USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN STORAGE 01-FEB-95 1LHS TITLE LOGGERHEAD SEA TURTLE MYOGLOBIN (AQUO-MET) COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYOGLOBIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CARETTA CARETTA; SOURCE 3 ORGANISM_COMMON: LOGGERHEAD TURTLE; SOURCE 4 ORGANISM_TAXID: 8467 KEYWDS OXYGEN STORAGE EXPDTA X-RAY DIFFRACTION AUTHOR M.NARDINI,C.TARRICONE,A.LANIA,A.DESIDERI,G.DE SANCTIS,M.COLETTA, AUTHOR 2 R.PETRUZZELLI,P.ASCENZI,A.CODA,M.BOLOGNESI REVDAT 4 22-FEB-12 1LHS 1 JRNL VERSN REVDAT 3 24-FEB-09 1LHS 1 VERSN REVDAT 2 01-APR-03 1LHS 1 JRNL REVDAT 1 03-JUN-95 1LHS 0 JRNL AUTH M.NARDINI,C.TARRICONE,M.RIZZI,A.LANIA,A.DESIDERI, JRNL AUTH 2 G.DE SANCTIS,M.COLETTA,R.PETRUZZELLI,P.ASCENZI,A.CODA, JRNL AUTH 3 M.BOLOGNESI JRNL TITL REPTILE HEME PROTEIN STRUCTURE: X-RAY CRYSTALLOGRAPHIC STUDY JRNL TITL 2 OF THE AQUO-MET AND CYANO-MET DERIVATIVES OF THE LOGGERHEAD JRNL TITL 3 SEA TURTLE (CARETTA CARETTA) MYOGLOBIN AT 2.0 A RESOLUTION. JRNL REF J.MOL.BIOL. V. 247 459 1995 JRNL REFN ISSN 0022-2836 JRNL PMID 7714901 JRNL DOI 10.1006/JMBI.1994.0153 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH E.CONTI,C.MOSER,M.RIZZI,A.MATTEVI,C.LIONETTI,A.CODA, REMARK 1 AUTH 2 P.ASCENZI,M.BRUNORI,M.BOLOGNESI REMARK 1 TITL X-RAY CRYSTAL STRUCTURE OF APLYSIA LIMACINA MYOGLOBIN IN REMARK 1 TITL 2 DIFFERENT LIGANDED STATES REMARK 1 REF J.MOL.BIOL. V. 233 498 1993 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH R.PETRUZZELLI,G.AURELI,E.CASALE,M.NARDINI,M.RIZZI,P.ASCENZI, REMARK 1 AUTH 2 M.COLETTA,G.DE SANCTIS,A.DESIDERI,A.GALTIERI,M.BOLOGNESI REMARK 1 TITL STRUCTURAL STUDIES ON THE LOGGERHEAD SEA TURTLE (CARETTA REMARK 1 TITL 2 CARETTA) MYOGLOBIN REMARK 1 REF BIOCHEM.MOL.BIOL.INT. V. 31 19 1993 REMARK 1 REFN ISSN 1039-9712 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT, X-PLOR 3.1 REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS,BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 13820 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.182 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1139 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 43 REMARK 3 SOLVENT ATOMS : 63 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : NULL ; NULL ; NULL REMARK 3 BOND ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : NULL REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LHS 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 : 02-OCT-94 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13820 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.7 REMARK 200 DATA REDUNDANCY : 4.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR 3.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.24 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.47 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL 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 18.75000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 37.60000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.55000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 37.60000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.75000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.55000 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASP A 5 OD1 OD2 REMARK 470 ARG A 31 CD NE CZ NH1 NH2 REMARK 470 GLU A 41 CG CD OE1 OE2 REMARK 470 ARG A 42 NH2 REMARK 470 LYS A 45 CG CD CE NZ REMARK 470 LYS A 47 CB CG CD CE NZ REMARK 470 ASN A 48 CB CG OD1 ND2 REMARK 470 THR A 51 OG1 CG2 REMARK 470 ILE A 52 CG1 CD1 REMARK 470 ASP A 53 CG OD1 OD2 REMARK 470 LYS A 56 CB CG CD CE NZ REMARK 470 GLU A 59 CG CD OE1 OE2 REMARK 470 LYS A 62 NZ REMARK 470 LYS A 63 CE NZ REMARK 470 GLN A 78 CD OE1 NE2 REMARK 470 GLU A 83 CD OE1 OE2 REMARK 470 GLN A 84 CG CD OE1 NE2 REMARK 470 LYS A 87 CG CD CE NZ REMARK 470 LYS A 96 CE NZ REMARK 470 LYS A 98 CD CE NZ REMARK 470 LYS A 102 CD CE NZ REMARK 470 GLU A 109 CG CD OE1 OE2 REMARK 470 LYS A 113 CG CD CE NZ REMARK 470 LYS A 132 NZ REMARK 470 LYS A 133 NZ REMARK 470 ARG A 139 NH2 REMARK 470 LYS A 145 CD CE NZ REMARK 470 LYS A 147 CG CD CE NZ REMARK 470 GLN A 152 CB CG CD OE1 NE2 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 GLU A 105 O HOH A 312 1545 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 LEU A 21 C SER A 22 N -0.175 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 5 O - C - N ANGL. DEV. = -16.3 DEGREES REMARK 500 VAL A 28 CG1 - CB - CG2 ANGL. DEV. = -10.9 DEGREES REMARK 500 THR A 50 N - CA - CB ANGL. DEV. = -18.6 DEGREES REMARK 500 ILE A 52 CB - CA - C ANGL. DEV. = -19.0 DEGREES REMARK 500 ARG A 74 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 TYR A 103 CB - CG - CD1 ANGL. DEV. = -4.1 DEGREES REMARK 500 TYR A 146 CB - CG - CD2 ANGL. DEV. = -5.2 DEGREES REMARK 500 TYR A 146 CB - CG - CD1 ANGL. DEV. = 3.9 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LEU A 49 78.10 -66.49 REMARK 500 LYS A 79 -125.21 55.25 REMARK 500 LYS A 96 -70.72 -103.22 REMARK 500 LYS A 98 60.62 60.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ASP A 5 -23.13 REMARK 500 ILE A 13 14.80 REMARK 500 GLN A 34 -11.74 REMARK 500 ALA A 54 -12.55 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 LEU A 21 24.6 L L OUTSIDE RANGE REMARK 500 LEU A 69 23.6 L L OUTSIDE RANGE 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 250 DISTANCE = 6.22 ANGSTROMS REMARK 525 HOH A 301 DISTANCE = 8.41 ANGSTROMS REMARK 525 HOH A 312 DISTANCE = 37.98 ANGSTROMS REMARK 525 HOH A 316 DISTANCE = 5.72 ANGSTROMS REMARK 525 HOH A 323 DISTANCE = 5.82 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 155 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 93 NE2 REMARK 620 2 HEM A 155 NA 79.6 REMARK 620 3 HEM A 155 NB 88.8 88.0 REMARK 620 4 HEM A 155 NC 99.7 176.9 89.0 REMARK 620 5 HEM A 155 ND 89.0 89.4 176.8 93.7 REMARK 620 6 HOH A 328 O 175.3 104.7 93.2 76.1 89.2 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 155 DBREF 1LHS A 1 153 UNP P56208 MYG_CARCR 1 153 SEQRES 1 A 153 GLY LEU SER ASP ASP GLU TRP ASN HIS VAL LEU GLY ILE SEQRES 2 A 153 TRP ALA LYS VAL GLU PRO ASP LEU SER ALA HIS GLY GLN SEQRES 3 A 153 GLU VAL ILE ILE ARG LEU PHE GLN LEU HIS PRO GLU THR SEQRES 4 A 153 GLN GLU ARG PHE ALA LYS PHE LYS ASN LEU THR THR ILE SEQRES 5 A 153 ASP ALA LEU LYS SER SER GLU GLU VAL LYS LYS HIS GLY SEQRES 6 A 153 THR THR VAL LEU THR ALA LEU GLY ARG ILE LEU LYS GLN SEQRES 7 A 153 LYS ASN ASN HIS GLU GLN GLU LEU LYS PRO LEU ALA GLU SEQRES 8 A 153 SER HIS ALA THR LYS HIS LYS ILE PRO VAL LYS TYR LEU SEQRES 9 A 153 GLU PHE ILE CYS GLU ILE ILE VAL LYS VAL ILE ALA GLU SEQRES 10 A 153 LYS HIS PRO SER ASP PHE GLY ALA ASP SER GLN ALA ALA SEQRES 11 A 153 MET LYS LYS ALA LEU GLU LEU PHE ARG ASN ASP MET ALA SEQRES 12 A 153 SER LYS TYR LYS GLU PHE GLY PHE GLN GLY HET HEM A 155 43 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 FORMUL 3 HOH *63(H2 O) HELIX 1 1 ASP A 4 LEU A 35 1 32 HELIX 2 2 PRO A 37 ARG A 42 1 6 HELIX 3 3 ALA A 44 PHE A 46 5 3 HELIX 4 4 ILE A 52 LYS A 56 1 5 HELIX 5 5 GLU A 59 GLN A 78 1 20 HELIX 6 6 GLU A 83 THR A 95 1 13 HELIX 7 7 VAL A 101 LYS A 118 1 18 HELIX 8 8 ALA A 125 PHE A 149 1 25 LINK FE HEM A 155 NE2 HIS A 93 1555 1555 2.32 LINK FE HEM A 155 O HOH A 328 1555 1555 2.01 SITE *** AC1 15 THR A 39 ARG A 42 PHE A 43 HIS A 64 SITE *** AC1 15 THR A 67 VAL A 68 LEU A 89 SER A 92 SITE *** AC1 15 HIS A 93 HIS A 97 ILE A 99 TYR A 103 SITE *** AC1 15 PHE A 138 HOH A 204 HOH A 328 CRYST1 37.500 61.100 75.200 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 0.026667 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016367 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013298 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 SER H : A 22 SER N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 51 THR H : A 51 THR N : A 50 THR C :(H bumps) USER MOD NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 155 HEMFE :(H bumps) USER MOD Set 1.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 THR OG1 : rot 82:sc= 1.79 USER MOD Set 2.1: A 24 HIS : no HE2:sc= -0.229 K(o=-1.6,f=-5.2) USER MOD Set 2.2: A 119 HIS :FLIP no HD1:sc= -1.36 F(o=-2.9!,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.514 USER MOD Single : A 8 ASN : amide:sc= 0.582 K(o=0.58,f=-1.7!) USER MOD Single : A 9 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0.14) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000859) USER MOD Single : A 26 GLN : amide:sc= -0.799 K(o=-0.8,f=-2.1!) USER MOD Single : A 34 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.49) USER MOD Single : A 36 HIS : no HD1:sc= -0.0298 X(o=-0.03,f=-0.029) USER MOD Single : A 39 THR OG1 : rot -75:sc= 1.16 USER MOD Single : A 40 GLN : amide:sc= 0.0238 K(o=0.024,f=-2.3!) USER MOD Single : A 50 THR OG1 : rot 100:sc= 0.644 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0736 USER MOD Single : A 64 HIS : no HE2:sc= -0.019 K(o=-0.019,f=-1.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 85:sc= 0.698 USER MOD Single : A 77 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.15) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= -0.497 (180deg=-0.506) USER MOD Single : A 80 ASN : amide:sc= 0.211 K(o=0.21,f=-3.6!) USER MOD Single : A 81 ASN : amide:sc= 1.02 X(o=1,f=0.68) USER MOD Single : A 82 HIS : no HD1:sc= 1.65 K(o=1.7,f=-8.3!) USER MOD Single : A 92 SER OG : rot -177:sc= 1.29 USER MOD Single : A 95 THR OG1 : rot -68:sc= 0.421 USER MOD Single : A 97 HIS : no HD1:sc= 0.365 K(o=0.36,f=-3.6!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 76:sc= 0.0718 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 37:sc= 0.811 USER MOD Single : A 128 GLN : amide:sc= -0.0655 K(o=-0.065,f=-2.3!) USER MOD Single : A 131 MET CE :methyl 159:sc= 0 (180deg=-0.054) USER MOD Single : A 140 ASN : amide:sc= -0.0401 K(o=-0.04,f=-1.6!) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 144 SER OG : rot 85:sc= 1.01 USER MOD Single : A 146 TYR OH : rot -156:sc= 1.12 USER MOD Single : A 155 HEM CMA :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 155 HEM CMB :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 155 HEM CMC :methyl -30:sc= -0.0131 (180deg=-1.15) USER MOD Single : A 155 HEM CMD :methyl 150:sc= -0.838 (180deg=-0.838) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.180 -3.024 1.334 1.00 48.52 N ATOM 2 CA GLY A 1 25.786 -2.795 1.029 1.00 35.01 C ATOM 3 C GLY A 1 25.620 -1.773 -0.061 1.00 34.02 C ATOM 4 O GLY A 1 25.787 -2.089 -1.247 1.00 80.00 O ATOM 0 H1 GLY A 1 27.247 -3.632 1.981 1.00 48.52 H new ATOM 0 H2 GLY A 1 27.599 -3.319 0.606 1.00 48.52 H new ATOM 0 H3 GLY A 1 27.554 -2.263 1.603 1.00 48.52 H new ATOM 0 HA2 GLY A 1 25.372 -3.629 0.758 1.00 35.01 H new ATOM 0 HA3 GLY A 1 25.324 -2.496 1.828 1.00 35.01 H new ATOM 5 N LEU A 2 25.433 -0.514 0.359 1.00 27.88 N ATOM 6 CA LEU A 2 25.123 0.589 -0.564 1.00 7.07 C ATOM 7 C LEU A 2 26.377 1.279 -1.056 1.00 23.18 C ATOM 8 O LEU A 2 27.403 1.295 -0.362 1.00 21.13 O ATOM 9 CB LEU A 2 24.357 1.706 0.135 1.00 22.27 C ATOM 10 CG LEU A 2 22.940 1.328 0.506 1.00 19.83 C ATOM 11 CD1 LEU A 2 22.895 0.225 1.558 1.00 23.18 C ATOM 12 CD2 LEU A 2 22.157 2.508 1.078 1.00 16.96 C ATOM 0 H LEU A 2 25.482 -0.276 1.184 1.00 27.88 H new ATOM 0 HA LEU A 2 24.617 0.175 -1.281 1.00 7.07 H new ATOM 0 HB2 LEU A 2 24.836 1.963 0.938 1.00 22.27 H new ATOM 0 HB3 LEU A 2 24.335 2.484 -0.444 1.00 22.27 H new ATOM 0 HG LEU A 2 22.540 1.025 -0.324 1.00 19.83 H new ATOM 0 HD11 LEU A 2 21.971 0.014 1.766 1.00 23.18 H new ATOM 0 HD12 LEU A 2 23.338 -0.567 1.216 1.00 23.18 H new ATOM 0 HD13 LEU A 2 23.347 0.526 2.362 1.00 23.18 H new ATOM 0 HD21 LEU A 2 21.257 2.222 1.301 1.00 16.96 H new ATOM 0 HD22 LEU A 2 22.600 2.834 1.877 1.00 16.96 H new ATOM 0 HD23 LEU A 2 22.116 3.219 0.419 1.00 16.96 H new ATOM 13 N SER A 3 26.225 1.832 -2.238 1.00 13.11 N ATOM 14 CA SER A 3 27.263 2.641 -2.865 1.00 27.10 C ATOM 15 C SER A 3 27.145 4.041 -2.282 1.00 29.43 C ATOM 16 O SER A 3 26.086 4.437 -1.780 1.00 18.28 O ATOM 17 CB SER A 3 27.061 2.683 -4.381 1.00 24.99 C ATOM 18 OG SER A 3 25.900 3.438 -4.693 1.00 31.33 O ATOM 0 H SER A 3 25.511 1.752 -2.711 1.00 13.11 H new ATOM 0 HA SER A 3 28.142 2.266 -2.696 1.00 27.10 H new ATOM 0 HB2 SER A 3 27.837 3.078 -4.808 1.00 24.99 H new ATOM 0 HB3 SER A 3 26.973 1.782 -4.729 1.00 24.99 H new ATOM 0 HG SER A 3 25.795 3.459 -5.526 1.00 31.33 H new ATOM 19 N ASP A 4 28.157 4.742 -2.383 1.00 19.53 N ATOM 20 CA ASP A 4 28.247 6.083 -1.792 1.00 26.52 C ATOM 21 C ASP A 4 27.119 6.975 -2.318 1.00 34.64 C ATOM 22 O ASP A 4 26.514 7.750 -1.571 1.00 31.17 O ATOM 23 CB ASP A 4 29.585 6.732 -2.161 1.00 18.34 C ATOM 24 CG ASP A 4 30.720 6.293 -1.240 1.00 29.27 C ATOM 25 OD1 ASP A 4 30.498 6.147 0.022 1.00 54.68 O ATOM 26 OD2 ASP A 4 31.893 6.066 -1.722 1.00 45.13 O ATOM 0 H ASP A 4 28.867 4.495 -2.801 1.00 19.53 H new ATOM 0 HA ASP A 4 28.174 5.992 -0.829 1.00 26.52 H new ATOM 0 HB2 ASP A 4 29.809 6.505 -3.077 1.00 18.34 H new ATOM 0 HB3 ASP A 4 29.495 7.697 -2.121 1.00 18.34 H new ATOM 27 N ASP A 5 26.856 6.821 -3.592 1.00 21.39 N ATOM 28 CA ASP A 5 25.886 7.652 -4.317 1.00 19.00 C ATOM 29 C ASP A 5 24.443 7.287 -3.908 1.00 23.76 C ATOM 30 O ASP A 5 23.696 8.157 -3.392 1.00 24.71 O ATOM 31 CB ASP A 5 26.260 7.520 -5.806 1.00 43.47 C ATOM 32 CG ASP A 5 25.137 7.247 -6.805 1.00 38.02 C ATOM 0 H ASP A 5 27.235 6.224 -4.082 1.00 21.39 H new ATOM 0 HA ASP A 5 25.920 8.596 -4.096 1.00 19.00 H new ATOM 0 HB2 ASP A 5 26.704 8.339 -6.075 1.00 43.47 H new ATOM 0 HB3 ASP A 5 26.910 6.805 -5.887 1.00 43.47 H new ATOM 33 N GLU A 6 24.147 6.078 -3.263 1.00 16.72 N ATOM 34 CA GLU A 6 22.917 5.713 -2.568 1.00 25.17 C ATOM 35 C GLU A 6 22.927 6.332 -1.199 1.00 15.55 C ATOM 36 O GLU A 6 21.936 6.956 -0.797 1.00 10.99 O ATOM 37 CB GLU A 6 22.808 4.174 -2.563 1.00 19.39 C ATOM 38 CG GLU A 6 22.822 3.608 -3.990 1.00 38.06 C ATOM 39 CD GLU A 6 22.872 2.111 -4.046 1.00 26.05 C ATOM 40 OE1 GLU A 6 23.835 1.530 -3.486 1.00 23.58 O ATOM 41 OE2 GLU A 6 21.905 1.542 -4.623 1.00 27.48 O ATOM 0 H GLU A 6 24.722 5.438 -3.242 1.00 16.72 H new ATOM 0 HA GLU A 6 22.125 6.054 -3.013 1.00 25.17 H new ATOM 0 HB2 GLU A 6 23.544 3.797 -2.056 1.00 19.39 H new ATOM 0 HB3 GLU A 6 21.990 3.907 -2.115 1.00 19.39 H new ATOM 0 HG2 GLU A 6 22.030 3.915 -4.458 1.00 38.06 H new ATOM 0 HG3 GLU A 6 23.589 3.967 -4.464 1.00 38.06 H new ATOM 42 N TRP A 7 24.103 6.163 -0.470 1.00 9.31 N ATOM 43 CA TRP A 7 24.172 6.793 0.868 1.00 16.48 C ATOM 44 C TRP A 7 23.869 8.291 0.701 1.00 17.18 C ATOM 45 O TRP A 7 23.166 8.909 1.506 1.00 23.07 O ATOM 46 CB TRP A 7 25.491 6.565 1.643 1.00 9.02 C ATOM 47 CG TRP A 7 25.528 5.164 2.133 1.00 13.35 C ATOM 48 CD1 TRP A 7 26.407 4.188 1.749 1.00 47.64 C ATOM 49 CD2 TRP A 7 24.618 4.583 3.055 1.00 20.62 C ATOM 50 NE1 TRP A 7 26.108 3.018 2.384 1.00 21.90 N ATOM 51 CE2 TRP A 7 25.010 3.231 3.205 1.00 11.26 C ATOM 52 CE3 TRP A 7 23.514 5.081 3.749 1.00 20.47 C ATOM 53 CZ2 TRP A 7 24.334 2.399 4.073 1.00 9.41 C ATOM 54 CZ3 TRP A 7 22.841 4.235 4.592 1.00 18.84 C ATOM 55 CH2 TRP A 7 23.242 2.897 4.755 1.00 26.07 C ATOM 0 H TRP A 7 24.798 5.725 -0.723 1.00 9.31 H new ATOM 0 HA TRP A 7 23.509 6.356 1.425 1.00 16.48 H new ATOM 0 HB2 TRP A 7 26.252 6.739 1.067 1.00 9.02 H new ATOM 0 HB3 TRP A 7 25.552 7.182 2.389 1.00 9.02 H new ATOM 0 HD1 TRP A 7 27.104 4.305 1.145 1.00 47.64 H new ATOM 0 HE1 TRP A 7 26.529 2.274 2.291 1.00 21.90 H new ATOM 0 HE3 TRP A 7 23.242 5.964 3.642 1.00 20.47 H new ATOM 0 HZ2 TRP A 7 24.609 1.519 4.196 1.00 9.41 H new ATOM 0 HZ3 TRP A 7 22.106 4.552 5.065 1.00 18.84 H new ATOM 0 HH2 TRP A 7 22.766 2.341 5.329 1.00 26.07 H new ATOM 56 N ASN A 8 24.413 8.880 -0.380 1.00 18.70 N ATOM 57 CA ASN A 8 24.143 10.291 -0.625 1.00 18.91 C ATOM 58 C ASN A 8 22.670 10.548 -0.701 1.00 25.22 C ATOM 59 O ASN A 8 22.219 11.560 -0.184 1.00 14.20 O ATOM 60 CB ASN A 8 24.854 10.960 -1.788 1.00 6.49 C ATOM 61 CG ASN A 8 26.280 11.200 -1.372 1.00 34.06 C ATOM 62 OD1 ASN A 8 26.561 11.464 -0.173 1.00 22.66 O ATOM 63 ND2 ASN A 8 27.157 11.036 -2.367 1.00 28.06 N ATOM 0 H ASN A 8 24.919 8.492 -0.956 1.00 18.70 H new ATOM 0 HA ASN A 8 24.538 10.717 0.151 1.00 18.91 H new ATOM 0 HB2 ASN A 8 24.819 10.398 -2.578 1.00 6.49 H new ATOM 0 HB3 ASN A 8 24.420 11.797 -2.017 1.00 6.49 H new ATOM 0 HD21 ASN A 8 28.000 11.110 -2.214 1.00 28.06 H new ATOM 0 HD22 ASN A 8 26.878 10.857 -3.161 1.00 28.06 H new ATOM 64 N HIS A 9 21.945 9.627 -1.331 1.00 16.16 N ATOM 65 CA HIS A 9 20.503 9.802 -1.416 1.00 16.70 C ATOM 66 C HIS A 9 19.882 9.585 -0.039 1.00 24.94 C ATOM 67 O HIS A 9 18.888 10.196 0.368 1.00 28.45 O ATOM 68 CB HIS A 9 19.852 8.712 -2.287 1.00 17.58 C ATOM 69 CG HIS A 9 19.782 9.167 -3.668 1.00 19.04 C ATOM 70 ND1 HIS A 9 20.724 8.740 -4.555 1.00 34.44 N ATOM 71 CD2 HIS A 9 18.924 10.017 -4.261 1.00 16.06 C ATOM 72 CE1 HIS A 9 20.424 9.314 -5.691 1.00 12.49 C ATOM 73 NE2 HIS A 9 19.369 10.078 -5.540 1.00 30.45 N ATOM 0 H HIS A 9 22.257 8.917 -1.704 1.00 16.16 H new ATOM 0 HA HIS A 9 20.355 10.690 -1.777 1.00 16.70 H new ATOM 0 HB2 HIS A 9 20.367 7.892 -2.233 1.00 17.58 H new ATOM 0 HB3 HIS A 9 18.962 8.511 -1.958 1.00 17.58 H new ATOM 0 HD2 HIS A 9 18.198 10.458 -3.883 1.00 16.06 H new ATOM 0 HE1 HIS A 9 20.890 9.198 -6.488 1.00 12.49 H new ATOM 0 HE2 HIS A 9 19.011 10.550 -6.163 1.00 30.45 H new ATOM 74 N VAL A 10 20.455 8.664 0.712 1.00 15.61 N ATOM 75 CA VAL A 10 19.814 8.446 1.985 1.00 15.57 C ATOM 76 C VAL A 10 19.976 9.632 2.936 1.00 20.50 C ATOM 77 O VAL A 10 19.018 10.132 3.564 1.00 13.43 O ATOM 78 CB VAL A 10 20.265 7.112 2.622 1.00 16.85 C ATOM 79 CG1 VAL A 10 19.819 6.981 4.082 1.00 20.91 C ATOM 80 CG2 VAL A 10 19.820 5.909 1.800 1.00 19.11 C ATOM 0 H VAL A 10 21.151 8.194 0.527 1.00 15.61 H new ATOM 0 HA VAL A 10 18.862 8.374 1.814 1.00 15.57 H new ATOM 0 HB VAL A 10 21.235 7.125 2.621 1.00 16.85 H new ATOM 0 HG11 VAL A 10 20.123 6.132 4.439 1.00 20.91 H new ATOM 0 HG12 VAL A 10 20.200 7.705 4.603 1.00 20.91 H new ATOM 0 HG13 VAL A 10 18.851 7.023 4.130 1.00 20.91 H new ATOM 0 HG21 VAL A 10 20.121 5.093 2.231 1.00 19.11 H new ATOM 0 HG22 VAL A 10 18.852 5.902 1.735 1.00 19.11 H new ATOM 0 HG23 VAL A 10 20.203 5.965 0.911 1.00 19.11 H new ATOM 81 N LEU A 11 21.230 10.048 3.063 1.00 10.10 N ATOM 82 CA LEU A 11 21.609 11.117 3.954 1.00 16.81 C ATOM 83 C LEU A 11 20.950 12.430 3.566 1.00 29.65 C ATOM 84 O LEU A 11 20.535 13.224 4.417 1.00 10.85 O ATOM 85 CB LEU A 11 23.108 11.134 4.241 1.00 8.30 C ATOM 86 CG LEU A 11 23.644 9.818 4.772 1.00 10.69 C ATOM 87 CD1 LEU A 11 25.128 9.846 5.153 1.00 21.96 C ATOM 88 CD2 LEU A 11 22.817 9.367 5.963 1.00 35.25 C ATOM 0 H LEU A 11 21.888 9.709 2.626 1.00 10.10 H new ATOM 0 HA LEU A 11 21.242 10.945 4.835 1.00 16.81 H new ATOM 0 HB2 LEU A 11 23.582 11.362 3.426 1.00 8.30 H new ATOM 0 HB3 LEU A 11 23.298 11.834 4.885 1.00 8.30 H new ATOM 0 HG LEU A 11 23.568 9.187 4.040 1.00 10.69 H new ATOM 0 HD11 LEU A 11 25.394 8.973 5.482 1.00 21.96 H new ATOM 0 HD12 LEU A 11 25.658 10.073 4.373 1.00 21.96 H new ATOM 0 HD13 LEU A 11 25.272 10.510 5.846 1.00 21.96 H new ATOM 0 HD21 LEU A 11 23.164 8.526 6.298 1.00 35.25 H new ATOM 0 HD22 LEU A 11 22.864 10.037 6.662 1.00 35.25 H new ATOM 0 HD23 LEU A 11 21.894 9.250 5.690 1.00 35.25 H new ATOM 89 N GLY A 12 20.794 12.611 2.268 1.00 14.16 N ATOM 90 CA GLY A 12 20.142 13.738 1.584 1.00 18.30 C ATOM 91 C GLY A 12 18.760 13.997 2.194 1.00 10.04 C ATOM 92 O GLY A 12 18.428 15.127 2.585 1.00 26.09 O ATOM 0 H GLY A 12 21.090 12.032 1.706 1.00 14.16 H new ATOM 0 HA2 GLY A 12 20.691 14.534 1.661 1.00 18.30 H new ATOM 0 HA3 GLY A 12 20.054 13.544 0.638 1.00 18.30 H new ATOM 93 N ILE A 13 17.958 12.929 2.255 1.00 40.86 N ATOM 94 CA ILE A 13 16.596 13.016 2.830 1.00 26.79 C ATOM 95 C ILE A 13 16.669 13.252 4.329 1.00 20.84 C ATOM 96 O ILE A 13 15.732 13.787 4.929 1.00 12.90 O ATOM 97 CB ILE A 13 15.760 11.737 2.670 1.00 12.02 C ATOM 98 CG1 ILE A 13 16.208 10.848 1.523 0.49 14.39 C ATOM 99 CG2 ILE A 13 14.274 12.046 2.419 0.68 12.06 C ATOM 100 CD1 ILE A 13 15.990 11.487 0.156 1.00 20.00 C ATOM 0 H ILE A 13 18.176 12.147 1.972 1.00 40.86 H new ATOM 0 HA ILE A 13 16.178 13.743 2.342 1.00 26.79 H new ATOM 0 HB ILE A 13 15.891 11.274 3.512 1.00 12.02 H new ATOM 0 HG12 ILE A 13 17.149 10.639 1.631 0.49 14.39 H new ATOM 0 HG13 ILE A 13 15.724 10.008 1.563 0.49 14.39 H new ATOM 0 HG21 ILE A 13 13.782 11.215 2.324 0.68 12.06 H new ATOM 0 HG22 ILE A 13 13.917 12.549 3.168 0.68 12.06 H new ATOM 0 HG23 ILE A 13 14.185 12.569 1.607 0.68 12.06 H new ATOM 0 HD11 ILE A 13 16.292 10.879 -0.537 1.00 20.00 H new ATOM 0 HD12 ILE A 13 15.046 11.674 0.033 1.00 20.00 H new ATOM 0 HD13 ILE A 13 16.493 12.315 0.102 1.00 20.00 H new ATOM 101 N TRP A 14 17.452 12.307 4.887 1.00 17.47 N ATOM 102 CA TRP A 14 17.526 12.265 6.339 1.00 27.66 C ATOM 103 C TRP A 14 17.681 13.696 6.889 1.00 20.71 C ATOM 104 O TRP A 14 17.040 14.104 7.899 1.00 21.00 O ATOM 105 CB TRP A 14 18.530 11.185 6.893 1.00 7.36 C ATOM 106 CG TRP A 14 18.241 10.938 8.331 1.00 18.99 C ATOM 107 CD1 TRP A 14 18.880 11.444 9.405 1.00 23.51 C ATOM 108 CD2 TRP A 14 17.143 10.195 8.816 1.00 8.64 C ATOM 109 NE1 TRP A 14 18.250 11.037 10.544 1.00 9.04 N ATOM 110 CE2 TRP A 14 17.174 10.276 10.222 1.00 18.59 C ATOM 111 CE3 TRP A 14 16.147 9.482 8.170 1.00 20.03 C ATOM 112 CZ2 TRP A 14 16.229 9.625 11.028 1.00 9.11 C ATOM 113 CZ3 TRP A 14 15.201 8.849 8.949 1.00 24.63 C ATOM 114 CH2 TRP A 14 15.248 8.942 10.343 1.00 12.78 C ATOM 0 H TRP A 14 17.917 11.720 4.464 1.00 17.47 H new ATOM 0 HA TRP A 14 16.686 11.933 6.693 1.00 27.66 H new ATOM 0 HB2 TRP A 14 18.445 10.361 6.389 1.00 7.36 H new ATOM 0 HB3 TRP A 14 19.444 11.491 6.784 1.00 7.36 H new ATOM 0 HD1 TRP A 14 19.634 11.987 9.374 1.00 23.51 H new ATOM 0 HE1 TRP A 14 18.497 11.233 11.344 1.00 9.04 H new ATOM 0 HE3 TRP A 14 16.117 9.432 7.242 1.00 20.03 H new ATOM 0 HZ2 TRP A 14 16.262 9.652 11.957 1.00 9.11 H new ATOM 0 HZ3 TRP A 14 14.525 8.356 8.543 1.00 24.63 H new ATOM 0 HH2 TRP A 14 14.581 8.520 10.835 1.00 12.78 H new ATOM 115 N ALA A 15 18.528 14.505 6.209 1.00 30.62 N ATOM 116 CA ALA A 15 18.735 15.898 6.641 1.00 18.30 C ATOM 117 C ALA A 15 17.456 16.710 6.638 1.00 13.07 C ATOM 118 O ALA A 15 17.327 17.652 7.429 1.00 20.46 O ATOM 119 CB ALA A 15 19.734 16.646 5.811 1.00 13.63 C ATOM 0 H ALA A 15 18.978 14.269 5.515 1.00 30.62 H new ATOM 0 HA ALA A 15 19.074 15.803 7.545 1.00 18.30 H new ATOM 0 HB1 ALA A 15 19.822 17.551 6.148 1.00 13.63 H new ATOM 0 HB2 ALA A 15 20.594 16.199 5.858 1.00 13.63 H new ATOM 0 HB3 ALA A 15 19.434 16.672 4.889 1.00 13.63 H new ATOM 120 N LYS A 16 16.547 16.327 5.742 1.00 16.84 N ATOM 121 CA LYS A 16 15.266 16.980 5.612 1.00 9.12 C ATOM 122 C LYS A 16 14.265 16.471 6.655 1.00 22.06 C ATOM 123 O LYS A 16 13.235 17.084 6.953 1.00 11.72 O ATOM 124 CB LYS A 16 14.735 16.938 4.204 1.00 29.80 C ATOM 125 CG LYS A 16 15.716 17.412 3.142 1.00 27.39 C ATOM 126 CD LYS A 16 15.097 18.320 2.100 1.00 57.06 C ATOM 127 CE LYS A 16 16.075 18.723 1.002 1.00 45.53 C ATOM 128 NZ LYS A 16 16.493 17.607 0.133 1.00 71.52 N ATOM 0 H LYS A 16 16.666 15.676 5.193 1.00 16.84 H new ATOM 0 HA LYS A 16 15.403 17.921 5.803 1.00 9.12 H new ATOM 0 HB2 LYS A 16 14.469 16.028 3.998 1.00 29.80 H new ATOM 0 HB3 LYS A 16 13.935 17.485 4.156 1.00 29.80 H new ATOM 0 HG2 LYS A 16 16.446 17.881 3.575 1.00 27.39 H new ATOM 0 HG3 LYS A 16 16.099 16.639 2.699 1.00 27.39 H new ATOM 0 HD2 LYS A 16 14.336 17.872 1.699 1.00 57.06 H new ATOM 0 HD3 LYS A 16 14.759 19.119 2.534 1.00 57.06 H new ATOM 0 HE2 LYS A 16 15.667 19.412 0.455 1.00 45.53 H new ATOM 0 HE3 LYS A 16 16.862 19.115 1.411 1.00 45.53 H new ATOM 0 HZ1 LYS A 16 17.049 17.910 -0.492 1.00 71.52 H new ATOM 0 HZ2 LYS A 16 16.905 16.988 0.622 1.00 71.52 H new ATOM 0 HZ3 LYS A 16 15.777 17.249 -0.256 1.00 71.52 H new ATOM 129 N VAL A 17 14.638 15.400 7.328 1.00 23.11 N ATOM 130 CA VAL A 17 13.718 14.736 8.261 1.00 13.46 C ATOM 131 C VAL A 17 13.928 15.260 9.688 1.00 29.31 C ATOM 132 O VAL A 17 12.961 15.508 10.419 1.00 19.19 O ATOM 133 CB VAL A 17 13.968 13.222 8.257 1.00 8.15 C ATOM 134 CG1 VAL A 17 13.356 12.503 9.464 1.00 5.28 C ATOM 135 CG2 VAL A 17 13.385 12.531 7.024 1.00 14.87 C ATOM 0 H VAL A 17 15.414 15.035 7.267 1.00 23.11 H new ATOM 0 HA VAL A 17 12.811 14.925 7.975 1.00 13.46 H new ATOM 0 HB VAL A 17 14.936 13.155 8.274 1.00 8.15 H new ATOM 0 HG11 VAL A 17 13.546 11.554 9.406 1.00 5.28 H new ATOM 0 HG12 VAL A 17 13.738 12.860 10.281 1.00 5.28 H new ATOM 0 HG13 VAL A 17 12.396 12.640 9.470 1.00 5.28 H new ATOM 0 HG21 VAL A 17 13.569 11.580 7.069 1.00 14.87 H new ATOM 0 HG22 VAL A 17 12.426 12.674 6.996 1.00 14.87 H new ATOM 0 HG23 VAL A 17 13.790 12.901 6.224 1.00 14.87 H new ATOM 136 N GLU A 18 15.168 15.474 10.035 1.00 11.16 N ATOM 137 CA GLU A 18 15.645 15.835 11.378 1.00 4.00 C ATOM 138 C GLU A 18 14.965 17.116 11.848 1.00 12.14 C ATOM 139 O GLU A 18 14.573 17.234 13.020 1.00 28.20 O ATOM 140 CB GLU A 18 17.151 16.040 11.353 1.00 6.90 C ATOM 141 CG GLU A 18 17.888 14.762 10.978 1.00 12.38 C ATOM 142 CD GLU A 18 19.397 14.884 11.116 1.00 26.85 C ATOM 143 OE1 GLU A 18 20.017 15.844 10.523 1.00 24.35 O ATOM 144 OE2 GLU A 18 20.047 14.025 11.822 1.00 28.72 O ATOM 0 H GLU A 18 15.811 15.413 9.467 1.00 11.16 H new ATOM 0 HA GLU A 18 15.428 15.115 11.991 1.00 4.00 H new ATOM 0 HB2 GLU A 18 17.372 16.739 10.718 1.00 6.90 H new ATOM 0 HB3 GLU A 18 17.451 16.343 12.224 1.00 6.90 H new ATOM 0 HG2 GLU A 18 17.574 14.037 11.541 1.00 12.38 H new ATOM 0 HG3 GLU A 18 17.670 14.526 10.063 1.00 12.38 H new ATOM 145 N PRO A 19 14.776 18.117 10.979 1.00 19.41 N ATOM 146 CA PRO A 19 14.119 19.341 11.381 1.00 9.76 C ATOM 147 C PRO A 19 12.776 19.024 11.973 1.00 20.90 C ATOM 148 O PRO A 19 12.383 19.688 12.981 1.00 17.28 O ATOM 149 CB PRO A 19 14.017 20.140 10.108 1.00 34.34 C ATOM 150 CG PRO A 19 14.700 19.348 9.007 1.00 41.09 C ATOM 151 CD PRO A 19 15.222 18.068 9.588 1.00 35.86 C ATOM 0 HA PRO A 19 14.596 19.836 12.065 1.00 9.76 H new ATOM 0 HB2 PRO A 19 13.088 20.304 9.883 1.00 34.34 H new ATOM 0 HB3 PRO A 19 14.439 21.006 10.216 1.00 34.34 H new ATOM 0 HG2 PRO A 19 14.074 19.161 8.290 1.00 41.09 H new ATOM 0 HG3 PRO A 19 15.426 19.864 8.623 1.00 41.09 H new ATOM 0 HD2 PRO A 19 14.864 17.294 9.125 1.00 35.86 H new ATOM 0 HD3 PRO A 19 16.188 18.015 9.525 1.00 35.86 H new ATOM 152 N ASP A 20 12.138 17.948 11.577 1.00 17.50 N ATOM 153 CA ASP A 20 10.838 17.549 12.160 1.00 11.00 C ATOM 154 C ASP A 20 10.795 16.102 12.648 1.00 31.61 C ATOM 155 O ASP A 20 9.731 15.482 12.520 1.00 19.66 O ATOM 156 CB ASP A 20 9.773 17.627 11.073 1.00 23.42 C ATOM 157 CG ASP A 20 8.993 18.871 11.156 1.00 56.78 C ATOM 158 OD1 ASP A 20 8.066 18.963 12.033 1.00 58.92 O ATOM 159 OD2 ASP A 20 9.402 19.795 10.403 1.00 80.00 O ATOM 0 H ASP A 20 12.429 17.417 10.966 1.00 17.50 H new ATOM 0 HA ASP A 20 10.694 18.146 12.911 1.00 11.00 H new ATOM 0 HB2 ASP A 20 10.196 17.569 10.202 1.00 23.42 H new ATOM 0 HB3 ASP A 20 9.176 16.866 11.150 1.00 23.42 H new ATOM 160 N LEU A 21 11.901 15.572 13.185 1.00 15.68 N ATOM 161 CA LEU A 21 11.969 14.186 13.634 1.00 13.52 C ATOM 162 C LEU A 21 10.852 13.696 14.572 1.00 40.35 C ATOM 163 O LEU A 21 10.238 12.634 14.447 1.00 16.65 O ATOM 164 CB LEU A 21 13.429 13.804 13.919 1.00 14.02 C ATOM 165 CG LEU A 21 13.650 12.430 14.466 1.00 16.96 C ATOM 166 CD1 LEU A 21 15.135 12.186 14.466 1.00 25.94 C ATOM 167 CD2 LEU A 21 13.181 12.421 15.910 1.00 24.20 C ATOM 0 H LEU A 21 12.632 16.012 13.297 1.00 15.68 H new ATOM 0 HA LEU A 21 11.701 13.610 12.901 1.00 13.52 H new ATOM 0 HB2 LEU A 21 13.934 13.891 13.096 1.00 14.02 H new ATOM 0 HB3 LEU A 21 13.797 14.446 14.546 1.00 14.02 H new ATOM 0 HG LEU A 21 13.178 11.762 13.945 1.00 16.96 H new ATOM 0 HD11 LEU A 21 15.318 11.300 14.816 1.00 25.94 H new ATOM 0 HD12 LEU A 21 15.474 12.251 13.559 1.00 25.94 H new ATOM 0 HD13 LEU A 21 15.572 12.849 15.023 1.00 25.94 H new ATOM 0 HD21 LEU A 21 13.314 11.538 16.288 1.00 24.20 H new ATOM 0 HD22 LEU A 21 13.690 13.071 16.420 1.00 24.20 H new ATOM 0 HD23 LEU A 21 12.239 12.649 15.946 1.00 24.20 H new ATOM 168 N SER A 22 10.532 14.396 15.441 1.00 15.35 N ATOM 169 CA SER A 22 9.471 14.235 16.444 1.00 34.88 C ATOM 170 C SER A 22 8.133 13.943 15.773 1.00 4.09 C ATOM 171 O SER A 22 7.416 13.005 16.133 1.00 15.95 O ATOM 172 CB SER A 22 9.297 15.523 17.234 1.00 35.74 C ATOM 173 OG SER A 22 10.089 15.482 18.403 1.00 80.00 O ATOM 0 HA SER A 22 9.730 13.501 17.023 1.00 34.88 H new ATOM 0 HB2 SER A 22 9.552 16.283 16.688 1.00 35.74 H new ATOM 0 HB3 SER A 22 8.364 15.643 17.470 1.00 35.74 H new ATOM 0 HG SER A 22 9.990 16.196 18.834 1.00 80.00 H new ATOM 174 N ALA A 23 7.799 14.765 14.807 1.00 11.66 N ATOM 175 CA ALA A 23 6.523 14.622 14.105 1.00 23.78 C ATOM 176 C ALA A 23 6.501 13.316 13.313 1.00 29.46 C ATOM 177 O ALA A 23 5.503 12.580 13.326 1.00 20.73 O ATOM 178 CB ALA A 23 6.306 15.796 13.160 1.00 31.05 C ATOM 0 H ALA A 23 8.289 15.417 14.534 1.00 11.66 H new ATOM 0 HA ALA A 23 5.810 14.608 14.763 1.00 23.78 H new ATOM 0 HB1 ALA A 23 5.458 15.690 12.701 1.00 31.05 H new ATOM 0 HB2 ALA A 23 6.297 16.623 13.667 1.00 31.05 H new ATOM 0 HB3 ALA A 23 7.024 15.824 12.509 1.00 31.05 H new ATOM 179 N HIS A 24 7.620 13.052 12.662 1.00 15.83 N ATOM 180 CA HIS A 24 7.795 11.850 11.827 1.00 16.12 C ATOM 181 C HIS A 24 7.734 10.599 12.715 1.00 39.67 C ATOM 182 O HIS A 24 7.036 9.624 12.413 1.00 19.47 O ATOM 183 CB HIS A 24 9.153 11.895 11.101 1.00 19.84 C ATOM 184 CG HIS A 24 9.137 12.735 9.813 1.00 15.24 C ATOM 185 ND1 HIS A 24 9.377 14.106 9.828 1.00 26.58 N ATOM 186 CD2 HIS A 24 8.918 12.407 8.508 1.00 56.11 C ATOM 187 CE1 HIS A 24 9.294 14.555 8.588 1.00 26.77 C ATOM 188 NE2 HIS A 24 9.019 13.556 7.789 1.00 40.44 N ATOM 0 H HIS A 24 8.312 13.563 12.685 1.00 15.83 H new ATOM 0 HA HIS A 24 7.086 11.821 11.166 1.00 16.12 H new ATOM 0 HB2 HIS A 24 9.822 12.255 11.704 1.00 19.84 H new ATOM 0 HB3 HIS A 24 9.425 10.990 10.884 1.00 19.84 H new ATOM 0 HD1 HIS A 24 9.550 14.580 10.525 1.00 26.58 H new ATOM 0 HD2 HIS A 24 8.735 11.559 8.174 1.00 56.11 H new ATOM 0 HE1 HIS A 24 9.412 15.439 8.325 1.00 26.77 H new ATOM 189 N GLY A 25 8.472 10.654 13.809 1.00 14.37 N ATOM 190 CA GLY A 25 8.526 9.548 14.779 1.00 23.81 C ATOM 191 C GLY A 25 7.110 9.208 15.261 1.00 27.13 C ATOM 192 O GLY A 25 6.720 8.032 15.335 1.00 23.06 O ATOM 0 H GLY A 25 8.960 11.330 14.020 1.00 14.37 H new ATOM 0 HA2 GLY A 25 8.933 8.768 14.370 1.00 23.81 H new ATOM 0 HA3 GLY A 25 9.083 9.796 15.534 1.00 23.81 H new ATOM 193 N GLN A 26 6.323 10.154 15.627 1.00 16.09 N ATOM 194 CA GLN A 26 5.006 9.807 16.120 1.00 15.46 C ATOM 195 C GLN A 26 4.051 9.241 15.059 1.00 21.34 C ATOM 196 O GLN A 26 3.187 8.405 15.366 1.00 33.09 O ATOM 197 CB GLN A 26 4.418 11.044 16.805 1.00 16.30 C ATOM 198 CG GLN A 26 2.894 11.014 16.992 1.00 17.88 C ATOM 199 CD GLN A 26 2.361 12.417 17.326 1.00 65.84 C ATOM 200 OE1 GLN A 26 3.025 13.451 17.200 1.00 47.68 O ATOM 201 NE2 GLN A 26 1.147 12.497 17.803 1.00 25.80 N ATOM 0 H GLN A 26 6.507 10.994 15.607 1.00 16.09 H new ATOM 0 HA GLN A 26 5.110 9.076 16.749 1.00 15.46 H new ATOM 0 HB2 GLN A 26 4.836 11.146 17.674 1.00 16.30 H new ATOM 0 HB3 GLN A 26 4.652 11.828 16.284 1.00 16.30 H new ATOM 0 HG2 GLN A 26 2.470 10.686 16.183 1.00 17.88 H new ATOM 0 HG3 GLN A 26 2.663 10.397 17.704 1.00 17.88 H new ATOM 0 HE21 GLN A 26 0.674 11.785 17.896 1.00 25.80 H new ATOM 0 HE22 GLN A 26 0.821 13.262 18.024 1.00 25.80 H new ATOM 202 N GLU A 27 4.191 9.691 13.799 1.00 18.68 N ATOM 203 CA GLU A 27 3.318 9.220 12.741 1.00 21.73 C ATOM 204 C GLU A 27 3.707 7.788 12.402 1.00 17.72 C ATOM 205 O GLU A 27 2.888 6.967 11.969 1.00 19.66 O ATOM 206 CB GLU A 27 3.352 10.148 11.493 1.00 26.14 C ATOM 207 CG GLU A 27 2.417 9.822 10.315 1.00 33.49 C ATOM 208 CD GLU A 27 0.979 10.138 10.602 1.00 24.74 C ATOM 209 OE1 GLU A 27 0.696 10.978 11.498 1.00 71.61 O ATOM 210 OE2 GLU A 27 0.117 9.439 10.017 1.00 80.00 O ATOM 0 H GLU A 27 4.783 10.263 13.551 1.00 18.68 H new ATOM 0 HA GLU A 27 2.399 9.240 13.050 1.00 21.73 H new ATOM 0 HB2 GLU A 27 3.151 11.050 11.789 1.00 26.14 H new ATOM 0 HB3 GLU A 27 4.261 10.156 11.155 1.00 26.14 H new ATOM 0 HG2 GLU A 27 2.703 10.321 9.534 1.00 33.49 H new ATOM 0 HG3 GLU A 27 2.498 8.881 10.095 1.00 33.49 H new ATOM 211 N VAL A 28 4.987 7.482 12.584 1.00 14.62 N ATOM 212 CA VAL A 28 5.422 6.113 12.267 1.00 23.06 C ATOM 213 C VAL A 28 4.879 5.121 13.321 1.00 25.65 C ATOM 214 O VAL A 28 4.520 3.968 13.039 1.00 21.04 O ATOM 215 CB VAL A 28 6.899 5.873 11.856 1.00 12.60 C ATOM 216 CG1 VAL A 28 7.398 6.773 10.753 1.00 9.01 C ATOM 217 CG2 VAL A 28 7.826 6.280 12.962 1.00 29.16 C ATOM 0 H VAL A 28 5.596 8.016 12.874 1.00 14.62 H new ATOM 0 HA VAL A 28 5.008 5.931 11.409 1.00 23.06 H new ATOM 0 HB VAL A 28 6.902 4.935 11.607 1.00 12.60 H new ATOM 0 HG11 VAL A 28 8.324 6.561 10.556 1.00 9.01 H new ATOM 0 HG12 VAL A 28 6.860 6.639 9.957 1.00 9.01 H new ATOM 0 HG13 VAL A 28 7.332 7.699 11.035 1.00 9.01 H new ATOM 0 HG21 VAL A 28 8.744 6.124 12.689 1.00 29.16 H new ATOM 0 HG22 VAL A 28 7.703 7.222 13.157 1.00 29.16 H new ATOM 0 HG23 VAL A 28 7.632 5.758 13.756 1.00 29.16 H new ATOM 218 N ILE A 29 4.790 5.568 14.563 1.00 10.33 N ATOM 219 CA ILE A 29 4.295 4.651 15.571 1.00 12.21 C ATOM 220 C ILE A 29 2.807 4.533 15.425 1.00 13.90 C ATOM 221 O ILE A 29 2.241 3.467 15.439 1.00 25.29 O ATOM 222 CB ILE A 29 4.766 5.017 17.002 1.00 28.61 C ATOM 223 CG1 ILE A 29 6.296 4.968 17.068 1.00 14.76 C ATOM 224 CG2 ILE A 29 4.261 3.997 18.021 1.00 19.19 C ATOM 225 CD1 ILE A 29 6.765 3.613 16.541 1.00 38.88 C ATOM 0 H ILE A 29 4.999 6.357 14.834 1.00 10.33 H new ATOM 0 HA ILE A 29 4.681 3.773 15.426 1.00 12.21 H new ATOM 0 HB ILE A 29 4.422 5.901 17.203 1.00 28.61 H new ATOM 0 HG12 ILE A 29 6.679 5.685 16.539 1.00 14.76 H new ATOM 0 HG13 ILE A 29 6.598 5.097 17.981 1.00 14.76 H new ATOM 0 HG21 ILE A 29 4.567 4.246 18.907 1.00 19.19 H new ATOM 0 HG22 ILE A 29 3.291 3.979 18.008 1.00 19.19 H new ATOM 0 HG23 ILE A 29 4.603 3.118 17.796 1.00 19.19 H new ATOM 0 HD11 ILE A 29 7.733 3.569 16.577 1.00 38.88 H new ATOM 0 HD12 ILE A 29 6.389 2.905 17.087 1.00 38.88 H new ATOM 0 HD13 ILE A 29 6.471 3.503 15.623 1.00 38.88 H new ATOM 226 N ILE A 30 2.154 5.648 15.280 1.00 14.38 N ATOM 227 CA ILE A 30 0.712 5.543 15.142 1.00 21.65 C ATOM 228 C ILE A 30 0.273 4.673 13.932 1.00 17.13 C ATOM 229 O ILE A 30 -0.664 3.891 14.005 1.00 21.59 O ATOM 230 CB ILE A 30 0.047 6.918 15.138 1.00 22.64 C ATOM 231 CG1 ILE A 30 0.470 7.735 16.350 1.00 24.72 C ATOM 232 CG2 ILE A 30 -1.460 6.708 15.135 1.00 23.28 C ATOM 233 CD1 ILE A 30 -0.335 9.016 16.438 1.00 18.05 C ATOM 0 H ILE A 30 2.490 6.439 15.258 1.00 14.38 H new ATOM 0 HA ILE A 30 0.397 5.070 15.928 1.00 21.65 H new ATOM 0 HB ILE A 30 0.321 7.413 14.350 1.00 22.64 H new ATOM 0 HG12 ILE A 30 0.345 7.213 17.158 1.00 24.72 H new ATOM 0 HG13 ILE A 30 1.415 7.945 16.291 1.00 24.72 H new ATOM 0 HG21 ILE A 30 -1.907 7.569 15.132 1.00 23.28 H new ATOM 0 HG22 ILE A 30 -1.716 6.209 14.343 1.00 23.28 H new ATOM 0 HG23 ILE A 30 -1.719 6.212 15.927 1.00 23.28 H new ATOM 0 HD11 ILE A 30 -0.052 9.523 17.215 1.00 18.05 H new ATOM 0 HD12 ILE A 30 -0.191 9.545 15.638 1.00 18.05 H new ATOM 0 HD13 ILE A 30 -1.278 8.801 16.518 1.00 18.05 H new ATOM 234 N ARG A 31 0.958 4.823 12.803 1.00 19.78 N ATOM 235 CA ARG A 31 0.693 4.102 11.567 1.00 24.50 C ATOM 236 C ARG A 31 0.969 2.605 11.614 1.00 20.00 C ATOM 237 O ARG A 31 0.315 1.824 10.897 1.00 21.79 O ATOM 238 CB ARG A 31 1.423 4.729 10.385 1.00 27.40 C ATOM 239 CG ARG A 31 0.878 6.097 9.989 1.00 80.00 C ATOM 0 H ARG A 31 1.617 5.371 12.735 1.00 19.78 H new ATOM 0 HA ARG A 31 -0.266 4.189 11.448 1.00 24.50 H new ATOM 0 HB2 ARG A 31 2.364 4.815 10.604 1.00 27.40 H new ATOM 0 HB3 ARG A 31 1.362 4.132 9.623 1.00 27.40 H new ATOM 240 N LEU A 32 1.974 2.250 12.420 1.00 19.29 N ATOM 241 CA LEU A 32 2.390 0.899 12.664 1.00 13.47 C ATOM 242 C LEU A 32 1.228 0.156 13.319 1.00 18.49 C ATOM 243 O LEU A 32 0.758 -0.865 12.810 1.00 25.53 O ATOM 244 CB LEU A 32 3.665 0.856 13.511 1.00 4.00 C ATOM 245 CG LEU A 32 4.239 -0.517 13.826 1.00 19.36 C ATOM 246 CD1 LEU A 32 4.575 -1.304 12.529 1.00 16.69 C ATOM 247 CD2 LEU A 32 5.497 -0.271 14.674 1.00 12.11 C ATOM 0 H LEU A 32 2.443 2.827 12.851 1.00 19.29 H new ATOM 0 HA LEU A 32 2.615 0.460 11.829 1.00 13.47 H new ATOM 0 HB2 LEU A 32 4.348 1.371 13.054 1.00 4.00 H new ATOM 0 HB3 LEU A 32 3.485 1.307 14.351 1.00 4.00 H new ATOM 0 HG LEU A 32 3.595 -1.062 14.306 1.00 19.36 H new ATOM 0 HD11 LEU A 32 4.938 -2.173 12.762 1.00 16.69 H new ATOM 0 HD12 LEU A 32 3.768 -1.422 12.003 1.00 16.69 H new ATOM 0 HD13 LEU A 32 5.229 -0.810 12.010 1.00 16.69 H new ATOM 0 HD21 LEU A 32 5.904 -1.121 14.903 1.00 12.11 H new ATOM 0 HD22 LEU A 32 6.129 0.264 14.168 1.00 12.11 H new ATOM 0 HD23 LEU A 32 5.253 0.200 15.486 1.00 12.11 H new ATOM 248 N PHE A 33 0.709 0.732 14.380 1.00 11.82 N ATOM 249 CA PHE A 33 -0.347 0.138 15.211 1.00 22.20 C ATOM 250 C PHE A 33 -1.683 0.095 14.464 1.00 23.15 C ATOM 251 O PHE A 33 -2.484 -0.830 14.633 1.00 19.27 O ATOM 252 CB PHE A 33 -0.604 0.983 16.457 1.00 23.44 C ATOM 253 CG PHE A 33 0.521 0.940 17.487 1.00 20.99 C ATOM 254 CD1 PHE A 33 1.560 0.009 17.365 1.00 19.50 C ATOM 255 CD2 PHE A 33 0.502 1.842 18.553 1.00 20.50 C ATOM 256 CE1 PHE A 33 2.586 -0.017 18.317 1.00 15.88 C ATOM 257 CE2 PHE A 33 1.527 1.817 19.504 1.00 25.40 C ATOM 258 CZ PHE A 33 2.570 0.888 19.386 1.00 34.43 C ATOM 0 H PHE A 33 0.961 1.506 14.657 1.00 11.82 H new ATOM 0 HA PHE A 33 -0.038 -0.753 15.439 1.00 22.20 H new ATOM 0 HB2 PHE A 33 -0.746 1.904 16.187 1.00 23.44 H new ATOM 0 HB3 PHE A 33 -1.425 0.680 16.877 1.00 23.44 H new ATOM 0 HD1 PHE A 33 1.568 -0.590 16.654 1.00 19.50 H new ATOM 0 HD2 PHE A 33 -0.191 2.458 18.630 1.00 20.50 H new ATOM 0 HE1 PHE A 33 3.277 -0.634 18.240 1.00 15.88 H new ATOM 0 HE2 PHE A 33 1.517 2.417 20.215 1.00 25.40 H new ATOM 0 HZ PHE A 33 3.252 0.872 20.018 1.00 34.43 H new ATOM 259 N GLN A 34 -1.905 1.106 13.652 1.00 22.16 N ATOM 260 CA GLN A 34 -3.170 1.253 12.917 1.00 32.92 C ATOM 261 C GLN A 34 -3.166 0.377 11.655 1.00 20.42 C ATOM 262 O GLN A 34 -4.043 -0.494 11.483 1.00 17.35 O ATOM 263 CB GLN A 34 -3.376 2.737 12.603 1.00 10.60 C ATOM 264 CG GLN A 34 -3.684 3.034 11.142 1.00 59.30 C ATOM 265 CD GLN A 34 -4.540 4.287 10.967 1.00 80.00 C ATOM 266 OE1 GLN A 34 -5.517 4.467 11.692 1.00 69.68 O ATOM 267 NE2 GLN A 34 -4.220 5.177 10.046 1.00 47.94 N ATOM 0 H GLN A 34 -1.335 1.733 13.503 1.00 22.16 H new ATOM 0 HA GLN A 34 -3.916 0.947 13.456 1.00 32.92 H new ATOM 0 HB2 GLN A 34 -4.102 3.074 13.150 1.00 10.60 H new ATOM 0 HB3 GLN A 34 -2.578 3.224 12.859 1.00 10.60 H new ATOM 0 HG2 GLN A 34 -2.852 3.144 10.655 1.00 59.30 H new ATOM 0 HG3 GLN A 34 -4.144 2.275 10.751 1.00 59.30 H new ATOM 0 HE21 GLN A 34 -3.536 5.047 9.541 1.00 47.94 H new ATOM 0 HE22 GLN A 34 -4.696 5.887 9.951 1.00 47.94 H new ATOM 268 N LEU A 35 -2.072 0.202 10.930 1.00 25.02 N ATOM 269 CA LEU A 35 -1.971 -0.729 9.835 1.00 15.07 C ATOM 270 C LEU A 35 -1.657 -2.120 10.356 1.00 50.44 C ATOM 271 O LEU A 35 -2.036 -3.053 9.699 1.00 20.37 O ATOM 272 CB LEU A 35 -0.858 -0.289 8.846 1.00 21.15 C ATOM 273 CG LEU A 35 -1.181 0.264 7.462 1.00 23.01 C ATOM 274 CD1 LEU A 35 -2.280 1.312 7.543 1.00 80.00 C ATOM 275 CD2 LEU A 35 0.091 0.821 6.843 1.00 54.68 C ATOM 0 H LEU A 35 -1.346 0.640 11.072 1.00 25.02 H new ATOM 0 HA LEU A 35 -2.822 -0.742 9.370 1.00 15.07 H new ATOM 0 HB2 LEU A 35 -0.330 0.386 9.301 1.00 21.15 H new ATOM 0 HB3 LEU A 35 -0.282 -1.058 8.713 1.00 21.15 H new ATOM 0 HG LEU A 35 -1.515 -0.447 6.894 1.00 23.01 H new ATOM 0 HD11 LEU A 35 -2.470 1.651 6.654 1.00 80.00 H new ATOM 0 HD12 LEU A 35 -3.082 0.912 7.915 1.00 80.00 H new ATOM 0 HD13 LEU A 35 -1.990 2.042 8.112 1.00 80.00 H new ATOM 0 HD21 LEU A 35 -0.106 1.175 5.962 1.00 54.68 H new ATOM 0 HD22 LEU A 35 0.441 1.530 7.405 1.00 54.68 H new ATOM 0 HD23 LEU A 35 0.751 0.114 6.767 1.00 54.68 H new ATOM 276 N HIS A 36 -0.923 -2.298 11.484 1.00 16.14 N ATOM 277 CA HIS A 36 -0.672 -3.668 11.958 1.00 12.46 C ATOM 278 C HIS A 36 -0.922 -3.753 13.461 1.00 20.41 C ATOM 279 O HIS A 36 0.026 -3.727 14.265 1.00 14.74 O ATOM 280 CB HIS A 36 0.776 -4.065 11.679 1.00 16.71 C ATOM 281 CG HIS A 36 1.214 -3.802 10.240 1.00 19.69 C ATOM 282 ND1 HIS A 36 0.968 -4.711 9.218 1.00 21.07 N ATOM 283 CD2 HIS A 36 1.873 -2.758 9.673 1.00 25.73 C ATOM 284 CE1 HIS A 36 1.470 -4.219 8.101 1.00 35.54 C ATOM 285 NE2 HIS A 36 2.015 -3.055 8.355 1.00 27.83 N ATOM 0 H HIS A 36 -0.582 -1.669 11.961 1.00 16.14 H new ATOM 0 HA HIS A 36 -1.272 -4.269 11.489 1.00 12.46 H new ATOM 0 HB2 HIS A 36 1.359 -3.577 12.281 1.00 16.71 H new ATOM 0 HB3 HIS A 36 0.889 -5.008 11.877 1.00 16.71 H new ATOM 0 HD2 HIS A 36 2.169 -1.989 10.104 1.00 25.73 H new ATOM 0 HE1 HIS A 36 1.441 -4.632 7.268 1.00 35.54 H new ATOM 0 HE2 HIS A 36 2.404 -2.554 7.774 1.00 27.83 H new ATOM 286 N PRO A 37 -2.191 -3.998 13.851 1.00 20.42 N ATOM 287 CA PRO A 37 -2.506 -3.907 15.259 1.00 18.71 C ATOM 288 C PRO A 37 -1.769 -4.953 16.085 1.00 37.10 C ATOM 289 O PRO A 37 -1.739 -4.843 17.343 1.00 37.78 O ATOM 290 CB PRO A 37 -4.009 -4.085 15.295 1.00 29.48 C ATOM 291 CG PRO A 37 -4.498 -4.174 13.857 1.00 19.37 C ATOM 292 CD PRO A 37 -3.325 -4.018 12.938 1.00 12.80 C ATOM 0 HA PRO A 37 -2.224 -3.067 15.654 1.00 18.71 H new ATOM 0 HB2 PRO A 37 -4.245 -4.888 15.785 1.00 29.48 H new ATOM 0 HB3 PRO A 37 -4.429 -3.340 15.752 1.00 29.48 H new ATOM 0 HG2 PRO A 37 -4.935 -5.026 13.703 1.00 19.37 H new ATOM 0 HG3 PRO A 37 -5.156 -3.483 13.682 1.00 19.37 H new ATOM 0 HD2 PRO A 37 -3.264 -4.752 12.306 1.00 12.80 H new ATOM 0 HD3 PRO A 37 -3.382 -3.201 12.419 1.00 12.80 H new ATOM 293 N GLU A 38 -1.143 -5.979 15.482 1.00 18.37 N ATOM 294 CA GLU A 38 -0.438 -6.983 16.344 1.00 28.46 C ATOM 295 C GLU A 38 0.758 -6.357 17.047 1.00 24.18 C ATOM 296 O GLU A 38 1.092 -6.751 18.174 1.00 23.94 O ATOM 297 CB GLU A 38 0.102 -8.237 15.626 1.00 32.74 C ATOM 298 CG GLU A 38 0.881 -7.960 14.361 1.00 58.58 C ATOM 299 CD GLU A 38 -0.069 -7.793 13.203 1.00 80.00 C ATOM 300 OE1 GLU A 38 -1.325 -7.626 13.447 1.00 41.11 O ATOM 301 OE2 GLU A 38 0.373 -7.809 12.002 1.00 35.29 O ATOM 0 H GLU A 38 -1.107 -6.117 14.634 1.00 18.37 H new ATOM 0 HA GLU A 38 -1.139 -7.265 16.953 1.00 28.46 H new ATOM 0 HB2 GLU A 38 0.672 -8.725 16.241 1.00 32.74 H new ATOM 0 HB3 GLU A 38 -0.645 -8.817 15.410 1.00 32.74 H new ATOM 0 HG2 GLU A 38 1.416 -7.158 14.470 1.00 58.58 H new ATOM 0 HG3 GLU A 38 1.496 -8.689 14.183 1.00 58.58 H new ATOM 302 N THR A 39 1.395 -5.428 16.404 1.00 20.69 N ATOM 303 CA THR A 39 2.598 -4.793 16.954 1.00 22.55 C ATOM 304 C THR A 39 2.284 -4.008 18.228 1.00 11.80 C ATOM 305 O THR A 39 3.147 -3.866 19.114 1.00 24.94 O ATOM 306 CB THR A 39 3.193 -3.867 15.900 1.00 23.79 C ATOM 307 OG1 THR A 39 2.230 -2.899 15.516 1.00 14.68 O ATOM 308 CG2 THR A 39 3.620 -4.616 14.633 1.00 12.28 C ATOM 0 H THR A 39 1.159 -5.131 15.632 1.00 20.69 H new ATOM 0 HA THR A 39 3.236 -5.485 17.188 1.00 22.55 H new ATOM 0 HB THR A 39 3.975 -3.458 16.302 1.00 23.79 H new ATOM 0 HG1 THR A 39 1.657 -3.256 15.016 1.00 14.68 H new ATOM 0 HG21 THR A 39 3.991 -3.987 13.995 1.00 12.28 H new ATOM 0 HG22 THR A 39 4.290 -5.279 14.859 1.00 12.28 H new ATOM 0 HG23 THR A 39 2.849 -5.056 14.242 1.00 12.28 H new ATOM 309 N GLN A 40 1.080 -3.611 18.348 1.00 12.81 N ATOM 310 CA GLN A 40 0.783 -2.856 19.518 1.00 20.56 C ATOM 311 C GLN A 40 0.851 -3.747 20.685 1.00 23.47 C ATOM 312 O GLN A 40 1.161 -3.283 21.733 1.00 15.80 O ATOM 313 CB GLN A 40 -0.548 -2.122 19.490 1.00 14.92 C ATOM 314 CG GLN A 40 -0.682 -1.007 20.558 1.00 22.67 C ATOM 315 CD GLN A 40 -1.944 -0.207 20.232 1.00 22.40 C ATOM 316 OE1 GLN A 40 -2.444 -0.249 19.097 1.00 29.36 O ATOM 317 NE2 GLN A 40 -2.524 0.432 21.216 1.00 27.78 N ATOM 0 H GLN A 40 0.434 -3.752 17.798 1.00 12.81 H new ATOM 0 HA GLN A 40 1.450 -2.154 19.568 1.00 20.56 H new ATOM 0 HB2 GLN A 40 -0.671 -1.730 18.611 1.00 14.92 H new ATOM 0 HB3 GLN A 40 -1.263 -2.765 19.617 1.00 14.92 H new ATOM 0 HG2 GLN A 40 -0.742 -1.391 21.447 1.00 22.67 H new ATOM 0 HG3 GLN A 40 0.099 -0.431 20.550 1.00 22.67 H new ATOM 0 HE21 GLN A 40 -2.158 0.447 21.994 1.00 27.78 H new ATOM 0 HE22 GLN A 40 -3.271 0.837 21.085 1.00 27.78 H new ATOM 318 N GLU A 41 0.566 -5.030 20.502 1.00 20.64 N ATOM 319 CA GLU A 41 0.622 -5.923 21.670 1.00 14.55 C ATOM 320 C GLU A 41 1.988 -6.082 22.361 1.00 21.74 C ATOM 321 O GLU A 41 2.073 -6.503 23.521 1.00 25.88 O ATOM 322 CB GLU A 41 0.055 -7.297 21.341 1.00 31.90 C ATOM 0 H GLU A 41 0.348 -5.396 19.755 1.00 20.64 H new ATOM 0 HA GLU A 41 0.069 -5.461 22.320 1.00 14.55 H new ATOM 323 N ARG A 42 3.059 -5.767 21.637 1.00 17.71 N ATOM 324 CA ARG A 42 4.433 -5.870 22.147 1.00 15.89 C ATOM 325 C ARG A 42 4.828 -4.722 23.061 1.00 11.23 C ATOM 326 O ARG A 42 5.941 -4.772 23.634 1.00 31.86 O ATOM 327 CB ARG A 42 5.440 -5.770 21.023 1.00 22.23 C ATOM 328 CG ARG A 42 5.366 -6.928 20.074 1.00 22.87 C ATOM 329 CD ARG A 42 6.189 -8.063 20.676 1.00 73.61 C ATOM 330 NE ARG A 42 5.281 -9.115 21.035 1.00 54.34 N ATOM 331 CZ ARG A 42 5.486 -10.370 20.728 1.00 80.00 C ATOM 332 NH1 ARG A 42 6.572 -10.761 20.077 1.00 79.02 N ATOM 0 H ARG A 42 3.012 -5.484 20.826 1.00 17.71 H new ATOM 0 HA ARG A 42 4.442 -6.721 22.613 1.00 15.89 H new ATOM 0 HB2 ARG A 42 5.292 -4.946 20.534 1.00 22.23 H new ATOM 0 HB3 ARG A 42 6.333 -5.721 21.398 1.00 22.23 H new ATOM 0 HG2 ARG A 42 4.446 -7.205 19.944 1.00 22.87 H new ATOM 0 HG3 ARG A 42 5.713 -6.679 19.203 1.00 22.87 H new ATOM 0 HD2 ARG A 42 6.846 -8.383 20.038 1.00 73.61 H new ATOM 0 HD3 ARG A 42 6.677 -7.754 21.455 1.00 73.61 H new ATOM 0 HE ARG A 42 4.569 -8.911 21.472 1.00 54.34 H new ATOM 0 HH11 ARG A 42 7.165 -10.183 19.845 1.00 79.02 H new ATOM 0 HH12 ARG A 42 6.683 -11.592 19.887 1.00 79.02 H new ATOM 333 N PHE A 43 3.997 -3.696 23.144 1.00 19.82 N ATOM 334 CA PHE A 43 4.321 -2.545 23.966 1.00 15.61 C ATOM 335 C PHE A 43 3.431 -2.497 25.155 1.00 13.59 C ATOM 336 O PHE A 43 2.335 -1.891 25.073 1.00 12.43 O ATOM 337 CB PHE A 43 4.072 -1.225 23.183 1.00 22.46 C ATOM 338 CG PHE A 43 5.056 -0.987 22.055 1.00 34.39 C ATOM 339 CD1 PHE A 43 4.836 -1.454 20.756 1.00 22.30 C ATOM 340 CD2 PHE A 43 6.231 -0.286 22.313 1.00 8.72 C ATOM 341 CE1 PHE A 43 5.750 -1.231 19.723 1.00 15.09 C ATOM 342 CE2 PHE A 43 7.160 -0.033 21.297 1.00 13.38 C ATOM 343 CZ PHE A 43 6.917 -0.520 20.008 1.00 21.75 C ATOM 0 H PHE A 43 3.243 -3.647 22.734 1.00 19.82 H new ATOM 0 HA PHE A 43 5.253 -2.629 24.222 1.00 15.61 H new ATOM 0 HB2 PHE A 43 3.173 -1.240 22.819 1.00 22.46 H new ATOM 0 HB3 PHE A 43 4.115 -0.479 23.801 1.00 22.46 H new ATOM 0 HD1 PHE A 43 4.057 -1.928 20.574 1.00 22.30 H new ATOM 0 HD2 PHE A 43 6.401 0.019 23.175 1.00 8.72 H new ATOM 0 HE1 PHE A 43 5.585 -1.549 18.865 1.00 15.09 H new ATOM 0 HE2 PHE A 43 7.931 0.454 21.477 1.00 13.38 H new ATOM 0 HZ PHE A 43 7.540 -0.368 19.334 1.00 21.75 H new ATOM 344 N ALA A 44 3.913 -3.120 26.238 1.00 12.83 N ATOM 345 CA ALA A 44 3.137 -3.155 27.486 1.00 22.73 C ATOM 346 C ALA A 44 2.663 -1.784 27.913 1.00 20.64 C ATOM 347 O ALA A 44 1.548 -1.557 28.377 1.00 28.98 O ATOM 348 CB ALA A 44 3.838 -3.919 28.603 1.00 35.81 C ATOM 0 H ALA A 44 4.673 -3.521 26.272 1.00 12.83 H new ATOM 0 HA ALA A 44 2.336 -3.665 27.288 1.00 22.73 H new ATOM 0 HB1 ALA A 44 3.284 -3.910 29.399 1.00 35.81 H new ATOM 0 HB2 ALA A 44 3.987 -4.836 28.324 1.00 35.81 H new ATOM 0 HB3 ALA A 44 4.690 -3.498 28.798 1.00 35.81 H new ATOM 349 N LYS A 45 3.532 -0.825 27.714 1.00 39.99 N ATOM 350 CA LYS A 45 3.209 0.533 28.080 1.00 24.36 C ATOM 351 C LYS A 45 2.121 1.168 27.251 1.00 52.81 C ATOM 352 O LYS A 45 1.496 2.084 27.745 1.00 28.49 O ATOM 353 CB LYS A 45 4.463 1.398 28.008 1.00 41.62 C ATOM 0 H LYS A 45 4.312 -0.935 27.370 1.00 39.99 H new ATOM 0 HA LYS A 45 2.864 0.483 28.985 1.00 24.36 H new ATOM 354 N PHE A 46 1.883 0.732 26.017 1.00 23.11 N ATOM 355 CA PHE A 46 0.852 1.414 25.233 1.00 22.99 C ATOM 356 C PHE A 46 -0.405 0.611 25.151 1.00 26.57 C ATOM 357 O PHE A 46 -1.296 0.910 24.362 1.00 34.01 O ATOM 358 CB PHE A 46 1.379 1.675 23.812 1.00 24.33 C ATOM 359 CG PHE A 46 2.594 2.558 23.799 1.00 21.22 C ATOM 360 CD1 PHE A 46 2.748 3.585 24.737 1.00 35.14 C ATOM 361 CD2 PHE A 46 3.546 2.418 22.791 1.00 15.44 C ATOM 362 CE1 PHE A 46 3.848 4.448 24.725 1.00 10.60 C ATOM 363 CE2 PHE A 46 4.651 3.277 22.757 1.00 25.05 C ATOM 364 CZ PHE A 46 4.801 4.273 23.722 1.00 40.05 C ATOM 0 H PHE A 46 2.283 0.077 25.629 1.00 23.11 H new ATOM 0 HA PHE A 46 0.646 2.251 25.678 1.00 22.99 H new ATOM 0 HB2 PHE A 46 1.594 0.828 23.390 1.00 24.33 H new ATOM 0 HB3 PHE A 46 0.679 2.086 23.282 1.00 24.33 H new ATOM 0 HD1 PHE A 46 2.096 3.697 25.391 1.00 35.14 H new ATOM 0 HD2 PHE A 46 3.448 1.757 22.144 1.00 15.44 H new ATOM 0 HE1 PHE A 46 3.941 5.117 25.365 1.00 10.60 H new ATOM 0 HE2 PHE A 46 5.289 3.183 22.087 1.00 25.05 H new ATOM 0 HZ PHE A 46 5.547 4.828 23.696 1.00 40.05 H new ATOM 365 N LYS A 47 -0.413 -0.438 25.974 1.00 38.82 N ATOM 366 CA LYS A 47 -1.519 -1.374 26.083 1.00 61.61 C ATOM 367 C LYS A 47 -2.916 -0.738 26.159 1.00 69.92 C ATOM 368 O LYS A 47 -3.814 -1.120 25.429 1.00 40.27 O ATOM 0 H LYS A 47 0.244 -0.625 26.496 1.00 38.82 H new ATOM 369 N ASN A 48 -3.070 0.230 27.063 1.00 44.77 N ATOM 370 CA ASN A 48 -4.274 0.983 27.360 1.00 49.68 C ATOM 371 C ASN A 48 -4.710 1.931 26.226 1.00 70.95 C ATOM 372 O ASN A 48 -5.891 2.188 26.021 1.00 49.53 O ATOM 0 H ASN A 48 -2.412 0.480 27.557 1.00 44.77 H new ATOM 373 N LEU A 49 -3.747 2.465 25.467 1.00 28.86 N ATOM 374 CA LEU A 49 -4.030 3.375 24.365 1.00 34.37 C ATOM 375 C LEU A 49 -4.754 2.626 23.301 1.00 24.99 C ATOM 376 O LEU A 49 -4.175 2.255 22.286 1.00 37.08 O ATOM 377 CB LEU A 49 -2.772 3.959 23.729 1.00 22.79 C ATOM 378 CG LEU A 49 -1.908 4.648 24.761 1.00 42.28 C ATOM 379 CD1 LEU A 49 -0.863 5.500 24.037 1.00 29.86 C ATOM 380 CD2 LEU A 49 -2.808 5.440 25.704 1.00 32.32 C ATOM 0 H LEU A 49 -2.910 2.305 25.582 1.00 28.86 H new ATOM 0 HA LEU A 49 -4.552 4.105 24.733 1.00 34.37 H new ATOM 0 HB2 LEU A 49 -2.266 3.252 23.299 1.00 22.79 H new ATOM 0 HB3 LEU A 49 -3.020 4.591 23.037 1.00 22.79 H new ATOM 0 HG LEU A 49 -1.419 4.015 25.310 1.00 42.28 H new ATOM 0 HD11 LEU A 49 -0.302 5.948 24.689 1.00 29.86 H new ATOM 0 HD12 LEU A 49 -0.314 4.931 23.475 1.00 29.86 H new ATOM 0 HD13 LEU A 49 -1.310 6.162 23.487 1.00 29.86 H new ATOM 0 HD21 LEU A 49 -2.264 5.887 26.371 1.00 32.32 H new ATOM 0 HD22 LEU A 49 -3.306 6.101 25.198 1.00 32.32 H new ATOM 0 HD23 LEU A 49 -3.427 4.837 26.144 1.00 32.32 H new ATOM 381 N THR A 50 -6.023 2.445 23.569 1.00 31.25 N ATOM 382 CA THR A 50 -6.986 1.734 22.757 1.00 25.99 C ATOM 383 C THR A 50 -7.538 2.470 21.510 1.00 29.70 C ATOM 384 O THR A 50 -7.399 1.977 20.409 1.00 60.31 O ATOM 385 CB THR A 50 -7.765 1.284 23.994 1.00 57.52 C ATOM 386 OG1 THR A 50 -7.135 0.203 24.653 1.00 42.11 O ATOM 387 CG2 THR A 50 -9.158 0.877 23.609 1.00 48.21 C ATOM 0 H THR A 50 -6.377 2.758 24.287 1.00 31.25 H new ATOM 0 HA THR A 50 -6.771 1.010 22.148 1.00 25.99 H new ATOM 0 HB THR A 50 -7.792 2.038 24.603 1.00 57.52 H new ATOM 0 HG1 THR A 50 -6.707 0.490 25.317 1.00 42.11 H new ATOM 0 HG21 THR A 50 -9.643 0.594 24.400 1.00 48.21 H new ATOM 0 HG22 THR A 50 -9.615 1.630 23.203 1.00 48.21 H new ATOM 0 HG23 THR A 50 -9.118 0.144 22.975 1.00 48.21 H new ATOM 388 N THR A 51 -8.126 3.537 21.511 1.00 80.00 N ATOM 389 CA THR A 51 -8.605 4.296 20.347 1.00 22.29 C ATOM 390 C THR A 51 -7.437 4.986 19.641 1.00 21.19 C ATOM 391 O THR A 51 -6.324 5.067 20.168 1.00 31.12 O ATOM 392 CB THR A 51 -9.560 5.402 20.797 1.00 43.54 C ATOM 0 HA THR A 51 -9.047 3.670 19.753 1.00 22.29 H new ATOM 393 N ILE A 52 -7.689 5.491 18.438 1.00 80.00 N ATOM 394 CA ILE A 52 -6.652 6.255 17.713 1.00 37.80 C ATOM 395 C ILE A 52 -6.306 7.529 18.392 1.00 56.46 C ATOM 396 O ILE A 52 -5.167 7.978 18.335 1.00 49.10 O ATOM 397 CB ILE A 52 -7.108 6.967 16.458 1.00 54.38 C ATOM 398 CG2 ILE A 52 -6.154 6.774 15.292 1.00 65.25 C ATOM 0 H ILE A 52 -8.437 5.410 18.022 1.00 80.00 H new ATOM 0 HA ILE A 52 -5.988 5.555 17.611 1.00 37.80 H new ATOM 0 HG21 ILE A 52 -6.491 7.248 14.516 1.00 65.25 H new ATOM 0 HG22 ILE A 52 -5.280 7.121 15.528 1.00 65.25 H new ATOM 0 HG23 ILE A 52 -6.081 5.829 15.086 1.00 65.25 H new ATOM 399 N ASP A 53 -7.336 8.054 18.968 1.00 36.23 N ATOM 400 CA ASP A 53 -7.253 9.412 19.522 1.00 55.88 C ATOM 401 C ASP A 53 -6.376 9.400 20.773 1.00 39.51 C ATOM 402 O ASP A 53 -5.686 10.371 21.091 1.00 33.71 O ATOM 403 CB ASP A 53 -8.657 9.918 19.841 1.00 48.40 C ATOM 0 H ASP A 53 -8.098 7.666 19.061 1.00 36.23 H new ATOM 0 HA ASP A 53 -6.852 10.011 18.873 1.00 55.88 H new ATOM 404 N ALA A 54 -6.400 8.293 21.460 1.00 45.65 N ATOM 405 CA ALA A 54 -5.599 8.136 22.664 1.00 19.55 C ATOM 406 C ALA A 54 -4.123 7.979 22.271 1.00 20.48 C ATOM 407 O ALA A 54 -3.226 8.612 22.856 1.00 31.48 O ATOM 408 CB ALA A 54 -6.102 6.915 23.418 1.00 57.29 C ATOM 0 H ALA A 54 -6.875 7.606 21.253 1.00 45.65 H new ATOM 0 HA ALA A 54 -5.677 8.914 23.238 1.00 19.55 H new ATOM 0 HB1 ALA A 54 -5.578 6.795 24.226 1.00 57.29 H new ATOM 0 HB2 ALA A 54 -7.034 7.041 23.654 1.00 57.29 H new ATOM 0 HB3 ALA A 54 -6.015 6.129 22.856 1.00 57.29 H new ATOM 409 N LEU A 55 -3.864 7.545 20.991 1.00 26.09 N ATOM 410 CA LEU A 55 -2.550 7.446 20.363 1.00 60.05 C ATOM 411 C LEU A 55 -2.081 8.833 19.944 1.00 25.31 C ATOM 412 O LEU A 55 -1.000 9.298 20.322 1.00 48.73 O ATOM 413 CB LEU A 55 -2.509 6.477 19.163 1.00 41.53 C ATOM 414 CG LEU A 55 -2.341 4.998 19.520 1.00 49.55 C ATOM 415 CD1 LEU A 55 -1.998 4.297 18.236 1.00 22.58 C ATOM 416 CD2 LEU A 55 -1.192 4.744 20.501 1.00 32.18 C ATOM 0 H LEU A 55 -4.496 7.295 20.464 1.00 26.09 H new ATOM 0 HA LEU A 55 -1.948 7.073 21.026 1.00 60.05 H new ATOM 0 HB2 LEU A 55 -3.329 6.580 18.655 1.00 41.53 H new ATOM 0 HB3 LEU A 55 -1.779 6.738 18.580 1.00 41.53 H new ATOM 0 HG LEU A 55 -3.157 4.684 19.940 1.00 49.55 H new ATOM 0 HD11 LEU A 55 -1.880 3.349 18.406 1.00 22.58 H new ATOM 0 HD12 LEU A 55 -2.716 4.423 17.596 1.00 22.58 H new ATOM 0 HD13 LEU A 55 -1.176 4.665 17.875 1.00 22.58 H new ATOM 0 HD21 LEU A 55 -1.132 3.795 20.691 1.00 32.18 H new ATOM 0 HD22 LEU A 55 -0.358 5.048 20.109 1.00 32.18 H new ATOM 0 HD23 LEU A 55 -1.357 5.228 21.325 1.00 32.18 H new ATOM 417 N LYS A 56 -2.914 9.518 19.173 1.00 73.91 N ATOM 418 CA LYS A 56 -2.560 10.852 18.743 1.00 37.82 C ATOM 419 C LYS A 56 -2.213 11.729 19.949 1.00 52.39 C ATOM 420 O LYS A 56 -1.341 12.587 19.880 1.00 46.99 O ATOM 0 H LYS A 56 -3.675 9.231 18.894 1.00 73.91 H new ATOM 421 N SER A 57 -2.870 11.320 21.172 1.00 26.31 N ATOM 422 CA SER A 57 -2.673 12.344 22.206 1.00 24.93 C ATOM 423 C SER A 57 -1.606 11.893 23.222 1.00 27.96 C ATOM 424 O SER A 57 -1.325 12.573 24.209 1.00 62.32 O ATOM 425 CB SER A 57 -4.001 12.619 22.942 1.00 41.07 C ATOM 426 OG SER A 57 -4.369 11.529 23.780 1.00 80.00 O ATOM 0 H SER A 57 -3.322 10.610 21.348 1.00 26.31 H new ATOM 0 HA SER A 57 -2.370 13.157 21.773 1.00 24.93 H new ATOM 0 HB2 SER A 57 -3.916 13.424 23.476 1.00 41.07 H new ATOM 0 HB3 SER A 57 -4.704 12.782 22.294 1.00 41.07 H new ATOM 0 HG SER A 57 -5.093 11.706 24.168 1.00 80.00 H new ATOM 427 N SER A 58 -0.971 10.747 23.004 1.00 48.40 N ATOM 428 CA SER A 58 0.055 10.291 23.970 1.00 23.99 C ATOM 429 C SER A 58 1.408 10.951 23.687 1.00 80.00 C ATOM 430 O SER A 58 2.028 10.729 22.638 1.00 31.09 O ATOM 431 CB SER A 58 0.250 8.779 23.943 1.00 56.28 C ATOM 432 OG SER A 58 1.278 8.425 24.867 1.00 39.32 O ATOM 0 H SER A 58 -1.104 10.227 22.332 1.00 48.40 H new ATOM 0 HA SER A 58 -0.271 10.550 24.846 1.00 23.99 H new ATOM 0 HB2 SER A 58 -0.578 8.330 24.176 1.00 56.28 H new ATOM 0 HB3 SER A 58 0.489 8.488 23.049 1.00 56.28 H new ATOM 0 HG SER A 58 1.389 7.592 24.857 1.00 39.32 H new ATOM 433 N GLU A 59 1.819 11.473 24.842 1.00 25.91 N ATOM 434 CA GLU A 59 3.128 12.114 24.652 1.00 37.35 C ATOM 435 C GLU A 59 4.244 11.092 24.902 1.00 21.22 C ATOM 436 O GLU A 59 5.382 11.253 24.436 1.00 49.46 O ATOM 437 CB GLU A 59 3.266 13.292 25.620 1.00 37.79 C ATOM 0 H GLU A 59 1.442 11.478 25.615 1.00 25.91 H new ATOM 0 HA GLU A 59 3.200 12.442 23.742 1.00 37.35 H new ATOM 438 N GLU A 60 3.867 9.886 25.448 1.00 29.02 N ATOM 439 CA GLU A 60 4.795 8.746 25.495 1.00 21.37 C ATOM 440 C GLU A 60 5.057 8.226 24.077 1.00 20.67 C ATOM 441 O GLU A 60 6.203 7.922 23.713 1.00 24.90 O ATOM 442 CB GLU A 60 4.186 7.595 26.312 1.00 44.67 C ATOM 443 CG GLU A 60 4.819 7.338 27.706 1.00 80.00 C ATOM 444 CD GLU A 60 6.209 7.954 27.967 1.00 80.00 C ATOM 445 OE1 GLU A 60 7.286 7.304 27.666 1.00 78.92 O ATOM 446 OE2 GLU A 60 6.303 9.117 28.524 1.00 52.00 O ATOM 0 H GLU A 60 3.091 9.730 25.784 1.00 29.02 H new ATOM 0 HA GLU A 60 5.621 9.048 25.905 1.00 21.37 H new ATOM 0 HB2 GLU A 60 3.241 7.774 26.434 1.00 44.67 H new ATOM 0 HB3 GLU A 60 4.255 6.780 25.790 1.00 44.67 H new ATOM 0 HG2 GLU A 60 4.209 7.674 28.381 1.00 80.00 H new ATOM 0 HG3 GLU A 60 4.885 6.379 27.835 1.00 80.00 H new ATOM 447 N VAL A 61 3.970 8.147 23.316 1.00 13.88 N ATOM 448 CA VAL A 61 4.004 7.652 21.929 1.00 23.97 C ATOM 449 C VAL A 61 4.910 8.539 21.053 1.00 40.67 C ATOM 450 O VAL A 61 5.694 8.033 20.242 1.00 31.93 O ATOM 451 CB VAL A 61 2.598 7.604 21.327 1.00 16.12 C ATOM 452 CG1 VAL A 61 2.618 7.443 19.803 1.00 16.59 C ATOM 453 CG2 VAL A 61 1.763 6.434 21.859 1.00 10.50 C ATOM 0 H VAL A 61 3.186 8.378 23.584 1.00 13.88 H new ATOM 0 HA VAL A 61 4.366 6.752 21.950 1.00 23.97 H new ATOM 0 HB VAL A 61 2.205 8.453 21.584 1.00 16.12 H new ATOM 0 HG11 VAL A 61 1.708 7.418 19.468 1.00 16.59 H new ATOM 0 HG12 VAL A 61 3.088 8.192 19.404 1.00 16.59 H new ATOM 0 HG13 VAL A 61 3.071 6.617 19.571 1.00 16.59 H new ATOM 0 HG21 VAL A 61 0.885 6.450 21.448 1.00 10.50 H new ATOM 0 HG22 VAL A 61 2.205 5.597 21.645 1.00 10.50 H new ATOM 0 HG23 VAL A 61 1.670 6.514 22.821 1.00 10.50 H new ATOM 454 N LYS A 62 4.805 9.890 21.208 1.00 33.82 N ATOM 455 CA LYS A 62 5.653 10.842 20.474 1.00 27.56 C ATOM 456 C LYS A 62 7.111 10.694 20.909 1.00 18.74 C ATOM 457 O LYS A 62 8.027 10.689 20.074 1.00 19.96 O ATOM 458 CB LYS A 62 5.211 12.277 20.763 1.00 29.65 C ATOM 459 CG LYS A 62 5.661 13.291 19.702 1.00 34.14 C ATOM 460 CD LYS A 62 4.694 14.473 19.594 1.00 48.13 C ATOM 461 CE LYS A 62 5.173 15.590 18.668 1.00 80.00 C ATOM 0 H LYS A 62 4.241 10.263 21.740 1.00 33.82 H new ATOM 0 HA LYS A 62 5.567 10.652 19.527 1.00 27.56 H new ATOM 0 HB2 LYS A 62 4.244 12.301 20.831 1.00 29.65 H new ATOM 0 HB3 LYS A 62 5.563 12.547 21.626 1.00 29.65 H new ATOM 0 HG2 LYS A 62 6.547 13.618 19.923 1.00 34.14 H new ATOM 0 HG3 LYS A 62 5.728 12.849 18.841 1.00 34.14 H new ATOM 0 HD2 LYS A 62 3.837 14.149 19.277 1.00 48.13 H new ATOM 0 HD3 LYS A 62 4.548 14.841 20.480 1.00 48.13 H new ATOM 462 N LYS A 63 7.288 10.578 22.223 1.00 12.16 N ATOM 463 CA LYS A 63 8.631 10.444 22.824 1.00 27.36 C ATOM 464 C LYS A 63 9.293 9.151 22.319 1.00 29.42 C ATOM 465 O LYS A 63 10.482 9.129 21.974 1.00 12.43 O ATOM 466 CB LYS A 63 8.563 10.501 24.380 1.00 20.10 C ATOM 467 CG LYS A 63 8.620 11.965 24.881 1.00 34.20 C ATOM 468 CD LYS A 63 9.023 12.235 26.351 1.00 20.00 C ATOM 0 H LYS A 63 6.644 10.574 22.793 1.00 12.16 H new ATOM 0 HA LYS A 63 9.180 11.194 22.547 1.00 27.36 H new ATOM 0 HB2 LYS A 63 7.744 10.081 24.688 1.00 20.10 H new ATOM 0 HB3 LYS A 63 9.300 9.996 24.759 1.00 20.10 H new ATOM 0 HG2 LYS A 63 9.242 12.446 24.313 1.00 34.20 H new ATOM 0 HG3 LYS A 63 7.745 12.358 24.740 1.00 34.20 H new ATOM 469 N HIS A 64 8.521 8.080 22.253 1.00 27.58 N ATOM 470 CA HIS A 64 9.066 6.791 21.807 1.00 6.40 C ATOM 471 C HIS A 64 9.306 6.790 20.292 1.00 8.57 C ATOM 472 O HIS A 64 10.355 6.318 19.811 1.00 18.90 O ATOM 473 CB HIS A 64 8.138 5.631 22.148 1.00 17.95 C ATOM 474 CG HIS A 64 8.746 4.326 21.667 1.00 24.20 C ATOM 475 ND1 HIS A 64 9.816 3.735 22.327 1.00 31.05 N ATOM 476 CD2 HIS A 64 8.457 3.537 20.606 1.00 5.97 C ATOM 477 CE1 HIS A 64 10.146 2.644 21.664 1.00 8.04 C ATOM 478 NE2 HIS A 64 9.347 2.512 20.633 1.00 36.48 N ATOM 0 H HIS A 64 7.686 8.069 22.458 1.00 27.58 H new ATOM 0 HA HIS A 64 9.906 6.673 22.277 1.00 6.40 H new ATOM 0 HB2 HIS A 64 7.991 5.595 23.106 1.00 17.95 H new ATOM 0 HB3 HIS A 64 7.272 5.766 21.733 1.00 17.95 H new ATOM 0 HD1 HIS A 64 10.196 4.028 23.041 1.00 31.05 H new ATOM 0 HD2 HIS A 64 7.781 3.671 19.981 1.00 5.97 H new ATOM 0 HE1 HIS A 64 10.835 2.062 21.891 1.00 8.04 H new ATOM 479 N GLY A 65 8.457 7.407 19.514 1.00 25.25 N ATOM 480 CA GLY A 65 8.660 7.538 18.087 1.00 17.08 C ATOM 481 C GLY A 65 9.931 8.300 17.816 1.00 28.17 C ATOM 482 O GLY A 65 10.652 7.883 16.910 1.00 8.78 O ATOM 0 H GLY A 65 7.731 7.771 19.798 1.00 25.25 H new ATOM 0 HA2 GLY A 65 8.707 6.660 17.677 1.00 17.08 H new ATOM 0 HA3 GLY A 65 7.906 7.998 17.686 1.00 17.08 H new ATOM 483 N THR A 66 10.161 9.406 18.574 1.00 7.83 N ATOM 484 CA THR A 66 11.370 10.245 18.473 1.00 12.70 C ATOM 485 C THR A 66 12.628 9.424 18.778 1.00 14.18 C ATOM 486 O THR A 66 13.695 9.509 18.118 1.00 15.83 O ATOM 487 CB THR A 66 11.222 11.436 19.454 1.00 14.29 C ATOM 488 OG1 THR A 66 10.014 12.122 19.139 1.00 11.14 O ATOM 489 CG2 THR A 66 12.385 12.422 19.358 1.00 19.79 C ATOM 0 H THR A 66 9.604 9.685 19.167 1.00 7.83 H new ATOM 0 HA THR A 66 11.465 10.583 17.569 1.00 12.70 H new ATOM 0 HB THR A 66 11.213 11.083 20.357 1.00 14.29 H new ATOM 0 HG1 THR A 66 9.365 11.726 19.497 1.00 11.14 H new ATOM 0 HG21 THR A 66 12.248 13.147 19.988 1.00 19.79 H new ATOM 0 HG22 THR A 66 13.215 11.965 19.567 1.00 19.79 H new ATOM 0 HG23 THR A 66 12.432 12.781 18.458 1.00 19.79 H new ATOM 490 N THR A 67 12.496 8.568 19.798 1.00 32.27 N ATOM 491 CA THR A 67 13.591 7.683 20.191 1.00 26.13 C ATOM 492 C THR A 67 13.939 6.658 19.115 1.00 26.44 C ATOM 493 O THR A 67 15.118 6.408 18.880 1.00 8.77 O ATOM 494 CB THR A 67 13.270 6.992 21.518 1.00 23.72 C ATOM 495 OG1 THR A 67 13.579 7.917 22.516 1.00 43.40 O ATOM 496 CG2 THR A 67 14.146 5.759 21.703 1.00 18.86 C ATOM 0 H THR A 67 11.782 8.487 20.271 1.00 32.27 H new ATOM 0 HA THR A 67 14.377 8.240 20.306 1.00 26.13 H new ATOM 0 HB THR A 67 12.342 6.710 21.546 1.00 23.72 H new ATOM 0 HG1 THR A 67 13.417 7.582 23.269 1.00 43.40 H new ATOM 0 HG21 THR A 67 13.931 5.333 22.547 1.00 18.86 H new ATOM 0 HG22 THR A 67 13.986 5.136 20.977 1.00 18.86 H new ATOM 0 HG23 THR A 67 15.080 6.022 21.703 1.00 18.86 H new ATOM 497 N VAL A 68 12.901 6.093 18.455 1.00 24.43 N ATOM 498 CA VAL A 68 13.050 5.126 17.383 1.00 8.21 C ATOM 499 C VAL A 68 13.798 5.797 16.232 1.00 11.15 C ATOM 500 O VAL A 68 14.813 5.265 15.754 1.00 22.11 O ATOM 501 CB VAL A 68 11.667 4.664 16.896 1.00 17.79 C ATOM 502 CG1 VAL A 68 11.761 3.694 15.693 1.00 15.73 C ATOM 503 CG2 VAL A 68 11.051 3.892 18.064 1.00 11.06 C ATOM 0 H VAL A 68 12.080 6.277 18.635 1.00 24.43 H new ATOM 0 HA VAL A 68 13.542 4.353 17.701 1.00 8.21 H new ATOM 0 HB VAL A 68 11.150 5.435 16.615 1.00 17.79 H new ATOM 0 HG11 VAL A 68 10.869 3.429 15.420 1.00 15.73 H new ATOM 0 HG12 VAL A 68 12.207 4.137 14.954 1.00 15.73 H new ATOM 0 HG13 VAL A 68 12.267 2.907 15.950 1.00 15.73 H new ATOM 0 HG21 VAL A 68 10.170 3.574 17.813 1.00 11.06 H new ATOM 0 HG22 VAL A 68 11.616 3.136 18.286 1.00 11.06 H new ATOM 0 HG23 VAL A 68 10.976 4.476 18.835 1.00 11.06 H new ATOM 504 N LEU A 69 13.301 6.976 15.780 1.00 11.46 N ATOM 505 CA LEU A 69 13.976 7.658 14.671 1.00 11.14 C ATOM 506 C LEU A 69 15.385 8.118 14.986 1.00 10.20 C ATOM 507 O LEU A 69 16.268 8.026 14.155 1.00 13.80 O ATOM 508 CB LEU A 69 13.144 8.641 13.862 1.00 5.62 C ATOM 509 CG LEU A 69 11.815 8.110 13.333 1.00 8.16 C ATOM 510 CD1 LEU A 69 11.367 9.272 12.442 1.00 10.97 C ATOM 511 CD2 LEU A 69 12.128 6.904 12.423 1.00 15.18 C ATOM 0 H LEU A 69 12.605 7.374 16.092 1.00 11.46 H new ATOM 0 HA LEU A 69 14.091 6.939 14.030 1.00 11.14 H new ATOM 0 HB2 LEU A 69 12.965 9.418 14.414 1.00 5.62 H new ATOM 0 HB3 LEU A 69 13.675 8.944 13.109 1.00 5.62 H new ATOM 0 HG LEU A 69 11.174 7.843 14.010 1.00 8.16 H new ATOM 0 HD11 LEU A 69 10.513 9.057 12.035 1.00 10.97 H new ATOM 0 HD12 LEU A 69 11.276 10.075 12.978 1.00 10.97 H new ATOM 0 HD13 LEU A 69 12.028 9.421 11.747 1.00 10.97 H new ATOM 0 HD21 LEU A 69 11.301 6.542 12.069 1.00 15.18 H new ATOM 0 HD22 LEU A 69 12.695 7.190 11.690 1.00 15.18 H new ATOM 0 HD23 LEU A 69 12.586 6.221 12.937 1.00 15.18 H new ATOM 512 N THR A 70 15.582 8.560 16.203 1.00 7.62 N ATOM 513 CA THR A 70 16.934 8.998 16.596 1.00 5.77 C ATOM 514 C THR A 70 17.945 7.880 16.446 1.00 10.78 C ATOM 515 O THR A 70 19.015 8.064 15.865 1.00 15.40 O ATOM 516 CB THR A 70 16.882 9.470 18.060 1.00 20.08 C ATOM 517 OG1 THR A 70 16.221 10.698 18.051 1.00 13.51 O ATOM 518 CG2 THR A 70 18.286 9.629 18.622 1.00 16.53 C ATOM 0 H THR A 70 14.979 8.621 16.813 1.00 7.62 H new ATOM 0 HA THR A 70 17.215 9.721 16.014 1.00 5.77 H new ATOM 0 HB THR A 70 16.422 8.825 18.620 1.00 20.08 H new ATOM 0 HG1 THR A 70 15.391 10.570 18.081 1.00 13.51 H new ATOM 0 HG21 THR A 70 18.234 9.927 19.544 1.00 16.53 H new ATOM 0 HG22 THR A 70 18.749 8.777 18.583 1.00 16.53 H new ATOM 0 HG23 THR A 70 18.772 10.285 18.098 1.00 16.53 H new ATOM 519 N ALA A 71 17.644 6.699 16.990 1.00 15.37 N ATOM 520 CA ALA A 71 18.599 5.625 16.826 1.00 12.54 C ATOM 521 C ALA A 71 18.789 5.275 15.344 1.00 20.70 C ATOM 522 O ALA A 71 19.877 4.955 14.869 1.00 15.83 O ATOM 523 CB ALA A 71 18.198 4.393 17.656 1.00 22.26 C ATOM 0 H ALA A 71 16.931 6.512 17.433 1.00 15.37 H new ATOM 0 HA ALA A 71 19.455 5.933 17.162 1.00 12.54 H new ATOM 0 HB1 ALA A 71 18.853 3.689 17.528 1.00 22.26 H new ATOM 0 HB2 ALA A 71 18.161 4.633 18.595 1.00 22.26 H new ATOM 0 HB3 ALA A 71 17.327 4.079 17.369 1.00 22.26 H new ATOM 524 N LEU A 72 17.723 5.331 14.556 1.00 15.58 N ATOM 525 CA LEU A 72 17.822 5.000 13.133 1.00 14.50 C ATOM 526 C LEU A 72 18.819 5.861 12.371 1.00 14.91 C ATOM 527 O LEU A 72 19.711 5.410 11.623 1.00 21.80 O ATOM 528 CB LEU A 72 16.419 4.954 12.482 1.00 13.43 C ATOM 529 CG LEU A 72 16.362 4.528 11.021 1.00 19.45 C ATOM 530 CD1 LEU A 72 16.798 3.081 10.942 1.00 16.37 C ATOM 531 CD2 LEU A 72 14.905 4.582 10.567 1.00 12.37 C ATOM 0 H LEU A 72 16.936 5.556 14.820 1.00 15.58 H new ATOM 0 HA LEU A 72 18.196 4.107 13.074 1.00 14.50 H new ATOM 0 HB2 LEU A 72 15.865 4.347 12.997 1.00 13.43 H new ATOM 0 HB3 LEU A 72 16.020 5.835 12.557 1.00 13.43 H new ATOM 0 HG LEU A 72 16.924 5.101 10.476 1.00 19.45 H new ATOM 0 HD11 LEU A 72 16.770 2.784 10.019 1.00 16.37 H new ATOM 0 HD12 LEU A 72 17.703 2.996 11.281 1.00 16.37 H new ATOM 0 HD13 LEU A 72 16.201 2.533 11.475 1.00 16.37 H new ATOM 0 HD21 LEU A 72 14.846 4.314 9.637 1.00 12.37 H new ATOM 0 HD22 LEU A 72 14.374 3.980 11.111 1.00 12.37 H new ATOM 0 HD23 LEU A 72 14.569 5.487 10.664 1.00 12.37 H new ATOM 532 N GLY A 73 18.693 7.099 12.600 1.00 8.88 N ATOM 533 CA GLY A 73 19.529 8.167 12.033 1.00 6.41 C ATOM 534 C GLY A 73 21.001 7.933 12.392 1.00 19.73 C ATOM 535 O GLY A 73 21.904 8.097 11.566 1.00 18.26 O ATOM 0 H GLY A 73 18.083 7.403 13.125 1.00 8.88 H new ATOM 0 HA2 GLY A 73 19.424 8.192 11.069 1.00 6.41 H new ATOM 0 HA3 GLY A 73 19.239 9.028 12.372 1.00 6.41 H new ATOM 536 N ARG A 74 21.235 7.562 13.642 1.00 14.30 N ATOM 537 CA ARG A 74 22.607 7.300 14.118 1.00 20.60 C ATOM 538 C ARG A 74 23.210 6.150 13.294 1.00 21.01 C ATOM 539 O ARG A 74 24.386 6.178 12.907 1.00 23.60 O ATOM 540 CB ARG A 74 22.608 6.911 15.612 1.00 10.78 C ATOM 541 CG ARG A 74 23.096 8.031 16.569 1.00 36.16 C ATOM 542 CD ARG A 74 23.026 7.632 18.068 1.00 52.33 C ATOM 543 NE ARG A 74 22.301 6.373 18.239 1.00 80.00 N ATOM 544 CZ ARG A 74 21.528 5.954 19.271 1.00 80.00 C ATOM 545 NH1 ARG A 74 21.333 6.657 20.390 1.00 20.00 N ATOM 546 NH2 ARG A 74 20.878 4.771 19.234 1.00 80.00 N ATOM 0 H ARG A 74 20.623 7.454 14.236 1.00 14.30 H new ATOM 0 HA ARG A 74 23.134 8.107 14.011 1.00 20.60 H new ATOM 0 HB2 ARG A 74 21.709 6.652 15.868 1.00 10.78 H new ATOM 0 HB3 ARG A 74 23.172 6.131 15.731 1.00 10.78 H new ATOM 0 HG2 ARG A 74 24.011 8.263 16.345 1.00 36.16 H new ATOM 0 HG3 ARG A 74 22.559 8.826 16.427 1.00 36.16 H new ATOM 0 HD2 ARG A 74 23.923 7.544 18.426 1.00 52.33 H new ATOM 0 HD3 ARG A 74 22.587 8.334 18.573 1.00 52.33 H new ATOM 0 HE ARG A 74 22.376 5.816 17.588 1.00 80.00 H new ATOM 0 HH11 ARG A 74 21.709 7.424 20.487 1.00 20.00 H new ATOM 0 HH12 ARG A 74 20.832 6.342 21.014 1.00 20.00 H new ATOM 0 HH21 ARG A 74 20.949 4.263 18.544 1.00 80.00 H new ATOM 0 HH22 ARG A 74 20.393 4.526 19.901 1.00 80.00 H new ATOM 547 N ILE A 75 22.374 5.156 13.034 1.00 16.44 N ATOM 548 CA ILE A 75 22.794 3.961 12.287 1.00 19.36 C ATOM 549 C ILE A 75 22.897 4.252 10.791 1.00 20.74 C ATOM 550 O ILE A 75 23.793 3.729 10.108 1.00 19.68 O ATOM 551 CB ILE A 75 21.810 2.813 12.485 1.00 13.98 C ATOM 552 CG1 ILE A 75 21.874 2.221 13.894 1.00 10.40 C ATOM 553 CG2 ILE A 75 22.076 1.653 11.520 1.00 26.41 C ATOM 554 CD1 ILE A 75 20.516 1.729 14.398 1.00 13.83 C ATOM 0 H ILE A 75 21.550 5.147 13.281 1.00 16.44 H new ATOM 0 HA ILE A 75 23.665 3.709 12.631 1.00 19.36 H new ATOM 0 HB ILE A 75 20.940 3.209 12.322 1.00 13.98 H new ATOM 0 HG12 ILE A 75 22.503 1.482 13.901 1.00 10.40 H new ATOM 0 HG13 ILE A 75 22.217 2.891 14.506 1.00 10.40 H new ATOM 0 HG21 ILE A 75 21.431 0.946 11.678 1.00 26.41 H new ATOM 0 HG22 ILE A 75 21.994 1.967 10.606 1.00 26.41 H new ATOM 0 HG23 ILE A 75 22.972 1.311 11.664 1.00 26.41 H new ATOM 0 HD11 ILE A 75 20.615 1.365 15.292 1.00 13.83 H new ATOM 0 HD12 ILE A 75 19.890 2.470 14.418 1.00 13.83 H new ATOM 0 HD13 ILE A 75 20.181 1.039 13.804 1.00 13.83 H new ATOM 555 N LEU A 76 21.923 4.969 10.221 1.00 4.61 N ATOM 556 CA LEU A 76 22.000 5.322 8.796 1.00 15.38 C ATOM 557 C LEU A 76 23.298 6.095 8.545 1.00 19.56 C ATOM 558 O LEU A 76 24.010 5.910 7.530 1.00 20.62 O ATOM 559 CB LEU A 76 20.798 6.190 8.354 1.00 21.62 C ATOM 560 CG LEU A 76 19.553 5.303 8.320 1.00 51.46 C ATOM 561 CD1 LEU A 76 18.252 6.000 7.977 1.00 15.76 C ATOM 562 CD2 LEU A 76 19.774 4.122 7.395 1.00 15.58 C ATOM 0 H LEU A 76 21.223 5.256 10.630 1.00 4.61 H new ATOM 0 HA LEU A 76 21.982 4.501 8.279 1.00 15.38 H new ATOM 0 HB2 LEU A 76 20.670 6.929 8.970 1.00 21.62 H new ATOM 0 HB3 LEU A 76 20.963 6.575 7.479 1.00 21.62 H new ATOM 0 HG LEU A 76 19.439 5.009 9.237 1.00 51.46 H new ATOM 0 HD11 LEU A 76 17.528 5.355 7.982 1.00 15.76 H new ATOM 0 HD12 LEU A 76 18.072 6.692 8.633 1.00 15.76 H new ATOM 0 HD13 LEU A 76 18.322 6.401 7.096 1.00 15.76 H new ATOM 0 HD21 LEU A 76 18.978 3.568 7.382 1.00 15.58 H new ATOM 0 HD22 LEU A 76 19.959 4.443 6.498 1.00 15.58 H new ATOM 0 HD23 LEU A 76 20.527 3.599 7.712 1.00 15.58 H new ATOM 563 N LYS A 77 23.649 6.982 9.491 1.00 40.03 N ATOM 564 CA LYS A 77 24.853 7.798 9.359 1.00 16.09 C ATOM 565 C LYS A 77 26.177 7.091 9.336 1.00 15.01 C ATOM 566 O LYS A 77 27.163 7.678 8.891 1.00 23.52 O ATOM 567 CB LYS A 77 24.908 8.966 10.281 1.00 10.68 C ATOM 568 CG LYS A 77 23.882 10.011 9.881 1.00 12.27 C ATOM 569 CD LYS A 77 23.465 10.840 11.092 1.00 29.50 C ATOM 570 CE LYS A 77 22.466 11.972 10.781 1.00 22.23 C ATOM 571 NZ LYS A 77 22.281 12.818 11.971 1.00 28.48 N ATOM 0 H LYS A 77 23.201 7.121 10.212 1.00 40.03 H new ATOM 0 HA LYS A 77 24.729 8.119 8.452 1.00 16.09 H new ATOM 0 HB2 LYS A 77 24.742 8.674 11.191 1.00 10.68 H new ATOM 0 HB3 LYS A 77 25.796 9.355 10.266 1.00 10.68 H new ATOM 0 HG2 LYS A 77 24.252 10.591 9.197 1.00 12.27 H new ATOM 0 HG3 LYS A 77 23.104 9.578 9.495 1.00 12.27 H new ATOM 0 HD2 LYS A 77 23.071 10.250 11.753 1.00 29.50 H new ATOM 0 HD3 LYS A 77 24.259 11.226 11.494 1.00 29.50 H new ATOM 0 HE2 LYS A 77 22.792 12.508 10.041 1.00 22.23 H new ATOM 0 HE3 LYS A 77 21.615 11.597 10.506 1.00 22.23 H new ATOM 0 HZ1 LYS A 77 21.512 13.262 11.903 1.00 28.48 H new ATOM 0 HZ2 LYS A 77 22.265 12.307 12.699 1.00 28.48 H new ATOM 0 HZ3 LYS A 77 22.954 13.398 12.031 1.00 28.48 H new ATOM 572 N GLN A 78 26.195 5.861 9.834 1.00 13.83 N ATOM 573 CA GLN A 78 27.459 5.148 9.840 1.00 22.08 C ATOM 574 C GLN A 78 27.571 4.472 8.488 1.00 20.96 C ATOM 575 O GLN A 78 28.533 3.760 8.192 1.00 14.83 O ATOM 576 CB GLN A 78 27.488 4.101 10.950 1.00 13.28 C ATOM 577 CG GLN A 78 27.911 4.549 12.357 1.00 45.77 C ATOM 0 H GLN A 78 25.520 5.439 10.159 1.00 13.83 H new ATOM 0 HA GLN A 78 28.198 5.756 10.000 1.00 22.08 H new ATOM 0 HB2 GLN A 78 26.601 3.714 11.016 1.00 13.28 H new ATOM 0 HB3 GLN A 78 28.087 3.391 10.672 1.00 13.28 H new ATOM 578 N LYS A 79 26.549 4.724 7.651 1.00 15.80 N ATOM 579 CA LYS A 79 26.546 4.139 6.326 1.00 13.44 C ATOM 580 C LYS A 79 26.683 2.620 6.360 1.00 35.54 C ATOM 581 O LYS A 79 25.933 1.937 7.028 1.00 15.45 O ATOM 582 CB LYS A 79 27.487 4.831 5.330 1.00 25.65 C ATOM 583 CG LYS A 79 27.794 6.293 5.674 1.00 56.98 C ATOM 584 CD LYS A 79 28.135 7.242 4.518 1.00 15.93 C ATOM 585 CE LYS A 79 29.560 7.153 3.977 1.00 80.00 C ATOM 586 NZ LYS A 79 29.696 6.896 2.519 1.00 33.83 N ATOM 0 H LYS A 79 25.871 5.219 7.836 1.00 15.80 H new ATOM 0 HA LYS A 79 25.663 4.316 5.965 1.00 13.44 H new ATOM 0 HB2 LYS A 79 28.320 4.336 5.289 1.00 25.65 H new ATOM 0 HB3 LYS A 79 27.091 4.793 4.445 1.00 25.65 H new ATOM 0 HG2 LYS A 79 27.026 6.657 6.142 1.00 56.98 H new ATOM 0 HG3 LYS A 79 28.537 6.303 6.297 1.00 56.98 H new ATOM 0 HD2 LYS A 79 27.520 7.069 3.788 1.00 15.93 H new ATOM 0 HD3 LYS A 79 27.976 8.152 4.813 1.00 15.93 H new ATOM 0 HE2 LYS A 79 30.017 7.983 4.184 1.00 80.00 H new ATOM 0 HE3 LYS A 79 30.024 6.448 4.455 1.00 80.00 H new ATOM 0 HZ1 LYS A 79 30.541 6.690 2.331 1.00 33.83 H new ATOM 0 HZ2 LYS A 79 29.167 6.219 2.286 1.00 33.83 H new ATOM 0 HZ3 LYS A 79 29.461 7.625 2.066 1.00 33.83 H new ATOM 587 N ASN A 80 27.647 2.038 5.676 1.00 17.63 N ATOM 588 CA ASN A 80 27.724 0.587 5.707 1.00 21.99 C ATOM 589 C ASN A 80 28.331 -0.078 6.944 1.00 40.08 C ATOM 590 O ASN A 80 28.072 -1.220 7.215 1.00 26.50 O ATOM 591 CB ASN A 80 28.558 0.115 4.522 1.00 14.60 C ATOM 592 CG ASN A 80 27.883 0.131 3.185 1.00 18.98 C ATOM 593 OD1 ASN A 80 26.694 -0.232 3.065 1.00 19.83 O ATOM 594 ND2 ASN A 80 28.729 0.365 2.169 1.00 17.57 N ATOM 0 H ASN A 80 28.244 2.440 5.206 1.00 17.63 H new ATOM 0 HA ASN A 80 26.791 0.321 5.697 1.00 21.99 H new ATOM 0 HB2 ASN A 80 29.352 0.670 4.469 1.00 14.60 H new ATOM 0 HB3 ASN A 80 28.856 -0.790 4.701 1.00 14.60 H new ATOM 0 HD21 ASN A 80 28.463 0.267 1.357 1.00 17.57 H new ATOM 0 HD22 ASN A 80 29.536 0.613 2.330 1.00 17.57 H new ATOM 595 N ASN A 81 29.164 0.580 7.700 1.00 15.51 N ATOM 596 CA ASN A 81 29.793 -0.010 8.872 1.00 8.94 C ATOM 597 C ASN A 81 29.135 0.492 10.106 1.00 15.78 C ATOM 598 O ASN A 81 29.642 1.392 10.747 1.00 20.04 O ATOM 599 CB ASN A 81 31.188 0.577 8.874 1.00 12.71 C ATOM 600 CG ASN A 81 31.814 0.362 7.522 1.00 36.43 C ATOM 601 OD1 ASN A 81 31.864 1.271 6.700 1.00 30.76 O ATOM 602 ND2 ASN A 81 32.273 -0.860 7.289 1.00 33.25 N ATOM 0 H ASN A 81 29.392 1.396 7.555 1.00 15.51 H new ATOM 0 HA ASN A 81 29.753 -0.979 8.849 1.00 8.94 H new ATOM 0 HB2 ASN A 81 31.152 1.524 9.080 1.00 12.71 H new ATOM 0 HB3 ASN A 81 31.727 0.157 9.563 1.00 12.71 H new ATOM 0 HD21 ASN A 81 32.629 -1.048 6.529 1.00 33.25 H new ATOM 0 HD22 ASN A 81 32.215 -1.464 7.898 1.00 33.25 H new ATOM 603 N HIS A 82 28.091 -0.173 10.498 1.00 15.00 N ATOM 604 CA HIS A 82 27.268 0.385 11.580 1.00 10.96 C ATOM 605 C HIS A 82 27.101 -0.631 12.717 1.00 24.12 C ATOM 606 O HIS A 82 26.152 -0.545 13.508 1.00 16.15 O ATOM 607 CB HIS A 82 25.867 0.721 11.057 1.00 10.80 C ATOM 608 CG HIS A 82 25.207 -0.439 10.295 1.00 22.13 C ATOM 609 ND1 HIS A 82 24.308 -0.215 9.256 1.00 15.14 N ATOM 610 CD2 HIS A 82 25.310 -1.794 10.416 1.00 29.45 C ATOM 611 CE1 HIS A 82 23.906 -1.386 8.795 1.00 30.90 C ATOM 612 NE2 HIS A 82 24.493 -2.338 9.475 1.00 16.37 N ATOM 0 H HIS A 82 27.829 -0.927 10.177 1.00 15.00 H new ATOM 0 HA HIS A 82 27.716 1.181 11.905 1.00 10.96 H new ATOM 0 HB2 HIS A 82 25.302 0.972 11.804 1.00 10.80 H new ATOM 0 HB3 HIS A 82 25.924 1.493 10.472 1.00 10.80 H new ATOM 0 HD2 HIS A 82 25.838 -2.257 11.026 1.00 29.45 H new ATOM 0 HE1 HIS A 82 23.303 -1.513 8.099 1.00 30.90 H new ATOM 0 HE2 HIS A 82 24.379 -3.181 9.346 1.00 16.37 H new ATOM 613 N GLU A 83 28.132 -1.531 12.864 1.00 31.54 N ATOM 614 CA GLU A 83 27.956 -2.685 13.757 1.00 14.41 C ATOM 615 C GLU A 83 27.881 -2.234 15.217 1.00 36.07 C ATOM 616 O GLU A 83 27.038 -2.699 15.991 1.00 30.50 O ATOM 617 CB GLU A 83 29.134 -3.654 13.624 1.00 46.95 C ATOM 618 CG GLU A 83 28.865 -4.793 12.635 1.00 20.00 C ATOM 0 H GLU A 83 28.895 -1.480 12.470 1.00 31.54 H new ATOM 0 HA GLU A 83 27.130 -3.125 13.501 1.00 14.41 H new ATOM 0 HB2 GLU A 83 29.920 -3.162 13.337 1.00 46.95 H new ATOM 0 HB3 GLU A 83 29.337 -4.030 14.495 1.00 46.95 H new ATOM 619 N GLN A 84 28.760 -1.326 15.604 1.00 16.72 N ATOM 620 CA GLN A 84 28.773 -0.872 17.000 1.00 21.47 C ATOM 621 C GLN A 84 27.458 -0.138 17.334 1.00 14.36 C ATOM 622 O GLN A 84 27.068 -0.008 18.495 1.00 34.96 O ATOM 623 CB GLN A 84 29.986 0.022 17.307 1.00 26.76 C ATOM 0 H GLN A 84 29.349 -0.962 15.094 1.00 16.72 H new ATOM 0 HA GLN A 84 28.849 -1.659 17.562 1.00 21.47 H new ATOM 624 N GLU A 85 26.732 0.337 16.329 1.00 28.84 N ATOM 625 CA GLU A 85 25.457 1.033 16.611 1.00 11.55 C ATOM 626 C GLU A 85 24.297 0.037 16.662 1.00 22.99 C ATOM 627 O GLU A 85 23.406 0.152 17.519 1.00 33.21 O ATOM 628 CB GLU A 85 25.149 2.098 15.564 1.00 53.91 C ATOM 629 CG GLU A 85 25.783 3.455 15.893 1.00 23.17 C ATOM 630 CD GLU A 85 25.156 4.165 17.102 1.00 50.63 C ATOM 631 OE1 GLU A 85 23.915 3.977 17.396 1.00 54.61 O ATOM 632 OE2 GLU A 85 25.876 4.958 17.824 1.00 48.33 O ATOM 0 H GLU A 85 26.942 0.275 15.497 1.00 28.84 H new ATOM 0 HA GLU A 85 25.558 1.465 17.473 1.00 11.55 H new ATOM 0 HB2 GLU A 85 25.469 1.797 14.699 1.00 53.91 H new ATOM 0 HB3 GLU A 85 24.188 2.204 15.490 1.00 53.91 H new ATOM 0 HG2 GLU A 85 26.730 3.326 16.061 1.00 23.17 H new ATOM 0 HG3 GLU A 85 25.709 4.032 15.117 1.00 23.17 H new ATOM 633 N LEU A 86 24.332 -1.043 15.951 1.00 28.81 N ATOM 634 CA LEU A 86 23.282 -2.057 15.772 1.00 36.10 C ATOM 635 C LEU A 86 23.226 -3.008 16.976 1.00 23.97 C ATOM 636 O LEU A 86 22.159 -3.227 17.566 1.00 21.45 O ATOM 637 CB LEU A 86 23.572 -2.910 14.540 1.00 47.93 C ATOM 638 CG LEU A 86 22.656 -2.585 13.367 1.00 39.41 C ATOM 639 CD1 LEU A 86 22.602 -3.704 12.328 1.00 31.96 C ATOM 640 CD2 LEU A 86 21.211 -2.340 13.798 1.00 27.93 C ATOM 0 H LEU A 86 25.037 -1.245 15.503 1.00 28.81 H new ATOM 0 HA LEU A 86 22.441 -1.583 15.676 1.00 36.10 H new ATOM 0 HB2 LEU A 86 24.494 -2.778 14.271 1.00 47.93 H new ATOM 0 HB3 LEU A 86 23.475 -3.847 14.771 1.00 47.93 H new ATOM 0 HG LEU A 86 23.045 -1.782 12.986 1.00 39.41 H new ATOM 0 HD11 LEU A 86 22.007 -3.447 11.606 1.00 31.96 H new ATOM 0 HD12 LEU A 86 23.491 -3.860 11.974 1.00 31.96 H new ATOM 0 HD13 LEU A 86 22.273 -4.516 12.744 1.00 31.96 H new ATOM 0 HD21 LEU A 86 20.670 -2.138 13.018 1.00 27.93 H new ATOM 0 HD22 LEU A 86 20.864 -3.134 14.234 1.00 27.93 H new ATOM 0 HD23 LEU A 86 21.180 -1.592 14.415 1.00 27.93 H new ATOM 641 N LYS A 87 24.389 -3.545 17.289 1.00 28.17 N ATOM 642 CA LYS A 87 24.575 -4.534 18.371 1.00 37.22 C ATOM 643 C LYS A 87 23.616 -4.304 19.546 1.00 26.91 C ATOM 644 O LYS A 87 22.771 -5.156 19.862 1.00 18.17 O ATOM 645 CB LYS A 87 26.001 -4.473 18.906 1.00 20.25 C ATOM 0 H LYS A 87 25.118 -3.349 16.877 1.00 28.17 H new ATOM 0 HA LYS A 87 24.388 -5.403 17.982 1.00 37.22 H new ATOM 646 N PRO A 88 23.703 -3.188 20.279 1.00 18.90 N ATOM 647 CA PRO A 88 22.794 -2.941 21.381 1.00 11.17 C ATOM 648 C PRO A 88 21.367 -2.911 20.914 1.00 20.95 C ATOM 649 O PRO A 88 20.462 -3.296 21.724 1.00 25.53 O ATOM 650 CB PRO A 88 23.238 -1.616 21.938 1.00 23.63 C ATOM 651 CG PRO A 88 24.433 -1.152 21.128 1.00 10.35 C ATOM 652 CD PRO A 88 24.705 -2.152 20.045 1.00 27.93 C ATOM 0 HA PRO A 88 22.821 -3.641 22.052 1.00 11.17 H new ATOM 0 HB2 PRO A 88 22.519 -0.967 21.886 1.00 23.63 H new ATOM 0 HB3 PRO A 88 23.475 -1.703 22.875 1.00 23.63 H new ATOM 0 HG2 PRO A 88 24.258 -0.279 20.742 1.00 10.35 H new ATOM 0 HG3 PRO A 88 25.210 -1.058 21.701 1.00 10.35 H new ATOM 0 HD2 PRO A 88 24.612 -1.758 19.163 1.00 27.93 H new ATOM 0 HD3 PRO A 88 25.606 -2.506 20.104 1.00 27.93 H new ATOM 653 N LEU A 89 21.058 -2.556 19.708 1.00 15.85 N ATOM 654 CA LEU A 89 19.662 -2.534 19.268 1.00 12.44 C ATOM 655 C LEU A 89 19.109 -3.967 19.080 1.00 19.07 C ATOM 656 O LEU A 89 17.983 -4.377 19.468 1.00 10.20 O ATOM 657 CB LEU A 89 19.601 -1.689 17.973 1.00 14.31 C ATOM 658 CG LEU A 89 18.201 -1.151 17.727 1.00 25.35 C ATOM 659 CD1 LEU A 89 17.854 -0.056 18.734 1.00 32.25 C ATOM 660 CD2 LEU A 89 18.264 -0.597 16.330 1.00 9.58 C ATOM 0 H LEU A 89 21.629 -2.319 19.110 1.00 15.85 H new ATOM 0 HA LEU A 89 19.092 -2.130 19.941 1.00 12.44 H new ATOM 0 HB2 LEU A 89 20.226 -0.950 18.037 1.00 14.31 H new ATOM 0 HB3 LEU A 89 19.878 -2.231 17.218 1.00 14.31 H new ATOM 0 HG LEU A 89 17.517 -1.831 17.827 1.00 25.35 H new ATOM 0 HD11 LEU A 89 16.958 0.273 18.559 1.00 32.25 H new ATOM 0 HD12 LEU A 89 17.896 -0.418 19.633 1.00 32.25 H new ATOM 0 HD13 LEU A 89 18.488 0.674 18.650 1.00 32.25 H new ATOM 0 HD21 LEU A 89 17.400 -0.228 16.089 1.00 9.58 H new ATOM 0 HD22 LEU A 89 18.936 0.101 16.289 1.00 9.58 H new ATOM 0 HD23 LEU A 89 18.497 -1.306 15.711 1.00 9.58 H new ATOM 661 N ALA A 90 19.966 -4.762 18.468 1.00 13.63 N ATOM 662 CA ALA A 90 19.736 -6.167 18.184 1.00 20.10 C ATOM 663 C ALA A 90 19.598 -6.909 19.501 1.00 20.70 C ATOM 664 O ALA A 90 18.656 -7.689 19.738 1.00 20.51 O ATOM 665 CB ALA A 90 20.926 -6.685 17.416 1.00 18.44 C ATOM 0 H ALA A 90 20.733 -4.487 18.194 1.00 13.63 H new ATOM 0 HA ALA A 90 18.929 -6.295 17.662 1.00 20.10 H new ATOM 0 HB1 ALA A 90 20.797 -7.625 17.213 1.00 18.44 H new ATOM 0 HB2 ALA A 90 21.020 -6.186 16.589 1.00 18.44 H new ATOM 0 HB3 ALA A 90 21.728 -6.578 17.951 1.00 18.44 H new ATOM 666 N GLU A 91 20.520 -6.654 20.401 1.00 11.99 N ATOM 667 CA GLU A 91 20.403 -7.333 21.709 1.00 4.65 C ATOM 668 C GLU A 91 19.066 -7.127 22.415 1.00 23.85 C ATOM 669 O GLU A 91 18.447 -8.075 22.907 1.00 23.15 O ATOM 670 CB GLU A 91 21.353 -6.622 22.667 1.00 12.95 C ATOM 671 CG GLU A 91 22.497 -7.520 23.073 1.00 62.12 C ATOM 672 CD GLU A 91 23.014 -7.030 24.366 1.00 47.04 C ATOM 673 OE1 GLU A 91 22.171 -6.670 25.224 1.00 43.55 O ATOM 674 OE2 GLU A 91 24.257 -6.934 24.489 1.00 32.21 O ATOM 0 H GLU A 91 21.192 -6.126 20.303 1.00 11.99 H new ATOM 0 HA GLU A 91 20.557 -8.273 21.526 1.00 4.65 H new ATOM 0 HB2 GLU A 91 21.702 -5.821 22.245 1.00 12.95 H new ATOM 0 HB3 GLU A 91 20.866 -6.338 23.456 1.00 12.95 H new ATOM 0 HG2 GLU A 91 22.197 -8.439 23.153 1.00 62.12 H new ATOM 0 HG3 GLU A 91 23.195 -7.507 22.400 1.00 62.12 H new ATOM 675 N SER A 92 18.621 -5.872 22.500 1.00 13.34 N ATOM 676 CA SER A 92 17.351 -5.609 23.225 1.00 11.71 C ATOM 677 C SER A 92 16.123 -6.039 22.502 1.00 23.59 C ATOM 678 O SER A 92 15.166 -6.535 23.096 1.00 29.96 O ATOM 679 CB SER A 92 17.263 -4.151 23.630 1.00 20.74 C ATOM 680 OG SER A 92 17.315 -3.364 22.452 1.00 28.69 O ATOM 0 H SER A 92 19.010 -5.182 22.166 1.00 13.34 H new ATOM 0 HA SER A 92 17.383 -6.166 24.018 1.00 11.71 H new ATOM 0 HB2 SER A 92 16.439 -3.983 24.114 1.00 20.74 H new ATOM 0 HB3 SER A 92 17.994 -3.920 24.225 1.00 20.74 H new ATOM 0 HG SER A 92 17.314 -2.550 22.658 1.00 28.69 H new ATOM 681 N HIS A 93 16.155 -5.850 21.189 1.00 9.28 N ATOM 682 CA HIS A 93 15.010 -6.272 20.417 1.00 17.84 C ATOM 683 C HIS A 93 14.857 -7.822 20.414 1.00 21.31 C ATOM 684 O HIS A 93 13.734 -8.403 20.354 1.00 19.12 O ATOM 685 CB HIS A 93 14.970 -5.560 19.051 1.00 16.97 C ATOM 686 CG HIS A 93 14.676 -4.118 19.313 1.00 21.02 C ATOM 687 ND1 HIS A 93 15.588 -3.316 19.995 1.00 24.97 N ATOM 688 CD2 HIS A 93 13.563 -3.396 19.062 1.00 17.27 C ATOM 689 CE1 HIS A 93 15.019 -2.138 20.122 1.00 18.44 C ATOM 690 NE2 HIS A 93 13.791 -2.148 19.570 1.00 14.72 N ATOM 0 H HIS A 93 16.801 -5.495 20.746 1.00 9.28 H new ATOM 0 HA HIS A 93 14.193 -5.978 20.849 1.00 17.84 H new ATOM 0 HB2 HIS A 93 15.817 -5.658 18.589 1.00 16.97 H new ATOM 0 HB3 HIS A 93 14.289 -5.950 18.481 1.00 16.97 H new ATOM 0 HD1 HIS A 93 16.367 -3.546 20.277 1.00 24.97 H new ATOM 0 HD2 HIS A 93 12.794 -3.690 18.629 1.00 17.27 H new ATOM 0 HE1 HIS A 93 15.409 -1.402 20.535 1.00 18.44 H new ATOM 691 N ALA A 94 15.992 -8.502 20.520 1.00 15.67 N ATOM 692 CA ALA A 94 16.024 -9.987 20.553 1.00 12.46 C ATOM 693 C ALA A 94 15.810 -10.558 21.949 1.00 17.51 C ATOM 694 O ALA A 94 14.929 -11.390 22.149 1.00 23.18 O ATOM 695 CB ALA A 94 17.363 -10.536 20.041 1.00 15.71 C ATOM 0 H ALA A 94 16.766 -8.132 20.575 1.00 15.67 H new ATOM 0 HA ALA A 94 15.294 -10.262 19.977 1.00 12.46 H new ATOM 0 HB1 ALA A 94 17.350 -11.505 20.076 1.00 15.71 H new ATOM 0 HB2 ALA A 94 17.502 -10.248 19.125 1.00 15.71 H new ATOM 0 HB3 ALA A 94 18.084 -10.202 20.598 1.00 15.71 H new ATOM 696 N THR A 95 16.654 -9.939 22.965 1.00 20.55 N ATOM 697 CA THR A 95 16.577 -10.695 24.222 1.00 13.88 C ATOM 698 C THR A 95 15.503 -10.131 25.144 1.00 23.38 C ATOM 699 O THR A 95 15.013 -10.819 26.042 1.00 19.75 O ATOM 700 CB THR A 95 17.892 -10.607 25.001 1.00 19.17 C ATOM 701 OG1 THR A 95 18.069 -9.296 25.520 1.00 18.88 O ATOM 702 CG2 THR A 95 19.113 -10.942 24.150 1.00 17.44 C ATOM 0 H THR A 95 17.151 -9.239 22.916 1.00 20.55 H new ATOM 0 HA THR A 95 16.376 -11.610 23.971 1.00 13.88 H new ATOM 0 HB THR A 95 17.825 -11.262 25.713 1.00 19.17 H new ATOM 0 HG1 THR A 95 18.201 -8.759 24.887 1.00 18.88 H new ATOM 0 HG21 THR A 95 19.915 -10.871 24.692 1.00 17.44 H new ATOM 0 HG22 THR A 95 19.032 -11.847 23.810 1.00 17.44 H new ATOM 0 HG23 THR A 95 19.169 -10.322 23.406 1.00 17.44 H new ATOM 703 N LYS A 96 15.138 -8.892 24.920 1.00 24.82 N ATOM 704 CA LYS A 96 14.170 -8.232 25.798 1.00 15.27 C ATOM 705 C LYS A 96 12.772 -8.135 25.196 1.00 16.65 C ATOM 706 O LYS A 96 11.831 -8.792 25.640 1.00 24.41 O ATOM 707 CB LYS A 96 14.609 -6.817 26.090 1.00 17.66 C ATOM 708 CG LYS A 96 15.717 -6.738 27.128 1.00 34.32 C ATOM 709 CD LYS A 96 15.461 -5.628 28.136 1.00 38.00 C ATOM 0 H LYS A 96 15.430 -8.407 24.272 1.00 24.82 H new ATOM 0 HA LYS A 96 14.135 -8.781 26.597 1.00 15.27 H new ATOM 0 HB2 LYS A 96 14.914 -6.403 25.268 1.00 17.66 H new ATOM 0 HB3 LYS A 96 13.846 -6.305 26.400 1.00 17.66 H new ATOM 0 HG2 LYS A 96 15.788 -7.587 27.592 1.00 34.32 H new ATOM 0 HG3 LYS A 96 16.566 -6.584 26.685 1.00 34.32 H new ATOM 710 N HIS A 97 12.636 -7.295 24.198 1.00 25.11 N ATOM 711 CA HIS A 97 11.315 -7.044 23.609 1.00 15.72 C ATOM 712 C HIS A 97 10.846 -8.203 22.745 1.00 70.40 C ATOM 713 O HIS A 97 9.631 -8.391 22.568 1.00 16.79 O ATOM 714 CB HIS A 97 11.342 -5.783 22.774 1.00 31.18 C ATOM 715 CG HIS A 97 12.208 -4.715 23.405 1.00 18.10 C ATOM 716 ND1 HIS A 97 11.947 -4.218 24.676 1.00 20.96 N ATOM 717 CD2 HIS A 97 13.304 -4.074 22.948 1.00 6.67 C ATOM 718 CE1 HIS A 97 12.866 -3.314 24.950 1.00 18.90 C ATOM 719 NE2 HIS A 97 13.684 -3.215 23.929 1.00 13.33 N ATOM 0 H HIS A 97 13.282 -6.856 23.839 1.00 25.11 H new ATOM 0 HA HIS A 97 10.692 -6.942 24.345 1.00 15.72 H new ATOM 0 HB2 HIS A 97 11.676 -5.989 21.887 1.00 31.18 H new ATOM 0 HB3 HIS A 97 10.439 -5.446 22.666 1.00 31.18 H new ATOM 0 HD2 HIS A 97 13.717 -4.196 22.124 1.00 6.67 H new ATOM 0 HE1 HIS A 97 12.925 -2.825 25.739 1.00 18.90 H new ATOM 0 HE2 HIS A 97 14.360 -2.685 23.887 1.00 13.33 H new ATOM 720 N LYS A 98 11.741 -8.969 22.207 1.00 9.54 N ATOM 721 CA LYS A 98 11.428 -10.128 21.374 1.00 15.43 C ATOM 722 C LYS A 98 10.642 -9.790 20.147 1.00 33.18 C ATOM 723 O LYS A 98 9.539 -10.265 19.971 1.00 20.46 O ATOM 724 CB LYS A 98 10.738 -11.189 22.214 1.00 28.81 C ATOM 725 CG LYS A 98 11.625 -11.574 23.394 1.00 24.04 C ATOM 0 H LYS A 98 12.585 -8.841 22.308 1.00 9.54 H new ATOM 0 HA LYS A 98 12.268 -10.480 21.042 1.00 15.43 H new ATOM 0 HB2 LYS A 98 9.886 -10.855 22.535 1.00 28.81 H new ATOM 0 HB3 LYS A 98 10.550 -11.971 21.672 1.00 28.81 H new ATOM 726 N ILE A 99 11.235 -8.955 19.309 1.00 13.95 N ATOM 727 CA ILE A 99 10.594 -8.507 18.087 1.00 17.29 C ATOM 728 C ILE A 99 11.016 -9.253 16.806 1.00 28.03 C ATOM 729 O ILE A 99 12.183 -9.217 16.334 1.00 24.27 O ATOM 730 CB ILE A 99 10.814 -6.972 18.029 1.00 13.60 C ATOM 731 CG1 ILE A 99 9.822 -6.387 19.030 1.00 14.78 C ATOM 732 CG2 ILE A 99 10.404 -6.386 16.652 1.00 12.18 C ATOM 733 CD1 ILE A 99 10.448 -5.798 20.232 1.00 18.89 C ATOM 0 H ILE A 99 12.022 -8.632 19.434 1.00 13.95 H new ATOM 0 HA ILE A 99 9.649 -8.723 18.116 1.00 17.29 H new ATOM 0 HB ILE A 99 11.747 -6.770 18.200 1.00 13.60 H new ATOM 0 HG12 ILE A 99 9.294 -5.705 18.586 1.00 14.78 H new ATOM 0 HG13 ILE A 99 9.208 -7.085 19.307 1.00 14.78 H new ATOM 0 HG21 ILE A 99 10.554 -5.428 16.650 1.00 12.18 H new ATOM 0 HG22 ILE A 99 10.937 -6.797 15.953 1.00 12.18 H new ATOM 0 HG23 ILE A 99 9.465 -6.566 16.490 1.00 12.18 H new ATOM 0 HD11 ILE A 99 9.758 -5.449 20.818 1.00 18.89 H new ATOM 0 HD12 ILE A 99 10.955 -6.480 20.700 1.00 18.89 H new ATOM 0 HD13 ILE A 99 11.042 -5.078 19.968 1.00 18.89 H new ATOM 734 N PRO A 100 10.015 -9.941 16.229 1.00 16.54 N ATOM 735 CA PRO A 100 10.208 -10.708 15.016 1.00 18.12 C ATOM 736 C PRO A 100 10.781 -9.883 13.864 1.00 18.81 C ATOM 737 O PRO A 100 10.507 -8.684 13.732 1.00 20.84 O ATOM 738 CB PRO A 100 8.802 -11.157 14.608 1.00 10.33 C ATOM 739 CG PRO A 100 7.822 -10.719 15.653 1.00 13.72 C ATOM 740 CD PRO A 100 8.619 -9.983 16.722 1.00 15.34 C ATOM 0 HA PRO A 100 10.836 -11.428 15.185 1.00 18.12 H new ATOM 0 HB2 PRO A 100 8.566 -10.776 13.748 1.00 10.33 H new ATOM 0 HB3 PRO A 100 8.775 -12.121 14.508 1.00 10.33 H new ATOM 0 HG2 PRO A 100 7.145 -10.140 15.269 1.00 13.72 H new ATOM 0 HG3 PRO A 100 7.360 -11.483 16.033 1.00 13.72 H new ATOM 0 HD2 PRO A 100 8.272 -9.088 16.860 1.00 15.34 H new ATOM 0 HD3 PRO A 100 8.565 -10.443 17.574 1.00 15.34 H new ATOM 741 N VAL A 101 11.551 -10.511 12.983 1.00 16.92 N ATOM 742 CA VAL A 101 12.082 -9.776 11.836 1.00 21.41 C ATOM 743 C VAL A 101 10.880 -9.231 11.002 1.00 53.39 C ATOM 744 O VAL A 101 10.954 -8.202 10.351 1.00 19.49 O ATOM 745 CB VAL A 101 13.052 -10.646 11.025 1.00 17.14 C ATOM 746 CG1 VAL A 101 13.470 -9.904 9.767 1.00 9.26 C ATOM 747 CG2 VAL A 101 14.342 -10.878 11.785 1.00 21.12 C ATOM 0 H VAL A 101 11.775 -11.340 13.026 1.00 16.92 H new ATOM 0 HA VAL A 101 12.610 -9.017 12.129 1.00 21.41 H new ATOM 0 HB VAL A 101 12.594 -11.481 10.838 1.00 17.14 H new ATOM 0 HG11 VAL A 101 14.083 -10.454 9.255 1.00 9.26 H new ATOM 0 HG12 VAL A 101 12.686 -9.709 9.230 1.00 9.26 H new ATOM 0 HG13 VAL A 101 13.908 -9.074 10.011 1.00 9.26 H new ATOM 0 HG21 VAL A 101 14.937 -11.429 11.253 1.00 21.12 H new ATOM 0 HG22 VAL A 101 14.768 -10.026 11.967 1.00 21.12 H new ATOM 0 HG23 VAL A 101 14.148 -11.328 12.622 1.00 21.12 H new ATOM 748 N LYS A 102 9.720 -9.902 11.009 1.00 21.28 N ATOM 749 CA LYS A 102 8.568 -9.431 10.223 1.00 18.01 C ATOM 750 C LYS A 102 7.998 -8.088 10.688 1.00 9.36 C ATOM 751 O LYS A 102 7.568 -7.270 9.879 1.00 28.36 O ATOM 752 CB LYS A 102 7.554 -10.564 9.984 1.00 13.53 C ATOM 753 CG LYS A 102 6.166 -10.250 9.446 1.00 44.40 C ATOM 0 H LYS A 102 9.580 -10.623 11.456 1.00 21.28 H new ATOM 0 HA LYS A 102 8.890 -9.199 9.338 1.00 18.01 H new ATOM 0 HB2 LYS A 102 7.965 -11.192 9.370 1.00 13.53 H new ATOM 0 HB3 LYS A 102 7.437 -11.028 10.828 1.00 13.53 H new ATOM 754 N TYR A 103 8.051 -7.820 12.001 1.00 16.62 N ATOM 755 CA TYR A 103 7.560 -6.545 12.522 1.00 9.84 C ATOM 756 C TYR A 103 8.542 -5.444 12.094 1.00 8.60 C ATOM 757 O TYR A 103 8.139 -4.301 11.910 1.00 18.72 O ATOM 758 CB TYR A 103 7.505 -6.506 14.078 1.00 14.97 C ATOM 759 CG TYR A 103 6.370 -7.320 14.642 1.00 15.62 C ATOM 760 CD1 TYR A 103 5.584 -8.029 13.728 1.00 11.52 C ATOM 761 CD2 TYR A 103 6.102 -7.361 16.019 1.00 13.08 C ATOM 762 CE1 TYR A 103 4.530 -8.789 14.238 1.00 25.23 C ATOM 763 CE2 TYR A 103 5.050 -8.125 16.531 1.00 16.94 C ATOM 764 CZ TYR A 103 4.269 -8.836 15.612 1.00 26.84 C ATOM 765 OH TYR A 103 3.214 -9.604 16.008 1.00 35.58 O ATOM 0 H TYR A 103 8.364 -8.357 12.595 1.00 16.62 H new ATOM 0 HA TYR A 103 6.663 -6.421 12.174 1.00 9.84 H new ATOM 0 HB2 TYR A 103 8.344 -6.837 14.436 1.00 14.97 H new ATOM 0 HB3 TYR A 103 7.415 -5.586 14.371 1.00 14.97 H new ATOM 0 HD1 TYR A 103 5.757 -7.995 12.815 1.00 11.52 H new ATOM 0 HD2 TYR A 103 6.635 -6.870 16.602 1.00 13.08 H new ATOM 0 HE1 TYR A 103 3.992 -9.273 13.654 1.00 25.23 H new ATOM 0 HE2 TYR A 103 4.876 -8.160 17.444 1.00 16.94 H new ATOM 0 HH TYR A 103 3.140 -9.569 16.844 1.00 35.58 H new ATOM 766 N LEU A 104 9.837 -5.820 11.994 1.00 13.61 N ATOM 767 CA LEU A 104 10.963 -4.951 11.599 1.00 10.56 C ATOM 768 C LEU A 104 10.676 -4.444 10.191 1.00 30.17 C ATOM 769 O LEU A 104 10.852 -3.288 9.861 1.00 13.95 O ATOM 770 CB LEU A 104 12.374 -5.691 11.581 1.00 12.18 C ATOM 771 CG LEU A 104 13.039 -5.931 12.959 1.00 22.06 C ATOM 772 CD1 LEU A 104 14.547 -6.278 12.925 1.00 12.25 C ATOM 773 CD2 LEU A 104 12.780 -4.823 13.985 1.00 14.46 C ATOM 0 H LEU A 104 10.089 -6.625 12.163 1.00 13.61 H new ATOM 0 HA LEU A 104 11.028 -4.241 12.257 1.00 10.56 H new ATOM 0 HB2 LEU A 104 12.262 -6.549 11.143 1.00 12.18 H new ATOM 0 HB3 LEU A 104 12.984 -5.171 11.035 1.00 12.18 H new ATOM 0 HG LEU A 104 12.579 -6.732 13.255 1.00 22.06 H new ATOM 0 HD11 LEU A 104 14.870 -6.409 13.830 1.00 12.25 H new ATOM 0 HD12 LEU A 104 14.681 -7.091 12.414 1.00 12.25 H new ATOM 0 HD13 LEU A 104 15.037 -5.551 12.510 1.00 12.25 H new ATOM 0 HD21 LEU A 104 13.226 -5.043 14.818 1.00 14.46 H new ATOM 0 HD22 LEU A 104 13.124 -3.982 13.647 1.00 14.46 H new ATOM 0 HD23 LEU A 104 11.826 -4.742 14.141 1.00 14.46 H new ATOM 774 N GLU A 105 10.206 -5.342 9.354 1.00 20.87 N ATOM 775 CA GLU A 105 9.917 -5.014 7.998 1.00 13.01 C ATOM 776 C GLU A 105 8.703 -4.145 7.852 1.00 10.36 C ATOM 777 O GLU A 105 8.657 -3.252 6.994 1.00 13.25 O ATOM 778 CB GLU A 105 10.076 -6.208 7.067 1.00 17.94 C ATOM 779 CG GLU A 105 8.922 -7.206 7.075 1.00 55.09 C ATOM 780 CD GLU A 105 9.242 -8.303 6.099 1.00 72.31 C ATOM 781 OE1 GLU A 105 10.004 -9.237 6.497 1.00 41.40 O ATOM 782 OE2 GLU A 105 8.883 -8.143 4.897 1.00 80.00 O ATOM 0 H GLU A 105 10.048 -6.161 9.565 1.00 20.87 H new ATOM 0 HA GLU A 105 10.605 -4.417 7.665 1.00 13.01 H new ATOM 0 HB2 GLU A 105 10.192 -5.879 6.162 1.00 17.94 H new ATOM 0 HB3 GLU A 105 10.891 -6.678 7.305 1.00 17.94 H new ATOM 0 HG2 GLU A 105 8.797 -7.571 7.965 1.00 55.09 H new ATOM 0 HG3 GLU A 105 8.093 -6.766 6.830 1.00 55.09 H new ATOM 783 N PHE A 106 7.753 -4.430 8.727 1.00 16.81 N ATOM 784 CA PHE A 106 6.526 -3.670 8.795 1.00 18.29 C ATOM 785 C PHE A 106 6.909 -2.186 9.057 1.00 24.63 C ATOM 786 O PHE A 106 6.567 -1.281 8.293 1.00 17.71 O ATOM 787 CB PHE A 106 5.662 -4.110 10.024 1.00 12.57 C ATOM 788 CG PHE A 106 4.801 -5.316 9.797 1.00 21.91 C ATOM 789 CD1 PHE A 106 4.594 -5.843 8.520 1.00 17.53 C ATOM 790 CD2 PHE A 106 4.249 -5.965 10.905 1.00 27.55 C ATOM 791 CE1 PHE A 106 3.805 -6.985 8.367 1.00 31.95 C ATOM 792 CE2 PHE A 106 3.457 -7.105 10.766 1.00 21.80 C ATOM 793 CZ PHE A 106 3.236 -7.607 9.481 1.00 19.96 C ATOM 0 H PHE A 106 7.804 -5.071 9.298 1.00 16.81 H new ATOM 0 HA PHE A 106 6.032 -3.804 7.971 1.00 18.29 H new ATOM 0 HB2 PHE A 106 6.255 -4.289 10.771 1.00 12.57 H new ATOM 0 HB3 PHE A 106 5.094 -3.368 10.284 1.00 12.57 H new ATOM 0 HD1 PHE A 106 4.979 -5.436 7.777 1.00 17.53 H new ATOM 0 HD2 PHE A 106 4.414 -5.628 11.756 1.00 27.55 H new ATOM 0 HE1 PHE A 106 3.657 -7.334 7.518 1.00 31.95 H new ATOM 0 HE2 PHE A 106 3.085 -7.521 11.510 1.00 21.80 H new ATOM 0 HZ PHE A 106 2.705 -8.362 9.366 1.00 19.96 H new ATOM 794 N ILE A 107 7.629 -1.911 10.155 1.00 18.34 N ATOM 795 CA ILE A 107 8.023 -0.519 10.484 1.00 4.00 C ATOM 796 C ILE A 107 8.876 0.116 9.402 1.00 10.52 C ATOM 797 O ILE A 107 8.774 1.286 9.138 1.00 14.91 O ATOM 798 CB ILE A 107 8.675 -0.415 11.882 1.00 14.78 C ATOM 799 CG1 ILE A 107 8.543 1.021 12.458 1.00 18.30 C ATOM 800 CG2 ILE A 107 10.140 -0.881 11.772 1.00 18.34 C ATOM 801 CD1 ILE A 107 8.726 1.279 13.978 1.00 7.66 C ATOM 0 H ILE A 107 7.898 -2.503 10.718 1.00 18.34 H new ATOM 0 HA ILE A 107 7.203 -0.002 10.519 1.00 4.00 H new ATOM 0 HB ILE A 107 8.214 -0.992 12.511 1.00 14.78 H new ATOM 0 HG12 ILE A 107 9.188 1.576 11.993 1.00 18.30 H new ATOM 0 HG13 ILE A 107 7.662 1.347 12.216 1.00 18.30 H new ATOM 0 HG21 ILE A 107 10.565 -0.822 12.642 1.00 18.34 H new ATOM 0 HG22 ILE A 107 10.165 -1.800 11.462 1.00 18.34 H new ATOM 0 HG23 ILE A 107 10.613 -0.315 11.143 1.00 18.34 H new ATOM 0 HD11 ILE A 107 8.611 2.224 14.162 1.00 7.66 H new ATOM 0 HD12 ILE A 107 8.066 0.770 14.475 1.00 7.66 H new ATOM 0 HD13 ILE A 107 9.616 1.004 14.248 1.00 7.66 H new ATOM 802 N CYS A 108 9.745 -0.647 8.743 1.00 20.16 N ATOM 803 CA CYS A 108 10.554 -0.063 7.680 1.00 16.37 C ATOM 804 C CYS A 108 9.643 0.341 6.557 1.00 21.13 C ATOM 805 O CYS A 108 9.885 1.312 5.876 1.00 12.51 O ATOM 806 CB CYS A 108 11.630 -1.001 7.091 1.00 13.41 C ATOM 807 SG CYS A 108 12.902 -1.275 8.365 1.00 21.44 S ATOM 0 H CYS A 108 9.879 -1.483 8.891 1.00 20.16 H new ATOM 0 HA CYS A 108 11.024 0.683 8.084 1.00 16.37 H new ATOM 0 HB2 CYS A 108 11.233 -1.844 6.822 1.00 13.41 H new ATOM 0 HB3 CYS A 108 12.025 -0.607 6.297 1.00 13.41 H new ATOM 0 HG CYS A 108 12.485 -2.041 9.189 1.00 21.44 H new ATOM 808 N GLU A 109 8.566 -0.400 6.331 1.00 24.44 N ATOM 809 CA GLU A 109 7.735 0.024 5.244 1.00 19.26 C ATOM 810 C GLU A 109 7.033 1.345 5.520 1.00 18.41 C ATOM 811 O GLU A 109 6.851 2.204 4.671 1.00 17.90 O ATOM 812 CB GLU A 109 6.809 -1.090 4.727 1.00 16.40 C ATOM 0 H GLU A 109 8.319 -1.100 6.765 1.00 24.44 H new ATOM 0 HA GLU A 109 8.330 0.211 4.501 1.00 19.26 H new ATOM 813 N ILE A 110 6.619 1.504 6.740 1.00 17.44 N ATOM 814 CA ILE A 110 5.930 2.703 7.117 1.00 4.69 C ATOM 815 C ILE A 110 6.877 3.887 7.156 1.00 27.27 C ATOM 816 O ILE A 110 6.512 5.002 6.852 1.00 18.82 O ATOM 817 CB ILE A 110 5.248 2.366 8.438 1.00 9.69 C ATOM 818 CG1 ILE A 110 4.086 1.463 8.042 1.00 16.97 C ATOM 819 CG2 ILE A 110 4.789 3.537 9.332 1.00 17.35 C ATOM 820 CD1 ILE A 110 3.143 1.136 9.180 1.00 46.39 C ATOM 0 H ILE A 110 6.725 0.930 7.372 1.00 17.44 H new ATOM 0 HA ILE A 110 5.259 2.985 6.475 1.00 4.69 H new ATOM 0 HB ILE A 110 5.902 1.952 9.022 1.00 9.69 H new ATOM 0 HG12 ILE A 110 3.584 1.891 7.331 1.00 16.97 H new ATOM 0 HG13 ILE A 110 4.440 0.636 7.680 1.00 16.97 H new ATOM 0 HG21 ILE A 110 4.374 3.187 10.136 1.00 17.35 H new ATOM 0 HG22 ILE A 110 5.556 4.079 9.574 1.00 17.35 H new ATOM 0 HG23 ILE A 110 4.148 4.082 8.848 1.00 17.35 H new ATOM 0 HD11 ILE A 110 2.432 0.561 8.856 1.00 46.39 H new ATOM 0 HD12 ILE A 110 3.631 0.681 9.884 1.00 46.39 H new ATOM 0 HD13 ILE A 110 2.761 1.956 9.530 1.00 46.39 H new ATOM 821 N ILE A 111 8.120 3.669 7.543 1.00 14.26 N ATOM 822 CA ILE A 111 9.042 4.805 7.594 1.00 7.78 C ATOM 823 C ILE A 111 9.142 5.416 6.201 1.00 25.29 C ATOM 824 O ILE A 111 8.956 6.592 6.043 1.00 15.45 O ATOM 825 CB ILE A 111 10.371 4.403 8.237 1.00 10.84 C ATOM 826 CG1 ILE A 111 10.272 4.305 9.772 1.00 14.31 C ATOM 827 CG2 ILE A 111 11.498 5.318 7.824 1.00 16.72 C ATOM 828 CD1 ILE A 111 11.336 3.396 10.429 1.00 16.41 C ATOM 0 H ILE A 111 8.447 2.908 7.773 1.00 14.26 H new ATOM 0 HA ILE A 111 8.707 5.506 8.175 1.00 7.78 H new ATOM 0 HB ILE A 111 10.576 3.515 7.904 1.00 10.84 H new ATOM 0 HG12 ILE A 111 10.349 5.196 10.147 1.00 14.31 H new ATOM 0 HG13 ILE A 111 9.391 3.974 10.007 1.00 14.31 H new ATOM 0 HG21 ILE A 111 12.321 5.032 8.251 1.00 16.72 H new ATOM 0 HG22 ILE A 111 11.605 5.285 6.861 1.00 16.72 H new ATOM 0 HG23 ILE A 111 11.293 6.227 8.095 1.00 16.72 H new ATOM 0 HD11 ILE A 111 11.206 3.388 11.390 1.00 16.41 H new ATOM 0 HD12 ILE A 111 11.249 2.494 10.084 1.00 16.41 H new ATOM 0 HD13 ILE A 111 12.222 3.735 10.226 1.00 16.41 H new ATOM 829 N VAL A 112 9.369 4.590 5.186 1.00 11.19 N ATOM 830 CA VAL A 112 9.467 5.023 3.823 1.00 15.80 C ATOM 831 C VAL A 112 8.208 5.771 3.429 1.00 16.23 C ATOM 832 O VAL A 112 8.242 6.859 2.865 1.00 33.13 O ATOM 833 CB VAL A 112 9.734 3.851 2.882 1.00 16.91 C ATOM 834 CG1 VAL A 112 9.405 4.228 1.467 1.00 24.57 C ATOM 835 CG2 VAL A 112 11.206 3.431 2.946 1.00 20.67 C ATOM 0 H VAL A 112 9.471 3.742 5.286 1.00 11.19 H new ATOM 0 HA VAL A 112 10.223 5.625 3.745 1.00 15.80 H new ATOM 0 HB VAL A 112 9.172 3.112 3.164 1.00 16.91 H new ATOM 0 HG11 VAL A 112 9.580 3.474 0.882 1.00 24.57 H new ATOM 0 HG12 VAL A 112 8.468 4.473 1.407 1.00 24.57 H new ATOM 0 HG13 VAL A 112 9.954 4.981 1.196 1.00 24.57 H new ATOM 0 HG21 VAL A 112 11.357 2.686 2.343 1.00 20.67 H new ATOM 0 HG22 VAL A 112 11.767 4.177 2.684 1.00 20.67 H new ATOM 0 HG23 VAL A 112 11.427 3.163 3.852 1.00 20.67 H new ATOM 836 N LYS A 113 7.082 5.172 3.763 1.00 14.03 N ATOM 837 CA LYS A 113 5.777 5.726 3.466 1.00 42.77 C ATOM 838 C LYS A 113 5.611 7.118 4.066 1.00 22.70 C ATOM 839 O LYS A 113 5.198 8.094 3.375 1.00 15.54 O ATOM 840 CB LYS A 113 4.639 4.775 3.844 1.00 14.51 C ATOM 0 H LYS A 113 7.053 4.418 4.176 1.00 14.03 H new ATOM 0 HA LYS A 113 5.722 5.830 2.503 1.00 42.77 H new ATOM 841 N VAL A 114 5.919 7.221 5.365 1.00 16.05 N ATOM 842 CA VAL A 114 5.772 8.532 6.021 1.00 16.58 C ATOM 843 C VAL A 114 6.651 9.586 5.370 1.00 16.25 C ATOM 844 O VAL A 114 6.260 10.736 5.192 1.00 14.85 O ATOM 845 CB VAL A 114 5.944 8.435 7.538 1.00 38.23 C ATOM 846 CG1 VAL A 114 6.100 9.813 8.159 1.00 18.26 C ATOM 847 CG2 VAL A 114 4.777 7.667 8.196 1.00 14.48 C ATOM 0 H VAL A 114 6.201 6.580 5.865 1.00 16.05 H new ATOM 0 HA VAL A 114 4.859 8.831 5.885 1.00 16.58 H new ATOM 0 HB VAL A 114 6.757 7.933 7.705 1.00 38.23 H new ATOM 0 HG11 VAL A 114 6.207 9.725 9.119 1.00 18.26 H new ATOM 0 HG12 VAL A 114 6.881 10.250 7.785 1.00 18.26 H new ATOM 0 HG13 VAL A 114 5.311 10.345 7.970 1.00 18.26 H new ATOM 0 HG21 VAL A 114 4.917 7.624 9.155 1.00 14.48 H new ATOM 0 HG22 VAL A 114 3.943 8.126 8.012 1.00 14.48 H new ATOM 0 HG23 VAL A 114 4.737 6.768 7.835 1.00 14.48 H new ATOM 848 N ILE A 115 7.841 9.194 4.975 1.00 12.96 N ATOM 849 CA ILE A 115 8.721 10.167 4.347 1.00 8.75 C ATOM 850 C ILE A 115 8.252 10.662 3.007 1.00 14.72 C ATOM 851 O ILE A 115 8.415 11.828 2.697 1.00 15.29 O ATOM 852 CB ILE A 115 10.157 9.704 4.226 1.00 22.14 C ATOM 853 CG1 ILE A 115 10.782 9.471 5.619 1.00 9.26 C ATOM 854 CG2 ILE A 115 10.843 10.811 3.451 1.00 11.60 C ATOM 855 CD1 ILE A 115 12.254 9.073 5.497 1.00 15.17 C ATOM 0 H ILE A 115 8.157 8.398 5.054 1.00 12.96 H new ATOM 0 HA ILE A 115 8.684 10.911 4.968 1.00 8.75 H new ATOM 0 HB ILE A 115 10.245 8.851 3.773 1.00 22.14 H new ATOM 0 HG12 ILE A 115 10.704 10.278 6.152 1.00 9.26 H new ATOM 0 HG13 ILE A 115 10.292 8.775 6.085 1.00 9.26 H new ATOM 0 HG21 ILE A 115 11.779 10.589 3.329 1.00 11.60 H new ATOM 0 HG22 ILE A 115 10.419 10.910 2.584 1.00 11.60 H new ATOM 0 HG23 ILE A 115 10.770 11.644 3.943 1.00 11.60 H new ATOM 0 HD11 ILE A 115 12.626 8.932 6.382 1.00 15.17 H new ATOM 0 HD12 ILE A 115 12.326 8.254 4.982 1.00 15.17 H new ATOM 0 HD13 ILE A 115 12.745 9.780 5.050 1.00 15.17 H new ATOM 856 N ALA A 116 7.689 9.769 2.220 1.00 14.00 N ATOM 857 CA ALA A 116 7.207 10.073 0.921 1.00 15.99 C ATOM 858 C ALA A 116 6.019 11.012 1.084 1.00 22.84 C ATOM 859 O ALA A 116 5.894 12.010 0.419 1.00 25.40 O ATOM 860 CB ALA A 116 6.906 8.759 0.191 1.00 22.94 C ATOM 0 H ALA A 116 7.579 8.946 2.445 1.00 14.00 H new ATOM 0 HA ALA A 116 7.854 10.535 0.365 1.00 15.99 H new ATOM 0 HB1 ALA A 116 6.575 8.952 -0.700 1.00 22.94 H new ATOM 0 HB2 ALA A 116 7.717 8.231 0.127 1.00 22.94 H new ATOM 0 HB3 ALA A 116 6.235 8.261 0.684 1.00 22.94 H new ATOM 861 N GLU A 117 5.134 10.683 1.991 1.00 23.76 N ATOM 862 CA GLU A 117 3.967 11.493 2.255 1.00 17.96 C ATOM 863 C GLU A 117 4.405 12.911 2.596 1.00 31.75 C ATOM 864 O GLU A 117 3.854 13.868 2.081 1.00 35.99 O ATOM 865 CB GLU A 117 3.329 10.978 3.557 1.00 28.98 C ATOM 866 CG GLU A 117 1.865 10.534 3.523 1.00 35.86 C ATOM 867 CD GLU A 117 1.253 10.493 4.900 1.00 32.25 C ATOM 868 OE1 GLU A 117 1.149 11.598 5.536 1.00 80.00 O ATOM 869 OE2 GLU A 117 0.917 9.352 5.361 1.00 80.00 O ATOM 0 H GLU A 117 5.190 9.977 2.478 1.00 23.76 H new ATOM 0 HA GLU A 117 3.377 11.462 1.486 1.00 17.96 H new ATOM 0 HB2 GLU A 117 3.858 10.227 3.869 1.00 28.98 H new ATOM 0 HB3 GLU A 117 3.410 11.678 4.223 1.00 28.98 H new ATOM 0 HG2 GLU A 117 1.357 11.141 2.963 1.00 35.86 H new ATOM 0 HG3 GLU A 117 1.804 9.655 3.117 1.00 35.86 H new ATOM 870 N LYS A 118 5.393 13.033 3.478 1.00 36.25 N ATOM 871 CA LYS A 118 5.909 14.317 3.945 1.00 27.44 C ATOM 872 C LYS A 118 6.899 15.091 3.050 1.00 44.60 C ATOM 873 O LYS A 118 7.097 16.267 3.227 1.00 17.11 O ATOM 874 CB LYS A 118 6.506 14.090 5.329 1.00 20.47 C ATOM 875 CG LYS A 118 5.429 13.875 6.378 1.00 34.72 C ATOM 876 CD LYS A 118 5.878 14.229 7.797 1.00 46.61 C ATOM 877 CE LYS A 118 4.743 14.740 8.677 1.00 31.97 C ATOM 878 NZ LYS A 118 3.789 13.672 9.083 1.00 45.09 N ATOM 0 H LYS A 118 5.791 12.357 3.830 1.00 36.25 H new ATOM 0 HA LYS A 118 5.142 14.911 3.936 1.00 27.44 H new ATOM 0 HB2 LYS A 118 7.094 13.319 5.306 1.00 20.47 H new ATOM 0 HB3 LYS A 118 7.050 14.854 5.576 1.00 20.47 H new ATOM 0 HG2 LYS A 118 4.653 14.411 6.149 1.00 34.72 H new ATOM 0 HG3 LYS A 118 5.149 12.947 6.358 1.00 34.72 H new ATOM 0 HD2 LYS A 118 6.272 13.445 8.210 1.00 46.61 H new ATOM 0 HD3 LYS A 118 6.573 14.904 7.751 1.00 46.61 H new ATOM 0 HE2 LYS A 118 5.118 15.150 9.472 1.00 31.97 H new ATOM 0 HE3 LYS A 118 4.260 15.433 8.201 1.00 31.97 H new ATOM 0 HZ1 LYS A 118 3.150 14.023 9.593 1.00 45.09 H new ATOM 0 HZ2 LYS A 118 3.423 13.309 8.357 1.00 45.09 H new ATOM 0 HZ3 LYS A 118 4.223 13.045 9.542 1.00 45.09 H new ATOM 879 N HIS A 119 7.545 14.467 2.086 1.00 23.51 N ATOM 880 CA HIS A 119 8.501 15.144 1.259 1.00 12.17 C ATOM 881 C HIS A 119 8.299 14.789 -0.185 1.00 25.70 C ATOM 882 O HIS A 119 9.228 14.241 -0.801 1.00 28.71 O ATOM 883 CB HIS A 119 9.958 14.698 1.620 1.00 15.40 C ATOM 884 CG HIS A 119 10.191 14.908 3.059 1.00 32.66 C ATOM 885 ND1 HIS A 119 10.169 14.023 4.083 1.00 39.87 N flip ATOM 886 CD2 HIS A 119 10.453 16.177 3.557 1.00 24.98 C flip ATOM 887 CE1 HIS A 119 10.414 14.753 5.223 1.00 22.16 C flip ATOM 888 NE2 HIS A 119 10.549 16.033 4.867 1.00 30.67 N flip ATOM 0 H HIS A 119 7.437 13.635 1.896 1.00 23.51 H new ATOM 0 HA HIS A 119 8.377 16.095 1.407 1.00 12.17 H new ATOM 0 HB2 HIS A 119 10.086 13.763 1.394 1.00 15.40 H new ATOM 0 HB3 HIS A 119 10.601 15.206 1.100 1.00 15.40 H new ATOM 0 HD2 HIS A 119 10.542 16.964 3.070 1.00 24.98 H new ATOM 0 HE1 HIS A 119 10.475 14.415 6.087 1.00 22.16 H new ATOM 0 HE2 HIS A 119 10.681 16.679 5.419 1.00 30.67 H new ATOM 889 N PRO A 120 7.113 15.108 -0.702 1.00 24.81 N ATOM 890 CA PRO A 120 6.734 14.837 -2.071 1.00 25.87 C ATOM 891 C PRO A 120 7.661 15.330 -3.170 1.00 17.65 C ATOM 892 O PRO A 120 7.858 14.579 -4.144 1.00 26.87 O ATOM 893 CB PRO A 120 5.338 15.365 -2.259 1.00 13.13 C ATOM 894 CG PRO A 120 5.159 16.387 -1.156 1.00 38.84 C ATOM 895 CD PRO A 120 6.222 16.119 -0.103 1.00 31.66 C ATOM 0 HA PRO A 120 6.796 13.875 -2.181 1.00 25.87 H new ATOM 0 HB2 PRO A 120 5.229 15.769 -3.134 1.00 13.13 H new ATOM 0 HB3 PRO A 120 4.681 14.655 -2.191 1.00 13.13 H new ATOM 0 HG2 PRO A 120 5.247 17.287 -1.508 1.00 38.84 H new ATOM 0 HG3 PRO A 120 4.272 16.319 -0.769 1.00 38.84 H new ATOM 0 HD2 PRO A 120 6.709 16.929 0.118 1.00 31.66 H new ATOM 0 HD3 PRO A 120 5.826 15.793 0.720 1.00 31.66 H new ATOM 896 N SER A 121 8.270 16.514 -3.059 1.00 30.67 N ATOM 897 CA SER A 121 9.162 16.939 -4.136 1.00 57.87 C ATOM 898 C SER A 121 10.581 16.458 -3.956 1.00 16.45 C ATOM 899 O SER A 121 11.397 16.486 -4.852 1.00 38.23 O ATOM 900 CB SER A 121 9.184 18.442 -4.340 1.00 46.40 C ATOM 901 OG SER A 121 9.690 18.991 -3.164 1.00 41.84 O ATOM 0 H SER A 121 8.186 17.061 -2.401 1.00 30.67 H new ATOM 0 HA SER A 121 8.785 16.522 -4.926 1.00 57.87 H new ATOM 0 HB2 SER A 121 9.739 18.680 -5.099 1.00 46.40 H new ATOM 0 HB3 SER A 121 8.293 18.779 -4.523 1.00 46.40 H new ATOM 0 HG SER A 121 9.721 19.827 -3.235 1.00 41.84 H new ATOM 902 N ASP A 122 10.894 16.004 -2.800 1.00 22.20 N ATOM 903 CA ASP A 122 12.246 15.571 -2.616 1.00 20.46 C ATOM 904 C ASP A 122 12.495 14.065 -2.623 1.00 22.83 C ATOM 905 O ASP A 122 13.551 13.623 -3.082 1.00 35.28 O ATOM 906 CB ASP A 122 12.724 16.175 -1.295 1.00 31.44 C ATOM 907 CG ASP A 122 12.948 17.654 -1.341 1.00 41.21 C ATOM 908 OD1 ASP A 122 13.790 18.090 -2.185 1.00 34.28 O ATOM 909 OD2 ASP A 122 12.392 18.332 -0.443 1.00 39.51 O ATOM 0 H ASP A 122 10.371 15.933 -2.121 1.00 22.20 H new ATOM 0 HA ASP A 122 12.743 15.877 -3.391 1.00 20.46 H new ATOM 0 HB2 ASP A 122 12.070 15.979 -0.606 1.00 31.44 H new ATOM 0 HB3 ASP A 122 13.551 15.741 -1.033 1.00 31.44 H new ATOM 910 N PHE A 123 11.541 13.312 -2.103 1.00 18.43 N ATOM 911 CA PHE A 123 11.628 11.849 -2.011 1.00 32.92 C ATOM 912 C PHE A 123 11.142 11.223 -3.296 1.00 29.72 C ATOM 913 O PHE A 123 9.971 10.878 -3.416 1.00 24.06 O ATOM 914 CB PHE A 123 10.829 11.285 -0.811 1.00 7.55 C ATOM 915 CG PHE A 123 11.331 9.937 -0.260 1.00 12.73 C ATOM 916 CD1 PHE A 123 12.688 9.664 -0.062 1.00 24.01 C ATOM 917 CD2 PHE A 123 10.415 8.968 0.138 1.00 22.82 C ATOM 918 CE1 PHE A 123 13.159 8.457 0.457 1.00 16.19 C ATOM 919 CE2 PHE A 123 10.847 7.761 0.688 1.00 29.00 C ATOM 920 CZ PHE A 123 12.212 7.508 0.837 1.00 38.07 C ATOM 0 H PHE A 123 10.809 13.634 -1.786 1.00 18.43 H new ATOM 0 HA PHE A 123 12.560 11.623 -1.867 1.00 32.92 H new ATOM 0 HB2 PHE A 123 10.848 11.938 -0.094 1.00 7.55 H new ATOM 0 HB3 PHE A 123 9.902 11.183 -1.078 1.00 7.55 H new ATOM 0 HD1 PHE A 123 13.308 10.320 -0.287 1.00 24.01 H new ATOM 0 HD2 PHE A 123 9.504 9.127 0.036 1.00 22.82 H new ATOM 0 HE1 PHE A 123 14.070 8.292 0.546 1.00 16.19 H new ATOM 0 HE2 PHE A 123 10.225 7.124 0.956 1.00 29.00 H new ATOM 0 HZ PHE A 123 12.493 6.696 1.194 1.00 38.07 H new ATOM 921 N GLY A 124 12.063 11.101 -4.240 1.00 31.79 N ATOM 922 CA GLY A 124 11.745 10.529 -5.519 1.00 55.26 C ATOM 923 C GLY A 124 12.168 9.080 -5.670 1.00 18.03 C ATOM 924 O GLY A 124 12.758 8.438 -4.774 1.00 29.14 O ATOM 0 H GLY A 124 12.882 11.348 -4.151 1.00 31.79 H new ATOM 0 HA2 GLY A 124 10.788 10.593 -5.663 1.00 55.26 H new ATOM 0 HA3 GLY A 124 12.172 11.055 -6.213 1.00 55.26 H new ATOM 925 N ALA A 125 11.889 8.598 -6.851 1.00 33.48 N ATOM 926 CA ALA A 125 12.203 7.230 -7.172 1.00 14.01 C ATOM 927 C ALA A 125 13.554 6.792 -6.785 1.00 19.53 C ATOM 928 O ALA A 125 13.791 5.722 -6.239 1.00 9.48 O ATOM 929 CB ALA A 125 12.033 6.868 -8.653 1.00 28.93 C ATOM 0 H ALA A 125 11.517 9.044 -7.485 1.00 33.48 H new ATOM 0 HA ALA A 125 11.544 6.763 -6.635 1.00 14.01 H new ATOM 0 HB1 ALA A 125 12.263 5.935 -8.787 1.00 28.93 H new ATOM 0 HB2 ALA A 125 11.112 7.015 -8.919 1.00 28.93 H new ATOM 0 HB3 ALA A 125 12.617 7.425 -9.191 1.00 28.93 H new ATOM 930 N ASP A 126 14.478 7.628 -7.121 1.00 7.19 N ATOM 931 CA ASP A 126 15.816 7.173 -6.782 1.00 18.77 C ATOM 932 C ASP A 126 16.079 7.124 -5.291 1.00 17.91 C ATOM 933 O ASP A 126 16.684 6.185 -4.760 1.00 28.64 O ATOM 934 CB ASP A 126 16.854 8.057 -7.500 1.00 69.24 C ATOM 935 CG ASP A 126 16.827 7.839 -8.992 1.00 48.49 C ATOM 936 OD1 ASP A 126 15.936 8.407 -9.674 1.00 80.00 O ATOM 937 OD2 ASP A 126 17.635 7.026 -9.487 1.00 54.27 O ATOM 0 H ASP A 126 14.391 8.392 -7.507 1.00 7.19 H new ATOM 0 HA ASP A 126 15.895 6.256 -7.088 1.00 18.77 H new ATOM 0 HB2 ASP A 126 16.676 8.990 -7.305 1.00 69.24 H new ATOM 0 HB3 ASP A 126 17.740 7.860 -7.159 1.00 69.24 H new ATOM 938 N SER A 127 15.617 8.171 -4.606 1.00 20.26 N ATOM 939 CA SER A 127 15.847 8.251 -3.186 1.00 23.05 C ATOM 940 C SER A 127 15.064 7.167 -2.496 1.00 18.19 C ATOM 941 O SER A 127 15.562 6.566 -1.542 1.00 20.53 O ATOM 942 CB SER A 127 15.670 9.665 -2.636 1.00 10.87 C ATOM 943 OG SER A 127 14.705 10.352 -3.458 1.00 80.00 O ATOM 0 H SER A 127 15.178 8.828 -4.946 1.00 20.26 H new ATOM 0 HA SER A 127 16.781 8.075 -2.990 1.00 23.05 H new ATOM 0 HB2 SER A 127 15.368 9.634 -1.715 1.00 10.87 H new ATOM 0 HB3 SER A 127 16.517 10.138 -2.641 1.00 10.87 H new ATOM 0 HG SER A 127 14.105 9.814 -3.696 1.00 80.00 H new ATOM 944 N GLN A 128 13.873 6.891 -3.018 1.00 23.55 N ATOM 945 CA GLN A 128 13.056 5.831 -2.433 1.00 22.65 C ATOM 946 C GLN A 128 13.721 4.488 -2.586 1.00 35.85 C ATOM 947 O GLN A 128 13.679 3.714 -1.654 1.00 23.57 O ATOM 948 CB GLN A 128 11.576 5.820 -2.842 1.00 18.84 C ATOM 949 CG GLN A 128 10.877 7.131 -2.482 1.00 33.32 C ATOM 950 CD GLN A 128 9.468 7.059 -2.998 1.00 64.44 C ATOM 951 OE1 GLN A 128 9.177 6.145 -3.768 1.00 80.00 O ATOM 952 NE2 GLN A 128 8.612 8.008 -2.632 1.00 48.46 N ATOM 0 H GLN A 128 13.525 7.294 -3.694 1.00 23.55 H new ATOM 0 HA GLN A 128 13.011 6.044 -1.488 1.00 22.65 H new ATOM 0 HB2 GLN A 128 11.506 5.668 -3.797 1.00 18.84 H new ATOM 0 HB3 GLN A 128 11.125 5.082 -2.403 1.00 18.84 H new ATOM 0 HG2 GLN A 128 10.880 7.265 -1.521 1.00 33.32 H new ATOM 0 HG3 GLN A 128 11.345 7.884 -2.875 1.00 33.32 H new ATOM 0 HE21 GLN A 128 8.862 8.627 -2.090 1.00 48.46 H new ATOM 0 HE22 GLN A 128 7.808 8.003 -2.937 1.00 48.46 H new ATOM 953 N ALA A 129 14.348 4.218 -3.729 1.00 19.83 N ATOM 954 CA ALA A 129 15.042 2.957 -3.917 1.00 9.64 C ATOM 955 C ALA A 129 16.167 2.810 -2.907 1.00 22.76 C ATOM 956 O ALA A 129 16.393 1.769 -2.203 1.00 13.38 O ATOM 957 CB ALA A 129 15.713 2.944 -5.272 1.00 15.99 C ATOM 0 H ALA A 129 14.381 4.752 -4.403 1.00 19.83 H new ATOM 0 HA ALA A 129 14.386 2.248 -3.823 1.00 9.64 H new ATOM 0 HB1 ALA A 129 16.176 2.101 -5.396 1.00 15.99 H new ATOM 0 HB2 ALA A 129 15.043 3.050 -5.966 1.00 15.99 H new ATOM 0 HB3 ALA A 129 16.350 3.673 -5.325 1.00 15.99 H new ATOM 958 N ALA A 130 16.917 3.904 -2.855 1.00 20.12 N ATOM 959 CA ALA A 130 18.041 3.896 -1.953 1.00 21.43 C ATOM 960 C ALA A 130 17.636 3.754 -0.501 1.00 17.53 C ATOM 961 O ALA A 130 18.274 3.015 0.251 1.00 13.85 O ATOM 962 CB ALA A 130 18.980 5.044 -2.153 1.00 13.97 C ATOM 0 H ALA A 130 16.797 4.623 -3.311 1.00 20.12 H new ATOM 0 HA ALA A 130 18.536 3.096 -2.188 1.00 21.43 H new ATOM 0 HB1 ALA A 130 19.710 4.979 -1.518 1.00 13.97 H new ATOM 0 HB2 ALA A 130 19.334 5.019 -3.056 1.00 13.97 H new ATOM 0 HB3 ALA A 130 18.505 5.879 -2.015 1.00 13.97 H new ATOM 963 N MET A 131 16.564 4.424 -0.083 1.00 16.15 N ATOM 964 CA MET A 131 16.174 4.323 1.309 1.00 23.52 C ATOM 965 C MET A 131 15.837 2.879 1.635 1.00 14.03 C ATOM 966 O MET A 131 16.318 2.328 2.615 1.00 22.73 O ATOM 967 CB MET A 131 15.089 5.353 1.679 1.00 26.77 C ATOM 968 CG MET A 131 14.625 5.315 3.130 1.00 20.29 C ATOM 969 SD MET A 131 15.950 5.831 4.250 1.00 22.38 S ATOM 970 CE MET A 131 14.992 6.329 5.715 1.00 40.05 C ATOM 0 H MET A 131 16.067 4.925 -0.575 1.00 16.15 H new ATOM 0 HA MET A 131 16.918 4.564 1.882 1.00 23.52 H new ATOM 0 HB2 MET A 131 15.428 6.241 1.486 1.00 26.77 H new ATOM 0 HB3 MET A 131 14.320 5.212 1.105 1.00 26.77 H new ATOM 0 HG2 MET A 131 13.857 5.897 3.243 1.00 20.29 H new ATOM 0 HG3 MET A 131 14.336 4.417 3.357 1.00 20.29 H new ATOM 0 HE1 MET A 131 15.566 6.315 6.497 1.00 40.05 H new ATOM 0 HE2 MET A 131 14.645 7.225 5.585 1.00 40.05 H new ATOM 0 HE3 MET A 131 14.254 5.713 5.844 1.00 40.05 H new ATOM 971 N LYS A 132 15.113 2.284 0.715 1.00 10.87 N ATOM 972 CA LYS A 132 14.653 0.908 0.940 1.00 27.78 C ATOM 973 C LYS A 132 15.844 -0.023 1.129 1.00 15.36 C ATOM 974 O LYS A 132 15.897 -0.802 2.084 1.00 27.66 O ATOM 975 CB LYS A 132 13.838 0.428 -0.251 1.00 18.91 C ATOM 976 CG LYS A 132 12.471 1.091 -0.300 1.00 39.17 C ATOM 977 CD LYS A 132 11.426 0.248 -1.013 1.00 41.15 C ATOM 978 CE LYS A 132 11.018 0.840 -2.357 1.00 80.00 C ATOM 0 H LYS A 132 14.875 2.637 -0.032 1.00 10.87 H new ATOM 0 HA LYS A 132 14.103 0.898 1.739 1.00 27.78 H new ATOM 0 HB2 LYS A 132 14.320 0.618 -1.071 1.00 18.91 H new ATOM 0 HB3 LYS A 132 13.730 -0.535 -0.203 1.00 18.91 H new ATOM 0 HG2 LYS A 132 12.172 1.270 0.605 1.00 39.17 H new ATOM 0 HG3 LYS A 132 12.549 1.948 -0.748 1.00 39.17 H new ATOM 0 HD2 LYS A 132 11.774 -0.647 -1.149 1.00 41.15 H new ATOM 0 HD3 LYS A 132 10.642 0.164 -0.448 1.00 41.15 H new ATOM 979 N LYS A 133 16.790 0.071 0.217 1.00 12.40 N ATOM 980 CA LYS A 133 17.981 -0.789 0.263 1.00 18.60 C ATOM 981 C LYS A 133 18.754 -0.564 1.568 1.00 16.22 C ATOM 982 O LYS A 133 19.257 -1.523 2.183 1.00 12.07 O ATOM 983 CB LYS A 133 18.886 -0.509 -0.933 1.00 17.39 C ATOM 984 CG LYS A 133 18.549 -1.391 -2.139 1.00 17.22 C ATOM 985 CD LYS A 133 19.769 -2.105 -2.720 1.00 34.36 C ATOM 986 CE LYS A 133 20.639 -1.184 -3.575 1.00 68.58 C ATOM 0 H LYS A 133 16.772 0.623 -0.442 1.00 12.40 H new ATOM 0 HA LYS A 133 17.691 -1.714 0.227 1.00 18.60 H new ATOM 0 HB2 LYS A 133 18.805 0.424 -1.185 1.00 17.39 H new ATOM 0 HB3 LYS A 133 19.810 -0.655 -0.677 1.00 17.39 H new ATOM 0 HG2 LYS A 133 17.890 -2.052 -1.875 1.00 17.22 H new ATOM 0 HG3 LYS A 133 18.142 -0.844 -2.829 1.00 17.22 H new ATOM 0 HD2 LYS A 133 20.303 -2.467 -1.995 1.00 34.36 H new ATOM 0 HD3 LYS A 133 19.474 -2.856 -3.258 1.00 34.36 H new ATOM 987 N ALA A 134 18.685 0.660 2.154 1.00 10.89 N ATOM 988 CA ALA A 134 19.323 0.959 3.437 1.00 15.25 C ATOM 989 C ALA A 134 18.621 0.326 4.624 1.00 16.61 C ATOM 990 O ALA A 134 19.271 -0.140 5.560 1.00 9.21 O ATOM 991 CB ALA A 134 19.460 2.450 3.657 1.00 10.86 C ATOM 0 H ALA A 134 18.266 1.327 1.809 1.00 10.89 H new ATOM 0 HA ALA A 134 20.206 0.561 3.381 1.00 15.25 H new ATOM 0 HB1 ALA A 134 19.885 2.613 4.513 1.00 10.86 H new ATOM 0 HB2 ALA A 134 20.002 2.833 2.949 1.00 10.86 H new ATOM 0 HB3 ALA A 134 18.581 2.861 3.649 1.00 10.86 H new ATOM 992 N LEU A 135 17.289 0.303 4.572 1.00 9.60 N ATOM 993 CA LEU A 135 16.486 -0.274 5.637 1.00 11.85 C ATOM 994 C LEU A 135 16.515 -1.796 5.539 1.00 47.27 C ATOM 995 O LEU A 135 16.422 -2.524 6.527 1.00 23.45 O ATOM 996 CB LEU A 135 15.037 0.238 5.550 1.00 4.31 C ATOM 997 CG LEU A 135 15.067 1.761 5.814 1.00 13.05 C ATOM 998 CD1 LEU A 135 13.667 2.384 5.719 1.00 13.38 C ATOM 999 CD2 LEU A 135 15.767 2.038 7.159 1.00 17.40 C ATOM 0 H LEU A 135 16.831 0.622 3.918 1.00 9.60 H new ATOM 0 HA LEU A 135 16.857 -0.005 6.492 1.00 11.85 H new ATOM 0 HB2 LEU A 135 14.661 0.050 4.676 1.00 4.31 H new ATOM 0 HB3 LEU A 135 14.477 -0.211 6.202 1.00 4.31 H new ATOM 0 HG LEU A 135 15.585 2.195 5.119 1.00 13.05 H new ATOM 0 HD11 LEU A 135 13.724 3.337 5.890 1.00 13.38 H new ATOM 0 HD12 LEU A 135 13.306 2.236 4.831 1.00 13.38 H new ATOM 0 HD13 LEU A 135 13.084 1.973 6.376 1.00 13.38 H new ATOM 0 HD21 LEU A 135 15.785 2.994 7.324 1.00 17.40 H new ATOM 0 HD22 LEU A 135 15.282 1.596 7.874 1.00 17.40 H new ATOM 0 HD23 LEU A 135 16.675 1.698 7.127 1.00 17.40 H new ATOM 1000 N GLU A 136 16.707 -2.270 4.316 1.00 16.38 N ATOM 1001 CA GLU A 136 16.808 -3.685 4.036 1.00 11.18 C ATOM 1002 C GLU A 136 18.145 -4.178 4.596 1.00 20.95 C ATOM 1003 O GLU A 136 18.247 -5.254 5.127 1.00 26.22 O ATOM 1004 CB GLU A 136 16.885 -3.951 2.551 1.00 11.70 C ATOM 1005 CG GLU A 136 16.032 -5.129 2.111 1.00 60.96 C ATOM 1006 CD GLU A 136 16.707 -5.986 1.074 1.00 80.00 C ATOM 1007 OE1 GLU A 136 17.960 -6.097 1.104 1.00 58.01 O ATOM 1008 OE2 GLU A 136 15.985 -6.545 0.206 1.00 80.00 O ATOM 0 H GLU A 136 16.783 -1.770 3.620 1.00 16.38 H new ATOM 0 HA GLU A 136 16.032 -4.121 4.421 1.00 11.18 H new ATOM 0 HB2 GLU A 136 16.603 -3.157 2.071 1.00 11.70 H new ATOM 0 HB3 GLU A 136 17.808 -4.118 2.305 1.00 11.70 H new ATOM 0 HG2 GLU A 136 15.817 -5.674 2.884 1.00 60.96 H new ATOM 0 HG3 GLU A 136 15.192 -4.799 1.755 1.00 60.96 H new ATOM 1009 N LEU A 137 19.183 -3.398 4.493 1.00 14.01 N ATOM 1010 CA LEU A 137 20.491 -3.819 5.021 1.00 24.70 C ATOM 1011 C LEU A 137 20.429 -3.808 6.529 1.00 49.30 C ATOM 1012 O LEU A 137 21.010 -4.627 7.225 1.00 17.95 O ATOM 1013 CB LEU A 137 21.598 -2.886 4.501 1.00 4.27 C ATOM 1014 CG LEU A 137 22.855 -2.860 5.316 1.00 18.08 C ATOM 1015 CD1 LEU A 137 23.821 -3.877 4.725 1.00 15.80 C ATOM 1016 CD2 LEU A 137 23.433 -1.456 5.181 1.00 26.18 C ATOM 0 H LEU A 137 19.173 -2.620 4.126 1.00 14.01 H new ATOM 0 HA LEU A 137 20.701 -4.717 4.719 1.00 24.70 H new ATOM 0 HB2 LEU A 137 21.824 -3.151 3.595 1.00 4.27 H new ATOM 0 HB3 LEU A 137 21.243 -1.984 4.453 1.00 4.27 H new ATOM 0 HG LEU A 137 22.695 -3.075 6.248 1.00 18.08 H new ATOM 0 HD11 LEU A 137 24.644 -3.878 5.238 1.00 15.80 H new ATOM 0 HD12 LEU A 137 23.421 -4.760 4.756 1.00 15.80 H new ATOM 0 HD13 LEU A 137 24.015 -3.642 3.804 1.00 15.80 H new ATOM 0 HD21 LEU A 137 24.253 -1.392 5.696 1.00 26.18 H new ATOM 0 HD22 LEU A 137 23.622 -1.272 4.248 1.00 26.18 H new ATOM 0 HD23 LEU A 137 22.792 -0.809 5.514 1.00 26.18 H new ATOM 1017 N PHE A 138 19.644 -2.884 7.041 1.00 25.89 N ATOM 1018 CA PHE A 138 19.537 -2.781 8.503 1.00 38.41 C ATOM 1019 C PHE A 138 18.767 -3.997 9.048 1.00 25.48 C ATOM 1020 O PHE A 138 19.160 -4.606 10.052 1.00 29.40 O ATOM 1021 CB PHE A 138 18.841 -1.465 8.869 1.00 22.03 C ATOM 1022 CG PHE A 138 18.057 -1.520 10.181 1.00 16.20 C ATOM 1023 CD1 PHE A 138 18.721 -1.382 11.407 1.00 17.42 C ATOM 1024 CD2 PHE A 138 16.673 -1.702 10.152 1.00 15.76 C ATOM 1025 CE1 PHE A 138 17.995 -1.423 12.603 1.00 21.28 C ATOM 1026 CE2 PHE A 138 15.948 -1.745 11.346 1.00 9.88 C ATOM 1027 CZ PHE A 138 16.608 -1.604 12.572 1.00 11.46 C ATOM 0 H PHE A 138 19.176 -2.321 6.590 1.00 25.89 H new ATOM 0 HA PHE A 138 20.420 -2.779 8.905 1.00 38.41 H new ATOM 0 HB2 PHE A 138 19.508 -0.763 8.931 1.00 22.03 H new ATOM 0 HB3 PHE A 138 18.236 -1.219 8.152 1.00 22.03 H new ATOM 0 HD1 PHE A 138 19.643 -1.263 11.426 1.00 17.42 H new ATOM 0 HD2 PHE A 138 16.233 -1.795 9.338 1.00 15.76 H new ATOM 0 HE1 PHE A 138 18.434 -1.330 13.417 1.00 21.28 H new ATOM 0 HE2 PHE A 138 15.026 -1.867 11.326 1.00 9.88 H new ATOM 0 HZ PHE A 138 16.125 -1.631 13.366 1.00 11.46 H new ATOM 1028 N ARG A 139 17.682 -4.329 8.364 1.00 16.11 N ATOM 1029 CA ARG A 139 16.824 -5.480 8.722 1.00 13.00 C ATOM 1030 C ARG A 139 17.658 -6.768 8.761 1.00 22.16 C ATOM 1031 O ARG A 139 17.546 -7.579 9.685 1.00 17.04 O ATOM 1032 CB ARG A 139 15.740 -5.675 7.656 1.00 12.91 C ATOM 1033 CG ARG A 139 14.293 -5.669 8.179 1.00 80.00 C ATOM 1034 CD ARG A 139 13.279 -5.834 7.032 1.00 45.88 C ATOM 1035 NE ARG A 139 13.585 -4.948 5.901 1.00 28.71 N ATOM 1036 CZ ARG A 139 13.168 -5.086 4.630 1.00 33.02 C ATOM 1037 NH1 ARG A 139 12.382 -6.096 4.243 1.00 80.00 N ATOM 0 H ARG A 139 17.411 -3.897 7.672 1.00 16.11 H new ATOM 0 HA ARG A 139 16.428 -5.301 9.589 1.00 13.00 H new ATOM 0 HB2 ARG A 139 15.831 -4.974 6.992 1.00 12.91 H new ATOM 0 HB3 ARG A 139 15.901 -6.518 7.203 1.00 12.91 H new ATOM 0 HG2 ARG A 139 14.177 -6.387 8.821 1.00 80.00 H new ATOM 0 HG3 ARG A 139 14.120 -4.838 8.648 1.00 80.00 H new ATOM 0 HD2 ARG A 139 13.280 -6.756 6.730 1.00 45.88 H new ATOM 0 HD3 ARG A 139 12.386 -5.643 7.360 1.00 45.88 H new ATOM 0 HE ARG A 139 14.084 -4.268 6.070 1.00 28.71 H new ATOM 0 HH11 ARG A 139 12.126 -6.685 4.815 1.00 80.00 H new ATOM 0 HH12 ARG A 139 12.132 -6.156 3.422 1.00 80.00 H new ATOM 1038 N ASN A 140 18.481 -6.925 7.737 1.00 17.49 N ATOM 1039 CA ASN A 140 19.333 -8.117 7.582 1.00 12.71 C ATOM 1040 C ASN A 140 20.349 -8.212 8.715 1.00 12.63 C ATOM 1041 O ASN A 140 20.527 -9.283 9.316 1.00 30.33 O ATOM 1042 CB ASN A 140 20.067 -8.066 6.251 1.00 21.98 C ATOM 1043 CG ASN A 140 19.129 -8.362 5.097 1.00 55.16 C ATOM 1044 OD1 ASN A 140 17.933 -8.544 5.326 1.00 24.82 O ATOM 1045 ND2 ASN A 140 19.599 -8.420 3.871 1.00 47.77 N ATOM 0 H ASN A 140 18.569 -6.348 7.106 1.00 17.49 H new ATOM 0 HA ASN A 140 18.761 -8.900 7.609 1.00 12.71 H new ATOM 0 HB2 ASN A 140 20.465 -7.189 6.131 1.00 21.98 H new ATOM 0 HB3 ASN A 140 20.793 -8.709 6.254 1.00 21.98 H new ATOM 0 HD21 ASN A 140 19.069 -8.587 3.215 1.00 47.77 H new ATOM 0 HD22 ASN A 140 20.437 -8.291 3.725 1.00 47.77 H new ATOM 1046 N ASP A 141 21.084 -7.199 8.873 1.00 10.64 N ATOM 1047 CA ASP A 141 22.110 -7.118 9.917 1.00 7.02 C ATOM 1048 C ASP A 141 21.438 -7.300 11.265 1.00 12.60 C ATOM 1049 O ASP A 141 21.965 -7.942 12.166 1.00 20.04 O ATOM 1050 CB ASP A 141 22.891 -5.791 9.840 1.00 32.71 C ATOM 1051 CG ASP A 141 23.881 -5.742 8.727 1.00 38.78 C ATOM 1052 OD1 ASP A 141 23.994 -6.796 8.072 1.00 18.61 O ATOM 1053 OD2 ASP A 141 24.539 -4.679 8.487 1.00 27.96 O ATOM 0 H ASP A 141 21.031 -6.495 8.382 1.00 10.64 H new ATOM 0 HA ASP A 141 22.764 -7.823 9.787 1.00 7.02 H new ATOM 0 HB2 ASP A 141 22.262 -5.060 9.735 1.00 32.71 H new ATOM 0 HB3 ASP A 141 23.354 -5.648 10.680 1.00 32.71 H new ATOM 1054 N MET A 142 20.232 -6.765 11.438 1.00 10.14 N ATOM 1055 CA MET A 142 19.584 -6.992 12.725 1.00 12.78 C ATOM 1056 C MET A 142 19.338 -8.519 12.896 1.00 21.91 C ATOM 1057 O MET A 142 19.721 -9.193 13.866 1.00 18.92 O ATOM 1058 CB MET A 142 18.237 -6.200 12.792 1.00 9.48 C ATOM 1059 CG MET A 142 18.374 -4.731 13.226 1.00 28.39 C ATOM 1060 SD MET A 142 18.603 -4.562 15.021 1.00 24.26 S ATOM 1061 CE MET A 142 16.897 -4.660 15.676 1.00 7.79 C ATOM 0 H MET A 142 19.795 -6.297 10.864 1.00 10.14 H new ATOM 0 HA MET A 142 20.152 -6.677 13.445 1.00 12.78 H new ATOM 0 HB2 MET A 142 17.816 -6.228 11.919 1.00 9.48 H new ATOM 0 HB3 MET A 142 17.641 -6.652 13.409 1.00 9.48 H new ATOM 0 HG2 MET A 142 19.128 -4.329 12.766 1.00 28.39 H new ATOM 0 HG3 MET A 142 17.582 -4.241 12.955 1.00 28.39 H new ATOM 0 HE1 MET A 142 16.916 -4.578 16.642 1.00 7.79 H new ATOM 0 HE2 MET A 142 16.365 -3.941 15.302 1.00 7.79 H new ATOM 0 HE3 MET A 142 16.505 -5.513 15.432 1.00 7.79 H new ATOM 1062 N ALA A 143 18.700 -9.108 11.897 1.00 21.49 N ATOM 1063 CA ALA A 143 18.411 -10.508 11.912 1.00 14.37 C ATOM 1064 C ALA A 143 19.647 -11.367 12.171 1.00 40.08 C ATOM 1065 O ALA A 143 19.659 -12.377 12.882 1.00 23.03 O ATOM 1066 CB ALA A 143 17.593 -10.844 10.662 1.00 19.40 C ATOM 0 H ALA A 143 18.426 -8.696 11.193 1.00 21.49 H new ATOM 0 HA ALA A 143 17.857 -10.737 12.675 1.00 14.37 H new ATOM 0 HB1 ALA A 143 17.387 -11.792 10.655 1.00 19.40 H new ATOM 0 HB2 ALA A 143 16.768 -10.334 10.668 1.00 19.40 H new ATOM 0 HB3 ALA A 143 18.105 -10.619 9.870 1.00 19.40 H new ATOM 1067 N SER A 144 20.741 -10.954 11.606 1.00 18.96 N ATOM 1068 CA SER A 144 21.921 -11.733 11.836 1.00 19.99 C ATOM 1069 C SER A 144 22.373 -11.652 13.285 1.00 53.21 C ATOM 1070 O SER A 144 22.736 -12.657 13.927 1.00 30.27 O ATOM 1071 CB SER A 144 23.003 -11.291 10.857 1.00 13.06 C ATOM 1072 OG SER A 144 22.407 -11.127 9.579 1.00 80.00 O ATOM 0 H SER A 144 20.828 -10.259 11.107 1.00 18.96 H new ATOM 0 HA SER A 144 21.727 -12.670 11.677 1.00 19.99 H new ATOM 0 HB2 SER A 144 23.406 -10.459 11.151 1.00 13.06 H new ATOM 0 HB3 SER A 144 23.713 -11.951 10.817 1.00 13.06 H new ATOM 0 HG SER A 144 22.068 -10.360 9.524 1.00 80.00 H new ATOM 1073 N LYS A 145 22.356 -10.424 13.804 1.00 12.73 N ATOM 1074 CA LYS A 145 22.780 -10.225 15.188 1.00 22.16 C ATOM 1075 C LYS A 145 21.933 -10.945 16.183 1.00 23.26 C ATOM 1076 O LYS A 145 22.428 -11.348 17.253 1.00 22.68 O ATOM 1077 CB LYS A 145 22.978 -8.804 15.669 1.00 24.37 C ATOM 1078 CG LYS A 145 24.460 -8.498 15.747 1.00 23.77 C ATOM 0 H LYS A 145 22.110 -9.714 13.386 1.00 12.73 H new ATOM 0 HA LYS A 145 23.667 -10.616 15.142 1.00 22.16 H new ATOM 0 HB2 LYS A 145 22.541 -8.184 15.064 1.00 24.37 H new ATOM 0 HB3 LYS A 145 22.568 -8.687 16.540 1.00 24.37 H new ATOM 1079 N TYR A 146 20.656 -11.045 15.803 1.00 13.32 N ATOM 1080 CA TYR A 146 19.655 -11.708 16.618 1.00 27.07 C ATOM 1081 C TYR A 146 20.136 -13.146 16.957 1.00 21.62 C ATOM 1082 O TYR A 146 20.020 -13.635 18.058 1.00 19.94 O ATOM 1083 CB TYR A 146 18.338 -11.734 15.815 1.00 6.90 C ATOM 1084 CG TYR A 146 17.373 -10.605 16.045 1.00 18.90 C ATOM 1085 CD1 TYR A 146 17.701 -9.378 16.639 1.00 19.94 C ATOM 1086 CD2 TYR A 146 16.078 -10.810 15.575 1.00 31.41 C ATOM 1087 CE1 TYR A 146 16.753 -8.366 16.804 1.00 18.97 C ATOM 1088 CE2 TYR A 146 15.120 -9.811 15.701 1.00 10.45 C ATOM 1089 CZ TYR A 146 15.465 -8.611 16.324 1.00 18.55 C ATOM 1090 OH TYR A 146 14.450 -7.730 16.455 1.00 19.31 O ATOM 0 H TYR A 146 20.353 -10.728 15.063 1.00 13.32 H new ATOM 0 HA TYR A 146 19.514 -11.238 17.455 1.00 27.07 H new ATOM 0 HB2 TYR A 146 18.561 -11.751 14.871 1.00 6.90 H new ATOM 0 HB3 TYR A 146 17.881 -12.566 16.014 1.00 6.90 H new ATOM 0 HD1 TYR A 146 18.572 -9.234 16.931 1.00 19.94 H new ATOM 0 HD2 TYR A 146 15.853 -11.619 15.175 1.00 31.41 H new ATOM 0 HE1 TYR A 146 16.971 -7.562 17.217 1.00 18.97 H new ATOM 0 HE2 TYR A 146 14.259 -9.941 15.374 1.00 10.45 H new ATOM 0 HH TYR A 146 13.717 -8.140 16.424 1.00 19.31 H new ATOM 1091 N LYS A 147 20.720 -13.824 15.984 1.00 15.49 N ATOM 1092 CA LYS A 147 21.215 -15.163 16.146 1.00 33.29 C ATOM 1093 C LYS A 147 22.260 -15.292 17.233 1.00 27.12 C ATOM 1094 O LYS A 147 22.324 -16.310 17.897 1.00 23.63 O ATOM 1095 CB LYS A 147 21.646 -15.774 14.820 1.00 38.22 C ATOM 0 H LYS A 147 20.839 -13.505 15.194 1.00 15.49 H new ATOM 0 HA LYS A 147 20.466 -15.693 16.462 1.00 33.29 H new ATOM 1096 N GLU A 148 23.077 -14.260 17.437 1.00 18.17 N ATOM 1097 CA GLU A 148 24.096 -14.335 18.460 1.00 10.33 C ATOM 1098 C GLU A 148 23.558 -14.181 19.850 1.00 15.24 C ATOM 1099 O GLU A 148 24.350 -14.066 20.803 1.00 20.52 O ATOM 1100 CB GLU A 148 25.110 -13.202 18.277 1.00 11.32 C ATOM 1101 CG GLU A 148 25.645 -13.213 16.839 1.00 20.63 C ATOM 1102 CD GLU A 148 26.836 -12.342 16.587 1.00 39.29 C ATOM 1103 OE1 GLU A 148 27.433 -11.795 17.554 1.00 63.43 O ATOM 1104 OE2 GLU A 148 27.244 -12.316 15.395 1.00 46.15 O ATOM 0 H GLU A 148 23.053 -13.521 16.997 1.00 18.17 H new ATOM 0 HA GLU A 148 24.491 -15.215 18.361 1.00 10.33 H new ATOM 0 HB2 GLU A 148 24.692 -12.348 18.469 1.00 11.32 H new ATOM 0 HB3 GLU A 148 25.842 -13.307 18.905 1.00 11.32 H new ATOM 0 HG2 GLU A 148 25.876 -14.125 16.603 1.00 20.63 H new ATOM 0 HG3 GLU A 148 24.931 -12.938 16.243 1.00 20.63 H new ATOM 1105 N PHE A 149 22.240 -14.137 19.941 1.00 20.90 N ATOM 1106 CA PHE A 149 21.613 -13.964 21.227 1.00 20.99 C ATOM 1107 C PHE A 149 20.618 -15.080 21.435 1.00 34.45 C ATOM 1108 O PHE A 149 19.812 -15.109 22.377 1.00 16.05 O ATOM 1109 CB PHE A 149 20.873 -12.590 21.327 1.00 25.52 C ATOM 1110 CG PHE A 149 21.728 -11.383 21.090 1.00 30.73 C ATOM 1111 CD1 PHE A 149 22.828 -11.127 21.908 1.00 20.20 C ATOM 1112 CD2 PHE A 149 21.427 -10.468 20.088 1.00 15.01 C ATOM 1113 CE1 PHE A 149 23.639 -10.017 21.705 1.00 29.58 C ATOM 1114 CE2 PHE A 149 22.233 -9.347 19.867 1.00 18.73 C ATOM 1115 CZ PHE A 149 23.340 -9.121 20.681 1.00 14.92 C ATOM 0 H PHE A 149 21.699 -14.205 19.276 1.00 20.90 H new ATOM 0 HA PHE A 149 22.302 -13.983 21.909 1.00 20.99 H new ATOM 0 HB2 PHE A 149 20.146 -12.584 20.685 1.00 25.52 H new ATOM 0 HB3 PHE A 149 20.474 -12.518 22.208 1.00 25.52 H new ATOM 0 HD1 PHE A 149 23.023 -11.712 22.604 1.00 20.20 H new ATOM 0 HD2 PHE A 149 20.677 -10.604 19.555 1.00 15.01 H new ATOM 0 HE1 PHE A 149 24.378 -9.873 22.250 1.00 29.58 H new ATOM 0 HE2 PHE A 149 22.031 -8.755 19.179 1.00 18.73 H new ATOM 0 HZ PHE A 149 23.878 -8.375 20.542 1.00 14.92 H new ATOM 1116 N GLY A 150 20.679 -15.985 20.485 1.00 17.89 N ATOM 1117 CA GLY A 150 19.815 -17.134 20.526 1.00 13.22 C ATOM 1118 C GLY A 150 18.393 -16.874 20.128 1.00 22.83 C ATOM 1119 O GLY A 150 17.552 -17.714 20.378 1.00 20.53 O ATOM 0 H GLY A 150 21.212 -15.952 19.811 1.00 17.89 H new ATOM 0 HA2 GLY A 150 20.180 -17.817 19.942 1.00 13.22 H new ATOM 0 HA3 GLY A 150 19.824 -17.496 21.426 1.00 13.22 H new ATOM 1120 N PHE A 151 18.125 -15.739 19.504 1.00 19.27 N ATOM 1121 CA PHE A 151 16.758 -15.424 19.109 1.00 8.02 C ATOM 1122 C PHE A 151 16.602 -15.635 17.616 1.00 21.70 C ATOM 1123 O PHE A 151 17.482 -15.332 16.822 1.00 21.55 O ATOM 1124 CB PHE A 151 16.414 -13.988 19.581 1.00 28.56 C ATOM 1125 CG PHE A 151 15.104 -13.424 19.076 1.00 24.54 C ATOM 1126 CD1 PHE A 151 13.902 -13.989 19.496 1.00 27.22 C ATOM 1127 CD2 PHE A 151 15.063 -12.318 18.228 1.00 35.58 C ATOM 1128 CE1 PHE A 151 12.680 -13.490 19.053 1.00 40.63 C ATOM 1129 CE2 PHE A 151 13.851 -11.807 17.772 1.00 37.44 C ATOM 1130 CZ PHE A 151 12.660 -12.389 18.199 1.00 32.79 C ATOM 0 H PHE A 151 18.710 -15.142 19.301 1.00 19.27 H new ATOM 0 HA PHE A 151 16.120 -16.018 19.535 1.00 8.02 H new ATOM 0 HB2 PHE A 151 16.398 -13.980 20.551 1.00 28.56 H new ATOM 0 HB3 PHE A 151 17.130 -13.395 19.304 1.00 28.56 H new ATOM 0 HD1 PHE A 151 13.916 -14.711 20.082 1.00 27.22 H new ATOM 0 HD2 PHE A 151 15.858 -11.915 17.963 1.00 35.58 H new ATOM 0 HE1 PHE A 151 11.884 -13.888 19.325 1.00 40.63 H new ATOM 0 HE2 PHE A 151 13.837 -11.084 17.188 1.00 37.44 H new ATOM 0 HZ PHE A 151 11.847 -12.041 17.913 1.00 32.79 H new ATOM 1131 N GLN A 152 15.481 -16.154 17.216 1.00 31.79 N ATOM 1132 CA GLN A 152 15.273 -16.433 15.813 1.00 30.53 C ATOM 1133 C GLN A 152 14.820 -15.309 14.874 1.00 49.00 C ATOM 1134 O GLN A 152 15.562 -14.981 13.942 1.00 64.40 O ATOM 0 H GLN A 152 14.822 -16.356 17.731 1.00 31.79 H new ATOM 1135 N GLY A 153 13.605 -14.727 15.083 1.00 50.41 N ATOM 1136 CA GLY A 153 13.070 -13.644 14.225 1.00 58.96 C ATOM 1137 C GLY A 153 11.742 -13.966 13.542 1.00 28.50 C ATOM 1138 O GLY A 153 11.194 -14.933 14.071 1.00 56.97 O ATOM 1139 OXT GLY A 153 11.254 -13.267 12.598 0.71 56.05 O ATOM 0 H GLY A 153 13.078 -14.953 15.724 1.00 50.41 H new ATOM 0 HA2 GLY A 153 12.957 -12.846 14.765 1.00 58.96 H new ATOM 0 HA3 GLY A 153 13.727 -13.434 13.543 1.00 58.96 H new TER 1140 GLY A 153 HETATM 1141 CHA HEM A 155 12.337 0.270 22.442 1.00 16.40 C HETATM 1142 CHB HEM A 155 14.593 1.352 18.395 1.00 9.03 C HETATM 1143 CHC HEM A 155 11.554 -1.362 15.814 1.00 10.52 C HETATM 1144 CHD HEM A 155 9.395 -2.576 19.951 1.00 11.32 C HETATM 1145 C1A HEM A 155 13.108 0.898 21.482 1.00 24.07 C HETATM 1146 C2A HEM A 155 14.335 1.553 21.819 1.00 6.19 C HETATM 1147 C3A HEM A 155 14.916 2.031 20.703 1.00 7.35 C HETATM 1148 C4A HEM A 155 14.079 1.476 19.653 1.00 17.24 C HETATM 1149 CMA HEM A 155 16.085 3.051 20.435 1.00 5.85 C HETATM 1150 CAA HEM A 155 14.702 1.717 23.300 1.00 17.84 C HETATM 1151 CBA HEM A 155 16.118 1.223 23.626 1.00 24.18 C HETATM 1152 CGA HEM A 155 16.209 -0.277 23.597 1.00 18.18 C HETATM 1153 O1A HEM A 155 15.427 -0.930 24.344 1.00 24.81 O HETATM 1154 O2A HEM A 155 17.074 -0.758 22.849 1.00 36.93 O HETATM 1155 C1B HEM A 155 13.911 0.829 17.314 1.00 20.51 C HETATM 1156 C2B HEM A 155 14.327 0.819 15.891 1.00 10.88 C HETATM 1157 C3B HEM A 155 13.449 0.060 15.215 1.00 9.85 C HETATM 1158 C4B HEM A 155 12.676 -0.643 16.208 1.00 16.97 C HETATM 1159 CMB HEM A 155 15.404 1.715 15.194 1.00 15.99 C HETATM 1160 CAB HEM A 155 13.186 0.165 13.686 1.00 12.34 C HETATM 1161 CBB HEM A 155 13.855 -0.546 12.897 1.00 67.42 C HETATM 1162 C1C HEM A 155 10.729 -2.068 16.682 1.00 17.32 C HETATM 1163 C2C HEM A 155 9.484 -2.709 16.313 1.00 14.79 C HETATM 1164 C3C HEM A 155 8.932 -3.104 17.482 1.00 10.38 C HETATM 1165 C4C HEM A 155 9.687 -2.549 18.599 1.00 22.38 C HETATM 1166 CMC HEM A 155 8.934 -3.017 14.910 1.00 4.88 C HETATM 1167 CAC HEM A 155 7.724 -4.022 17.592 1.00 8.84 C HETATM 1168 CBC HEM A 155 6.596 -3.518 18.033 1.00 55.79 C HETATM 1169 C1D HEM A 155 10.128 -2.034 20.996 1.00 13.91 C HETATM 1170 C2D HEM A 155 9.773 -2.226 22.415 1.00 12.96 C HETATM 1171 C3D HEM A 155 10.565 -1.434 23.114 1.00 14.31 C HETATM 1172 C4D HEM A 155 11.556 -0.844 22.192 1.00 14.70 C HETATM 1173 CMD HEM A 155 8.716 -3.220 22.972 1.00 16.29 C HETATM 1174 CAD HEM A 155 10.389 -1.191 24.622 1.00 18.88 C HETATM 1175 CBD HEM A 155 9.790 0.183 24.946 1.00 16.66 C HETATM 1176 CGD HEM A 155 9.669 0.353 26.430 1.00 17.45 C HETATM 1177 O1D HEM A 155 8.578 0.720 26.829 1.00 22.04 O HETATM 1178 O2D HEM A 155 10.535 -0.131 27.185 1.00 54.73 O HETATM 1179 NA HEM A 155 13.274 0.491 20.195 1.00 14.76 N HETATM 1180 NB HEM A 155 12.926 -0.079 17.492 1.00 6.47 N HETATM 1181 NC HEM A 155 10.767 -1.909 18.093 1.00 5.70 N HETATM 1182 ND HEM A 155 11.268 -1.243 20.910 1.00 17.34 N HETATM 1183 FE HEM A 155 12.027 -0.681 19.220 1.00 15.53 FE HETATM 0 HMA1 HEM A 155 16.191 3.632 21.205 1.00 5.85 H new HETATM 0 HMA2 HEM A 155 15.875 3.586 19.653 1.00 5.85 H new HETATM 0 HMA3 HEM A 155 16.910 2.565 20.282 1.00 5.85 H new HETATM 0 HMB1 HEM A 155 15.803 1.227 14.457 1.00 15.99 H new HETATM 0 HMB2 HEM A 155 16.093 1.951 15.835 1.00 15.99 H new HETATM 0 HMB3 HEM A 155 14.985 2.523 14.858 1.00 15.99 H new HETATM 0 HMC1 HEM A 155 9.257 -2.352 14.282 1.00 4.88 H new HETATM 0 HMC2 HEM A 155 7.964 -2.997 14.931 1.00 4.88 H new HETATM 0 HMC3 HEM A 155 9.233 -3.897 14.631 1.00 4.88 H new HETATM 0 HMD1 HEM A 155 8.977 -3.505 23.862 1.00 16.29 H new HETATM 0 HMD2 HEM A 155 8.659 -3.993 22.389 1.00 16.29 H new HETATM 0 HMD3 HEM A 155 7.851 -2.783 23.014 1.00 16.29 H new HETATM 0 HBB1 HEM A 155 13.699 -0.488 11.941 1.00 67.42 H new HETATM 0 HBB2 HEM A 155 14.528 -1.153 13.243 1.00 67.42 H new HETATM 0 HBC1 HEM A 155 5.811 -4.082 18.113 1.00 55.79 H new HETATM 0 HBC2 HEM A 155 6.547 -2.581 18.280 1.00 55.79 H new HETATM 0 HBA1 HEM A 155 16.379 1.546 24.503 1.00 24.18 H new HETATM 0 HBA2 HEM A 155 16.746 1.597 22.988 1.00 24.18 H new HETATM 0 HAA1 HEM A 155 14.062 1.230 23.842 1.00 17.84 H new HETATM 0 HAA2 HEM A 155 14.627 2.653 23.545 1.00 17.84 H new HETATM 0 HBD1 HEM A 155 8.918 0.270 24.531 1.00 16.66 H new HETATM 0 HBD2 HEM A 155 10.351 0.884 24.577 1.00 16.66 H new HETATM 0 HAD1 HEM A 155 11.251 -1.273 25.060 1.00 18.88 H new HETATM 0 HAD2 HEM A 155 9.817 -1.882 24.990 1.00 18.88 H new HETATM 0 HHA HEM A 155 12.344 0.616 23.305 1.00 16.40 H new HETATM 0 HHB HEM A 155 15.466 1.641 18.255 1.00 9.03 H new HETATM 0 HHC HEM A 155 11.341 -1.372 14.909 1.00 10.52 H new HETATM 0 HHD HEM A 155 8.609 -3.012 20.189 1.00 11.32 H new HETATM 0 HAB HEM A 155 12.512 0.774 13.345 1.00 12.34 H new HETATM 0 HAC HEM A 155 7.786 -4.957 17.342 1.00 8.84 H new HETATM 1184 O HOH A 201 18.741 12.090 13.284 1.00 17.84 O HETATM 1185 O HOH A 202 9.800 -5.280 26.357 1.00 30.62 O HETATM 1186 O HOH A 203 22.944 16.698 14.420 1.00 30.96 O HETATM 1187 O HOH A 204 6.111 -0.948 26.164 1.00 27.24 O HETATM 1188 O HOH A 205 18.729 4.738 -6.071 1.00 22.77 O HETATM 1189 O HOH A 206 19.016 1.817 -5.285 1.00 25.22 O HETATM 1190 O HOH A 209 28.379 13.171 0.783 1.00 21.56 O HETATM 1191 O HOH A 213 23.558 2.188 8.190 1.00 16.05 O HETATM 1192 O HOH A 214 20.243 10.610 15.169 1.00 20.19 O HETATM 1193 O HOH A 216 -1.145 2.218 27.954 1.00 47.45 O HETATM 1194 O HOH A 218 21.926 13.090 7.395 1.00 34.53 O HETATM 1195 O HOH A 221 13.240 -1.562 3.197 1.00 41.91 O HETATM 1196 O HOH A 224 23.607 10.667 -5.518 1.00 29.18 O HETATM 1197 O HOH A 225 26.499 7.868 13.511 1.00 31.69 O HETATM 1198 O HOH A 226 21.200 -3.013 24.639 1.00 27.27 O HETATM 1199 O HOH A 227 10.647 10.884 -9.324 1.00 42.83 O HETATM 1200 O HOH A 228 19.838 -3.669 0.310 1.00 40.67 O HETATM 1201 O HOH A 229 14.884 11.760 -6.074 1.00 35.87 O HETATM 1202 O HOH A 230 21.629 0.348 7.288 1.00 25.82 O HETATM 1203 O HOH A 231 23.276 13.996 15.333 1.00 33.39 O HETATM 1204 O HOH A 232 19.619 -5.096 26.318 1.00 39.05 O HETATM 1205 O HOH A 234 33.710 0.403 4.708 1.00 29.77 O HETATM 1206 O HOH A 237 22.147 9.724 -8.551 1.00 39.66 O HETATM 1207 O HOH A 238 9.318 12.825 -7.665 1.00 56.34 O HETATM 1208 O HOH A 240 5.199 7.952 -3.162 1.00 55.46 O HETATM 1209 O HOH A 245 22.406 16.678 11.626 1.00 33.71 O HETATM 1210 O HOH A 249 25.847 14.276 11.651 1.00 42.79 O HETATM 1211 O HOH A 250 24.784 13.172 -7.708 1.00 50.69 O HETATM 1212 O HOH A 251 11.030 22.686 11.574 1.00 34.49 O HETATM 1213 O HOH A 259 5.283 13.366 -4.923 1.00 44.22 O HETATM 1214 O HOH A 261 19.964 17.633 2.171 1.00 54.95 O HETATM 1215 O HOH A 263 25.293 10.347 14.369 1.00 56.41 O HETATM 1216 O HOH A 267 17.430 20.443 6.566 1.00 34.08 O HETATM 1217 O HOH A 269 14.950 21.529 2.622 1.00 61.09 O HETATM 1218 O HOH A 271 28.891 -2.806 9.884 1.00 41.02 O HETATM 1219 O HOH A 282 1.990 16.828 11.172 1.00 80.00 O HETATM 1220 O HOH A 283 6.709 -3.903 26.365 1.00 47.47 O HETATM 1221 O HOH A 285 19.319 20.472 4.049 1.00 80.00 O HETATM 1222 O HOH A 287 7.990 0.807 -2.152 1.00 59.64 O HETATM 1223 O HOH A 289 2.151 -9.713 21.801 1.00 52.62 O HETATM 1224 O HOH A 291 30.453 9.883 6.641 1.00 62.38 O HETATM 1225 O HOH A 297 22.428 -4.614 0.932 1.00 47.77 O HETATM 1226 O HOH A 299 29.363 5.485 -5.511 1.00 73.05 O HETATM 1227 O HOH A 301 15.339 -4.737 32.358 1.00 43.61 O HETATM 1228 O HOH A 302 29.211 -9.931 16.293 1.00 77.49 O HETATM 1229 O HOH A 307 11.347 6.361 24.719 1.00 47.28 O HETATM 1230 O HOH A 312 10.243 57.450 5.531 1.00 47.08 O HETATM 1231 O HOH A 315 8.458 3.928 -2.364 1.00 47.04 O HETATM 1232 O HOH A 316 -11.642 1.569 27.899 1.00 78.53 O HETATM 1233 O HOH A 318 32.309 4.782 2.020 1.00 51.77 O HETATM 1234 O HOH A 323 35.358 6.972 3.848 1.00 72.46 O HETATM 1235 O HOH A 325 8.873 0.193 1.371 1.00 42.45 O HETATM 1236 O HOH A 326 26.016 11.964 8.404 1.00 52.81 O HETATM 1237 O HOH A 328 10.404 0.456 18.902 1.00 35.00 O HETATM 1238 O HOH A 329 1.389 10.573 19.964 1.00 35.54 O HETATM 1239 O HOH A 330 30.064 2.783 3.988 1.00 42.06 O HETATM 1240 O HOH A 331 -6.406 -0.290 13.147 1.00 41.06 O HETATM 1241 O HOH A 332 26.139 -12.410 21.971 1.00 42.68 O HETATM 1242 O HOH A 333 18.979 18.814 9.177 1.00 36.53 O HETATM 1243 O HOH A 334 15.972 14.006 -4.541 1.00 40.95 O HETATM 1244 O HOH A 335 10.233 13.730 21.671 1.00 31.92 O HETATM 1245 O HOH A 336 0.465 9.119 27.593 1.00 48.57 O HETATM 1246 O HOH A 337 17.370 6.488 20.437 1.00 40.87 O CONECT 690 1183 CONECT 1141 1145 1172 CONECT 1142 1148 1155 CONECT 1143 1158 1162 CONECT 1144 1165 1169 CONECT 1145 1141 1146 1179 CONECT 1146 1145 1147 1150 CONECT 1147 1146 1148 1149 CONECT 1148 1142 1147 1179 CONECT 1149 1147 CONECT 1150 1146 1151 CONECT 1151 1150 1152 CONECT 1152 1151 1153 1154 CONECT 1153 1152 CONECT 1154 1152 CONECT 1155 1142 1156 1180 CONECT 1156 1155 1157 1159 CONECT 1157 1156 1158 1160 CONECT 1158 1143 1157 1180 CONECT 1159 1156 CONECT 1160 1157 1161 CONECT 1161 1160 CONECT 1162 1143 1163 1181 CONECT 1163 1162 1164 1166 CONECT 1164 1163 1165 1167 CONECT 1165 1144 1164 1181 CONECT 1166 1163 CONECT 1167 1164 1168 CONECT 1168 1167 CONECT 1169 1144 1170 1182 CONECT 1170 1169 1171 1173 CONECT 1171 1170 1172 1174 CONECT 1172 1141 1171 1182 CONECT 1173 1170 CONECT 1174 1171 1175 CONECT 1175 1174 1176 CONECT 1176 1175 1177 1178 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1145 1148 1183 CONECT 1180 1155 1158 1183 CONECT 1181 1162 1165 1183 CONECT 1182 1169 1172 1183 CONECT 1183 690 1179 1180 1181 CONECT 1183 1182 1237 CONECT 1237 1183 END