USER MOD reduce.3.24.130724 H: found=0, std=0, add=1340, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER G PROTEIN 06-MAY-98 2RAP TITLE THE SMALL G PROTEIN RAP2A IN COMPLEX WITH GTP COMPND MOL_ID: 1; COMPND 2 MOLECULE: RAP2A; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1 - 166; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI K12; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 83333; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: K12; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PTAC32 (RAP2) AND PEMR602 KEYWDS G PROTEIN, GTP HYDROLYSIS, RAS, RAP2A EXPDTA X-RAY DIFFRACTION AUTHOR J.CHERFILS,J.MENETREY,G.LEBRAS REVDAT 5 24-FEB-09 2RAP 1 VERSN REVDAT 4 01-APR-03 2RAP 1 JRNL REVDAT 3 01-DEC-99 2RAP 1 KEYWDS REVDAT 2 29-NOV-99 2RAP 1 TITLE REVDAT 1 17-JUN-98 2RAP 0 JRNL AUTH J.CHERFILS,J.MENETREY,G.LE BRAS,I.JANOUEIX-LEROSEY, JRNL AUTH 2 J.DE GUNZBURG,J.R.GAREL,I.AUZAT JRNL TITL CRYSTAL STRUCTURES OF THE SMALL G PROTEIN RAP2A IN JRNL TITL 2 COMPLEX WITH ITS SUBSTRATE GTP, WITH GDP AND WITH JRNL TITL 3 GTPGAMMAS. JRNL REF EMBO J. V. 16 5582 1997 JRNL REFN ISSN 0261-4189 JRNL PMID 9312017 JRNL DOI 10.1093/EMBOJ/16.18.5582 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.5 REMARK 3 NUMBER OF REFLECTIONS : 6014 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.206 REMARK 3 FREE R VALUE : 0.281 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1329 REMARK 3 NUCLEIC ACID ATOMS : 32 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 13 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 2.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 2.30 REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2RAP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 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 : NULL REMARK 200 TEMPERATURE (KELVIN) : 278 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 2 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : LURE REMARK 200 BEAMLINE : DW21B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8828 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.5 REMARK 200 DATA REDUNDANCY : 5.000 REMARK 200 R MERGE (I) : 0.06500 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: DIFFERENCE FOURIER MAPS 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 (%): 53.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.67 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 8000, 100MM LISO4, 100MM REMARK 280 TRIS PH 8., PH 8.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 28.06667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 56.13333 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 42.10000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 70.16667 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 14.03333 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 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 ARG A 2 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 TYR A 71 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES REMARK 500 ARG A 105 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 TRP A 137 CD1 - CG - CD2 ANGL. DEV. = 6.6 DEGREES REMARK 500 TRP A 137 CE2 - CD2 - CG ANGL. DEV. = -5.4 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 TYR A 32 108.16 -58.18 REMARK 500 ILE A 36 -66.81 -91.02 REMARK 500 GLU A 62 -41.06 -24.60 REMARK 500 ASN A 86 97.90 -161.02 REMARK 500 LYS A 117 38.48 76.99 REMARK 500 LEU A 120 53.54 -100.36 REMARK 500 TYR A 165 52.51 -113.80 REMARK 500 REMARK 500 REMARK: NULL 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 MG A 181 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GTP A 180 O3G REMARK 620 2 SER A 17 OG 149.0 REMARK 620 3 THR A 35 OG1 85.6 125.1 REMARK 620 4 GTP A 180 O2B 80.0 69.1 164.5 REMARK 620 5 HOH A 223 O 80.0 93.3 107.4 75.8 REMARK 620 6 HOH A 224 O 79.2 95.0 89.3 82.6 152.2 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 MG A 181 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GTP A 180 DBREF 2RAP A 1 166 UNP P10114 RAP2A_HUMAN 1 167 SEQRES 1 A 167 MET ARG GLU TYR LYS VAL VAL VAL LEU GLY SER GLY GLY SEQRES 2 A 167 VAL GLY LYS SER ALA LEU THR VAL GLN PHE VAL THR GLY SEQRES 3 A 167 THR PHE ILE GLU LYS TYR ASP PRO THR ILE GLU ASP PHE SEQRES 4 A 167 TYR ARG LYS GLU ILE GLU VAL ASP SER SER PRO SER VAL SEQRES 5 A 167 LEU GLU ILE LEU ASP THR ALA GLY THR GLU GLN PHE ALA SEQRES 6 A 167 SER MET ARG ASP LEU TYR ILE LYS ASN GLY GLN GLY PHE SEQRES 7 A 167 ILE LEU VAL TYR SER LEU VAL ASN GLN GLN SER PHE GLN SEQRES 8 A 167 ASP ILE LYS PRO MET ARG ASP GLN ILE ILE ARG VAL LYS SEQRES 9 A 167 ARG TYR GLU LYS VAL PRO VAL ILE LEU VAL GLY ASN LYS SEQRES 10 A 167 VAL ASP LEU GLU SER GLU ARG GLU VAL SER SER SER GLU SEQRES 11 A 167 GLY ARG ALA LEU ALA GLU GLU TRP GLY CYS PRO PHE MET SEQRES 12 A 167 GLU THR SER ALA LYS SER LYS THR MET VAL ASP GLU LEU SEQRES 13 A 167 PHE ALA GLU ILE VAL ARG GLN MET ASN TYR ALA HET MG A 181 1 HET GTP A 180 32 HETNAM MG MAGNESIUM ION HETNAM GTP GUANOSINE-5'-TRIPHOSPHATE FORMUL 2 MG MG 2+ FORMUL 3 GTP C10 H16 N5 O14 P3 FORMUL 4 HOH *13(H2 O) HELIX 1 1 LYS A 16 THR A 25 1 10 HELIX 2 2 GLU A 62 LYS A 73 5 12 HELIX 3 3 GLN A 87 LYS A 104 1 18 HELIX 4 4 GLU A 121 GLU A 222 5 3 HELIX 5 5 SER A 127 GLU A 136 1 10 HELIX 6 6 LYS A 149 ASN A 164 1 16 SHEET 1 A 6 PRO A 140 THR A 144 0 SHEET 2 A 6 PRO A 110 ASN A 116 1 N LEU A 113 O PRO A 140 SHEET 3 A 6 GLY A 77 SER A 83 1 N PHE A 78 O PRO A 110 SHEET 4 A 6 ARG A 2 GLY A 10 1 N VAL A 7 O GLY A 77 SHEET 5 A 6 SER A 49 THR A 58 1 N VAL A 52 O ARG A 2 SHEET 6 A 6 GLU A 37 VAL A 46 -1 N VAL A 46 O SER A 49 LINK O3G GTP A 180 MG MG A 181 1555 1555 2.26 LINK MG MG A 181 OG SER A 17 1555 1555 1.72 LINK MG MG A 181 OG1 THR A 35 1555 1555 1.89 LINK MG MG A 181 O2B GTP A 180 1555 1555 2.61 LINK MG MG A 181 O HOH A 223 1555 1555 1.76 LINK MG MG A 181 O HOH A 224 1555 1555 1.72 SITE *** AC1 5 SER A 17 THR A 35 GTP A 180 HOH A 223 SITE *** AC1 5 HOH A 224 SITE *** AC2 21 GLY A 13 VAL A 14 GLY A 15 LYS A 16 SITE *** AC2 21 SER A 17 ALA A 18 PHE A 28 ILE A 29 SITE *** AC2 21 GLU A 30 TYR A 32 THR A 35 GLY A 60 SITE *** AC2 21 ASN A 116 LYS A 117 ASP A 119 LEU A 120 SITE *** AC2 21 SER A 145 ALA A 146 MG A 181 HOH A 223 SITE *** AC2 21 HOH A 224 CRYST1 64.500 64.500 84.200 90.00 90.00 120.00 P 61 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.015504 0.008951 0.000000 0.00000 SCALE2 0.000000 0.017902 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011876 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 148 SER OG : rot 141:sc= 0.0131 USER MOD Set 1.2: A 151 MET CE :methyl -150:sc= -1.24 (180deg=-3.54!) USER MOD Set 2.1: A 116 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.9) USER MOD Set 2.2: A 144 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 91 GLN : amide:sc= -0.0759 X(o=-0.1,f=-0.028) USER MOD Set 3.2: A 94 LYS NZ :NH3+ -136:sc= -0.026 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot -50:sc= 1.29 USER MOD Set 4.2: A 27 THR OG1 : rot -60:sc= 0.51 USER MOD Set 5.1: A 4 TYR OH : rot -6:sc= 0.975 USER MOD Set 5.2: A 164 ASN : amide:sc= 0.788 K(o=1.8,f=0.13!) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0825 (180deg=-0.0825) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.263 (180deg=0.103) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.122) USER MOD Single : A 11 SER OG : rot -155:sc= 0.562 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.837) USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.278 USER MOD Single : A 22 GLN : amide:sc=-9.72e-05 X(o=-9.7e-05,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -22:sc= 0.662 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 156:sc= -0.159 USER MOD Single : A 58 THR OG1 : rot -95:sc= 0.835 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00914 USER MOD Single : A 63 GLN : amide:sc= -0.0046 K(o=-0.0046,f=-0.91) USER MOD Single : A 66 SER OG : rot -77:sc= 0.105 USER MOD Single : A 67 MET CE :methyl -150:sc= 0 (180deg=-0.216) USER MOD Single : A 71 TYR OH : rot -18:sc= 1.68 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 76 GLN : amide:sc=0.000189 K(o=0.00019,f=-2.1) USER MOD Single : A 82 TYR OH : rot -147:sc= 1.43 USER MOD Single : A 83 SER OG : rot -170:sc= 1.15 USER MOD Single : A 86 ASN : amide:sc= -0.236 K(o=-0.24,f=-3.8!) USER MOD Single : A 87 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 88 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.023) USER MOD Single : A 89 SER OG : rot -50:sc= 0.913 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc=-0.00371 F(o=-2.1!,f=-0.0037) USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= 0.948 (180deg=0.67) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.15) USER MOD Single : A 122 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 127 SER OG : rot -72:sc= 0.0776 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 73:sc= 0.00361 USER MOD Single : A 142 MET CE :methyl -126:sc= -0.266 (180deg=-0.34) USER MOD Single : A 145 SER OG : rot -179:sc= -0.456 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ 141:sc= 0.0614 (180deg=0) USER MOD Single : A 150 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 162 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 163 MET CE :methyl -165:sc= -1.79 (180deg=-2.54) USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD Single : A 180 GTP O2' : rot -112:sc= -0.791 USER MOD Single : A 180 GTP O3' : rot 156:sc= 0.465 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.347 37.019 21.335 1.00 50.73 N ATOM 2 CA MET A 1 15.737 37.120 20.027 1.00 45.30 C ATOM 3 C MET A 1 15.955 35.698 19.546 1.00 41.78 C ATOM 4 O MET A 1 17.035 35.163 19.833 1.00 41.00 O ATOM 5 CB MET A 1 16.572 38.069 19.144 1.00 54.23 C ATOM 6 CG MET A 1 15.929 39.398 18.759 1.00 63.84 C ATOM 7 SD MET A 1 14.430 39.191 17.768 1.00 93.73 S ATOM 8 CE MET A 1 15.002 40.047 16.334 1.00 93.47 C ATOM 0 H1 MET A 1 16.622 37.824 21.598 1.00 50.73 H new ATOM 0 H2 MET A 1 15.752 36.705 21.917 1.00 50.73 H new ATOM 0 H3 MET A 1 17.043 36.466 21.296 1.00 50.73 H new ATOM 0 HA MET A 1 14.823 37.444 20.015 1.00 45.30 H new ATOM 0 HB2 MET A 1 17.403 38.259 19.607 1.00 54.23 H new ATOM 0 HB3 MET A 1 16.803 37.598 18.328 1.00 54.23 H new ATOM 0 HG2 MET A 1 15.713 39.893 19.565 1.00 63.84 H new ATOM 0 HG3 MET A 1 16.569 39.930 18.262 1.00 63.84 H new ATOM 0 HE1 MET A 1 14.307 40.045 15.657 1.00 93.47 H new ATOM 0 HE2 MET A 1 15.221 40.962 16.569 1.00 93.47 H new ATOM 0 HE3 MET A 1 15.793 39.605 15.987 1.00 93.47 H new ATOM 9 N ARG A 2 14.961 35.085 18.900 1.00 39.60 N ATOM 10 CA ARG A 2 15.142 33.791 18.258 1.00 36.34 C ATOM 11 C ARG A 2 16.143 33.913 17.121 1.00 40.02 C ATOM 12 O ARG A 2 16.277 34.989 16.528 1.00 44.37 O ATOM 13 CB ARG A 2 13.840 33.423 17.658 1.00 29.11 C ATOM 14 CG ARG A 2 13.366 32.055 18.033 1.00 23.30 C ATOM 15 CD ARG A 2 14.094 30.940 17.346 1.00 28.58 C ATOM 16 NE ARG A 2 13.132 29.859 17.218 1.00 31.59 N ATOM 17 CZ ARG A 2 13.431 28.708 16.619 1.00 50.85 C ATOM 18 NH1 ARG A 2 14.665 28.452 16.142 1.00 55.88 N ATOM 19 NH2 ARG A 2 12.444 27.819 16.479 1.00 55.43 N ATOM 0 H ARG A 2 14.168 35.409 18.824 1.00 39.60 H new ATOM 0 HA ARG A 2 15.455 33.138 18.904 1.00 36.34 H new ATOM 0 HB2 ARG A 2 13.173 34.073 17.930 1.00 29.11 H new ATOM 0 HB3 ARG A 2 13.912 33.478 16.692 1.00 29.11 H new ATOM 0 HG2 ARG A 2 13.458 31.944 18.992 1.00 23.30 H new ATOM 0 HG3 ARG A 2 12.420 31.984 17.828 1.00 23.30 H new ATOM 0 HD2 ARG A 2 14.420 31.221 16.477 1.00 28.58 H new ATOM 0 HD3 ARG A 2 14.866 30.659 17.861 1.00 28.58 H new ATOM 0 HE ARG A 2 12.342 29.966 17.540 1.00 31.59 H new ATOM 0 HH11 ARG A 2 15.287 29.041 16.220 1.00 55.88 H new ATOM 0 HH12 ARG A 2 14.831 27.700 15.759 1.00 55.88 H new ATOM 0 HH21 ARG A 2 11.656 28.002 16.770 1.00 55.43 H new ATOM 0 HH22 ARG A 2 12.597 27.064 16.097 1.00 55.43 H new ATOM 20 N GLU A 3 16.829 32.858 16.733 1.00 40.00 N ATOM 21 CA GLU A 3 17.896 33.004 15.775 1.00 38.00 C ATOM 22 C GLU A 3 17.900 31.718 15.001 1.00 35.62 C ATOM 23 O GLU A 3 17.752 30.639 15.572 1.00 39.60 O ATOM 24 CB GLU A 3 19.186 33.205 16.495 1.00 32.65 C ATOM 25 CG GLU A 3 20.312 33.530 15.554 1.00 62.20 C ATOM 26 CD GLU A 3 21.655 33.593 16.256 1.00 75.19 C ATOM 27 OE1 GLU A 3 21.832 34.461 17.116 1.00 84.41 O ATOM 28 OE2 GLU A 3 22.527 32.782 15.931 1.00 89.08 O ATOM 0 H GLU A 3 16.693 32.055 17.010 1.00 40.00 H new ATOM 0 HA GLU A 3 17.778 33.768 15.189 1.00 38.00 H new ATOM 0 HB2 GLU A 3 19.087 33.923 17.140 1.00 32.65 H new ATOM 0 HB3 GLU A 3 19.405 32.403 16.995 1.00 32.65 H new ATOM 0 HG2 GLU A 3 20.348 32.860 14.853 1.00 62.20 H new ATOM 0 HG3 GLU A 3 20.135 34.381 15.124 1.00 62.20 H new ATOM 29 N TYR A 4 17.977 31.862 13.688 1.00 35.75 N ATOM 30 CA TYR A 4 17.907 30.722 12.802 1.00 31.72 C ATOM 31 C TYR A 4 19.198 30.667 12.049 1.00 30.93 C ATOM 32 O TYR A 4 19.710 31.711 11.650 1.00 26.91 O ATOM 33 CB TYR A 4 16.809 30.884 11.812 1.00 28.51 C ATOM 34 CG TYR A 4 15.447 30.920 12.455 1.00 19.23 C ATOM 35 CD1 TYR A 4 14.756 29.745 12.649 1.00 11.71 C ATOM 36 CD2 TYR A 4 14.909 32.140 12.789 1.00 18.75 C ATOM 37 CE1 TYR A 4 13.478 29.779 13.159 1.00 20.94 C ATOM 38 CE2 TYR A 4 13.644 32.174 13.309 1.00 19.69 C ATOM 39 CZ TYR A 4 12.939 31.006 13.489 1.00 25.42 C ATOM 40 OH TYR A 4 11.661 31.102 13.996 1.00 40.43 O ATOM 0 H TYR A 4 18.071 32.619 13.290 1.00 35.75 H new ATOM 0 HA TYR A 4 17.745 29.919 13.321 1.00 31.72 H new ATOM 0 HB2 TYR A 4 16.948 31.703 11.312 1.00 28.51 H new ATOM 0 HB3 TYR A 4 16.843 30.153 11.175 1.00 28.51 H new ATOM 0 HD1 TYR A 4 15.152 28.931 12.436 1.00 11.71 H new ATOM 0 HD2 TYR A 4 15.394 32.924 12.664 1.00 18.75 H new ATOM 0 HE1 TYR A 4 12.991 28.996 13.278 1.00 20.94 H new ATOM 0 HE2 TYR A 4 13.260 32.988 13.541 1.00 19.69 H new ATOM 0 HH TYR A 4 11.293 30.347 13.972 1.00 40.43 H new ATOM 41 N LYS A 5 19.741 29.469 11.888 1.00 31.12 N ATOM 42 CA LYS A 5 20.965 29.262 11.136 1.00 32.73 C ATOM 43 C LYS A 5 20.612 28.541 9.843 1.00 31.93 C ATOM 44 O LYS A 5 20.150 27.396 9.894 1.00 25.61 O ATOM 45 CB LYS A 5 21.940 28.427 11.941 1.00 33.28 C ATOM 46 CG LYS A 5 22.504 29.200 13.104 1.00 32.96 C ATOM 47 CD LYS A 5 23.267 28.242 13.992 1.00 33.14 C ATOM 48 CE LYS A 5 24.404 28.971 14.690 1.00 60.81 C ATOM 49 NZ LYS A 5 23.952 30.102 15.488 1.00 79.86 N ATOM 0 H LYS A 5 19.406 28.748 12.215 1.00 31.12 H new ATOM 0 HA LYS A 5 21.383 30.116 10.943 1.00 32.73 H new ATOM 0 HB2 LYS A 5 21.492 27.631 12.267 1.00 33.28 H new ATOM 0 HB3 LYS A 5 22.664 28.131 11.367 1.00 33.28 H new ATOM 0 HG2 LYS A 5 23.090 29.906 12.788 1.00 32.96 H new ATOM 0 HG3 LYS A 5 21.790 29.627 13.603 1.00 32.96 H new ATOM 0 HD2 LYS A 5 22.669 27.854 14.650 1.00 33.14 H new ATOM 0 HD3 LYS A 5 23.619 27.510 13.462 1.00 33.14 H new ATOM 0 HE2 LYS A 5 24.878 28.347 15.262 1.00 60.81 H new ATOM 0 HE3 LYS A 5 25.037 29.284 14.025 1.00 60.81 H new ATOM 0 HZ1 LYS A 5 24.626 30.403 15.986 1.00 79.86 H new ATOM 0 HZ2 LYS A 5 23.669 30.751 14.949 1.00 79.86 H new ATOM 0 HZ3 LYS A 5 23.285 29.844 16.017 1.00 79.86 H new ATOM 50 N VAL A 6 20.799 29.221 8.701 1.00 31.21 N ATOM 51 CA VAL A 6 20.474 28.731 7.364 1.00 28.47 C ATOM 52 C VAL A 6 21.733 28.489 6.533 1.00 24.59 C ATOM 53 O VAL A 6 22.566 29.380 6.440 1.00 24.26 O ATOM 54 CB VAL A 6 19.553 29.779 6.711 1.00 32.17 C ATOM 55 CG1 VAL A 6 19.327 29.527 5.222 1.00 33.61 C ATOM 56 CG2 VAL A 6 18.217 29.772 7.421 1.00 21.18 C ATOM 0 H VAL A 6 21.133 30.013 8.691 1.00 31.21 H new ATOM 0 HA VAL A 6 20.025 27.873 7.416 1.00 28.47 H new ATOM 0 HB VAL A 6 19.992 30.640 6.794 1.00 32.17 H new ATOM 0 HG11 VAL A 6 18.743 30.213 4.863 1.00 33.61 H new ATOM 0 HG12 VAL A 6 20.178 29.551 4.757 1.00 33.61 H new ATOM 0 HG13 VAL A 6 18.917 28.657 5.100 1.00 33.61 H new ATOM 0 HG21 VAL A 6 17.631 30.430 7.015 1.00 21.18 H new ATOM 0 HG22 VAL A 6 17.815 28.892 7.346 1.00 21.18 H new ATOM 0 HG23 VAL A 6 18.347 29.989 8.357 1.00 21.18 H new ATOM 57 N VAL A 7 21.974 27.342 5.919 1.00 25.03 N ATOM 58 CA VAL A 7 23.122 27.169 5.031 1.00 28.14 C ATOM 59 C VAL A 7 22.555 27.122 3.620 1.00 27.25 C ATOM 60 O VAL A 7 21.609 26.378 3.344 1.00 25.90 O ATOM 61 CB VAL A 7 23.896 25.869 5.351 1.00 31.54 C ATOM 62 CG1 VAL A 7 25.132 25.702 4.504 1.00 31.42 C ATOM 63 CG2 VAL A 7 24.334 25.857 6.792 1.00 31.59 C ATOM 0 H VAL A 7 21.482 26.642 6.002 1.00 25.03 H new ATOM 0 HA VAL A 7 23.756 27.895 5.140 1.00 28.14 H new ATOM 0 HB VAL A 7 23.282 25.142 5.162 1.00 31.54 H new ATOM 0 HG11 VAL A 7 25.579 24.875 4.743 1.00 31.42 H new ATOM 0 HG12 VAL A 7 24.881 25.675 3.567 1.00 31.42 H new ATOM 0 HG13 VAL A 7 25.732 26.449 4.656 1.00 31.42 H new ATOM 0 HG21 VAL A 7 24.817 25.037 6.977 1.00 31.59 H new ATOM 0 HG22 VAL A 7 24.912 26.617 6.961 1.00 31.59 H new ATOM 0 HG23 VAL A 7 23.555 25.909 7.368 1.00 31.59 H new ATOM 64 N VAL A 8 23.076 27.936 2.718 1.00 23.83 N ATOM 65 CA VAL A 8 22.670 27.904 1.328 1.00 22.11 C ATOM 66 C VAL A 8 23.672 27.034 0.554 1.00 24.40 C ATOM 67 O VAL A 8 24.852 27.397 0.465 1.00 20.02 O ATOM 68 CB VAL A 8 22.621 29.343 0.825 1.00 31.62 C ATOM 69 CG1 VAL A 8 22.080 29.353 -0.590 1.00 41.94 C ATOM 70 CG2 VAL A 8 21.725 30.215 1.697 1.00 40.27 C ATOM 0 H VAL A 8 23.677 28.524 2.896 1.00 23.83 H new ATOM 0 HA VAL A 8 21.790 27.514 1.205 1.00 22.11 H new ATOM 0 HB VAL A 8 23.521 29.703 0.857 1.00 31.62 H new ATOM 0 HG11 VAL A 8 22.046 30.266 -0.917 1.00 41.94 H new ATOM 0 HG12 VAL A 8 22.660 28.826 -1.162 1.00 41.94 H new ATOM 0 HG13 VAL A 8 21.187 28.973 -0.598 1.00 41.94 H new ATOM 0 HG21 VAL A 8 21.717 31.121 1.349 1.00 40.27 H new ATOM 0 HG22 VAL A 8 20.823 29.859 1.692 1.00 40.27 H new ATOM 0 HG23 VAL A 8 22.064 30.221 2.606 1.00 40.27 H new ATOM 71 N LEU A 9 23.250 25.888 0.004 1.00 24.49 N ATOM 72 CA LEU A 9 24.132 24.905 -0.620 1.00 32.57 C ATOM 73 C LEU A 9 23.960 24.767 -2.131 1.00 36.03 C ATOM 74 O LEU A 9 22.841 24.930 -2.621 1.00 36.31 O ATOM 75 CB LEU A 9 23.843 23.559 -0.010 1.00 33.07 C ATOM 76 CG LEU A 9 24.288 23.347 1.414 1.00 35.51 C ATOM 77 CD1 LEU A 9 23.675 22.070 1.962 1.00 29.23 C ATOM 78 CD2 LEU A 9 25.809 23.357 1.478 1.00 23.49 C ATOM 0 H LEU A 9 22.421 25.660 -0.014 1.00 24.49 H new ATOM 0 HA LEU A 9 25.038 25.215 -0.463 1.00 32.57 H new ATOM 0 HB2 LEU A 9 22.886 23.407 -0.053 1.00 33.07 H new ATOM 0 HB3 LEU A 9 24.263 22.881 -0.562 1.00 33.07 H new ATOM 0 HG LEU A 9 23.975 24.070 1.979 1.00 35.51 H new ATOM 0 HD11 LEU A 9 23.965 21.939 2.878 1.00 29.23 H new ATOM 0 HD12 LEU A 9 22.708 22.138 1.936 1.00 29.23 H new ATOM 0 HD13 LEU A 9 23.960 21.316 1.422 1.00 29.23 H new ATOM 0 HD21 LEU A 9 26.095 23.221 2.395 1.00 23.49 H new ATOM 0 HD22 LEU A 9 26.161 22.646 0.920 1.00 23.49 H new ATOM 0 HD23 LEU A 9 26.141 24.211 1.160 1.00 23.49 H new ATOM 79 N GLY A 10 24.997 24.458 -2.908 1.00 33.26 N ATOM 80 CA GLY A 10 24.827 24.183 -4.325 1.00 30.06 C ATOM 81 C GLY A 10 26.134 24.261 -5.102 1.00 33.42 C ATOM 82 O GLY A 10 27.188 24.556 -4.534 1.00 40.17 O ATOM 0 H GLY A 10 25.809 24.403 -2.629 1.00 33.26 H new ATOM 0 HA2 GLY A 10 24.443 23.299 -4.435 1.00 30.06 H new ATOM 0 HA3 GLY A 10 24.195 24.816 -4.700 1.00 30.06 H new ATOM 83 N SER A 11 26.094 24.027 -6.416 1.00 32.52 N ATOM 84 CA SER A 11 27.280 24.074 -7.267 1.00 27.70 C ATOM 85 C SER A 11 27.618 25.490 -7.674 1.00 19.63 C ATOM 86 O SER A 11 26.824 26.425 -7.519 1.00 23.10 O ATOM 87 CB SER A 11 27.073 23.274 -8.536 1.00 34.40 C ATOM 88 OG SER A 11 26.744 21.934 -8.227 1.00 53.23 O ATOM 0 H SER A 11 25.370 23.835 -6.839 1.00 32.52 H new ATOM 0 HA SER A 11 28.004 23.698 -6.743 1.00 27.70 H new ATOM 0 HB2 SER A 11 26.365 23.673 -9.065 1.00 34.40 H new ATOM 0 HB3 SER A 11 27.878 23.299 -9.076 1.00 34.40 H new ATOM 0 HG SER A 11 26.964 21.437 -8.867 1.00 53.23 H new ATOM 89 N GLY A 12 28.805 25.674 -8.235 1.00 17.17 N ATOM 90 CA GLY A 12 29.215 26.993 -8.714 1.00 18.22 C ATOM 91 C GLY A 12 28.280 27.618 -9.752 1.00 17.55 C ATOM 92 O GLY A 12 27.692 26.945 -10.605 1.00 22.58 O ATOM 0 H GLY A 12 29.388 25.053 -8.349 1.00 17.17 H new ATOM 0 HA2 GLY A 12 29.282 27.593 -7.954 1.00 18.22 H new ATOM 0 HA3 GLY A 12 30.103 26.922 -9.098 1.00 18.22 H new ATOM 93 N GLY A 13 28.091 28.929 -9.645 1.00 14.89 N ATOM 94 CA GLY A 13 27.363 29.714 -10.618 1.00 11.35 C ATOM 95 C GLY A 13 25.862 29.638 -10.485 1.00 20.25 C ATOM 96 O GLY A 13 25.218 30.556 -10.943 1.00 32.05 O ATOM 0 H GLY A 13 28.392 29.393 -8.986 1.00 14.89 H new ATOM 0 HA2 GLY A 13 27.637 30.641 -10.539 1.00 11.35 H new ATOM 0 HA3 GLY A 13 27.613 29.419 -11.508 1.00 11.35 H new ATOM 97 N VAL A 14 25.245 28.666 -9.827 1.00 16.31 N ATOM 98 CA VAL A 14 23.798 28.557 -9.709 1.00 14.17 C ATOM 99 C VAL A 14 23.042 29.783 -9.203 1.00 16.90 C ATOM 100 O VAL A 14 21.827 29.901 -9.354 1.00 18.89 O ATOM 101 CB VAL A 14 23.452 27.347 -8.833 1.00 23.27 C ATOM 102 CG1 VAL A 14 24.080 26.099 -9.412 1.00 19.30 C ATOM 103 CG2 VAL A 14 23.860 27.539 -7.373 1.00 24.57 C ATOM 0 H VAL A 14 25.668 28.034 -9.426 1.00 16.31 H new ATOM 0 HA VAL A 14 23.494 28.458 -10.625 1.00 14.17 H new ATOM 0 HB VAL A 14 22.487 27.252 -8.834 1.00 23.27 H new ATOM 0 HG11 VAL A 14 23.858 25.337 -8.855 1.00 19.30 H new ATOM 0 HG12 VAL A 14 23.741 25.952 -10.309 1.00 19.30 H new ATOM 0 HG13 VAL A 14 25.044 26.206 -9.444 1.00 19.30 H new ATOM 0 HG21 VAL A 14 23.620 26.749 -6.863 1.00 24.57 H new ATOM 0 HG22 VAL A 14 24.818 27.679 -7.320 1.00 24.57 H new ATOM 0 HG23 VAL A 14 23.400 28.311 -7.007 1.00 24.57 H new ATOM 104 N GLY A 15 23.716 30.722 -8.558 1.00 18.33 N ATOM 105 CA GLY A 15 23.016 31.867 -8.019 1.00 25.03 C ATOM 106 C GLY A 15 22.880 31.944 -6.498 1.00 20.40 C ATOM 107 O GLY A 15 22.118 32.782 -6.042 1.00 17.68 O ATOM 0 H GLY A 15 24.566 30.714 -8.424 1.00 18.33 H new ATOM 0 HA2 GLY A 15 23.471 32.668 -8.322 1.00 25.03 H new ATOM 0 HA3 GLY A 15 22.125 31.884 -8.403 1.00 25.03 H new ATOM 108 N LYS A 16 23.638 31.182 -5.686 1.00 22.17 N ATOM 109 CA LYS A 16 23.597 31.199 -4.210 1.00 17.56 C ATOM 110 C LYS A 16 23.834 32.561 -3.602 1.00 19.84 C ATOM 111 O LYS A 16 23.068 33.033 -2.760 1.00 23.54 O ATOM 112 CB LYS A 16 24.593 30.232 -3.570 1.00 17.73 C ATOM 113 CG LYS A 16 24.311 28.785 -3.934 1.00 23.76 C ATOM 114 CD LYS A 16 25.192 27.838 -3.179 1.00 19.62 C ATOM 115 CE LYS A 16 26.652 28.055 -3.425 1.00 31.16 C ATOM 116 NZ LYS A 16 26.949 27.601 -4.751 1.00 29.32 N ATOM 0 H LYS A 16 24.212 30.620 -5.994 1.00 22.17 H new ATOM 0 HA LYS A 16 22.689 30.919 -4.016 1.00 17.56 H new ATOM 0 HB2 LYS A 16 25.492 30.464 -3.851 1.00 17.73 H new ATOM 0 HB3 LYS A 16 24.563 30.332 -2.606 1.00 17.73 H new ATOM 0 HG2 LYS A 16 23.381 28.580 -3.747 1.00 23.76 H new ATOM 0 HG3 LYS A 16 24.443 28.660 -4.887 1.00 23.76 H new ATOM 0 HD2 LYS A 16 25.014 27.929 -2.230 1.00 19.62 H new ATOM 0 HD3 LYS A 16 24.962 26.928 -3.424 1.00 19.62 H new ATOM 0 HE2 LYS A 16 26.876 28.994 -3.330 1.00 31.16 H new ATOM 0 HE3 LYS A 16 27.182 27.569 -2.774 1.00 31.16 H new ATOM 0 HZ1 LYS A 16 27.661 28.035 -5.061 1.00 29.32 H new ATOM 0 HZ2 LYS A 16 27.118 26.727 -4.735 1.00 29.32 H new ATOM 0 HZ3 LYS A 16 26.252 27.758 -5.282 1.00 29.32 H new ATOM 117 N SER A 17 24.877 33.238 -4.071 1.00 10.57 N ATOM 118 CA SER A 17 25.190 34.560 -3.573 1.00 11.25 C ATOM 119 C SER A 17 24.268 35.615 -4.118 1.00 22.97 C ATOM 120 O SER A 17 24.071 36.602 -3.432 1.00 29.21 O ATOM 121 CB SER A 17 26.604 34.908 -3.927 1.00 7.47 C ATOM 122 OG SER A 17 27.409 33.729 -3.728 1.00 19.26 O ATOM 0 H SER A 17 25.412 32.945 -4.677 1.00 10.57 H new ATOM 0 HA SER A 17 25.074 34.539 -2.610 1.00 11.25 H new ATOM 0 HB2 SER A 17 26.660 35.207 -4.848 1.00 7.47 H new ATOM 0 HB3 SER A 17 26.924 35.636 -3.372 1.00 7.47 H new ATOM 123 N ALA A 18 23.680 35.451 -5.313 1.00 25.98 N ATOM 124 CA ALA A 18 22.810 36.455 -5.871 1.00 23.15 C ATOM 125 C ALA A 18 21.496 36.379 -5.125 1.00 23.74 C ATOM 126 O ALA A 18 20.955 37.417 -4.776 1.00 29.44 O ATOM 127 CB ALA A 18 22.613 36.235 -7.354 1.00 18.73 C ATOM 0 H ALA A 18 23.783 34.755 -5.808 1.00 25.98 H new ATOM 0 HA ALA A 18 23.201 37.337 -5.772 1.00 23.15 H new ATOM 0 HB1 ALA A 18 22.025 36.921 -7.708 1.00 18.73 H new ATOM 0 HB2 ALA A 18 23.471 36.281 -7.805 1.00 18.73 H new ATOM 0 HB3 ALA A 18 22.216 35.362 -7.502 1.00 18.73 H new ATOM 128 N LEU A 19 20.989 35.191 -4.814 1.00 23.53 N ATOM 129 CA LEU A 19 19.844 35.014 -3.938 1.00 26.03 C ATOM 130 C LEU A 19 20.085 35.556 -2.524 1.00 29.51 C ATOM 131 O LEU A 19 19.305 36.384 -2.066 1.00 28.49 O ATOM 132 CB LEU A 19 19.470 33.531 -3.907 1.00 17.40 C ATOM 133 CG LEU A 19 18.824 32.928 -5.141 1.00 17.82 C ATOM 134 CD1 LEU A 19 18.781 31.438 -5.031 1.00 8.40 C ATOM 135 CD2 LEU A 19 17.401 33.437 -5.328 1.00 10.53 C ATOM 0 H LEU A 19 21.310 34.452 -5.114 1.00 23.53 H new ATOM 0 HA LEU A 19 19.107 35.534 -4.295 1.00 26.03 H new ATOM 0 HB2 LEU A 19 20.276 33.026 -3.718 1.00 17.40 H new ATOM 0 HB3 LEU A 19 18.867 33.393 -3.160 1.00 17.40 H new ATOM 0 HG LEU A 19 19.361 33.193 -5.904 1.00 17.82 H new ATOM 0 HD11 LEU A 19 18.366 31.067 -5.825 1.00 8.40 H new ATOM 0 HD12 LEU A 19 19.684 31.093 -4.947 1.00 8.40 H new ATOM 0 HD13 LEU A 19 18.265 31.186 -4.249 1.00 8.40 H new ATOM 0 HD21 LEU A 19 17.015 33.035 -6.122 1.00 10.53 H new ATOM 0 HD22 LEU A 19 16.867 33.199 -4.554 1.00 10.53 H new ATOM 0 HD23 LEU A 19 17.413 34.402 -5.427 1.00 10.53 H new ATOM 136 N THR A 20 21.156 35.175 -1.820 1.00 24.35 N ATOM 137 CA THR A 20 21.471 35.686 -0.501 1.00 22.97 C ATOM 138 C THR A 20 21.646 37.203 -0.512 1.00 27.50 C ATOM 139 O THR A 20 20.988 37.911 0.261 1.00 26.34 O ATOM 140 CB THR A 20 22.726 34.996 0.064 1.00 24.16 C ATOM 141 OG1 THR A 20 22.462 33.599 0.110 1.00 22.71 O ATOM 142 CG2 THR A 20 23.091 35.495 1.437 1.00 21.69 C ATOM 0 H THR A 20 21.726 34.600 -2.110 1.00 24.35 H new ATOM 0 HA THR A 20 20.720 35.483 0.079 1.00 22.97 H new ATOM 0 HB THR A 20 23.481 35.198 -0.511 1.00 24.16 H new ATOM 0 HG1 THR A 20 22.588 33.265 -0.650 1.00 22.71 H new ATOM 0 HG21 THR A 20 23.885 35.033 1.749 1.00 21.69 H new ATOM 0 HG22 THR A 20 23.267 36.448 1.399 1.00 21.69 H new ATOM 0 HG23 THR A 20 22.357 35.326 2.049 1.00 21.69 H new ATOM 143 N VAL A 21 22.471 37.750 -1.410 1.00 26.41 N ATOM 144 CA VAL A 21 22.686 39.189 -1.491 1.00 20.39 C ATOM 145 C VAL A 21 21.419 39.954 -1.866 1.00 24.07 C ATOM 146 O VAL A 21 21.240 41.085 -1.417 1.00 29.91 O ATOM 147 CB VAL A 21 23.871 39.505 -2.398 1.00 19.42 C ATOM 148 CG1 VAL A 21 24.142 40.980 -2.468 1.00 25.16 C ATOM 149 CG2 VAL A 21 25.140 38.840 -1.868 1.00 18.08 C ATOM 0 H VAL A 21 22.919 37.294 -1.986 1.00 26.41 H new ATOM 0 HA VAL A 21 22.913 39.505 -0.603 1.00 20.39 H new ATOM 0 HB VAL A 21 23.640 39.170 -3.279 1.00 19.42 H new ATOM 0 HG11 VAL A 21 24.900 41.143 -3.052 1.00 25.16 H new ATOM 0 HG12 VAL A 21 23.361 41.436 -2.818 1.00 25.16 H new ATOM 0 HG13 VAL A 21 24.341 41.315 -1.580 1.00 25.16 H new ATOM 0 HG21 VAL A 21 25.884 39.049 -2.454 1.00 18.08 H new ATOM 0 HG22 VAL A 21 25.329 39.169 -0.975 1.00 18.08 H new ATOM 0 HG23 VAL A 21 25.013 37.879 -1.838 1.00 18.08 H new ATOM 150 N GLN A 22 20.472 39.394 -2.613 1.00 23.02 N ATOM 151 CA GLN A 22 19.197 40.059 -2.841 1.00 24.82 C ATOM 152 C GLN A 22 18.364 40.109 -1.555 1.00 30.44 C ATOM 153 O GLN A 22 17.817 41.169 -1.258 1.00 28.53 O ATOM 154 CB GLN A 22 18.451 39.349 -3.987 1.00 29.45 C ATOM 155 CG GLN A 22 17.112 39.921 -4.504 1.00 25.25 C ATOM 156 CD GLN A 22 17.229 41.246 -5.220 1.00 24.43 C ATOM 157 OE1 GLN A 22 16.583 42.229 -4.878 1.00 34.43 O ATOM 158 NE2 GLN A 22 18.028 41.314 -6.268 1.00 41.97 N ATOM 0 H GLN A 22 20.550 38.628 -2.997 1.00 23.02 H new ATOM 0 HA GLN A 22 19.355 40.980 -3.103 1.00 24.82 H new ATOM 0 HB2 GLN A 22 19.057 39.304 -4.743 1.00 29.45 H new ATOM 0 HB3 GLN A 22 18.285 38.437 -3.702 1.00 29.45 H new ATOM 0 HG2 GLN A 22 16.709 39.276 -5.106 1.00 25.25 H new ATOM 0 HG3 GLN A 22 16.507 40.025 -3.753 1.00 25.25 H new ATOM 0 HE21 GLN A 22 18.482 40.624 -6.508 1.00 41.97 H new ATOM 0 HE22 GLN A 22 18.095 42.048 -6.711 1.00 41.97 H new ATOM 159 N PHE A 23 18.259 39.026 -0.754 1.00 32.07 N ATOM 160 CA PHE A 23 17.568 39.052 0.531 1.00 32.42 C ATOM 161 C PHE A 23 18.183 40.098 1.444 1.00 32.89 C ATOM 162 O PHE A 23 17.500 40.989 1.922 1.00 28.37 O ATOM 163 CB PHE A 23 17.614 37.706 1.233 1.00 25.18 C ATOM 164 CG PHE A 23 16.806 37.646 2.525 1.00 45.46 C ATOM 165 CD1 PHE A 23 15.460 37.952 2.534 1.00 38.78 C ATOM 166 CD2 PHE A 23 17.420 37.237 3.694 1.00 57.36 C ATOM 167 CE1 PHE A 23 14.729 37.821 3.695 1.00 39.31 C ATOM 168 CE2 PHE A 23 16.685 37.107 4.854 1.00 50.16 C ATOM 169 CZ PHE A 23 15.341 37.392 4.850 1.00 45.17 C ATOM 0 H PHE A 23 18.592 38.258 -0.953 1.00 32.07 H new ATOM 0 HA PHE A 23 16.642 39.271 0.345 1.00 32.42 H new ATOM 0 HB2 PHE A 23 17.285 37.025 0.626 1.00 25.18 H new ATOM 0 HB3 PHE A 23 18.538 37.487 1.431 1.00 25.18 H new ATOM 0 HD1 PHE A 23 15.046 38.247 1.755 1.00 38.78 H new ATOM 0 HD2 PHE A 23 18.331 37.049 3.698 1.00 57.36 H new ATOM 0 HE1 PHE A 23 13.821 38.023 3.698 1.00 39.31 H new ATOM 0 HE2 PHE A 23 17.099 36.827 5.638 1.00 50.16 H new ATOM 0 HZ PHE A 23 14.844 37.295 5.630 1.00 45.17 H new ATOM 170 N VAL A 24 19.491 40.046 1.650 1.00 33.56 N ATOM 171 CA VAL A 24 20.131 40.898 2.637 1.00 33.60 C ATOM 172 C VAL A 24 20.141 42.384 2.253 1.00 37.43 C ATOM 173 O VAL A 24 19.946 43.252 3.102 1.00 38.93 O ATOM 174 CB VAL A 24 21.530 40.311 2.956 1.00 25.74 C ATOM 175 CG1 VAL A 24 22.220 41.095 4.041 1.00 17.00 C ATOM 176 CG2 VAL A 24 21.422 38.852 3.394 1.00 13.29 C ATOM 0 H VAL A 24 20.026 39.523 1.227 1.00 33.56 H new ATOM 0 HA VAL A 24 19.604 40.895 3.451 1.00 33.60 H new ATOM 0 HB VAL A 24 22.053 40.368 2.141 1.00 25.74 H new ATOM 0 HG11 VAL A 24 23.090 40.705 4.218 1.00 17.00 H new ATOM 0 HG12 VAL A 24 22.330 42.015 3.755 1.00 17.00 H new ATOM 0 HG13 VAL A 24 21.684 41.070 4.849 1.00 17.00 H new ATOM 0 HG21 VAL A 24 22.307 38.506 3.588 1.00 13.29 H new ATOM 0 HG22 VAL A 24 20.870 38.793 4.190 1.00 13.29 H new ATOM 0 HG23 VAL A 24 21.020 38.329 2.683 1.00 13.29 H new ATOM 177 N THR A 25 20.353 42.744 0.985 1.00 42.48 N ATOM 178 CA THR A 25 20.495 44.151 0.621 1.00 41.45 C ATOM 179 C THR A 25 19.440 44.712 -0.329 1.00 41.41 C ATOM 180 O THR A 25 19.347 45.928 -0.493 1.00 50.08 O ATOM 181 CB THR A 25 21.908 44.420 0.066 1.00 31.09 C ATOM 182 OG1 THR A 25 22.047 43.708 -1.160 1.00 45.14 O ATOM 183 CG2 THR A 25 22.994 43.927 1.010 1.00 46.62 C ATOM 0 H THR A 25 20.417 42.193 0.328 1.00 42.48 H new ATOM 0 HA THR A 25 20.350 44.629 1.452 1.00 41.45 H new ATOM 0 HB THR A 25 22.009 45.378 -0.049 1.00 31.09 H new ATOM 0 HG1 THR A 25 21.806 42.911 -1.050 1.00 45.14 H new ATOM 0 HG21 THR A 25 23.865 44.114 0.627 1.00 46.62 H new ATOM 0 HG22 THR A 25 22.912 44.381 1.863 1.00 46.62 H new ATOM 0 HG23 THR A 25 22.898 42.971 1.143 1.00 46.62 H new ATOM 184 N GLY A 26 18.644 43.878 -0.991 1.00 42.04 N ATOM 185 CA GLY A 26 17.793 44.340 -2.076 1.00 47.66 C ATOM 186 C GLY A 26 18.531 44.619 -3.390 1.00 51.29 C ATOM 187 O GLY A 26 17.964 45.263 -4.277 1.00 57.76 O ATOM 0 H GLY A 26 18.584 43.036 -0.824 1.00 42.04 H new ATOM 0 HA2 GLY A 26 17.107 43.674 -2.239 1.00 47.66 H new ATOM 0 HA3 GLY A 26 17.341 45.151 -1.794 1.00 47.66 H new ATOM 188 N THR A 27 19.772 44.173 -3.613 1.00 49.55 N ATOM 189 CA THR A 27 20.463 44.458 -4.860 1.00 47.32 C ATOM 190 C THR A 27 20.781 43.174 -5.637 1.00 47.62 C ATOM 191 O THR A 27 20.962 42.122 -5.025 1.00 47.68 O ATOM 192 CB THR A 27 21.720 45.344 -4.614 1.00 45.33 C ATOM 193 OG1 THR A 27 22.665 44.647 -3.815 1.00 55.18 O ATOM 194 CG2 THR A 27 21.376 46.670 -3.963 1.00 49.53 C ATOM 0 H THR A 27 20.225 43.705 -3.052 1.00 49.55 H new ATOM 0 HA THR A 27 19.865 44.973 -5.425 1.00 47.32 H new ATOM 0 HB THR A 27 22.104 45.537 -5.483 1.00 45.33 H new ATOM 0 HG1 THR A 27 22.317 44.451 -3.076 1.00 55.18 H new ATOM 0 HG21 THR A 27 22.187 47.185 -3.830 1.00 49.53 H new ATOM 0 HG22 THR A 27 20.769 47.164 -4.536 1.00 49.53 H new ATOM 0 HG23 THR A 27 20.951 46.509 -3.106 1.00 49.53 H new ATOM 195 N PHE A 28 20.797 43.194 -6.981 1.00 50.74 N ATOM 196 CA PHE A 28 21.235 42.051 -7.786 1.00 49.70 C ATOM 197 C PHE A 28 22.710 42.147 -8.192 1.00 49.32 C ATOM 198 O PHE A 28 23.136 43.066 -8.904 1.00 52.52 O ATOM 199 CB PHE A 28 20.331 41.831 -9.027 1.00 43.72 C ATOM 200 CG PHE A 28 20.759 40.630 -9.871 1.00 53.45 C ATOM 201 CD1 PHE A 28 20.620 39.350 -9.378 1.00 54.99 C ATOM 202 CD2 PHE A 28 21.353 40.817 -11.100 1.00 48.80 C ATOM 203 CE1 PHE A 28 21.099 38.281 -10.101 1.00 60.10 C ATOM 204 CE2 PHE A 28 21.832 39.737 -11.809 1.00 38.21 C ATOM 205 CZ PHE A 28 21.709 38.475 -11.314 1.00 48.98 C ATOM 0 H PHE A 28 20.553 43.874 -7.447 1.00 50.74 H new ATOM 0 HA PHE A 28 21.146 41.273 -7.214 1.00 49.70 H new ATOM 0 HB2 PHE A 28 19.415 41.705 -8.735 1.00 43.72 H new ATOM 0 HB3 PHE A 28 20.346 42.629 -9.578 1.00 43.72 H new ATOM 0 HD1 PHE A 28 20.203 39.209 -8.559 1.00 54.99 H new ATOM 0 HD2 PHE A 28 21.431 41.674 -11.452 1.00 48.80 H new ATOM 0 HE1 PHE A 28 21.008 37.419 -9.764 1.00 60.10 H new ATOM 0 HE2 PHE A 28 22.243 39.871 -12.633 1.00 38.21 H new ATOM 0 HZ PHE A 28 22.036 37.749 -11.795 1.00 48.98 H new ATOM 206 N ILE A 29 23.499 41.188 -7.705 1.00 51.59 N ATOM 207 CA ILE A 29 24.881 41.028 -8.109 1.00 55.69 C ATOM 208 C ILE A 29 24.942 40.272 -9.445 1.00 57.14 C ATOM 209 O ILE A 29 24.459 39.148 -9.607 1.00 53.85 O ATOM 210 CB ILE A 29 25.764 40.404 -6.954 1.00 57.82 C ATOM 211 CG1 ILE A 29 27.286 40.422 -7.236 1.00 66.44 C ATOM 212 CG2 ILE A 29 25.351 38.987 -6.555 1.00 57.14 C ATOM 213 CD1 ILE A 29 28.015 41.794 -7.388 1.00 73.15 C ATOM 0 H ILE A 29 23.237 40.610 -7.125 1.00 51.59 H new ATOM 0 HA ILE A 29 25.280 41.898 -8.265 1.00 55.69 H new ATOM 0 HB ILE A 29 25.587 41.000 -6.209 1.00 57.82 H new ATOM 0 HG12 ILE A 29 27.722 39.938 -6.518 1.00 66.44 H new ATOM 0 HG13 ILE A 29 27.438 39.918 -8.051 1.00 66.44 H new ATOM 0 HG21 ILE A 29 25.931 38.668 -5.846 1.00 57.14 H new ATOM 0 HG22 ILE A 29 24.433 38.993 -6.242 1.00 57.14 H new ATOM 0 HG23 ILE A 29 25.427 38.399 -7.323 1.00 57.14 H new ATOM 0 HD11 ILE A 29 28.957 41.643 -7.561 1.00 73.15 H new ATOM 0 HD12 ILE A 29 27.626 42.287 -8.128 1.00 73.15 H new ATOM 0 HD13 ILE A 29 27.915 42.306 -6.570 1.00 73.15 H new ATOM 214 N GLU A 30 25.474 41.021 -10.417 1.00 56.70 N ATOM 215 CA GLU A 30 25.797 40.512 -11.748 1.00 55.48 C ATOM 216 C GLU A 30 27.207 39.973 -11.961 1.00 52.71 C ATOM 217 O GLU A 30 27.447 39.107 -12.803 1.00 50.99 O ATOM 218 CB GLU A 30 25.590 41.596 -12.789 1.00 52.42 C ATOM 219 CG GLU A 30 24.154 41.733 -13.240 1.00 51.14 C ATOM 220 CD GLU A 30 23.675 43.155 -13.516 1.00 53.15 C ATOM 221 OE1 GLU A 30 24.226 44.113 -12.961 1.00 49.57 O ATOM 222 OE2 GLU A 30 22.716 43.296 -14.281 1.00 68.20 O ATOM 0 H GLU A 30 25.659 41.855 -10.316 1.00 56.70 H new ATOM 0 HA GLU A 30 25.194 39.758 -11.838 1.00 55.48 H new ATOM 0 HB2 GLU A 30 25.890 42.444 -12.426 1.00 52.42 H new ATOM 0 HB3 GLU A 30 26.147 41.405 -13.560 1.00 52.42 H new ATOM 0 HG2 GLU A 30 24.035 41.208 -14.047 1.00 51.14 H new ATOM 0 HG3 GLU A 30 23.581 41.343 -12.561 1.00 51.14 H new ATOM 223 N LYS A 31 28.202 40.543 -11.284 1.00 50.39 N ATOM 224 CA LYS A 31 29.568 40.120 -11.527 1.00 56.58 C ATOM 225 C LYS A 31 29.792 38.928 -10.629 1.00 58.50 C ATOM 226 O LYS A 31 29.680 39.008 -9.398 1.00 62.23 O ATOM 227 CB LYS A 31 30.576 41.259 -11.296 1.00 69.00 C ATOM 228 CG LYS A 31 30.429 42.298 -12.417 1.00 83.58 C ATOM 229 CD LYS A 31 31.227 43.576 -12.199 1.00 93.25 C ATOM 230 CE LYS A 31 30.913 44.578 -13.311 1.00 90.08 C ATOM 231 NZ LYS A 31 31.658 45.809 -13.115 1.00 83.01 N ATOM 0 H LYS A 31 28.107 41.162 -10.694 1.00 50.39 H new ATOM 0 HA LYS A 31 29.708 39.874 -12.455 1.00 56.58 H new ATOM 0 HB2 LYS A 31 30.420 41.674 -10.433 1.00 69.00 H new ATOM 0 HB3 LYS A 31 31.480 40.908 -11.282 1.00 69.00 H new ATOM 0 HG2 LYS A 31 30.707 41.895 -13.255 1.00 83.58 H new ATOM 0 HG3 LYS A 31 29.491 42.527 -12.510 1.00 83.58 H new ATOM 0 HD2 LYS A 31 31.009 43.960 -11.335 1.00 93.25 H new ATOM 0 HD3 LYS A 31 32.176 43.377 -12.190 1.00 93.25 H new ATOM 0 HE2 LYS A 31 31.136 44.193 -14.173 1.00 90.08 H new ATOM 0 HE3 LYS A 31 29.962 44.768 -13.323 1.00 90.08 H new ATOM 0 HZ1 LYS A 31 31.465 46.381 -13.769 1.00 83.01 H new ATOM 0 HZ2 LYS A 31 31.436 46.169 -12.332 1.00 83.01 H new ATOM 0 HZ3 LYS A 31 32.530 45.633 -13.124 1.00 83.01 H new ATOM 232 N TYR A 32 29.986 37.816 -11.203 1.00 58.06 N ATOM 233 CA TYR A 32 30.360 36.564 -10.526 1.00 56.39 C ATOM 234 C TYR A 32 31.667 36.760 -9.759 1.00 53.56 C ATOM 235 O TYR A 32 32.746 36.871 -10.358 1.00 52.13 O ATOM 236 CB TYR A 32 30.543 35.471 -11.569 1.00 59.03 C ATOM 237 CG TYR A 32 30.824 34.079 -10.995 1.00 54.44 C ATOM 238 CD1 TYR A 32 30.161 33.628 -9.839 1.00 43.10 C ATOM 239 CD2 TYR A 32 31.752 33.257 -11.636 1.00 45.86 C ATOM 240 CE1 TYR A 32 30.417 32.336 -9.348 1.00 38.77 C ATOM 241 CE2 TYR A 32 32.001 31.968 -11.150 1.00 57.96 C ATOM 242 CZ TYR A 32 31.331 31.505 -10.013 1.00 49.44 C ATOM 243 OH TYR A 32 31.558 30.240 -9.566 1.00 53.38 O ATOM 0 H TYR A 32 29.908 37.722 -12.054 1.00 58.06 H new ATOM 0 HA TYR A 32 29.661 36.311 -9.903 1.00 56.39 H new ATOM 0 HB2 TYR A 32 29.744 35.426 -12.117 1.00 59.03 H new ATOM 0 HB3 TYR A 32 31.275 35.720 -12.155 1.00 59.03 H new ATOM 0 HD1 TYR A 32 29.556 34.182 -9.402 1.00 43.10 H new ATOM 0 HD2 TYR A 32 32.205 33.566 -12.387 1.00 45.86 H new ATOM 0 HE1 TYR A 32 29.982 32.033 -8.584 1.00 38.77 H new ATOM 0 HE2 TYR A 32 32.613 31.419 -11.584 1.00 57.96 H new ATOM 0 HH TYR A 32 31.339 30.185 -8.757 1.00 53.38 H new ATOM 244 N ASP A 33 31.483 36.790 -8.468 1.00 52.24 N ATOM 245 CA ASP A 33 32.584 36.664 -7.525 1.00 46.75 C ATOM 246 C ASP A 33 32.443 35.302 -6.845 1.00 43.52 C ATOM 247 O ASP A 33 31.444 35.045 -6.150 1.00 48.07 O ATOM 248 CB ASP A 33 32.520 37.799 -6.491 1.00 51.90 C ATOM 249 CG ASP A 33 33.832 38.050 -5.743 1.00 65.22 C ATOM 250 OD1 ASP A 33 34.313 37.178 -5.004 1.00 69.87 O ATOM 251 OD2 ASP A 33 34.368 39.148 -5.906 1.00 72.92 O ATOM 0 H ASP A 33 30.712 36.885 -8.098 1.00 52.24 H new ATOM 0 HA ASP A 33 33.440 36.727 -7.976 1.00 46.75 H new ATOM 0 HB2 ASP A 33 32.256 38.617 -6.941 1.00 51.90 H new ATOM 0 HB3 ASP A 33 31.826 37.594 -5.845 1.00 51.90 H new ATOM 252 N PRO A 34 33.342 34.344 -7.065 1.00 41.58 N ATOM 253 CA PRO A 34 33.305 33.046 -6.410 1.00 42.77 C ATOM 254 C PRO A 34 33.627 33.205 -4.933 1.00 43.87 C ATOM 255 O PRO A 34 34.400 34.078 -4.537 1.00 46.54 O ATOM 256 CB PRO A 34 34.284 32.224 -7.207 1.00 34.98 C ATOM 257 CG PRO A 34 35.291 33.249 -7.656 1.00 32.28 C ATOM 258 CD PRO A 34 34.414 34.417 -8.043 1.00 41.43 C ATOM 0 HA PRO A 34 32.441 32.606 -6.402 1.00 42.77 H new ATOM 0 HB2 PRO A 34 34.693 31.529 -6.668 1.00 34.98 H new ATOM 0 HB3 PRO A 34 33.857 31.785 -7.959 1.00 34.98 H new ATOM 0 HG2 PRO A 34 35.911 33.482 -6.947 1.00 32.28 H new ATOM 0 HG3 PRO A 34 35.821 32.932 -8.404 1.00 32.28 H new ATOM 0 HD2 PRO A 34 34.892 35.260 -7.993 1.00 41.43 H new ATOM 0 HD3 PRO A 34 34.081 34.334 -8.950 1.00 41.43 H new ATOM 259 N THR A 35 32.951 32.387 -4.134 1.00 43.79 N ATOM 260 CA THR A 35 32.783 32.641 -2.722 1.00 38.00 C ATOM 261 C THR A 35 33.549 31.523 -2.056 1.00 39.65 C ATOM 262 O THR A 35 33.538 30.384 -2.544 1.00 33.50 O ATOM 263 CB THR A 35 31.286 32.516 -2.391 1.00 34.75 C ATOM 264 OG1 THR A 35 30.562 33.361 -3.286 1.00 40.64 O ATOM 265 CG2 THR A 35 30.912 32.886 -0.969 1.00 50.96 C ATOM 0 H THR A 35 32.575 31.663 -4.405 1.00 43.79 H new ATOM 0 HA THR A 35 33.090 33.517 -2.440 1.00 38.00 H new ATOM 0 HB THR A 35 31.061 31.577 -2.489 1.00 34.75 H new ATOM 0 HG21 THR A 35 29.956 32.779 -0.848 1.00 50.96 H new ATOM 0 HG22 THR A 35 31.383 32.307 -0.349 1.00 50.96 H new ATOM 0 HG23 THR A 35 31.158 33.809 -0.799 1.00 50.96 H new ATOM 266 N ILE A 36 34.236 31.920 -0.974 1.00 39.21 N ATOM 267 CA ILE A 36 34.857 30.950 -0.080 1.00 39.66 C ATOM 268 C ILE A 36 33.826 30.632 0.995 1.00 37.84 C ATOM 269 O ILE A 36 33.283 29.526 1.041 1.00 30.16 O ATOM 270 CB ILE A 36 36.218 31.440 0.521 1.00 46.27 C ATOM 271 CG1 ILE A 36 37.258 31.684 -0.558 1.00 43.27 C ATOM 272 CG2 ILE A 36 36.818 30.436 1.499 1.00 50.64 C ATOM 273 CD1 ILE A 36 37.088 32.983 -1.362 1.00 42.81 C ATOM 0 H ILE A 36 34.350 32.742 -0.747 1.00 39.21 H new ATOM 0 HA ILE A 36 35.100 30.152 -0.574 1.00 39.66 H new ATOM 0 HB ILE A 36 36.004 32.266 0.982 1.00 46.27 H new ATOM 0 HG12 ILE A 36 38.135 31.691 -0.144 1.00 43.27 H new ATOM 0 HG13 ILE A 36 37.242 30.936 -1.175 1.00 43.27 H new ATOM 0 HG21 ILE A 36 37.656 30.781 1.844 1.00 50.64 H new ATOM 0 HG22 ILE A 36 36.202 30.292 2.234 1.00 50.64 H new ATOM 0 HG23 ILE A 36 36.978 29.595 1.042 1.00 50.64 H new ATOM 0 HD11 ILE A 36 37.795 33.050 -2.023 1.00 42.81 H new ATOM 0 HD12 ILE A 36 36.227 32.977 -1.809 1.00 42.81 H new ATOM 0 HD13 ILE A 36 37.134 33.744 -0.762 1.00 42.81 H new ATOM 274 N GLU A 37 33.510 31.622 1.830 1.00 34.04 N ATOM 275 CA GLU A 37 32.563 31.438 2.901 1.00 34.02 C ATOM 276 C GLU A 37 32.162 32.835 3.296 1.00 37.33 C ATOM 277 O GLU A 37 33.025 33.715 3.322 1.00 46.27 O ATOM 278 CB GLU A 37 33.274 30.796 4.028 1.00 36.00 C ATOM 279 CG GLU A 37 32.319 30.202 5.015 1.00 41.61 C ATOM 280 CD GLU A 37 33.100 29.624 6.166 1.00 38.56 C ATOM 281 OE1 GLU A 37 33.602 28.524 6.031 1.00 24.45 O ATOM 282 OE2 GLU A 37 33.234 30.294 7.179 1.00 49.37 O ATOM 0 H GLU A 37 33.843 32.413 1.783 1.00 34.04 H new ATOM 0 HA GLU A 37 31.799 30.893 2.654 1.00 34.02 H new ATOM 0 HB2 GLU A 37 33.862 30.103 3.688 1.00 36.00 H new ATOM 0 HB3 GLU A 37 33.835 31.451 4.473 1.00 36.00 H new ATOM 0 HG2 GLU A 37 31.703 30.880 5.335 1.00 41.61 H new ATOM 0 HG3 GLU A 37 31.786 29.511 4.591 1.00 41.61 H new ATOM 283 N ASP A 38 30.873 33.085 3.509 1.00 35.30 N ATOM 284 CA ASP A 38 30.378 34.388 3.920 1.00 32.85 C ATOM 285 C ASP A 38 29.150 34.180 4.777 1.00 32.87 C ATOM 286 O ASP A 38 28.332 33.296 4.492 1.00 26.80 O ATOM 287 CB ASP A 38 29.930 35.260 2.757 1.00 32.50 C ATOM 288 CG ASP A 38 31.028 35.907 1.942 1.00 36.11 C ATOM 289 OD1 ASP A 38 32.022 36.365 2.509 1.00 51.25 O ATOM 290 OD2 ASP A 38 30.864 35.971 0.727 1.00 50.19 O ATOM 0 H ASP A 38 30.256 32.493 3.417 1.00 35.30 H new ATOM 0 HA ASP A 38 31.110 34.828 4.379 1.00 32.85 H new ATOM 0 HB2 ASP A 38 29.388 34.719 2.162 1.00 32.50 H new ATOM 0 HB3 ASP A 38 29.356 35.960 3.105 1.00 32.50 H new ATOM 291 N PHE A 39 29.080 35.013 5.822 1.00 29.27 N ATOM 292 CA PHE A 39 27.972 35.032 6.767 1.00 24.24 C ATOM 293 C PHE A 39 27.330 36.397 6.714 1.00 21.18 C ATOM 294 O PHE A 39 27.988 37.435 6.585 1.00 23.14 O ATOM 295 CB PHE A 39 28.382 34.785 8.214 1.00 20.09 C ATOM 296 CG PHE A 39 28.905 33.389 8.488 1.00 22.18 C ATOM 297 CD1 PHE A 39 30.247 33.091 8.239 1.00 23.32 C ATOM 298 CD2 PHE A 39 28.048 32.432 9.005 1.00 15.39 C ATOM 299 CE1 PHE A 39 30.736 31.826 8.518 1.00 17.05 C ATOM 300 CE2 PHE A 39 28.554 31.174 9.283 1.00 16.51 C ATOM 301 CZ PHE A 39 29.892 30.866 9.041 1.00 14.48 C ATOM 0 H PHE A 39 29.691 35.592 5.999 1.00 29.27 H new ATOM 0 HA PHE A 39 27.376 34.313 6.505 1.00 24.24 H new ATOM 0 HB2 PHE A 39 29.065 35.428 8.459 1.00 20.09 H new ATOM 0 HB3 PHE A 39 27.618 34.950 8.788 1.00 20.09 H new ATOM 0 HD1 PHE A 39 30.811 33.741 7.886 1.00 23.32 H new ATOM 0 HD2 PHE A 39 27.153 32.630 9.162 1.00 15.39 H new ATOM 0 HE1 PHE A 39 31.629 31.624 8.354 1.00 17.05 H new ATOM 0 HE2 PHE A 39 27.992 30.523 9.637 1.00 16.51 H new ATOM 0 HZ PHE A 39 30.216 30.015 9.231 1.00 14.48 H new ATOM 302 N TYR A 40 26.011 36.340 6.769 1.00 17.27 N ATOM 303 CA TYR A 40 25.155 37.498 6.687 1.00 21.60 C ATOM 304 C TYR A 40 24.174 37.308 7.844 1.00 25.82 C ATOM 305 O TYR A 40 23.853 36.175 8.225 1.00 18.22 O ATOM 306 CB TYR A 40 24.384 37.491 5.344 1.00 23.70 C ATOM 307 CG TYR A 40 25.223 37.617 4.070 1.00 31.84 C ATOM 308 CD1 TYR A 40 25.508 38.876 3.586 1.00 32.76 C ATOM 309 CD2 TYR A 40 25.721 36.504 3.391 1.00 35.41 C ATOM 310 CE1 TYR A 40 26.309 39.041 2.468 1.00 28.27 C ATOM 311 CE2 TYR A 40 26.522 36.660 2.269 1.00 33.88 C ATOM 312 CZ TYR A 40 26.819 37.940 1.820 1.00 38.69 C ATOM 313 OH TYR A 40 27.630 38.152 0.721 1.00 42.31 O ATOM 0 H TYR A 40 25.579 35.602 6.858 1.00 17.27 H new ATOM 0 HA TYR A 40 25.645 38.334 6.735 1.00 21.60 H new ATOM 0 HB2 TYR A 40 23.875 36.667 5.291 1.00 23.70 H new ATOM 0 HB3 TYR A 40 23.744 38.220 5.358 1.00 23.70 H new ATOM 0 HD1 TYR A 40 25.158 39.623 4.015 1.00 32.76 H new ATOM 0 HD2 TYR A 40 25.514 35.649 3.694 1.00 35.41 H new ATOM 0 HE1 TYR A 40 26.502 39.896 2.156 1.00 28.27 H new ATOM 0 HE2 TYR A 40 26.856 35.916 1.823 1.00 33.88 H new ATOM 0 HH TYR A 40 27.881 37.413 0.411 1.00 42.31 H new ATOM 314 N ARG A 41 23.711 38.403 8.437 1.00 27.23 N ATOM 315 CA ARG A 41 22.694 38.347 9.472 1.00 26.65 C ATOM 316 C ARG A 41 21.636 39.363 9.113 1.00 27.07 C ATOM 317 O ARG A 41 21.964 40.486 8.718 1.00 32.94 O ATOM 318 CB ARG A 41 23.269 38.703 10.840 1.00 36.30 C ATOM 319 CG ARG A 41 24.327 37.741 11.342 1.00 45.12 C ATOM 320 CD ARG A 41 24.785 38.159 12.715 1.00 45.88 C ATOM 321 NE ARG A 41 24.812 36.958 13.520 1.00 58.52 N ATOM 322 CZ ARG A 41 23.833 36.650 14.375 1.00 52.77 C ATOM 323 NH1 ARG A 41 22.883 37.524 14.707 1.00 45.80 N ATOM 324 NH2 ARG A 41 23.779 35.411 14.850 1.00 49.23 N ATOM 0 H ARG A 41 23.979 39.198 8.249 1.00 27.23 H new ATOM 0 HA ARG A 41 22.335 37.447 9.523 1.00 26.65 H new ATOM 0 HB2 ARG A 41 23.651 39.593 10.797 1.00 36.30 H new ATOM 0 HB3 ARG A 41 22.545 38.736 11.485 1.00 36.30 H new ATOM 0 HG2 ARG A 41 23.969 36.840 11.372 1.00 45.12 H new ATOM 0 HG3 ARG A 41 25.080 37.727 10.731 1.00 45.12 H new ATOM 0 HD2 ARG A 41 25.663 38.569 12.676 1.00 45.88 H new ATOM 0 HD3 ARG A 41 24.182 38.816 13.095 1.00 45.88 H new ATOM 0 HE ARG A 41 25.482 36.423 13.446 1.00 58.52 H new ATOM 0 HH11 ARG A 41 22.888 38.314 14.368 1.00 45.80 H new ATOM 0 HH12 ARG A 41 22.265 37.298 15.260 1.00 45.80 H new ATOM 0 HH21 ARG A 41 24.365 34.831 14.606 1.00 49.23 H new ATOM 0 HH22 ARG A 41 23.158 35.189 15.402 1.00 49.23 H new ATOM 325 N LYS A 42 20.368 38.998 9.221 1.00 26.38 N ATOM 326 CA LYS A 42 19.293 39.888 8.853 1.00 35.60 C ATOM 327 C LYS A 42 18.097 39.577 9.739 1.00 42.85 C ATOM 328 O LYS A 42 17.690 38.426 9.898 1.00 41.14 O ATOM 329 CB LYS A 42 18.932 39.641 7.403 1.00 41.14 C ATOM 330 CG LYS A 42 18.634 40.952 6.748 1.00 45.60 C ATOM 331 CD LYS A 42 17.385 40.689 5.984 1.00 34.75 C ATOM 332 CE LYS A 42 16.878 42.017 5.505 1.00 33.89 C ATOM 333 NZ LYS A 42 15.516 41.844 5.030 1.00 47.59 N ATOM 0 H LYS A 42 20.111 38.229 9.509 1.00 26.38 H new ATOM 0 HA LYS A 42 19.557 40.815 8.966 1.00 35.60 H new ATOM 0 HB2 LYS A 42 19.663 39.196 6.946 1.00 41.14 H new ATOM 0 HB3 LYS A 42 18.162 39.054 7.344 1.00 41.14 H new ATOM 0 HG2 LYS A 42 18.510 41.657 7.402 1.00 45.60 H new ATOM 0 HG3 LYS A 42 19.357 41.231 6.164 1.00 45.60 H new ATOM 0 HD2 LYS A 42 17.559 40.097 5.235 1.00 34.75 H new ATOM 0 HD3 LYS A 42 16.725 40.251 6.544 1.00 34.75 H new ATOM 0 HE2 LYS A 42 16.905 42.668 6.224 1.00 33.89 H new ATOM 0 HE3 LYS A 42 17.443 42.357 4.794 1.00 33.89 H new ATOM 0 HZ1 LYS A 42 15.200 42.625 4.742 1.00 47.59 H new ATOM 0 HZ2 LYS A 42 15.507 41.256 4.362 1.00 47.59 H new ATOM 0 HZ3 LYS A 42 15.005 41.545 5.695 1.00 47.59 H new ATOM 334 N GLU A 43 17.552 40.611 10.357 1.00 50.83 N ATOM 335 CA GLU A 43 16.432 40.473 11.268 1.00 58.26 C ATOM 336 C GLU A 43 15.194 40.161 10.425 1.00 64.02 C ATOM 337 O GLU A 43 14.905 40.875 9.461 1.00 69.58 O ATOM 338 CB GLU A 43 16.320 41.811 11.987 1.00 61.40 C ATOM 339 CG GLU A 43 15.391 41.880 13.194 1.00 74.57 C ATOM 340 CD GLU A 43 15.318 43.257 13.860 1.00 82.29 C ATOM 341 OE1 GLU A 43 16.348 43.762 14.326 1.00 89.10 O ATOM 342 OE2 GLU A 43 14.220 43.819 13.920 1.00 80.21 O ATOM 0 H GLU A 43 17.825 41.421 10.258 1.00 50.83 H new ATOM 0 HA GLU A 43 16.534 39.763 11.921 1.00 58.26 H new ATOM 0 HB2 GLU A 43 17.208 42.072 12.277 1.00 61.40 H new ATOM 0 HB3 GLU A 43 16.026 42.474 11.343 1.00 61.40 H new ATOM 0 HG2 GLU A 43 14.499 41.620 12.917 1.00 74.57 H new ATOM 0 HG3 GLU A 43 15.685 41.230 13.852 1.00 74.57 H new ATOM 343 N ILE A 44 14.446 39.103 10.716 1.00 67.06 N ATOM 344 CA ILE A 44 13.330 38.730 9.866 1.00 72.11 C ATOM 345 C ILE A 44 12.027 38.791 10.662 1.00 78.20 C ATOM 346 O ILE A 44 12.012 38.547 11.869 1.00 78.50 O ATOM 347 CB ILE A 44 13.609 37.352 9.172 1.00 70.82 C ATOM 348 CG1 ILE A 44 12.730 37.204 7.925 1.00 69.95 C ATOM 349 CG2 ILE A 44 13.486 36.144 10.116 1.00 60.87 C ATOM 350 CD1 ILE A 44 12.999 35.966 7.045 1.00 79.41 C ATOM 0 H ILE A 44 14.569 38.592 11.397 1.00 67.06 H new ATOM 0 HA ILE A 44 13.227 39.366 9.141 1.00 72.11 H new ATOM 0 HB ILE A 44 14.540 37.355 8.900 1.00 70.82 H new ATOM 0 HG12 ILE A 44 11.802 37.182 8.207 1.00 69.95 H new ATOM 0 HG13 ILE A 44 12.841 37.997 7.378 1.00 69.95 H new ATOM 0 HG21 ILE A 44 13.670 35.329 9.624 1.00 60.87 H new ATOM 0 HG22 ILE A 44 14.123 36.234 10.842 1.00 60.87 H new ATOM 0 HG23 ILE A 44 12.587 36.106 10.478 1.00 60.87 H new ATOM 0 HD11 ILE A 44 12.393 35.969 6.288 1.00 79.41 H new ATOM 0 HD12 ILE A 44 13.915 35.989 6.725 1.00 79.41 H new ATOM 0 HD13 ILE A 44 12.859 35.161 7.568 1.00 79.41 H new ATOM 351 N GLU A 45 10.923 39.180 10.038 1.00 85.91 N ATOM 352 CA GLU A 45 9.611 39.034 10.638 1.00 91.50 C ATOM 353 C GLU A 45 8.866 38.003 9.816 1.00 92.87 C ATOM 354 O GLU A 45 8.353 38.325 8.742 1.00 93.51 O ATOM 355 CB GLU A 45 8.820 40.324 10.565 1.00 99.99 C ATOM 356 CG GLU A 45 9.177 41.399 11.560 1.00 99.56 C ATOM 357 CD GLU A 45 8.320 42.658 11.417 1.00 99.59 C ATOM 358 OE1 GLU A 45 7.131 42.573 11.074 1.00 99.23 O ATOM 359 OE2 GLU A 45 8.856 43.741 11.657 1.00 99.64 O ATOM 0 H GLU A 45 10.916 39.536 9.255 1.00 85.91 H new ATOM 0 HA GLU A 45 9.712 38.782 11.569 1.00 91.50 H new ATOM 0 HB2 GLU A 45 8.923 40.691 9.673 1.00 99.99 H new ATOM 0 HB3 GLU A 45 7.881 40.109 10.676 1.00 99.99 H new ATOM 0 HG2 GLU A 45 9.077 41.047 12.458 1.00 99.56 H new ATOM 0 HG3 GLU A 45 10.111 41.636 11.451 1.00 99.56 H new ATOM 360 N VAL A 46 8.801 36.751 10.243 1.00 95.50 N ATOM 361 CA VAL A 46 8.003 35.770 9.511 1.00 98.40 C ATOM 362 C VAL A 46 6.816 35.478 10.408 1.00 99.41 C ATOM 363 O VAL A 46 7.014 35.339 11.611 1.00 99.40 O ATOM 364 CB VAL A 46 8.825 34.503 9.180 1.00 97.53 C ATOM 365 CG1 VAL A 46 7.986 33.341 8.649 1.00 86.36 C ATOM 366 CG2 VAL A 46 9.824 34.870 8.114 1.00 97.77 C ATOM 0 H VAL A 46 9.202 36.449 10.941 1.00 95.50 H new ATOM 0 HA VAL A 46 7.713 36.105 8.648 1.00 98.40 H new ATOM 0 HB VAL A 46 9.235 34.205 10.007 1.00 97.53 H new ATOM 0 HG11 VAL A 46 8.563 32.584 8.463 1.00 86.36 H new ATOM 0 HG12 VAL A 46 7.325 33.089 9.313 1.00 86.36 H new ATOM 0 HG13 VAL A 46 7.537 33.612 7.833 1.00 86.36 H new ATOM 0 HG21 VAL A 46 10.355 34.091 7.886 1.00 97.77 H new ATOM 0 HG22 VAL A 46 9.355 35.183 7.325 1.00 97.77 H new ATOM 0 HG23 VAL A 46 10.406 35.573 8.444 1.00 97.77 H new ATOM 367 N ASP A 47 5.584 35.434 9.880 1.00 99.59 N ATOM 368 CA ASP A 47 4.349 35.255 10.654 1.00 99.81 C ATOM 369 C ASP A 47 4.196 36.333 11.755 1.00 99.74 C ATOM 370 O ASP A 47 3.520 36.147 12.765 1.00 99.97 O ATOM 371 CB ASP A 47 4.224 33.804 11.235 1.00 99.29 C ATOM 372 CG ASP A 47 4.333 32.590 10.284 1.00 99.49 C ATOM 373 OD1 ASP A 47 3.756 32.592 9.189 1.00 96.46 O ATOM 374 OD2 ASP A 47 4.990 31.612 10.661 1.00 99.83 O ATOM 0 H ASP A 47 5.442 35.510 9.035 1.00 99.59 H new ATOM 0 HA ASP A 47 3.611 35.375 10.036 1.00 99.81 H new ATOM 0 HB2 ASP A 47 4.909 33.703 11.914 1.00 99.29 H new ATOM 0 HB3 ASP A 47 3.367 33.744 11.685 1.00 99.29 H new ATOM 375 N SER A 48 4.786 37.523 11.539 1.00 99.03 N ATOM 376 CA SER A 48 5.036 38.548 12.558 1.00 99.14 C ATOM 377 C SER A 48 5.931 38.209 13.766 1.00 99.65 C ATOM 378 O SER A 48 6.036 38.987 14.724 1.00 99.54 O ATOM 379 CB SER A 48 3.755 39.288 12.964 1.00 99.39 C ATOM 380 OG SER A 48 3.304 40.095 11.878 1.00 99.38 O ATOM 0 H SER A 48 5.061 37.759 10.759 1.00 99.03 H new ATOM 0 HA SER A 48 5.621 39.149 12.071 1.00 99.14 H new ATOM 0 HB2 SER A 48 3.067 38.651 13.213 1.00 99.39 H new ATOM 0 HB3 SER A 48 3.923 39.842 13.742 1.00 99.39 H new ATOM 0 HG SER A 48 2.602 40.498 12.101 1.00 99.38 H new ATOM 381 N SER A 49 6.634 37.071 13.727 1.00 96.06 N ATOM 382 CA SER A 49 7.677 36.714 14.675 1.00 89.39 C ATOM 383 C SER A 49 9.049 37.296 14.285 1.00 87.64 C ATOM 384 O SER A 49 9.603 36.938 13.227 1.00 86.77 O ATOM 385 CB SER A 49 7.741 35.177 14.772 1.00 88.42 C ATOM 386 OG SER A 49 6.442 34.576 14.884 1.00 85.39 O ATOM 0 H SER A 49 6.507 36.470 13.125 1.00 96.06 H new ATOM 0 HA SER A 49 7.457 37.097 15.538 1.00 89.39 H new ATOM 0 HB2 SER A 49 8.190 34.825 13.987 1.00 88.42 H new ATOM 0 HB3 SER A 49 8.277 34.927 15.541 1.00 88.42 H new ATOM 0 HG SER A 49 6.522 33.741 14.933 1.00 85.39 H new ATOM 387 N PRO A 50 9.595 38.241 15.091 1.00 85.21 N ATOM 388 CA PRO A 50 10.963 38.752 14.978 1.00 80.55 C ATOM 389 C PRO A 50 12.054 37.782 15.455 1.00 76.59 C ATOM 390 O PRO A 50 12.131 37.306 16.602 1.00 78.13 O ATOM 391 CB PRO A 50 10.927 40.065 15.759 1.00 83.32 C ATOM 392 CG PRO A 50 9.909 39.808 16.844 1.00 82.43 C ATOM 393 CD PRO A 50 8.849 39.020 16.087 1.00 82.94 C ATOM 0 HA PRO A 50 11.218 38.877 14.051 1.00 80.55 H new ATOM 0 HB2 PRO A 50 11.796 40.283 16.130 1.00 83.32 H new ATOM 0 HB3 PRO A 50 10.666 40.809 15.194 1.00 83.32 H new ATOM 0 HG2 PRO A 50 10.282 39.301 17.582 1.00 82.43 H new ATOM 0 HG3 PRO A 50 9.556 40.632 17.215 1.00 82.43 H new ATOM 0 HD2 PRO A 50 8.349 38.441 16.683 1.00 82.94 H new ATOM 0 HD3 PRO A 50 8.208 39.611 15.662 1.00 82.94 H new ATOM 394 N SER A 51 12.928 37.522 14.493 1.00 70.57 N ATOM 395 CA SER A 51 13.970 36.527 14.614 1.00 64.48 C ATOM 396 C SER A 51 15.247 37.094 14.000 1.00 59.38 C ATOM 397 O SER A 51 15.272 38.238 13.536 1.00 61.07 O ATOM 398 CB SER A 51 13.510 35.323 13.822 1.00 63.14 C ATOM 399 OG SER A 51 12.181 34.897 14.120 1.00 83.27 O ATOM 0 H SER A 51 12.928 37.931 13.736 1.00 70.57 H new ATOM 0 HA SER A 51 14.142 36.286 15.538 1.00 64.48 H new ATOM 0 HB2 SER A 51 13.568 35.530 12.876 1.00 63.14 H new ATOM 0 HB3 SER A 51 14.119 34.587 13.989 1.00 63.14 H new ATOM 0 HG SER A 51 11.868 34.475 13.465 1.00 83.27 H new ATOM 400 N VAL A 52 16.346 36.357 14.003 1.00 55.13 N ATOM 401 CA VAL A 52 17.492 36.705 13.197 1.00 45.86 C ATOM 402 C VAL A 52 17.690 35.532 12.255 1.00 44.08 C ATOM 403 O VAL A 52 17.499 34.389 12.675 1.00 49.72 O ATOM 404 CB VAL A 52 18.715 36.893 14.069 1.00 45.63 C ATOM 405 CG1 VAL A 52 19.844 37.478 13.230 1.00 49.59 C ATOM 406 CG2 VAL A 52 18.419 37.818 15.233 1.00 43.83 C ATOM 0 H VAL A 52 16.445 35.643 14.473 1.00 55.13 H new ATOM 0 HA VAL A 52 17.357 37.537 12.717 1.00 45.86 H new ATOM 0 HB VAL A 52 18.975 36.029 14.425 1.00 45.63 H new ATOM 0 HG11 VAL A 52 20.630 37.600 13.785 1.00 49.59 H new ATOM 0 HG12 VAL A 52 20.054 36.872 12.502 1.00 49.59 H new ATOM 0 HG13 VAL A 52 19.568 38.335 12.868 1.00 49.59 H new ATOM 0 HG21 VAL A 52 19.217 37.922 15.775 1.00 43.83 H new ATOM 0 HG22 VAL A 52 18.143 38.685 14.896 1.00 43.83 H new ATOM 0 HG23 VAL A 52 17.708 37.440 15.774 1.00 43.83 H new ATOM 407 N LEU A 53 17.970 35.762 10.974 1.00 37.58 N ATOM 408 CA LEU A 53 18.528 34.735 10.124 1.00 32.09 C ATOM 409 C LEU A 53 19.999 35.001 10.088 1.00 26.31 C ATOM 410 O LEU A 53 20.434 36.133 9.918 1.00 27.80 O ATOM 411 CB LEU A 53 18.010 34.764 8.711 1.00 36.61 C ATOM 412 CG LEU A 53 16.716 34.085 8.468 1.00 39.05 C ATOM 413 CD1 LEU A 53 16.389 34.186 7.003 1.00 46.43 C ATOM 414 CD2 LEU A 53 16.852 32.647 8.836 1.00 40.96 C ATOM 0 H LEU A 53 17.840 36.516 10.582 1.00 37.58 H new ATOM 0 HA LEU A 53 18.286 33.867 10.482 1.00 32.09 H new ATOM 0 HB2 LEU A 53 17.923 35.691 8.439 1.00 36.61 H new ATOM 0 HB3 LEU A 53 18.678 34.361 8.134 1.00 36.61 H new ATOM 0 HG LEU A 53 16.015 34.497 8.996 1.00 39.05 H new ATOM 0 HD11 LEU A 53 15.543 33.745 6.829 1.00 46.43 H new ATOM 0 HD12 LEU A 53 16.324 35.120 6.749 1.00 46.43 H new ATOM 0 HD13 LEU A 53 17.089 33.758 6.485 1.00 46.43 H new ATOM 0 HD21 LEU A 53 16.010 32.192 8.681 1.00 40.96 H new ATOM 0 HD22 LEU A 53 17.545 32.238 8.294 1.00 40.96 H new ATOM 0 HD23 LEU A 53 17.091 32.574 9.773 1.00 40.96 H new ATOM 415 N GLU A 54 20.764 33.969 10.336 1.00 27.25 N ATOM 416 CA GLU A 54 22.182 33.996 10.058 1.00 33.86 C ATOM 417 C GLU A 54 22.261 33.086 8.813 1.00 28.55 C ATOM 418 O GLU A 54 21.702 31.979 8.765 1.00 20.04 O ATOM 419 CB GLU A 54 23.001 33.465 11.271 1.00 34.78 C ATOM 420 CG GLU A 54 24.505 33.726 11.136 1.00 39.24 C ATOM 421 CD GLU A 54 25.483 32.771 11.823 1.00 44.89 C ATOM 422 OE1 GLU A 54 25.273 31.555 11.825 1.00 36.65 O ATOM 423 OE2 GLU A 54 26.498 33.255 12.323 1.00 54.90 O ATOM 0 H GLU A 54 20.481 33.229 10.671 1.00 27.25 H new ATOM 0 HA GLU A 54 22.557 34.877 9.905 1.00 33.86 H new ATOM 0 HB2 GLU A 54 22.676 33.885 12.083 1.00 34.78 H new ATOM 0 HB3 GLU A 54 22.850 32.511 11.365 1.00 34.78 H new ATOM 0 HG2 GLU A 54 24.718 33.734 10.190 1.00 39.24 H new ATOM 0 HG3 GLU A 54 24.680 34.618 11.474 1.00 39.24 H new ATOM 424 N ILE A 55 22.882 33.569 7.746 1.00 25.54 N ATOM 425 CA ILE A 55 22.873 32.864 6.466 1.00 29.18 C ATOM 426 C ILE A 55 24.321 32.501 6.144 1.00 24.29 C ATOM 427 O ILE A 55 25.211 33.351 6.258 1.00 27.04 O ATOM 428 CB ILE A 55 22.152 33.736 5.360 1.00 23.50 C ATOM 429 CG1 ILE A 55 20.699 34.091 5.729 1.00 18.16 C ATOM 430 CG2 ILE A 55 22.101 32.940 4.089 1.00 19.34 C ATOM 431 CD1 ILE A 55 20.216 35.453 5.231 1.00 24.59 C ATOM 0 H ILE A 55 23.319 34.310 7.740 1.00 25.54 H new ATOM 0 HA ILE A 55 22.358 32.043 6.501 1.00 29.18 H new ATOM 0 HB ILE A 55 22.657 34.560 5.271 1.00 23.50 H new ATOM 0 HG12 ILE A 55 20.113 33.406 5.372 1.00 18.16 H new ATOM 0 HG13 ILE A 55 20.610 34.065 6.695 1.00 18.16 H new ATOM 0 HG21 ILE A 55 21.661 33.460 3.399 1.00 19.34 H new ATOM 0 HG22 ILE A 55 23.003 32.724 3.806 1.00 19.34 H new ATOM 0 HG23 ILE A 55 21.605 32.120 4.240 1.00 19.34 H new ATOM 0 HD11 ILE A 55 19.297 35.591 5.507 1.00 24.59 H new ATOM 0 HD12 ILE A 55 20.775 36.152 5.606 1.00 24.59 H new ATOM 0 HD13 ILE A 55 20.270 35.481 4.263 1.00 24.59 H new ATOM 432 N LEU A 56 24.575 31.230 5.834 1.00 26.11 N ATOM 433 CA LEU A 56 25.880 30.756 5.379 1.00 30.89 C ATOM 434 C LEU A 56 25.857 30.538 3.859 1.00 26.79 C ATOM 435 O LEU A 56 25.252 29.603 3.325 1.00 20.90 O ATOM 436 CB LEU A 56 26.265 29.418 6.029 1.00 31.49 C ATOM 437 CG LEU A 56 27.707 29.093 6.417 1.00 20.93 C ATOM 438 CD1 LEU A 56 27.857 27.621 6.369 1.00 26.61 C ATOM 439 CD2 LEU A 56 28.779 29.658 5.531 1.00 12.23 C ATOM 0 H LEU A 56 23.982 30.609 5.883 1.00 26.11 H new ATOM 0 HA LEU A 56 26.527 31.433 5.630 1.00 30.89 H new ATOM 0 HB2 LEU A 56 25.733 29.335 6.836 1.00 31.49 H new ATOM 0 HB3 LEU A 56 25.974 28.718 5.424 1.00 31.49 H new ATOM 0 HG LEU A 56 27.835 29.497 7.290 1.00 20.93 H new ATOM 0 HD11 LEU A 56 28.765 27.380 6.611 1.00 26.61 H new ATOM 0 HD12 LEU A 56 27.237 27.212 6.993 1.00 26.61 H new ATOM 0 HD13 LEU A 56 27.667 27.305 5.472 1.00 26.61 H new ATOM 0 HD21 LEU A 56 29.650 29.392 5.866 1.00 12.23 H new ATOM 0 HD22 LEU A 56 28.664 29.321 4.629 1.00 12.23 H new ATOM 0 HD23 LEU A 56 28.717 30.626 5.525 1.00 12.23 H new ATOM 440 N ASP A 57 26.558 31.423 3.170 1.00 19.36 N ATOM 441 CA ASP A 57 26.751 31.327 1.758 1.00 19.62 C ATOM 442 C ASP A 57 28.044 30.572 1.530 1.00 21.39 C ATOM 443 O ASP A 57 29.160 31.057 1.748 1.00 20.33 O ATOM 444 CB ASP A 57 26.802 32.737 1.200 1.00 32.19 C ATOM 445 CG ASP A 57 26.718 32.850 -0.325 1.00 37.55 C ATOM 446 OD1 ASP A 57 26.366 31.899 -1.024 1.00 19.79 O ATOM 447 OD2 ASP A 57 27.004 33.932 -0.819 1.00 24.66 O ATOM 0 H ASP A 57 26.938 32.106 3.527 1.00 19.36 H new ATOM 0 HA ASP A 57 26.034 30.852 1.310 1.00 19.62 H new ATOM 0 HB2 ASP A 57 26.073 33.247 1.586 1.00 32.19 H new ATOM 0 HB3 ASP A 57 27.627 33.154 1.494 1.00 32.19 H new ATOM 448 N THR A 58 27.882 29.339 1.116 1.00 26.43 N ATOM 449 CA THR A 58 29.029 28.483 0.936 1.00 35.43 C ATOM 450 C THR A 58 29.696 28.684 -0.439 1.00 41.77 C ATOM 451 O THR A 58 29.275 29.494 -1.299 1.00 47.10 O ATOM 452 CB THR A 58 28.524 27.050 1.190 1.00 38.31 C ATOM 453 OG1 THR A 58 27.527 26.825 0.209 1.00 37.02 O ATOM 454 CG2 THR A 58 27.920 26.887 2.577 1.00 26.31 C ATOM 0 H THR A 58 27.123 28.978 0.934 1.00 26.43 H new ATOM 0 HA THR A 58 29.742 28.696 1.558 1.00 35.43 H new ATOM 0 HB THR A 58 29.259 26.419 1.138 1.00 38.31 H new ATOM 0 HG1 THR A 58 26.771 26.997 0.533 1.00 37.02 H new ATOM 0 HG21 THR A 58 27.617 25.973 2.693 1.00 26.31 H new ATOM 0 HG22 THR A 58 28.590 27.092 3.248 1.00 26.31 H new ATOM 0 HG23 THR A 58 27.168 27.492 2.676 1.00 26.31 H new ATOM 455 N ALA A 59 30.803 27.982 -0.645 1.00 46.66 N ATOM 456 CA ALA A 59 31.370 27.802 -1.960 1.00 45.81 C ATOM 457 C ALA A 59 30.839 26.503 -2.559 1.00 48.27 C ATOM 458 O ALA A 59 30.734 25.444 -1.928 1.00 50.87 O ATOM 459 CB ALA A 59 32.855 27.647 -1.839 1.00 38.09 C ATOM 0 H ALA A 59 31.245 27.596 -0.017 1.00 46.66 H new ATOM 0 HA ALA A 59 31.139 28.566 -2.512 1.00 45.81 H new ATOM 0 HB1 ALA A 59 33.241 27.526 -2.721 1.00 38.09 H new ATOM 0 HB2 ALA A 59 33.231 28.441 -1.428 1.00 38.09 H new ATOM 0 HB3 ALA A 59 33.056 26.873 -1.289 1.00 38.09 H new ATOM 460 N GLY A 60 30.465 26.609 -3.829 1.00 50.84 N ATOM 461 CA GLY A 60 30.225 25.431 -4.638 1.00 61.14 C ATOM 462 C GLY A 60 31.514 24.893 -5.250 1.00 68.92 C ATOM 463 O GLY A 60 31.503 23.876 -5.948 1.00 76.01 O ATOM 0 H GLY A 60 30.346 27.356 -4.238 1.00 50.84 H new ATOM 0 HA2 GLY A 60 29.814 24.742 -4.093 1.00 61.14 H new ATOM 0 HA3 GLY A 60 29.596 25.646 -5.345 1.00 61.14 H new ATOM 464 N THR A 61 32.638 25.592 -5.057 1.00 72.99 N ATOM 465 CA THR A 61 33.966 25.203 -5.506 1.00 75.62 C ATOM 466 C THR A 61 34.422 23.916 -4.821 1.00 79.00 C ATOM 467 O THR A 61 34.719 23.901 -3.624 1.00 81.96 O ATOM 468 CB THR A 61 34.917 26.364 -5.138 1.00 72.72 C ATOM 469 OG1 THR A 61 34.305 27.552 -5.642 1.00 87.40 O ATOM 470 CG2 THR A 61 36.330 26.184 -5.682 1.00 80.55 C ATOM 0 H THR A 61 32.639 26.343 -4.639 1.00 72.99 H new ATOM 0 HA THR A 61 33.965 25.034 -6.461 1.00 75.62 H new ATOM 0 HB THR A 61 35.036 26.402 -4.176 1.00 72.72 H new ATOM 0 HG1 THR A 61 34.789 28.215 -5.463 1.00 87.40 H new ATOM 0 HG21 THR A 61 36.877 26.941 -5.419 1.00 80.55 H new ATOM 0 HG22 THR A 61 36.714 25.368 -5.323 1.00 80.55 H new ATOM 0 HG23 THR A 61 36.300 26.128 -6.650 1.00 80.55 H new ATOM 471 N GLU A 62 34.529 22.855 -5.621 1.00 78.89 N ATOM 472 CA GLU A 62 34.994 21.512 -5.242 1.00 77.64 C ATOM 473 C GLU A 62 35.923 21.262 -4.040 1.00 75.15 C ATOM 474 O GLU A 62 35.746 20.275 -3.315 1.00 75.55 O ATOM 475 CB GLU A 62 35.673 20.892 -6.443 1.00 83.84 C ATOM 476 CG GLU A 62 34.815 20.712 -7.678 1.00 93.72 C ATOM 477 CD GLU A 62 35.694 20.675 -8.921 1.00 99.43 C ATOM 478 OE1 GLU A 62 36.355 19.658 -9.169 1.00 99.18 O ATOM 479 OE2 GLU A 62 35.732 21.687 -9.626 1.00 99.97 O ATOM 0 H GLU A 62 34.319 22.900 -6.454 1.00 78.89 H new ATOM 0 HA GLU A 62 34.159 21.126 -4.935 1.00 77.64 H new ATOM 0 HB2 GLU A 62 36.436 21.442 -6.680 1.00 83.84 H new ATOM 0 HB3 GLU A 62 36.019 20.024 -6.183 1.00 83.84 H new ATOM 0 HG2 GLU A 62 34.304 19.890 -7.609 1.00 93.72 H new ATOM 0 HG3 GLU A 62 34.176 21.439 -7.746 1.00 93.72 H new ATOM 480 N GLN A 63 36.939 22.109 -3.820 1.00 70.34 N ATOM 481 CA GLN A 63 37.823 22.001 -2.660 1.00 68.68 C ATOM 482 C GLN A 63 37.137 22.162 -1.289 1.00 68.12 C ATOM 483 O GLN A 63 37.336 21.355 -0.367 1.00 68.00 O ATOM 484 CB GLN A 63 39.005 22.964 -2.803 1.00 70.03 C ATOM 485 CG GLN A 63 38.669 24.421 -3.153 1.00 65.98 C ATOM 486 CD GLN A 63 39.868 25.352 -3.076 1.00 71.98 C ATOM 487 OE1 GLN A 63 40.791 25.103 -2.315 1.00 65.61 O ATOM 488 NE2 GLN A 63 39.909 26.453 -3.820 1.00 75.59 N ATOM 0 H GLN A 63 37.131 22.763 -4.344 1.00 70.34 H new ATOM 0 HA GLN A 63 38.138 21.084 -2.663 1.00 68.68 H new ATOM 0 HB2 GLN A 63 39.502 22.960 -1.970 1.00 70.03 H new ATOM 0 HB3 GLN A 63 39.597 22.617 -3.488 1.00 70.03 H new ATOM 0 HG2 GLN A 63 38.299 24.454 -4.049 1.00 65.98 H new ATOM 0 HG3 GLN A 63 37.980 24.741 -2.550 1.00 65.98 H new ATOM 0 HE21 GLN A 63 39.262 26.633 -4.357 1.00 75.59 H new ATOM 0 HE22 GLN A 63 40.582 26.985 -3.764 1.00 75.59 H new ATOM 489 N PHE A 64 36.241 23.160 -1.151 1.00 64.62 N ATOM 490 CA PHE A 64 35.619 23.519 0.119 1.00 59.81 C ATOM 491 C PHE A 64 34.566 22.530 0.615 1.00 61.90 C ATOM 492 O PHE A 64 34.051 22.656 1.729 1.00 65.12 O ATOM 493 CB PHE A 64 35.082 24.962 0.078 1.00 55.24 C ATOM 494 CG PHE A 64 36.181 26.001 -0.125 1.00 57.92 C ATOM 495 CD1 PHE A 64 37.153 26.189 0.838 1.00 54.79 C ATOM 496 CD2 PHE A 64 36.254 26.700 -1.313 1.00 68.89 C ATOM 497 CE1 PHE A 64 38.215 27.027 0.586 1.00 55.97 C ATOM 498 CE2 PHE A 64 37.313 27.552 -1.548 1.00 76.60 C ATOM 499 CZ PHE A 64 38.301 27.707 -0.604 1.00 71.80 C ATOM 0 H PHE A 64 35.981 23.648 -1.809 1.00 64.62 H new ATOM 0 HA PHE A 64 36.326 23.469 0.781 1.00 59.81 H new ATOM 0 HB2 PHE A 64 34.433 25.040 -0.639 1.00 55.24 H new ATOM 0 HB3 PHE A 64 34.614 25.151 0.906 1.00 55.24 H new ATOM 0 HD1 PHE A 64 37.090 25.750 1.655 1.00 54.79 H new ATOM 0 HD2 PHE A 64 35.589 26.597 -1.955 1.00 68.89 H new ATOM 0 HE1 PHE A 64 38.880 27.134 1.227 1.00 55.97 H new ATOM 0 HE2 PHE A 64 37.359 28.024 -2.348 1.00 76.60 H new ATOM 0 HZ PHE A 64 39.023 28.269 -0.771 1.00 71.80 H new ATOM 500 N ALA A 65 34.272 21.474 -0.146 1.00 60.34 N ATOM 501 CA ALA A 65 33.412 20.395 0.314 1.00 62.24 C ATOM 502 C ALA A 65 33.910 19.711 1.588 1.00 62.73 C ATOM 503 O ALA A 65 33.101 19.112 2.304 1.00 61.56 O ATOM 504 CB ALA A 65 33.293 19.332 -0.771 1.00 72.36 C ATOM 0 H ALA A 65 34.569 21.368 -0.946 1.00 60.34 H new ATOM 0 HA ALA A 65 32.556 20.806 0.513 1.00 62.24 H new ATOM 0 HB1 ALA A 65 32.719 18.615 -0.460 1.00 72.36 H new ATOM 0 HB2 ALA A 65 32.912 19.727 -1.571 1.00 72.36 H new ATOM 0 HB3 ALA A 65 34.172 18.977 -0.974 1.00 72.36 H new ATOM 505 N SER A 66 35.216 19.839 1.909 1.00 63.86 N ATOM 506 CA SER A 66 35.804 19.382 3.175 1.00 65.09 C ATOM 507 C SER A 66 35.110 19.957 4.415 1.00 65.69 C ATOM 508 O SER A 66 34.897 19.303 5.446 1.00 69.89 O ATOM 509 CB SER A 66 37.320 19.681 3.208 1.00 60.53 C ATOM 510 OG SER A 66 37.685 20.957 2.689 1.00 68.82 O ATOM 0 H SER A 66 35.790 20.202 1.381 1.00 63.86 H new ATOM 0 HA SER A 66 35.665 18.423 3.210 1.00 65.09 H new ATOM 0 HB2 SER A 66 37.630 19.617 4.125 1.00 60.53 H new ATOM 0 HB3 SER A 66 37.784 18.995 2.703 1.00 60.53 H new ATOM 0 HG SER A 66 37.663 20.935 1.850 1.00 68.82 H new ATOM 511 N MET A 67 34.682 21.210 4.258 1.00 61.80 N ATOM 512 CA MET A 67 34.011 21.961 5.296 1.00 55.59 C ATOM 513 C MET A 67 32.544 21.604 5.447 1.00 53.82 C ATOM 514 O MET A 67 31.943 21.888 6.487 1.00 53.02 O ATOM 515 CB MET A 67 34.147 23.424 4.944 1.00 59.43 C ATOM 516 CG MET A 67 35.571 23.935 4.986 1.00 46.53 C ATOM 517 SD MET A 67 36.078 24.004 6.714 1.00 53.55 S ATOM 518 CE MET A 67 37.133 22.595 6.910 1.00 51.73 C ATOM 0 H MET A 67 34.780 21.650 3.525 1.00 61.80 H new ATOM 0 HA MET A 67 34.424 21.747 6.147 1.00 55.59 H new ATOM 0 HB2 MET A 67 33.787 23.568 4.055 1.00 59.43 H new ATOM 0 HB3 MET A 67 33.607 23.947 5.557 1.00 59.43 H new ATOM 0 HG2 MET A 67 36.158 23.349 4.482 1.00 46.53 H new ATOM 0 HG3 MET A 67 35.629 24.813 4.579 1.00 46.53 H new ATOM 0 HE1 MET A 67 37.076 22.272 7.823 1.00 51.73 H new ATOM 0 HE2 MET A 67 36.853 21.894 6.301 1.00 51.73 H new ATOM 0 HE3 MET A 67 38.049 22.847 6.713 1.00 51.73 H new ATOM 519 N ARG A 68 31.960 20.936 4.445 1.00 53.62 N ATOM 520 CA ARG A 68 30.515 20.839 4.299 1.00 53.16 C ATOM 521 C ARG A 68 29.903 20.136 5.495 1.00 53.19 C ATOM 522 O ARG A 68 28.887 20.585 6.015 1.00 58.72 O ATOM 523 CB ARG A 68 30.097 20.186 2.965 1.00 43.33 C ATOM 524 CG ARG A 68 28.671 20.576 2.579 1.00 50.07 C ATOM 525 CD ARG A 68 28.188 20.040 1.241 1.00 48.31 C ATOM 526 NE ARG A 68 28.873 20.653 0.115 1.00 60.15 N ATOM 527 CZ ARG A 68 29.390 19.923 -0.887 1.00 68.99 C ATOM 528 NH1 ARG A 68 29.320 18.583 -0.920 1.00 58.37 N ATOM 529 NH2 ARG A 68 29.996 20.558 -1.890 1.00 76.29 N ATOM 0 H ARG A 68 32.400 20.526 3.830 1.00 53.62 H new ATOM 0 HA ARG A 68 30.164 21.743 4.272 1.00 53.16 H new ATOM 0 HB2 ARG A 68 30.710 20.457 2.264 1.00 43.33 H new ATOM 0 HB3 ARG A 68 30.161 19.221 3.041 1.00 43.33 H new ATOM 0 HG2 ARG A 68 28.068 20.264 3.272 1.00 50.07 H new ATOM 0 HG3 ARG A 68 28.609 21.544 2.564 1.00 50.07 H new ATOM 0 HD2 ARG A 68 28.322 19.080 1.213 1.00 48.31 H new ATOM 0 HD3 ARG A 68 27.234 20.196 1.159 1.00 48.31 H new ATOM 0 HE ARG A 68 28.950 21.509 0.090 1.00 60.15 H new ATOM 0 HH11 ARG A 68 28.932 18.157 -0.282 1.00 58.37 H new ATOM 0 HH12 ARG A 68 29.663 18.151 -1.579 1.00 58.37 H new ATOM 0 HH21 ARG A 68 30.049 21.416 -1.886 1.00 76.29 H new ATOM 0 HH22 ARG A 68 30.334 20.109 -2.541 1.00 76.29 H new ATOM 530 N ASP A 69 30.563 19.112 6.024 1.00 55.88 N ATOM 531 CA ASP A 69 30.088 18.411 7.212 1.00 52.92 C ATOM 532 C ASP A 69 30.000 19.319 8.442 1.00 45.76 C ATOM 533 O ASP A 69 29.051 19.221 9.222 1.00 38.12 O ATOM 534 CB ASP A 69 30.963 17.169 7.481 1.00 64.90 C ATOM 535 CG ASP A 69 30.930 16.084 6.387 1.00 78.86 C ATOM 536 OD1 ASP A 69 29.850 15.584 6.045 1.00 74.21 O ATOM 537 OD2 ASP A 69 32.000 15.728 5.884 1.00 92.91 O ATOM 0 H ASP A 69 31.299 18.803 5.704 1.00 55.88 H new ATOM 0 HA ASP A 69 29.180 18.119 7.035 1.00 52.92 H new ATOM 0 HB2 ASP A 69 31.881 17.459 7.599 1.00 64.90 H new ATOM 0 HB3 ASP A 69 30.681 16.770 8.319 1.00 64.90 H new ATOM 538 N LEU A 70 30.929 20.265 8.591 1.00 39.04 N ATOM 539 CA LEU A 70 30.837 21.249 9.652 1.00 41.58 C ATOM 540 C LEU A 70 29.665 22.179 9.432 1.00 42.17 C ATOM 541 O LEU A 70 28.912 22.404 10.370 1.00 40.76 O ATOM 542 CB LEU A 70 32.103 22.069 9.819 1.00 38.75 C ATOM 543 CG LEU A 70 33.271 21.437 10.556 1.00 37.44 C ATOM 544 CD1 LEU A 70 33.772 20.158 9.882 1.00 53.78 C ATOM 545 CD2 LEU A 70 34.390 22.455 10.681 1.00 40.50 C ATOM 0 H LEU A 70 31.619 20.349 8.084 1.00 39.04 H new ATOM 0 HA LEU A 70 30.706 20.742 10.468 1.00 41.58 H new ATOM 0 HB2 LEU A 70 32.412 22.322 8.935 1.00 38.75 H new ATOM 0 HB3 LEU A 70 31.867 22.888 10.282 1.00 38.75 H new ATOM 0 HG LEU A 70 32.962 21.175 11.437 1.00 37.44 H new ATOM 0 HD11 LEU A 70 34.515 19.795 10.389 1.00 53.78 H new ATOM 0 HD12 LEU A 70 33.054 19.507 9.849 1.00 53.78 H new ATOM 0 HD13 LEU A 70 34.065 20.361 8.980 1.00 53.78 H new ATOM 0 HD21 LEU A 70 35.139 22.057 11.151 1.00 40.50 H new ATOM 0 HD22 LEU A 70 34.675 22.733 9.797 1.00 40.50 H new ATOM 0 HD23 LEU A 70 34.072 23.227 11.175 1.00 40.50 H new ATOM 546 N TYR A 71 29.454 22.676 8.209 1.00 41.65 N ATOM 547 CA TYR A 71 28.315 23.537 7.885 1.00 36.89 C ATOM 548 C TYR A 71 26.963 22.890 8.161 1.00 34.19 C ATOM 549 O TYR A 71 26.046 23.531 8.677 1.00 33.06 O ATOM 550 CB TYR A 71 28.316 23.918 6.418 1.00 28.72 C ATOM 551 CG TYR A 71 29.576 24.573 5.887 1.00 27.97 C ATOM 552 CD1 TYR A 71 30.429 25.309 6.697 1.00 17.31 C ATOM 553 CD2 TYR A 71 29.815 24.454 4.534 1.00 23.16 C ATOM 554 CE1 TYR A 71 31.496 25.977 6.127 1.00 29.99 C ATOM 555 CE2 TYR A 71 30.893 25.100 3.970 1.00 14.24 C ATOM 556 CZ TYR A 71 31.710 25.866 4.765 1.00 21.80 C ATOM 557 OH TYR A 71 32.763 26.524 4.175 1.00 29.49 O ATOM 0 H TYR A 71 29.973 22.521 7.541 1.00 41.65 H new ATOM 0 HA TYR A 71 28.425 24.311 8.460 1.00 36.89 H new ATOM 0 HB2 TYR A 71 28.148 23.117 5.897 1.00 28.72 H new ATOM 0 HB3 TYR A 71 27.572 24.520 6.261 1.00 28.72 H new ATOM 0 HD1 TYR A 71 30.284 25.352 7.615 1.00 17.31 H new ATOM 0 HD2 TYR A 71 29.250 23.939 4.004 1.00 23.16 H new ATOM 0 HE1 TYR A 71 32.063 26.494 6.652 1.00 29.99 H new ATOM 0 HE2 TYR A 71 31.066 25.018 3.060 1.00 14.24 H new ATOM 0 HH TYR A 71 33.035 27.133 4.686 1.00 29.49 H new ATOM 558 N ILE A 72 26.848 21.618 7.791 1.00 31.06 N ATOM 559 CA ILE A 72 25.640 20.835 8.003 1.00 39.49 C ATOM 560 C ILE A 72 25.389 20.609 9.489 1.00 46.96 C ATOM 561 O ILE A 72 24.244 20.649 9.919 1.00 53.37 O ATOM 562 CB ILE A 72 25.704 19.475 7.231 1.00 39.56 C ATOM 563 CG1 ILE A 72 25.879 19.648 5.709 1.00 38.35 C ATOM 564 CG2 ILE A 72 24.441 18.659 7.508 1.00 26.72 C ATOM 565 CD1 ILE A 72 26.196 18.373 4.908 1.00 49.86 C ATOM 0 H ILE A 72 27.480 21.181 7.404 1.00 31.06 H new ATOM 0 HA ILE A 72 24.893 21.342 7.648 1.00 39.49 H new ATOM 0 HB ILE A 72 26.489 19.009 7.557 1.00 39.56 H new ATOM 0 HG12 ILE A 72 25.066 20.037 5.352 1.00 38.35 H new ATOM 0 HG13 ILE A 72 26.591 20.288 5.556 1.00 38.35 H new ATOM 0 HG21 ILE A 72 24.487 17.818 7.027 1.00 26.72 H new ATOM 0 HG22 ILE A 72 24.371 18.483 8.459 1.00 26.72 H new ATOM 0 HG23 ILE A 72 23.663 19.157 7.214 1.00 26.72 H new ATOM 0 HD11 ILE A 72 26.285 18.595 3.968 1.00 49.86 H new ATOM 0 HD12 ILE A 72 27.026 17.987 5.229 1.00 49.86 H new ATOM 0 HD13 ILE A 72 25.477 17.732 5.022 1.00 49.86 H new ATOM 566 N LYS A 73 26.426 20.337 10.285 1.00 52.87 N ATOM 567 CA LYS A 73 26.263 20.132 11.714 1.00 53.78 C ATOM 568 C LYS A 73 25.856 21.446 12.373 1.00 47.46 C ATOM 569 O LYS A 73 24.851 21.502 13.080 1.00 45.72 O ATOM 570 CB LYS A 73 27.562 19.559 12.298 1.00 69.04 C ATOM 571 CG LYS A 73 27.276 18.269 13.073 1.00 82.84 C ATOM 572 CD LYS A 73 28.418 17.237 13.059 1.00 86.90 C ATOM 573 CE LYS A 73 27.952 15.972 13.798 1.00 87.15 C ATOM 574 NZ LYS A 73 28.753 14.804 13.476 1.00 99.79 N ATOM 0 H LYS A 73 27.237 20.268 10.008 1.00 52.87 H new ATOM 0 HA LYS A 73 25.557 19.490 11.889 1.00 53.78 H new ATOM 0 HB2 LYS A 73 28.194 19.381 11.584 1.00 69.04 H new ATOM 0 HB3 LYS A 73 27.975 20.211 12.885 1.00 69.04 H new ATOM 0 HG2 LYS A 73 27.076 18.498 13.994 1.00 82.84 H new ATOM 0 HG3 LYS A 73 26.480 17.856 12.704 1.00 82.84 H new ATOM 0 HD2 LYS A 73 28.664 17.021 12.146 1.00 86.90 H new ATOM 0 HD3 LYS A 73 29.208 17.604 13.487 1.00 86.90 H new ATOM 0 HE2 LYS A 73 27.988 16.130 14.754 1.00 87.15 H new ATOM 0 HE3 LYS A 73 27.025 15.795 13.574 1.00 87.15 H new ATOM 0 HZ1 LYS A 73 28.446 14.100 13.926 1.00 99.79 H new ATOM 0 HZ2 LYS A 73 28.704 14.642 12.602 1.00 99.79 H new ATOM 0 HZ3 LYS A 73 29.601 14.954 13.702 1.00 99.79 H new ATOM 575 N ASN A 74 26.566 22.536 12.069 1.00 37.81 N ATOM 576 CA ASN A 74 26.306 23.859 12.642 1.00 36.08 C ATOM 577 C ASN A 74 25.075 24.585 12.100 1.00 40.18 C ATOM 578 O ASN A 74 24.958 25.801 12.313 1.00 45.85 O ATOM 579 CB ASN A 74 27.504 24.807 12.428 1.00 36.66 C ATOM 580 CG ASN A 74 28.869 24.407 13.005 1.00 55.93 C ATOM 581 OD1 ASN A 74 29.028 23.525 13.847 1.00 60.73 O ATOM 582 ND2 ASN A 74 29.956 25.040 12.576 1.00 58.13 N ATOM 0 H ASN A 74 27.223 22.526 11.514 1.00 37.81 H new ATOM 0 HA ASN A 74 26.149 23.662 13.579 1.00 36.08 H new ATOM 0 HB2 ASN A 74 27.613 24.933 11.472 1.00 36.66 H new ATOM 0 HB3 ASN A 74 27.267 25.670 12.802 1.00 36.66 H new ATOM 0 HD21 ASN A 74 30.729 24.826 12.887 1.00 58.13 H new ATOM 0 HD22 ASN A 74 29.887 25.663 11.987 1.00 58.13 H new ATOM 583 N GLY A 75 24.111 23.936 11.429 1.00 36.47 N ATOM 584 CA GLY A 75 23.088 24.637 10.680 1.00 29.24 C ATOM 585 C GLY A 75 21.736 24.006 10.893 1.00 27.89 C ATOM 586 O GLY A 75 21.661 22.824 11.167 1.00 30.69 O ATOM 0 H GLY A 75 24.042 23.079 11.403 1.00 36.47 H new ATOM 0 HA2 GLY A 75 23.062 25.567 10.954 1.00 29.24 H new ATOM 0 HA3 GLY A 75 23.309 24.626 9.736 1.00 29.24 H new ATOM 587 N GLN A 76 20.639 24.742 10.788 1.00 28.95 N ATOM 588 CA GLN A 76 19.322 24.210 11.087 1.00 39.96 C ATOM 589 C GLN A 76 18.432 23.999 9.872 1.00 45.55 C ATOM 590 O GLN A 76 17.696 23.016 9.773 1.00 53.20 O ATOM 591 CB GLN A 76 18.609 25.171 12.021 1.00 53.66 C ATOM 592 CG GLN A 76 19.253 25.280 13.398 1.00 62.49 C ATOM 593 CD GLN A 76 19.018 26.618 14.080 1.00 67.86 C ATOM 594 OE1 GLN A 76 18.177 27.430 13.695 1.00 63.86 O ATOM 595 NE2 GLN A 76 19.817 26.912 15.095 1.00 76.45 N ATOM 0 H GLN A 76 20.639 25.566 10.541 1.00 28.95 H new ATOM 0 HA GLN A 76 19.472 23.337 11.482 1.00 39.96 H new ATOM 0 HB2 GLN A 76 18.588 26.050 11.612 1.00 53.66 H new ATOM 0 HB3 GLN A 76 17.688 24.884 12.125 1.00 53.66 H new ATOM 0 HG2 GLN A 76 18.907 24.572 13.964 1.00 62.49 H new ATOM 0 HG3 GLN A 76 20.208 25.134 13.312 1.00 62.49 H new ATOM 0 HE21 GLN A 76 20.403 26.341 15.360 1.00 76.45 H new ATOM 0 HE22 GLN A 76 19.750 27.674 15.489 1.00 76.45 H new ATOM 596 N GLY A 77 18.431 24.976 8.973 1.00 46.69 N ATOM 597 CA GLY A 77 17.669 24.903 7.741 1.00 43.86 C ATOM 598 C GLY A 77 18.623 24.991 6.567 1.00 38.22 C ATOM 599 O GLY A 77 19.656 25.667 6.629 1.00 29.62 O ATOM 0 H GLY A 77 18.878 25.705 9.065 1.00 46.69 H new ATOM 0 HA2 GLY A 77 17.169 24.073 7.705 1.00 43.86 H new ATOM 0 HA3 GLY A 77 17.023 25.626 7.703 1.00 43.86 H new ATOM 600 N PHE A 78 18.312 24.310 5.476 1.00 40.81 N ATOM 601 CA PHE A 78 19.175 24.279 4.305 1.00 38.50 C ATOM 602 C PHE A 78 18.374 24.600 3.044 1.00 36.32 C ATOM 603 O PHE A 78 17.310 24.030 2.773 1.00 34.56 O ATOM 604 CB PHE A 78 19.824 22.902 4.174 1.00 39.46 C ATOM 605 CG PHE A 78 20.650 22.480 5.378 1.00 35.76 C ATOM 606 CD1 PHE A 78 21.977 22.851 5.454 1.00 30.85 C ATOM 607 CD2 PHE A 78 20.045 21.799 6.419 1.00 37.64 C ATOM 608 CE1 PHE A 78 22.674 22.596 6.608 1.00 28.61 C ATOM 609 CE2 PHE A 78 20.759 21.547 7.563 1.00 27.09 C ATOM 610 CZ PHE A 78 22.062 21.961 7.658 1.00 18.15 C ATOM 0 H PHE A 78 17.590 23.850 5.392 1.00 40.81 H new ATOM 0 HA PHE A 78 19.868 24.949 4.411 1.00 38.50 H new ATOM 0 HB2 PHE A 78 19.129 22.242 4.025 1.00 39.46 H new ATOM 0 HB3 PHE A 78 20.392 22.898 3.388 1.00 39.46 H new ATOM 0 HD1 PHE A 78 22.393 23.268 4.734 1.00 30.85 H new ATOM 0 HD2 PHE A 78 19.163 21.515 6.344 1.00 37.64 H new ATOM 0 HE1 PHE A 78 23.565 22.855 6.678 1.00 28.61 H new ATOM 0 HE2 PHE A 78 20.360 21.097 8.272 1.00 27.09 H new ATOM 0 HZ PHE A 78 22.536 21.810 8.443 1.00 18.15 H new ATOM 611 N ILE A 79 18.863 25.568 2.279 1.00 33.08 N ATOM 612 CA ILE A 79 18.294 25.925 0.983 1.00 29.16 C ATOM 613 C ILE A 79 19.189 25.231 -0.055 1.00 26.88 C ATOM 614 O ILE A 79 20.399 25.479 -0.094 1.00 21.33 O ATOM 615 CB ILE A 79 18.260 27.477 0.866 1.00 25.60 C ATOM 616 CG1 ILE A 79 17.269 28.090 1.854 1.00 27.37 C ATOM 617 CG2 ILE A 79 17.925 27.926 -0.551 1.00 38.48 C ATOM 618 CD1 ILE A 79 17.280 29.625 1.894 1.00 15.99 C ATOM 0 H ILE A 79 19.545 26.044 2.500 1.00 33.08 H new ATOM 0 HA ILE A 79 17.378 25.635 0.851 1.00 29.16 H new ATOM 0 HB ILE A 79 19.150 27.794 1.085 1.00 25.60 H new ATOM 0 HG12 ILE A 79 16.375 27.790 1.627 1.00 27.37 H new ATOM 0 HG13 ILE A 79 17.464 27.753 2.742 1.00 27.37 H new ATOM 0 HG21 ILE A 79 17.912 28.895 -0.589 1.00 38.48 H new ATOM 0 HG22 ILE A 79 18.596 27.588 -1.165 1.00 38.48 H new ATOM 0 HG23 ILE A 79 17.054 27.581 -0.802 1.00 38.48 H new ATOM 0 HD11 ILE A 79 16.628 29.937 2.541 1.00 15.99 H new ATOM 0 HD12 ILE A 79 18.163 29.936 2.149 1.00 15.99 H new ATOM 0 HD13 ILE A 79 17.056 29.973 1.017 1.00 15.99 H new ATOM 619 N LEU A 80 18.662 24.306 -0.863 1.00 30.93 N ATOM 620 CA LEU A 80 19.444 23.588 -1.873 1.00 32.00 C ATOM 621 C LEU A 80 19.114 24.137 -3.254 1.00 32.09 C ATOM 622 O LEU A 80 17.987 24.018 -3.745 1.00 31.14 O ATOM 623 CB LEU A 80 19.130 22.107 -1.811 1.00 29.21 C ATOM 624 CG LEU A 80 19.575 21.355 -0.579 1.00 30.90 C ATOM 625 CD1 LEU A 80 18.647 20.185 -0.327 1.00 43.96 C ATOM 626 CD2 LEU A 80 21.025 20.960 -0.719 1.00 21.20 C ATOM 0 H LEU A 80 17.834 24.077 -0.839 1.00 30.93 H new ATOM 0 HA LEU A 80 20.390 23.713 -1.698 1.00 32.00 H new ATOM 0 HB2 LEU A 80 18.170 22.000 -1.897 1.00 29.21 H new ATOM 0 HB3 LEU A 80 19.533 21.682 -2.584 1.00 29.21 H new ATOM 0 HG LEU A 80 19.519 21.922 0.206 1.00 30.90 H new ATOM 0 HD11 LEU A 80 18.937 19.706 0.465 1.00 43.96 H new ATOM 0 HD12 LEU A 80 17.743 20.511 -0.194 1.00 43.96 H new ATOM 0 HD13 LEU A 80 18.665 19.587 -1.091 1.00 43.96 H new ATOM 0 HD21 LEU A 80 21.307 20.477 0.074 1.00 21.20 H new ATOM 0 HD22 LEU A 80 21.132 20.392 -1.498 1.00 21.20 H new ATOM 0 HD23 LEU A 80 21.569 21.756 -0.823 1.00 21.20 H new ATOM 627 N VAL A 81 20.112 24.766 -3.859 1.00 30.26 N ATOM 628 CA VAL A 81 19.948 25.513 -5.103 1.00 31.88 C ATOM 629 C VAL A 81 20.489 24.766 -6.331 1.00 33.82 C ATOM 630 O VAL A 81 21.583 24.200 -6.331 1.00 30.89 O ATOM 631 CB VAL A 81 20.619 26.917 -4.950 1.00 34.36 C ATOM 632 CG1 VAL A 81 20.332 27.884 -6.100 1.00 21.90 C ATOM 633 CG2 VAL A 81 20.165 27.567 -3.652 1.00 27.97 C ATOM 0 H VAL A 81 20.917 24.772 -3.556 1.00 30.26 H new ATOM 0 HA VAL A 81 18.997 25.619 -5.263 1.00 31.88 H new ATOM 0 HB VAL A 81 21.574 26.748 -4.954 1.00 34.36 H new ATOM 0 HG11 VAL A 81 20.780 28.728 -5.933 1.00 21.90 H new ATOM 0 HG12 VAL A 81 20.658 27.504 -6.931 1.00 21.90 H new ATOM 0 HG13 VAL A 81 19.376 28.034 -6.166 1.00 21.90 H new ATOM 0 HG21 VAL A 81 20.584 28.437 -3.562 1.00 27.97 H new ATOM 0 HG22 VAL A 81 19.201 27.672 -3.663 1.00 27.97 H new ATOM 0 HG23 VAL A 81 20.420 27.007 -2.903 1.00 27.97 H new ATOM 634 N TYR A 82 19.703 24.728 -7.398 1.00 33.82 N ATOM 635 CA TYR A 82 20.219 24.329 -8.685 1.00 31.89 C ATOM 636 C TYR A 82 19.963 25.479 -9.656 1.00 29.65 C ATOM 637 O TYR A 82 19.120 26.338 -9.399 1.00 28.00 O ATOM 638 CB TYR A 82 19.640 22.960 -9.110 1.00 24.32 C ATOM 639 CG TYR A 82 18.153 22.874 -9.412 1.00 37.11 C ATOM 640 CD1 TYR A 82 17.709 23.163 -10.692 1.00 29.31 C ATOM 641 CD2 TYR A 82 17.247 22.495 -8.437 1.00 29.39 C ATOM 642 CE1 TYR A 82 16.368 23.076 -11.003 1.00 35.50 C ATOM 643 CE2 TYR A 82 15.899 22.409 -8.753 1.00 38.17 C ATOM 644 CZ TYR A 82 15.471 22.691 -10.037 1.00 31.30 C ATOM 645 OH TYR A 82 14.142 22.579 -10.378 1.00 36.13 O ATOM 0 H TYR A 82 18.867 24.931 -7.392 1.00 33.82 H new ATOM 0 HA TYR A 82 21.177 24.175 -8.665 1.00 31.89 H new ATOM 0 HB2 TYR A 82 20.121 22.667 -9.900 1.00 24.32 H new ATOM 0 HB3 TYR A 82 19.837 22.323 -8.406 1.00 24.32 H new ATOM 0 HD1 TYR A 82 18.319 23.417 -11.346 1.00 29.31 H new ATOM 0 HD2 TYR A 82 17.540 22.299 -7.576 1.00 29.39 H new ATOM 0 HE1 TYR A 82 16.073 23.277 -11.862 1.00 35.50 H new ATOM 0 HE2 TYR A 82 15.283 22.162 -8.101 1.00 38.17 H new ATOM 0 HH TYR A 82 13.665 22.792 -9.720 1.00 36.13 H new ATOM 646 N SER A 83 20.692 25.601 -10.761 1.00 32.84 N ATOM 647 CA SER A 83 20.334 26.477 -11.862 1.00 30.32 C ATOM 648 C SER A 83 19.480 25.666 -12.845 1.00 33.45 C ATOM 649 O SER A 83 19.860 24.580 -13.312 1.00 27.97 O ATOM 650 CB SER A 83 21.612 26.978 -12.504 1.00 30.87 C ATOM 651 OG SER A 83 21.440 27.744 -13.684 1.00 33.19 O ATOM 0 H SER A 83 21.423 25.167 -10.891 1.00 32.84 H new ATOM 0 HA SER A 83 19.822 27.247 -11.568 1.00 30.32 H new ATOM 0 HB2 SER A 83 22.093 27.515 -11.855 1.00 30.87 H new ATOM 0 HB3 SER A 83 22.173 26.214 -12.711 1.00 30.87 H new ATOM 0 HG SER A 83 22.187 27.871 -14.047 1.00 33.19 H new ATOM 652 N LEU A 84 18.284 26.149 -13.191 1.00 32.18 N ATOM 653 CA LEU A 84 17.458 25.419 -14.134 1.00 35.53 C ATOM 654 C LEU A 84 17.984 25.465 -15.576 1.00 36.19 C ATOM 655 O LEU A 84 17.640 24.648 -16.431 1.00 37.22 O ATOM 656 CB LEU A 84 16.000 25.775 -13.968 1.00 25.99 C ATOM 657 CG LEU A 84 15.571 27.197 -13.948 1.00 20.12 C ATOM 658 CD1 LEU A 84 15.534 27.812 -15.329 1.00 38.31 C ATOM 659 CD2 LEU A 84 14.180 27.204 -13.387 1.00 27.49 C ATOM 0 H LEU A 84 17.944 26.882 -12.895 1.00 32.18 H new ATOM 0 HA LEU A 84 17.524 24.476 -13.915 1.00 35.53 H new ATOM 0 HB2 LEU A 84 15.515 25.339 -14.686 1.00 25.99 H new ATOM 0 HB3 LEU A 84 15.699 25.373 -13.138 1.00 25.99 H new ATOM 0 HG LEU A 84 16.201 27.715 -13.423 1.00 20.12 H new ATOM 0 HD11 LEU A 84 15.249 28.737 -15.264 1.00 38.31 H new ATOM 0 HD12 LEU A 84 16.419 27.773 -15.724 1.00 38.31 H new ATOM 0 HD13 LEU A 84 14.910 27.321 -15.886 1.00 38.31 H new ATOM 0 HD21 LEU A 84 13.850 28.115 -13.352 1.00 27.49 H new ATOM 0 HD22 LEU A 84 13.600 26.672 -13.954 1.00 27.49 H new ATOM 0 HD23 LEU A 84 14.190 26.829 -12.492 1.00 27.49 H new ATOM 660 N VAL A 85 18.912 26.370 -15.850 1.00 31.91 N ATOM 661 CA VAL A 85 19.626 26.406 -17.110 1.00 24.03 C ATOM 662 C VAL A 85 20.914 25.585 -17.048 1.00 30.02 C ATOM 663 O VAL A 85 21.892 25.873 -17.738 1.00 30.74 O ATOM 664 CB VAL A 85 19.891 27.874 -17.582 1.00 12.68 C ATOM 665 CG1 VAL A 85 18.592 28.677 -17.567 1.00 12.69 C ATOM 666 CG2 VAL A 85 21.018 28.614 -16.880 1.00 5.44 C ATOM 0 H VAL A 85 19.146 26.988 -15.300 1.00 31.91 H new ATOM 0 HA VAL A 85 19.056 25.993 -17.778 1.00 24.03 H new ATOM 0 HB VAL A 85 20.218 27.787 -18.491 1.00 12.68 H new ATOM 0 HG11 VAL A 85 18.769 29.584 -17.861 1.00 12.69 H new ATOM 0 HG12 VAL A 85 17.949 28.264 -18.164 1.00 12.69 H new ATOM 0 HG13 VAL A 85 18.232 28.694 -16.666 1.00 12.69 H new ATOM 0 HG21 VAL A 85 21.096 29.509 -17.247 1.00 5.44 H new ATOM 0 HG22 VAL A 85 20.827 28.670 -15.931 1.00 5.44 H new ATOM 0 HG23 VAL A 85 21.852 28.137 -17.014 1.00 5.44 H new ATOM 667 N ASN A 86 21.003 24.544 -16.222 1.00 34.31 N ATOM 668 CA ASN A 86 22.212 23.739 -16.167 1.00 30.48 C ATOM 669 C ASN A 86 21.821 22.435 -15.532 1.00 34.11 C ATOM 670 O ASN A 86 21.735 22.388 -14.305 1.00 42.03 O ATOM 671 CB ASN A 86 23.233 24.438 -15.302 1.00 22.45 C ATOM 672 CG ASN A 86 24.563 23.733 -15.285 1.00 30.29 C ATOM 673 OD1 ASN A 86 24.670 22.533 -15.042 1.00 36.56 O ATOM 674 ND2 ASN A 86 25.630 24.451 -15.563 1.00 29.03 N ATOM 0 H ASN A 86 20.377 24.291 -15.690 1.00 34.31 H new ATOM 0 HA ASN A 86 22.594 23.602 -17.048 1.00 30.48 H new ATOM 0 HB2 ASN A 86 23.356 25.345 -15.623 1.00 22.45 H new ATOM 0 HB3 ASN A 86 22.894 24.502 -14.396 1.00 22.45 H new ATOM 0 HD21 ASN A 86 26.406 24.081 -15.575 1.00 29.03 H new ATOM 0 HD22 ASN A 86 25.551 25.290 -15.733 1.00 29.03 H new ATOM 675 N GLN A 87 21.552 21.358 -16.277 1.00 34.88 N ATOM 676 CA GLN A 87 21.073 20.143 -15.638 1.00 36.40 C ATOM 677 C GLN A 87 22.141 19.427 -14.834 1.00 32.51 C ATOM 678 O GLN A 87 21.789 18.593 -14.010 1.00 36.32 O ATOM 679 CB GLN A 87 20.274 19.148 -16.526 1.00 50.77 C ATOM 680 CG GLN A 87 20.744 18.817 -17.945 1.00 66.39 C ATOM 681 CD GLN A 87 22.200 18.383 -18.035 1.00 76.34 C ATOM 682 OE1 GLN A 87 23.060 19.207 -18.335 1.00 85.10 O ATOM 683 NE2 GLN A 87 22.556 17.140 -17.726 1.00 83.55 N ATOM 0 H GLN A 87 21.639 21.315 -17.131 1.00 34.88 H new ATOM 0 HA GLN A 87 20.410 20.496 -15.025 1.00 36.40 H new ATOM 0 HB2 GLN A 87 20.221 18.310 -16.040 1.00 50.77 H new ATOM 0 HB3 GLN A 87 19.370 19.492 -16.598 1.00 50.77 H new ATOM 0 HG2 GLN A 87 20.184 18.111 -18.304 1.00 66.39 H new ATOM 0 HG3 GLN A 87 20.614 19.596 -18.508 1.00 66.39 H new ATOM 0 HE21 GLN A 87 21.956 16.561 -17.515 1.00 83.55 H new ATOM 0 HE22 GLN A 87 23.386 16.915 -17.737 1.00 83.55 H new ATOM 684 N GLN A 88 23.435 19.708 -15.000 1.00 30.88 N ATOM 685 CA GLN A 88 24.447 19.102 -14.149 1.00 40.06 C ATOM 686 C GLN A 88 24.283 19.627 -12.713 1.00 42.96 C ATOM 687 O GLN A 88 24.361 18.818 -11.784 1.00 41.27 O ATOM 688 CB GLN A 88 25.859 19.318 -14.713 1.00 40.31 C ATOM 689 CG GLN A 88 26.994 18.574 -13.980 1.00 52.52 C ATOM 690 CD GLN A 88 26.938 17.044 -13.962 1.00 69.15 C ATOM 691 OE1 GLN A 88 27.483 16.358 -14.823 1.00 85.79 O ATOM 692 NE2 GLN A 88 26.294 16.410 -12.990 1.00 84.82 N ATOM 0 H GLN A 88 23.742 20.245 -15.598 1.00 30.88 H new ATOM 0 HA GLN A 88 24.322 18.140 -14.129 1.00 40.06 H new ATOM 0 HB2 GLN A 88 25.863 19.044 -15.643 1.00 40.31 H new ATOM 0 HB3 GLN A 88 26.054 20.268 -14.696 1.00 40.31 H new ATOM 0 HG2 GLN A 88 27.835 18.838 -14.384 1.00 52.52 H new ATOM 0 HG3 GLN A 88 27.011 18.884 -13.061 1.00 52.52 H new ATOM 0 HE21 GLN A 88 25.901 16.859 -12.371 1.00 84.82 H new ATOM 0 HE22 GLN A 88 26.270 15.550 -12.980 1.00 84.82 H new ATOM 693 N SER A 89 23.963 20.921 -12.517 1.00 41.31 N ATOM 694 CA SER A 89 23.687 21.491 -11.204 1.00 36.82 C ATOM 695 C SER A 89 22.435 20.907 -10.586 1.00 37.96 C ATOM 696 O SER A 89 22.358 20.782 -9.363 1.00 44.79 O ATOM 697 CB SER A 89 23.636 23.029 -11.184 1.00 18.16 C ATOM 698 OG SER A 89 22.430 23.589 -11.677 1.00 18.59 O ATOM 0 H SER A 89 23.902 21.491 -13.158 1.00 41.31 H new ATOM 0 HA SER A 89 24.449 21.238 -10.660 1.00 36.82 H new ATOM 0 HB2 SER A 89 23.770 23.333 -10.273 1.00 18.16 H new ATOM 0 HB3 SER A 89 24.376 23.372 -11.709 1.00 18.16 H new ATOM 0 HG SER A 89 22.244 23.244 -12.420 1.00 18.59 H new ATOM 699 N PHE A 90 21.446 20.513 -11.381 1.00 38.94 N ATOM 700 CA PHE A 90 20.343 19.754 -10.830 1.00 38.82 C ATOM 701 C PHE A 90 20.834 18.401 -10.335 1.00 41.83 C ATOM 702 O PHE A 90 20.356 17.910 -9.308 1.00 42.58 O ATOM 703 CB PHE A 90 19.251 19.577 -11.855 1.00 29.55 C ATOM 704 CG PHE A 90 18.048 18.845 -11.301 1.00 28.95 C ATOM 705 CD1 PHE A 90 17.302 19.413 -10.296 1.00 30.77 C ATOM 706 CD2 PHE A 90 17.694 17.627 -11.823 1.00 32.16 C ATOM 707 CE1 PHE A 90 16.177 18.785 -9.831 1.00 27.14 C ATOM 708 CE2 PHE A 90 16.569 17.001 -11.348 1.00 41.66 C ATOM 709 CZ PHE A 90 15.808 17.579 -10.361 1.00 36.59 C ATOM 0 H PHE A 90 21.398 20.673 -12.225 1.00 38.94 H new ATOM 0 HA PHE A 90 19.975 20.246 -10.079 1.00 38.82 H new ATOM 0 HB2 PHE A 90 18.974 20.447 -12.181 1.00 29.55 H new ATOM 0 HB3 PHE A 90 19.602 19.087 -12.615 1.00 29.55 H new ATOM 0 HD1 PHE A 90 17.562 20.227 -9.930 1.00 30.77 H new ATOM 0 HD2 PHE A 90 18.209 17.231 -12.489 1.00 32.16 H new ATOM 0 HE1 PHE A 90 15.667 19.176 -9.159 1.00 27.14 H new ATOM 0 HE2 PHE A 90 16.319 16.176 -11.698 1.00 41.66 H new ATOM 0 HZ PHE A 90 15.042 17.150 -10.053 1.00 36.59 H new ATOM 710 N GLN A 91 21.800 17.785 -11.030 1.00 42.41 N ATOM 711 CA GLN A 91 22.281 16.452 -10.677 1.00 44.57 C ATOM 712 C GLN A 91 23.197 16.423 -9.451 1.00 47.33 C ATOM 713 O GLN A 91 23.226 15.486 -8.637 1.00 50.45 O ATOM 714 CB GLN A 91 22.958 15.773 -11.874 1.00 44.11 C ATOM 715 CG GLN A 91 22.068 15.479 -13.095 1.00 65.02 C ATOM 716 CD GLN A 91 20.767 14.710 -12.848 1.00 81.98 C ATOM 717 OE1 GLN A 91 19.666 15.172 -13.152 1.00 90.44 O ATOM 718 NE2 GLN A 91 20.832 13.502 -12.300 1.00 88.35 N ATOM 0 H GLN A 91 22.190 18.130 -11.715 1.00 42.41 H new ATOM 0 HA GLN A 91 21.489 15.949 -10.430 1.00 44.57 H new ATOM 0 HB2 GLN A 91 23.694 16.334 -12.164 1.00 44.11 H new ATOM 0 HB3 GLN A 91 23.342 14.936 -11.570 1.00 44.11 H new ATOM 0 HG2 GLN A 91 21.842 16.325 -13.512 1.00 65.02 H new ATOM 0 HG3 GLN A 91 22.595 14.978 -13.737 1.00 65.02 H new ATOM 0 HE21 GLN A 91 21.595 13.169 -12.083 1.00 88.35 H new ATOM 0 HE22 GLN A 91 20.112 13.053 -12.162 1.00 88.35 H new ATOM 719 N ASP A 92 23.941 17.513 -9.316 1.00 41.57 N ATOM 720 CA ASP A 92 24.799 17.733 -8.182 1.00 40.86 C ATOM 721 C ASP A 92 24.038 17.950 -6.871 1.00 45.24 C ATOM 722 O ASP A 92 24.610 17.767 -5.800 1.00 50.40 O ATOM 723 CB ASP A 92 25.702 18.917 -8.514 1.00 34.96 C ATOM 724 CG ASP A 92 26.789 18.747 -9.595 1.00 41.69 C ATOM 725 OD1 ASP A 92 27.183 17.626 -9.949 1.00 46.49 O ATOM 726 OD2 ASP A 92 27.279 19.776 -10.069 1.00 47.14 O ATOM 0 H ASP A 92 23.956 18.150 -9.893 1.00 41.57 H new ATOM 0 HA ASP A 92 25.324 16.932 -8.025 1.00 40.86 H new ATOM 0 HB2 ASP A 92 25.132 19.653 -8.785 1.00 34.96 H new ATOM 0 HB3 ASP A 92 26.144 19.187 -7.694 1.00 34.96 H new ATOM 727 N ILE A 93 22.749 18.314 -6.898 1.00 49.84 N ATOM 728 CA ILE A 93 21.940 18.594 -5.713 1.00 52.97 C ATOM 729 C ILE A 93 21.336 17.344 -5.073 1.00 57.65 C ATOM 730 O ILE A 93 21.091 17.321 -3.864 1.00 60.14 O ATOM 731 CB ILE A 93 20.873 19.708 -6.052 1.00 51.63 C ATOM 732 CG1 ILE A 93 20.771 20.702 -4.917 1.00 47.18 C ATOM 733 CG2 ILE A 93 19.480 19.223 -6.448 1.00 29.70 C ATOM 734 CD1 ILE A 93 22.102 21.417 -4.668 1.00 35.20 C ATOM 0 H ILE A 93 22.312 18.406 -7.633 1.00 49.84 H new ATOM 0 HA ILE A 93 22.528 18.939 -5.023 1.00 52.97 H new ATOM 0 HB ILE A 93 21.219 20.125 -6.857 1.00 51.63 H new ATOM 0 HG12 ILE A 93 20.085 21.357 -5.121 1.00 47.18 H new ATOM 0 HG13 ILE A 93 20.494 20.243 -4.109 1.00 47.18 H new ATOM 0 HG21 ILE A 93 18.912 19.987 -6.633 1.00 29.70 H new ATOM 0 HG22 ILE A 93 19.544 18.669 -7.241 1.00 29.70 H new ATOM 0 HG23 ILE A 93 19.099 18.705 -5.722 1.00 29.70 H new ATOM 0 HD11 ILE A 93 22.000 22.045 -3.936 1.00 35.20 H new ATOM 0 HD12 ILE A 93 22.783 20.764 -4.441 1.00 35.20 H new ATOM 0 HD13 ILE A 93 22.367 21.895 -5.469 1.00 35.20 H new ATOM 735 N LYS A 94 21.140 16.264 -5.840 1.00 61.92 N ATOM 736 CA LYS A 94 20.505 15.037 -5.360 1.00 64.54 C ATOM 737 C LYS A 94 21.258 14.300 -4.240 1.00 65.31 C ATOM 738 O LYS A 94 20.623 13.973 -3.228 1.00 66.05 O ATOM 739 CB LYS A 94 20.190 14.094 -6.528 1.00 67.68 C ATOM 740 CG LYS A 94 19.302 14.704 -7.600 1.00 73.87 C ATOM 741 CD LYS A 94 19.111 13.722 -8.740 1.00 90.87 C ATOM 742 CE LYS A 94 18.197 14.316 -9.795 1.00 87.29 C ATOM 743 NZ LYS A 94 17.948 13.357 -10.853 1.00 87.57 N ATOM 0 H LYS A 94 21.377 16.227 -6.666 1.00 61.92 H new ATOM 0 HA LYS A 94 19.679 15.330 -4.945 1.00 64.54 H new ATOM 0 HB2 LYS A 94 21.023 13.811 -6.935 1.00 67.68 H new ATOM 0 HB3 LYS A 94 19.759 13.298 -6.180 1.00 67.68 H new ATOM 0 HG2 LYS A 94 18.441 14.941 -7.221 1.00 73.87 H new ATOM 0 HG3 LYS A 94 19.701 15.523 -7.933 1.00 73.87 H new ATOM 0 HD2 LYS A 94 19.970 13.502 -9.133 1.00 90.87 H new ATOM 0 HD3 LYS A 94 18.733 12.895 -8.403 1.00 90.87 H new ATOM 0 HE2 LYS A 94 17.357 14.583 -9.389 1.00 87.29 H new ATOM 0 HE3 LYS A 94 18.600 15.117 -10.166 1.00 87.29 H new ATOM 0 HZ1 LYS A 94 18.012 13.763 -11.643 1.00 87.57 H new ATOM 0 HZ2 LYS A 94 18.548 12.701 -10.807 1.00 87.57 H new ATOM 0 HZ3 LYS A 94 17.131 13.017 -10.760 1.00 87.57 H new ATOM 744 N PRO A 95 22.577 14.010 -4.287 1.00 63.97 N ATOM 745 CA PRO A 95 23.317 13.470 -3.153 1.00 63.92 C ATOM 746 C PRO A 95 23.313 14.394 -1.943 1.00 64.53 C ATOM 747 O PRO A 95 23.397 13.916 -0.812 1.00 69.49 O ATOM 748 CB PRO A 95 24.729 13.288 -3.683 1.00 60.09 C ATOM 749 CG PRO A 95 24.839 14.242 -4.841 1.00 68.29 C ATOM 750 CD PRO A 95 23.454 14.089 -5.458 1.00 60.14 C ATOM 0 HA PRO A 95 22.915 12.647 -2.834 1.00 63.92 H new ATOM 0 HB2 PRO A 95 25.388 13.488 -3.000 1.00 60.09 H new ATOM 0 HB3 PRO A 95 24.882 12.373 -3.966 1.00 60.09 H new ATOM 0 HG2 PRO A 95 25.017 15.151 -4.554 1.00 68.29 H new ATOM 0 HG3 PRO A 95 25.547 13.995 -5.457 1.00 68.29 H new ATOM 0 HD2 PRO A 95 23.228 14.843 -6.025 1.00 60.14 H new ATOM 0 HD3 PRO A 95 23.392 13.292 -6.007 1.00 60.14 H new ATOM 751 N MET A 96 23.192 15.713 -2.110 1.00 60.72 N ATOM 752 CA MET A 96 23.357 16.624 -0.997 1.00 53.70 C ATOM 753 C MET A 96 22.291 16.536 0.057 1.00 52.08 C ATOM 754 O MET A 96 22.652 16.725 1.218 1.00 50.35 O ATOM 755 CB MET A 96 23.498 18.056 -1.405 1.00 40.83 C ATOM 756 CG MET A 96 24.888 18.283 -1.867 1.00 32.90 C ATOM 757 SD MET A 96 25.077 20.064 -1.955 1.00 46.04 S ATOM 758 CE MET A 96 26.227 20.306 -3.277 1.00 20.09 C ATOM 0 H MET A 96 23.015 16.092 -2.861 1.00 60.72 H new ATOM 0 HA MET A 96 24.191 16.316 -0.609 1.00 53.70 H new ATOM 0 HB2 MET A 96 22.869 18.268 -2.113 1.00 40.83 H new ATOM 0 HB3 MET A 96 23.292 18.640 -0.659 1.00 40.83 H new ATOM 0 HG2 MET A 96 25.529 17.894 -1.252 1.00 32.90 H new ATOM 0 HG3 MET A 96 25.040 17.872 -2.732 1.00 32.90 H new ATOM 0 HE1 MET A 96 26.389 21.255 -3.395 1.00 20.09 H new ATOM 0 HE2 MET A 96 27.062 19.860 -3.066 1.00 20.09 H new ATOM 0 HE3 MET A 96 25.861 19.936 -4.096 1.00 20.09 H new ATOM 759 N ARG A 97 21.030 16.223 -0.263 1.00 51.33 N ATOM 760 CA ARG A 97 20.025 16.061 0.782 1.00 57.08 C ATOM 761 C ARG A 97 20.342 14.888 1.701 1.00 57.70 C ATOM 762 O ARG A 97 20.280 14.972 2.925 1.00 60.99 O ATOM 763 CB ARG A 97 18.671 15.835 0.183 1.00 57.77 C ATOM 764 CG ARG A 97 17.546 15.861 1.198 1.00 65.81 C ATOM 765 CD ARG A 97 16.909 14.490 1.273 1.00 69.99 C ATOM 766 NE ARG A 97 15.628 14.603 1.942 1.00 77.92 N ATOM 767 CZ ARG A 97 14.938 13.540 2.353 1.00 73.09 C ATOM 768 NH1 ARG A 97 15.360 12.292 2.143 1.00 74.37 N ATOM 769 NH2 ARG A 97 13.813 13.752 3.027 1.00 72.92 N ATOM 0 H ARG A 97 20.744 16.103 -1.065 1.00 51.33 H new ATOM 0 HA ARG A 97 20.032 16.880 1.301 1.00 57.08 H new ATOM 0 HB2 ARG A 97 18.506 16.514 -0.489 1.00 57.77 H new ATOM 0 HB3 ARG A 97 18.666 14.978 -0.272 1.00 57.77 H new ATOM 0 HG2 ARG A 97 17.888 16.119 2.069 1.00 65.81 H new ATOM 0 HG3 ARG A 97 16.884 16.523 0.946 1.00 65.81 H new ATOM 0 HD2 ARG A 97 16.791 14.126 0.382 1.00 69.99 H new ATOM 0 HD3 ARG A 97 17.486 13.878 1.755 1.00 69.99 H new ATOM 0 HE ARG A 97 15.301 15.386 2.079 1.00 77.92 H new ATOM 0 HH11 ARG A 97 16.101 12.153 1.730 1.00 74.37 H new ATOM 0 HH12 ARG A 97 14.891 11.627 2.421 1.00 74.37 H new ATOM 0 HH21 ARG A 97 13.551 14.556 3.185 1.00 72.92 H new ATOM 0 HH22 ARG A 97 13.346 13.085 3.305 1.00 72.92 H new ATOM 770 N ASP A 98 20.720 13.778 1.093 1.00 56.58 N ATOM 771 CA ASP A 98 21.074 12.586 1.818 1.00 54.34 C ATOM 772 C ASP A 98 22.395 12.770 2.556 1.00 53.82 C ATOM 773 O ASP A 98 22.570 12.213 3.637 1.00 55.66 O ATOM 774 CB ASP A 98 21.083 11.413 0.841 1.00 59.71 C ATOM 775 CG ASP A 98 19.771 11.274 0.054 1.00 77.10 C ATOM 776 OD1 ASP A 98 18.683 11.447 0.621 1.00 86.87 O ATOM 777 OD2 ASP A 98 19.845 11.004 -1.147 1.00 93.88 O ATOM 0 H ASP A 98 20.777 13.699 0.239 1.00 56.58 H new ATOM 0 HA ASP A 98 20.419 12.397 2.508 1.00 54.34 H new ATOM 0 HB2 ASP A 98 21.818 11.524 0.217 1.00 59.71 H new ATOM 0 HB3 ASP A 98 21.248 10.592 1.331 1.00 59.71 H new ATOM 778 N GLN A 99 23.347 13.563 2.061 1.00 53.32 N ATOM 779 CA GLN A 99 24.508 13.966 2.854 1.00 53.33 C ATOM 780 C GLN A 99 24.069 14.794 4.068 1.00 55.72 C ATOM 781 O GLN A 99 24.599 14.575 5.160 1.00 57.55 O ATOM 782 CB GLN A 99 25.495 14.737 1.978 1.00 51.22 C ATOM 783 CG GLN A 99 26.768 15.249 2.637 1.00 57.64 C ATOM 784 CD GLN A 99 27.595 16.187 1.765 1.00 71.32 C ATOM 785 OE1 GLN A 99 27.061 16.840 0.736 1.00 69.21 O flip ATOM 786 NE2 GLN A 99 28.776 16.389 2.010 1.00 91.74 N flip ATOM 0 H GLN A 99 23.338 13.880 1.262 1.00 53.32 H new ATOM 0 HA GLN A 99 24.956 13.173 3.188 1.00 53.33 H new ATOM 0 HB2 GLN A 99 25.751 14.163 1.239 1.00 51.22 H new ATOM 0 HB3 GLN A 99 25.028 15.498 1.598 1.00 51.22 H new ATOM 0 HG2 GLN A 99 26.532 15.711 3.456 1.00 57.64 H new ATOM 0 HG3 GLN A 99 27.317 14.490 2.888 1.00 57.64 H new ATOM 0 HE21 GLN A 99 29.154 15.984 2.668 1.00 91.74 H new ATOM 0 HE22 GLN A 99 29.228 16.936 1.525 1.00 91.74 H new ATOM 787 N ILE A 100 23.091 15.711 3.935 1.00 54.13 N ATOM 788 CA ILE A 100 22.534 16.458 5.057 1.00 52.08 C ATOM 789 C ILE A 100 22.004 15.510 6.115 1.00 52.82 C ATOM 790 O ILE A 100 22.370 15.636 7.280 1.00 53.68 O ATOM 791 CB ILE A 100 21.457 17.455 4.594 1.00 44.71 C ATOM 792 CG1 ILE A 100 22.130 18.599 3.882 1.00 31.00 C ATOM 793 CG2 ILE A 100 20.572 17.982 5.717 1.00 46.85 C ATOM 794 CD1 ILE A 100 21.089 19.512 3.232 1.00 29.12 C ATOM 0 H ILE A 100 22.736 15.911 3.178 1.00 54.13 H new ATOM 0 HA ILE A 100 23.247 16.981 5.455 1.00 52.08 H new ATOM 0 HB ILE A 100 20.861 16.973 3.999 1.00 44.71 H new ATOM 0 HG12 ILE A 100 22.667 19.107 4.510 1.00 31.00 H new ATOM 0 HG13 ILE A 100 22.734 18.255 3.206 1.00 31.00 H new ATOM 0 HG21 ILE A 100 19.921 18.601 5.352 1.00 46.85 H new ATOM 0 HG22 ILE A 100 20.111 17.241 6.141 1.00 46.85 H new ATOM 0 HG23 ILE A 100 21.120 18.439 6.374 1.00 46.85 H new ATOM 0 HD11 ILE A 100 21.537 20.243 2.778 1.00 29.12 H new ATOM 0 HD12 ILE A 100 20.569 19.004 2.590 1.00 29.12 H new ATOM 0 HD13 ILE A 100 20.500 19.869 3.915 1.00 29.12 H new ATOM 795 N ILE A 101 21.201 14.521 5.727 1.00 55.28 N ATOM 796 CA ILE A 101 20.669 13.525 6.656 1.00 55.61 C ATOM 797 C ILE A 101 21.706 12.562 7.273 1.00 57.82 C ATOM 798 O ILE A 101 21.488 12.128 8.404 1.00 64.58 O ATOM 799 CB ILE A 101 19.420 12.821 6.018 1.00 48.68 C ATOM 800 CG1 ILE A 101 18.364 13.892 5.739 1.00 42.87 C ATOM 801 CG2 ILE A 101 18.818 11.708 6.888 1.00 57.64 C ATOM 802 CD1 ILE A 101 17.022 13.416 5.166 1.00 42.46 C ATOM 0 H ILE A 101 20.948 14.408 4.913 1.00 55.28 H new ATOM 0 HA ILE A 101 20.374 14.006 7.445 1.00 55.61 H new ATOM 0 HB ILE A 101 19.715 12.384 5.204 1.00 48.68 H new ATOM 0 HG12 ILE A 101 18.187 14.364 6.568 1.00 42.87 H new ATOM 0 HG13 ILE A 101 18.744 14.536 5.121 1.00 42.87 H new ATOM 0 HG21 ILE A 101 18.054 11.319 6.434 1.00 57.64 H new ATOM 0 HG22 ILE A 101 19.485 11.021 7.043 1.00 57.64 H new ATOM 0 HG23 ILE A 101 18.534 12.079 7.738 1.00 57.64 H new ATOM 0 HD11 ILE A 101 16.438 14.179 5.032 1.00 42.46 H new ATOM 0 HD12 ILE A 101 17.172 12.971 4.317 1.00 42.46 H new ATOM 0 HD13 ILE A 101 16.607 12.797 5.786 1.00 42.46 H new ATOM 803 N ARG A 102 22.853 12.200 6.684 1.00 55.49 N ATOM 804 CA ARG A 102 23.825 11.366 7.389 1.00 61.04 C ATOM 805 C ARG A 102 24.410 12.124 8.583 1.00 62.54 C ATOM 806 O ARG A 102 24.735 11.530 9.612 1.00 69.40 O ATOM 807 CB ARG A 102 24.960 10.839 6.470 1.00 66.43 C ATOM 808 CG ARG A 102 26.111 11.818 6.157 1.00 76.75 C ATOM 809 CD ARG A 102 27.128 11.376 5.113 1.00 82.78 C ATOM 810 NE ARG A 102 27.926 10.227 5.515 1.00 85.68 N ATOM 811 CZ ARG A 102 28.392 9.342 4.617 1.00 93.08 C ATOM 812 NH1 ARG A 102 28.101 9.433 3.311 1.00 96.15 N ATOM 813 NH2 ARG A 102 29.180 8.348 5.030 1.00 95.58 N ATOM 0 H ARG A 102 23.082 12.426 5.886 1.00 55.49 H new ATOM 0 HA ARG A 102 23.343 10.586 7.705 1.00 61.04 H new ATOM 0 HB2 ARG A 102 25.340 10.047 6.882 1.00 66.43 H new ATOM 0 HB3 ARG A 102 24.564 10.559 5.630 1.00 66.43 H new ATOM 0 HG2 ARG A 102 25.722 12.657 5.863 1.00 76.75 H new ATOM 0 HG3 ARG A 102 26.586 11.999 6.983 1.00 76.75 H new ATOM 0 HD2 ARG A 102 26.661 11.162 4.290 1.00 82.78 H new ATOM 0 HD3 ARG A 102 27.721 12.118 4.918 1.00 82.78 H new ATOM 0 HE ARG A 102 28.104 10.111 6.348 1.00 85.68 H new ATOM 0 HH11 ARG A 102 27.602 10.072 3.025 1.00 96.15 H new ATOM 0 HH12 ARG A 102 28.414 8.852 2.759 1.00 96.15 H new ATOM 0 HH21 ARG A 102 29.384 8.279 5.862 1.00 95.58 H new ATOM 0 HH22 ARG A 102 29.484 7.776 4.464 1.00 95.58 H new ATOM 814 N VAL A 103 24.545 13.444 8.460 1.00 55.50 N ATOM 815 CA VAL A 103 25.189 14.239 9.480 1.00 55.37 C ATOM 816 C VAL A 103 24.194 14.584 10.571 1.00 60.07 C ATOM 817 O VAL A 103 24.520 14.552 11.756 1.00 64.63 O ATOM 818 CB VAL A 103 25.784 15.487 8.832 1.00 49.50 C ATOM 819 CG1 VAL A 103 26.431 16.414 9.842 1.00 61.46 C ATOM 820 CG2 VAL A 103 26.828 15.095 7.803 1.00 52.41 C ATOM 0 H VAL A 103 24.264 13.894 7.783 1.00 55.50 H new ATOM 0 HA VAL A 103 25.909 13.739 9.895 1.00 55.37 H new ATOM 0 HB VAL A 103 25.047 15.959 8.413 1.00 49.50 H new ATOM 0 HG11 VAL A 103 26.793 17.189 9.385 1.00 61.46 H new ATOM 0 HG12 VAL A 103 25.768 16.701 10.489 1.00 61.46 H new ATOM 0 HG13 VAL A 103 27.147 15.946 10.299 1.00 61.46 H new ATOM 0 HG21 VAL A 103 27.199 15.894 7.398 1.00 52.41 H new ATOM 0 HG22 VAL A 103 27.537 14.593 8.236 1.00 52.41 H new ATOM 0 HG23 VAL A 103 26.416 14.547 7.117 1.00 52.41 H new ATOM 821 N LYS A 104 22.973 14.932 10.166 1.00 62.57 N ATOM 822 CA LYS A 104 21.915 15.272 11.102 1.00 61.55 C ATOM 823 C LYS A 104 21.252 14.073 11.766 1.00 63.03 C ATOM 824 O LYS A 104 20.574 14.219 12.784 1.00 64.42 O ATOM 825 CB LYS A 104 20.837 16.146 10.439 1.00 52.22 C ATOM 826 CG LYS A 104 21.272 17.523 9.939 1.00 47.57 C ATOM 827 CD LYS A 104 22.099 18.289 10.953 1.00 42.58 C ATOM 828 CE LYS A 104 21.510 19.658 11.168 1.00 35.25 C ATOM 829 NZ LYS A 104 22.323 20.333 12.154 1.00 33.99 N ATOM 0 H LYS A 104 22.739 14.976 9.340 1.00 62.57 H new ATOM 0 HA LYS A 104 22.363 15.770 11.804 1.00 61.55 H new ATOM 0 HB2 LYS A 104 20.470 15.654 9.688 1.00 52.22 H new ATOM 0 HB3 LYS A 104 20.116 16.270 11.076 1.00 52.22 H new ATOM 0 HG2 LYS A 104 21.786 17.417 9.123 1.00 47.57 H new ATOM 0 HG3 LYS A 104 20.485 18.043 9.713 1.00 47.57 H new ATOM 0 HD2 LYS A 104 22.125 17.804 11.793 1.00 42.58 H new ATOM 0 HD3 LYS A 104 23.014 18.368 10.642 1.00 42.58 H new ATOM 0 HE2 LYS A 104 21.497 20.158 10.337 1.00 35.25 H new ATOM 0 HE3 LYS A 104 20.591 19.590 11.472 1.00 35.25 H new ATOM 0 HZ1 LYS A 104 22.271 21.213 12.030 1.00 33.99 H new ATOM 0 HZ2 LYS A 104 22.029 20.131 12.970 1.00 33.99 H new ATOM 0 HZ3 LYS A 104 23.170 20.071 12.071 1.00 33.99 H new ATOM 830 N ARG A 105 21.368 12.894 11.153 1.00 66.78 N ATOM 831 CA ARG A 105 20.873 11.612 11.660 1.00 72.75 C ATOM 832 C ARG A 105 19.348 11.442 11.786 1.00 73.48 C ATOM 833 O ARG A 105 18.836 10.386 12.174 1.00 74.79 O ATOM 834 CB ARG A 105 21.650 11.177 12.937 1.00 78.13 C ATOM 835 CG ARG A 105 23.162 11.060 12.722 1.00 86.83 C ATOM 836 CD ARG A 105 23.931 10.666 13.978 1.00 99.75 C ATOM 837 NE ARG A 105 25.368 10.755 13.748 1.00 99.36 N ATOM 838 CZ ARG A 105 26.087 9.788 13.157 1.00 99.19 C ATOM 839 NH1 ARG A 105 25.572 8.614 12.776 1.00 99.15 N ATOM 840 NH2 ARG A 105 27.378 10.007 12.954 1.00 99.99 N ATOM 0 H ARG A 105 21.758 12.816 10.390 1.00 66.78 H new ATOM 0 HA ARG A 105 21.070 10.987 10.945 1.00 72.75 H new ATOM 0 HB2 ARG A 105 21.480 11.818 13.645 1.00 78.13 H new ATOM 0 HB3 ARG A 105 21.307 10.322 13.240 1.00 78.13 H new ATOM 0 HG2 ARG A 105 23.332 10.403 12.029 1.00 86.83 H new ATOM 0 HG3 ARG A 105 23.501 11.909 12.398 1.00 86.83 H new ATOM 0 HD2 ARG A 105 23.679 11.247 14.713 1.00 99.75 H new ATOM 0 HD3 ARG A 105 23.695 9.762 14.237 1.00 99.75 H new ATOM 0 HE ARG A 105 25.777 11.466 14.005 1.00 99.36 H new ATOM 0 HH11 ARG A 105 24.738 8.448 12.906 1.00 99.15 H new ATOM 0 HH12 ARG A 105 26.074 8.026 12.401 1.00 99.15 H new ATOM 0 HH21 ARG A 105 27.732 10.752 13.199 1.00 99.99 H new ATOM 0 HH22 ARG A 105 27.862 9.404 12.577 1.00 99.99 H new ATOM 841 N TYR A 106 18.552 12.438 11.412 1.00 75.42 N ATOM 842 CA TYR A 106 17.110 12.288 11.384 1.00 77.70 C ATOM 843 C TYR A 106 16.617 12.724 10.014 1.00 79.12 C ATOM 844 O TYR A 106 17.306 13.452 9.298 1.00 80.15 O ATOM 845 CB TYR A 106 16.382 13.009 12.560 1.00 78.90 C ATOM 846 CG TYR A 106 16.430 14.539 12.688 1.00 69.46 C ATOM 847 CD1 TYR A 106 17.616 15.193 12.989 1.00 67.88 C ATOM 848 CD2 TYR A 106 15.272 15.285 12.512 1.00 75.90 C ATOM 849 CE1 TYR A 106 17.666 16.577 13.059 1.00 68.03 C ATOM 850 CE2 TYR A 106 15.313 16.672 12.592 1.00 82.86 C ATOM 851 CZ TYR A 106 16.518 17.317 12.834 1.00 80.35 C ATOM 852 OH TYR A 106 16.593 18.704 12.826 1.00 91.31 O ATOM 0 H TYR A 106 18.834 13.213 11.169 1.00 75.42 H new ATOM 0 HA TYR A 106 16.887 11.354 11.524 1.00 77.70 H new ATOM 0 HB2 TYR A 106 15.447 12.755 12.516 1.00 78.90 H new ATOM 0 HB3 TYR A 106 16.737 12.642 13.384 1.00 78.90 H new ATOM 0 HD1 TYR A 106 18.387 14.697 13.146 1.00 67.88 H new ATOM 0 HD2 TYR A 106 14.466 14.855 12.340 1.00 75.90 H new ATOM 0 HE1 TYR A 106 18.467 17.006 13.256 1.00 68.03 H new ATOM 0 HE2 TYR A 106 14.534 17.168 12.483 1.00 82.86 H new ATOM 0 HH TYR A 106 15.831 19.025 12.678 1.00 91.31 H new ATOM 853 N GLU A 107 15.410 12.284 9.655 1.00 79.14 N ATOM 854 CA GLU A 107 14.858 12.461 8.318 1.00 76.30 C ATOM 855 C GLU A 107 14.350 13.875 8.057 1.00 71.59 C ATOM 856 O GLU A 107 14.609 14.449 7.005 1.00 70.32 O ATOM 857 CB GLU A 107 13.728 11.464 8.047 1.00 79.69 C ATOM 858 CG GLU A 107 14.036 9.977 8.240 1.00 99.53 C ATOM 859 CD GLU A 107 14.139 9.538 9.706 1.00 99.11 C ATOM 860 OE1 GLU A 107 13.103 9.407 10.370 1.00 99.90 O ATOM 861 OE2 GLU A 107 15.262 9.354 10.188 1.00 99.30 O ATOM 0 H GLU A 107 14.883 11.868 10.193 1.00 79.14 H new ATOM 0 HA GLU A 107 15.596 12.296 7.711 1.00 76.30 H new ATOM 0 HB2 GLU A 107 12.982 11.693 8.624 1.00 79.69 H new ATOM 0 HB3 GLU A 107 13.429 11.592 7.133 1.00 79.69 H new ATOM 0 HG2 GLU A 107 13.344 9.455 7.805 1.00 99.53 H new ATOM 0 HG3 GLU A 107 14.871 9.770 7.792 1.00 99.53 H new ATOM 862 N LYS A 108 13.629 14.474 9.001 1.00 68.78 N ATOM 863 CA LYS A 108 13.007 15.762 8.765 1.00 63.87 C ATOM 864 C LYS A 108 13.936 16.937 8.998 1.00 56.35 C ATOM 865 O LYS A 108 13.819 17.633 10.000 1.00 59.31 O ATOM 866 CB LYS A 108 11.772 15.928 9.624 1.00 71.54 C ATOM 867 CG LYS A 108 10.480 15.529 8.953 1.00 85.96 C ATOM 868 CD LYS A 108 9.406 16.141 9.834 1.00 99.38 C ATOM 869 CE LYS A 108 8.005 15.915 9.287 1.00 99.99 C ATOM 870 NZ LYS A 108 7.020 16.603 10.107 1.00 99.80 N ATOM 0 H LYS A 108 13.491 14.147 9.784 1.00 68.78 H new ATOM 0 HA LYS A 108 12.767 15.766 7.825 1.00 63.87 H new ATOM 0 HB2 LYS A 108 11.880 15.400 10.430 1.00 71.54 H new ATOM 0 HB3 LYS A 108 11.706 16.856 9.899 1.00 71.54 H new ATOM 0 HG2 LYS A 108 10.431 15.868 8.046 1.00 85.96 H new ATOM 0 HG3 LYS A 108 10.390 14.565 8.901 1.00 85.96 H new ATOM 0 HD2 LYS A 108 9.467 15.761 10.725 1.00 99.38 H new ATOM 0 HD3 LYS A 108 9.567 17.094 9.920 1.00 99.38 H new ATOM 0 HE2 LYS A 108 7.953 16.235 8.373 1.00 99.99 H new ATOM 0 HE3 LYS A 108 7.810 14.965 9.266 1.00 99.99 H new ATOM 0 HZ1 LYS A 108 6.206 16.462 9.775 1.00 99.80 H new ATOM 0 HZ2 LYS A 108 7.058 16.293 10.940 1.00 99.80 H new ATOM 0 HZ3 LYS A 108 7.192 17.476 10.108 1.00 99.80 H new ATOM 871 N VAL A 109 14.909 17.185 8.134 1.00 50.75 N ATOM 872 CA VAL A 109 15.674 18.417 8.264 1.00 48.75 C ATOM 873 C VAL A 109 14.879 19.444 7.474 1.00 47.42 C ATOM 874 O VAL A 109 14.332 19.076 6.428 1.00 47.74 O ATOM 875 CB VAL A 109 17.112 18.292 7.728 1.00 46.81 C ATOM 876 CG1 VAL A 109 17.929 19.487 8.175 1.00 53.39 C ATOM 877 CG2 VAL A 109 17.800 17.041 8.234 1.00 49.93 C ATOM 0 H VAL A 109 15.139 16.671 7.484 1.00 50.75 H new ATOM 0 HA VAL A 109 15.785 18.662 9.196 1.00 48.75 H new ATOM 0 HB VAL A 109 17.053 18.248 6.761 1.00 46.81 H new ATOM 0 HG11 VAL A 109 18.834 19.405 7.836 1.00 53.39 H new ATOM 0 HG12 VAL A 109 17.528 20.300 7.832 1.00 53.39 H new ATOM 0 HG13 VAL A 109 17.949 19.521 9.144 1.00 53.39 H new ATOM 0 HG21 VAL A 109 18.700 16.999 7.875 1.00 49.93 H new ATOM 0 HG22 VAL A 109 17.839 17.062 9.203 1.00 49.93 H new ATOM 0 HG23 VAL A 109 17.302 16.259 7.948 1.00 49.93 H new ATOM 878 N PRO A 110 14.723 20.702 7.893 1.00 49.83 N ATOM 879 CA PRO A 110 14.097 21.736 7.075 1.00 49.87 C ATOM 880 C PRO A 110 14.959 22.050 5.854 1.00 41.97 C ATOM 881 O PRO A 110 16.028 22.648 5.972 1.00 34.70 O ATOM 882 CB PRO A 110 14.008 22.903 8.033 1.00 53.90 C ATOM 883 CG PRO A 110 13.818 22.218 9.351 1.00 51.32 C ATOM 884 CD PRO A 110 14.905 21.166 9.259 1.00 51.67 C ATOM 0 HA PRO A 110 13.233 21.488 6.710 1.00 49.87 H new ATOM 0 HB2 PRO A 110 14.812 23.445 8.019 1.00 53.90 H new ATOM 0 HB3 PRO A 110 13.266 23.491 7.820 1.00 53.90 H new ATOM 0 HG2 PRO A 110 13.945 22.818 10.103 1.00 51.32 H new ATOM 0 HG3 PRO A 110 12.934 21.831 9.444 1.00 51.32 H new ATOM 0 HD2 PRO A 110 15.789 21.537 9.406 1.00 51.67 H new ATOM 0 HD3 PRO A 110 14.784 20.455 9.908 1.00 51.67 H new ATOM 885 N VAL A 111 14.535 21.574 4.683 1.00 41.06 N ATOM 886 CA VAL A 111 15.168 21.874 3.408 1.00 40.45 C ATOM 887 C VAL A 111 14.121 22.452 2.451 1.00 37.56 C ATOM 888 O VAL A 111 12.923 22.195 2.610 1.00 30.73 O ATOM 889 CB VAL A 111 15.894 20.644 2.785 1.00 43.91 C ATOM 890 CG1 VAL A 111 17.089 20.202 3.609 1.00 42.66 C ATOM 891 CG2 VAL A 111 14.987 19.440 2.660 1.00 52.49 C ATOM 0 H VAL A 111 13.853 21.055 4.611 1.00 41.06 H new ATOM 0 HA VAL A 111 15.863 22.532 3.566 1.00 40.45 H new ATOM 0 HB VAL A 111 16.177 20.948 1.908 1.00 43.91 H new ATOM 0 HG11 VAL A 111 17.509 19.437 3.186 1.00 42.66 H new ATOM 0 HG12 VAL A 111 17.728 20.929 3.668 1.00 42.66 H new ATOM 0 HG13 VAL A 111 16.795 19.957 4.500 1.00 42.66 H new ATOM 0 HG21 VAL A 111 15.480 18.702 2.269 1.00 52.49 H new ATOM 0 HG22 VAL A 111 14.666 19.184 3.539 1.00 52.49 H new ATOM 0 HG23 VAL A 111 14.232 19.661 2.092 1.00 52.49 H new ATOM 892 N ILE A 112 14.553 23.293 1.502 1.00 38.14 N ATOM 893 CA ILE A 112 13.767 23.748 0.349 1.00 34.82 C ATOM 894 C ILE A 112 14.590 23.502 -0.916 1.00 32.55 C ATOM 895 O ILE A 112 15.772 23.842 -0.932 1.00 29.15 O ATOM 896 CB ILE A 112 13.395 25.252 0.432 1.00 32.84 C ATOM 897 CG1 ILE A 112 12.437 25.513 1.566 1.00 30.77 C ATOM 898 CG2 ILE A 112 12.698 25.720 -0.839 1.00 42.78 C ATOM 899 CD1 ILE A 112 12.012 26.973 1.644 1.00 31.58 C ATOM 0 H ILE A 112 15.345 23.627 1.515 1.00 38.14 H new ATOM 0 HA ILE A 112 12.934 23.250 0.337 1.00 34.82 H new ATOM 0 HB ILE A 112 14.229 25.730 0.564 1.00 32.84 H new ATOM 0 HG12 ILE A 112 11.651 24.956 1.456 1.00 30.77 H new ATOM 0 HG13 ILE A 112 12.853 25.255 2.403 1.00 30.77 H new ATOM 0 HG21 ILE A 112 12.477 26.661 -0.760 1.00 42.78 H new ATOM 0 HG22 ILE A 112 13.287 25.589 -1.598 1.00 42.78 H new ATOM 0 HG23 ILE A 112 11.885 25.208 -0.970 1.00 42.78 H new ATOM 0 HD11 ILE A 112 11.398 27.092 2.386 1.00 31.58 H new ATOM 0 HD12 ILE A 112 12.794 27.531 1.779 1.00 31.58 H new ATOM 0 HD13 ILE A 112 11.573 27.227 0.817 1.00 31.58 H new ATOM 900 N LEU A 113 14.048 22.912 -1.981 1.00 37.35 N ATOM 901 CA LEU A 113 14.769 22.772 -3.241 1.00 36.81 C ATOM 902 C LEU A 113 14.492 23.972 -4.145 1.00 35.49 C ATOM 903 O LEU A 113 13.331 24.345 -4.334 1.00 34.24 O ATOM 904 CB LEU A 113 14.334 21.481 -3.899 1.00 36.64 C ATOM 905 CG LEU A 113 15.033 21.055 -5.171 1.00 36.78 C ATOM 906 CD1 LEU A 113 16.542 20.938 -5.014 1.00 26.23 C ATOM 907 CD2 LEU A 113 14.452 19.746 -5.605 1.00 32.16 C ATOM 0 H LEU A 113 13.254 22.583 -1.991 1.00 37.35 H new ATOM 0 HA LEU A 113 15.725 22.744 -3.079 1.00 36.81 H new ATOM 0 HB2 LEU A 113 14.439 20.768 -3.250 1.00 36.64 H new ATOM 0 HB3 LEU A 113 13.386 21.552 -4.091 1.00 36.64 H new ATOM 0 HG LEU A 113 14.888 21.741 -5.841 1.00 36.78 H new ATOM 0 HD11 LEU A 113 16.935 20.663 -5.857 1.00 26.23 H new ATOM 0 HD12 LEU A 113 16.908 21.797 -4.752 1.00 26.23 H new ATOM 0 HD13 LEU A 113 16.746 20.279 -4.332 1.00 26.23 H new ATOM 0 HD21 LEU A 113 14.887 19.453 -6.421 1.00 32.16 H new ATOM 0 HD22 LEU A 113 14.591 19.084 -4.910 1.00 32.16 H new ATOM 0 HD23 LEU A 113 13.501 19.851 -5.766 1.00 32.16 H new ATOM 908 N VAL A 114 15.487 24.640 -4.721 1.00 32.22 N ATOM 909 CA VAL A 114 15.264 25.848 -5.496 1.00 32.38 C ATOM 910 C VAL A 114 15.807 25.692 -6.903 1.00 33.26 C ATOM 911 O VAL A 114 16.971 25.356 -7.088 1.00 25.39 O ATOM 912 CB VAL A 114 15.936 27.030 -4.790 1.00 35.03 C ATOM 913 CG1 VAL A 114 15.957 28.305 -5.606 1.00 20.01 C ATOM 914 CG2 VAL A 114 15.199 27.326 -3.516 1.00 28.50 C ATOM 0 H VAL A 114 16.312 24.402 -4.671 1.00 32.22 H new ATOM 0 HA VAL A 114 14.310 26.012 -5.563 1.00 32.38 H new ATOM 0 HB VAL A 114 16.856 26.761 -4.638 1.00 35.03 H new ATOM 0 HG11 VAL A 114 16.395 29.007 -5.099 1.00 20.01 H new ATOM 0 HG12 VAL A 114 16.442 28.153 -6.432 1.00 20.01 H new ATOM 0 HG13 VAL A 114 15.048 28.574 -5.810 1.00 20.01 H new ATOM 0 HG21 VAL A 114 15.620 28.074 -3.064 1.00 28.50 H new ATOM 0 HG22 VAL A 114 14.277 27.549 -3.720 1.00 28.50 H new ATOM 0 HG23 VAL A 114 15.223 26.546 -2.940 1.00 28.50 H new ATOM 915 N GLY A 115 14.996 25.906 -7.925 1.00 34.99 N ATOM 916 CA GLY A 115 15.505 26.047 -9.278 1.00 29.81 C ATOM 917 C GLY A 115 15.683 27.506 -9.592 1.00 25.10 C ATOM 918 O GLY A 115 14.706 28.215 -9.826 1.00 27.20 O ATOM 0 H GLY A 115 14.141 25.973 -7.856 1.00 34.99 H new ATOM 0 HA2 GLY A 115 16.351 25.581 -9.367 1.00 29.81 H new ATOM 0 HA3 GLY A 115 14.890 25.642 -9.910 1.00 29.81 H new ATOM 919 N ASN A 116 16.888 28.017 -9.548 1.00 18.65 N ATOM 920 CA ASN A 116 17.092 29.447 -9.734 1.00 24.71 C ATOM 921 C ASN A 116 17.305 29.754 -11.215 1.00 25.33 C ATOM 922 O ASN A 116 17.566 28.846 -12.005 1.00 28.36 O ATOM 923 CB ASN A 116 18.297 29.894 -8.901 1.00 12.96 C ATOM 924 CG ASN A 116 18.568 31.385 -8.876 1.00 15.28 C ATOM 925 OD1 ASN A 116 17.670 32.205 -8.771 1.00 18.15 O ATOM 926 ND2 ASN A 116 19.798 31.833 -8.986 1.00 21.65 N ATOM 0 H ASN A 116 17.606 27.563 -9.413 1.00 18.65 H new ATOM 0 HA ASN A 116 16.308 29.935 -9.437 1.00 24.71 H new ATOM 0 HB2 ASN A 116 18.168 29.591 -7.989 1.00 12.96 H new ATOM 0 HB3 ASN A 116 19.087 29.445 -9.240 1.00 12.96 H new ATOM 0 HD21 ASN A 116 19.949 32.680 -8.982 1.00 21.65 H new ATOM 0 HD22 ASN A 116 20.452 31.280 -9.062 1.00 21.65 H new ATOM 927 N LYS A 117 17.230 31.032 -11.588 1.00 20.70 N ATOM 928 CA LYS A 117 17.466 31.589 -12.908 1.00 20.15 C ATOM 929 C LYS A 117 16.271 31.327 -13.811 1.00 25.89 C ATOM 930 O LYS A 117 16.415 31.068 -14.996 1.00 29.40 O ATOM 931 CB LYS A 117 18.764 31.162 -13.599 1.00 20.16 C ATOM 932 CG LYS A 117 19.977 30.953 -12.745 1.00 15.43 C ATOM 933 CD LYS A 117 21.230 31.433 -13.413 1.00 8.43 C ATOM 934 CE LYS A 117 22.402 30.949 -12.593 1.00 11.91 C ATOM 935 NZ LYS A 117 23.632 31.566 -13.020 1.00 14.72 N ATOM 0 H LYS A 117 17.021 31.644 -11.021 1.00 20.70 H new ATOM 0 HA LYS A 117 17.581 32.540 -12.753 1.00 20.15 H new ATOM 0 HB2 LYS A 117 18.589 30.335 -14.075 1.00 20.16 H new ATOM 0 HB3 LYS A 117 18.981 31.833 -14.265 1.00 20.16 H new ATOM 0 HG2 LYS A 117 19.862 31.421 -11.903 1.00 15.43 H new ATOM 0 HG3 LYS A 117 20.065 30.010 -12.536 1.00 15.43 H new ATOM 0 HD2 LYS A 117 21.285 31.092 -14.319 1.00 8.43 H new ATOM 0 HD3 LYS A 117 21.234 32.401 -13.474 1.00 8.43 H new ATOM 0 HE2 LYS A 117 22.247 31.147 -11.656 1.00 11.91 H new ATOM 0 HE3 LYS A 117 22.477 29.985 -12.671 1.00 11.91 H new ATOM 0 HZ1 LYS A 117 24.311 31.232 -12.551 1.00 14.72 H new ATOM 0 HZ2 LYS A 117 23.761 31.403 -13.885 1.00 14.72 H new ATOM 0 HZ3 LYS A 117 23.585 32.445 -12.888 1.00 14.72 H new ATOM 936 N VAL A 118 15.054 31.417 -13.278 1.00 30.96 N ATOM 937 CA VAL A 118 13.807 31.196 -14.020 1.00 32.46 C ATOM 938 C VAL A 118 13.514 32.307 -15.040 1.00 34.38 C ATOM 939 O VAL A 118 12.738 32.165 -15.977 1.00 34.50 O ATOM 940 CB VAL A 118 12.625 30.992 -12.998 1.00 22.73 C ATOM 941 CG1 VAL A 118 12.041 32.285 -12.460 1.00 4.56 C ATOM 942 CG2 VAL A 118 11.533 30.109 -13.551 1.00 15.47 C ATOM 0 H VAL A 118 14.924 31.614 -12.451 1.00 30.96 H new ATOM 0 HA VAL A 118 13.906 30.390 -14.551 1.00 32.46 H new ATOM 0 HB VAL A 118 13.034 30.539 -12.244 1.00 22.73 H new ATOM 0 HG11 VAL A 118 11.322 32.083 -11.841 1.00 4.56 H new ATOM 0 HG12 VAL A 118 12.733 32.786 -12.000 1.00 4.56 H new ATOM 0 HG13 VAL A 118 11.694 32.814 -13.195 1.00 4.56 H new ATOM 0 HG21 VAL A 118 10.829 30.012 -12.890 1.00 15.47 H new ATOM 0 HG22 VAL A 118 11.168 30.511 -14.355 1.00 15.47 H new ATOM 0 HG23 VAL A 118 11.899 29.236 -13.764 1.00 15.47 H new ATOM 943 N ASP A 119 14.141 33.471 -14.867 1.00 32.75 N ATOM 944 CA ASP A 119 14.066 34.557 -15.820 1.00 32.35 C ATOM 945 C ASP A 119 14.756 34.194 -17.138 1.00 39.06 C ATOM 946 O ASP A 119 14.519 34.831 -18.165 1.00 49.52 O ATOM 947 CB ASP A 119 14.694 35.807 -15.224 1.00 7.91 C ATOM 948 CG ASP A 119 16.157 35.681 -14.844 1.00 20.83 C ATOM 949 OD1 ASP A 119 16.503 34.755 -14.120 1.00 26.75 O ATOM 950 OD2 ASP A 119 16.946 36.519 -15.269 1.00 19.96 O ATOM 0 H ASP A 119 14.627 33.647 -14.180 1.00 32.75 H new ATOM 0 HA ASP A 119 13.131 34.726 -16.014 1.00 32.35 H new ATOM 0 HB2 ASP A 119 14.602 36.532 -15.862 1.00 7.91 H new ATOM 0 HB3 ASP A 119 14.191 36.058 -14.434 1.00 7.91 H new ATOM 951 N LEU A 120 15.626 33.181 -17.154 1.00 33.90 N ATOM 952 CA LEU A 120 16.305 32.721 -18.349 1.00 30.95 C ATOM 953 C LEU A 120 15.569 31.466 -18.850 1.00 36.52 C ATOM 954 O LEU A 120 16.153 30.415 -19.102 1.00 34.92 O ATOM 955 CB LEU A 120 17.772 32.439 -18.012 1.00 11.55 C ATOM 956 CG LEU A 120 18.646 33.553 -17.504 1.00 16.21 C ATOM 957 CD1 LEU A 120 20.022 33.009 -17.208 1.00 3.35 C ATOM 958 CD2 LEU A 120 18.735 34.710 -18.479 1.00 26.78 C ATOM 0 H LEU A 120 15.837 32.737 -16.449 1.00 33.90 H new ATOM 0 HA LEU A 120 16.294 33.389 -19.053 1.00 30.95 H new ATOM 0 HB2 LEU A 120 17.786 31.733 -17.347 1.00 11.55 H new ATOM 0 HB3 LEU A 120 18.190 32.084 -18.812 1.00 11.55 H new ATOM 0 HG LEU A 120 18.244 33.902 -16.693 1.00 16.21 H new ATOM 0 HD11 LEU A 120 20.589 33.724 -16.880 1.00 3.35 H new ATOM 0 HD12 LEU A 120 19.957 32.314 -16.535 1.00 3.35 H new ATOM 0 HD13 LEU A 120 20.405 32.639 -18.019 1.00 3.35 H new ATOM 0 HD21 LEU A 120 19.307 35.401 -18.110 1.00 26.78 H new ATOM 0 HD22 LEU A 120 19.107 34.398 -19.319 1.00 26.78 H new ATOM 0 HD23 LEU A 120 17.849 35.072 -18.633 1.00 26.78 H new ATOM 959 N GLU A 121 14.247 31.599 -19.038 1.00 46.74 N ATOM 960 CA GLU A 121 13.302 30.557 -19.472 1.00 52.58 C ATOM 961 C GLU A 121 13.612 29.979 -20.861 1.00 56.18 C ATOM 962 O GLU A 121 13.269 28.834 -21.153 1.00 58.03 O ATOM 963 CB GLU A 121 11.892 31.183 -19.489 1.00 56.60 C ATOM 964 CG GLU A 121 10.665 30.273 -19.404 1.00 63.24 C ATOM 965 CD GLU A 121 10.415 29.658 -18.031 1.00 65.95 C ATOM 966 OE1 GLU A 121 11.133 28.730 -17.685 1.00 60.31 O ATOM 967 OE2 GLU A 121 9.507 30.093 -17.314 1.00 66.01 O ATOM 0 H GLU A 121 13.853 32.352 -18.906 1.00 46.74 H new ATOM 0 HA GLU A 121 13.372 29.817 -18.849 1.00 52.58 H new ATOM 0 HB2 GLU A 121 11.842 31.808 -18.749 1.00 56.60 H new ATOM 0 HB3 GLU A 121 11.814 31.702 -20.305 1.00 56.60 H new ATOM 0 HG2 GLU A 121 9.882 30.783 -19.663 1.00 63.24 H new ATOM 0 HG3 GLU A 121 10.764 29.557 -20.051 1.00 63.24 H new ATOM 968 N SER A 122 14.242 30.766 -21.745 1.00 54.63 N ATOM 969 CA SER A 122 14.757 30.285 -23.012 1.00 53.09 C ATOM 970 C SER A 122 15.793 29.182 -22.837 1.00 51.53 C ATOM 971 O SER A 122 15.756 28.197 -23.575 1.00 62.16 O ATOM 972 CB SER A 122 15.357 31.445 -23.813 1.00 58.15 C ATOM 973 OG SER A 122 15.934 32.467 -22.997 1.00 82.62 O ATOM 0 H SER A 122 14.379 31.605 -21.613 1.00 54.63 H new ATOM 0 HA SER A 122 14.009 29.904 -23.498 1.00 53.09 H new ATOM 0 HB2 SER A 122 16.037 31.097 -24.411 1.00 58.15 H new ATOM 0 HB3 SER A 122 14.665 31.837 -24.368 1.00 58.15 H new ATOM 0 HG SER A 122 16.247 33.073 -23.487 1.00 82.62 H new ATOM 974 N GLU A 222 16.695 29.290 -21.846 1.00 41.76 N ATOM 975 CA GLU A 222 17.858 28.408 -21.761 1.00 32.66 C ATOM 976 C GLU A 222 17.626 27.145 -20.939 1.00 29.01 C ATOM 977 O GLU A 222 18.558 26.384 -20.661 1.00 38.21 O ATOM 978 CB GLU A 222 19.086 29.199 -21.264 1.00 36.98 C ATOM 979 CG GLU A 222 19.657 30.203 -22.281 1.00 48.81 C ATOM 980 CD GLU A 222 19.981 31.609 -21.761 1.00 70.72 C ATOM 981 OE1 GLU A 222 21.107 31.828 -21.304 1.00 72.07 O ATOM 982 OE2 GLU A 222 19.113 32.490 -21.836 1.00 73.34 O ATOM 0 H GLU A 222 16.645 29.872 -21.215 1.00 41.76 H new ATOM 0 HA GLU A 222 18.028 28.086 -22.660 1.00 32.66 H new ATOM 0 HB2 GLU A 222 18.842 29.678 -20.457 1.00 36.98 H new ATOM 0 HB3 GLU A 222 19.784 28.571 -21.021 1.00 36.98 H new ATOM 0 HG2 GLU A 222 20.468 29.825 -22.655 1.00 48.81 H new ATOM 0 HG3 GLU A 222 19.022 30.289 -23.009 1.00 48.81 H new ATOM 983 N ARG A 123 16.377 26.875 -20.575 1.00 21.79 N ATOM 984 CA ARG A 123 16.058 25.879 -19.582 1.00 18.91 C ATOM 985 C ARG A 123 16.490 24.485 -19.974 1.00 25.48 C ATOM 986 O ARG A 123 16.068 23.954 -20.999 1.00 42.15 O ATOM 987 CB ARG A 123 14.575 25.940 -19.319 1.00 3.05 C ATOM 988 CG ARG A 123 14.079 24.793 -18.493 1.00 18.44 C ATOM 989 CD ARG A 123 12.588 24.907 -18.270 1.00 38.48 C ATOM 990 NE ARG A 123 12.193 26.028 -17.417 1.00 35.44 N ATOM 991 CZ ARG A 123 11.738 25.849 -16.172 1.00 42.68 C ATOM 992 NH1 ARG A 123 11.912 24.694 -15.528 1.00 42.60 N ATOM 993 NH2 ARG A 123 11.140 26.858 -15.537 1.00 38.45 N ATOM 0 H ARG A 123 15.690 27.273 -20.905 1.00 21.79 H new ATOM 0 HA ARG A 123 16.556 26.079 -18.774 1.00 18.91 H new ATOM 0 HB2 ARG A 123 14.366 26.772 -18.866 1.00 3.05 H new ATOM 0 HB3 ARG A 123 14.102 25.951 -20.166 1.00 3.05 H new ATOM 0 HG2 ARG A 123 14.282 23.955 -18.938 1.00 18.44 H new ATOM 0 HG3 ARG A 123 14.539 24.779 -17.639 1.00 18.44 H new ATOM 0 HD2 ARG A 123 12.149 24.998 -19.130 1.00 38.48 H new ATOM 0 HD3 ARG A 123 12.267 24.083 -17.873 1.00 38.48 H new ATOM 0 HE ARG A 123 12.255 26.828 -17.726 1.00 35.44 H new ATOM 0 HH11 ARG A 123 12.324 24.045 -15.913 1.00 42.60 H new ATOM 0 HH12 ARG A 123 11.612 24.598 -14.728 1.00 42.60 H new ATOM 0 HH21 ARG A 123 11.049 27.618 -15.928 1.00 38.45 H new ATOM 0 HH22 ARG A 123 10.846 26.748 -14.736 1.00 38.45 H new ATOM 994 N GLU A 124 17.349 23.870 -19.165 1.00 27.28 N ATOM 995 CA GLU A 124 17.696 22.475 -19.294 1.00 19.50 C ATOM 996 C GLU A 124 16.905 21.571 -18.368 1.00 26.23 C ATOM 997 O GLU A 124 16.708 20.387 -18.689 1.00 29.55 O ATOM 998 CB GLU A 124 19.169 22.282 -19.078 1.00 23.19 C ATOM 999 CG GLU A 124 19.930 23.102 -20.101 1.00 35.66 C ATOM 1000 CD GLU A 124 21.443 22.993 -20.098 1.00 53.03 C ATOM 1001 OE1 GLU A 124 22.001 22.117 -19.436 1.00 50.94 O ATOM 1002 OE2 GLU A 124 22.062 23.804 -20.786 1.00 62.91 O ATOM 0 H GLU A 124 17.750 24.267 -18.516 1.00 27.28 H new ATOM 0 HA GLU A 124 17.461 22.216 -20.199 1.00 19.50 H new ATOM 0 HB2 GLU A 124 19.414 22.555 -18.180 1.00 23.19 H new ATOM 0 HB3 GLU A 124 19.400 21.344 -19.162 1.00 23.19 H new ATOM 0 HG2 GLU A 124 19.613 22.850 -20.983 1.00 35.66 H new ATOM 0 HG3 GLU A 124 19.696 24.034 -19.971 1.00 35.66 H new ATOM 1003 N VAL A 125 16.430 22.078 -17.231 1.00 33.99 N ATOM 1004 CA VAL A 125 15.704 21.273 -16.259 1.00 37.08 C ATOM 1005 C VAL A 125 14.264 21.757 -16.159 1.00 46.59 C ATOM 1006 O VAL A 125 13.983 22.909 -15.821 1.00 47.83 O ATOM 1007 CB VAL A 125 16.305 21.337 -14.846 1.00 29.88 C ATOM 1008 CG1 VAL A 125 15.623 20.290 -13.960 1.00 21.17 C ATOM 1009 CG2 VAL A 125 17.810 21.229 -14.834 1.00 17.47 C ATOM 0 H VAL A 125 16.522 22.902 -17.004 1.00 33.99 H new ATOM 0 HA VAL A 125 15.760 20.358 -16.577 1.00 37.08 H new ATOM 0 HB VAL A 125 16.127 22.217 -14.478 1.00 29.88 H new ATOM 0 HG11 VAL A 125 15.999 20.327 -13.067 1.00 21.17 H new ATOM 0 HG12 VAL A 125 14.671 20.473 -13.917 1.00 21.17 H new ATOM 0 HG13 VAL A 125 15.766 19.407 -14.334 1.00 21.17 H new ATOM 0 HG21 VAL A 125 18.131 21.275 -13.920 1.00 17.47 H new ATOM 0 HG22 VAL A 125 18.077 20.384 -15.227 1.00 17.47 H new ATOM 0 HG23 VAL A 125 18.191 21.959 -15.347 1.00 17.47 H new ATOM 1010 N SER A 126 13.332 20.863 -16.443 1.00 50.52 N ATOM 1011 CA SER A 126 11.932 21.201 -16.349 1.00 53.74 C ATOM 1012 C SER A 126 11.506 21.302 -14.904 1.00 52.98 C ATOM 1013 O SER A 126 11.966 20.541 -14.050 1.00 56.45 O ATOM 1014 CB SER A 126 11.098 20.137 -17.056 1.00 54.74 C ATOM 1015 OG SER A 126 11.623 18.822 -16.895 1.00 53.50 O ATOM 0 H SER A 126 13.493 20.056 -16.692 1.00 50.52 H new ATOM 0 HA SER A 126 11.792 22.061 -16.775 1.00 53.74 H new ATOM 0 HB2 SER A 126 10.191 20.162 -16.712 1.00 54.74 H new ATOM 0 HB3 SER A 126 11.049 20.347 -18.002 1.00 54.74 H new ATOM 0 HG SER A 126 11.132 18.273 -17.299 1.00 53.50 H new ATOM 1016 N SER A 127 10.557 22.207 -14.700 1.00 52.34 N ATOM 1017 CA SER A 127 9.762 22.296 -13.497 1.00 50.65 C ATOM 1018 C SER A 127 9.443 20.923 -12.917 1.00 51.99 C ATOM 1019 O SER A 127 9.900 20.594 -11.830 1.00 53.71 O ATOM 1020 CB SER A 127 8.485 23.058 -13.824 1.00 43.90 C ATOM 1021 OG SER A 127 8.747 24.282 -14.503 1.00 58.37 O ATOM 0 H SER A 127 10.355 22.806 -15.283 1.00 52.34 H new ATOM 0 HA SER A 127 10.269 22.767 -12.817 1.00 50.65 H new ATOM 0 HB2 SER A 127 7.910 22.502 -14.373 1.00 43.90 H new ATOM 0 HB3 SER A 127 8.001 23.242 -13.004 1.00 43.90 H new ATOM 0 HG SER A 127 9.077 24.836 -13.965 1.00 58.37 H new ATOM 1022 N SER A 128 8.810 20.031 -13.669 1.00 55.27 N ATOM 1023 CA SER A 128 8.392 18.752 -13.123 1.00 59.82 C ATOM 1024 C SER A 128 9.511 17.793 -12.717 1.00 60.49 C ATOM 1025 O SER A 128 9.290 16.943 -11.858 1.00 59.15 O ATOM 1026 CB SER A 128 7.350 18.145 -14.050 1.00 65.16 C ATOM 1027 OG SER A 128 6.325 19.131 -14.179 1.00 72.14 O ATOM 0 H SER A 128 8.614 20.149 -14.498 1.00 55.27 H new ATOM 0 HA SER A 128 7.990 18.927 -12.258 1.00 59.82 H new ATOM 0 HB2 SER A 128 7.736 17.929 -14.913 1.00 65.16 H new ATOM 0 HB3 SER A 128 6.996 17.320 -13.683 1.00 65.16 H new ATOM 0 HG SER A 128 5.721 18.843 -14.687 1.00 72.14 H new ATOM 1028 N GLU A 129 10.740 17.950 -13.227 1.00 62.11 N ATOM 1029 CA GLU A 129 11.861 17.166 -12.721 1.00 64.74 C ATOM 1030 C GLU A 129 12.204 17.636 -11.313 1.00 66.56 C ATOM 1031 O GLU A 129 12.403 16.815 -10.416 1.00 68.28 O ATOM 1032 CB GLU A 129 13.116 17.323 -13.557 1.00 66.90 C ATOM 1033 CG GLU A 129 13.203 16.574 -14.865 1.00 58.73 C ATOM 1034 CD GLU A 129 14.502 16.888 -15.596 1.00 72.38 C ATOM 1035 OE1 GLU A 129 15.555 16.398 -15.181 1.00 75.28 O ATOM 1036 OE2 GLU A 129 14.464 17.634 -16.574 1.00 75.89 O ATOM 0 H GLU A 129 10.938 18.499 -13.858 1.00 62.11 H new ATOM 0 HA GLU A 129 11.583 16.237 -12.746 1.00 64.74 H new ATOM 0 HB2 GLU A 129 13.228 18.267 -13.749 1.00 66.90 H new ATOM 0 HB3 GLU A 129 13.871 17.053 -13.011 1.00 66.90 H new ATOM 0 HG2 GLU A 129 13.145 15.620 -14.699 1.00 58.73 H new ATOM 0 HG3 GLU A 129 12.448 16.810 -15.426 1.00 58.73 H new ATOM 1037 N GLY A 130 12.266 18.960 -11.111 1.00 64.56 N ATOM 1038 CA GLY A 130 12.570 19.529 -9.812 1.00 62.36 C ATOM 1039 C GLY A 130 11.449 19.233 -8.830 1.00 59.97 C ATOM 1040 O GLY A 130 11.667 18.775 -7.714 1.00 58.02 O ATOM 0 H GLY A 130 12.132 19.544 -11.728 1.00 64.56 H new ATOM 0 HA2 GLY A 130 13.405 19.163 -9.479 1.00 62.36 H new ATOM 0 HA3 GLY A 130 12.693 20.488 -9.893 1.00 62.36 H new ATOM 1041 N ARG A 131 10.226 19.456 -9.293 1.00 58.52 N ATOM 1042 CA ARG A 131 9.000 19.236 -8.552 1.00 57.94 C ATOM 1043 C ARG A 131 8.929 17.822 -8.036 1.00 57.90 C ATOM 1044 O ARG A 131 8.525 17.599 -6.900 1.00 58.83 O ATOM 1045 CB ARG A 131 7.817 19.466 -9.472 1.00 60.43 C ATOM 1046 CG ARG A 131 6.798 20.396 -8.868 1.00 66.63 C ATOM 1047 CD ARG A 131 6.353 21.405 -9.920 1.00 80.49 C ATOM 1048 NE ARG A 131 5.629 22.517 -9.303 1.00 94.24 N ATOM 1049 CZ ARG A 131 5.574 23.759 -9.821 1.00 97.41 C ATOM 1050 NH1 ARG A 131 6.172 24.077 -10.972 1.00 99.98 N ATOM 1051 NH2 ARG A 131 4.908 24.714 -9.167 1.00 92.70 N ATOM 0 H ARG A 131 10.085 19.754 -10.087 1.00 58.52 H new ATOM 0 HA ARG A 131 8.982 19.850 -7.802 1.00 57.94 H new ATOM 0 HB2 ARG A 131 8.130 19.834 -10.313 1.00 60.43 H new ATOM 0 HB3 ARG A 131 7.397 18.616 -9.674 1.00 60.43 H new ATOM 0 HG2 ARG A 131 6.035 19.891 -8.545 1.00 66.63 H new ATOM 0 HG3 ARG A 131 7.178 20.856 -8.103 1.00 66.63 H new ATOM 0 HD2 ARG A 131 7.127 21.743 -10.397 1.00 80.49 H new ATOM 0 HD3 ARG A 131 5.785 20.967 -10.574 1.00 80.49 H new ATOM 0 HE ARG A 131 5.213 22.368 -8.565 1.00 94.24 H new ATOM 0 HH11 ARG A 131 6.610 23.479 -11.408 1.00 99.98 H new ATOM 0 HH12 ARG A 131 6.119 24.879 -11.277 1.00 99.98 H new ATOM 0 HH21 ARG A 131 4.519 24.533 -8.422 1.00 92.70 H new ATOM 0 HH22 ARG A 131 4.868 25.510 -9.491 1.00 92.70 H new ATOM 1052 N ALA A 132 9.326 16.859 -8.862 1.00 56.76 N ATOM 1053 CA ALA A 132 9.364 15.477 -8.438 1.00 57.27 C ATOM 1054 C ALA A 132 10.450 15.244 -7.403 1.00 60.08 C ATOM 1055 O ALA A 132 10.190 14.588 -6.389 1.00 62.99 O ATOM 1056 CB ALA A 132 9.673 14.567 -9.611 1.00 60.13 C ATOM 0 H ALA A 132 9.577 16.992 -9.674 1.00 56.76 H new ATOM 0 HA ALA A 132 8.492 15.280 -8.062 1.00 57.27 H new ATOM 0 HB1 ALA A 132 9.695 13.645 -9.309 1.00 60.13 H new ATOM 0 HB2 ALA A 132 8.987 14.669 -10.289 1.00 60.13 H new ATOM 0 HB3 ALA A 132 10.535 14.804 -9.986 1.00 60.13 H new ATOM 1057 N LEU A 133 11.653 15.796 -7.602 1.00 58.23 N ATOM 1058 CA LEU A 133 12.749 15.608 -6.669 1.00 55.03 C ATOM 1059 C LEU A 133 12.371 16.129 -5.298 1.00 54.24 C ATOM 1060 O LEU A 133 12.574 15.443 -4.303 1.00 56.38 O ATOM 1061 CB LEU A 133 13.982 16.332 -7.145 1.00 50.75 C ATOM 1062 CG LEU A 133 15.224 16.086 -6.335 1.00 49.90 C ATOM 1063 CD1 LEU A 133 15.551 14.603 -6.334 1.00 48.91 C ATOM 1064 CD2 LEU A 133 16.370 16.919 -6.868 1.00 45.31 C ATOM 0 H LEU A 133 11.848 16.286 -8.281 1.00 58.23 H new ATOM 0 HA LEU A 133 12.935 14.657 -6.616 1.00 55.03 H new ATOM 0 HB2 LEU A 133 14.156 16.074 -8.064 1.00 50.75 H new ATOM 0 HB3 LEU A 133 13.799 17.285 -7.148 1.00 50.75 H new ATOM 0 HG LEU A 133 15.073 16.357 -5.416 1.00 49.90 H new ATOM 0 HD11 LEU A 133 16.353 14.449 -5.810 1.00 48.91 H new ATOM 0 HD12 LEU A 133 14.812 14.109 -5.946 1.00 48.91 H new ATOM 0 HD13 LEU A 133 15.697 14.303 -7.245 1.00 48.91 H new ATOM 0 HD21 LEU A 133 17.165 16.752 -6.338 1.00 45.31 H new ATOM 0 HD22 LEU A 133 16.542 16.680 -7.792 1.00 45.31 H new ATOM 0 HD23 LEU A 133 16.138 17.859 -6.816 1.00 45.31 H new ATOM 1065 N ALA A 134 11.769 17.311 -5.261 1.00 50.61 N ATOM 1066 CA ALA A 134 11.284 17.908 -4.038 1.00 49.97 C ATOM 1067 C ALA A 134 10.242 17.058 -3.355 1.00 53.33 C ATOM 1068 O ALA A 134 10.215 16.990 -2.131 1.00 55.55 O ATOM 1069 CB ALA A 134 10.611 19.210 -4.350 1.00 36.34 C ATOM 0 H ALA A 134 11.631 17.792 -5.960 1.00 50.61 H new ATOM 0 HA ALA A 134 12.056 18.012 -3.460 1.00 49.97 H new ATOM 0 HB1 ALA A 134 10.285 19.611 -3.529 1.00 36.34 H new ATOM 0 HB2 ALA A 134 11.246 19.810 -4.773 1.00 36.34 H new ATOM 0 HB3 ALA A 134 9.866 19.053 -4.951 1.00 36.34 H new ATOM 1070 N GLU A 135 9.372 16.379 -4.094 1.00 59.23 N ATOM 1071 CA GLU A 135 8.394 15.533 -3.441 1.00 61.50 C ATOM 1072 C GLU A 135 8.914 14.155 -3.036 1.00 58.75 C ATOM 1073 O GLU A 135 8.452 13.607 -2.033 1.00 59.03 O ATOM 1074 CB GLU A 135 7.063 15.500 -4.193 1.00 65.93 C ATOM 1075 CG GLU A 135 5.859 15.235 -3.274 1.00 86.58 C ATOM 1076 CD GLU A 135 5.762 16.034 -1.949 1.00 91.08 C ATOM 1077 OE1 GLU A 135 6.028 17.248 -1.916 1.00 93.97 O ATOM 1078 OE2 GLU A 135 5.413 15.417 -0.931 1.00 82.68 O ATOM 0 H GLU A 135 9.333 16.395 -4.953 1.00 59.23 H new ATOM 0 HA GLU A 135 8.212 15.960 -2.589 1.00 61.50 H new ATOM 0 HB2 GLU A 135 6.935 16.346 -4.650 1.00 65.93 H new ATOM 0 HB3 GLU A 135 7.100 14.812 -4.876 1.00 65.93 H new ATOM 0 HG2 GLU A 135 5.052 15.408 -3.784 1.00 86.58 H new ATOM 0 HG3 GLU A 135 5.857 14.291 -3.052 1.00 86.58 H new ATOM 1079 N GLU A 136 9.909 13.577 -3.711 1.00 55.45 N ATOM 1080 CA GLU A 136 10.585 12.414 -3.168 1.00 55.36 C ATOM 1081 C GLU A 136 11.310 12.838 -1.890 1.00 61.84 C ATOM 1082 O GLU A 136 11.346 12.099 -0.905 1.00 67.64 O ATOM 1083 CB GLU A 136 11.575 11.845 -4.164 1.00 57.40 C ATOM 1084 CG GLU A 136 12.167 10.522 -3.654 1.00 72.11 C ATOM 1085 CD GLU A 136 13.289 9.889 -4.479 1.00 82.92 C ATOM 1086 OE1 GLU A 136 13.876 10.550 -5.345 1.00 92.01 O ATOM 1087 OE2 GLU A 136 13.583 8.713 -4.237 1.00 85.03 O ATOM 0 H GLU A 136 10.200 13.843 -4.475 1.00 55.45 H new ATOM 0 HA GLU A 136 9.934 11.721 -2.975 1.00 55.36 H new ATOM 0 HB2 GLU A 136 11.135 11.700 -5.016 1.00 57.40 H new ATOM 0 HB3 GLU A 136 12.288 12.484 -4.318 1.00 57.40 H new ATOM 0 HG2 GLU A 136 12.502 10.670 -2.756 1.00 72.11 H new ATOM 0 HG3 GLU A 136 11.445 9.877 -3.585 1.00 72.11 H new ATOM 1088 N TRP A 137 11.885 14.045 -1.890 1.00 62.31 N ATOM 1089 CA TRP A 137 12.503 14.620 -0.706 1.00 59.47 C ATOM 1090 C TRP A 137 11.498 15.202 0.292 1.00 61.43 C ATOM 1091 O TRP A 137 11.916 15.691 1.341 1.00 67.13 O ATOM 1092 CB TRP A 137 13.468 15.733 -1.101 1.00 51.40 C ATOM 1093 CG TRP A 137 14.774 15.362 -1.794 1.00 40.06 C ATOM 1094 CD1 TRP A 137 15.174 14.073 -2.027 1.00 34.84 C ATOM 1095 CD2 TRP A 137 15.701 16.290 -2.195 1.00 35.05 C ATOM 1096 NE1 TRP A 137 16.365 14.190 -2.561 1.00 55.06 N ATOM 1097 CE2 TRP A 137 16.714 15.488 -2.683 1.00 42.33 C ATOM 1098 CE3 TRP A 137 15.809 17.667 -2.209 1.00 38.00 C ATOM 1099 CZ2 TRP A 137 17.855 16.065 -3.202 1.00 42.32 C ATOM 1100 CZ3 TRP A 137 16.953 18.232 -2.723 1.00 41.33 C ATOM 1101 CH2 TRP A 137 17.965 17.440 -3.217 1.00 44.84 C ATOM 0 H TRP A 137 11.924 14.551 -2.584 1.00 62.31 H new ATOM 0 HA TRP A 137 12.964 13.885 -0.272 1.00 59.47 H new ATOM 0 HB2 TRP A 137 12.990 16.343 -1.684 1.00 51.40 H new ATOM 0 HB3 TRP A 137 13.692 16.226 -0.296 1.00 51.40 H new ATOM 0 HD1 TRP A 137 14.705 13.290 -1.847 1.00 34.84 H new ATOM 0 HE1 TRP A 137 16.858 13.528 -2.802 1.00 55.06 H new ATOM 0 HE3 TRP A 137 15.123 18.201 -1.878 1.00 38.00 H new ATOM 0 HZ2 TRP A 137 18.541 15.534 -3.537 1.00 42.32 H new ATOM 0 HZ3 TRP A 137 17.044 19.157 -2.737 1.00 41.33 H new ATOM 0 HH2 TRP A 137 18.731 17.836 -3.565 1.00 44.84 H new ATOM 1102 N GLY A 138 10.189 15.235 0.019 1.00 57.97 N ATOM 1103 CA GLY A 138 9.191 15.763 0.940 1.00 56.83 C ATOM 1104 C GLY A 138 9.350 17.241 1.300 1.00 59.43 C ATOM 1105 O GLY A 138 8.762 17.698 2.283 1.00 62.61 O ATOM 0 H GLY A 138 9.857 14.945 -0.719 1.00 57.97 H new ATOM 0 HA2 GLY A 138 8.312 15.633 0.550 1.00 56.83 H new ATOM 0 HA3 GLY A 138 9.219 15.242 1.757 1.00 56.83 H new ATOM 1106 N CYS A 139 10.087 18.040 0.530 1.00 60.04 N ATOM 1107 CA CYS A 139 10.345 19.423 0.889 1.00 54.71 C ATOM 1108 C CYS A 139 9.561 20.354 -0.030 1.00 52.67 C ATOM 1109 O CYS A 139 8.973 19.885 -1.015 1.00 57.58 O ATOM 1110 CB CYS A 139 11.844 19.687 0.811 1.00 53.59 C ATOM 1111 SG CYS A 139 12.599 19.532 -0.826 1.00 57.87 S ATOM 0 H CYS A 139 10.448 17.793 -0.211 1.00 60.04 H new ATOM 0 HA CYS A 139 10.051 19.593 1.797 1.00 54.71 H new ATOM 0 HB2 CYS A 139 12.013 20.583 1.141 1.00 53.59 H new ATOM 0 HB3 CYS A 139 12.293 19.073 1.413 1.00 53.59 H new ATOM 0 HG CYS A 139 12.280 20.469 -1.505 1.00 57.87 H new ATOM 1112 N PRO A 140 9.438 21.667 0.234 1.00 49.46 N ATOM 1113 CA PRO A 140 8.955 22.636 -0.755 1.00 46.38 C ATOM 1114 C PRO A 140 9.905 22.802 -1.959 1.00 46.68 C ATOM 1115 O PRO A 140 11.123 22.557 -1.889 1.00 45.48 O ATOM 1116 CB PRO A 140 8.837 23.924 0.046 1.00 36.05 C ATOM 1117 CG PRO A 140 8.599 23.435 1.450 1.00 37.46 C ATOM 1118 CD PRO A 140 9.563 22.275 1.554 1.00 36.12 C ATOM 0 HA PRO A 140 8.120 22.354 -1.160 1.00 46.38 H new ATOM 0 HB2 PRO A 140 9.644 24.459 -0.015 1.00 36.05 H new ATOM 0 HB3 PRO A 140 8.105 24.477 -0.270 1.00 36.05 H new ATOM 0 HG2 PRO A 140 8.786 24.122 2.109 1.00 37.46 H new ATOM 0 HG3 PRO A 140 7.680 23.155 1.585 1.00 37.46 H new ATOM 0 HD2 PRO A 140 10.469 22.570 1.735 1.00 36.12 H new ATOM 0 HD3 PRO A 140 9.318 21.660 2.263 1.00 36.12 H new ATOM 1119 N PHE A 141 9.315 23.231 -3.065 1.00 47.15 N ATOM 1120 CA PHE A 141 10.011 23.489 -4.323 1.00 43.08 C ATOM 1121 C PHE A 141 9.653 24.894 -4.795 1.00 40.74 C ATOM 1122 O PHE A 141 8.501 25.328 -4.658 1.00 42.90 O ATOM 1123 CB PHE A 141 9.582 22.444 -5.379 1.00 39.14 C ATOM 1124 CG PHE A 141 10.271 22.648 -6.718 1.00 47.57 C ATOM 1125 CD1 PHE A 141 11.646 22.475 -6.825 1.00 47.35 C ATOM 1126 CD2 PHE A 141 9.520 23.013 -7.825 1.00 32.75 C ATOM 1127 CE1 PHE A 141 12.274 22.720 -8.036 1.00 49.41 C ATOM 1128 CE2 PHE A 141 10.151 23.266 -9.032 1.00 29.19 C ATOM 1129 CZ PHE A 141 11.528 23.126 -9.136 1.00 45.31 C ATOM 0 H PHE A 141 8.470 23.386 -3.108 1.00 47.15 H new ATOM 0 HA PHE A 141 10.970 23.422 -4.196 1.00 43.08 H new ATOM 0 HB2 PHE A 141 9.782 21.554 -5.048 1.00 39.14 H new ATOM 0 HB3 PHE A 141 8.621 22.491 -5.503 1.00 39.14 H new ATOM 0 HD1 PHE A 141 12.141 22.197 -6.089 1.00 47.35 H new ATOM 0 HD2 PHE A 141 8.595 23.088 -7.757 1.00 32.75 H new ATOM 0 HE1 PHE A 141 13.195 22.613 -8.112 1.00 49.41 H new ATOM 0 HE2 PHE A 141 9.653 23.529 -9.772 1.00 29.19 H new ATOM 0 HZ PHE A 141 11.953 23.304 -9.944 1.00 45.31 H new ATOM 1130 N MET A 142 10.633 25.669 -5.259 1.00 39.20 N ATOM 1131 CA MET A 142 10.410 27.004 -5.798 1.00 33.96 C ATOM 1132 C MET A 142 11.327 27.204 -6.995 1.00 30.09 C ATOM 1133 O MET A 142 12.474 26.742 -7.022 1.00 28.01 O ATOM 1134 CB MET A 142 10.741 28.104 -4.776 1.00 38.52 C ATOM 1135 CG MET A 142 9.813 28.197 -3.568 1.00 56.89 C ATOM 1136 SD MET A 142 10.267 29.500 -2.403 1.00 53.79 S ATOM 1137 CE MET A 142 9.818 30.928 -3.352 1.00 53.69 C ATOM 0 H MET A 142 11.458 25.427 -5.268 1.00 39.20 H new ATOM 0 HA MET A 142 9.472 27.071 -6.037 1.00 33.96 H new ATOM 0 HB2 MET A 142 11.646 27.962 -4.456 1.00 38.52 H new ATOM 0 HB3 MET A 142 10.733 28.959 -5.234 1.00 38.52 H new ATOM 0 HG2 MET A 142 8.907 28.352 -3.877 1.00 56.89 H new ATOM 0 HG3 MET A 142 9.812 27.345 -3.104 1.00 56.89 H new ATOM 0 HE1 MET A 142 10.577 31.528 -3.413 1.00 53.69 H new ATOM 0 HE2 MET A 142 9.551 30.654 -4.243 1.00 53.69 H new ATOM 0 HE3 MET A 142 9.079 31.385 -2.920 1.00 53.69 H new ATOM 1138 N GLU A 143 10.845 27.881 -8.023 1.00 27.76 N ATOM 1139 CA GLU A 143 11.753 28.346 -9.045 1.00 25.59 C ATOM 1140 C GLU A 143 11.837 29.848 -8.848 1.00 25.50 C ATOM 1141 O GLU A 143 10.817 30.511 -8.653 1.00 29.61 O ATOM 1142 CB GLU A 143 11.293 27.925 -10.431 1.00 27.00 C ATOM 1143 CG GLU A 143 11.229 26.414 -10.620 1.00 30.91 C ATOM 1144 CD GLU A 143 10.918 25.960 -12.029 1.00 40.23 C ATOM 1145 OE1 GLU A 143 10.001 26.503 -12.641 1.00 66.62 O ATOM 1146 OE2 GLU A 143 11.601 25.062 -12.515 1.00 45.52 O ATOM 0 H GLU A 143 10.016 28.077 -8.144 1.00 27.76 H new ATOM 0 HA GLU A 143 12.636 27.952 -8.970 1.00 25.59 H new ATOM 0 HB2 GLU A 143 10.416 28.302 -10.601 1.00 27.00 H new ATOM 0 HB3 GLU A 143 11.896 28.301 -11.092 1.00 27.00 H new ATOM 0 HG2 GLU A 143 12.079 26.031 -10.351 1.00 30.91 H new ATOM 0 HG3 GLU A 143 10.555 26.055 -10.022 1.00 30.91 H new ATOM 1147 N THR A 144 13.040 30.404 -8.822 1.00 25.85 N ATOM 1148 CA THR A 144 13.249 31.791 -8.468 1.00 24.25 C ATOM 1149 C THR A 144 14.104 32.460 -9.544 1.00 27.34 C ATOM 1150 O THR A 144 14.675 31.845 -10.447 1.00 25.21 O ATOM 1151 CB THR A 144 13.915 31.930 -7.061 1.00 24.23 C ATOM 1152 OG1 THR A 144 15.053 31.082 -7.014 1.00 21.82 O ATOM 1153 CG2 THR A 144 12.988 31.591 -5.930 1.00 27.84 C ATOM 0 H THR A 144 13.763 29.979 -9.012 1.00 25.85 H new ATOM 0 HA THR A 144 12.387 32.234 -8.418 1.00 24.25 H new ATOM 0 HB THR A 144 14.162 32.861 -6.945 1.00 24.23 H new ATOM 0 HG1 THR A 144 15.422 31.149 -6.262 1.00 21.82 H new ATOM 0 HG21 THR A 144 13.455 31.695 -5.086 1.00 27.84 H new ATOM 0 HG22 THR A 144 12.222 32.185 -5.950 1.00 27.84 H new ATOM 0 HG23 THR A 144 12.688 30.673 -6.022 1.00 27.84 H new ATOM 1154 N SER A 145 14.143 33.765 -9.493 1.00 26.96 N ATOM 1155 CA SER A 145 15.099 34.540 -10.203 1.00 26.27 C ATOM 1156 C SER A 145 15.592 35.394 -9.050 1.00 30.58 C ATOM 1157 O SER A 145 14.800 36.101 -8.409 1.00 29.25 O ATOM 1158 CB SER A 145 14.360 35.384 -11.219 1.00 24.86 C ATOM 1159 OG SER A 145 15.201 36.387 -11.761 1.00 28.50 O ATOM 0 H SER A 145 13.593 34.235 -9.027 1.00 26.96 H new ATOM 0 HA SER A 145 15.790 34.064 -10.690 1.00 26.27 H new ATOM 0 HB2 SER A 145 14.027 34.818 -11.932 1.00 24.86 H new ATOM 0 HB3 SER A 145 13.588 35.797 -10.800 1.00 24.86 H new ATOM 0 HG SER A 145 14.767 36.849 -12.312 1.00 28.50 H new ATOM 1160 N ALA A 146 16.903 35.325 -8.792 1.00 32.20 N ATOM 1161 CA ALA A 146 17.603 36.230 -7.897 1.00 26.91 C ATOM 1162 C ALA A 146 17.418 37.682 -8.274 1.00 30.38 C ATOM 1163 O ALA A 146 17.790 38.560 -7.506 1.00 35.00 O ATOM 1164 CB ALA A 146 19.079 35.941 -7.941 1.00 10.54 C ATOM 0 H ALA A 146 17.416 34.732 -9.146 1.00 32.20 H new ATOM 0 HA ALA A 146 17.231 36.086 -7.013 1.00 26.91 H new ATOM 0 HB1 ALA A 146 19.545 36.546 -7.343 1.00 10.54 H new ATOM 0 HB2 ALA A 146 19.238 35.025 -7.663 1.00 10.54 H new ATOM 0 HB3 ALA A 146 19.406 36.065 -8.846 1.00 10.54 H new ATOM 1165 N LYS A 147 16.863 37.984 -9.458 1.00 34.72 N ATOM 1166 CA LYS A 147 16.490 39.340 -9.844 1.00 33.19 C ATOM 1167 C LYS A 147 15.182 39.863 -9.207 1.00 32.74 C ATOM 1168 O LYS A 147 14.856 41.056 -9.263 1.00 32.66 O ATOM 1169 CB LYS A 147 16.458 39.423 -11.371 1.00 33.77 C ATOM 1170 CG LYS A 147 17.845 39.470 -12.018 1.00 52.09 C ATOM 1171 CD LYS A 147 17.810 39.603 -13.535 1.00 49.32 C ATOM 1172 CE LYS A 147 19.204 39.784 -14.106 1.00 66.48 C ATOM 1173 NZ LYS A 147 19.185 39.960 -15.544 1.00 74.69 N ATOM 0 H LYS A 147 16.694 37.395 -10.061 1.00 34.72 H new ATOM 0 HA LYS A 147 17.168 39.936 -9.487 1.00 33.19 H new ATOM 0 HB2 LYS A 147 15.975 38.657 -11.718 1.00 33.77 H new ATOM 0 HB3 LYS A 147 15.961 40.214 -11.633 1.00 33.77 H new ATOM 0 HG2 LYS A 147 18.341 40.217 -11.647 1.00 52.09 H new ATOM 0 HG3 LYS A 147 18.330 38.663 -11.783 1.00 52.09 H new ATOM 0 HD2 LYS A 147 17.400 38.813 -13.921 1.00 49.32 H new ATOM 0 HD3 LYS A 147 17.256 40.360 -13.783 1.00 49.32 H new ATOM 0 HE2 LYS A 147 19.624 40.554 -13.693 1.00 66.48 H new ATOM 0 HE3 LYS A 147 19.746 39.011 -13.883 1.00 66.48 H new ATOM 0 HZ1 LYS A 147 20.017 40.063 -15.842 1.00 74.69 H new ATOM 0 HZ2 LYS A 147 18.820 39.244 -15.926 1.00 74.69 H new ATOM 0 HZ3 LYS A 147 18.706 40.682 -15.749 1.00 74.69 H new ATOM 1174 N SER A 148 14.383 39.009 -8.562 1.00 30.77 N ATOM 1175 CA SER A 148 13.146 39.429 -7.934 1.00 30.09 C ATOM 1176 C SER A 148 13.252 39.427 -6.409 1.00 31.11 C ATOM 1177 O SER A 148 13.255 38.355 -5.789 1.00 26.36 O ATOM 1178 CB SER A 148 12.098 38.467 -8.405 1.00 28.14 C ATOM 1179 OG SER A 148 10.820 38.611 -7.824 1.00 30.26 O ATOM 0 H SER A 148 14.551 38.169 -8.481 1.00 30.77 H new ATOM 0 HA SER A 148 12.927 40.342 -8.179 1.00 30.09 H new ATOM 0 HB2 SER A 148 12.009 38.559 -9.367 1.00 28.14 H new ATOM 0 HB3 SER A 148 12.412 37.565 -8.234 1.00 28.14 H new ATOM 0 HG SER A 148 10.230 38.488 -8.410 1.00 30.26 H new ATOM 1180 N LYS A 149 13.277 40.626 -5.812 1.00 29.02 N ATOM 1181 CA LYS A 149 13.202 40.855 -4.374 1.00 31.27 C ATOM 1182 C LYS A 149 12.035 40.109 -3.773 1.00 27.08 C ATOM 1183 O LYS A 149 12.222 39.314 -2.862 1.00 32.69 O ATOM 1184 CB LYS A 149 13.040 42.343 -4.074 1.00 39.84 C ATOM 1185 CG LYS A 149 12.940 42.743 -2.602 1.00 59.79 C ATOM 1186 CD LYS A 149 14.202 42.360 -1.855 1.00 59.26 C ATOM 1187 CE LYS A 149 14.138 42.838 -0.427 1.00 62.55 C ATOM 1188 NZ LYS A 149 15.257 42.263 0.287 1.00 70.50 N ATOM 0 H LYS A 149 13.341 41.357 -6.260 1.00 29.02 H new ATOM 0 HA LYS A 149 14.029 40.532 -3.983 1.00 31.27 H new ATOM 0 HB2 LYS A 149 13.793 42.814 -4.465 1.00 39.84 H new ATOM 0 HB3 LYS A 149 12.242 42.658 -4.528 1.00 39.84 H new ATOM 0 HG2 LYS A 149 12.795 43.699 -2.531 1.00 59.79 H new ATOM 0 HG3 LYS A 149 12.174 42.309 -2.196 1.00 59.79 H new ATOM 0 HD2 LYS A 149 14.316 41.397 -1.874 1.00 59.26 H new ATOM 0 HD3 LYS A 149 14.975 42.746 -2.296 1.00 59.26 H new ATOM 0 HE2 LYS A 149 14.175 43.807 -0.392 1.00 62.55 H new ATOM 0 HE3 LYS A 149 13.301 42.571 -0.017 1.00 62.55 H new ATOM 0 HZ1 LYS A 149 15.590 42.865 0.852 1.00 70.50 H new ATOM 0 HZ2 LYS A 149 14.984 41.549 0.742 1.00 70.50 H new ATOM 0 HZ3 LYS A 149 15.887 42.021 -0.293 1.00 70.50 H new ATOM 1189 N THR A 150 10.849 40.304 -4.319 1.00 22.44 N ATOM 1190 CA THR A 150 9.680 39.523 -3.977 1.00 21.80 C ATOM 1191 C THR A 150 9.916 38.010 -4.041 1.00 26.95 C ATOM 1192 O THR A 150 9.435 37.328 -3.136 1.00 36.51 O ATOM 1193 CB THR A 150 8.522 39.958 -4.913 1.00 17.97 C ATOM 1194 OG1 THR A 150 8.483 41.392 -4.903 1.00 41.01 O ATOM 1195 CG2 THR A 150 7.172 39.403 -4.502 1.00 23.77 C ATOM 0 H THR A 150 10.699 40.908 -4.912 1.00 22.44 H new ATOM 0 HA THR A 150 9.454 39.699 -3.050 1.00 21.80 H new ATOM 0 HB THR A 150 8.694 39.603 -5.799 1.00 17.97 H new ATOM 0 HG1 THR A 150 7.864 41.659 -5.404 1.00 41.01 H new ATOM 0 HG21 THR A 150 6.493 39.709 -5.123 1.00 23.77 H new ATOM 0 HG22 THR A 150 7.204 38.434 -4.511 1.00 23.77 H new ATOM 0 HG23 THR A 150 6.954 39.710 -3.608 1.00 23.77 H new ATOM 1196 N MET A 151 10.662 37.414 -5.003 1.00 31.07 N ATOM 1197 CA MET A 151 10.772 35.956 -5.092 1.00 28.65 C ATOM 1198 C MET A 151 11.726 35.421 -4.041 1.00 27.23 C ATOM 1199 O MET A 151 11.522 34.324 -3.527 1.00 25.26 O ATOM 1200 CB MET A 151 11.232 35.431 -6.450 1.00 30.71 C ATOM 1201 CG MET A 151 10.109 35.308 -7.455 1.00 41.74 C ATOM 1202 SD MET A 151 10.565 34.571 -9.049 1.00 35.13 S ATOM 1203 CE MET A 151 10.693 36.008 -10.060 1.00 60.40 C ATOM 0 H MET A 151 11.104 37.842 -5.604 1.00 31.07 H new ATOM 0 HA MET A 151 9.866 35.640 -4.948 1.00 28.65 H new ATOM 0 HB2 MET A 151 11.912 36.024 -6.805 1.00 30.71 H new ATOM 0 HB3 MET A 151 11.647 34.563 -6.330 1.00 30.71 H new ATOM 0 HG2 MET A 151 9.400 34.776 -7.061 1.00 41.74 H new ATOM 0 HG3 MET A 151 9.743 36.192 -7.618 1.00 41.74 H new ATOM 0 HE1 MET A 151 10.466 35.781 -10.975 1.00 60.40 H new ATOM 0 HE2 MET A 151 10.083 36.688 -9.735 1.00 60.40 H new ATOM 0 HE3 MET A 151 11.601 36.347 -10.027 1.00 60.40 H new ATOM 1204 N VAL A 152 12.774 36.201 -3.740 1.00 23.68 N ATOM 1205 CA VAL A 152 13.811 35.829 -2.789 1.00 26.90 C ATOM 1206 C VAL A 152 13.269 35.924 -1.359 1.00 29.19 C ATOM 1207 O VAL A 152 13.428 35.019 -0.535 1.00 26.71 O ATOM 1208 CB VAL A 152 15.019 36.729 -3.044 1.00 19.45 C ATOM 1209 CG1 VAL A 152 16.122 36.475 -2.065 1.00 36.74 C ATOM 1210 CG2 VAL A 152 15.609 36.365 -4.398 1.00 37.53 C ATOM 0 H VAL A 152 12.897 36.975 -4.094 1.00 23.68 H new ATOM 0 HA VAL A 152 14.091 34.907 -2.904 1.00 26.90 H new ATOM 0 HB VAL A 152 14.712 37.647 -2.981 1.00 19.45 H new ATOM 0 HG11 VAL A 152 16.869 37.063 -2.259 1.00 36.74 H new ATOM 0 HG12 VAL A 152 15.802 36.645 -1.165 1.00 36.74 H new ATOM 0 HG13 VAL A 152 16.411 35.552 -2.136 1.00 36.74 H new ATOM 0 HG21 VAL A 152 16.379 36.927 -4.578 1.00 37.53 H new ATOM 0 HG22 VAL A 152 15.883 35.435 -4.392 1.00 37.53 H new ATOM 0 HG23 VAL A 152 14.942 36.501 -5.089 1.00 37.53 H new ATOM 1211 N ASP A 153 12.556 37.011 -1.072 1.00 25.87 N ATOM 1212 CA ASP A 153 11.850 37.205 0.175 1.00 21.34 C ATOM 1213 C ASP A 153 10.941 36.067 0.583 1.00 25.69 C ATOM 1214 O ASP A 153 10.956 35.628 1.732 1.00 33.57 O ATOM 1215 CB ASP A 153 11.048 38.496 0.114 1.00 10.31 C ATOM 1216 CG ASP A 153 11.819 39.795 0.345 1.00 19.45 C ATOM 1217 OD1 ASP A 153 13.050 39.801 0.405 1.00 13.63 O ATOM 1218 OD2 ASP A 153 11.163 40.828 0.451 1.00 21.48 O ATOM 0 H ASP A 153 12.472 37.670 -1.618 1.00 25.87 H new ATOM 0 HA ASP A 153 12.539 37.246 0.856 1.00 21.34 H new ATOM 0 HB2 ASP A 153 10.622 38.547 -0.756 1.00 10.31 H new ATOM 0 HB3 ASP A 153 10.339 38.443 0.774 1.00 10.31 H new ATOM 1219 N GLU A 154 10.149 35.566 -0.347 1.00 30.33 N ATOM 1220 CA GLU A 154 9.297 34.409 -0.095 1.00 33.68 C ATOM 1221 C GLU A 154 10.101 33.152 0.230 1.00 32.40 C ATOM 1222 O GLU A 154 9.652 32.307 1.005 1.00 33.81 O ATOM 1223 CB GLU A 154 8.411 34.160 -1.324 1.00 29.80 C ATOM 1224 CG GLU A 154 6.967 33.787 -1.002 1.00 57.73 C ATOM 1225 CD GLU A 154 6.170 34.860 -0.250 1.00 70.61 C ATOM 1226 OE1 GLU A 154 6.374 36.063 -0.460 1.00 61.85 O ATOM 1227 OE2 GLU A 154 5.329 34.475 0.564 1.00 89.36 O ATOM 0 H GLU A 154 10.087 35.884 -1.144 1.00 30.33 H new ATOM 0 HA GLU A 154 8.751 34.606 0.683 1.00 33.68 H new ATOM 0 HB2 GLU A 154 8.411 34.958 -1.875 1.00 29.80 H new ATOM 0 HB3 GLU A 154 8.806 33.450 -1.854 1.00 29.80 H new ATOM 0 HG2 GLU A 154 6.507 33.585 -1.832 1.00 57.73 H new ATOM 0 HG3 GLU A 154 6.968 32.974 -0.473 1.00 57.73 H new ATOM 1228 N LEU A 155 11.304 33.049 -0.348 1.00 30.21 N ATOM 1229 CA LEU A 155 12.156 31.886 -0.196 1.00 28.94 C ATOM 1230 C LEU A 155 12.663 31.824 1.233 1.00 26.64 C ATOM 1231 O LEU A 155 12.552 30.803 1.902 1.00 22.36 O ATOM 1232 CB LEU A 155 13.306 31.952 -1.220 1.00 17.81 C ATOM 1233 CG LEU A 155 14.501 31.035 -1.020 1.00 19.07 C ATOM 1234 CD1 LEU A 155 14.067 29.580 -1.046 1.00 18.02 C ATOM 1235 CD2 LEU A 155 15.614 31.366 -1.992 1.00 26.56 C ATOM 0 H LEU A 155 11.643 33.665 -0.843 1.00 30.21 H new ATOM 0 HA LEU A 155 11.658 31.072 -0.370 1.00 28.94 H new ATOM 0 HB2 LEU A 155 12.933 31.766 -2.096 1.00 17.81 H new ATOM 0 HB3 LEU A 155 13.633 32.865 -1.239 1.00 17.81 H new ATOM 0 HG LEU A 155 14.877 31.187 -0.139 1.00 19.07 H new ATOM 0 HD11 LEU A 155 14.841 29.009 -0.917 1.00 18.02 H new ATOM 0 HD12 LEU A 155 13.426 29.421 -0.336 1.00 18.02 H new ATOM 0 HD13 LEU A 155 13.657 29.380 -1.902 1.00 18.02 H new ATOM 0 HD21 LEU A 155 16.363 30.767 -1.843 1.00 26.56 H new ATOM 0 HD22 LEU A 155 15.292 31.261 -2.901 1.00 26.56 H new ATOM 0 HD23 LEU A 155 15.901 32.282 -1.855 1.00 26.56 H new ATOM 1236 N PHE A 156 13.209 32.941 1.694 1.00 26.03 N ATOM 1237 CA PHE A 156 13.702 33.053 3.037 1.00 29.20 C ATOM 1238 C PHE A 156 12.574 33.019 4.065 1.00 33.79 C ATOM 1239 O PHE A 156 12.701 32.324 5.079 1.00 36.18 O ATOM 1240 CB PHE A 156 14.608 34.252 3.142 1.00 16.45 C ATOM 1241 CG PHE A 156 15.920 33.970 2.432 1.00 17.90 C ATOM 1242 CD1 PHE A 156 16.887 33.220 3.051 1.00 17.12 C ATOM 1243 CD2 PHE A 156 16.171 34.507 1.190 1.00 31.77 C ATOM 1244 CE1 PHE A 156 18.113 33.063 2.447 1.00 30.77 C ATOM 1245 CE2 PHE A 156 17.396 34.339 0.586 1.00 25.71 C ATOM 1246 CZ PHE A 156 18.374 33.631 1.224 1.00 29.51 C ATOM 0 H PHE A 156 13.300 33.656 1.225 1.00 26.03 H new ATOM 0 HA PHE A 156 14.240 32.275 3.253 1.00 29.20 H new ATOM 0 HB2 PHE A 156 14.178 35.028 2.749 1.00 16.45 H new ATOM 0 HB3 PHE A 156 14.774 34.462 4.074 1.00 16.45 H new ATOM 0 HD1 PHE A 156 16.715 32.820 3.873 1.00 17.12 H new ATOM 0 HD2 PHE A 156 15.505 34.989 0.754 1.00 31.77 H new ATOM 0 HE1 PHE A 156 18.774 32.566 2.872 1.00 30.77 H new ATOM 0 HE2 PHE A 156 17.557 34.706 -0.253 1.00 25.71 H new ATOM 0 HZ PHE A 156 19.212 33.534 0.833 1.00 29.51 H new ATOM 1247 N ALA A 157 11.421 33.653 3.833 1.00 31.04 N ATOM 1248 CA ALA A 157 10.289 33.504 4.738 1.00 30.94 C ATOM 1249 C ALA A 157 9.784 32.076 4.852 1.00 28.65 C ATOM 1250 O ALA A 157 9.372 31.630 5.918 1.00 36.36 O ATOM 1251 CB ALA A 157 9.136 34.373 4.309 1.00 34.81 C ATOM 0 H ALA A 157 11.279 34.170 3.160 1.00 31.04 H new ATOM 0 HA ALA A 157 10.624 33.777 5.606 1.00 30.94 H new ATOM 0 HB1 ALA A 157 8.396 34.257 4.925 1.00 34.81 H new ATOM 0 HB2 ALA A 157 9.413 35.302 4.309 1.00 34.81 H new ATOM 0 HB3 ALA A 157 8.855 34.120 3.416 1.00 34.81 H new ATOM 1252 N GLU A 158 9.831 31.303 3.788 1.00 30.26 N ATOM 1253 CA GLU A 158 9.432 29.911 3.839 1.00 31.52 C ATOM 1254 C GLU A 158 10.487 29.023 4.473 1.00 32.26 C ATOM 1255 O GLU A 158 10.128 27.965 4.987 1.00 33.31 O ATOM 1256 CB GLU A 158 9.100 29.449 2.425 1.00 34.01 C ATOM 1257 CG GLU A 158 8.579 28.031 2.262 1.00 33.04 C ATOM 1258 CD GLU A 158 7.259 27.713 2.942 1.00 44.41 C ATOM 1259 OE1 GLU A 158 6.409 28.595 3.055 1.00 36.62 O ATOM 1260 OE2 GLU A 158 7.079 26.564 3.345 1.00 49.31 O ATOM 0 H GLU A 158 10.095 31.568 3.014 1.00 30.26 H new ATOM 0 HA GLU A 158 8.649 29.836 4.406 1.00 31.52 H new ATOM 0 HB2 GLU A 158 8.439 30.056 2.058 1.00 34.01 H new ATOM 0 HB3 GLU A 158 9.900 29.540 1.884 1.00 34.01 H new ATOM 0 HG2 GLU A 158 8.484 27.849 1.314 1.00 33.04 H new ATOM 0 HG3 GLU A 158 9.251 27.420 2.602 1.00 33.04 H new ATOM 1261 N ILE A 159 11.782 29.360 4.475 1.00 32.84 N ATOM 1262 CA ILE A 159 12.724 28.588 5.260 1.00 31.87 C ATOM 1263 C ILE A 159 12.454 28.811 6.756 1.00 34.53 C ATOM 1264 O ILE A 159 12.451 27.835 7.499 1.00 30.70 O ATOM 1265 CB ILE A 159 14.220 28.741 4.845 1.00 22.75 C ATOM 1266 CG1 ILE A 159 15.053 27.646 5.488 1.00 9.57 C ATOM 1267 CG2 ILE A 159 14.865 30.081 5.187 1.00 7.70 C ATOM 1268 CD1 ILE A 159 14.801 26.221 4.991 1.00 12.45 C ATOM 0 H ILE A 159 12.121 30.018 4.037 1.00 32.84 H new ATOM 0 HA ILE A 159 12.564 27.653 5.060 1.00 31.87 H new ATOM 0 HB ILE A 159 14.207 28.678 3.877 1.00 22.75 H new ATOM 0 HG12 ILE A 159 15.990 27.855 5.349 1.00 9.57 H new ATOM 0 HG13 ILE A 159 14.896 27.667 6.445 1.00 9.57 H new ATOM 0 HG21 ILE A 159 15.789 30.080 4.892 1.00 7.70 H new ATOM 0 HG22 ILE A 159 14.384 30.795 4.741 1.00 7.70 H new ATOM 0 HG23 ILE A 159 14.833 30.220 6.146 1.00 7.70 H new ATOM 0 HD11 ILE A 159 15.382 25.605 5.465 1.00 12.45 H new ATOM 0 HD12 ILE A 159 13.875 25.981 5.153 1.00 12.45 H new ATOM 0 HD13 ILE A 159 14.986 26.172 4.040 1.00 12.45 H new ATOM 1269 N VAL A 160 12.158 30.025 7.244 1.00 35.34 N ATOM 1270 CA VAL A 160 11.792 30.255 8.634 1.00 38.36 C ATOM 1271 C VAL A 160 10.497 29.544 9.018 1.00 45.33 C ATOM 1272 O VAL A 160 10.456 28.911 10.074 1.00 47.93 O ATOM 1273 CB VAL A 160 11.743 31.745 8.936 1.00 35.94 C ATOM 1274 CG1 VAL A 160 11.241 32.057 10.341 1.00 34.84 C ATOM 1275 CG2 VAL A 160 13.147 32.271 8.767 1.00 27.48 C ATOM 0 H VAL A 160 12.167 30.740 6.766 1.00 35.34 H new ATOM 0 HA VAL A 160 12.484 29.864 9.189 1.00 38.36 H new ATOM 0 HB VAL A 160 11.115 32.168 8.330 1.00 35.94 H new ATOM 0 HG11 VAL A 160 11.231 33.018 10.476 1.00 34.84 H new ATOM 0 HG12 VAL A 160 10.343 31.707 10.449 1.00 34.84 H new ATOM 0 HG13 VAL A 160 11.829 31.645 10.994 1.00 34.84 H new ATOM 0 HG21 VAL A 160 13.160 33.223 8.951 1.00 27.48 H new ATOM 0 HG22 VAL A 160 13.740 31.814 9.384 1.00 27.48 H new ATOM 0 HG23 VAL A 160 13.444 32.114 7.857 1.00 27.48 H new ATOM 1276 N ARG A 161 9.435 29.582 8.202 1.00 46.62 N ATOM 1277 CA ARG A 161 8.268 28.733 8.421 1.00 44.26 C ATOM 1278 C ARG A 161 8.645 27.266 8.487 1.00 45.89 C ATOM 1279 O ARG A 161 8.174 26.589 9.391 1.00 52.49 O ATOM 1280 CB ARG A 161 7.181 28.915 7.365 1.00 45.97 C ATOM 1281 CG ARG A 161 6.454 30.246 7.502 1.00 61.55 C ATOM 1282 CD ARG A 161 5.216 30.373 6.619 1.00 60.85 C ATOM 1283 NE ARG A 161 5.524 30.413 5.194 1.00 67.98 N ATOM 1284 CZ ARG A 161 5.659 31.551 4.488 1.00 68.21 C ATOM 1285 NH1 ARG A 161 5.539 32.749 5.066 1.00 53.77 N ATOM 1286 NH2 ARG A 161 5.911 31.496 3.172 1.00 73.76 N ATOM 0 H ARG A 161 9.376 30.096 7.515 1.00 46.62 H new ATOM 0 HA ARG A 161 7.908 29.018 9.275 1.00 44.26 H new ATOM 0 HB2 ARG A 161 7.578 28.856 6.482 1.00 45.97 H new ATOM 0 HB3 ARG A 161 6.540 28.191 7.436 1.00 45.97 H new ATOM 0 HG2 ARG A 161 6.193 30.367 8.428 1.00 61.55 H new ATOM 0 HG3 ARG A 161 7.069 30.964 7.285 1.00 61.55 H new ATOM 0 HD2 ARG A 161 4.624 29.625 6.794 1.00 60.85 H new ATOM 0 HD3 ARG A 161 4.735 31.179 6.862 1.00 60.85 H new ATOM 0 HE ARG A 161 5.625 29.666 4.781 1.00 67.98 H new ATOM 0 HH11 ARG A 161 5.372 32.806 5.908 1.00 53.77 H new ATOM 0 HH12 ARG A 161 5.629 33.464 4.597 1.00 53.77 H new ATOM 0 HH21 ARG A 161 5.986 30.734 2.780 1.00 73.76 H new ATOM 0 HH22 ARG A 161 5.997 32.223 2.720 1.00 73.76 H new ATOM 1287 N GLN A 162 9.506 26.730 7.616 1.00 51.59 N ATOM 1288 CA GLN A 162 9.991 25.350 7.731 1.00 54.35 C ATOM 1289 C GLN A 162 10.762 25.033 9.009 1.00 55.23 C ATOM 1290 O GLN A 162 10.624 23.938 9.536 1.00 54.87 O ATOM 1291 CB GLN A 162 10.869 24.933 6.547 1.00 44.04 C ATOM 1292 CG GLN A 162 10.111 24.735 5.253 1.00 48.00 C ATOM 1293 CD GLN A 162 9.083 23.618 5.302 1.00 51.36 C ATOM 1294 OE1 GLN A 162 9.394 22.438 5.446 1.00 57.05 O ATOM 1295 NE2 GLN A 162 7.812 23.964 5.165 1.00 49.67 N ATOM 0 H GLN A 162 9.825 27.157 6.941 1.00 51.59 H new ATOM 0 HA GLN A 162 9.165 24.841 7.746 1.00 54.35 H new ATOM 0 HB2 GLN A 162 11.552 25.608 6.410 1.00 44.04 H new ATOM 0 HB3 GLN A 162 11.327 24.108 6.772 1.00 44.04 H new ATOM 0 HG2 GLN A 162 9.663 25.564 5.021 1.00 48.00 H new ATOM 0 HG3 GLN A 162 10.745 24.547 4.543 1.00 48.00 H new ATOM 0 HE21 GLN A 162 7.600 24.791 5.065 1.00 49.67 H new ATOM 0 HE22 GLN A 162 7.199 23.361 5.177 1.00 49.67 H new ATOM 1296 N MET A 163 11.580 25.942 9.547 1.00 57.26 N ATOM 1297 CA MET A 163 12.288 25.714 10.801 1.00 58.11 C ATOM 1298 C MET A 163 11.385 25.857 12.025 1.00 63.67 C ATOM 1299 O MET A 163 11.751 25.448 13.126 1.00 67.03 O ATOM 1300 CB MET A 163 13.493 26.640 10.901 1.00 49.25 C ATOM 1301 CG MET A 163 14.606 26.283 9.933 1.00 32.91 C ATOM 1302 SD MET A 163 15.928 27.502 9.977 1.00 42.66 S ATOM 1303 CE MET A 163 15.103 28.902 9.298 1.00 24.53 C ATOM 0 H MET A 163 11.737 26.709 9.191 1.00 57.26 H new ATOM 0 HA MET A 163 12.594 24.794 10.794 1.00 58.11 H new ATOM 0 HB2 MET A 163 13.207 27.552 10.734 1.00 49.25 H new ATOM 0 HB3 MET A 163 13.839 26.613 11.807 1.00 49.25 H new ATOM 0 HG2 MET A 163 14.962 25.409 10.155 1.00 32.91 H new ATOM 0 HG3 MET A 163 14.248 26.223 9.033 1.00 32.91 H new ATOM 0 HE1 MET A 163 15.757 29.571 9.042 1.00 24.53 H new ATOM 0 HE2 MET A 163 14.595 28.631 8.517 1.00 24.53 H new ATOM 0 HE3 MET A 163 14.501 29.276 9.961 1.00 24.53 H new ATOM 1304 N ASN A 164 10.201 26.456 11.867 1.00 67.40 N ATOM 1305 CA ASN A 164 9.210 26.507 12.927 1.00 69.98 C ATOM 1306 C ASN A 164 8.274 25.315 12.963 1.00 74.27 C ATOM 1307 O ASN A 164 7.617 25.136 13.986 1.00 77.57 O ATOM 1308 CB ASN A 164 8.362 27.777 12.862 1.00 69.82 C ATOM 1309 CG ASN A 164 9.053 29.005 13.420 1.00 77.82 C ATOM 1310 OD1 ASN A 164 10.045 28.905 14.136 1.00 70.94 O ATOM 1311 ND2 ASN A 164 8.580 30.210 13.123 1.00 82.31 N ATOM 0 H ASN A 164 9.956 26.843 11.139 1.00 67.40 H new ATOM 0 HA ASN A 164 9.741 26.497 13.739 1.00 69.98 H new ATOM 0 HB2 ASN A 164 8.118 27.946 11.938 1.00 69.82 H new ATOM 0 HB3 ASN A 164 7.537 27.630 13.351 1.00 69.82 H new ATOM 0 HD21 ASN A 164 8.968 30.912 13.432 1.00 82.31 H new ATOM 0 HD22 ASN A 164 7.885 30.288 12.622 1.00 82.31 H new ATOM 1312 N TYR A 165 7.990 24.524 11.825 1.00 77.73 N ATOM 1313 CA TYR A 165 7.176 23.302 11.938 1.00 82.91 C ATOM 1314 C TYR A 165 8.033 22.074 11.626 1.00 85.90 C ATOM 1315 O TYR A 165 7.701 21.273 10.742 1.00 88.74 O ATOM 1316 CB TYR A 165 6.001 23.350 10.948 1.00 81.63 C ATOM 1317 CG TYR A 165 5.489 24.770 10.698 1.00 92.10 C ATOM 1318 CD1 TYR A 165 5.040 25.549 11.770 1.00 97.16 C ATOM 1319 CD2 TYR A 165 5.468 25.290 9.397 1.00 95.18 C ATOM 1320 CE1 TYR A 165 4.589 26.855 11.545 1.00 94.85 C ATOM 1321 CE2 TYR A 165 5.013 26.595 9.172 1.00 97.85 C ATOM 1322 CZ TYR A 165 4.580 27.380 10.247 1.00 92.04 C ATOM 1323 OH TYR A 165 4.161 28.655 10.033 1.00 84.31 O ATOM 0 H TYR A 165 8.265 24.702 11.030 1.00 77.73 H new ATOM 0 HA TYR A 165 6.834 23.245 12.844 1.00 82.91 H new ATOM 0 HB2 TYR A 165 6.278 22.958 10.105 1.00 81.63 H new ATOM 0 HB3 TYR A 165 5.275 22.805 11.289 1.00 81.63 H new ATOM 0 HD1 TYR A 165 5.041 25.199 12.632 1.00 97.16 H new ATOM 0 HD2 TYR A 165 5.756 24.768 8.683 1.00 95.18 H new ATOM 0 HE1 TYR A 165 4.295 27.374 12.258 1.00 94.85 H new ATOM 0 HE2 TYR A 165 4.998 26.940 8.309 1.00 97.85 H new ATOM 0 HH TYR A 165 4.210 28.833 9.213 1.00 84.31 H new ATOM 1324 N ALA A 166 9.196 21.964 12.328 1.00 86.51 N ATOM 1325 CA ALA A 166 10.185 20.924 12.058 1.00 89.42 C ATOM 1326 C ALA A 166 10.058 19.818 13.101 1.00 92.03 C ATOM 1327 O ALA A 166 10.349 18.666 12.766 1.00 93.05 O ATOM 1328 CB ALA A 166 11.601 21.497 12.170 1.00 86.05 C ATOM 1329 OXT ALA A 166 9.643 20.112 14.235 1.00 93.31 O ATOM 0 H ALA A 166 9.415 22.496 12.967 1.00 86.51 H new ATOM 0 HA ALA A 166 10.029 20.581 11.164 1.00 89.42 H new ATOM 0 HB1 ALA A 166 12.248 20.798 11.989 1.00 86.05 H new ATOM 0 HB2 ALA A 166 11.712 22.214 11.527 1.00 86.05 H new ATOM 0 HB3 ALA A 166 11.741 21.842 13.066 1.00 86.05 H new TER 1330 ALA A 166 HETATM 1331 MG MG A 181 28.882 32.876 -3.998 1.00 30.09 MG HETATM 1332 PG GTP A 180 29.710 30.132 -5.989 1.00 52.48 P HETATM 1333 O1G GTP A 180 29.197 28.937 -5.265 1.00 43.51 O HETATM 1334 O2G GTP A 180 30.881 29.816 -6.827 1.00 63.11 O HETATM 1335 O3G GTP A 180 30.013 31.278 -5.117 1.00 29.97 O HETATM 1336 O3B GTP A 180 28.517 30.631 -6.995 1.00 23.23 O HETATM 1337 PB GTP A 180 27.017 31.171 -6.766 1.00 29.58 P HETATM 1338 O1B GTP A 180 26.072 30.050 -6.958 1.00 17.62 O HETATM 1339 O2B GTP A 180 26.960 31.913 -5.483 1.00 38.76 O HETATM 1340 O3A GTP A 180 26.807 32.212 -7.961 1.00 13.12 O HETATM 1341 PA GTP A 180 26.277 33.726 -8.045 1.00 25.06 P HETATM 1342 O1A GTP A 180 25.089 33.867 -7.187 1.00 44.06 O HETATM 1343 O2A GTP A 180 27.427 34.635 -7.843 1.00 23.47 O HETATM 1344 O5' GTP A 180 25.804 33.834 -9.555 1.00 42.05 O HETATM 1345 C5' GTP A 180 26.615 33.475 -10.679 1.00 19.97 C HETATM 1346 C4' GTP A 180 26.219 34.288 -11.894 1.00 14.90 C HETATM 1347 O4' GTP A 180 24.826 34.017 -12.143 1.00 19.00 O HETATM 1348 C3' GTP A 180 26.372 35.802 -11.724 1.00 4.96 C HETATM 1349 O3' GTP A 180 26.880 36.347 -12.936 1.00 44.49 O HETATM 1350 C2' GTP A 180 24.932 36.243 -11.481 1.00 17.12 C HETATM 1351 O2' GTP A 180 24.719 37.581 -11.901 1.00 32.45 O HETATM 1352 C1' GTP A 180 24.069 35.240 -12.240 1.00 16.17 C HETATM 1353 N9 GTP A 180 22.724 35.005 -11.630 1.00 28.10 N HETATM 1354 C8 GTP A 180 22.443 34.655 -10.325 1.00 27.05 C HETATM 1355 N7 GTP A 180 21.168 34.483 -10.079 1.00 33.25 N HETATM 1356 C5 GTP A 180 20.554 34.737 -11.307 1.00 26.23 C HETATM 1357 C6 GTP A 180 19.183 34.712 -11.659 1.00 29.31 C HETATM 1358 O6 GTP A 180 18.205 34.448 -10.957 1.00 40.80 O HETATM 1359 N1 GTP A 180 19.000 35.036 -13.013 1.00 26.85 N HETATM 1360 C2 GTP A 180 20.022 35.339 -13.903 1.00 28.70 C HETATM 1361 N2 GTP A 180 19.627 35.619 -15.147 1.00 44.24 N HETATM 1362 N3 GTP A 180 21.301 35.367 -13.569 1.00 21.67 N HETATM 1363 C4 GTP A 180 21.489 35.054 -12.257 1.00 41.91 C HETATM 0 HO3' GTP A 180 26.664 37.157 -12.992 1.00 44.49 H new HETATM 0 HO2' GTP A 180 24.582 38.067 -11.230 1.00 32.45 H new HETATM 0 HN22 GTP A 180 20.209 35.815 -15.749 1.00 44.24 H new HETATM 0 HN21 GTP A 180 18.791 35.603 -15.346 1.00 44.24 H new HETATM 0 H5'' GTP A 180 27.551 33.626 -10.472 1.00 19.97 H new HETATM 0 HN1 GTP A 180 18.194 35.048 -13.314 1.00 26.85 H new HETATM 0 H8 GTP A 180 23.130 34.546 -9.649 1.00 27.05 H new HETATM 0 H5' GTP A 180 26.515 32.529 -10.869 1.00 19.97 H new HETATM 0 H4' GTP A 180 26.811 34.030 -12.618 1.00 14.90 H new HETATM 0 H3' GTP A 180 26.976 36.080 -11.018 1.00 4.96 H new HETATM 0 H2' GTP A 180 24.706 36.246 -10.538 1.00 17.12 H new HETATM 0 H1' GTP A 180 23.892 35.561 -13.138 1.00 16.17 H new HETATM 1364 O HOH A 223 28.334 31.447 -3.125 1.00 17.49 O HETATM 1365 O HOH A 224 29.277 33.714 -5.442 1.00 38.82 O HETATM 1366 O HOH A 225 27.709 24.160 -1.742 1.00 44.69 O HETATM 1367 O HOH A 226 23.924 28.243 -14.513 1.00 29.01 O HETATM 1368 O HOH A 227 22.269 39.581 -5.675 1.00 33.22 O HETATM 1369 O HOH A 228 23.733 22.857 -7.198 1.00 27.05 O HETATM 1370 O HOH A 229 13.883 43.404 -7.128 1.00 55.42 O HETATM 1371 O HOH A 230 18.245 31.238 19.198 1.00 31.46 O HETATM 1372 O HOH A 231 28.515 36.283 -1.096 1.00 41.84 O HETATM 1373 O HOH A 232 32.209 27.253 1.803 1.00 28.10 O HETATM 1374 O HOH A 233 16.631 13.597 -13.684 1.00 67.63 O HETATM 1375 O HOH A 234 25.748 26.355 -12.772 1.00 44.32 O HETATM 1376 O HOH A 235 22.819 34.083 -20.075 1.00 44.71 O CONECT 122 1331 CONECT 264 1331 CONECT 1331 122 264 1335 1339 CONECT 1331 1364 1365 CONECT 1332 1333 1334 1335 1336 CONECT 1333 1332 CONECT 1334 1332 CONECT 1335 1331 1332 CONECT 1336 1332 1337 CONECT 1337 1336 1338 1339 1340 CONECT 1338 1337 CONECT 1339 1331 1337 CONECT 1340 1337 1341 CONECT 1341 1340 1342 1343 1344 CONECT 1342 1341 CONECT 1343 1341 CONECT 1344 1341 1345 CONECT 1345 1344 1346 CONECT 1346 1345 1347 1348 CONECT 1347 1346 1352 CONECT 1348 1346 1349 1350 CONECT 1349 1348 CONECT 1350 1348 1351 1352 CONECT 1351 1350 CONECT 1352 1347 1350 1353 CONECT 1353 1352 1354 1363 CONECT 1354 1353 1355 CONECT 1355 1354 1356 CONECT 1356 1355 1357 1363 CONECT 1357 1356 1358 1359 CONECT 1358 1357 CONECT 1359 1357 1360 CONECT 1360 1359 1361 1362 CONECT 1361 1360 CONECT 1362 1360 1363 CONECT 1363 1353 1356 1362 CONECT 1364 1331 CONECT 1365 1331 END