOM 562 C ALA A 72 -3.366 15.985 51.470 1.00 9.41 C ATOM 563 O ALA A 72 -4.425 16.269 50.899 1.00 9.45 O ATOM 564 CB ALA A 72 -1.366 14.939 50.407 1.00 7.02 C ATOM 0 H ALA A 72 -3.826 14.028 49.764 1.00 10.50 H new ATOM 0 HA ALA A 72 -2.417 14.279 52.054 1.00 6.17 H new ATOM 0 HB1 ALA A 72 -0.814 15.575 50.888 1.00 7.02 H new ATOM 0 HB2 ALA A 72 -0.877 14.109 50.292 1.00 7.02 H new ATOM 0 HB3 ALA A 72 -1.594 15.302 49.537 1.00 7.02 H new ATOM 565 N LYS A 73 -2.790 16.763 52.378 1.00 9.45 N ATOM 566 CA LYS A 73 -3.297 18.072 52.742 1.00 9.78 C ATOM 567 C LYS A 73 -2.313 19.112 52.233 1.00 10.11 C ATOM 568 O LYS A 73 -1.144 19.119 52.621 1.00 9.58 O ATOM 569 CB LYS A 73 -3.429 18.182 54.260 1.00 11.00 C ATOM 570 CG LYS A 73 -4.084 19.458 54.733 1.00 13.90 C ATOM 571 CD LYS A 73 -3.906 19.638 56.226 1.00 18.87 C ATOM 572 CE LYS A 73 -4.700 20.825 56.734 1.00 22.53 C ATOM 573 NZ LYS A 73 -4.555 20.988 58.211 1.00 31.71 N ATOM 0 H LYS A 73 -2.079 16.537 52.807 1.00 9.45 H new ATOM 0 HA LYS A 73 -4.173 18.213 52.350 1.00 9.78 H new ATOM 0 HB2 LYS A 73 -3.943 17.426 54.586 1.00 11.00 H new ATOM 0 HB3 LYS A 73 -2.546 18.117 54.657 1.00 11.00 H new ATOM 0 HG2 LYS A 73 -3.700 20.216 54.264 1.00 13.90 H new ATOM 0 HG3 LYS A 73 -5.029 19.440 54.516 1.00 13.90 H new ATOM 0 HD2 LYS A 73 -4.191 18.834 56.687 1.00 18.87 H new ATOM 0 HD3 LYS A 73 -2.966 19.764 56.429 1.00 18.87 H new ATOM 0 HE2 LYS A 73 -4.400 21.632 56.287 1.00 22.53 H new ATOM 0 HE3 LYS A 73 -5.637 20.709 56.510 1.00 22.53 H new ATOM 0 HZ1 LYS A 73 -5.030 21.690 58.480 1.00 31.71 H new ATOM 0 HZ2 LYS A 73 -4.850 20.255 58.621 1.00 31.71 H new ATOM 0 HZ3 LYS A 73 -3.698 21.115 58.413 1.00 31.71 H new ATOM 574 N LEU A 74 -2.748 19.878 51.242 1.00 11.88 N ATOM 575 CA LEU A 74 -1.921 20.925 50.661 1.00 11.47 C ATOM 576 C LEU A 74 -2.209 22.274 51.312 1.00 8.98 C ATOM 577 O LEU A 74 -3.320 22.787 51.224 1.00 11.10 O ATOM 578 CB LEU A 74 -2.172 21.009 49.155 1.00 11.97 C ATOM 579 CG LEU A 74 -1.382 20.068 48.241 1.00 12.67 C ATOM 580 CD1 LEU A 74 -1.398 18.650 48.784 1.00 11.72 C ATOM 581 CD2 LEU A 74 -1.982 20.111 46.842 1.00 10.93 C ATOM 0 H LEU A 74 -3.529 19.806 50.888 1.00 11.88 H new ATOM 0 HA LEU A 74 -0.990 20.703 50.821 1.00 11.47 H new ATOM 0 HB2 LEU A 74 -3.116 20.849 49.002 1.00 11.97 H new ATOM 0 HB3 LEU A 74 -1.989 21.919 48.874 1.00 11.97 H new ATOM 0 HG LEU A 74 -0.458 20.360 48.205 1.00 12.67 H new ATOM 0 HD11 LEU A 74 -0.893 18.071 48.192 1.00 11.72 H new ATOM 0 HD12 LEU A 74 -0.997 18.637 49.667 1.00 11.72 H new ATOM 0 HD13 LEU A 74 -2.314 18.335 48.840 1.00 11.72 H new ATOM 0 HD21 LEU A 74 -1.485 19.516 46.258 1.00 10.93 H new ATOM 0 HD22 LEU A 74 -2.909 19.828 46.878 1.00 10.93 H new ATOM 0 HD23 LEU A 74 -1.934 21.016 46.497 1.00 10.93 H new ATOM 582 N THR A 75 -1.244 22.784 52.066 1.00 10.81 N ATOM 583 CA THR A 75 -1.304 24.154 52.573 1.00 11.47 C ATOM 584 C THR A 75 -0.519 25.076 51.647 1.00 10.10 C ATOM 585 O THR A 75 0.695 24.960 51.525 1.00 7.00 O ATOM 586 CB THR A 75 -0.722 24.263 54.004 1.00 10.26 C ATOM 587 OG1 THR A 75 -1.565 23.544 54.918 1.00 7.43 O ATOM 588 CG2 THR A 75 -0.641 25.721 54.445 1.00 2.82 C ATOM 0 H THR A 75 -0.538 22.351 52.299 1.00 10.81 H new ATOM 0 HA THR A 75 -2.237 24.416 52.603 1.00 11.47 H new ATOM 0 HB THR A 75 0.171 23.885 54.003 1.00 10.26 H new ATOM 0 HG1 THR A 75 -1.338 22.735 54.932 1.00 7.43 H new ATOM 0 HG21 THR A 75 -0.275 25.768 55.342 1.00 2.82 H new ATOM 0 HG22 THR A 75 -0.068 26.212 53.836 1.00 2.82 H new ATOM 0 HG23 THR A 75 -1.529 26.111 54.438 1.00 2.82 H new ATOM 589 N ILE A 76 -1.235 25.953 50.954 1.00 10.77 N ATOM 590 CA ILE A 76 -0.642 26.771 49.901 1.00 11.98 C ATOM 591 C ILE A 76 -0.598 28.258 50.256 1.00 11.56 C ATOM 592 O ILE A 76 -1.604 28.855 50.645 1.00 12.95 O ATOM 593 CB ILE A 76 -1.397 26.574 48.558 1.00 10.44 C ATOM 594 CG1 ILE A 76 -1.421 25.087 48.193 1.00 3.99 C ATOM 595 CG2 ILE A 76 -0.719 27.371 47.447 1.00 10.86 C ATOM 596 CD1 ILE A 76 -2.408 24.724 47.111 1.00 6.38 C ATOM 0 H ILE A 76 -2.075 26.091 51.079 1.00 10.77 H new ATOM 0 HA ILE A 76 0.275 26.469 49.806 1.00 11.98 H new ATOM 0 HB ILE A 76 -2.307 26.894 48.659 1.00 10.44 H new ATOM 0 HG12 ILE A 76 -0.533 24.821 47.907 1.00 3.99 H new ATOM 0 HG13 ILE A 76 -1.628 24.573 48.989 1.00 3.99 H new ATOM 0 HG21 ILE A 76 -1.200 27.240 46.615 1.00 10.86 H new ATOM 0 HG22 ILE A 76 -0.722 28.313 47.676 1.00 10.86 H new ATOM 0 HG23 ILE A 76 0.196 27.067 47.343 1.00 10.86 H new ATOM 0 HD11 ILE A 76 -2.363 23.771 46.938 1.00 6.38 H new ATOM 0 HD12 ILE A 76 -3.304 24.958 47.399 1.00 6.38 H new ATOM 0 HD13 ILE A 76 -2.192 25.210 46.300 1.00 6.38 H new ATOM 597 N SER A 77 0.603 28.822 50.204 1.00 15.05 N ATOM 598 CA SER A 77 0.817 30.255 50.424 1.00 16.64 C ATOM 599 C SER A 77 0.146 31.069 49.318 1.00 12.44 C ATOM 600 O SER A 77 0.142 30.649 48.166 1.00 14.88 O ATOM 601 CB SER A 77 2.321 30.549 50.440 1.00 19.64 C ATOM 602 OG SER A 77 2.602 31.929 50.269 1.00 27.88 O ATOM 0 H SER A 77 1.324 28.384 50.039 1.00 15.05 H new ATOM 0 HA SER A 77 0.426 30.505 51.276 1.00 16.64 H new ATOM 0 HB2 SER A 77 2.699 30.246 51.280 1.00 19.64 H new ATOM 0 HB3 SER A 77 2.755 30.043 49.735 1.00 19.64 H new ATOM 0 HG SER A 77 3.433 32.050 50.285 1.00 27.88 H new ATOM 603 N PRO A 78 -0.319 32.292 49.629 1.00 10.73 N ATOM 604 CA PRO A 78 -0.925 33.147 48.601 1.00 10.23 C ATOM 605 C PRO A 78 -0.049 33.346 47.369 1.00 13.91 C ATOM 606 O PRO A 78 -0.560 33.477 46.255 1.00 17.29 O ATOM 607 CB PRO A 78 -1.192 34.466 49.335 1.00 8.81 C ATOM 608 CG PRO A 78 -0.418 34.371 50.623 1.00 9.75 C ATOM 609 CD PRO A 78 -0.392 32.922 50.957 1.00 9.52 C ATOM 0 HA PRO A 78 -1.728 32.744 48.235 1.00 10.23 H new ATOM 0 HB2 PRO A 78 -0.900 35.225 48.807 1.00 8.81 H new ATOM 0 HB3 PRO A 78 -2.139 34.586 49.505 1.00 8.81 H new ATOM 0 HG2 PRO A 78 0.480 34.723 50.519 1.00 9.75 H new ATOM 0 HG3 PRO A 78 -0.844 34.885 51.327 1.00 9.75 H new ATOM 0 HD2 PRO A 78 0.372 32.692 51.509 1.00 9.52 H new ATOM 0 HD3 PRO A 78 -1.186 32.649 51.443 1.00 9.52 H new ATOM 610 N ASP A 79 1.266 33.271 47.558 1.00 15.07 N ATOM 611 CA ASP A 79 2.223 33.372 46.457 1.00 15.54 C ATOM 612 C ASP A 79 2.067 32.236 45.443 1.00 16.37 C ATOM 613 O ASP A 79 2.304 32.430 44.255 1.00 19.98 O ATOM 614 CB ASP A 79 3.656 33.358 47.002 1.00 21.24 C ATOM 615 CG ASP A 79 4.272 34.745 47.094 1.00 26.83 C ATOM 616 OD1 ASP A 79 3.572 35.749 46.829 1.00 32.76 O ATOM 617 OD2 ASP A 79 5.471 34.827 47.438 1.00 32.90 O ATOM 0 H ASP A 79 1.630 33.160 48.329 1.00 15.07 H new ATOM 0 HA ASP A 79 2.041 34.209 46.002 1.00 15.54 H new ATOM 0 HB2 ASP A 79 3.658 32.950 47.882 1.00 21.24 H new ATOM 0 HB3 ASP A 79 4.208 32.802 46.431 1.00 21.24 H new ATOM 618 N TYR A 80 1.713 31.045 45.916 1.00 12.92 N ATOM 619 CA TYR A 80 1.599 29.876 45.046 1.00 11.79 C ATOM 620 C TYR A 80 0.161 29.599 44.705 1.00 11.46 C ATOM 621 O TYR A 80 -0.212 28.527 44.217 1.00 13.32 O ATOM 622 CB TYR A 80 2.187 28.643 45.721 1.00 12.48 C ATOM 623 CG TYR A 80 3.684 28.619 45.663 1.00 15.41 C ATOM 624 CD1 TYR A 80 4.429 29.781 45.874 1.00 15.00 C ATOM 625 CD2 TYR A 80 4.366 27.426 45.464 1.00 13.92 C ATOM 626 CE1 TYR A 80 5.814 29.748 45.901 1.00 17.39 C ATOM 627 CE2 TYR A 80 5.756 27.381 45.492 1.00 15.30 C ATOM 628 CZ TYR A 80 6.472 28.544 45.718 1.00 17.16 C ATOM 629 OH TYR A 80 7.841 28.496 45.838 1.00 21.01 O ATOM 0 H TYR A 80 1.533 30.891 46.743 1.00 12.92 H new ATOM 0 HA TYR A 80 2.092 30.070 44.234 1.00 11.79 H new ATOM 0 HB2 TYR A 80 1.901 28.618 46.648 1.00 12.48 H new ATOM 0 HB3 TYR A 80 1.837 27.846 45.294 1.00 12.48 H new ATOM 0 HD1 TYR A 80 3.988 30.590 45.998 1.00 15.00 H new ATOM 0 HD2 TYR A 80 3.886 26.645 45.310 1.00 13.92 H new ATOM 0 HE1 TYR A 80 6.298 30.530 46.041 1.00 17.39 H new ATOM 0 HE2 TYR A 80 6.201 26.575 45.360 1.00 15.30 H new ATOM 0 HH TYR A 80 8.107 27.710 45.704 1.00 21.01 H new ATOM 630 N ALA A 81 -0.630 30.652 44.832 1.00 9.75 N ATOM 631 CA ALA A 81 -2.030 30.474 44.581 1.00 9.20 C ATOM 632 C ALA A 81 -2.690 31.660 43.898 1.00 10.32 C ATOM 633 O ALA A 81 -2.530 31.782 42.708 1.00 16.89 O ATOM 634 CB ALA A 81 -2.693 30.135 45.827 1.00 6.70 C ATOM 0 H ALA A 81 -0.382 31.445 45.054 1.00 9.75 H new ATOM 0 HA ALA A 81 -2.123 29.746 43.947 1.00 9.20 H new ATOM 0 HB1 ALA A 81 -3.642 30.013 45.666 1.00 6.70 H new ATOM 0 HB2 ALA A 81 -2.317 29.314 46.181 1.00 6.70 H new ATOM 0 HB3 ALA A 81 -2.564 30.852 46.468 1.00 6.70 H new ATOM 635 N TYR A 82 -3.402 32.515 44.632 1.00 11.11 N ATOM 636 CA TYR A 82 -4.053 33.658 43.926 1.00 12.88 C ATOM 637 C TYR A 82 -3.533 35.058 44.261 1.00 12.96 C ATOM 638 O TYR A 82 -4.109 36.062 43.819 1.00 13.95 O ATOM 639 CB TYR A 82 -5.565 33.598 44.103 1.00 11.47 C ATOM 640 CG TYR A 82 -6.199 32.410 43.433 1.00 12.62 C ATOM 641 CD1 TYR A 82 -6.217 32.299 42.036 1.00 11.82 C ATOM 642 CD2 TYR A 82 -6.663 31.339 44.184 1.00 10.12 C ATOM 643 CE1 TYR A 82 -6.677 31.141 41.415 1.00 10.23 C ATOM 644 CE2 TYR A 82 -7.127 30.176 43.569 1.00 15.43 C ATOM 645 CZ TYR A 82 -7.127 30.084 42.185 1.00 8.48 C ATOM 646 OH TYR A 82 -7.549 28.921 41.583 1.00 11.92 O ATOM 0 H TYR A 82 -3.524 32.472 45.482 1.00 11.11 H new ATOM 0 HA TYR A 82 -3.804 33.532 42.997 1.00 12.88 H new ATOM 0 HB2 TYR A 82 -5.772 33.575 45.050 1.00 11.47 H new ATOM 0 HB3 TYR A 82 -5.958 34.410 43.746 1.00 11.47 H new ATOM 0 HD1 TYR A 82 -5.917 33.009 41.516 1.00 11.82 H new ATOM 0 HD2 TYR A 82 -6.665 31.398 45.112 1.00 10.12 H new ATOM 0 HE1 TYR A 82 -6.682 31.079 40.487 1.00 10.23 H new ATOM 0 HE2 TYR A 82 -7.435 29.466 44.084 1.00 15.43 H new ATOM 0 HH TYR A 82 -7.929 28.433 42.151 1.00 11.92 H new ATOM 647 N GLY A 83 -2.506 35.132 45.100 1.00 11.90 N ATOM 648 CA GLY A 83 -1.792 36.380 45.310 1.00 9.22 C ATOM 649 C GLY A 83 -2.563 37.529 45.935 1.00 10.44 C ATOM 650 O GLY A 83 -3.512 37.329 46.694 1.00 8.01 O ATOM 0 H GLY A 83 -2.208 34.468 45.558 1.00 11.90 H new ATOM 0 HA2 GLY A 83 -1.023 36.195 45.871 1.00 9.22 H new ATOM 0 HA3 GLY A 83 -1.452 36.679 44.452 1.00 9.22 H new ATOM 651 N ALA A 84 -2.139 38.750 45.628 1.00 11.88 N ATOM 652 CA ALA A 84 -2.715 39.946 46.238 1.00 13.55 C ATOM 653 C ALA A 84 -4.119 40.250 45.734 1.00 15.46 C ATOM 654 O ALA A 84 -4.936 40.822 46.456 1.00 16.81 O ATOM 655 CB ALA A 84 -1.814 41.138 45.997 1.00 11.21 C ATOM 0 H ALA A 84 -1.511 38.910 45.062 1.00 11.88 H new ATOM 0 HA ALA A 84 -2.786 39.769 47.189 1.00 13.55 H new ATOM 0 HB1 ALA A 84 -2.204 41.927 46.405 1.00 11.21 H new ATOM 0 HB2 ALA A 84 -0.943 40.970 46.388 1.00 11.21 H new ATOM 0 HB3 ALA A 84 -1.717 41.283 45.043 1.00 11.21 H new ATOM 656 N THR A 85 -4.381 39.899 44.482 1.00 15.41 N ATOM 657 CA THR A 85 -5.691 40.126 43.883 1.00 17.17 C ATOM 658 C THR A 85 -6.685 39.067 44.329 1.00 17.79 C ATOM 659 O THR A 85 -7.869 39.358 44.520 1.00 17.87 O ATOM 660 CB THR A 85 -5.619 40.094 42.342 1.00 18.77 C ATOM 661 OG1 THR A 85 -4.910 38.924 41.923 1.00 15.96 O ATOM 662 CG2 THR A 85 -4.897 41.326 41.814 1.00 17.23 C ATOM 0 H THR A 85 -3.810 39.525 43.958 1.00 15.41 H new ATOM 0 HA THR A 85 -5.983 41.003 44.178 1.00 17.17 H new ATOM 0 HB THR A 85 -6.523 40.082 41.990 1.00 18.77 H new ATOM 0 HG1 THR A 85 -4.872 38.905 41.084 1.00 15.96 H new ATOM 0 HG21 THR A 85 -4.861 41.290 40.845 1.00 17.23 H new ATOM 0 HG22 THR A 85 -5.374 42.124 42.090 1.00 17.23 H new ATOM 0 HG23 THR A 85 -3.995 41.350 42.170 1.00 17.23 H new ATOM 663 N GLY A 86 -6.206 37.835 44.479 1.00 16.93 N ATOM 664 CA GLY A 86 -7.086 36.726 44.789 1.00 16.20 C ATOM 665 C GLY A 86 -7.976 36.352 43.616 1.00 17.04 C ATOM 666 O GLY A 86 -7.533 36.313 42.465 1.00 14.78 O ATOM 0 H GLY A 86 -5.375 37.625 44.405 1.00 16.93 H new ATOM 0 HA2 GLY A 86 -6.555 35.957 45.048 1.00 16.20 H new ATOM 0 HA3 GLY A 86 -7.639 36.958 45.551 1.00 16.20 H new ATOM 667 N HIS A 87 -9.220 36.001 43.911 1.00 16.12 N ATOM 668 CA HIS A 87 -10.204 35.810 42.859 1.00 18.47 C ATOM 669 C HIS A 87 -11.524 36.460 43.226 1.00 20.05 C ATOM 670 O HIS A 87 -12.254 35.963 44.085 1.00 24.99 O ATOM 671 CB HIS A 87 -10.411 34.325 42.577 1.00 22.31 C ATOM 672 CG AHIS A 87 -10.317 33.975 41.126 0.50 25.80 C ATOM 673 CG BHIS A 87 -10.940 34.035 41.206 0.50 25.80 C ATOM 674 ND1AHIS A 87 -11.273 33.864 40.171 0.50 29.11 N flip ATOM 675 ND1BHIS A 87 -12.181 33.705 40.780 0.50 29.11 N flip ATOM 676 CD2AHIS A 87 -9.111 33.788 40.482 0.50 26.04 C flip ATOM 677 CD2BHIS A 87 -10.135 34.022 40.087 0.50 26.04 C flip ATOM 678 CE1AHIS A 87 -10.631 33.624 38.982 0.50 31.89 C flip ATOM 679 CE1BHIS A 87 -12.106 33.497 39.426 0.50 31.89 C flip ATOM 680 NE2AHIS A 87 -9.326 33.581 39.198 0.50 29.75 N flip ATOM 681 NE2BHIS A 87 -10.858 33.691 39.032 0.50 29.75 N flip ATOM 0 H HIS A 87 -9.513 35.869 44.709 1.00 16.12 H new ATOM 0 HA HIS A 87 -9.866 36.235 42.055 1.00 18.47 H new ATOM 0 HB2AHIS A 87 -9.749 33.814 43.069 0.50 22.31 H new ATOM 0 HB2BHIS A 87 -9.566 33.862 42.693 0.50 22.31 H new ATOM 0 HB3AHIS A 87 -11.282 34.058 42.911 0.50 22.31 H new ATOM 0 HB3BHIS A 87 -11.025 33.963 43.234 0.50 22.31 H new ATOM 0 HD1AHIS A 87 -12.122 33.931 40.288 0.50 29.11 H new ATOM 0 HD2AHIS A 87 -8.276 33.805 40.891 0.50 26.04 H new ATOM 0 HD2BHIS A 87 -9.225 34.216 40.076 0.50 26.04 H new ATOM 0 HE1AHIS A 87 -11.046 33.510 38.158 0.50 31.89 H new ATOM 0 HE1BHIS A 87 -12.816 33.259 38.875 0.50 31.89 H new ATOM 0 HE2BHIS A 87 -10.567 33.615 38.226 0.50 29.75 H new ATOM 682 N PRO A 88 -11.856 37.575 42.557 1.00 18.49 N ATOM 683 CA PRO A 88 -12.878 38.508 43.044 1.00 17.14 C ATOM 684 C PRO A 88 -14.230 37.837 43.280 1.00 17.24 C ATOM 685 O PRO A 88 -14.751 37.137 42.409 1.00 20.39 O ATOM 686 CB PRO A 88 -12.942 39.565 41.941 1.00 19.54 C ATOM 687 CG PRO A 88 -11.587 39.501 41.289 1.00 17.99 C ATOM 688 CD PRO A 88 -11.226 38.048 41.313 1.00 15.09 C ATOM 0 HA PRO A 88 -12.656 38.879 43.912 1.00 17.14 H new ATOM 0 HB2 PRO A 88 -13.650 39.373 41.306 1.00 19.54 H new ATOM 0 HB3 PRO A 88 -13.119 40.447 42.305 1.00 19.54 H new ATOM 0 HG2 PRO A 88 -11.615 39.843 40.382 1.00 17.99 H new ATOM 0 HG3 PRO A 88 -10.937 40.034 41.773 1.00 17.99 H new ATOM 0 HD2 PRO A 88 -11.568 37.579 40.536 1.00 15.09 H new ATOM 0 HD3 PRO A 88 -10.265 37.916 41.324 1.00 15.09 H new ATOM 689 N GLY A 89 -14.718 37.932 44.510 1.00 16.22 N ATOM 690 CA GLY A 89 -15.990 37.328 44.855 1.00 14.24 C ATOM 691 C GLY A 89 -15.900 35.912 45.403 1.00 13.85 C ATOM 692 O GLY A 89 -16.888 35.387 45.908 1.00 16.25 O ATOM 0 H GLY A 89 -14.327 38.342 45.157 1.00 16.22 H new ATOM 0 HA2 GLY A 89 -16.431 37.888 45.513 1.00 14.24 H new ATOM 0 HA3 GLY A 89 -16.554 37.320 44.066 1.00 14.24 H new ATOM 693 N ILE A 90 -14.735 35.285 45.276 1.00 11.58 N ATOM 694 CA ILE A 90 -14.566 33.881 45.649 1.00 10.98 C ATOM 695 C ILE A 90 -13.435 33.708 46.663 1.00 10.66 C ATOM 696 O ILE A 90 -13.652 33.230 47.773 1.00 10.52 O ATOM 697 CB ILE A 90 -14.261 33.005 44.401 1.00 13.73 C ATOM 698 CG1 ILE A 90 -15.422 33.075 43.409 1.00 13.05 C ATOM 699 CG2 ILE A 90 -14.005 31.562 44.812 1.00 12.79 C ATOM 700 CD1 ILE A 90 -15.163 32.324 42.124 1.00 17.68 C ATOM 0 H ILE A 90 -14.022 35.658 44.973 1.00 11.58 H new ATOM 0 HA ILE A 90 -15.401 33.593 46.050 1.00 10.98 H new ATOM 0 HB ILE A 90 -13.462 33.349 43.971 1.00 13.73 H new ATOM 0 HG12 ILE A 90 -16.219 32.717 43.830 1.00 13.05 H new ATOM 0 HG13 ILE A 90 -15.604 34.005 43.201 1.00 13.05 H new ATOM 0 HG21 ILE A 90 -13.817 31.029 44.024 1.00 12.79 H new ATOM 0 HG22 ILE A 90 -13.246 31.527 45.415 1.00 12.79 H new ATOM 0 HG23 ILE A 90 -14.789 31.209 45.260 1.00 12.79 H new ATOM 0 HD11 ILE A 90 -15.933 32.406 41.540 1.00 17.68 H new ATOM 0 HD12 ILE A 90 -14.382 32.695 41.684 1.00 17.68 H new ATOM 0 HD13 ILE A 90 -15.007 31.387 42.322 1.00 17.68 H new ATOM 701 N ILE A 91 -12.217 34.040 46.245 1.00 11.37 N ATOM 702 CA ILE A 91 -11.051 33.965 47.120 1.00 12.96 C ATOM 703 C ILE A 91 -10.577 35.378 47.442 1.00 13.11 C ATOM 704 O ILE A 91 -10.300 36.169 46.539 1.00 9.69 O ATOM 705 CB ILE A 91 -9.874 33.205 46.457 1.00 13.30 C ATOM 706 CG1 ILE A 91 -10.338 31.852 45.909 1.00 12.98 C ATOM 707 CG2 ILE A 91 -8.743 33.019 47.464 1.00 12.66 C ATOM 708 CD1 ILE A 91 -10.604 30.807 46.961 1.00 5.66 C ATOM 0 H ILE A 91 -12.043 34.314 45.449 1.00 11.37 H new ATOM 0 HA ILE A 91 -11.317 33.486 47.921 1.00 12.96 H new ATOM 0 HB ILE A 91 -9.546 33.731 45.711 1.00 13.30 H new ATOM 0 HG12 ILE A 91 -11.147 31.986 45.392 1.00 12.98 H new ATOM 0 HG13 ILE A 91 -9.664 31.515 45.299 1.00 12.98 H new ATOM 0 HG21 ILE A 91 -8.010 32.543 47.043 1.00 12.66 H new ATOM 0 HG22 ILE A 91 -8.433 33.887 47.767 1.00 12.66 H new ATOM 0 HG23 ILE A 91 -9.066 32.509 48.223 1.00 12.66 H new ATOM 0 HD11 ILE A 91 -10.892 29.985 46.535 1.00 5.66 H new ATOM 0 HD12 ILE A 91 -9.792 30.642 47.466 1.00 5.66 H new ATOM 0 HD13 ILE A 91 -11.299 31.121 47.560 1.00 5.66 H new ATOM 709 N PRO A 92 -10.496 35.720 48.739 1.00 15.51 N ATOM 710 CA PRO A 92 -10.034 37.031 49.216 1.00 14.57 C ATOM 711 C PRO A 92 -8.558 37.305 48.909 1.00 13.60 C ATOM 712 O PRO A 92 -7.806 36.397 48.560 1.00 18.93 O ATOM 713 CB PRO A 92 -10.302 36.967 50.721 1.00 17.28 C ATOM 714 CG PRO A 92 -10.287 35.504 51.031 1.00 16.16 C ATOM 715 CD PRO A 92 -10.949 34.872 49.854 1.00 14.27 C ATOM 0 HA PRO A 92 -10.492 37.762 48.772 1.00 14.57 H new ATOM 0 HB2 PRO A 92 -9.622 37.443 51.223 1.00 17.28 H new ATOM 0 HB3 PRO A 92 -11.155 37.369 50.947 1.00 17.28 H new ATOM 0 HG2 PRO A 92 -9.382 35.176 51.147 1.00 16.16 H new ATOM 0 HG3 PRO A 92 -10.766 35.311 51.852 1.00 16.16 H new ATOM 0 HD2 PRO A 92 -10.676 33.948 49.739 1.00 14.27 H new ATOM 0 HD3 PRO A 92 -11.915 34.874 49.939 1.00 14.27 H new ATOM 716 N PRO A 93 -8.125 38.565 49.038 1.00 11.93 N ATOM 717 CA PRO A 93 -6.715 38.915 48.841 1.00 12.76 C ATOM 718 C PRO A 93 -5.771 38.255 49.844 1.00 13.71 C ATOM 719 O PRO A 93 -6.111 38.090 51.015 1.00 15.51 O ATOM 720 CB PRO A 93 -6.708 40.434 48.981 1.00 12.31 C ATOM 721 CG PRO A 93 -8.052 40.835 48.502 1.00 12.94 C ATOM 722 CD PRO A 93 -8.987 39.762 48.996 1.00 12.07 C ATOM 0 HA PRO A 93 -6.386 38.600 47.985 1.00 12.76 H new ATOM 0 HB2 PRO A 93 -6.561 40.707 49.900 1.00 12.31 H new ATOM 0 HB3 PRO A 93 -6.005 40.838 48.449 1.00 12.31 H new ATOM 0 HG2 PRO A 93 -8.302 41.705 48.850 1.00 12.94 H new ATOM 0 HG3 PRO A 93 -8.074 40.900 47.534 1.00 12.94 H new ATOM 0 HD2 PRO A 93 -9.349 39.975 49.870 1.00 12.07 H new ATOM 0 HD3 PRO A 93 -9.742 39.640 48.399 1.00 12.07 H new ATOM 723 N HIS A 94 -4.585 37.883 49.363 1.00 13.08 N ATOM 724 CA HIS A 94 -3.509 37.331 50.198 1.00 13.87 C ATOM 725 C HIS A 94 -3.893 36.067 50.974 1.00 14.29 C ATOM 726 O HIS A 94 -3.324 35.781 52.031 1.00 15.90 O ATOM 727 CB HIS A 94 -2.992 38.392 51.177 1.00 12.34 C ATOM 728 CG HIS A 94 -2.559 39.666 50.518 1.00 16.56 C ATOM 729 ND1 HIS A 94 -1.283 39.862 50.046 1.00 19.29 N ATOM 730 CD2 HIS A 94 -3.246 40.797 50.237 1.00 17.98 C ATOM 731 CE1 HIS A 94 -1.195 41.061 49.499 1.00 17.97 C ATOM 732 NE2 HIS A 94 -2.374 41.649 49.602 1.00 20.66 N ATOM 0 H HIS A 94 -4.377 37.944 48.531 1.00 13.08 H new ATOM 0 HA HIS A 94 -2.812 37.069 49.576 1.00 13.87 H new ATOM 0 HB2 HIS A 94 -3.689 38.592 51.821 1.00 12.34 H new ATOM 0 HB3 HIS A 94 -2.244 38.024 51.673 1.00 12.34 H new ATOM 0 HD2 HIS A 94 -4.139 40.966 50.436 1.00 17.98 H new ATOM 0 HE1 HIS A 94 -0.435 41.428 49.109 1.00 17.97 H new ATOM 0 HE2 HIS A 94 -2.565 42.438 49.318 1.00 20.66 H new ATOM 733 N ALA A 95 -4.790 35.264 50.411 1.00 11.01 N ATOM 734 CA ALA A 95 -5.323 34.102 51.114 1.00 10.14 C ATOM 735 C ALA A 95 -4.435 32.854 51.051 1.00 9.00 C ATOM 736 O ALA A 95 -4.013 32.422 49.978 1.00 13.84 O ATOM 737 CB ALA A 95 -6.716 33.778 50.592 1.00 7.14 C ATOM 0 H ALA A 95 -5.104 35.375 49.618 1.00 11.01 H new ATOM 0 HA ALA A 95 -5.355 34.351 52.051 1.00 10.14 H new ATOM 0 HB1 ALA A 95 -7.066 33.005 51.062 1.00 7.14 H new ATOM 0 HB2 ALA A 95 -7.301 34.538 50.738 1.00 7.14 H new ATOM 0 HB3 ALA A 95 -6.669 33.585 49.643 1.00 7.14 H new ATOM 738 N THR A 96 -4.116 32.299 52.213 1.00 9.96 N ATOM 739 CA THR A 96 -3.536 30.960 52.288 1.00 8.20 C ATOM 740 C THR A 96 -4.654 29.935 52.067 1.00 6.51 C ATOM 741 O THR A 96 -5.711 30.038 52.680 1.00 9.68 O ATOM 742 CB THR A 96 -2.878 30.707 53.668 1.00 8.00 C ATOM 743 OG1 THR A 96 -1.829 31.658 53.880 1.00 8.08 O ATOM 744 CG2 THR A 96 -2.291 29.303 53.742 1.00 5.16 C ATOM 0 H THR A 96 -4.227 32.682 52.975 1.00 9.96 H new ATOM 0 HA THR A 96 -2.849 30.877 51.608 1.00 8.20 H new ATOM 0 HB THR A 96 -3.561 30.800 54.351 1.00 8.00 H new ATOM 0 HG1 THR A 96 -1.113 31.253 54.048 1.00 8.08 H new ATOM 0 HG21 THR A 96 -1.885 29.167 54.613 1.00 5.16 H new ATOM 0 HG22 THR A 96 -2.996 28.650 53.609 1.00 5.16 H new ATOM 0 HG23 THR A 96 -1.618 29.197 53.052 1.00 5.16 H new ATOM 745 N LEU A 97 -4.453 28.991 51.151 1.00 4.93 N ATOM 746 CA LEU A 97 -5.494 28.011 50.830 1.00 2.55 C ATOM 747 C LEU A 97 -5.132 26.632 51.352 1.00 3.18 C ATOM 748 O LEU A 97 -3.965 26.263 51.400 1.00 5.25 O ATOM 749 CB LEU A 97 -5.776 27.922 49.329 1.00 3.98 C ATOM 750 CG LEU A 97 -6.246 29.139 48.562 1.00 2.24 C ATOM 751 CD1 LEU A 97 -6.584 28.741 47.131 1.00 2.00 C ATOM 752 CD2 LEU A 97 -7.516 29.771 49.279 1.00 2.00 C ATOM 0 H LEU A 97 -3.724 28.899 50.704 1.00 4.93 H new ATOM 0 HA LEU A 97 -6.299 28.325 51.271 1.00 2.55 H new ATOM 0 HB2 LEU A 97 -4.962 27.612 48.903 1.00 3.98 H new ATOM 0 HB3 LEU A 97 -6.443 27.229 49.204 1.00 3.98 H new ATOM 0 HG LEU A 97 -5.539 29.803 48.544 1.00 2.24 H new ATOM 0 HD11 LEU A 97 -6.885 29.522 46.640 1.00 2.00 H new ATOM 0 HD12 LEU A 97 -5.795 28.374 46.702 1.00 2.00 H new ATOM 0 HD13 LEU A 97 -7.287 28.073 47.138 1.00 2.00 H new ATOM 0 HD21 LEU A 97 -7.813 30.550 48.784 1.00 2.00 H new ATOM 0 HD22 LEU A 97 -8.231 29.116 49.309 1.00 2.00 H new ATOM 0 HD23 LEU A 97 -7.281 30.033 50.183 1.00 2.00 H new ATOM 753 N VAL A 98 -6.154 25.849 51.658 1.00 2.63 N ATOM 754 CA VAL A 98 -5.930 24.489 52.095 1.00 2.86 C ATOM 755 C VAL A 98 -6.771 23.533 51.259 1.00 3.29 C ATOM 756 O VAL A 98 -7.985 23.692 51.140 1.00 2.39 O ATOM 757 CB VAL A 98 -6.252 24.337 53.602 1.00 2.38 C ATOM 758 CG1 VAL A 98 -6.092 22.891 54.043 1.00 2.00 C ATOM 759 CG2 VAL A 98 -5.321 25.230 54.421 1.00 3.47 C ATOM 0 H VAL A 98 -6.980 26.087 51.619 1.00 2.63 H new ATOM 0 HA VAL A 98 -4.994 24.269 51.970 1.00 2.86 H new ATOM 0 HB VAL A 98 -7.173 24.605 53.749 1.00 2.38 H new ATOM 0 HG11 VAL A 98 -6.298 22.816 54.988 1.00 2.00 H new ATOM 0 HG12 VAL A 98 -6.698 22.329 53.535 1.00 2.00 H new ATOM 0 HG13 VAL A 98 -5.178 22.604 53.888 1.00 2.00 H new ATOM 0 HG21 VAL A 98 -5.526 25.132 55.364 1.00 3.47 H new ATOM 0 HG22 VAL A 98 -4.400 24.970 54.262 1.00 3.47 H new ATOM 0 HG23 VAL A 98 -5.446 26.155 54.158 1.00 3.47 H new ATOM 760 N PHE A 99 -6.091 22.638 50.556 1.00 3.92 N ATOM 761 CA PHE A 99 -6.771 21.646 49.732 1.00 4.95 C ATOM 762 C PHE A 99 -6.563 20.241 50.280 1.00 6.16 C ATOM 763 O PHE A 99 -5.443 19.854 50.619 1.00 5.78 O ATOM 764 CB PHE A 99 -6.264 21.702 48.288 1.00 6.08 C ATOM 765 CG PHE A 99 -6.776 22.881 47.502 1.00 7.56 C ATOM 766 CD1 PHE A 99 -7.960 22.788 46.774 1.00 8.91 C ATOM 767 CD2 PHE A 99 -6.024 24.049 47.411 1.00 7.58 C ATOM 768 CE1 PHE A 99 -8.384 23.842 45.954 1.00 4.05 C ATOM 769 CE2 PHE A 99 -6.442 25.105 46.595 1.00 5.77 C ATOM 770 CZ PHE A 99 -7.621 24.997 45.865 1.00 2.00 C ATOM 0 H PHE A 99 -5.233 22.587 50.542 1.00 3.92 H new ATOM 0 HA PHE A 99 -7.718 21.855 49.750 1.00 4.95 H new ATOM 0 HB2 PHE A 99 -5.294 21.728 48.297 1.00 6.08 H new ATOM 0 HB3 PHE A 99 -6.522 20.885 47.833 1.00 6.08 H new ATOM 0 HD1 PHE A 99 -8.476 22.016 46.833 1.00 8.91 H new ATOM 0 HD2 PHE A 99 -5.236 24.128 47.898 1.00 7.58 H new ATOM 0 HE1 PHE A 99 -9.175 23.767 45.471 1.00 4.05 H new ATOM 0 HE2 PHE A 99 -5.931 25.880 46.540 1.00 5.77 H new ATOM 0 HZ PHE A 99 -7.897 25.697 45.319 1.00 2.00 H new ATOM 771 N ASP A 100 -7.667 19.530 50.468 1.00 5.70 N ATOM 772 CA ASP A 100 -7.644 18.087 50.687 1.00 6.39 C ATOM 773 C ASP A 100 -7.749 17.419 49.316 1.00 6.55 C ATOM 774 O ASP A 100 -8.807 17.457 48.688 1.00 6.30 O ATOM 775 CB ASP A 100 -8.837 17.686 51.563 1.00 5.79 C ATOM 776 CG ASP A 100 -8.905 16.193 51.846 1.00 5.52 C ATOM 777 OD1 ASP A 100 -8.103 15.407 51.304 1.00 8.79 O ATOM 778 OD2 ASP A 100 -9.775 15.799 52.639 1.00 10.40 O ATOM 0 H ASP A 100 -8.456 19.872 50.472 1.00 5.70 H new ATOM 0 HA ASP A 100 -6.829 17.813 51.136 1.00 6.39 H new ATOM 0 HB2 ASP A 100 -8.787 18.166 52.405 1.00 5.79 H new ATOM 0 HB3 ASP A 100 -9.658 17.963 51.126 1.00 5.79 H new ATOM 779 N VAL A 101 -6.652 16.837 48.841 1.00 8.84 N ATOM 780 CA VAL A 101 -6.634 16.237 47.505 1.00 6.55 C ATOM 781 C VAL A 101 -6.061 14.816 47.484 1.00 7.62 C ATOM 782 O VAL A 101 -5.066 14.514 48.142 1.00 8.98 O ATOM 783 CB VAL A 101 -5.906 17.169 46.443 1.00 4.06 C ATOM 784 CG1 VAL A 101 -5.050 18.202 47.128 1.00 2.00 C ATOM 785 CG2 VAL A 101 -5.069 16.355 45.465 1.00 2.00 C ATOM 0 H VAL A 101 -5.910 16.778 49.272 1.00 8.84 H new ATOM 0 HA VAL A 101 -7.565 16.159 47.243 1.00 6.55 H new ATOM 0 HB VAL A 101 -6.598 17.625 45.939 1.00 4.06 H new ATOM 0 HG11 VAL A 101 -4.617 18.758 46.461 1.00 2.00 H new ATOM 0 HG12 VAL A 101 -5.605 18.756 47.699 1.00 2.00 H new ATOM 0 HG13 VAL A 101 -4.376 17.759 47.666 1.00 2.00 H new ATOM 0 HG21 VAL A 101 -4.639 16.951 44.832 1.00 2.00 H new ATOM 0 HG22 VAL A 101 -4.392 15.859 45.952 1.00 2.00 H new ATOM 0 HG23 VAL A 101 -5.642 15.735 44.987 1.00 2.00 H new ATOM 786 N GLU A 102 -6.803 13.923 46.839 1.00 6.83 N ATOM 787 CA GLU A 102 -6.437 12.517 46.719 1.00 6.76 C ATOM 788 C GLU A 102 -6.139 12.186 45.254 1.00 6.00 C ATOM 789 O GLU A 102 -6.994 12.366 44.389 1.00 8.36 O ATOM 790 CB GLU A 102 -7.592 11.641 47.215 1.00 8.90 C ATOM 791 CG GLU A 102 -7.263 10.158 47.272 1.00 15.85 C ATOM 792 CD GLU A 102 -8.476 9.275 47.542 1.00 19.29 C ATOM 793 OE1 GLU A 102 -9.567 9.800 47.863 1.00 21.12 O ATOM 794 OE2 GLU A 102 -8.328 8.040 47.434 1.00 19.82 O ATOM 0 H GLU A 102 -7.545 14.120 46.452 1.00 6.83 H new ATOM 0 HA GLU A 102 -5.647 12.345 47.256 1.00 6.76 H new ATOM 0 HB2 GLU A 102 -7.855 11.939 48.100 1.00 8.90 H new ATOM 0 HB3 GLU A 102 -8.357 11.771 46.633 1.00 8.90 H new ATOM 0 HG2 GLU A 102 -6.859 9.891 46.432 1.00 15.85 H new ATOM 0 HG3 GLU A 102 -6.602 10.007 47.965 1.00 15.85 H new ATOM 795 N LEU A 103 -4.937 11.691 44.983 1.00 6.33 N ATOM 796 CA LEU A 103 -4.537 11.352 43.621 1.00 7.26 C ATOM 797 C LEU A 103 -5.048 9.964 43.246 1.00 9.39 C ATOM 798 O LEU A 103 -4.444 8.950 43.603 1.00 8.49 O ATOM 799 CB LEU A 103 -3.012 11.407 43.495 1.00 10.58 C ATOM 800 CG LEU A 103 -2.396 11.109 42.126 1.00 10.00 C ATOM 801 CD1 LEU A 103 -2.887 12.122 41.097 1.00 9.27 C ATOM 802 CD2 LEU A 103 -0.879 11.154 42.238 1.00 9.41 C ATOM 0 H LEU A 103 -4.334 11.543 45.578 1.00 6.33 H new ATOM 0 HA LEU A 103 -4.927 11.998 43.011 1.00 7.26 H new ATOM 0 HB2 LEU A 103 -2.723 12.293 43.765 1.00 10.58 H new ATOM 0 HB3 LEU A 103 -2.638 10.779 44.133 1.00 10.58 H new ATOM 0 HG LEU A 103 -2.667 10.225 41.834 1.00 10.00 H new ATOM 0 HD11 LEU A 103 -2.491 11.924 40.234 1.00 9.27 H new ATOM 0 HD12 LEU A 103 -3.853 12.071 41.028 1.00 9.27 H new ATOM 0 HD13 LEU A 103 -2.629 13.015 41.374 1.00 9.27 H new ATOM 0 HD21 LEU A 103 -0.485 10.966 41.372 1.00 9.41 H new ATOM 0 HD22 LEU A 103 -0.602 12.035 42.534 1.00 9.41 H new ATOM 0 HD23 LEU A 103 -0.582 10.490 42.879 1.00 9.41 H new ATOM 803 N LEU A 104 -6.162 9.923 42.522 1.00 8.00 N ATOM 804 CA LEU A 104 -6.851 8.668 42.237 1.00 9.41 C ATOM 805 C LEU A 104 -6.126 7.801 41.210 1.00 14.18 C ATOM 806 O LEU A 104 -6.010 6.587 41.388 1.00 15.60 O ATOM 807 CB LEU A 104 -8.275 8.953 41.756 1.00 6.18 C ATOM 808 CG LEU A 104 -9.214 9.632 42.755 1.00 6.42 C ATOM 809 CD1 LEU A 104 -10.424 10.172 42.032 1.00 2.00 C ATOM 810 CD2 LEU A 104 -9.626 8.642 43.832 1.00 5.11 C ATOM 0 H LEU A 104 -6.539 10.618 42.183 1.00 8.00 H new ATOM 0 HA LEU A 104 -6.868 8.167 43.067 1.00 9.41 H new ATOM 0 HB2 LEU A 104 -8.221 9.510 40.964 1.00 6.18 H new ATOM 0 HB3 LEU A 104 -8.677 8.113 41.485 1.00 6.18 H new ATOM 0 HG LEU A 104 -8.753 10.372 43.180 1.00 6.42 H new ATOM 0 HD11 LEU A 104 -11.017 10.602 42.669 1.00 2.00 H new ATOM 0 HD12 LEU A 104 -10.142 10.819 41.366 1.00 2.00 H new ATOM 0 HD13 LEU A 104 -10.892 9.443 41.596 1.00 2.00 H new ATOM 0 HD21 LEU A 104 -10.221 9.078 44.462 1.00 5.11 H new ATOM 0 HD22 LEU A 104 -10.083 7.890 43.423 1.00 5.11 H new ATOM 0 HD23 LEU A 104 -8.837 8.325 44.299 1.00 5.11 H new ATOM 811 N LYS A 105 -5.721 8.409 40.096 1.00 18.41 N ATOM 812 CA LYS A 105 -4.952 7.717 39.060 1.00 18.15 C ATOM 813 C LYS A 105 -4.264 8.650 38.073 1.00 18.45 C ATOM 814 O LYS A 105 -4.558 9.844 38.012 1.00 17.83 O ATOM 815 CB LYS A 105 -5.836 6.722 38.292 1.00 20.37 C ATOM 816 CG LYS A 105 -7.078 7.312 37.663 1.00 22.61 C ATOM 817 CD LYS A 105 -7.948 6.216 37.077 1.00 25.76 C ATOM 818 CE LYS A 105 -9.202 6.781 36.421 1.00 32.95 C ATOM 819 NZ LYS A 105 -10.086 7.521 37.372 1.00 35.86 N ATOM 0 H LYS A 105 -5.884 9.235 39.919 1.00 18.41 H new ATOM 0 HA LYS A 105 -4.251 7.244 39.536 1.00 18.15 H new ATOM 0 HB2 LYS A 105 -5.303 6.310 37.594 1.00 20.37 H new ATOM 0 HB3 LYS A 105 -6.104 6.015 38.899 1.00 20.37 H new ATOM 0 HG2 LYS A 105 -7.579 7.809 38.328 1.00 22.61 H new ATOM 0 HG3 LYS A 105 -6.828 7.940 36.968 1.00 22.61 H new ATOM 0 HD2 LYS A 105 -7.438 5.714 36.422 1.00 25.76 H new ATOM 0 HD3 LYS A 105 -8.201 5.594 37.777 1.00 25.76 H new ATOM 0 HE2 LYS A 105 -8.942 7.377 35.701 1.00 32.95 H new ATOM 0 HE3 LYS A 105 -9.705 6.055 36.021 1.00 32.95 H new ATOM 0 HZ1 LYS A 105 -10.770 7.877 36.927 1.00 35.86 H new ATOM 0 HZ2 LYS A 105 -10.395 6.959 37.989 1.00 35.86 H new ATOM 0 HZ3 LYS A 105 -9.621 8.169 37.767 1.00 35.86 H new ATOM 820 N LEU A 106 -3.323 8.100 37.318 1.00 20.35 N ATOM 821 CA LEU A 106 -2.595 8.853 36.307 1.00 21.85 C ATOM 822 C LEU A 106 -2.967 8.381 34.907 1.00 24.33 C ATOM 823 O LEU A 106 -3.120 7.185 34.673 1.00 26.57 O ATOM 824 CB LEU A 106 -1.090 8.690 36.521 1.00 23.03 C ATOM 825 CG LEU A 106 -0.313 9.854 37.144 1.00 24.50 C ATOM 826 CD1 LEU A 106 -1.157 10.579 38.183 1.00 23.31 C ATOM 827 CD2 LEU A 106 0.963 9.311 37.763 1.00 22.06 C ATOM 0 H LEU A 106 -3.087 7.275 37.378 1.00 20.35 H new ATOM 0 HA LEU A 106 -2.836 9.789 36.392 1.00 21.85 H new ATOM 0 HB2 LEU A 106 -0.954 7.910 37.082 1.00 23.03 H new ATOM 0 HB3 LEU A 106 -0.689 8.494 35.660 1.00 23.03 H new ATOM 0 HG LEU A 106 -0.090 10.500 36.456 1.00 24.50 H new ATOM 0 HD11 LEU A 106 -0.645 11.310 38.563 1.00 23.31 H new ATOM 0 HD12 LEU A 106 -1.958 10.929 37.762 1.00 23.31 H new ATOM 0 HD13 LEU A 106 -1.407 9.960 38.887 1.00 23.31 H new ATOM 0 HD21 LEU A 106 1.465 10.039 38.161 1.00 22.06 H new ATOM 0 HD22 LEU A 106 0.740 8.660 38.447 1.00 22.06 H new ATOM 0 HD23 LEU A 106 1.501 8.886 37.076 1.00 22.06 H new ATOM 828 N GLU A 107 -3.145 9.328 33.993 1.00 28.97 N ATOM 829 CA GLU A 107 -3.472 9.029 32.602 1.00 30.26 C ATOM 830 C GLU A 107 -2.584 9.855 31.661 1.00 33.13 C ATOM 831 O GLU A 107 -1.452 10.210 32.066 1.00 35.65 O ATOM 832 CB GLU A 107 -4.956 9.327 32.335 1.00 29.62 C ATOM 833 CG GLU A 107 -5.926 8.523 33.202 1.00 31.01 C ATOM 834 CD GLU A 107 -7.381 8.953 33.047 1.00 33.15 C ATOM 835 OE1 GLU A 107 -7.650 10.018 32.449 1.00 33.84 O ATOM 836 OE2 GLU A 107 -8.264 8.222 33.540 1.00 35.65 O ATOM 837 OXT GLU A 107 -3.012 10.136 30.522 1.00 35.25 O ATOM 0 H GLU A 107 -3.079 10.168 34.163 1.00 28.97 H new ATOM 0 HA GLU A 107 -3.308 8.088 32.435 1.00 30.26 H new ATOM 0 HB2 GLU A 107 -5.116 10.273 32.481 1.00 29.62 H new ATOM 0 HB3 GLU A 107 -5.148 9.147 31.401 1.00 29.62 H new ATOM 0 HG2 GLU A 107 -5.848 7.583 32.975 1.00 31.01 H new ATOM 0 HG3 GLU A 107 -5.667 8.613 34.133 1.00 31.01 H new TER 838 GLU A 107 ATOM 839 N VAL B2019 -14.685 34.183 6.568 1.00 26.14 N ATOM 840 CA VAL B2019 -13.838 32.953 6.551 1.00 22.92 C ATOM 841 C VAL B2019 -14.674 31.726 6.937 1.00 21.72 C ATOM 842 O VAL B2019 -15.798 31.875 7.406 1.00 22.29 O ATOM 843 CB VAL B2019 -12.629 33.105 7.518 1.00 26.40 C ATOM 844 CG1 VAL B2019 -13.013 32.681 8.938 1.00 26.01 C ATOM 845 CG2 VAL B2019 -11.437 32.309 7.002 1.00 24.29 C ATOM 0 HA VAL B2019 -13.497 32.829 5.651 1.00 22.92 H new ATOM 0 HB VAL B2019 -12.373 34.040 7.552 1.00 26.40 H new ATOM 0 HG11 VAL B2019 -12.247 32.783 9.525 1.00 26.01 H new ATOM 0 HG12 VAL B2019 -13.740 33.238 9.257 1.00 26.01 H new ATOM 0 HG13 VAL B2019 -13.295 31.753 8.934 1.00 26.01 H new ATOM 0 HG21 VAL B2019 -10.690 32.412 7.613 1.00 24.29 H new ATOM 0 HG22 VAL B2019 -11.677 31.371 6.939 1.00 24.29 H new ATOM 0 HG23 VAL B2019 -11.184 32.637 6.125 1.00 24.29 H new ATOM 846 N ALA B2020 -14.159 30.531 6.667 1.00 18.95 N ATOM 847 CA ALA B2020 -14.867 29.293 6.989 1.00 15.08 C ATOM 848 C ALA B2020 -14.236 28.569 8.184 1.00 14.75 C ATOM 849 O ALA B2020 -13.029 28.307 8.200 1.00 11.18 O ATOM 850 CB ALA B2020 -14.885 28.377 5.774 1.00 12.96 C ATOM 0 H ALA B2020 -13.393 30.413 6.294 1.00 18.95 H new ATOM 0 HA ALA B2020 -15.776 29.527 7.235 1.00 15.08 H new ATOM 0 HB1 ALA B2020 -15.356 27.558 5.993 1.00 12.96 H new ATOM 0 HB2 ALA B2020 -15.336 28.822 5.040 1.00 12.96 H new ATOM 0 HB3 ALA B2020 -13.975 28.167 5.514 1.00 12.96 H new ATOM 851 N ILE B2021 -15.043 28.299 9.205 1.00 12.83 N ATOM 852 CA ILE B2021 -14.549 27.608 10.391 1.00 11.05 C ATOM 853 C ILE B2021 -15.561 26.612 10.956 1.00 9.75 C ATOM 854 O ILE B2021 -16.762 26.877 11.009 1.00 9.45 O ATOM 855 CB ILE B2021 -14.121 28.614 11.495 1.00 8.74 C ATOM 856 CG1 ILE B2021 -13.342 27.890 12.597 1.00 13.43 C ATOM 857 CG2 ILE B2021 -15.337 29.327 12.060 1.00 10.72 C ATOM 858 CD1 ILE B2021 -12.608 28.817 13.550 1.00 16.11 C ATOM 0 H ILE B2021 -15.877 28.507 9.231 1.00 12.83 H new ATOM 0 HA ILE B2021 -13.771 27.105 10.104 1.00 11.05 H new ATOM 0 HB ILE B2021 -13.538 29.283 11.103 1.00 8.74 H new ATOM 0 HG12 ILE B2021 -13.957 27.340 13.106 1.00 13.43 H new ATOM 0 HG13 ILE B2021 -12.700 27.291 12.185 1.00 13.43 H new ATOM 0 HG21 ILE B2021 -15.056 29.951 12.747 1.00 10.72 H new ATOM 0 HG22 ILE B2021 -15.788 29.810 11.350 1.00 10.72 H new ATOM 0 HG23 ILE B2021 -15.945 28.676 12.444 1.00 10.72 H new ATOM 0 HD11 ILE B2021 -12.140 28.291 14.217 1.00 16.11 H new ATOM 0 HD12 ILE B2021 -11.969 29.352 13.054 1.00 16.11 H new ATOM 0 HD13 ILE B2021 -13.246 29.401 13.989 1.00 16.11 H new ATOM 859 N LEU B2022 -15.071 25.439 11.333 1.00 6.35 N ATOM 860 CA LEU B2022 -15.902 24.439 11.986 1.00 7.08 C ATOM 861 C LEU B2022 -16.335 24.914 13.378 1.00 7.68 C ATOM 862 O LEU B2022 -15.507 25.336 14.178 1.00 9.49 O ATOM 863 CB LEU B2022 -15.130 23.120 12.103 1.00 7.68 C ATOM 864 CG LEU B2022 -14.976 22.261 10.845 1.00 7.01 C ATOM 865 CD1 LEU B2022 -14.161 21.027 11.166 1.00 6.25 C ATOM 866 CD2 LEU B2022 -16.341 21.868 10.318 1.00 5.49 C ATOM 0 H LEU B2022 -14.253 25.201 11.218 1.00 6.35 H new ATOM 0 HA LEU B2022 -16.698 24.302 11.448 1.00 7.08 H new ATOM 0 HB2 LEU B2022 -14.241 23.325 12.433 1.00 7.68 H new ATOM 0 HB3 LEU B2022 -15.567 22.580 12.780 1.00 7.68 H new ATOM 0 HG LEU B2022 -14.515 22.773 10.162 1.00 7.01 H new ATOM 0 HD11 LEU B2022 -14.065 20.485 10.367 1.00 6.25 H new ATOM 0 HD12 LEU B2022 -13.284 21.292 11.483 1.00 6.25 H new ATOM 0 HD13 LEU B2022 -14.611 20.512 11.854 1.00 6.25 H new ATOM 0 HD21 LEU B2022 -16.236 21.324 9.522 1.00 5.49 H new ATOM 0 HD22 LEU B2022 -16.816 21.361 10.995 1.00 5.49 H new ATOM 0 HD23 LEU B2022 -16.846 22.667 10.100 1.00 5.49 H new ATOM 867 N TRP B2023 -17.615 24.768 13.696 1.00 9.42 N ATOM 868 CA TRP B2023 -18.131 25.166 15.005 1.00 11.23 C ATOM 869 C TRP B2023 -17.391 24.463 16.136 1.00 14.53 C ATOM 870 O TRP B2023 -17.056 25.077 17.145 1.00 15.20 O ATOM 871 CB TRP B2023 -19.627 24.871 15.099 1.00 8.29 C ATOM 872 CG TRP B2023 -20.480 25.896 14.412 1.00 8.55 C ATOM 873 CD1 TRP B2023 -20.048 26.929 13.625 1.00 5.38 C ATOM 874 CD2 TRP B2023 -21.911 26.013 14.480 1.00 3.37 C ATOM 875 NE1 TRP B2023 -21.119 27.682 13.210 1.00 4.78 N ATOM 876 CE2 TRP B2023 -22.269 27.147 13.721 1.00 4.08 C ATOM 877 CE3 TRP B2023 -22.917 25.268 15.108 1.00 2.35 C ATOM 878 CZ2 TRP B2023 -23.600 27.559 13.575 1.00 2.00 C ATOM 879 CZ3 TRP B2023 -24.243 25.682 14.960 1.00 4.10 C ATOM 880 CH2 TRP B2023 -24.568 26.818 14.200 1.00 2.69 C ATOM 0 H TRP B2023 -18.207 24.439 13.166 1.00 9.42 H new ATOM 0 HA TRP B2023 -17.986 26.121 15.099 1.00 11.23 H new ATOM 0 HB2 TRP B2023 -19.803 24.000 14.710 1.00 8.29 H new ATOM 0 HB3 TRP B2023 -19.882 24.821 16.034 1.00 8.29 H new ATOM 0 HD1 TRP B2023 -19.160 27.096 13.404 1.00 5.38 H new ATOM 0 HE1 TRP B2023 -21.074 28.379 12.708 1.00 4.78 H new ATOM 0 HE3 TRP B2023 -22.707 24.515 15.612 1.00 2.35 H new ATOM 0 HZ2 TRP B2023 -23.819 28.310 13.071 1.00 2.00 H new ATOM 0 HZ3 TRP B2023 -24.922 25.198 15.371 1.00 4.10 H new ATOM 0 HH2 TRP B2023 -25.459 27.072 14.120 1.00 2.69 H new ATOM 881 N HIS B2024 -16.974 23.229 15.868 1.00 17.74 N ATOM 882 CA HIS B2024 -16.168 22.448 16.807 1.00 19.31 C ATOM 883 C HIS B2024 -14.882 23.197 17.184 1.00 18.54 C ATOM 884 O HIS B2024 -14.572 23.377 18.362 1.00 19.17 O ATOM 885 CB HIS B2024 -15.828 21.071 16.200 1.00 20.95 C ATOM 886 CG HIS B2024 -17.026 20.290 15.741 1.00 27.09 C ATOM 887 ND1 HIS B2024 -17.458 20.280 14.429 1.00 28.02 N ATOM 888 CD2 HIS B2024 -17.912 19.522 16.429 1.00 28.73 C ATOM 889 CE1 HIS B2024 -18.558 19.552 14.330 1.00 28.13 C ATOM 890 NE2 HIS B2024 -18.851 19.081 15.527 1.00 28.11 N ATOM 0 H HIS B2024 -17.151 22.818 15.134 1.00 17.74 H new ATOM 0 HA HIS B2024 -16.687 22.316 17.615 1.00 19.31 H new ATOM 0 HB2 HIS B2024 -15.230 21.199 15.447 1.00 20.95 H new ATOM 0 HB3 HIS B2024 -15.346 20.548 16.859 1.00 20.95 H new ATOM 0 HD2 HIS B2024 -17.887 19.331 17.339 1.00 28.73 H new ATOM 0 HE1 HIS B2024 -19.042 19.399 13.551 1.00 28.13 H new ATOM 0 HE2 HIS B2024 -19.523 18.578 15.713 1.00 28.11 H new ATOM 891 N GLU B2025 -14.224 23.754 16.174 1.00 19.71 N ATOM 892 CA GLU B2025 -12.944 24.433 16.346 1.00 18.44 C ATOM 893 C GLU B2025 -13.133 25.837 16.918 1.00 18.41 C ATOM 894 O GLU B2025 -12.419 26.248 17.836 1.00 20.59 O ATOM 895 CB GLU B2025 -12.236 24.515 14.996 1.00 22.10 C ATOM 896 CG GLU B2025 -10.759 24.834 15.067 1.00 28.78 C ATOM 897 CD GLU B2025 -10.091 24.743 13.706 1.00 33.67 C ATOM 898 OE1 GLU B2025 -10.073 23.633 13.125 1.00 31.37 O ATOM 899 OE2 GLU B2025 -9.619 25.787 13.201 1.00 35.15 O ATOM 0 H GLU B2025 -14.509 23.749 15.363 1.00 19.71 H new ATOM 0 HA GLU B2025 -12.407 23.925 16.974 1.00 18.44 H new ATOM 0 HB2 GLU B2025 -12.349 23.669 14.535 1.00 22.10 H new ATOM 0 HB3 GLU B2025 -12.674 25.192 14.457 1.00 22.10 H new ATOM 0 HG2 GLU B2025 -10.639 25.727 15.426 1.00 28.78 H new ATOM 0 HG3 GLU B2025 -10.326 24.221 15.681 1.00 28.78 H new ATOM 900 N MET B2026 -14.154 26.526 16.414 1.00 16.22 N ATOM 901 CA MET B2026 -14.521 27.881 16.835 1.00 14.29 C ATOM 902 C MET B2026 -14.782 27.983 18.340 1.00 11.65 C ATOM 903 O MET B2026 -14.213 28.833 19.024 1.00 12.47 O ATOM 904 CB MET B2026 -15.762 28.319 16.050 1.00 16.31 C ATOM 905 CG MET B2026 -16.435 29.594 16.511 1.00 18.88 C ATOM 906 SD MET B2026 -18.106 29.697 15.817 1.00 25.40 S ATOM 907 CE MET B2026 -18.148 31.400 15.282 1.00 27.34 C ATOM 0 H MET B2026 -14.668 26.211 15.801 1.00 16.22 H new ATOM 0 HA MET B2026 -13.772 28.468 16.647 1.00 14.29 H new ATOM 0 HB2 MET B2026 -15.510 28.427 15.119 1.00 16.31 H new ATOM 0 HB3 MET B2026 -16.413 27.601 16.086 1.00 16.31 H new ATOM 0 HG2 MET B2026 -16.477 29.615 17.480 1.00 18.88 H new ATOM 0 HG3 MET B2026 -15.913 30.363 16.233 1.00 18.88 H new ATOM 0 HE1 MET B2026 -18.902 31.850 15.693 1.00 27.34 H new ATOM 0 HE2 MET B2026 -17.326 31.842 15.545 1.00 27.34 H new ATOM 0 HE3 MET B2026 -18.239 31.434 14.317 1.00 27.34 H new ATOM 908 N TRP B2027 -15.551 27.037 18.865 1.00 10.96 N ATOM 909 CA TRP B2027 -15.862 27.006 20.287 1.00 7.67 C ATOM 910 C TRP B2027 -14.696 26.550 21.159 1.00 11.33 C ATOM 911 O TRP B2027 -14.525 27.032 22.280 1.00 12.48 O ATOM 912 CB TRP B2027 -17.080 26.122 20.532 1.00 4.75 C ATOM 913 CG TRP B2027 -18.357 26.884 20.437 1.00 4.13 C ATOM 914 CD1 TRP B2027 -19.245 26.871 19.404 1.00 6.35 C ATOM 915 CD2 TRP B2027 -18.850 27.838 21.386 1.00 5.40 C ATOM 916 NE1 TRP B2027 -20.263 27.769 19.642 1.00 3.77 N ATOM 917 CE2 TRP B2027 -20.045 28.378 20.847 1.00 7.08 C ATOM 918 CE3 TRP B2027 -18.405 28.292 22.635 1.00 5.20 C ATOM 919 CZ2 TRP B2027 -20.792 29.355 21.518 1.00 8.16 C ATOM 920 CZ3 TRP B2027 -19.150 29.259 23.304 1.00 2.00 C ATOM 921 CH2 TRP B2027 -20.329 29.781 22.741 1.00 7.36 C ATOM 0 H TRP B2027 -15.905 26.399 18.410 1.00 10.96 H new ATOM 0 HA TRP B2027 -16.053 27.921 20.548 1.00 7.67 H new ATOM 0 HB2 TRP B2027 -17.088 25.399 19.886 1.00 4.75 H new ATOM 0 HB3 TRP B2027 -17.012 25.716 21.411 1.00 4.75 H new ATOM 0 HD1 TRP B2027 -19.175 26.334 18.648 1.00 6.35 H new ATOM 0 HE1 TRP B2027 -20.927 27.922 19.118 1.00 3.77 H new ATOM 0 HE3 TRP B2027 -17.625 27.953 23.011 1.00 5.20 H new ATOM 0 HZ2 TRP B2027 -21.572 29.703 21.150 1.00 8.16 H new ATOM 0 HZ3 TRP B2027 -18.864 29.564 24.135 1.00 2.00 H new ATOM 0 HH2 TRP B2027 -20.806 30.429 23.207 1.00 7.36 H new ATOM 922 N HIS B2028 -13.842 25.692 20.613 1.00 11.53 N ATOM 923 CA HIS B2028 -12.657 25.238 21.334 1.00 12.64 C ATOM 924 C HIS B2028 -11.714 26.396 21.652 1.00 15.53 C ATOM 925 O HIS B2028 -11.371 26.632 22.816 1.00 17.13 O ATOM 926 CB HIS B2028 -11.911 24.182 20.517 1.00 13.55 C ATOM 927 CG HIS B2028 -10.817 23.497 21.273 1.00 13.76 C ATOM 928 ND1 HIS B2028 -9.557 24.037 21.419 1.00 13.28 N ATOM 929 CD2 HIS B2028 -10.804 22.327 21.958 1.00 16.26 C ATOM 930 CE1 HIS B2028 -8.820 23.236 22.166 1.00 13.26 C ATOM 931 NE2 HIS B2028 -9.552 22.193 22.507 1.00 17.51 N ATOM 0 H HIS B2028 -13.930 25.360 19.825 1.00 11.53 H new ATOM 0 HA HIS B2028 -12.957 24.851 22.171 1.00 12.64 H new ATOM 0 HB2 HIS B2028 -12.545 23.516 20.208 1.00 13.55 H new ATOM 0 HB3 HIS B2028 -11.534 24.602 19.728 1.00 13.55 H new ATOM 0 HD2 HIS B2028 -11.510 21.728 22.041 1.00 16.26 H new ATOM 0 HE1 HIS B2028 -7.935 23.382 22.410 1.00 13.26 H new ATOM 0 HE2 HIS B2028 -9.288 21.535 22.994 1.00 17.51 H new ATOM 932 N GLU B2029 -11.270 27.093 20.611 1.00 14.34 N ATOM 933 CA GLU B2029 -10.364 28.227 20.778 1.00 16.35 C ATOM 934 C GLU B2029 -11.033 29.416 21.473 1.00 17.52 C ATOM 935 O GLU B2029 -10.398 30.123 22.257 1.00 20.33 O ATOM 936 CB GLU B2029 -9.808 28.664 19.423 1.00 21.05 C ATOM 937 CG GLU B2029 -10.870 28.896 18.362 1.00 31.02 C ATOM 938 CD GLU B2029 -10.292 29.340 17.031 1.00 36.58 C ATOM 939 OE1 GLU B2029 -9.350 28.679 16.535 1.00 35.09 O ATOM 940 OE2 GLU B2029 -10.799 30.340 16.473 1.00 39.62 O ATOM 0 H GLU B2029 -11.482 26.925 19.795 1.00 14.34 H new ATOM 0 HA GLU B2029 -9.640 27.928 21.349 1.00 16.35 H new ATOM 0 HB2 GLU B2029 -9.299 29.481 19.541 1.00 21.05 H new ATOM 0 HB3 GLU B2029 -9.189 27.988 19.105 1.00 21.05 H new ATOM 0 HG2 GLU B2029 -11.375 28.078 18.233 1.00 31.02 H new ATOM 0 HG3 GLU B2029 -11.494 29.568 18.678 1.00 31.02 H new ATOM 941 N GLY B2030 -12.326 29.599 21.218 1.00 17.46 N ATOM 942 CA GLY B2030 -13.082 30.650 21.882 1.00 16.17 C ATOM 943 C GLY B2030 -13.130 30.511 23.396 1.00 17.32 C ATOM 944 O GLY B2030 -12.791 31.446 24.127 1.00 17.16 O ATOM 0 H GLY B2030 -12.782 29.125 20.664 1.00 17.46 H new ATOM 0 HA2 GLY B2030 -12.691 31.509 21.657 1.00 16.17 H new ATOM 0 HA3 GLY B2030 -13.989 30.652 21.537 1.00 16.17 H new ATOM 945 N LEU B2031 -13.472 29.314 23.862 1.00 16.62 N ATOM 946 CA LEU B2031 -13.537 29.025 25.294 1.00 13.86 C ATOM 947 C LEU B2031 -12.178 29.083 25.991 1.00 13.97 C ATOM 948 O LEU B2031 -12.066 29.598 27.106 1.00 17.16 O ATOM 949 CB LEU B2031 -14.182 27.657 25.516 1.00 11.08 C ATOM 950 CG LEU B2031 -15.689 27.658 25.260 1.00 8.84 C ATOM 951 CD1 LEU B2031 -16.231 26.246 25.241 1.00 5.58 C ATOM 952 CD2 LEU B2031 -16.372 28.486 26.332 1.00 9.93 C ATOM 0 H LEU B2031 -13.673 28.646 23.359 1.00 16.62 H new ATOM 0 HA LEU B2031 -14.079 29.723 25.694 1.00 13.86 H new ATOM 0 HB2 LEU B2031 -13.760 27.008 24.932 1.00 11.08 H new ATOM 0 HB3 LEU B2031 -14.014 27.370 26.427 1.00 11.08 H new ATOM 0 HG LEU B2031 -15.868 28.050 24.391 1.00 8.84 H new ATOM 0 HD11 LEU B2031 -17.187 26.268 25.078 1.00 5.58 H new ATOM 0 HD12 LEU B2031 -15.795 25.741 24.537 1.00 5.58 H new ATOM 0 HD13 LEU B2031 -16.060 25.822 26.096 1.00 5.58 H new ATOM 0 HD21 LEU B2031 -17.329 28.491 26.176 1.00 9.93 H new ATOM 0 HD22 LEU B2031 -16.189 28.102 27.204 1.00 9.93 H new ATOM 0 HD23 LEU B2031 -16.035 29.395 26.303 1.00 9.93 H new ATOM 953 N GLU B2032 -11.136 28.624 25.307 1.00 13.71 N ATOM 954 CA GLU B2032 -9.777 28.722 25.832 1.00 13.63 C ATOM 955 C GLU B2032 -9.390 30.183 26.075 1.00 15.64 C ATOM 956 O GLU B2032 -8.968 30.551 27.176 1.00 15.73 O ATOM 957 CB GLU B2032 -8.797 28.071 24.855 1.00 16.68 C ATOM 958 CG GLU B2032 -7.567 27.468 25.511 1.00 23.89 C ATOM 959 CD GLU B2032 -6.785 26.565 24.573 1.00 26.53 C ATOM 960 OE1 GLU B2032 -5.924 27.081 23.827 1.00 30.32 O ATOM 961 OE2 GLU B2032 -7.017 25.337 24.598 1.00 27.77 O ATOM 0 H GLU B2032 -11.194 28.251 24.534 1.00 13.71 H new ATOM 0 HA GLU B2032 -9.739 28.255 26.681 1.00 13.63 H new ATOM 0 HB2 GLU B2032 -9.261 27.376 24.363 1.00 16.68 H new ATOM 0 HB3 GLU B2032 -8.513 28.735 24.208 1.00 16.68 H new ATOM 0 HG2 GLU B2032 -6.989 28.182 25.823 1.00 23.89 H new ATOM 0 HG3 GLU B2032 -7.838 26.960 26.292 1.00 23.89 H new ATOM 962 N GLU B2033 -9.705 31.034 25.103 1.00 16.95 N ATOM 963 CA GLU B2033 -9.437 32.468 25.181 1.00 17.01 C ATOM 964 C GLU B2033 -10.202 33.152 26.315 1.00 14.11 C ATOM 965 O GLU B2033 -9.632 33.928 27.083 1.00 14.92 O ATOM 966 CB GLU B2033 -9.808 33.133 23.857 1.00 22.33 C ATOM 967 CG GLU B2033 -8.630 33.668 23.072 1.00 33.58 C ATOM 968 CD GLU B2033 -8.001 34.888 23.721 1.00 38.41 C ATOM 969 OE1 GLU B2033 -7.165 34.710 24.633 1.00 43.02 O ATOM 970 OE2 GLU B2033 -8.331 36.024 23.311 1.00 41.14 O ATOM 0 H GLU B2033 -10.085 30.792 24.370 1.00 16.95 H new ATOM 0 HA GLU B2033 -8.490 32.569 25.364 1.00 17.01 H new ATOM 0 HB2 GLU B2033 -10.283 32.490 23.307 1.00 22.33 H new ATOM 0 HB3 GLU B2033 -10.422 33.863 24.035 1.00 22.33 H new ATOM 0 HG2 GLU B2033 -7.961 32.971 22.985 1.00 33.58 H new ATOM 0 HG3 GLU B2033 -8.920 33.897 22.175 1.00 33.58 H new ATOM 971 N ALA B2034 -11.504 32.895 26.377 1.00 12.66 N ATOM 972 CA ALA B2034 -12.369 33.467 27.404 1.00 13.65 C ATOM 973 C ALA B2034 -11.946 33.089 28.830 1.00 15.59 C ATOM 974 O ALA B2034 -11.972 33.929 29.728 1.00 15.51 O ATOM 975 CB ALA B2034 -13.811 33.045 27.161 1.00 7.84 C ATOM 0 H ALA B2034 -11.913 32.381 25.822 1.00 12.66 H new ATOM 0 HA ALA B2034 -12.286 34.431 27.335 1.00 13.65 H new ATOM 0 HB1 ALA B2034 -14.380 33.428 27.846 1.00 7.84 H new ATOM 0 HB2 ALA B2034 -14.098 33.360 26.290 1.00 7.84 H new ATOM 0 HB3 ALA B2034 -13.875 32.078 27.192 1.00 7.84 H new ATOM 976 N SER B2035 -11.540 31.837 29.031 1.00 13.94 N ATOM 977 CA SER B2035 -11.149 31.366 30.366 1.00 11.57 C ATOM 978 C SER B2035 -9.796 31.916 30.790 1.00 11.70 C ATOM 979 O SER B2035 -9.572 32.203 31.964 1.00 14.18 O ATOM 980 CB SER B2035 -11.114 29.837 30.418 1.00 12.30 C ATOM 981 OG SER B2035 -9.955 29.318 29.794 1.00 12.97 O ATOM 0 H SER B2035 -11.483 31.243 28.412 1.00 13.94 H new ATOM 0 HA SER B2035 -11.820 31.695 30.985 1.00 11.57 H new ATOM 0 HB2 SER B2035 -11.143 29.544 31.342 1.00 12.30 H new ATOM 0 HB3 SER B2035 -11.904 29.480 29.982 1.00 12.30 H new ATOM 0 HG SER B2035 -9.808 29.738 29.081 1.00 12.97 H new ATOM 982 N ARG B2036 -8.906 32.093 29.819 1.00 12.10 N ATOM 983 CA ARG B2036 -7.641 32.771 30.055 1.00 9.70 C ATOM 984 C ARG B2036 -7.898 34.191 30.556 1.00 11.97 C ATOM 985 O ARG B2036 -7.423 34.569 31.627 1.00 11.78 O ATOM 986 CB ARG B2036 -6.820 32.808 28.768 1.00 10.66 C ATOM 987 CG ARG B2036 -5.438 33.397 28.926 1.00 16.10 C ATOM 988 CD ARG B2036 -4.978 34.052 27.628 1.00 23.24 C ATOM 989 NE ARG B2036 -4.393 35.374 27.858 1.00 28.43 N ATOM 990 CZ ARG B2036 -4.894 36.519 27.394 1.00 30.88 C ATOM 991 NH1 ARG B2036 -5.984 36.528 26.637 1.00 30.88 N ATOM 992 NH2 ARG B2036 -4.290 37.663 27.678 1.00 34.70 N ATOM 0 H ARG B2036 -9.019 31.824 29.010 1.00 12.10 H new ATOM 0 HA ARG B2036 -7.142 32.285 30.730 1.00 9.70 H new ATOM 0 HB2 ARG B2036 -6.737 31.905 28.424 1.00 10.66 H new ATOM 0 HB3 ARG B2036 -7.304 33.322 28.103 1.00 10.66 H new ATOM 0 HG2 ARG B2036 -5.441 34.053 29.641 1.00 16.10 H new ATOM 0 HG3 ARG B2036 -4.812 32.701 29.182 1.00 16.10 H new ATOM 0 HD2 ARG B2036 -4.325 33.482 27.193 1.00 23.24 H new ATOM 0 HD3 ARG B2036 -5.732 34.134 27.023 1.00 23.24 H new ATOM 0 HE ARG B2036 -3.673 35.415 28.327 1.00 28.43 H new ATOM 0 HH11 ARG B2036 -6.377 35.789 26.440 1.00 30.88 H new ATOM 0 HH12 ARG B2036 -6.298 37.273 26.344 1.00 30.88 H new ATOM 0 HH21 ARG B2036 -3.578 37.665 28.160 1.00 34.70 H new ATOM 0 HH22 ARG B2036 -4.610 38.404 27.381 1.00 34.70 H new ATOM 993 N LEU B2037 -8.752 34.925 29.849 1.00 8.40 N ATOM 994 CA LEU B2037 -9.042 36.310 30.209 1.00 9.75 C ATOM 995 C LEU B2037 -9.723 36.466 31.577 1.00 8.50 C ATOM 996 O LEU B2037 -9.277 37.255 32.406 1.00 9.47 O ATOM 997 CB LEU B2037 -9.892 36.974 29.121 1.00 7.62 C ATOM 998 CG LEU B2037 -9.127 37.421 27.874 1.00 5.71 C ATOM 999 CD1 LEU B2037 -10.100 37.717 26.751 1.00 6.03 C ATOM 1000 CD2 LEU B2037 -8.286 38.645 28.197 1.00 8.62 C ATOM 0 H LEU B2037 -9.175 34.640 29.156 1.00 8.40 H new ATOM 0 HA LEU B2037 -8.183 36.754 30.280 1.00 9.75 H new ATOM 0 HB2 LEU B2037 -10.587 36.353 28.851 1.00 7.62 H new ATOM 0 HB3 LEU B2037 -10.335 37.747 29.505 1.00 7.62 H new ATOM 0 HG LEU B2037 -8.535 36.709 27.586 1.00 5.71 H new ATOM 0 HD11 LEU B2037 -9.609 38.000 25.964 1.00 6.03 H new ATOM 0 HD12 LEU B2037 -10.609 36.918 26.544 1.00 6.03 H new ATOM 0 HD13 LEU B2037 -10.706 38.423 27.025 1.00 6.03 H new ATOM 0 HD21 LEU B2037 -7.803 38.925 27.404 1.00 8.62 H new ATOM 0 HD22 LEU B2037 -8.864 39.365 28.494 1.00 8.62 H new ATOM 0 HD23 LEU B2037 -7.654 38.427 28.900 1.00 8.62 H new ATOM 1001 N TYR B2038 -10.755 35.670 31.834 1.00 4.80 N ATOM 1002 CA TYR B2038 -11.448 35.701 33.123 1.00 8.14 C ATOM 1003 C TYR B2038 -10.595 35.154 34.281 1.00 8.30 C ATOM 1004 O TYR B2038 -10.324 35.856 35.257 1.00 10.00 O ATOM 1005 CB TYR B2038 -12.763 34.916 33.033 1.00 7.16 C ATOM 1006 CG TYR B2038 -13.564 34.904 34.318 1.00 7.86 C ATOM 1007 CD1 TYR B2038 -13.991 36.093 34.904 1.00 10.03 C ATOM 1008 CD2 TYR B2038 -13.824 33.711 34.989 1.00 7.19 C ATOM 1009 CE1 TYR B2038 -14.649 36.096 36.128 1.00 6.26 C ATOM 1010 CE2 TYR B2038 -14.480 33.704 36.213 1.00 7.26 C ATOM 1011 CZ TYR B2038 -14.886 34.900 36.776 1.00 9.84 C ATOM 1012 OH TYR B2038 -15.494 34.909 38.007 1.00 16.17 O ATOM 0 H TYR B2038 -11.073 35.101 31.273 1.00 4.80 H new ATOM 0 HA TYR B2038 -11.627 36.634 33.319 1.00 8.14 H new ATOM 0 HB2 TYR B2038 -13.308 35.297 32.327 1.00 7.16 H new ATOM 0 HB3 TYR B2038 -12.566 34.001 32.777 1.00 7.16 H new ATOM 0 HD1 TYR B2038 -13.833 36.899 34.468 1.00 10.03 H new ATOM 0 HD2 TYR B2038 -13.554 32.906 34.611 1.00 7.19 H new ATOM 0 HE1 TYR B2038 -14.928 36.898 36.508 1.00 6.26 H new ATOM 0 HE2 TYR B2038 -14.645 32.900 36.651 1.00 7.26 H new ATOM 0 HH TYR B2038 -15.577 34.120 38.284 1.00 16.17 H new ATOM 1013 N PHE B2039 -10.211 33.886 34.185 1.00 7.56 N ATOM 1014 CA PHE B2039 -9.483 33.217 35.255 1.00 6.86 C ATOM 1015 C PHE B2039 -8.033 33.664 35.383 1.00 9.71 C ATOM 1016 O PHE B2039 -7.576 33.968 36.482 1.00 13.47 O ATOM 1017 CB PHE B2039 -9.547 31.703 35.058 1.00 4.71 C ATOM 1018 CG PHE B2039 -10.906 31.125 35.307 1.00 2.87 C ATOM 1019 CD1 PHE B2039 -11.385 30.981 36.605 1.00 3.21 C ATOM 1020 CD2 PHE B2039 -11.717 30.746 34.248 1.00 4.79 C ATOM 1021 CE1 PHE B2039 -12.651 30.464 36.846 1.00 5.60 C ATOM 1022 CE2 PHE B2039 -12.991 30.226 34.479 1.00 5.67 C ATOM 1023 CZ PHE B2039 -13.457 30.085 35.781 1.00 6.65 C ATOM 0 H PHE B2039 -10.365 33.391 33.499 1.00 7.56 H new ATOM 0 HA PHE B2039 -9.920 33.470 36.083 1.00 6.86 H new ATOM 0 HB2 PHE B2039 -9.274 31.490 34.152 1.00 4.71 H new ATOM 0 HB3 PHE B2039 -8.909 31.279 35.653 1.00 4.71 H new ATOM 0 HD1 PHE B2039 -10.850 31.235 37.322 1.00 3.21 H new ATOM 0 HD2 PHE B2039 -11.409 30.839 33.376 1.00 4.79 H new ATOM 0 HE1 PHE B2039 -12.958 30.372 37.719 1.00 5.60 H new ATOM 0 HE2 PHE B2039 -13.528 29.974 33.763 1.00 5.67 H new ATOM 0 HZ PHE B2039 -14.305 29.738 35.938 1.00 6.65 H new ATOM 1024 N GLY B2040 -7.343 33.792 34.256 1.00 10.83 N ATOM 1025 CA GLY B2040 -5.950 34.204 34.285 1.00 11.80 C ATOM 1026 C GLY B2040 -5.695 35.690 34.498 1.00 15.64 C ATOM 1027 O GLY B2040 -4.756 36.070 35.203 1.00 18.33 O ATOM 0 H GLY B2040 -7.661 33.646 33.471 1.00 10.83 H new ATOM 0 HA2 GLY B2040 -5.501 33.713 34.991 1.00 11.80 H new ATOM 0 HA3 GLY B2040 -5.536 33.940 33.448 1.00 11.80 H new ATOM 1028 N GLU B2041 -6.508 36.536 33.876 1.00 14.49 N ATOM 1029 CA GLU B2041 -6.244 37.972 33.861 1.00 15.79 C ATOM 1030 C GLU B2041 -7.291 38.818 34.586 1.00 15.10 C ATOM 1031 O GLU B2041 -7.181 40.041 34.624 1.00 14.35 O ATOM 1032 CB GLU B2041 -6.119 38.461 32.421 1.00 18.57 C ATOM 1033 CG GLU B2041 -5.240 37.592 31.550 1.00 28.89 C ATOM 1034 CD GLU B2041 -4.112 38.370 30.919 1.00 37.81 C ATOM 1035 OE1 GLU B2041 -4.398 39.273 30.104 1.00 42.84 O ATOM 1036 OE2 GLU B2041 -2.939 38.091 31.252 1.00 41.21 O ATOM 0 H GLU B2041 -7.220 36.299 33.455 1.00 14.49 H new ATOM 0 HA GLU B2041 -5.413 38.088 34.348 1.00 15.79 H new ATOM 0 HB2 GLU B2041 -7.004 38.507 32.027 1.00 18.57 H new ATOM 0 HB3 GLU B2041 -5.763 39.363 32.425 1.00 18.57 H new ATOM 0 HG2 GLU B2041 -4.873 36.869 32.083 1.00 28.89 H new ATOM 0 HG3 GLU B2041 -5.779 37.185 30.854 1.00 28.89 H new ATOM 1037 N ARG B2042 -8.314 38.168 35.135 1.00 15.37 N ATOM 1038 CA ARG B2042 -9.388 38.860 35.849 1.00 18.80 C ATOM 1039 C ARG B2042 -10.158 39.810 34.936 1.00 18.12 C ATOM 1040 O ARG B2042 -10.831 40.733 35.398 1.00 18.98 O ATOM 1041 CB ARG B2042 -8.819 39.633 37.046 1.00 25.24 C ATOM 1042 CG ARG B2042 -9.065 38.986 38.395 1.00 27.63 C ATOM 1043 CD ARG B2042 -8.438 37.611 38.479 1.00 29.39 C ATOM 1044 NE ARG B2042 -6.989 37.654 38.324 1.00 32.92 N ATOM 1045 CZ ARG B2042 -6.161 36.746 38.831 1.00 39.26 C ATOM 1046 NH1 ARG B2042 -6.638 35.750 39.571 1.00 39.00 N ATOM 1047 NH2 ARG B2042 -4.857 36.836 38.607 1.00 39.06 N ATOM 0 H ARG B2042 -8.406 37.313 35.105 1.00 15.37 H new ATOM 0 HA ARG B2042 -10.008 38.185 36.165 1.00 18.80 H new ATOM 0 HB2 ARG B2042 -7.863 39.739 36.922 1.00 25.24 H new ATOM 0 HB3 ARG B2042 -9.204 40.523 37.053 1.00 25.24 H new ATOM 0 HG2 ARG B2042 -8.703 39.550 39.096 1.00 27.63 H new ATOM 0 HG3 ARG B2042 -10.020 38.917 38.552 1.00 27.63 H new ATOM 0 HD2 ARG B2042 -8.658 37.209 39.334 1.00 29.39 H new ATOM 0 HD3 ARG B2042 -8.818 37.042 37.792 1.00 29.39 H new ATOM 0 HE ARG B2042 -6.649 38.306 37.878 1.00 32.92 H new ATOM 0 HH11 ARG B2042 -7.483 35.693 39.722 1.00 39.00 H new ATOM 0 HH12 ARG B2042 -6.102 35.163 39.899 1.00 39.00 H new ATOM 0 HH21 ARG B2042 -4.546 37.483 38.133 1.00 39.06 H new ATOM 0 HH22 ARG B2042 -4.323 36.248 38.936 1.00 39.06 H new ATOM 1048 N ASN B2043 -10.129 39.519 33.642 1.00 19.16 N ATOM 1049 CA ASN B2043 -10.792 40.356 32.649 1.00 15.22 C ATOM 1050 C ASN B2043 -12.178 39.821 32.280 1.00 13.80 C ATOM 1051 O ASN B2043 -12.327 38.996 31.374 1.00 9.66 O ATOM 1052 CB ASN B2043 -9.919 40.467 31.400 1.00 13.95 C ATOM 1053 CG ASN B2043 -10.094 41.787 30.689 1.00 11.27 C ATOM 1054 OD1 ASN B2043 -11.166 42.381 30.715 1.00 10.29 O ATOM 1055 ND2 ASN B2043 -9.051 42.236 30.020 1.00 12.58 N ATOM 0 H ASN B2043 -9.726 38.833 33.315 1.00 19.16 H new ATOM 0 HA ASN B2043 -10.917 41.235 33.039 1.00 15.22 H new ATOM 0 HB2 ASN B2043 -8.988 40.358 31.649 1.00 13.95 H new ATOM 0 HB3 ASN B2043 -10.137 39.744 30.791 1.00 13.95 H new ATOM 0 HD21 ASN B2043 -9.107 42.972 29.579 1.00 12.58 H new ATOM 0 HD22 ASN B2043 -8.314 41.793 30.024 1.00 12.58 H new ATOM 1056 N VAL B2044 -13.193 40.291 32.994 1.00 10.56 N ATOM 1057 CA VAL B2044 -14.557 39.845 32.750 1.00 9.55 C ATOM 1058 C VAL B2044 -15.141 40.541 31.523 1.00 13.44 C ATOM 1059 O VAL B2044 -15.852 39.924 30.735 1.00 15.70 O ATOM 1060 CB VAL B2044 -15.453 40.107 33.979 1.00 10.89 C ATOM 1061 CG1 VAL B2044 -16.826 39.485 33.779 1.00 8.71 C ATOM 1062 CG2 VAL B2044 -14.799 39.531 35.223 1.00 7.68 C ATOM 0 H VAL B2044 -13.113 40.870 33.625 1.00 10.56 H new ATOM 0 HA VAL B2044 -14.530 38.889 32.586 1.00 9.55 H new ATOM 0 HB VAL B2044 -15.561 41.065 34.088 1.00 10.89 H new ATOM 0 HG11 VAL B2044 -17.377 39.658 34.559 1.00 8.71 H new ATOM 0 HG12 VAL B2044 -17.246 39.872 32.995 1.00 8.71 H new ATOM 0 HG13 VAL B2044 -16.733 38.527 33.656 1.00 8.71 H new ATOM 0 HG21 VAL B2044 -15.365 39.698 35.993 1.00 7.68 H new ATOM 0 HG22 VAL B2044 -14.678 38.575 35.112 1.00 7.68 H new ATOM 0 HG23 VAL B2044 -13.936 39.952 35.360 1.00 7.68 H new ATOM 1063 N LYS B2045 -14.767 41.800 31.318 1.00 13.10 N ATOM 1064 CA LYS B2045 -15.177 42.547 30.127 1.00 13.64 C ATOM 1065 C LYS B2045 -14.643 41.883 28.849 1.00 13.03 C ATOM 1066 O LYS B2045 -15.395 41.614 27.910 1.00 10.70 O ATOM 1067 CB LYS B2045 -14.672 43.991 30.215 1.00 18.60 C ATOM 1068 CG LYS B2045 -15.282 44.931 29.192 1.00 26.00 C ATOM 1069 CD LYS B2045 -14.582 46.282 29.179 1.00 31.77 C ATOM 1070 CE LYS B2045 -13.459 46.323 28.145 1.00 34.93 C ATOM 1071 NZ LYS B2045 -13.964 46.508 26.753 1.00 35.87 N ATOM 0 H LYS B2045 -14.271 42.246 31.861 1.00 13.10 H new ATOM 0 HA LYS B2045 -16.146 42.547 30.088 1.00 13.64 H new ATOM 0 HB2 LYS B2045 -14.857 44.333 31.104 1.00 18.60 H new ATOM 0 HB3 LYS B2045 -13.708 43.992 30.105 1.00 18.60 H new ATOM 0 HG2 LYS B2045 -15.227 44.530 28.311 1.00 26.00 H new ATOM 0 HG3 LYS B2045 -16.224 45.056 29.389 1.00 26.00 H new ATOM 0 HD2 LYS B2045 -15.227 46.980 28.985 1.00 31.77 H new ATOM 0 HD3 LYS B2045 -14.219 46.468 30.059 1.00 31.77 H new ATOM 0 HE2 LYS B2045 -12.850 47.046 28.363 1.00 34.93 H new ATOM 0 HE3 LYS B2045 -12.950 45.499 28.193 1.00 34.93 H new ATOM 0 HZ1 LYS B2045 -13.319 46.852 26.246 1.00 35.87 H new ATOM 0 HZ2 LYS B2045 -14.214 45.721 26.421 1.00 35.87 H new ATOM 0 HZ3 LYS B2045 -14.661 47.061 26.761 1.00 35.87 H new ATOM 1072 N GLY B2046 -13.361 41.534 28.863 1.00 8.16 N ATOM 1073 CA GLY B2046 -12.768 40.818 27.748 1.00 10.92 C ATOM 1074 C GLY B2046 -13.356 39.437 27.523 1.00 10.57 C ATOM 1075 O GLY B2046 -13.467 38.973 26.388 1.00 14.68 O ATOM 0 H GLY B2046 -12.820 41.704 29.510 1.00 8.16 H new ATOM 0 HA2 GLY B2046 -12.881 41.344 26.941 1.00 10.92 H new ATOM 0 HA3 GLY B2046 -11.814 40.733 27.900 1.00 10.92 H new ATOM 1076 N MET B2047 -13.724 38.771 28.609 1.00 11.97 N ATOM 1077 CA MET B2047 -14.407 37.486 28.530 1.00 7.15 C ATOM 1078 C MET B2047 -15.702 37.607 27.727 1.00 7.74 C ATOM 1079 O MET B2047 -15.957 36.801 26.837 1.00 6.66 O ATOM 1080 CB MET B2047 -14.709 36.967 29.939 1.00 7.06 C ATOM 1081 CG MET B2047 -15.245 35.556 29.985 1.00 5.00 C ATOM 1082 SD MET B2047 -16.150 35.242 31.495 1.00 9.15 S ATOM 1083 CE MET B2047 -17.776 35.856 31.060 1.00 7.94 C ATOM 0 H MET B2047 -13.586 39.049 29.411 1.00 11.97 H new ATOM 0 HA MET B2047 -13.825 36.857 28.076 1.00 7.15 H new ATOM 0 HB2 MET B2047 -13.897 37.010 30.468 1.00 7.06 H new ATOM 0 HB3 MET B2047 -15.353 37.559 30.359 1.00 7.06 H new ATOM 0 HG2 MET B2047 -15.825 35.405 29.222 1.00 5.00 H new ATOM 0 HG3 MET B2047 -14.510 34.928 29.911 1.00 5.00 H new ATOM 0 HE1 MET B2047 -18.071 36.493 31.729 1.00 7.94 H new ATOM 0 HE2 MET B2047 -17.737 36.292 30.194 1.00 7.94 H new ATOM 0 HE3 MET B2047 -18.402 35.116 31.021 1.00 7.94 H new ATOM 1084 N PHE B2048 -16.489 38.643 28.012 1.00 7.69 N ATOM 1085 CA PHE B2048 -17.730 38.904 27.279 1.00 9.09 C ATOM 1086 C PHE B2048 -17.475 39.224 25.803 1.00 9.44 C ATOM 1087 O PHE B2048 -18.229 38.801 24.928 1.00 9.88 O ATOM 1088 CB PHE B2048 -18.499 40.063 27.922 1.00 9.73 C ATOM 1089 CG PHE B2048 -19.183 39.705 29.214 1.00 11.76 C ATOM 1090 CD1 PHE B2048 -19.727 38.438 29.409 1.00 15.01 C ATOM 1091 CD2 PHE B2048 -19.305 40.645 30.230 1.00 14.20 C ATOM 1092 CE1 PHE B2048 -20.384 38.117 30.601 1.00 17.53 C ATOM 1093 CE2 PHE B2048 -19.962 40.334 31.423 1.00 14.79 C ATOM 1094 CZ PHE B2048 -20.500 39.068 31.607 1.00 14.86 C ATOM 0 H PHE B2048 -16.320 39.213 28.633 1.00 7.69 H new ATOM 0 HA PHE B2048 -18.258 38.092 27.324 1.00 9.09 H new ATOM 0 HB2 PHE B2048 -17.884 40.795 28.085 1.00 9.73 H new ATOM 0 HB3 PHE B2048 -19.164 40.385 27.294 1.00 9.73 H new ATOM 0 HD1 PHE B2048 -19.652 37.798 28.739 1.00 15.01 H new ATOM 0 HD2 PHE B2048 -18.944 41.494 30.114 1.00 14.20 H new ATOM 0 HE1 PHE B2048 -20.743 37.267 30.720 1.00 17.53 H new ATOM 0 HE2 PHE B2048 -20.039 40.974 32.093 1.00 14.79 H new ATOM 0 HZ PHE B2048 -20.936 38.857 32.401 1.00 14.86 H new ATOM 1095 N GLU B2049 -16.363 39.901 25.532 1.00 14.06 N ATOM 1096 CA GLU B2049 -15.985 40.257 24.167 1.00 17.83 C ATOM 1097 C GLU B2049 -15.835 39.037 23.258 1.00 17.31 C ATOM 1098 O GLU B2049 -16.362 39.018 22.152 1.00 19.89 O ATOM 1099 CB GLU B2049 -14.677 41.054 24.171 1.00 19.58 C ATOM 1100 CG GLU B2049 -14.860 42.551 24.002 1.00 26.55 C ATOM 1101 CD GLU B2049 -14.049 43.355 25.002 1.00 32.29 C ATOM 1102 OE1 GLU B2049 -12.826 43.508 24.794 1.00 34.76 O ATOM 1103 OE2 GLU B2049 -14.635 43.831 26.000 1.00 33.94 O ATOM 0 H GLU B2049 -15.807 40.167 26.132 1.00 14.06 H new ATOM 0 HA GLU B2049 -16.706 40.799 23.811 1.00 17.83 H new ATOM 0 HB2 GLU B2049 -14.211 40.887 25.005 1.00 19.58 H new ATOM 0 HB3 GLU B2049 -14.108 40.725 23.458 1.00 19.58 H new ATOM 0 HG2 GLU B2049 -14.602 42.805 23.102 1.00 26.55 H new ATOM 0 HG3 GLU B2049 -15.799 42.772 24.101 1.00 26.55 H new ATOM 1104 N VAL B2050 -15.136 38.014 23.736 1.00 16.59 N ATOM 1105 CA VAL B2050 -14.873 36.826 22.920 1.00 18.05 C ATOM 1106 C VAL B2050 -16.060 35.863 22.827 1.00 16.35 C ATOM 1107 O VAL B2050 -16.255 35.201 21.806 1.00 18.72 O ATOM 1108 CB VAL B2050 -13.637 36.046 23.435 1.00 17.70 C ATOM 1109 CG1 VAL B2050 -12.454 36.988 23.620 1.00 18.33 C ATOM 1110 CG2 VAL B2050 -13.957 35.362 24.730 1.00 20.85 C ATOM 0 H VAL B2050 -14.804 37.984 24.529 1.00 16.59 H new ATOM 0 HA VAL B2050 -14.704 37.171 22.029 1.00 18.05 H new ATOM 0 HB VAL B2050 -13.400 35.375 22.776 1.00 17.70 H new ATOM 0 HG11 VAL B2050 -11.688 36.487 23.942 1.00 18.33 H new ATOM 0 HG12 VAL B2050 -12.234 37.403 22.771 1.00 18.33 H new ATOM 0 HG13 VAL B2050 -12.685 37.675 24.265 1.00 18.33 H new ATOM 0 HG21 VAL B2050 -13.177 34.878 25.042 1.00 20.85 H new ATOM 0 HG22 VAL B2050 -14.212 36.024 25.392 1.00 20.85 H new ATOM 0 HG23 VAL B2050 -14.690 34.741 24.596 1.00 20.85 H new ATOM 1111 N LEU B2051 -16.872 35.813 23.877 1.00 16.37 N ATOM 1112 CA LEU B2051 -17.967 34.850 23.957 1.00 14.48 C ATOM 1113 C LEU B2051 -19.210 35.260 23.167 1.00 15.29 C ATOM 1114 O LEU B2051 -19.886 34.419 22.569 1.00 16.15 O ATOM 1115 CB LEU B2051 -18.348 34.621 25.421 1.00 15.30 C ATOM 1116 CG LEU B2051 -17.983 33.286 26.077 1.00 13.99 C ATOM 1117 CD1 LEU B2051 -16.885 32.564 25.305 1.00 13.10 C ATOM 1118 CD2 LEU B2051 -17.551 33.552 27.502 1.00 12.60 C ATOM 0 H LEU B2051 -16.806 36.332 24.559 1.00 16.37 H new ATOM 0 HA LEU B2051 -17.639 34.032 23.552 1.00 14.48 H new ATOM 0 HB2 LEU B2051 -17.939 35.327 25.945 1.00 15.30 H new ATOM 0 HB3 LEU B2051 -19.309 34.732 25.496 1.00 15.30 H new ATOM 0 HG LEU B2051 -18.760 32.705 26.070 1.00 13.99 H new ATOM 0 HD11 LEU B2051 -16.678 31.725 25.745 1.00 13.10 H new ATOM 0 HD12 LEU B2051 -17.187 32.388 24.400 1.00 13.10 H new ATOM 0 HD13 LEU B2051 -16.090 33.119 25.277 1.00 13.10 H new ATOM 0 HD21 LEU B2051 -17.316 32.714 27.931 1.00 12.60 H new ATOM 0 HD22 LEU B2051 -16.781 34.142 27.502 1.00 12.60 H new ATOM 0 HD23 LEU B2051 -18.278 33.971 27.988 1.00 12.60 H new ATOM 1119 N GLU B2052 -19.529 36.548 23.212 1.00 16.29 N ATOM 1120 CA GLU B2052 -20.739 37.083 22.581 1.00 19.19 C ATOM 1121 C GLU B2052 -20.873 36.791 21.072 1.00 14.45 C ATOM 1122 O GLU B2052 -21.890 36.251 20.634 1.00 9.93 O ATOM 1123 CB GLU B2052 -20.831 38.593 22.854 1.00 22.93 C ATOM 1124 CG GLU B2052 -22.003 39.293 22.199 1.00 30.67 C ATOM 1125 CD GLU B2052 -22.642 40.320 23.108 1.00 36.29 C ATOM 1126 OE1 GLU B2052 -21.936 41.252 23.549 1.00 37.43 O ATOM 1127 OE2 GLU B2052 -23.850 40.183 23.397 1.00 42.43 O ATOM 0 H GLU B2052 -19.051 37.142 23.610 1.00 16.29 H new ATOM 0 HA GLU B2052 -21.484 36.613 22.987 1.00 19.19 H new ATOM 0 HB2 GLU B2052 -20.884 38.732 23.813 1.00 22.93 H new ATOM 0 HB3 GLU B2052 -20.011 39.013 22.551 1.00 22.93 H new ATOM 0 HG2 GLU B2052 -21.703 39.727 21.385 1.00 30.67 H new ATOM 0 HG3 GLU B2052 -22.667 38.635 21.942 1.00 30.67 H new ATOM 1128 N PRO B2053 -19.802 37.023 20.287 1.00 13.43 N ATOM 1129 CA PRO B2053 -19.758 36.610 18.877 1.00 15.51 C ATOM 1130 C PRO B2053 -20.081 35.136 18.630 1.00 13.96 C ATOM 1131 O PRO B2053 -20.804 34.797 17.694 1.00 17.43 O ATOM 1132 CB PRO B2053 -18.330 36.945 18.460 1.00 17.93 C ATOM 1133 CG PRO B2053 -17.971 38.104 19.335 1.00 17.69 C ATOM 1134 CD PRO B2053 -18.594 37.785 20.655 1.00 14.42 C ATOM 0 HA PRO B2053 -20.442 37.066 18.361 1.00 15.51 H new ATOM 0 HB2 PRO B2053 -17.732 36.194 18.599 1.00 17.93 H new ATOM 0 HB3 PRO B2053 -18.278 37.178 17.520 1.00 17.93 H new ATOM 0 HG2 PRO B2053 -17.009 38.203 19.413 1.00 17.69 H new ATOM 0 HG3 PRO B2053 -18.313 38.937 18.975 1.00 17.69 H new ATOM 0 HD2 PRO B2053 -17.998 37.263 21.215 1.00 14.42 H new ATOM 0 HD3 PRO B2053 -18.815 38.589 21.150 1.00 14.42 H new ATOM 1135 N LEU B2054 -19.567 34.259 19.483 1.00 14.86 N ATOM 1136 CA LEU B2054 -19.771 32.823 19.300 1.00 11.56 C ATOM 1137 C LEU B2054 -21.225 32.436 19.573 1.00 10.12 C ATOM 1138 O LEU B2054 -21.808 31.625 18.855 1.00 8.82 O ATOM 1139 CB LEU B2054 -18.836 32.031 20.215 1.00 11.72 C ATOM 1140 CG LEU B2054 -17.377 32.483 20.312 1.00 12.14 C ATOM 1141 CD1 LEU B2054 -16.624 31.569 21.262 1.00 15.74 C ATOM 1142 CD2 LEU B2054 -16.725 32.468 18.949 1.00 15.22 C ATOM 0 H LEU B2054 -19.098 34.471 20.172 1.00 14.86 H new ATOM 0 HA LEU B2054 -19.566 32.607 18.377 1.00 11.56 H new ATOM 0 HB2 LEU B2054 -19.212 32.045 21.109 1.00 11.72 H new ATOM 0 HB3 LEU B2054 -18.842 31.107 19.919 1.00 11.72 H new ATOM 0 HG LEU B2054 -17.351 33.391 20.652 1.00 12.14 H new ATOM 0 HD11 LEU B2054 -15.699 31.856 21.323 1.00 15.74 H new ATOM 0 HD12 LEU B2054 -17.033 31.608 22.141 1.00 15.74 H new ATOM 0 HD13 LEU B2054 -16.658 30.658 20.930 1.00 15.74 H new ATOM 0 HD21 LEU B2054 -15.802 32.757 19.028 1.00 15.22 H new ATOM 0 HD22 LEU B2054 -16.752 31.568 18.587 1.00 15.22 H new ATOM 0 HD23 LEU B2054 -17.202 33.069 18.355 1.00 15.22 H new ATOM 1143 N HIS B2055 -21.834 33.103 20.550 1.00 6.61 N ATOM 1144 CA HIS B2055 -23.256 32.918 20.835 1.00 6.81 C ATOM 1145 C HIS B2055 -24.151 33.500 19.742 1.00 9.02 C ATOM 1146 O HIS B2055 -25.220 32.961 19.456 1.00 9.13 O ATOM 1147 CB HIS B2055 -23.611 33.545 22.186 1.00 7.61 C ATOM 1148 CG HIS B2055 -23.174 32.730 23.368 1.00 8.61 C ATOM 1149 ND1 HIS B2055 -23.723 31.503 23.667 1.00 5.41 N ATOM 1150 CD2 HIS B2055 -22.229 32.958 24.308 1.00 2.39 C ATOM 1151 CE1 HIS B2055 -23.135 31.007 24.742 1.00 4.15 C ATOM 1152 NE2 HIS B2055 -22.224 31.871 25.147 1.00 7.54 N ATOM 0 H HIS B2055 -21.440 33.670 21.062 1.00 6.61 H new ATOM 0 HA HIS B2055 -23.418 31.962 20.864 1.00 6.81 H new ATOM 0 HB2 HIS B2055 -23.204 34.424 22.242 1.00 7.61 H new ATOM 0 HB3 HIS B2055 -24.571 33.674 22.230 1.00 7.61 H new ATOM 0 HD1 HIS B2055 -24.351 31.119 23.223 1.00 5.41 H new ATOM 0 HD2 HIS B2055 -21.685 33.709 24.374 1.00 2.39 H new ATOM 0 HE1 HIS B2055 -23.330 30.191 25.143 1.00 4.15 H new ATOM 1153 N ALA B2056 -23.679 34.568 19.103 1.00 12.34 N ATOM 1154 CA ALA B2056 -24.375 35.181 17.973 1.00 13.90 C ATOM 1155 C ALA B2056 -24.395 34.275 16.736 1.00 16.22 C ATOM 1156 O ALA B2056 -25.445 34.076 16.122 1.00 16.29 O ATOM 1157 CB ALA B2056 -23.729 36.512 17.636 1.00 12.52 C ATOM 0 H ALA B2056 -22.943 34.959 19.313 1.00 12.34 H new ATOM 0 HA ALA B2056 -25.298 35.319 18.239 1.00 13.90 H new ATOM 0 HB1 ALA B2056 -24.193 36.916 16.886 1.00 12.52 H new ATOM 0 HB2 ALA B2056 -23.782 37.102 18.404 1.00 12.52 H new ATOM 0 HB3 ALA B2056 -22.798 36.370 17.402 1.00 12.52 H new ATOM 1158 N MET B2057 -23.259 33.645 16.443 1.00 20.29 N ATOM 1159 CA MET B2057 -23.175 32.633 15.387 1.00 24.63 C ATOM 1160 C MET B2057 -24.190 31.492 15.568 1.00 25.57 C ATOM 1161 O MET B2057 -24.855 31.088 14.617 1.00 27.05 O ATOM 1162 CB MET B2057 -21.756 32.058 15.323 1.00 27.45 C ATOM 1163 CG MET B2057 -21.544 31.006 14.240 1.00 33.09 C ATOM 1164 SD MET B2057 -21.159 31.701 12.623 1.00 34.90 S ATOM 1165 CE MET B2057 -19.882 30.585 12.056 1.00 33.07 C ATOM 0 H MET B2057 -22.515 33.791 16.849 1.00 20.29 H new ATOM 0 HA MET B2057 -23.393 33.079 14.554 1.00 24.63 H new ATOM 0 HB2 MET B2057 -21.131 32.786 15.177 1.00 27.45 H new ATOM 0 HB3 MET B2057 -21.539 31.667 16.184 1.00 27.45 H new ATOM 0 HG2 MET B2057 -20.823 30.416 14.510 1.00 33.09 H new ATOM 0 HG3 MET B2057 -22.344 30.462 14.168 1.00 33.09 H new ATOM 0 HE1 MET B2057 -19.152 31.096 11.672 1.00 33.07 H new ATOM 0 HE2 MET B2057 -19.552 30.063 12.804 1.00 33.07 H new ATOM 0 HE3 MET B2057 -20.248 29.989 11.383 1.00 33.07 H new ATOM 1166 N MET B2058 -24.303 30.977 16.789 1.00 26.63 N ATOM 1167 CA MET B2058 -25.290 29.935 17.090 1.00 24.98 C ATOM 1168 C MET B2058 -26.720 30.408 16.828 1.00 26.81 C ATOM 1169 O MET B2058 -27.604 29.602 16.533 1.00 26.06 O ATOM 1170 CB MET B2058 -25.182 29.489 18.552 1.00 23.59 C ATOM 1171 CG MET B2058 -23.794 29.086 19.003 1.00 18.96 C ATOM 1172 SD MET B2058 -23.209 27.584 18.235 1.00 18.65 S ATOM 1173 CE MET B2058 -24.487 26.436 18.733 1.00 16.40 C ATOM 0 H MET B2058 -23.819 31.215 17.459 1.00 26.63 H new ATOM 0 HA MET B2058 -25.094 29.190 16.500 1.00 24.98 H new ATOM 0 HB2 MET B2058 -25.494 30.211 19.119 1.00 23.59 H new ATOM 0 HB3 MET B2058 -25.782 28.740 18.692 1.00 23.59 H new ATOM 0 HG2 MET B2058 -23.175 29.806 18.804 1.00 18.96 H new ATOM 0 HG3 MET B2058 -23.795 28.970 19.966 1.00 18.96 H new ATOM 0 HE1 MET B2058 -24.138 25.531 18.705 1.00 16.40 H new ATOM 0 HE2 MET B2058 -24.775 26.644 19.636 1.00 16.40 H new ATOM 0 HE3 MET B2058 -25.242 26.510 18.128 1.00 16.40 H new ATOM 1174 N GLU B2059 -26.945 31.711 16.977 1.00 28.35 N ATOM 1175 CA GLU B2059 -28.279 32.300 16.886 1.00 27.59 C ATOM 1176 C GLU B2059 -28.834 32.279 15.465 1.00 26.42 C ATOM 1177 O GLU B2059 -30.040 32.116 15.265 1.00 27.72 O ATOM 1178 CB GLU B2059 -28.250 33.742 17.402 1.00 32.22 C ATOM 1179 CG GLU B2059 -29.623 34.376 17.591 1.00 35.94 C ATOM 1180 CD GLU B2059 -29.582 35.897 17.575 1.00 40.66 C ATOM 1181 OE1 GLU B2059 -28.520 36.480 17.895 1.00 42.66 O ATOM 1182 OE2 GLU B2059 -30.620 36.511 17.241 1.00 42.17 O ATOM 0 H GLU B2059 -26.323 32.283 17.135 1.00 28.35 H new ATOM 0 HA GLU B2059 -28.866 31.758 17.436 1.00 27.59 H new ATOM 0 HB2 GLU B2059 -27.779 33.760 18.250 1.00 32.22 H new ATOM 0 HB3 GLU B2059 -27.739 34.285 16.782 1.00 32.22 H new ATOM 0 HG2 GLU B2059 -30.216 34.066 16.889 1.00 35.94 H new ATOM 0 HG3 GLU B2059 -29.999 34.076 18.433 1.00 35.94 H new ATOM 1183 N ARG B2060 -27.956 32.438 14.478 1.00 25.81 N ATOM 1184 CA ARG B2060 -28.379 32.364 13.083 1.00 24.15 C ATOM 1185 C ARG B2060 -28.665 30.938 12.638 1.00 23.25 C ATOM 1186 O ARG B2060 -29.407 30.713 11.686 1.00 22.28 O ATOM 1187 CB ARG B2060 -27.353 33.013 12.149 1.00 28.52 C ATOM 1188 CG ARG B2060 -25.911 32.690 12.434 1.00 30.85 C ATOM 1189 CD ARG B2060 -25.236 32.194 11.174 1.00 34.52 C ATOM 1190 NE ARG B2060 -25.211 30.736 11.117 1.00 34.89 N ATOM 1191 CZ ARG B2060 -24.522 30.038 10.223 1.00 31.00 C ATOM 1192 NH1 ARG B2060 -23.834 30.663 9.276 1.00 32.64 N ATOM 1193 NH2 ARG B2060 -24.522 28.714 10.272 1.00 29.04 N ATOM 0 H ARG B2060 -27.117 32.588 14.593 1.00 25.81 H new ATOM 0 HA ARG B2060 -29.209 32.862 13.026 1.00 24.15 H new ATOM 0 HB2 ARG B2060 -27.553 32.744 11.239 1.00 28.52 H new ATOM 0 HB3 ARG B2060 -27.466 33.976 12.191 1.00 28.52 H new ATOM 0 HG2 ARG B2060 -25.454 33.479 12.766 1.00 30.85 H new ATOM 0 HG3 ARG B2060 -25.854 32.015 13.128 1.00 30.85 H new ATOM 0 HD2 ARG B2060 -25.703 32.541 10.398 1.00 34.52 H new ATOM 0 HD3 ARG B2060 -24.329 32.536 11.136 1.00 34.52 H new ATOM 0 HE ARG B2060 -25.672 30.302 11.699 1.00 34.89 H new ATOM 0 HH11 ARG B2060 -23.834 31.522 9.241 1.00 32.64 H new ATOM 0 HH12 ARG B2060 -23.388 30.209 8.698 1.00 32.64 H new ATOM 0 HH21 ARG B2060 -24.969 28.306 10.883 1.00 29.04 H new ATOM 0 HH22 ARG B2060 -24.075 28.262 9.692 1.00 29.04 H new ATOM 1194 N GLY B2061 -28.087 29.973 13.340 1.00 20.54 N ATOM 1195 CA GLY B2061 -28.509 28.597 13.164 1.00 16.84 C ATOM 1196 C GLY B2061 -27.633 27.772 12.242 1.00 16.25 C ATOM 1197 O GLY B2061 -26.874 28.313 11.438 1.00 16.23 O ATOM 0 H GLY B2061 -27.458 30.093 13.914 1.00 20.54 H new ATOM 0 HA2 GLY B2061 -28.536 28.167 14.033 1.00 16.84 H new ATOM 0 HA3 GLY B2061 -29.415 28.592 12.817 1.00 16.84 H new ATOM 1198 N PRO B2062 -27.677 26.440 12.379 1.00 16.25 N ATOM 1199 CA PRO B2062 -26.814 25.543 11.606 1.00 14.31 C ATOM 1200 C PRO B2062 -27.170 25.494 10.118 1.00 13.25 C ATOM 1201 O PRO B2062 -28.347 25.493 9.741 1.00 8.20 O ATOM 1202 CB PRO B2062 -27.016 24.191 12.287 1.00 14.61 C ATOM 1203 CG PRO B2062 -28.394 24.266 12.843 1.00 12.47 C ATOM 1204 CD PRO B2062 -28.549 25.695 13.304 1.00 15.43 C ATOM 0 HA PRO B2062 -25.890 25.839 11.605 1.00 14.31 H new ATOM 0 HB2 PRO B2062 -26.927 23.459 11.656 1.00 14.61 H new ATOM 0 HB3 PRO B2062 -26.359 24.044 12.986 1.00 14.61 H new ATOM 0 HG2 PRO B2062 -29.057 24.039 12.172 1.00 12.47 H new ATOM 0 HG3 PRO B2062 -28.511 23.645 13.579 1.00 12.47 H new ATOM 0 HD2 PRO B2062 -29.470 25.993 13.247 1.00 15.43 H new ATOM 0 HD3 PRO B2062 -28.272 25.806 14.227 1.00 15.43 H new ATOM 1205 N GLN B2063 -26.142 25.471 9.278 1.00 13.78 N ATOM 1206 CA GLN B2063 -26.320 25.482 7.827 1.00 19.18 C ATOM 1207 C GLN B2063 -25.658 24.284 7.142 1.00 20.11 C ATOM 1208 O GLN B2063 -25.814 24.077 5.938 1.00 23.51 O ATOM 1209 CB GLN B2063 -25.767 26.781 7.240 1.00 20.46 C ATOM 1210 CG GLN B2063 -26.591 28.017 7.580 1.00 25.14 C ATOM 1211 CD GLN B2063 -25.998 29.295 7.011 1.00 26.06 C ATOM 1212 OE1 GLN B2063 -24.924 29.287 6.416 1.00 24.98 O ATOM 1213 NE2 GLN B2063 -26.690 30.406 7.210 1.00 28.37 N ATOM 0 H GLN B2063 -25.320 25.449 9.531 1.00 13.78 H new ATOM 0 HA GLN B2063 -27.273 25.420 7.659 1.00 19.18 H new ATOM 0 HB2 GLN B2063 -24.861 26.910 7.561 1.00 20.46 H new ATOM 0 HB3 GLN B2063 -25.716 26.693 6.275 1.00 20.46 H new ATOM 0 HG2 GLN B2063 -27.492 27.904 7.239 1.00 25.14 H new ATOM 0 HG3 GLN B2063 -26.661 28.099 8.544 1.00 25.14 H new ATOM 0 HE21 GLN B2063 -27.439 30.376 7.631 1.00 28.37 H new ATOM 0 HE22 GLN B2063 -26.390 31.157 6.918 1.00 28.37 H new ATOM 1214 N THR B2064 -24.895 23.518 7.912 1.00 18.05 N ATOM 1215 CA THR B2064 -24.275 22.299 7.408 1.00 16.12 C ATOM 1216 C THR B2064 -24.628 21.125 8.314 1.00 16.88 C ATOM 1217 O THR B2064 -25.160 21.312 9.412 1.00 14.96 O ATOM 1218 CB THR B2064 -22.735 22.413 7.350 1.00 16.43 C ATOM 1219 OG1 THR B2064 -22.192 22.229 8.664 1.00 16.04 O ATOM 1220 CG2 THR B2064 -22.305 23.768 6.811 1.00 17.39 C ATOM 0 H THR B2064 -24.722 23.689 8.737 1.00 18.05 H new ATOM 0 HA THR B2064 -24.613 22.160 6.510 1.00 16.12 H new ATOM 0 HB THR B2064 -22.401 21.726 6.752 1.00 16.43 H new ATOM 0 HG1 THR B2064 -21.375 22.426 8.660 1.00 16.04 H new ATOM 0 HG21 THR B2064 -21.336 23.814 6.785 1.00 17.39 H new ATOM 0 HG22 THR B2064 -22.658 23.887 5.915 1.00 17.39 H new ATOM 0 HG23 THR B2064 -22.646 24.469 7.388 1.00 17.39 H new ATOM 1221 N LEU B2065 -24.278 19.920 7.877 1.00 16.44 N ATOM 1222 CA LEU B2065 -24.492 18.715 8.671 1.00 16.99 C ATOM 1223 C LEU B2065 -23.665 18.722 9.961 1.00 15.85 C ATOM 1224 O LEU B2065 -24.173 18.370 11.028 1.00 16.43 O ATOM 1225 CB LEU B2065 -24.158 17.475 7.837 1.00 18.64 C ATOM 1226 CG LEU B2065 -25.317 16.691 7.211 1.00 18.26 C ATOM 1227 CD1 LEU B2065 -26.485 17.606 6.915 1.00 18.39 C ATOM 1228 CD2 LEU B2065 -24.838 16.008 5.943 1.00 20.02 C ATOM 0 H LEU B2065 -23.910 19.778 7.113 1.00 16.44 H new ATOM 0 HA LEU B2065 -25.427 18.694 8.927 1.00 16.99 H new ATOM 0 HB2 LEU B2065 -23.565 17.750 7.120 1.00 18.64 H new ATOM 0 HB3 LEU B2065 -23.657 16.865 8.401 1.00 18.64 H new ATOM 0 HG LEU B2065 -25.620 16.018 7.840 1.00 18.26 H new ATOM 0 HD11 LEU B2065 -27.207 17.092 6.520 1.00 18.39 H new ATOM 0 HD12 LEU B2065 -26.793 18.015 7.739 1.00 18.39 H new ATOM 0 HD13 LEU B2065 -26.205 18.298 6.296 1.00 18.39 H new ATOM 0 HD21 LEU B2065 -25.571 15.512 5.546 1.00 20.02 H new ATOM 0 HD22 LEU B2065 -24.523 16.676 5.315 1.00 20.02 H new ATOM 0 HD23 LEU B2065 -24.114 15.399 6.157 1.00 20.02 H new ATOM 1229 N LYS B2066 -22.447 19.253 9.879 1.00 13.58 N ATOM 1230 CA LYS B2066 -21.538 19.310 11.025 1.00 11.68 C ATOM 1231 C LYS B2066 -21.926 20.379 12.042 1.00 13.24 C ATOM 1232 O LYS B2066 -21.603 20.273 13.227 1.00 16.60 O ATOM 1233 CB LYS B2066 -20.107 19.561 10.558 1.00 11.09 C ATOM 1234 CG LYS B2066 -19.409 18.343 10.002 1.00 8.38 C ATOM 1235 CD LYS B2066 -17.959 18.662 9.722 1.00 11.00 C ATOM 1236 CE LYS B2066 -17.216 17.457 9.175 1.00 13.43 C ATOM 1237 NZ LYS B2066 -17.654 17.127 7.797 1.00 15.10 N ATOM 0 H LYS B2066 -22.123 19.591 9.157 1.00 13.58 H new ATOM 0 HA LYS B2066 -21.603 18.448 11.465 1.00 11.68 H new ATOM 0 HB2 LYS B2066 -20.117 20.253 9.878 1.00 11.09 H new ATOM 0 HB3 LYS B2066 -19.590 19.904 11.304 1.00 11.09 H new ATOM 0 HG2 LYS B2066 -19.471 17.609 10.633 1.00 8.38 H new ATOM 0 HG3 LYS B2066 -19.848 18.053 9.187 1.00 8.38 H new ATOM 0 HD2 LYS B2066 -17.905 19.392 9.086 1.00 11.00 H new ATOM 0 HD3 LYS B2066 -17.530 18.964 10.538 1.00 11.00 H new ATOM 0 HE2 LYS B2066 -16.262 17.635 9.179 1.00 13.43 H new ATOM 0 HE3 LYS B2066 -17.365 16.693 9.754 1.00 13.43 H new ATOM 0 HZ1 LYS B2066 -17.202 16.418 7.503 1.00 15.10 H new ATOM 0 HZ2 LYS B2066 -18.525 16.944 7.798 1.00 15.10 H new ATOM 0 HZ3 LYS B2066 -17.498 17.821 7.262 1.00 15.10 H new ATOM 1238 N GLU B2067 -22.555 21.445 11.562 1.00 9.62 N ATOM 1239 CA GLU B2067 -23.092 22.473 12.446 1.00 9.53 C ATOM 1240 C GLU B2067 -24.388 21.987 13.097 1.00 10.81 C ATOM 1241 O GLU B2067 -24.677 22.313 14.253 1.00 10.07 O ATOM 1242 CB GLU B2067 -23.332 23.772 11.664 1.00 8.50 C ATOM 1243 CG GLU B2067 -22.055 24.378 11.055 1.00 8.84 C ATOM 1244 CD GLU B2067 -22.285 25.681 10.286 1.00 7.36 C ATOM 1245 OE1 GLU B2067 -23.449 26.023 9.990 1.00 7.92 O ATOM 1246 OE2 GLU B2067 -21.287 26.351 9.943 1.00 6.83 O ATOM 0 H GLU B2067 -22.682 21.593 10.724 1.00 9.62 H new ATOM 0 HA GLU B2067 -22.446 22.652 13.147 1.00 9.53 H new ATOM 0 HB2 GLU B2067 -23.968 23.598 10.953 1.00 8.50 H new ATOM 0 HB3 GLU B2067 -23.739 24.425 12.255 1.00 8.50 H new ATOM 0 HG2 GLU B2067 -21.416 24.542 11.766 1.00 8.84 H new ATOM 0 HG3 GLU B2067 -21.654 23.728 10.457 1.00 8.84 H new ATOM 1247 N THR B2068 -25.134 21.154 12.375 1.00 7.89 N ATOM 1248 CA THR B2068 -26.364 20.561 12.896 1.00 8.99 C ATOM 1249 C THR B2068 -26.098 19.555 14.016 1.00 8.50 C ATOM 1250 O THR B2068 -26.714 19.634 15.075 1.00 8.24 O ATOM 1251 CB THR B2068 -27.170 19.864 11.782 1.00 9.45 C ATOM 1252 OG1 THR B2068 -27.581 20.836 10.811 1.00 8.73 O ATOM 1253 CG2 THR B2068 -28.408 19.182 12.355 1.00 5.36 C ATOM 0 H THR B2068 -24.942 20.917 11.571 1.00 7.89 H new ATOM 0 HA THR B2068 -26.880 21.298 13.259 1.00 8.99 H new ATOM 0 HB THR B2068 -26.605 19.193 11.368 1.00 9.45 H new ATOM 0 HG1 THR B2068 -26.927 21.041 10.326 1.00 8.73 H new ATOM 0 HG21 THR B2068 -28.900 18.750 11.639 1.00 5.36 H new ATOM 0 HG22 THR B2068 -28.138 18.517 13.008 1.00 5.36 H new ATOM 0 HG23 THR B2068 -28.974 19.844 12.782 1.00 5.36 H new ATOM 1254 N SER B2069 -25.127 18.668 13.811 1.00 7.40 N ATOM 1255 CA SER B2069 -24.766 17.676 14.827 1.00 10.34 C ATOM 1256 C SER B2069 -24.150 18.303 16.083 1.00 9.67 C ATOM 1257 O SER B2069 -24.512 17.942 17.204 1.00 13.47 O ATOM 1258 CB SER B2069 -23.804 16.632 14.244 1.00 11.39 C ATOM 1259 OG SER B2069 -22.516 17.179 14.011 1.00 17.39 O ATOM 0 H SER B2069 -24.663 18.622 13.089 1.00 7.40 H new ATOM 0 HA SER B2069 -25.593 17.247 15.096 1.00 10.34 H new ATOM 0 HB2 SER B2069 -23.732 15.882 14.854 1.00 11.39 H new ATOM 0 HB3 SER B2069 -24.165 16.287 13.412 1.00 11.39 H new ATOM 0 HG SER B2069 -22.013 16.586 13.694 1.00 17.39 H new ATOM 1260 N PHE B2070 -23.265 19.281 15.897 1.00 8.66 N ATOM 1261 CA PHE B2070 -22.733 20.064 17.013 1.00 9.02 C ATOM 1262 C PHE B2070 -23.863 20.707 17.817 1.00 10.27 C ATOM 1263 O PHE B2070 -23.884 20.631 19.046 1.00 11.46 O ATOM 1264 CB PHE B2070 -21.784 21.150 16.496 1.00 9.01 C ATOM 1265 CG PHE B2070 -21.096 21.942 17.582 1.00 10.03 C ATOM 1266 CD1 PHE B2070 -21.671 23.104 18.089 1.00 10.41 C ATOM 1267 CD2 PHE B2070 -19.843 21.561 18.054 1.00 11.24 C ATOM 1268 CE1 PHE B2070 -21.007 23.872 19.042 1.00 4.16 C ATOM 1269 CE2 PHE B2070 -19.173 22.326 19.005 1.00 6.08 C ATOM 1270 CZ PHE B2070 -19.759 23.482 19.498 1.00 2.32 C ATOM 0 H PHE B2070 -22.958 19.509 15.127 1.00 8.66 H new ATOM 0 HA PHE B2070 -22.243 19.462 17.595 1.00 9.02 H new ATOM 0 HB2 PHE B2070 -21.109 20.735 15.936 1.00 9.01 H new ATOM 0 HB3 PHE B2070 -22.284 21.761 15.932 1.00 9.01 H new ATOM 0 HD1 PHE B2070 -22.509 23.371 17.787 1.00 10.41 H new ATOM 0 HD2 PHE B2070 -19.448 20.784 17.729 1.00 11.24 H new ATOM 0 HE1 PHE B2070 -21.402 24.647 19.372 1.00 4.16 H new ATOM 0 HE2 PHE B2070 -18.335 22.062 19.309 1.00 6.08 H new ATOM 0 HZ PHE B2070 -19.314 23.995 20.134 1.00 2.32 H new ATOM 1271 N ASN B2071 -24.840 21.269 17.113 1.00 10.57 N ATOM 1272 CA ASN B2071 -25.974 21.930 17.750 1.00 8.44 C ATOM 1273 C ASN B2071 -26.837 20.954 18.548 1.00 10.26 C ATOM 1274 O ASN B2071 -27.246 21.252 19.670 1.00 15.15 O ATOM 1275 CB ASN B2071 -26.829 22.637 16.699 1.00 7.94 C ATOM 1276 CG ASN B2071 -27.782 23.652 17.306 1.00 4.50 C ATOM 1277 OD1 ASN B2071 -27.269 24.493 18.175 1.00 13.39 O flip ATOM 1278 ND2 ASN B2071 -28.967 23.671 16.997 1.00 6.94 N flip ATOM 0 H ASN B2071 -24.864 21.278 16.253 1.00 10.57 H new ATOM 0 HA ASN B2071 -25.615 22.581 18.373 1.00 8.44 H new ATOM 0 HB2 ASN B2071 -26.249 23.084 16.063 1.00 7.94 H new ATOM 0 HB3 ASN B2071 -27.338 21.976 16.204 1.00 7.94 H new ATOM 0 HD21 ASN B2071 -29.271 23.106 16.424 1.00 6.94 H new ATOM 0 HD22 ASN B2071 -29.495 24.249 17.353 1.00 6.94 H new ATOM 1279 N GLN B2072 -27.029 19.759 17.999 1.00 10.53 N ATOM 1280 CA GLN B2072 -27.820 18.718 18.656 1.00 6.95 C ATOM 1281 C GLN B2072 -27.154 18.236 19.940 1.00 6.61 C ATOM 1282 O GLN B2072 -27.830 17.956 20.923 1.00 6.71 O ATOM 1283 CB GLN B2072 -28.023 17.529 17.705 1.00 3.76 C ATOM 1284 CG GLN B2072 -28.816 17.862 16.440 1.00 7.59 C ATOM 1285 CD GLN B2072 -28.729 16.776 15.373 1.00 6.56 C ATOM 1286 OE1 GLN B2072 -27.738 16.057 15.275 1.00 4.83 O ATOM 1287 NE2 GLN B2072 -29.771 16.654 14.574 1.00 6.86 N ATOM 0 H GLN B2072 -26.706 19.527 17.237 1.00 10.53 H new ATOM 0 HA GLN B2072 -28.680 19.103 18.886 1.00 6.95 H new ATOM 0 HB2 GLN B2072 -27.154 17.183 17.448 1.00 3.76 H new ATOM 0 HB3 GLN B2072 -28.481 16.820 18.184 1.00 3.76 H new ATOM 0 HG2 GLN B2072 -29.746 18.002 16.676 1.00 7.59 H new ATOM 0 HG3 GLN B2072 -28.489 18.697 16.071 1.00 7.59 H new ATOM 0 HE21 GLN B2072 -30.449 17.174 14.670 1.00 6.86 H new ATOM 0 HE22 GLN B2072 -29.772 16.055 13.957 1.00 6.86 H new ATOM 1288 N ALA B2073 -25.825 18.203 19.948 1.00 6.95 N ATOM 1289 CA ALA B2073 -25.073 17.705 21.094 1.00 7.05 C ATOM 1290 C ALA B2073 -24.845 18.751 22.179 1.00 7.79 C ATOM 1291 O ALA B2073 -24.982 18.462 23.368 1.00 9.83 O ATOM 1292 CB ALA B2073 -23.736 17.135 20.636 1.00 3.27 C ATOM 0 H ALA B2073 -25.336 18.468 19.292 1.00 6.95 H new ATOM 0 HA ALA B2073 -25.618 17.009 21.493 1.00 7.05 H new ATOM 0 HB1 ALA B2073 -23.244 16.807 21.405 1.00 3.27 H new ATOM 0 HB2 ALA B2073 -23.890 16.405 20.016 1.00 3.27 H new ATOM 0 HB3 ALA B2073 -23.222 17.830 20.196 1.00 3.27 H new ATOM 1293 N TYR B2074 -24.452 19.953 21.773 1.00 7.75 N ATOM 1294 CA TYR B2074 -23.973 20.960 22.713 1.00 9.40 C ATOM 1295 C TYR B2074 -24.837 22.209 22.780 1.00 8.15 C ATOM 1296 O TYR B2074 -24.637 23.059 23.651 1.00 13.03 O ATOM 1297 CB TYR B2074 -22.541 21.360 22.369 1.00 7.76 C ATOM 1298 CG TYR B2074 -21.589 20.196 22.274 1.00 13.73 C ATOM 1299 CD1 TYR B2074 -21.427 19.307 23.341 1.00 13.43 C ATOM 1300 CD2 TYR B2074 -20.857 19.969 21.113 1.00 14.44 C ATOM 1301 CE1 TYR B2074 -20.566 18.227 23.248 1.00 14.68 C ATOM 1302 CE2 TYR B2074 -19.994 18.891 21.009 1.00 13.43 C ATOM 1303 CZ TYR B2074 -19.857 18.024 22.075 1.00 15.18 C ATOM 1304 OH TYR B2074 -19.038 16.933 21.941 1.00 20.53 O ATOM 0 H TYR B2074 -24.455 20.207 20.951 1.00 7.75 H new ATOM 0 HA TYR B2074 -24.017 20.543 23.588 1.00 9.40 H new ATOM 0 HB2 TYR B2074 -22.542 21.836 21.524 1.00 7.76 H new ATOM 0 HB3 TYR B2074 -22.216 21.978 23.042 1.00 7.76 H new ATOM 0 HD1 TYR B2074 -21.906 19.444 24.126 1.00 13.43 H new ATOM 0 HD2 TYR B2074 -20.949 20.552 20.394 1.00 14.44 H new ATOM 0 HE1 TYR B2074 -20.465 17.644 23.965 1.00 14.68 H new ATOM 0 HE2 TYR B2074 -19.510 18.752 20.227 1.00 13.43 H new ATOM 0 HH TYR B2074 -19.339 16.298 22.401 1.00 20.53 H new ATOM 1305 N GLY B2075 -25.871 22.260 21.947 1.00 11.59 N ATOM 1306 CA GLY B2075 -26.685 23.459 21.834 1.00 9.26 C ATOM 1307 C GLY B2075 -27.412 23.886 23.101 1.00 10.46 C ATOM 1308 O GLY B2075 -27.450 25.068 23.420 1.00 9.83 O ATOM 0 H GLY B2075 -26.116 21.610 21.440 1.00 11.59 H new ATOM 0 HA2 GLY B2075 -26.116 24.190 21.545 1.00 9.26 H new ATOM 0 HA3 GLY B2075 -27.343 23.319 21.135 1.00 9.26 H new ATOM 1309 N ARG B2076 -28.009 22.941 23.818 1.00 10.34 N ATOM 1310 CA ARG B2076 -28.729 23.260 25.048 1.00 13.32 C ATOM 1311 C ARG B2076 -27.795 23.786 26.138 1.00 11.95 C ATOM 1312 O ARG B2076 -28.099 24.770 26.807 1.00 11.45 O ATOM 1313 CB ARG B2076 -29.472 22.029 25.568 1.00 18.86 C ATOM 1314 CG ARG B2076 -30.419 22.321 26.722 1.00 27.11 C ATOM 1315 CD ARG B2076 -30.974 21.041 27.335 1.00 35.40 C ATOM 1316 NE ARG B2076 -32.233 21.284 28.038 1.00 41.62 N ATOM 1317 CZ ARG B2076 -32.975 20.339 28.610 1.00 44.67 C ATOM 1318 NH1 ARG B2076 -32.576 19.073 28.609 1.00 45.33 N ATOM 1319 NH2 ARG B2076 -34.119 20.664 29.198 1.00 47.29 N ATOM 0 H ARG B2076 -28.010 22.107 23.610 1.00 10.34 H new ATOM 0 HA ARG B2076 -29.365 23.959 24.831 1.00 13.32 H new ATOM 0 HB2 ARG B2076 -29.977 21.635 24.839 1.00 18.86 H new ATOM 0 HB3 ARG B2076 -28.823 21.367 25.854 1.00 18.86 H new ATOM 0 HG2 ARG B2076 -29.952 22.830 27.403 1.00 27.11 H new ATOM 0 HG3 ARG B2076 -31.152 22.873 26.408 1.00 27.11 H new ATOM 0 HD2 ARG B2076 -31.114 20.381 26.638 1.00 35.40 H new ATOM 0 HD3 ARG B2076 -30.325 20.668 27.952 1.00 35.40 H new ATOM 0 HE ARG B2076 -32.514 22.095 28.085 1.00 41.62 H new ATOM 0 HH11 ARG B2076 -31.832 18.857 28.236 1.00 45.33 H new ATOM 0 HH12 ARG B2076 -33.062 18.469 28.981 1.00 45.33 H new ATOM 0 HH21 ARG B2076 -34.379 21.484 29.209 1.00 47.29 H new ATOM 0 HH22 ARG B2076 -34.600 20.055 29.568 1.00 47.29 H new ATOM 1320 N ASP B2077 -26.640 23.149 26.285 1.00 12.86 N ATOM 1321 CA ASP B2077 -25.670 23.516 27.309 1.00 13.08 C ATOM 1322 C ASP B2077 -25.099 24.918 27.122 1.00 13.25 C ATOM 1323 O ASP B2077 -24.954 25.666 28.087 1.00 16.00 O ATOM 1324 CB ASP B2077 -24.535 22.489 27.345 1.00 12.25 C ATOM 1325 CG ASP B2077 -24.926 21.202 28.066 1.00 15.73 C ATOM 1326 OD1 ASP B2077 -26.051 21.117 28.599 1.00 17.75 O ATOM 1327 OD2 ASP B2077 -24.104 20.264 28.098 1.00 19.24 O ATOM 0 H ASP B2077 -26.395 22.489 25.791 1.00 12.86 H new ATOM 0 HA ASP B2077 -26.145 23.520 28.155 1.00 13.08 H new ATOM 0 HB2 ASP B2077 -24.267 22.278 26.437 1.00 12.25 H new ATOM 0 HB3 ASP B2077 -23.764 22.880 27.785 1.00 12.25 H new ATOM 1328 N LEU B2078 -24.788 25.274 25.878 1.00 13.01 N ATOM 1329 CA LEU B2078 -24.262 26.598 25.556 1.00 10.70 C ATOM 1330 C LEU B2078 -25.288 27.706 25.768 1.00 14.13 C ATOM 1331 O LEU B2078 -24.948 28.801 26.225 1.00 12.38 O ATOM 1332 CB LEU B2078 -23.774 26.635 24.111 1.00 8.87 C ATOM 1333 CG LEU B2078 -22.574 25.742 23.816 1.00 10.06 C ATOM 1334 CD1 LEU B2078 -22.311 25.729 22.326 1.00 9.93 C ATOM 1335 CD2 LEU B2078 -21.363 26.245 24.575 1.00 7.49 C ATOM 0 H LEU B2078 -24.876 24.755 25.198 1.00 13.01 H new ATOM 0 HA LEU B2078 -23.524 26.759 26.164 1.00 10.70 H new ATOM 0 HB2 LEU B2078 -24.505 26.374 23.530 1.00 8.87 H new ATOM 0 HB3 LEU B2078 -23.544 27.550 23.884 1.00 8.87 H new ATOM 0 HG LEU B2078 -22.760 24.835 24.106 1.00 10.06 H new ATOM 0 HD11 LEU B2078 -21.548 25.161 22.137 1.00 9.93 H new ATOM 0 HD12 LEU B2078 -23.091 25.386 21.862 1.00 9.93 H new ATOM 0 HD13 LEU B2078 -22.125 26.631 22.022 1.00 9.93 H new ATOM 0 HD21 LEU B2078 -20.602 25.675 24.385 1.00 7.49 H new ATOM 0 HD22 LEU B2078 -21.163 27.153 24.300 1.00 7.49 H new ATOM 0 HD23 LEU B2078 -21.548 26.230 25.527 1.00 7.49 H new ATOM 1336 N MET B2079 -26.535 27.423 25.401 1.00 16.16 N ATOM 1337 CA MET B2079 -27.630 28.369 25.588 1.00 18.61 C ATOM 1338 C MET B2079 -27.942 28.593 27.061 1.00 18.31 C ATOM 1339 O MET B2079 -28.244 29.712 27.476 1.00 21.46 O ATOM 1340 CB MET B2079 -28.886 27.875 24.873 1.00 24.32 C ATOM 1341 CG MET B2079 -29.414 28.843 23.835 1.00 33.89 C ATOM 1342 SD MET B2079 -31.080 28.428 23.318 1.00 45.44 S ATOM 1343 CE MET B2079 -30.787 26.873 22.469 1.00 41.65 C ATOM 0 H MET B2079 -26.769 26.679 25.038 1.00 16.16 H new ATOM 0 HA MET B2079 -27.346 29.215 25.207 1.00 18.61 H new ATOM 0 HB2 MET B2079 -28.692 27.027 24.444 1.00 24.32 H new ATOM 0 HB3 MET B2079 -29.579 27.708 25.531 1.00 24.32 H new ATOM 0 HG2 MET B2079 -29.403 29.743 24.197 1.00 33.89 H new ATOM 0 HG3 MET B2079 -28.826 28.841 23.063 1.00 33.89 H new ATOM 0 HE1 MET B2079 -31.585 26.614 21.983 1.00 41.65 H new ATOM 0 HE2 MET B2079 -30.050 26.978 21.847 1.00 41.65 H new ATOM 0 HE3 MET B2079 -30.567 26.186 23.118 1.00 41.65 H new ATOM 1344 N GLU B2080 -27.843 27.532 27.854 1.00 17.43 N ATOM 1345 CA GLU B2080 -27.997 27.636 29.303 1.00 16.18 C ATOM 1346 C GLU B2080 -26.858 28.438 29.944 1.00 12.38 C ATOM 1347 O GLU B2080 -27.098 29.322 30.767 1.00 14.01 O ATOM 1348 CB GLU B2080 -28.067 26.239 29.915 1.00 16.36 C ATOM 1349 CG GLU B2080 -28.809 26.171 31.228 1.00 22.49 C ATOM 1350 CD GLU B2080 -28.915 24.751 31.747 1.00 28.03 C ATOM 1351 OE1 GLU B2080 -27.950 24.278 32.385 1.00 30.33 O ATOM 1352 OE2 GLU B2080 -29.949 24.099 31.493 1.00 30.00 O ATOM 0 H GLU B2080 -27.686 26.735 27.571 1.00 17.43 H new ATOM 0 HA GLU B2080 -28.823 28.113 29.481 1.00 16.18 H new ATOM 0 HB2 GLU B2080 -28.496 25.642 29.282 1.00 16.36 H new ATOM 0 HB3 GLU B2080 -27.164 25.910 30.049 1.00 16.36 H new ATOM 0 HG2 GLU B2080 -28.354 26.721 31.885 1.00 22.49 H new ATOM 0 HG3 GLU B2080 -29.699 26.541 31.115 1.00 22.49 H new ATOM 1353 N ALA B2081 -25.626 28.184 29.512 1.00 10.17 N ATOM 1354 CA ALA B2081 -24.468 28.952 29.968 1.00 7.03 C ATOM 1355 C ALA B2081 -24.589 30.456 29.670 1.00 7.30 C ATOM 1356 O ALA B2081 -24.305 31.290 30.531 1.00 9.50 O ATOM 1357 CB ALA B2081 -23.199 28.393 29.353 1.00 2.00 C ATOM 0 H ALA B2081 -25.437 27.563 28.948 1.00 10.17 H new ATOM 0 HA ALA B2081 -24.432 28.863 30.933 1.00 7.03 H new ATOM 0 HB1 ALA B2081 -22.436 28.908 29.660 1.00 2.00 H new ATOM 0 HB2 ALA B2081 -23.091 27.466 29.619 1.00 2.00 H new ATOM 0 HB3 ALA B2081 -23.257 28.447 28.386 1.00 2.00 H new ATOM 1358 N GLN B2082 -25.063 30.793 28.472 1.00 7.00 N ATOM 1359 CA GLN B2082 -25.327 32.187 28.105 1.00 8.09 C ATOM 1360 C GLN B2082 -26.332 32.822 29.063 1.00 12.69 C ATOM 1361 O GLN B2082 -26.165 33.963 29.504 1.00 11.69 O ATOM 1362 CB GLN B2082 -25.869 32.257 26.675 1.00 12.18 C ATOM 1363 CG GLN B2082 -26.183 33.664 26.185 1.00 14.26 C ATOM 1364 CD GLN B2082 -26.754 33.682 24.778 1.00 16.78 C ATOM 1365 OE1 GLN B2082 -26.204 34.316 23.888 1.00 21.47 O ATOM 1366 NE2 GLN B2082 -27.834 32.961 24.565 1.00 17.58 N ATOM 0 H GLN B2082 -25.240 30.225 27.851 1.00 7.00 H new ATOM 0 HA GLN B2082 -24.492 32.678 28.161 1.00 8.09 H new ATOM 0 HB2 GLN B2082 -25.220 31.856 26.076 1.00 12.18 H new ATOM 0 HB3 GLN B2082 -26.675 31.721 26.621 1.00 12.18 H new ATOM 0 HG2 GLN B2082 -26.815 34.080 26.792 1.00 14.26 H new ATOM 0 HG3 GLN B2082 -25.374 34.198 26.208 1.00 14.26 H new ATOM 0 HE21 GLN B2082 -28.196 32.527 25.213 1.00 17.58 H new ATOM 0 HE22 GLN B2082 -28.178 32.924 23.778 1.00 17.58 H new ATOM 1367 N GLU B2083 -27.325 32.035 29.460 1.00 13.85 N ATOM 1368 CA GLU B2083 -28.307 32.476 30.434 1.00 15.60 C ATOM 1369 C GLU B2083 -27.718 32.782 31.807 1.00 15.14 C ATOM 1370 O GLU B2083 -28.118 33.757 32.438 1.00 16.14 O ATOM 1371 CB GLU B2083 -29.418 31.441 30.569 1.00 19.76 C ATOM 1372 CG AGLU B2083 -30.235 31.278 29.301 0.50 26.26 C ATOM 1373 CG BGLU B2083 -30.751 31.872 29.989 0.50 26.26 C ATOM 1374 CD AGLU B2083 -31.709 31.069 29.564 0.50 35.89 C ATOM 1375 CD BGLU B2083 -31.446 32.908 30.850 0.50 35.89 C ATOM 1376 OE1AGLU B2083 -32.120 31.056 30.746 0.50 36.71 O ATOM 1377 OE1BGLU B2083 -31.939 32.538 31.939 0.50 36.71 O ATOM 1378 OE2AGLU B2083 -32.462 30.924 28.578 0.50 36.93 O ATOM 1379 OE2BGLU B2083 -31.537 34.079 30.419 0.50 36.93 O ATOM 0 H GLU B2083 -27.446 31.234 29.172 1.00 13.85 H new ATOM 0 HA GLU B2083 -28.664 33.312 30.094 1.00 15.60 H new ATOM 0 HB2AGLU B2083 -29.029 30.586 30.809 0.50 19.76 H new ATOM 0 HB2BGLU B2083 -29.137 30.622 30.131 0.50 19.76 H new ATOM 0 HB3AGLU B2083 -30.006 31.699 31.296 0.50 19.76 H new ATOM 0 HB3BGLU B2083 -29.539 31.233 31.509 0.50 19.76 H new ATOM 0 HG2AGLU B2083 -30.120 32.065 28.746 0.50 26.26 H new ATOM 0 HG2BGLU B2083 -30.612 32.234 29.100 0.50 26.26 H new ATOM 0 HG3AGLU B2083 -29.892 30.523 28.797 0.50 26.26 H new ATOM 0 HG3BGLU B2083 -31.325 31.096 29.893 0.50 26.26 H new ATOM 1380 N TRP B2084 -26.790 31.953 32.280 1.00 14.36 N ATOM 1381 CA TRP B2084 -26.107 32.222 33.546 1.00 15.16 C ATOM 1382 C TRP B2084 -25.200 33.458 33.483 1.00 15.56 C ATOM 1383 O TRP B2084 -25.043 34.173 34.473 1.00 19.10 O ATOM 1384 CB TRP B2084 -25.292 31.005 33.984 1.00 17.24 C ATOM 1385 CG TRP B2084 -26.136 29.862 34.469 1.00 17.81 C ATOM 1386 CD1 TRP B2084 -26.394 28.699 33.808 1.00 18.63 C ATOM 1387 CD2 TRP B2084 -26.848 29.781 35.712 1.00 18.28 C ATOM 1388 NE1 TRP B2084 -27.222 27.902 34.553 1.00 17.27 N ATOM 1389 CE2 TRP B2084 -27.516 28.539 35.727 1.00 18.38 C ATOM 1390 CE3 TRP B2084 -26.983 30.639 36.811 1.00 17.12 C ATOM 1391 CZ2 TRP B2084 -28.314 28.129 36.803 1.00 19.75 C ATOM 1392 CZ3 TRP B2084 -27.775 30.233 37.879 1.00 20.85 C ATOM 1393 CH2 TRP B2084 -28.430 28.988 37.864 1.00 21.41 C ATOM 0 H TRP B2084 -26.541 31.231 31.885 1.00 14.36 H new ATOM 0 HA TRP B2084 -26.800 32.406 34.199 1.00 15.16 H new ATOM 0 HB2 TRP B2084 -24.749 30.703 33.239 1.00 17.24 H new ATOM 0 HB3 TRP B2084 -24.682 31.270 34.690 1.00 17.24 H new ATOM 0 HD1 TRP B2084 -26.056 28.478 32.970 1.00 18.63 H new ATOM 0 HE1 TRP B2084 -27.511 27.126 34.320 1.00 17.27 H new ATOM 0 HE3 TRP B2084 -26.552 31.463 36.826 1.00 17.12 H new ATOM 0 HZ2 TRP B2084 -28.748 27.306 36.797 1.00 19.75 H new ATOM 0 HZ3 TRP B2084 -27.873 30.793 38.615 1.00 20.85 H new ATOM 0 HH2 TRP B2084 -28.954 28.742 38.592 1.00 21.41 H new ATOM 1394 N CYS B2085 -24.594 33.690 32.320 1.00 14.86 N ATOM 1395 CA CYS B2085 -23.890 34.943 32.040 1.00 14.53 C ATOM 1396 C CYS B2085 -24.847 36.135 32.087 1.00 13.38 C ATOM 1397 O CYS B2085 -24.525 37.182 32.643 1.00 14.96 O ATOM 1398 CB CYS B2085 -23.231 34.893 30.657 1.00 11.94 C ATOM 1399 SG CYS B2085 -21.756 33.858 30.550 1.00 19.15 S ATOM 0 H CYS B2085 -24.579 33.126 31.671 1.00 14.86 H new ATOM 0 HA CYS B2085 -23.210 35.052 32.723 1.00 14.53 H new ATOM 0 HB2 CYS B2085 -23.883 34.571 30.015 1.00 11.94 H new ATOM 0 HB3 CYS B2085 -22.995 35.796 30.393 1.00 11.94 H new ATOM 0 HG CYS B2085 -21.782 33.227 29.530 1.00 19.15 H new ATOM 1400 N ARG B2086 -26.031 35.949 31.513 1.00 14.53 N ATOM 1401 CA ARG B2086 -27.077 36.970 31.481 1.00 15.40 C ATOM 1402 C ARG B2086 -27.546 37.321 32.890 1.00 15.65 C ATOM 1403 O ARG B2086 -27.733 38.492 33.223 1.00 17.80 O ATOM 1404 CB ARG B2086 -28.262 36.458 30.660 1.00 19.91 C ATOM 1405 CG ARG B2086 -28.984 37.520 29.848 1.00 29.29 C ATOM 1406 CD ARG B2086 -30.054 36.904 28.937 1.00 35.48 C ATOM 1407 NE ARG B2086 -29.475 36.041 27.908 1.00 36.64 N ATOM 1408 CZ ARG B2086 -30.112 35.030 27.323 1.00 38.14 C ATOM 1409 NH1 ARG B2086 -31.388 34.788 27.598 1.00 37.96 N ATOM 1410 NH2 ARG B2086 -29.479 34.275 26.437 1.00 35.98 N ATOM 0 H ARG B2086 -26.254 35.215 31.125 1.00 14.53 H new ATOM 0 HA ARG B2086 -26.711 37.771 31.074 1.00 15.40 H new ATOM 0 HB2 ARG B2086 -27.946 35.767 30.057 1.00 19.91 H new ATOM 0 HB3 ARG B2086 -28.899 36.040 31.261 1.00 19.91 H new ATOM 0 HG2 ARG B2086 -29.398 38.161 30.447 1.00 29.29 H new ATOM 0 HG3 ARG B2086 -28.342 38.009 29.310 1.00 29.29 H new ATOM 0 HD2 ARG B2086 -30.677 36.390 29.474 1.00 35.48 H new ATOM 0 HD3 ARG B2086 -30.563 37.613 28.513 1.00 35.48 H new ATOM 0 HE ARG B2086 -28.666 36.198 27.664 1.00 36.64 H new ATOM 0 HH11 ARG B2086 -31.809 35.287 28.158 1.00 37.96 H new ATOM 0 HH12 ARG B2086 -31.793 34.133 27.216 1.00 37.96 H new ATOM 0 HH21 ARG B2086 -28.658 34.439 26.241 1.00 35.98 H new ATOM 0 HH22 ARG B2086 -29.889 33.621 26.058 1.00 35.98 H new ATOM 1411 N LYS B2087 -27.710 36.296 33.720 1.00 16.03 N ATOM 1412 CA LYS B2087 -28.112 36.484 35.112 1.00 16.96 C ATOM 1413 C LYS B2087 -27.048 37.226 35.918 1.00 15.33 C ATOM 1414 O LYS B2087 -27.359 38.147 36.671 1.00 15.68 O ATOM 1415 CB LYS B2087 -28.410 35.131 35.764 1.00 18.35 C ATOM 1416 CG LYS B2087 -29.699 34.496 35.291 1.00 17.80 C ATOM 1417 CD LYS B2087 -29.913 33.152 35.950 1.00 23.00 C ATOM 1418 CE LYS B2087 -31.250 32.556 35.557 1.00 23.44 C ATOM 1419 NZ LYS B2087 -31.365 31.134 35.985 1.00 27.25 N ATOM 0 H LYS B2087 -27.592 35.475 33.494 1.00 16.03 H new ATOM 0 HA LYS B2087 -28.915 37.028 35.111 1.00 16.96 H new ATOM 0 HB2 LYS B2087 -27.675 34.525 35.582 1.00 18.35 H new ATOM 0 HB3 LYS B2087 -28.450 35.247 36.726 1.00 18.35 H new ATOM 0 HG2 LYS B2087 -30.445 35.082 35.493 1.00 17.80 H new ATOM 0 HG3 LYS B2087 -29.676 34.388 34.327 1.00 17.80 H new ATOM 0 HD2 LYS B2087 -29.199 32.547 35.696 1.00 23.00 H new ATOM 0 HD3 LYS B2087 -29.871 33.251 36.914 1.00 23.00 H new ATOM 0 HE2 LYS B2087 -31.966 33.074 35.957 1.00 23.44 H new ATOM 0 HE3 LYS B2087 -31.361 32.615 34.595 1.00 23.44 H new ATOM 0 HZ1 LYS B2087 -32.214 30.950 36.179 1.00 27.25 H new ATOM 0 HZ2 LYS B2087 -31.090 30.602 35.327 1.00 27.25 H new ATOM 0 HZ3 LYS B2087 -30.860 30.999 36.706 1.00 27.25 H new ATOM 1420 N TYR B2088 -25.788 36.857 35.721 1.00 13.88 N ATOM 1421 CA TYR B2088 -24.683 37.591 36.325 1.00 11.03 C ATOM 1422 C TYR B2088 -24.787 39.084 36.032 1.00 15.49 C ATOM 1423 O TYR B2088 -24.593 39.917 36.915 1.00 16.54 O ATOM 1424 CB TYR B2088 -23.346 37.085 35.796 1.00 5.94 C ATOM 1425 CG TYR B2088 -22.193 37.947 36.244 1.00 3.12 C ATOM 1426 CD1 TYR B2088 -21.863 38.033 37.594 1.00 3.98 C ATOM 1427 CD2 TYR B2088 -21.497 38.752 35.341 1.00 2.38 C ATOM 1428 CE1 TYR B2088 -20.878 38.891 38.037 1.00 2.00 C ATOM 1429 CE2 TYR B2088 -20.506 39.620 35.778 1.00 4.95 C ATOM 1430 CZ TYR B2088 -20.203 39.678 37.134 1.00 2.08 C ATOM 1431 OH TYR B2088 -19.206 40.495 37.599 1.00 2.69 O ATOM 0 H TYR B2088 -25.551 36.184 35.241 1.00 13.88 H new ATOM 0 HA TYR B2088 -24.734 37.447 37.283 1.00 11.03 H new ATOM 0 HB2 TYR B2088 -23.204 36.175 36.099 1.00 5.94 H new ATOM 0 HB3 TYR B2088 -23.372 37.061 34.827 1.00 5.94 H new ATOM 0 HD1 TYR B2088 -22.315 37.502 38.209 1.00 3.98 H new ATOM 0 HD2 TYR B2088 -21.700 38.706 34.435 1.00 2.38 H new ATOM 0 HE1 TYR B2088 -20.671 38.937 38.943 1.00 2.00 H new ATOM 0 HE2 TYR B2088 -20.050 40.157 35.171 1.00 4.95 H new ATOM 0 HH TYR B2088 -18.871 40.921 36.958 1.00 2.69 H new ATOM 1432 N MET B2089 -25.065 39.407 34.775 1.00 16.91 N ATOM 1433 CA MET B2089 -25.213 40.788 34.338 1.00 19.31 C ATOM 1434 C MET B2089 -26.210 41.596 35.181 1.00 18.53 C ATOM 1435 O MET B2089 -25.948 42.755 35.518 1.00 16.87 O ATOM 1436 CB MET B2089 -25.615 40.816 32.859 1.00 22.29 C ATOM 1437 CG MET B2089 -24.502 40.373 31.910 1.00 28.99 C ATOM 1438 SD MET B2089 -25.012 40.221 30.177 1.00 32.08 S ATOM 1439 CE MET B2089 -23.483 39.698 29.411 1.00 32.44 C ATOM 0 H MET B2089 -25.174 38.828 34.149 1.00 16.91 H new ATOM 0 HA MET B2089 -24.352 41.217 34.461 1.00 19.31 H new ATOM 0 HB2 MET B2089 -26.386 40.241 32.731 1.00 22.29 H new ATOM 0 HB3 MET B2089 -25.890 41.716 32.624 1.00 22.29 H new ATOM 0 HG2 MET B2089 -23.772 41.009 31.966 1.00 28.99 H new ATOM 0 HG3 MET B2089 -24.157 39.518 32.210 1.00 28.99 H new ATOM 0 HE1 MET B2089 -23.644 39.487 28.478 1.00 32.44 H new ATOM 0 HE2 MET B2089 -22.829 40.412 29.472 1.00 32.44 H new ATOM 0 HE3 MET B2089 -23.145 38.911 29.867 1.00 32.44 H new ATOM 1440 N LYS B2090 -27.320 40.978 35.574 1.00 16.95 N ATOM 1441 CA LYS B2090 -28.311 41.678 36.390 1.00 19.35 C ATOM 1442 C LYS B2090 -28.059 41.629 37.905 1.00 18.61 C ATOM 1443 O LYS B2090 -28.369 42.581 38.619 1.00 19.45 O ATOM 1444 CB LYS B2090 -29.731 41.175 36.068 1.00 23.94 C ATOM 1445 CG LYS B2090 -30.032 39.710 36.418 1.00 32.15 C ATOM 1446 CD LYS B2090 -30.452 39.507 37.883 1.00 38.71 C ATOM 1447 CE LYS B2090 -31.694 40.314 38.250 1.00 41.33 C ATOM 1448 NZ LYS B2090 -31.825 40.481 39.728 1.00 45.93 N ATOM 0 H LYS B2090 -27.518 40.163 35.382 1.00 16.95 H new ATOM 0 HA LYS B2090 -28.222 42.612 36.146 1.00 19.35 H new ATOM 0 HB2 LYS B2090 -30.367 41.737 36.538 1.00 23.94 H new ATOM 0 HB3 LYS B2090 -29.890 41.300 35.119 1.00 23.94 H new ATOM 0 HG2 LYS B2090 -30.738 39.384 35.838 1.00 32.15 H new ATOM 0 HG3 LYS B2090 -29.245 39.173 36.237 1.00 32.15 H new ATOM 0 HD2 LYS B2090 -30.623 38.565 38.040 1.00 38.71 H new ATOM 0 HD3 LYS B2090 -29.720 39.763 38.465 1.00 38.71 H new ATOM 0 HE2 LYS B2090 -31.650 41.186 37.828 1.00 41.33 H new ATOM 0 HE3 LYS B2090 -32.483 39.870 37.903 1.00 41.33 H new ATOM 0 HZ1 LYS B2090 -32.556 40.954 39.910 1.00 45.93 H new ATOM 0 HZ2 LYS B2090 -31.886 39.681 40.113 1.00 45.93 H new ATOM 0 HZ3 LYS B2090 -31.110 40.907 40.043 1.00 45.93 H new ATOM 1449 N SER B2091 -27.437 40.552 38.375 1.00 17.85 N ATOM 1450 CA SER B2091 -27.348 40.271 39.807 1.00 16.58 C ATOM 1451 C SER B2091 -26.070 40.776 40.462 1.00 15.47 C ATOM 1452 O SER B2091 -26.064 41.095 41.649 1.00 17.54 O ATOM 1453 CB SER B2091 -27.457 38.769 40.055 1.00 14.98 C ATOM 1454 OG SER B2091 -26.324 38.092 39.535 1.00 17.08 O ATOM 0 H SER B2091 -27.056 39.965 37.876 1.00 17.85 H new ATOM 0 HA SER B2091 -28.087 40.752 40.211 1.00 16.58 H new ATOM 0 HB2 SER B2091 -27.533 38.598 41.007 1.00 14.98 H new ATOM 0 HB3 SER B2091 -28.264 38.426 39.640 1.00 14.98 H new ATOM 0 HG SER B2091 -26.501 37.276 39.446 1.00 17.08 H new ATOM 1455 N GLY B2092 -24.966 40.712 39.724 1.00 13.91 N ATOM 1456 CA GLY B2092 -23.663 41.014 40.296 1.00 11.26 C ATOM 1457 C GLY B2092 -23.087 39.828 41.049 1.00 11.24 C ATOM 1458 O GLY B2092 -21.940 39.850 41.509 1.00 8.61 O ATOM 0 H GLY B2092 -24.952 40.496 38.892 1.00 13.91 H new ATOM 0 HA2 GLY B2092 -23.052 41.275 39.589 1.00 11.26 H new ATOM 0 HA3 GLY B2092 -23.742 41.771 40.897 1.00 11.26 H new ATOM 1459 N ASN B2093 -23.862 38.750 41.083 1.00 11.70 N ATOM 1460 CA ASN B2093 -23.504 37.545 41.819 1.00 13.28 C ATOM 1461 C ASN B2093 -22.455 36.743 41.059 1.00 11.21 C ATOM 1462 O ASN B2093 -22.790 35.988 40.150 1.00 12.75 O ATOM 1463 CB ASN B2093 -24.754 36.684 42.022 1.00 17.12 C ATOM 1464 CG ASN B2093 -24.821 36.061 43.404 1.00 21.55 C ATOM 1465 OD1 ASN B2093 -25.890 35.979 43.996 1.00 26.83 O ATOM 1466 ND2 ASN B2093 -23.694 35.582 43.905 1.00 20.16 N ATOM 0 H ASN B2093 -24.617 38.697 40.675 1.00 11.70 H new ATOM 0 HA ASN B2093 -23.136 37.803 42.679 1.00 13.28 H new ATOM 0 HB2 ASN B2093 -25.544 37.229 41.879 1.00 17.12 H new ATOM 0 HB3 ASN B2093 -24.769 35.981 41.354 1.00 17.12 H new ATOM 0 HD21 ASN B2093 -23.695 35.196 44.673 1.00 20.16 H new ATOM 0 HD22 ASN B2093 -22.961 35.657 43.462 1.00 20.16 H new ATOM 1467 N VAL B2094 -21.202 36.839 41.490 1.00 12.85 N ATOM 1468 CA VAL B2094 -20.117 36.053 40.897 1.00 12.48 C ATOM 1469 C VAL B2094 -20.439 34.552 40.797 1.00 12.92 C ATOM 1470 O VAL B2094 -19.969 33.860 39.893 1.00 15.34 O ATOM 1471 CB VAL B2094 -18.802 36.250 41.689 1.00 11.52 C ATOM 1472 CG1 VAL B2094 -18.686 35.226 42.815 1.00 16.16 C ATOM 1473 CG2 VAL B2094 -17.615 36.160 40.757 1.00 17.87 C ATOM 0 H VAL B2094 -20.954 37.357 42.130 1.00 12.85 H new ATOM 0 HA VAL B2094 -20.010 36.385 39.992 1.00 12.48 H new ATOM 0 HB VAL B2094 -18.814 37.133 42.091 1.00 11.52 H new ATOM 0 HG11 VAL B2094 -17.856 35.368 43.297 1.00 16.16 H new ATOM 0 HG12 VAL B2094 -19.435 35.328 43.424 1.00 16.16 H new ATOM 0 HG13 VAL B2094 -18.693 34.331 42.441 1.00 16.16 H new ATOM 0 HG21 VAL B2094 -16.796 36.285 41.262 1.00 17.87 H new ATOM 0 HG22 VAL B2094 -17.603 35.288 40.332 1.00 17.87 H new ATOM 0 HG23 VAL B2094 -17.683 36.849 40.078 1.00 17.87 H new ATOM 1474 N LYS B2095 -21.309 34.084 41.686 1.00 13.58 N ATOM 1475 CA LYS B2095 -21.791 32.702 41.687 1.00 16.09 C ATOM 1476 C LYS B2095 -22.488 32.303 40.379 1.00 16.04 C ATOM 1477 O LYS B2095 -22.413 31.151 39.951 1.00 15.58 O ATOM 1478 CB LYS B2095 -22.747 32.500 42.870 1.00 18.00 C ATOM 1479 CG LYS B2095 -23.183 31.064 43.103 1.00 26.79 C ATOM 1480 CD LYS B2095 -22.055 30.232 43.701 1.00 31.27 C ATOM 1481 CE LYS B2095 -22.218 28.746 43.380 1.00 33.03 C ATOM 1482 NZ LYS B2095 -21.854 28.421 41.967 1.00 35.95 N ATOM 0 H LYS B2095 -21.642 34.566 42.316 1.00 13.58 H new ATOM 0 HA LYS B2095 -21.014 32.128 41.772 1.00 16.09 H new ATOM 0 HB2 LYS B2095 -22.318 32.828 43.675 1.00 18.00 H new ATOM 0 HB3 LYS B2095 -23.537 33.045 42.727 1.00 18.00 H new ATOM 0 HG2 LYS B2095 -23.949 31.049 43.698 1.00 26.79 H new ATOM 0 HG3 LYS B2095 -23.468 30.670 42.264 1.00 26.79 H new ATOM 0 HD2 LYS B2095 -21.204 30.546 43.358 1.00 31.27 H new ATOM 0 HD3 LYS B2095 -22.036 30.356 44.663 1.00 31.27 H new ATOM 0 HE2 LYS B2095 -21.663 28.226 43.982 1.00 33.03 H new ATOM 0 HE3 LYS B2095 -23.137 28.482 43.543 1.00 33.03 H new ATOM 0 HZ1 LYS B2095 -21.411 27.649 41.944 1.00 35.95 H new ATOM 0 HZ2 LYS B2095 -22.594 28.352 41.478 1.00 35.95 H new ATOM 0 HZ3 LYS B2095 -21.340 29.068 41.636 1.00 35.95 H new ATOM 1483 N ASP B2096 -23.165 33.257 39.749 1.00 13.27 N ATOM 1484 CA ASP B2096 -23.848 33.006 38.485 1.00 12.38 C ATOM 1485 C ASP B2096 -22.880 32.831 37.321 1.00 11.05 C ATOM 1486 O ASP B2096 -23.151 32.085 36.386 1.00 12.01 O ATOM 1487 CB ASP B2096 -24.823 34.143 38.177 1.00 15.02 C ATOM 1488 CG ASP B2096 -26.087 34.075 39.014 1.00 19.66 C ATOM 1489 OD1 ASP B2096 -26.409 32.982 39.529 1.00 23.55 O ATOM 1490 OD2 ASP B2096 -26.771 35.113 39.137 1.00 18.96 O ATOM 0 H ASP B2096 -23.241 34.063 40.040 1.00 13.27 H new ATOM 0 HA ASP B2096 -24.333 32.172 38.588 1.00 12.38 H new ATOM 0 HB2 ASP B2096 -24.382 34.993 38.333 1.00 15.02 H new ATOM 0 HB3 ASP B2096 -25.060 34.114 37.237 1.00 15.02 H new ATOM 1491 N LEU B2097 -21.743 33.509 37.391 1.00 8.56 N ATOM 1492 CA LEU B2097 -20.715 33.372 36.373 1.00 9.01 C ATOM 1493 C LEU B2097 -20.013 32.019 36.469 1.00 12.66 C ATOM 1494 O LEU B2097 -19.776 31.363 35.453 1.00 12.64 O ATOM 1495 CB LEU B2097 -19.695 34.495 36.510 1.00 8.74 C ATOM 1496 CG LEU B2097 -18.957 34.870 35.232 1.00 13.64 C ATOM 1497 CD1 LEU B2097 -19.936 34.978 34.069 1.00 14.22 C ATOM 1498 CD2 LEU B2097 -18.241 36.190 35.459 1.00 14.79 C ATOM 0 H LEU B2097 -21.547 34.057 38.024 1.00 8.56 H new ATOM 0 HA LEU B2097 -21.144 33.427 35.505 1.00 9.01 H new ATOM 0 HB2 LEU B2097 -20.149 35.284 36.846 1.00 8.74 H new ATOM 0 HB3 LEU B2097 -19.041 34.237 37.179 1.00 8.74 H new ATOM 0 HG LEU B2097 -18.309 34.184 35.009 1.00 13.64 H new ATOM 0 HD11 LEU B2097 -19.455 35.217 33.262 1.00 14.22 H new ATOM 0 HD12 LEU B2097 -20.380 34.126 33.940 1.00 14.22 H new ATOM 0 HD13 LEU B2097 -20.597 35.660 34.265 1.00 14.22 H new ATOM 0 HD21 LEU B2097 -17.765 36.443 34.653 1.00 14.79 H new ATOM 0 HD22 LEU B2097 -18.890 36.876 35.680 1.00 14.79 H new ATOM 0 HD23 LEU B2097 -17.610 36.095 36.190 1.00 14.79 H new ATOM 1499 N THR B2098 -19.773 31.556 37.693 1.00 13.55 N ATOM 1500 CA THR B2098 -19.191 30.229 37.904 1.00 14.64 C ATOM 1501 C THR B2098 -20.111 29.114 37.390 1.00 12.60 C ATOM 1502 O THR B2098 -19.646 28.137 36.802 1.00 13.93 O ATOM 1503 CB THR B2098 -18.868 29.973 39.407 1.00 16.08 C ATOM 1504 OG1 THR B2098 -20.069 30.049 40.183 1.00 16.06 O ATOM 1505 CG2 THR B2098 -17.876 31.005 39.920 1.00 16.08 C ATOM 0 H THR B2098 -19.939 31.993 38.415 1.00 13.55 H new ATOM 0 HA THR B2098 -18.365 30.213 37.396 1.00 14.64 H new ATOM 0 HB THR B2098 -18.479 29.088 39.491 1.00 16.08 H new ATOM 0 HG1 THR B2098 -20.648 30.488 39.761 1.00 16.06 H new ATOM 0 HG21 THR B2098 -17.685 30.833 40.855 1.00 16.08 H new ATOM 0 HG22 THR B2098 -17.055 30.948 39.407 1.00 16.08 H new ATOM 0 HG23 THR B2098 -18.255 31.893 39.826 1.00 16.08 H new ATOM 1506 N GLN B2099 -21.418 29.284 37.569 1.00 9.88 N ATOM 1507 CA GLN B2099 -22.395 28.353 37.011 1.00 12.36 C ATOM 1508 C GLN B2099 -22.380 28.318 35.479 1.00 12.36 C ATOM 1509 O GLN B2099 -22.589 27.264 34.876 1.00 13.82 O ATOM 1510 CB GLN B2099 -23.801 28.698 37.495 1.00 12.35 C ATOM 1511 CG GLN B2099 -24.521 27.550 38.194 1.00 26.39 C ATOM 1512 CD GLN B2099 -24.347 26.218 37.479 1.00 34.86 C ATOM 1513 OE1 GLN B2099 -23.555 25.374 37.899 1.00 38.84 O ATOM 1514 NE2 GLN B2099 -25.051 26.042 36.373 1.00 38.47 N ATOM 0 H GLN B2099 -21.761 29.936 38.013 1.00 9.88 H new ATOM 0 HA GLN B2099 -22.141 27.471 37.326 1.00 12.36 H new ATOM 0 HB2 GLN B2099 -23.747 29.451 38.104 1.00 12.35 H new ATOM 0 HB3 GLN B2099 -24.332 28.985 36.736 1.00 12.35 H new ATOM 0 HG2 GLN B2099 -24.188 27.470 39.102 1.00 26.39 H new ATOM 0 HG3 GLN B2099 -25.467 27.757 38.256 1.00 26.39 H new ATOM 0 HE21 GLN B2099 -25.596 26.653 36.108 1.00 38.47 H new ATOM 0 HE22 GLN B2099 -24.964 25.317 35.919 1.00 38.47 H new ATOM 1515 N ALA B2100 -22.123 29.463 34.853 1.00 10.53 N ATOM 1516 CA ALA B2100 -21.915 29.510 33.407 1.00 10.26 C ATOM 1517 C ALA B2100 -20.668 28.729 33.007 1.00 10.76 C ATOM 1518 O ALA B2100 -20.704 27.920 32.077 1.00 14.59 O ATOM 1519 CB ALA B2100 -21.797 30.949 32.937 1.00 11.48 C ATOM 0 H ALA B2100 -22.065 30.225 35.247 1.00 10.53 H new ATOM 0 HA ALA B2100 -22.683 29.099 32.981 1.00 10.26 H new ATOM 0 HB1 ALA B2100 -21.659 30.966 31.977 1.00 11.48 H new ATOM 0 HB2 ALA B2100 -22.611 31.429 33.155 1.00 11.48 H new ATOM 0 HB3 ALA B2100 -21.045 31.373 33.378 1.00 11.48 H new ATOM 1520 N TRP B2101 -19.594 28.894 33.774 1.00 9.25 N ATOM 1521 CA TRP B2101 -18.321 28.264 33.442 1.00 8.01 C ATOM 1522 C TRP B2101 -18.271 26.768 33.723 1.00 11.56 C ATOM 1523 O TRP B2101 -17.462 26.049 33.140 1.00 13.68 O ATOM 1524 CB TRP B2101 -17.173 28.968 34.160 1.00 8.90 C ATOM 1525 CG TRP B2101 -16.567 30.038 33.323 1.00 11.09 C ATOM 1526 CD1 TRP B2101 -16.687 31.389 33.501 1.00 9.04 C ATOM 1527 CD2 TRP B2101 -15.893 29.856 32.074 1.00 7.56 C ATOM 1528 NE1 TRP B2101 -16.151 32.056 32.426 1.00 14.39 N ATOM 1529 CE2 TRP B2101 -15.660 31.138 31.534 1.00 10.59 C ATOM 1530 CE3 TRP B2101 -15.487 28.730 31.350 1.00 6.11 C ATOM 1531 CZ2 TRP B2101 -15.044 31.328 30.296 1.00 6.52 C ATOM 1532 CZ3 TRP B2101 -14.875 28.919 30.116 1.00 10.12 C ATOM 1533 CH2 TRP B2101 -14.662 30.209 29.603 1.00 6.27 C ATOM 0 H TRP B2101 -19.582 29.368 34.492 1.00 9.25 H new ATOM 0 HA TRP B2101 -18.226 28.361 32.482 1.00 8.01 H new ATOM 0 HB2 TRP B2101 -17.498 29.352 34.989 1.00 8.90 H new ATOM 0 HB3 TRP B2101 -16.493 28.318 34.396 1.00 8.90 H new ATOM 0 HD1 TRP B2101 -17.075 31.797 34.242 1.00 9.04 H new ATOM 0 HE1 TRP B2101 -16.127 32.910 32.329 1.00 14.39 H new ATOM 0 HE3 TRP B2101 -15.623 27.874 31.687 1.00 6.11 H new ATOM 0 HZ2 TRP B2101 -14.898 32.181 29.955 1.00 6.52 H new ATOM 0 HZ3 TRP B2101 -14.602 28.179 29.622 1.00 10.12 H new ATOM 0 HH2 TRP B2101 -14.252 30.306 28.774 1.00 6.27 H new ATOM 1534 N ASP B2102 -19.131 26.310 34.627 1.00 10.68 N ATOM 1535 CA ASP B2102 -19.343 24.885 34.846 1.00 12.39 C ATOM 1536 C ASP B2102 -19.864 24.218 33.572 1.00 13.19 C ATOM 1537 O ASP B2102 -19.394 23.144 33.177 1.00 12.61 O ATOM 1538 CB ASP B2102 -20.344 24.685 35.987 1.00 16.74 C ATOM 1539 CG ASP B2102 -20.468 23.232 36.417 1.00 17.50 C ATOM 1540 OD1 ASP B2102 -19.427 22.559 36.581 1.00 17.96 O ATOM 1541 OD2 ASP B2102 -21.610 22.782 36.648 1.00 19.74 O ATOM 0 H ASP B2102 -19.608 26.818 35.131 1.00 10.68 H new ATOM 0 HA ASP B2102 -18.497 24.475 35.083 1.00 12.39 H new ATOM 0 HB2 ASP B2102 -20.071 25.221 36.748 1.00 16.74 H new ATOM 0 HB3 ASP B2102 -21.214 25.011 35.708 1.00 16.74 H new ATOM 1542 N LEU B2103 -20.776 24.909 32.890 1.00 11.69 N ATOM 1543 CA LEU B2103 -21.369 24.423 31.647 1.00 9.45 C ATOM 1544 C LEU B2103 -20.415 24.555 30.455 1.00 9.16 C ATOM 1545 O LEU B2103 -20.346 23.669 29.598 1.00 5.81 O ATOM 1546 CB LEU B2103 -22.667 25.182 31.358 1.00 8.78 C ATOM 1547 CG LEU B2103 -23.809 24.910 32.336 1.00 5.83 C ATOM 1548 CD1 LEU B2103 -24.852 26.009 32.242 1.00 7.11 C ATOM 1549 CD2 LEU B2103 -24.418 23.558 32.032 1.00 5.55 C ATOM 0 H LEU B2103 -21.069 25.678 33.138 1.00 11.69 H new ATOM 0 HA LEU B2103 -21.556 23.479 31.766 1.00 9.45 H new ATOM 0 HB2 LEU B2103 -22.477 26.133 31.361 1.00 8.78 H new ATOM 0 HB3 LEU B2103 -22.965 24.956 30.463 1.00 8.78 H new ATOM 0 HG LEU B2103 -23.465 24.901 33.243 1.00 5.83 H new ATOM 0 HD11 LEU B2103 -25.572 25.827 32.866 1.00 7.11 H new ATOM 0 HD12 LEU B2103 -24.444 26.862 32.459 1.00 7.11 H new ATOM 0 HD13 LEU B2103 -25.208 26.042 31.340 1.00 7.11 H new ATOM 0 HD21 LEU B2103 -25.143 23.383 32.652 1.00 5.55 H new ATOM 0 HD22 LEU B2103 -24.760 23.554 31.124 1.00 5.55 H new ATOM 0 HD23 LEU B2103 -23.741 22.870 32.125 1.00 5.55 H new ATOM 1550 N TYR B2104 -19.652 25.644 30.439 1.00 8.05 N ATOM 1551 CA TYR B2104 -18.623 25.863 29.428 1.00 7.53 C ATOM 1552 C TYR B2104 -17.507 24.824 29.514 1.00 7.90 C ATOM 1553 O TYR B2104 -17.052 24.306 28.494 1.00 5.18 O ATOM 1554 CB TYR B2104 -18.019 27.260 29.583 1.00 9.74 C ATOM 1555 CG TYR B2104 -18.896 28.388 29.091 1.00 10.73 C ATOM 1556 CD1 TYR B2104 -19.601 28.288 27.883 1.00 10.63 C ATOM 1557 CD2 TYR B2104 -18.969 29.588 29.797 1.00 9.42 C ATOM 1558 CE1 TYR B2104 -20.354 29.363 27.393 1.00 6.60 C ATOM 1559 CE2 TYR B2104 -19.717 30.667 29.318 1.00 7.68 C ATOM 1560 CZ TYR B2104 -20.404 30.549 28.119 1.00 6.80 C ATOM 1561 OH TYR B2104 -21.133 31.621 27.658 1.00 2.73 O ATOM 0 H TYR B2104 -19.717 26.278 31.016 1.00 8.05 H new ATOM 0 HA TYR B2104 -19.051 25.779 28.562 1.00 7.53 H new ATOM 0 HB2 TYR B2104 -17.817 27.409 30.520 1.00 9.74 H new ATOM 0 HB3 TYR B2104 -17.176 27.289 29.103 1.00 9.74 H new ATOM 0 HD1 TYR B2104 -19.568 27.495 27.399 1.00 10.63 H new ATOM 0 HD2 TYR B2104 -18.511 29.672 30.602 1.00 9.42 H new ATOM 0 HE1 TYR B2104 -20.816 29.285 26.590 1.00 6.60 H new ATOM 0 HE2 TYR B2104 -19.754 31.461 29.801 1.00 7.68 H new ATOM 0 HH TYR B2104 -21.428 31.450 26.890 1.00 2.73 H new ATOM 1562 N TYR B2105 -17.042 24.554 30.729 1.00 6.84 N ATOM 1563 CA TYR B2105 -16.044 23.512 30.959 1.00 7.99 C ATOM 1564 C TYR B2105 -16.559 22.157 30.469 1.00 11.20 C ATOM 1565 O TYR B2105 -15.848 21.408 29.793 1.00 12.83 O ATOM 1566 CB TYR B2105 -15.715 23.436 32.451 1.00 7.26 C ATOM 1567 CG TYR B2105 -14.537 22.554 32.793 1.00 7.56 C ATOM 1568 CD1 TYR B2105 -13.425 22.482 31.958 1.00 7.64 C ATOM 1569 CD2 TYR B2105 -14.534 21.800 33.959 1.00 5.97 C ATOM 1570 CE1 TYR B2105 -12.336 21.679 32.282 1.00 10.45 C ATOM 1571 CE2 TYR B2105 -13.457 20.994 34.290 1.00 7.02 C ATOM 1572 CZ TYR B2105 -12.360 20.939 33.455 1.00 8.96 C ATOM 1573 OH TYR B2105 -11.279 20.164 33.816 1.00 11.91 O ATOM 0 H TYR B2105 -17.294 24.966 31.441 1.00 6.84 H new ATOM 0 HA TYR B2105 -15.241 23.734 30.462 1.00 7.99 H new ATOM 0 HB2 TYR B2105 -15.538 24.332 32.777 1.00 7.26 H new ATOM 0 HB3 TYR B2105 -16.496 23.111 32.926 1.00 7.26 H new ATOM 0 HD1 TYR B2105 -13.410 22.978 31.172 1.00 7.64 H new ATOM 0 HD2 TYR B2105 -15.269 21.837 34.528 1.00 5.97 H new ATOM 0 HE1 TYR B2105 -11.598 21.639 31.717 1.00 10.45 H new ATOM 0 HE2 TYR B2105 -13.473 20.492 35.072 1.00 7.02 H new ATOM 0 HH TYR B2105 -11.170 20.205 34.648 1.00 11.91 H new ATOM 1574 N HIS B2106 -17.816 21.867 30.781 1.00 9.84 N ATOM 1575 CA HIS B2106 -18.431 20.613 30.380 1.00 8.88 C ATOM 1576 C HIS B2106 -18.387 20.408 28.862 1.00 10.12 C ATOM 1577 O HIS B2106 -17.869 19.394 28.387 1.00 6.90 O ATOM 1578 CB HIS B2106 -19.872 20.555 30.877 1.00 12.56 C ATOM 1579 CG HIS B2106 -20.542 19.239 30.634 1.00 12.01 C ATOM 1580 ND1 HIS B2106 -19.892 18.036 30.796 1.00 13.92 N ATOM 1581 CD2 HIS B2106 -21.799 18.938 30.237 1.00 14.09 C ATOM 1582 CE1 HIS B2106 -20.721 17.046 30.505 1.00 17.74 C ATOM 1583 NE2 HIS B2106 -21.886 17.573 30.161 1.00 17.31 N ATOM 0 H HIS B2106 -18.333 22.389 31.228 1.00 9.84 H new ATOM 0 HA HIS B2106 -17.919 19.895 30.784 1.00 8.88 H new ATOM 0 HB2 HIS B2106 -19.885 20.744 31.828 1.00 12.56 H new ATOM 0 HB3 HIS B2106 -20.384 21.254 30.441 1.00 12.56 H new ATOM 0 HD2 HIS B2106 -22.478 19.545 30.050 1.00 14.09 H new ATOM 0 HE1 HIS B2106 -20.520 16.138 30.537 1.00 17.74 H new ATOM 0 HE2 HIS B2106 -22.585 17.130 29.927 1.00 17.31 H new ATOM 1584 N VAL B2107 -18.881 21.386 28.103 1.00 11.30 N ATOM 1585 CA VAL B2107 -18.857 21.278 26.644 1.00 13.55 C ATOM 1586 C VAL B2107 -17.427 21.236 26.083 1.00 12.68 C ATOM 1587 O VAL B2107 -17.123 20.410 25.221 1.00 13.59 O ATOM 1588 CB VAL B2107 -19.663 22.423 25.945 1.00 14.17 C ATOM 1589 CG1 VAL B2107 -21.086 22.467 26.475 1.00 13.14 C ATOM 1590 CG2 VAL B2107 -18.984 23.761 26.132 1.00 20.00 C ATOM 0 H VAL B2107 -19.230 22.111 28.408 1.00 11.30 H new ATOM 0 HA VAL B2107 -19.290 20.434 26.443 1.00 13.55 H new ATOM 0 HB VAL B2107 -19.691 22.234 24.994 1.00 14.17 H new ATOM 0 HG11 VAL B2107 -21.574 23.180 26.034 1.00 13.14 H new ATOM 0 HG12 VAL B2107 -21.524 21.619 26.299 1.00 13.14 H new ATOM 0 HG13 VAL B2107 -21.071 22.630 27.431 1.00 13.14 H new ATOM 0 HG21 VAL B2107 -19.502 24.452 25.690 1.00 20.00 H new ATOM 0 HG22 VAL B2107 -18.919 23.962 27.079 1.00 20.00 H new ATOM 0 HG23 VAL B2107 -18.094 23.729 25.747 1.00 20.00 H new ATOM 1591 N PHE B2108 -16.529 22.025 26.665 1.00 8.86 N ATOM 1592 CA PHE B2108 -15.133 22.038 26.230 1.00 9.74 C ATOM 1593 C PHE B2108 -14.477 20.648 26.305 1.00 12.86 C ATOM 1594 O PHE B2108 -13.868 20.183 25.338 1.00 10.37 O ATOM 1595 CB PHE B2108 -14.326 23.039 27.064 1.00 4.58 C ATOM 1596 CG PHE B2108 -12.886 23.173 26.637 1.00 4.74 C ATOM 1597 CD1 PHE B2108 -12.534 24.016 25.589 1.00 8.43 C ATOM 1598 CD2 PHE B2108 -11.876 22.495 27.314 1.00 5.12 C ATOM 1599 CE1 PHE B2108 -11.200 24.185 25.225 1.00 7.18 C ATOM 1600 CE2 PHE B2108 -10.534 22.657 26.954 1.00 3.07 C ATOM 1601 CZ PHE B2108 -10.199 23.502 25.912 1.00 7.24 C ATOM 0 H PHE B2108 -16.706 22.561 27.314 1.00 8.86 H new ATOM 0 HA PHE B2108 -15.131 22.309 25.299 1.00 9.74 H new ATOM 0 HB2 PHE B2108 -14.752 23.909 27.010 1.00 4.58 H new ATOM 0 HB3 PHE B2108 -14.354 22.767 27.995 1.00 4.58 H new ATOM 0 HD1 PHE B2108 -13.198 24.473 25.125 1.00 8.43 H new ATOM 0 HD2 PHE B2108 -12.097 21.926 28.016 1.00 5.12 H new ATOM 0 HE1 PHE B2108 -10.978 24.754 24.523 1.00 7.18 H new ATOM 0 HE2 PHE B2108 -9.869 22.198 27.414 1.00 3.07 H new ATOM 0 HZ PHE B2108 -9.308 23.614 25.671 1.00 7.24 H new ATOM 1602 N ARG B2109 -14.602 19.985 27.448 1.00 14.78 N ATOM 1603 CA ARG B2109 -13.908 18.720 27.632 1.00 18.22 C ATOM 1604 C ARG B2109 -14.516 17.568 26.833 1.00 17.34 C ATOM 1605 O ARG B2109 -13.871 16.541 26.640 1.00 17.63 O ATOM 1606 CB ARG B2109 -13.809 18.368 29.123 1.00 22.76 C ATOM 1607 CG ARG B2109 -15.126 18.249 29.862 1.00 29.07 C ATOM 1608 CD ARG B2109 -14.883 17.844 31.313 1.00 31.05 C ATOM 1609 NE ARG B2109 -16.126 17.543 32.021 1.00 38.21 N ATOM 1610 CZ ARG B2109 -16.775 18.406 32.799 1.00 43.25 C ATOM 1611 NH1 ARG B2109 -16.303 19.633 32.973 1.00 46.77 N ATOM 1612 NH2 ARG B2109 -17.905 18.049 33.393 1.00 45.99 N ATOM 0 H ARG B2109 -15.075 20.245 28.118 1.00 14.78 H new ATOM 0 HA ARG B2109 -13.014 18.845 27.277 1.00 18.22 H new ATOM 0 HB2 ARG B2109 -13.333 17.527 29.208 1.00 22.76 H new ATOM 0 HB3 ARG B2109 -13.271 19.045 29.563 1.00 22.76 H new ATOM 0 HG2 ARG B2109 -15.599 19.095 29.831 1.00 29.07 H new ATOM 0 HG3 ARG B2109 -15.691 17.592 29.426 1.00 29.07 H new ATOM 0 HD2 ARG B2109 -14.303 17.067 31.337 1.00 31.05 H new ATOM 0 HD3 ARG B2109 -14.417 18.560 31.773 1.00 31.05 H new ATOM 0 HE ARG B2109 -16.460 16.756 31.929 1.00 38.21 H new ATOM 0 HH11 ARG B2109 -15.575 19.873 32.583 1.00 46.77 H new ATOM 0 HH12 ARG B2109 -16.725 20.189 33.476 1.00 46.77 H new ATOM 0 HH21 ARG B2109 -18.221 17.258 33.276 1.00 45.99 H new ATOM 0 HH22 ARG B2109 -18.322 18.609 33.895 1.00 45.99 H new ATOM 1613 N ARG B2110 -15.713 17.785 26.288 1.00 17.83 N ATOM 1614 CA ARG B2110 -16.320 16.866 25.323 1.00 19.08 C ATOM 1615 C ARG B2110 -15.910 17.176 23.878 1.00 19.41 C ATOM 1616 O ARG B2110 -15.961 16.307 23.015 1.00 18.51 O ATOM 1617 CB ARG B2110 -17.848 16.909 25.430 1.00 21.90 C ATOM 1618 CG ARG B2110 -18.427 16.010 26.515 1.00 26.51 C ATOM 1619 CD ARG B2110 -19.933 16.193 26.648 1.00 29.56 C ATOM 1620 NE ARG B2110 -20.285 17.562 27.019 1.00 33.87 N ATOM 1621 CZ ARG B2110 -21.494 18.097 26.878 1.00 33.75 C ATOM 1622 NH1 ARG B2110 -22.525 17.354 26.495 1.00 32.86 N ATOM 1623 NH2 ARG B2110 -21.686 19.369 27.186 1.00 32.72 N ATOM 0 H ARG B2110 -16.198 18.472 26.468 1.00 17.83 H new ATOM 0 HA ARG B2110 -15.994 15.979 25.543 1.00 19.08 H new ATOM 0 HB2 ARG B2110 -18.124 17.823 25.601 1.00 21.90 H new ATOM 0 HB3 ARG B2110 -18.229 16.653 24.575 1.00 21.90 H new ATOM 0 HG2 ARG B2110 -18.230 15.083 26.308 1.00 26.51 H new ATOM 0 HG3 ARG B2110 -18.000 16.208 27.363 1.00 26.51 H new ATOM 0 HD2 ARG B2110 -20.361 15.966 25.808 1.00 29.56 H new ATOM 0 HD3 ARG B2110 -20.275 15.579 27.316 1.00 29.56 H new ATOM 0 HE ARG B2110 -19.666 18.057 27.352 1.00 33.87 H new ATOM 0 HH11 ARG B2110 -22.415 16.516 26.335 1.00 32.86 H new ATOM 0 HH12 ARG B2110 -23.303 17.710 26.407 1.00 32.86 H new ATOM 0 HH21 ARG B2110 -21.031 19.845 27.476 1.00 32.72 H new ATOM 0 HH22 ARG B2110 -22.466 19.720 27.097 1.00 32.72 H new ATOM 1624 N ILE B2111 -15.634 18.445 23.601 1.00 22.35 N ATOM 1625 CA ILE B2111 -15.120 18.862 22.296 1.00 26.11 C ATOM 1626 C ILE B2111 -13.677 18.388 22.103 1.00 28.05 C ATOM 1627 O ILE B2111 -13.189 18.298 20.976 1.00 31.44 O ATOM 1628 CB ILE B2111 -15.179 20.407 22.145 1.00 25.82 C ATOM 1629 CG1 ILE B2111 -16.632 20.867 22.040 1.00 27.37 C ATOM 1630 CG2 ILE B2111 -14.429 20.861 20.902 1.00 30.80 C ATOM 1631 CD1 ILE B2111 -16.790 22.380 22.031 1.00 32.01 C ATOM 0 H ILE B2111 -15.738 19.089 24.161 1.00 22.35 H new ATOM 0 HA ILE B2111 -15.682 18.456 21.617 1.00 26.11 H new ATOM 0 HB ILE B2111 -14.762 20.799 22.928 1.00 25.82 H new ATOM 0 HG12 ILE B2111 -17.021 20.503 21.229 1.00 27.37 H new ATOM 0 HG13 ILE B2111 -17.134 20.501 22.785 1.00 27.37 H new ATOM 0 HG21 ILE B2111 -14.479 21.827 20.828 1.00 30.80 H new ATOM 0 HG22 ILE B2111 -13.500 20.590 20.967 1.00 30.80 H new ATOM 0 HG23 ILE B2111 -14.829 20.456 20.117 1.00 30.80 H new ATOM 0 HD11 ILE B2111 -17.731 22.607 21.963 1.00 32.01 H new ATOM 0 HD12 ILE B2111 -16.428 22.748 22.852 1.00 32.01 H new ATOM 0 HD13 ILE B2111 -16.313 22.751 21.272 1.00 32.01 H new ATOM 1632 N SER B2112 -12.995 18.120 23.211 1.00 30.01 N ATOM 1633 CA SER B2112 -11.617 17.639 23.176 1.00 33.07 C ATOM 1634 C SER B2112 -11.559 16.114 23.330 1.00 35.72 C ATOM 1635 O SER B2112 -10.451 15.545 23.216 1.00 38.84 O ATOM 1636 CB SER B2112 -10.797 18.296 24.292 1.00 33.58 C ATOM 1637 OG SER B2112 -11.110 19.675 24.433 1.00 31.48 O ATOM 1638 OXT SER B2112 -12.619 15.499 23.585 1.00 37.56 O ATOM 0 H SER B2112 -13.317 18.211 24.003 1.00 30.01 H new ATOM 0 HA SER B2112 -11.242 17.878 22.314 1.00 33.07 H new ATOM 0 HB2 SER B2112 -10.966 17.838 25.130 1.00 33.58 H new ATOM 0 HB3 SER B2112 -9.851 18.197 24.100 1.00 33.58 H new ATOM 0 HG SER B2112 -11.881 19.756 24.756 1.00 31.48 H new TER 1639 SER B2112 HETATM 1640 C1 RAD A 108 -7.098 26.017 40.158 1.00 7.59 C HETATM 1641 O1 RAD A 108 -8.096 26.688 39.366 1.00 10.27 O HETATM 1642 O2 RAD A 108 -5.943 26.010 39.731 1.00 13.15 O HETATM 1643 C2 RAD A 108 -7.419 25.367 41.503 1.00 4.10 C HETATM 1644 C3 RAD A 108 -6.856 23.948 41.602 1.00 2.00 C HETATM 1645 C4 RAD A 108 -7.593 22.912 40.774 1.00 2.00 C HETATM 1646 C5 RAD A 108 -9.063 22.923 41.108 1.00 2.22 C HETATM 1647 C6 RAD A 108 -9.634 24.309 40.913 1.00 2.00 C HETATM 1648 N7 RAD A 108 -8.856 25.194 41.771 1.00 6.40 N HETATM 1649 C8 RAD A 108 -10.808 25.970 42.977 1.00 6.89 C HETATM 1650 O3 RAD A 108 -8.868 27.024 43.071 1.00 9.05 O HETATM 1651 C9 RAD A 108 -11.886 26.813 42.294 1.00 8.84 C HETATM 1652 O4 RAD A 108 -11.110 25.164 43.864 1.00 3.89 O HETATM 1653 C10 RAD A 108 -11.472 28.302 42.283 1.00 9.25 C HETATM 1654 O5 RAD A 108 -11.934 26.334 40.972 1.00 8.62 O HETATM 1655 O6 RAD A 108 -13.152 26.671 42.955 1.00 7.95 O HETATM 1656 C11 RAD A 108 -12.411 29.100 41.371 1.00 11.74 C HETATM 1657 C12 RAD A 108 -12.774 28.397 40.067 1.00 8.63 C HETATM 1658 C13 RAD A 108 -12.950 26.879 40.199 1.00 11.52 C HETATM 1659 C14 RAD A 108 -12.816 26.208 38.835 1.00 10.11 C HETATM 1660 C15 RAD A 108 -13.903 26.521 37.806 1.00 6.68 C HETATM 1661 C16 RAD A 108 -13.607 25.715 36.559 1.00 7.40 C HETATM 1662 O7 RAD A 108 -15.144 26.140 38.273 1.00 6.83 O HETATM 1663 C17 RAD A 108 -13.263 26.314 35.431 1.00 6.77 C HETATM 1664 C18 RAD A 108 -12.905 25.638 34.188 1.00 7.90 C HETATM 1665 C19 RAD A 108 -12.796 26.335 33.071 1.00 10.44 C HETATM 1666 C20 RAD A 108 -12.431 25.694 31.815 1.00 10.50 C HETATM 1667 C21 RAD A 108 -11.661 26.286 30.933 1.00 8.85 C HETATM 1668 C22 RAD A 108 -11.279 25.615 29.638 1.00 5.70 C HETATM 1669 C23 RAD A 108 -9.770 25.693 29.407 1.00 5.63 C HETATM 1670 C24 RAD A 108 -8.878 25.333 30.597 1.00 4.30 C HETATM 1671 C25 RAD A 108 -7.566 26.083 30.490 1.00 2.00 C HETATM 1672 C26 RAD A 108 -7.462 27.473 31.107 1.00 8.04 C HETATM 1673 O8 RAD A 108 -6.625 25.603 29.870 1.00 7.03 O HETATM 1674 C27 RAD A 108 -7.109 27.380 32.606 1.00 3.20 C HETATM 1675 O9 RAD A 108 -6.417 28.085 30.426 1.00 9.24 O HETATM 1676 C28 RAD A 108 -8.245 26.941 33.509 1.00 5.24 C HETATM 1677 O10 RAD A 108 -6.037 26.452 32.794 1.00 2.00 O HETATM 1678 C29 RAD A 108 -8.328 25.764 34.123 1.00 3.28 C HETATM 1679 C30 RAD A 108 -9.406 25.416 35.121 1.00 2.00 C HETATM 1680 C31 RAD A 108 -8.871 25.630 36.537 1.00 6.86 C HETATM 1681 C32 RAD A 108 -8.991 27.007 37.165 1.00 7.75 C HETATM 1682 O11 RAD A 108 -8.351 24.706 37.163 1.00 6.25 O HETATM 1683 C33 RAD A 108 -7.850 27.311 38.140 1.00 9.76 C HETATM 1684 C34 RAD A 108 -7.754 28.831 38.407 1.00 7.52 C HETATM 1685 C35 RAD A 108 -7.186 29.544 37.183 1.00 7.62 C HETATM 1686 C36 RAD A 108 -5.878 29.016 36.594 1.00 6.30 C HETATM 1687 C37 RAD A 108 -5.586 29.793 35.308 1.00 5.31 C HETATM 1688 C38 RAD A 108 -4.196 29.712 34.659 1.00 9.20 C HETATM 1689 C39 RAD A 108 -3.053 29.777 35.722 1.00 11.78 C HETATM 1690 O12 RAD A 108 -4.098 30.838 33.845 1.00 8.95 O HETATM 1691 C40 RAD A 108 -3.367 28.911 36.946 1.00 12.91 C HETATM 1692 O13 RAD A 108 -1.829 29.296 35.155 1.00 13.47 O HETATM 1693 C41 RAD A 108 -4.718 29.187 37.571 1.00 8.34 C HETATM 1694 C42 RAD A 108 -11.517 28.881 43.694 1.00 10.29 C HETATM 1695 C43 RAD A 108 -13.722 24.198 36.787 1.00 5.54 C HETATM 1696 C44 RAD A 108 -12.029 26.300 28.510 1.00 6.27 C HETATM 1697 C45 RAD A 108 -8.626 23.838 30.645 1.00 4.59 C HETATM 1698 C46 RAD A 108 -9.291 28.025 33.601 1.00 4.28 C HETATM 1699 C47 RAD A 108 -9.821 23.968 34.918 1.00 3.31 C HETATM 1700 C48 RAD A 108 -9.125 29.402 38.748 1.00 6.63 C HETATM 1701 C49 RAD A 108 -16.263 26.918 38.016 1.00 6.41 C HETATM 1702 C50 RAD A 108 -6.766 29.039 29.490 1.00 14.87 C HETATM 1703 C51 RAD A 108 -4.945 30.931 32.739 1.00 12.04 C HETATM 1704 C52 RAD A 108 -17.315 25.844 38.010 1.00 2.89 C HETATM 1705 C7 RAD A 108 -9.471 26.070 42.585 1.00 4.80 C HETATM 0 H523 RAD A 108 -17.113 25.197 37.316 1.00 2.89 H new HETATM 0 H522 RAD A 108 -17.329 25.400 38.872 1.00 2.89 H new HETATM 0 H521 RAD A 108 -18.183 26.242 37.838 1.00 2.89 H new HETATM 0 H513 RAD A 108 -4.786 30.180 32.146 1.00 12.04 H new HETATM 0 H512 RAD A 108 -5.868 30.918 33.036 1.00 12.04 H new HETATM 0 H511 RAD A 108 -4.770 31.759 32.266 1.00 12.04 H new HETATM 0 H503 RAD A 108 -7.325 28.634 28.808 1.00 14.87 H new HETATM 0 H502 RAD A 108 -7.254 29.756 29.925 1.00 14.87 H new HETATM 0 H501 RAD A 108 -5.964 29.398 29.079 1.00 14.87 H new HETATM 0 H492 RAD A 108 -16.417 27.587 38.701 1.00 6.41 H new HETATM 0 H491 RAD A 108 -16.204 27.387 37.169 1.00 6.41 H new HETATM 0 H483 RAD A 108 -9.732 29.251 38.007 1.00 6.63 H new HETATM 0 H482 RAD A 108 -9.470 28.964 39.542 1.00 6.63 H new HETATM 0 H481 RAD A 108 -9.047 30.355 38.912 1.00 6.63 H new HETATM 0 H473 RAD A 108 -10.160 23.852 34.017 1.00 3.31 H new HETATM 0 H472 RAD A 108 -9.054 23.390 35.051 1.00 3.31 H new HETATM 0 H471 RAD A 108 -10.514 23.737 35.556 1.00 3.31 H new HETATM 0 H463 RAD A 108 -8.891 28.831 33.965 1.00 4.28 H new HETATM 0 H462 RAD A 108 -9.644 28.210 32.717 1.00 4.28 H new HETATM 0 H461 RAD A 108 -10.011 27.732 34.181 1.00 4.28 H new HETATM 0 H453 RAD A 108 -9.471 23.370 30.734 1.00 4.59 H new HETATM 0 H452 RAD A 108 -8.186 23.557 29.827 1.00 4.59 H new HETATM 0 H451 RAD A 108 -8.060 23.629 31.404 1.00 4.59 H new HETATM 0 H443 RAD A 108 -12.984 26.217 28.659 1.00 6.27 H new HETATM 0 H442 RAD A 108 -11.786 27.239 28.483 1.00 6.27 H new HETATM 0 H441 RAD A 108 -11.797 25.882 27.666 1.00 6.27 H new HETATM 0 H433 RAD A 108 -13.092 23.925 37.472 1.00 5.54 H new HETATM 0 H432 RAD A 108 -14.623 23.981 37.072 1.00 5.54 H new HETATM 0 H431 RAD A 108 -13.523 23.730 35.961 1.00 5.54 H new HETATM 0 H423 RAD A 108 -12.418 28.808 44.045 1.00 10.29 H new HETATM 0 H422 RAD A 108 -10.907 28.389 44.265 1.00 10.29 H new HETATM 0 H421 RAD A 108 -11.255 29.815 43.669 1.00 10.29 H new HETATM 0 H412 RAD A 108 -4.728 30.092 37.920 1.00 8.34 H new HETATM 0 H411 RAD A 108 -4.847 28.591 38.325 1.00 8.34 H new HETATM 0 H402 RAD A 108 -3.326 27.977 36.688 1.00 12.91 H new HETATM 0 H401 RAD A 108 -2.678 29.051 37.614 1.00 12.91 H new HETATM 0 H372 RAD A 108 -6.231 29.504 34.644 1.00 5.31 H new HETATM 0 H371 RAD A 108 -5.765 30.729 35.490 1.00 5.31 H new HETATM 0 H352 RAD A 108 -7.859 29.519 36.485 1.00 7.62 H new HETATM 0 H351 RAD A 108 -7.053 30.476 37.416 1.00 7.62 H new HETATM 0 H322 RAD A 108 -9.001 27.678 36.465 1.00 7.75 H new HETATM 0 H321 RAD A 108 -9.838 27.073 37.633 1.00 7.75 H new HETATM 0 H232 RAD A 108 -9.545 25.104 28.670 1.00 5.63 H new HETATM 0 H231 RAD A 108 -9.552 26.596 29.126 1.00 5.63 H new HETATM 0 H142 RAD A 108 -11.959 26.460 38.456 1.00 10.11 H new HETATM 0 H141 RAD A 108 -12.795 25.248 38.971 1.00 10.11 H new HETATM 0 H122 RAD A 108 -13.597 28.779 39.723 1.00 8.63 H new HETATM 0 H121 RAD A 108 -12.082 28.576 39.411 1.00 8.63 H new HETATM 0 H112 RAD A 108 -13.227 29.296 41.858 1.00 11.74 H new HETATM 0 H111 RAD A 108 -11.994 29.951 41.162 1.00 11.74 H new HETATM 0 HOD RAD A 108 -1.931 28.502 34.900 1.00 13.47 H new HETATM 0 HOA RAD A 108 -5.831 26.423 33.608 1.00 2.00 H new HETATM 0 HO6 RAD A 108 -13.418 25.878 42.883 1.00 7.95 H new HETATM 0 H62 RAD A 108 -9.570 24.582 39.985 1.00 2.00 H new HETATM 0 H61 RAD A 108 -10.574 24.333 41.152 1.00 2.00 H new HETATM 0 H52 RAD A 108 -9.534 22.290 40.544 1.00 2.22 H new HETATM 0 H51 RAD A 108 -9.195 22.638 42.026 1.00 2.22 H new HETATM 0 H42 RAD A 108 -7.468 23.095 39.830 1.00 2.00 H new HETATM 0 H41 RAD A 108 -7.223 22.031 40.943 1.00 2.00 H new HETATM 0 H39 RAD A 108 -2.972 30.704 35.995 1.00 11.78 H new HETATM 0 H38 RAD A 108 -4.101 28.875 34.178 1.00 9.20 H new HETATM 0 H36 RAD A 108 -5.971 28.068 36.412 1.00 6.30 H new HETATM 0 H34 RAD A 108 -7.161 28.973 39.162 1.00 7.52 H new HETATM 0 H33 RAD A 108 -7.026 26.986 37.744 1.00 9.76 H new HETATM 0 H32 RAD A 108 -5.926 23.962 41.326 1.00 2.00 H new HETATM 0 H31 RAD A 108 -6.872 23.671 42.532 1.00 2.00 H new HETATM 0 H30 RAD A 108 -10.180 25.986 34.992 1.00 2.00 H new HETATM 0 H29 RAD A 108 -7.659 25.092 33.918 1.00 3.28 H new HETATM 0 H27 RAD A 108 -6.873 28.286 32.858 1.00 3.20 H new HETATM 0 H26 RAD A 108 -8.298 27.960 31.037 1.00 8.04 H new HETATM 0 H24 RAD A 108 -9.329 25.589 31.417 1.00 4.30 H new HETATM 0 H22 RAD A 108 -11.517 24.675 29.673 1.00 5.70 H new HETATM 0 H21 RAD A 108 -11.329 27.178 31.119 1.00 8.85 H new HETATM 0 H20 RAD A 108 -12.767 24.804 31.625 1.00 10.50 H new HETATM 0 H2 RAD A 108 -7.021 25.986 42.136 1.00 4.10 H new HETATM 0 H19 RAD A 108 -12.962 27.291 33.088 1.00 10.44 H new HETATM 0 H18 RAD A 108 -12.748 24.681 34.182 1.00 7.90 H new HETATM 0 H17 RAD A 108 -13.247 27.284 35.430 1.00 6.77 H new HETATM 0 H15 RAD A 108 -13.909 27.475 37.629 1.00 6.68 H new HETATM 0 H13 RAD A 108 -13.823 26.732 40.594 1.00 11.52 H new HETATM 0 H10 RAD A 108 -10.564 28.365 41.947 1.00 9.25 H new HETATM 1706 O HOH A 301 -20.661 18.067 51.529 1.00 2.00 O HETATM 1707 O HOH A 302 -0.376 21.034 54.549 1.00 9.20 O HETATM 1708 O HOH A 303 -4.695 32.923 47.394 1.00 12.11 O HETATM 1709 O HOH A 305 -5.486 35.583 47.293 1.00 15.38 O HETATM 1710 O HOH A 307 -1.218 22.029 34.517 1.00 17.98 O HETATM 1711 O HOH A 309 -5.472 26.058 58.577 1.00 19.37 O HETATM 1712 O HOH A 310 4.005 8.984 48.300 1.00 21.30 O HETATM 1713 O HOH A 312 2.853 26.986 52.721 1.00 21.87 O HETATM 1714 O HOH A 317 -8.470 20.614 33.518 1.00 24.01 O HETATM 1715 O HOH A 318 -15.328 28.805 59.369 1.00 24.21 O HETATM 1716 O HOH A 319 -7.681 31.537 53.695 1.00 24.47 O HETATM 1717 O HOH A 322 -10.273 14.958 49.208 1.00 24.84 O HETATM 1718 O HOH A 324 3.519 -0.127 42.312 1.00 25.92 O HETATM 1719 O HOH A 326 -1.951 32.949 58.159 1.00 26.02 O HETATM 1720 O HOH A 327 -16.926 18.546 52.179 1.00 26.25 O HETATM 1721 O HOH A 328 -2.087 7.938 58.195 1.00 26.57 O HETATM 1722 O HOH A 329 -9.850 8.630 50.942 1.00 26.79 O HETATM 1723 O HOH A 331 -6.164 23.941 27.393 1.00 27.17 O HETATM 1724 O HOH A 335 0.835 16.730 26.759 1.00 27.64 O HETATM 1725 O HOH A 337 0.602 30.473 54.442 1.00 28.05 O HETATM 1726 O HOH A 341 -7.307 9.669 58.063 1.00 28.89 O HETATM 1727 O HOH A 342 0.096 3.717 37.122 1.00 29.06 O HETATM 1728 O HOH A 344 -19.343 34.130 46.409 1.00 29.45 O HETATM 1729 O HOH A 346 1.059 27.274 37.579 1.00 29.83 O HETATM 1730 O HOH A 348 -3.094 14.385 58.755 1.00 30.12 O HETATM 1731 O HOH A 349 -10.909 38.832 45.875 1.00 30.17 O HETATM 1732 O HOH A 352 -18.958 10.398 45.024 1.00 30.55 O HETATM 1733 O HOH A 353 -14.672 17.658 39.158 1.00 31.29 O HETATM 1734 O HOH A 355 -13.775 13.180 35.432 1.00 31.44 O HETATM 1735 O HOH A 356 1.215 40.434 51.540 1.00 31.44 O HETATM 1736 O HOH A 357 1.986 5.299 35.547 1.00 31.49 O HETATM 1737 O HOH A 362 -16.215 9.877 42.518 1.00 33.34 O HETATM 1738 O HOH A 363 6.957 34.467 50.588 1.00 34.35 O HETATM 1739 O HOH A 364 6.858 19.239 36.804 1.00 34.43 O HETATM 1740 O HOH A 369 8.950 13.414 43.225 1.00 35.82 O HETATM 1741 O HOH A 371 -18.412 21.976 45.045 1.00 36.51 O HETATM 1742 O HOH A 372 9.739 7.492 47.320 1.00 36.71 O HETATM 1743 O HOH A 376 -13.064 25.058 61.177 1.00 37.42 O HETATM 1744 O HOH A 377 -3.603 27.253 31.428 1.00 37.43 O HETATM 1745 O HOH A 378 -18.024 9.528 38.237 1.00 38.06 O HETATM 1746 O HOH A 379 -19.101 12.195 47.381 1.00 38.08 O HETATM 1747 O HOH A 380 -16.426 40.652 45.444 1.00 38.41 O HETATM 1748 O HOH A 384 -3.012 24.300 57.983 1.00 40.20 O HETATM 1749 O HOH A 387 8.167 31.997 45.047 1.00 41.53 O HETATM 1750 O HOH A 394 8.505 19.183 39.483 1.00 44.07 O HETATM 1751 O HOH A 395 0.155 38.074 48.508 1.00 44.13 O HETATM 1752 O HOH A 396 -9.841 33.845 55.203 1.00 44.34 O HETATM 1753 O HOH A 397 -14.530 17.471 36.144 1.00 44.34 O HETATM 1754 O HOH A 399 -5.234 3.857 40.767 1.00 44.70 O HETATM 1755 O HOH A 400 4.160 -1.378 39.759 1.00 45.28 O HETATM 1756 O HOH A 402 -8.827 9.231 60.459 1.00 45.85 O HETATM 1757 O HOH A 404 -2.094 16.585 65.888 1.00 47.04 O HETATM 1758 O HOH A 406 -5.443 11.557 29.338 1.00 47.49 O HETATM 1759 O HOH A 407 10.241 25.773 42.634 1.00 49.20 O HETATM 1760 O HOH A 409 5.933 35.291 41.706 1.00 49.76 O HETATM 1761 O HOH A 410 5.099 32.017 43.213 1.00 49.94 O HETATM 1762 O HOH A 411 3.175 -6.047 44.771 1.00 50.15 O HETATM 1763 O HOH A 413 -13.829 11.414 51.917 1.00 51.25 O HETATM 1764 O HOH A 415 -12.418 9.087 46.432 1.00 52.11 O HETATM 1765 O HOH A 416 -17.516 40.053 42.650 1.00 53.14 O HETATM 1766 O HOH A 417 -1.864 38.364 42.320 1.00 53.84 O HETATM 1767 O HOH A 418 -9.744 42.374 46.160 1.00 53.94 O HETATM 1768 O HOH A 419 -4.364 30.609 47.738 1.00 54.14 O HETATM 1769 O HOH A 420 9.204 19.037 44.904 1.00 54.43 O HETATM 1770 O HOH A 422 -13.867 36.070 40.043 1.00 55.20 O HETATM 1771 O HOH A 424 -15.921 24.014 40.378 1.00 56.51 O HETATM 1772 O HOH A 426 -4.857 8.108 59.047 1.00 59.89 O HETATM 1773 O HOH B 304 -12.251 24.825 11.040 1.00 14.01 O HETATM 1774 O HOH B 306 -26.781 27.292 21.649 1.00 16.78 O HETATM 1775 O HOH B 308 -25.769 16.232 24.638 1.00 19.18 O HETATM 1776 O HOH B 311 -17.208 13.859 23.240 1.00 21.54 O HETATM 1777 O HOH B 313 -18.916 22.494 12.433 1.00 22.17 O HETATM 1778 O HOH B 314 -19.460 22.880 9.269 1.00 22.48 O HETATM 1779 O HOH B 315 -30.342 29.910 33.458 1.00 22.83 O HETATM 1780 O HOH B 316 -12.055 17.802 35.058 1.00 23.67 O HETATM 1781 O HOH B 320 -31.461 26.483 27.355 1.00 24.52 O HETATM 1782 O HOH B 321 -25.830 43.751 32.570 1.00 24.81 O HETATM 1783 O HOH B 323 -27.072 35.267 20.358 1.00 25.65 O HETATM 1784 O HOH B 325 -26.183 20.079 25.376 1.00 25.93 O HETATM 1785 O HOH B 330 -6.492 32.985 38.572 1.00 26.85 O HETATM 1786 O HOH B 332 -17.364 43.522 27.184 1.00 27.44 O HETATM 1787 O HOH B 333 -27.622 26.925 16.213 1.00 27.45 O HETATM 1788 O HOH B 334 -23.213 19.786 5.103 1.00 27.62 O HETATM 1789 O HOH B 336 -18.278 28.837 9.063 1.00 27.80 O HETATM 1790 O HOH B 338 -13.558 43.637 33.340 1.00 28.59 O HETATM 1791 O HOH B 339 -22.383 39.652 26.198 1.00 28.62 O HETATM 1792 O HOH B 340 -25.797 29.978 22.352 1.00 28.66 O HETATM 1793 O HOH B 343 -17.947 16.662 19.140 1.00 29.39 O HETATM 1794 O HOH B 345 -24.373 37.207 21.805 1.00 29.47 O HETATM 1795 O HOH B 347 -30.086 14.118 12.504 1.00 29.88 O HETATM 1796 O HOH B 350 -27.876 35.891 41.870 1.00 30.25 O HETATM 1797 O HOH B 351 -17.125 41.603 20.712 1.00 30.44 O HETATM 1798 O HOH B 354 -18.602 39.761 16.676 1.00 31.35 O HETATM 1799 O HOH B 358 -30.752 35.276 14.128 1.00 31.58 O HETATM 1800 O HOH B 359 -20.098 28.204 16.746 1.00 31.85 O HETATM 1801 O HOH B 360 -29.974 20.987 14.964 1.00 31.87 O HETATM 1802 O HOH B 361 -17.298 21.952 38.410 1.00 32.35 O HETATM 1803 O HOH B 365 -9.063 29.086 13.494 1.00 34.83 O HETATM 1804 O HOH B 366 -20.285 16.930 6.423 1.00 34.88 O HETATM 1805 O HOH B 367 -9.246 21.845 10.523 1.00 35.37 O HETATM 1806 O HOH B 368 -19.759 22.868 39.852 1.00 35.62 O HETATM 1807 O HOH B 370 -26.717 16.332 10.529 1.00 36.42 O HETATM 1808 O HOH B 373 -6.345 41.646 30.287 1.00 36.81 O HETATM 1809 O HOH B 374 -3.315 34.513 40.076 1.00 36.87 O HETATM 1810 O HOH B 375 -7.529 31.238 17.181 1.00 37.05 O HETATM 1811 O HOH B 381 -31.815 27.757 34.296 1.00 38.60 O HETATM 1812 O HOH B 382 -10.880 21.585 18.502 1.00 40.10 O HETATM 1813 O HOH B 383 -16.599 14.134 8.474 1.00 40.13 O HETATM 1814 O HOH B 385 -17.227 44.846 24.752 1.00 40.43 O HETATM 1815 O HOH B 386 -11.358 14.846 26.823 1.00 41.48 O HETATM 1816 O HOH B 388 -22.612 15.918 24.116 1.00 41.61 O HETATM 1817 O HOH B 389 -31.643 37.274 33.319 1.00 42.47 O HETATM 1818 O HOH B 390 -10.797 44.170 27.729 1.00 42.71 O HETATM 1819 O HOH B 391 -4.819 39.739 37.983 1.00 42.81 O HETATM 1820 O HOH B 392 -5.661 40.293 27.724 1.00 42.98 O HETATM 1821 O HOH B 393 -6.477 28.979 21.583 1.00 43.18 O HETATM 1822 O HOH B 398 -23.201 36.371 26.665 1.00 44.38 O HETATM 1823 O HOH B 401 -29.753 31.473 26.087 1.00 45.41 O HETATM 1824 O HOH B 403 -18.067 21.080 34.720 1.00 46.43 O HETATM 1825 O HOH B 405 -28.187 20.116 22.615 1.00 47.24 O HETATM 1826 O HOH B 408 -28.249 22.319 7.820 1.00 49.21 O HETATM 1827 O HOH B 412 -26.941 37.075 14.991 1.00 51.20 O HETATM 1828 O HOH B 414 -13.583 13.439 25.172 1.00 51.59 O HETATM 1829 O HOH B 421 -20.690 11.915 24.279 1.00 54.75 O HETATM 1830 O HOH B 423 -30.718 16.497 11.482 1.00 55.39 O HETATM 1831 O HOH B 425 -0.679 36.785 35.107 1.00 59.05 O CONECT 1640 1641 1642 1643 CONECT 1641 1640 1683 CONECT 1642 1640 CONECT 1643 1640 1644 1648 CONECT 1644 1643 1645 CONECT 1645 1644 1646 CONECT 1646 1645 1647 CONECT 1647 1646 1648 CONECT 1648 1643 1647 1705 CONECT 1649 1651 1652 1705 CONECT 1650 1705 CONECT 1651 1649 1653 1654 1655 CONECT 1652 1649 CONECT 1653 1651 1656 1694 CONECT 1654 1651 1658 CONECT 1655 1651 CONECT 1656 1653 1657 CONECT 1657 1656 1658 CONECT 1658 1654 1657 1659 CONECT 1659 1658 1660 CONECT 1660 1659 1661 1662 CONECT 1661 1660 1663 1695 CONECT 1662 1660 1701 CONECT 1663 1661 1664 CONECT 1664 1663 1665 CONECT 1665 1664 1666 CONECT 1666 1665 1667 CONECT 1667 1666 1668 CONECT 1668 1667 1669 1696 CONECT 1669 1668 1670 CONECT 1670 1669 1671 1697 CONECT 1671 1670 1672 1673 CONECT 1672 1671 1674 1675 CONECT 1673 1671 CONECT 1674 1672 1676 1677 CONECT 1675 1672 1702 CONECT 1676 1674 1678 1698 CONECT 1677 1674 CONECT 1678 1676 1679 CONECT 1679 1678 1680 1699 CONECT 1680 1679 1681 1682 CONECT 1681 1680 1683 CONECT 1682 1680 CONECT 1683 1641 1681 1684 CONECT 1684 1683 1685 1700 CONECT 1685 1684 1686 CONECT 1686 1685 1687 1693 CONECT 1687 1686 1688 CONECT 1688 1687 1689 1690 CONECT 1689 1688 1691 1692 CONECT 1690 1688 1703 CONECT 1691 1689 1693 CONECT 1692 1689 CONECT 1693 1686 1691 CONECT 1694 1653 CONECT 1695 1661 CONECT 1696 1668 CONECT 1697 1670 CONECT 1698 1676 CONECT 1699 1679 CONECT 1700 1684 CONECT 1701 1662 1704 CONECT 1702 1675 CONECT 1703 1690 CONECT 1704 1701 CONECT 1705 1648 1649 1650 END