USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 17-SEP-07 2RAY TITLE BETA-CHLOROPHENETOLE IN COMPLEX WITH T4 LYSOZYME L99A COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: X; COMPND 4 SYNONYM: LYSIS PROTEIN; MURAMIDASE; ENDOLYSIN; COMPND 5 EC: 3.2.1.17; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; SOURCE 3 ORGANISM_TAXID: 10665; SOURCE 4 GENE: E; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: M13 KEYWDS PROTEIN CAVITIES, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR A.P.GRAVES,S.E.BOYCE,B.K.SHOICHET REVDAT 3 24-FEB-09 2RAY 1 VERSN REVDAT 2 22-APR-08 2RAY 1 JRNL REVDAT 1 18-MAR-08 2RAY 0 JRNL AUTH A.P.GRAVES,D.M.SHIVAKUMAR,S.E.BOYCE,M.P.JACOBSON, JRNL AUTH 2 D.A.CASE,B.K.SHOICHET JRNL TITL RESCORING DOCKING HIT LISTS FOR MODEL CAVITY JRNL TITL 2 SITES: PREDICTIONS AND EXPERIMENTAL TESTING. JRNL REF J.MOL.BIOL. V. 377 914 2008 JRNL REFN ISSN 0022-2836 JRNL PMID 18280498 JRNL DOI 10.1016/J.JMB.2008.01.049 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 52.34 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 3 NUMBER OF REFLECTIONS : 19408 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.188 REMARK 3 R VALUE (WORKING SET) : 0.187 REMARK 3 FREE R VALUE : 0.212 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 994 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.84 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1314 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.93 REMARK 3 BIN R VALUE (WORKING SET) : 0.2780 REMARK 3 BIN FREE R VALUE SET COUNT : 75 REMARK 3 BIN FREE R VALUE : 0.3020 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1285 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 15 REMARK 3 SOLVENT ATOMS : 213 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 20.55 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.12000 REMARK 3 B22 (A**2) : 0.12000 REMARK 3 B33 (A**2) : -0.19000 REMARK 3 B12 (A**2) : 0.06000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.119 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.111 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.075 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.374 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.954 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.942 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1309 ; 0.014 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1766 ; 1.249 ; 1.959 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 163 ; 5.250 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 60 ;32.478 ;23.833 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 233 ;13.223 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;16.870 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 196 ; 0.088 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 977 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 649 ; 0.197 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 908 ; 0.303 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 163 ; 0.152 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 32 ; 0.183 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 30 ; 0.207 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 830 ; 0.786 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1285 ; 1.236 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 555 ; 2.173 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 480 ; 3.190 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2RAY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-OCT-07. REMARK 100 THE RCSB ID CODE IS RCSB044640. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 26-NOV-06 REMARK 200 TEMPERATURE (KELVIN) : 110 REMARK 200 PH : 7.1 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL REMARK 200 DATA SCALING SOFTWARE : HKL-3000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19434 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.798 REMARK 200 RESOLUTION RANGE LOW (A) : 52.340 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.84 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.9 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: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: REFMAC 5.2 REMARK 200 STARTING MODEL: 184L REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.41 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2.2M SODIUM-POTASSIUM PHOSPHATE, REMARK 280 0.05M BETA-MERCAPTOETHANOL, 0.05M 2-HYDROXYETHYLDISULFIDE, PH REMARK 280 7.1, HANGING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 64.00267 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 32.00133 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 32.00133 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 64.00267 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: X REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS X 16 CD CE NZ REMARK 470 ARG X 80 CZ NH1 NH2 REMARK 470 LYS X 83 CE NZ REMARK 470 LYS X 147 NZ REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 ARG X 76 CG CD NE CZ NH1 NH2 REMARK 480 LYS X 162 CB CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH X 2094 O HOH X 2180 5555 2.12 REMARK 500 O GLY X 113 O HOH X 2140 2654 2.17 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 ILE X 29 73.53 -101.46 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 X 1001 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 258 X 2001 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 181L RELATED DB: PDB REMARK 900 RELATED ID: 1LGU RELATED DB: PDB REMARK 900 RELATED ID: 2RAZ RELATED DB: PDB REMARK 900 RELATED ID: 2RB0 RELATED DB: PDB REMARK 900 RELATED ID: 2RB1 RELATED DB: PDB REMARK 900 RELATED ID: 2RB2 RELATED DB: PDB REMARK 900 RELATED ID: 2RBN RELATED DB: PDB REMARK 900 RELATED ID: 2RBO RELATED DB: PDB REMARK 900 RELATED ID: 2RBP RELATED DB: PDB REMARK 900 RELATED ID: 2RBQ RELATED DB: PDB REMARK 900 RELATED ID: 2RBR RELATED DB: PDB REMARK 900 RELATED ID: 2RAS RELATED DB: PDB DBREF 2RAY X 1 162 UNP P00720 LYS_BPT4 1 162 SEQADV 2RAY THR X 54 UNP P00720 CYS 54 ENGINEERED SEQADV 2RAY ALA X 97 UNP P00720 CYS 97 ENGINEERED SEQADV 2RAY ALA X 99 UNP P00720 LEU 99 ENGINEERED SEQRES 1 X 162 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU SEQRES 2 X 162 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR SEQRES 3 X 162 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU SEQRES 4 X 162 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG SEQRES 5 X 162 ASN THR ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS SEQRES 6 X 162 LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE SEQRES 7 X 162 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU SEQRES 8 X 162 ASP ALA VAL ARG ARG ALA ALA ALA ILE ASN MET VAL PHE SEQRES 9 X 162 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER SEQRES 10 X 162 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA SEQRES 11 X 162 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO SEQRES 12 X 162 ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY SEQRES 13 X 162 THR TRP ASP ALA TYR LYS HET PO4 X1001 5 HET 258 X2001 10 HETNAM PO4 PHOSPHATE ION HETNAM 258 (2-CHLOROETHOXY)BENZENE FORMUL 2 PO4 O4 P 3- FORMUL 3 258 C8 H9 CL O FORMUL 4 HOH *212(H2 O) HELIX 1 1 ASN X 2 GLY X 12 1 11 HELIX 2 2 SER X 38 GLY X 51 1 14 HELIX 3 3 THR X 59 ASN X 81 1 23 HELIX 4 4 LYS X 83 LEU X 91 1 9 HELIX 5 5 ASP X 92 GLY X 113 1 22 HELIX 6 6 PHE X 114 GLN X 123 1 10 HELIX 7 7 ARG X 125 ALA X 134 1 10 HELIX 8 8 SER X 136 THR X 142 1 7 HELIX 9 9 THR X 142 GLY X 156 1 15 HELIX 10 10 TRP X 158 LYS X 162 5 5 SHEET 1 A 3 ARG X 14 LYS X 19 0 SHEET 2 A 3 TYR X 25 GLY X 28 -1 O THR X 26 N TYR X 18 SHEET 3 A 3 HIS X 31 LEU X 32 -1 O HIS X 31 N ILE X 27 SITE *** AC1 9 ARG X 14 LYS X 19 ARG X 125 TRP X 126 SITE *** AC1 9 ASP X 127 GLU X 128 HOH X2046 HOH X2149 SITE *** AC1 9 HOH X2163 SITE *** AC2 8 TYR X 88 ALA X 99 MET X 102 SER X 117 SITE *** AC2 8 LEU X 118 LEU X 121 LEU X 133 PHE X 153 CRYST1 60.462 60.462 96.004 90.00 90.00 120.00 P 32 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.016539 0.009549 0.000000 0.00000 SCALE2 0.000000 0.019098 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010416 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: X 155 THR OG1 : rot -70:sc= 1.77 USER MOD Set 1.2: X 157 THR OG1 : rot -56:sc= 0.864 USER MOD Set 2.1: X 105 GLN : amide:sc= 1.29 K(o=2.1,f=-2.4!) USER MOD Set 2.2: X 142 THR OG1 : rot 65:sc= 0.821 USER MOD Set 3.1: X 117 SER OG : rot 55:sc= 1.24 USER MOD Set 3.2: X 132 ASN : amide:sc= 2.47 K(o=3.7,f=3) USER MOD Set 4.1: X 102 MET CE :methyl 180:sc= -0.0724 (180deg=-0.0573) USER MOD Set 4.2: X 106 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Set 4.3: X 106 MET CE B:methyl -145:sc= -0.0836 (180deg=-0.48) USER MOD Set 5.1: X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: X 55 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.61) USER MOD Set 6.1: X 6 MET CE :methyl 165:sc= -0.645 (180deg=-0.886) USER MOD Set 6.2: X 161 TYR OH : rot 144:sc= 1.39 USER MOD Single : X 1 MET CE :methyl 161:sc= -0.201 (180deg=-0.869) USER MOD Single : X 1 MET N :NH3+ 175:sc= 1.35 (180deg=1.3) USER MOD Single : X 2 ASN : amide:sc=-0.00218 K(o=-0.0022,f=-7.1!) USER MOD Single : X 18 TYR OH : rot 30:sc= 1.81 USER MOD Single : X 19 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.05) USER MOD Single : X 21 THR OG1 : rot 111:sc= 2.32 USER MOD Single : X 24 TYR OH : rot 180:sc= 0 USER MOD Single : X 25 TYR OH : rot -18:sc= 1.81 USER MOD Single : X 26 THR OG1 : rot 78:sc= 1.63 USER MOD Single : X 31 HIS : +bothHN:sc= 2.31 K(o=2.3,f=-8.2!) USER MOD Single : X 34 THR OG1 : rot 57:sc= 0.181 USER MOD Single : X 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 36 SER OG : rot 170:sc= 0.529 USER MOD Single : X 38 SER OG : rot 180:sc= 0.123 USER MOD Single : X 40 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.1!) USER MOD Single : X 44 SER OG : rot -79:sc= 0.386 USER MOD Single : X 48 LYS NZ :NH3+ -160:sc= 1.06 (180deg=0.773) USER MOD Single : X 53 ASN :FLIP amide:sc= 0.597 F(o=-3.4!,f=0.6) USER MOD Single : X 54 THR OG1 : rot -64:sc= 1.09 USER MOD Single : X 59 THR OG1 : rot -159:sc= 1.28 USER MOD Single : X 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 65 LYS NZ :NH3+ 151:sc= 0.314 (180deg=0.0858) USER MOD Single : X 68 ASN : amide:sc= -0.0855 X(o=-0.085,f=-0.49!) USER MOD Single : X 69 GLN :FLIP amide:sc= 0.824 F(o=-0.02,f=0.82) USER MOD Single : X 81 ASN : amide:sc= 0.27 K(o=0.27,f=-5.9!) USER MOD Single : X 85 LYS NZ :NH3+ -170:sc= 1.06 (180deg=0.927) USER MOD Single : X 88 TYR OH : rot 163:sc= 1.27 USER MOD Single : X 90 SER OG : rot -73:sc= 2.36 USER MOD Single : X 101 ASN : amide:sc= 2.14 K(o=2.1,f=-5.5!) USER MOD Single : X 109 THR OG1 : rot -73:sc= 0.345 USER MOD Single : X 115 THR OG1 : rot -60:sc= 1.57 USER MOD Single : X 116 ASN : amide:sc= 0.519 K(o=0.52,f=-6.2!) USER MOD Single : X 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 122 GLN : amide:sc= 0.0522 K(o=0.052,f=-0.54) USER MOD Single : X 123 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : X 124 LYS NZ :NH3+ -173:sc= 2.3 (180deg=2.15) USER MOD Single : X 135 LYS NZ :NH3+ -163:sc= 0.032 (180deg=0.00665) USER MOD Single : X 136 SER OG : rot -113:sc= 1.4 USER MOD Single : X 139 TYR OH : rot 180:sc= 1.19 USER MOD Single : X 140 ASN : amide:sc= 1.88 X(o=1.9,f=1.4) USER MOD Single : X 141 GLN : amide:sc= 1.43 X(o=1.4,f=1.7) USER MOD Single : X 144 ASN : amide:sc=-0.000372 K(o=-0.00037,f=-1.2) USER MOD Single : X 151 THR OG1 : rot -166:sc= 1.76 USER MOD Single : X 152 THR OG1 : rot 74:sc= 1.8 USER MOD Single : X 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 43.779 -2.991 8.993 1.00 21.15 N ATOM 2 CA MET X 1 43.069 -1.677 8.914 1.00 20.79 C ATOM 3 C MET X 1 41.635 -1.817 9.451 1.00 20.02 C ATOM 4 O MET X 1 41.023 -2.896 9.380 1.00 20.46 O ATOM 5 CB MET X 1 43.124 -1.147 7.466 1.00 21.60 C ATOM 6 CG MET X 1 42.590 0.262 7.247 1.00 23.26 C ATOM 7 SD MET X 1 43.452 1.581 8.131 1.00 24.35 S ATOM 8 CE MET X 1 45.134 1.133 7.773 1.00 21.36 C ATOM 0 H1 MET X 1 44.581 -2.918 8.614 1.00 21.15 H new ATOM 0 H2 MET X 1 43.874 -3.226 9.846 1.00 21.15 H new ATOM 0 H3 MET X 1 43.305 -3.611 8.566 1.00 21.15 H new ATOM 0 HA MET X 1 43.511 -1.021 9.476 1.00 20.79 H new ATOM 0 HB2 MET X 1 44.046 -1.174 7.166 1.00 21.60 H new ATOM 0 HB3 MET X 1 42.623 -1.755 6.899 1.00 21.60 H new ATOM 0 HG2 MET X 1 42.623 0.458 6.298 1.00 23.26 H new ATOM 0 HG3 MET X 1 41.656 0.279 7.507 1.00 23.26 H new ATOM 0 HE1 MET X 1 45.712 1.898 7.922 1.00 21.36 H new ATOM 0 HE2 MET X 1 45.406 0.405 8.354 1.00 21.36 H new ATOM 0 HE3 MET X 1 45.204 0.851 6.848 1.00 21.36 H new ATOM 9 N ASN X 2 41.118 -0.744 10.042 1.00 17.99 N ATOM 10 CA ASN X 2 39.746 -0.684 10.524 1.00 17.21 C ATOM 11 C ASN X 2 39.383 0.802 10.641 1.00 16.29 C ATOM 12 O ASN X 2 40.248 1.656 10.411 1.00 15.40 O ATOM 13 CB ASN X 2 39.618 -1.409 11.878 1.00 17.84 C ATOM 14 CG ASN X 2 40.547 -0.839 12.928 1.00 18.18 C ATOM 15 OD1 ASN X 2 40.559 0.373 13.160 1.00 17.69 O ATOM 16 ND2 ASN X 2 41.329 -1.706 13.569 1.00 17.74 N ATOM 0 H ASN X 2 41.563 -0.020 10.175 1.00 17.99 H new ATOM 0 HA ASN X 2 39.137 -1.130 9.915 1.00 17.21 H new ATOM 0 HB2 ASN X 2 38.702 -1.345 12.191 1.00 17.84 H new ATOM 0 HB3 ASN X 2 39.811 -2.352 11.757 1.00 17.84 H new ATOM 0 HD21 ASN X 2 41.873 -1.428 14.175 1.00 17.74 H new ATOM 0 HD22 ASN X 2 41.290 -2.543 13.377 1.00 17.74 H new ATOM 17 N ILE X 3 38.149 1.099 11.029 1.00 15.29 N ATOM 18 CA ILE X 3 37.661 2.490 11.089 1.00 14.86 C ATOM 19 C ILE X 3 38.511 3.389 12.017 1.00 14.77 C ATOM 20 O ILE X 3 38.709 4.586 11.744 1.00 14.43 O ATOM 21 CB ILE X 3 36.140 2.567 11.458 1.00 14.69 C ATOM 22 CG1 ILE X 3 35.607 4.004 11.385 1.00 13.69 C ATOM 23 CG2 ILE X 3 35.836 1.890 12.835 1.00 14.74 C ATOM 24 CD1 ILE X 3 35.802 4.710 10.036 1.00 13.55 C ATOM 0 H ILE X 3 37.568 0.511 11.265 1.00 15.29 H new ATOM 0 HA ILE X 3 37.763 2.843 10.191 1.00 14.86 H new ATOM 0 HB ILE X 3 35.659 2.057 10.788 1.00 14.69 H new ATOM 0 HG12 ILE X 3 34.660 3.993 11.593 1.00 13.69 H new ATOM 0 HG13 ILE X 3 36.042 4.530 12.074 1.00 13.69 H new ATOM 0 HG21 ILE X 3 34.888 1.958 13.027 1.00 14.74 H new ATOM 0 HG22 ILE X 3 36.092 0.955 12.800 1.00 14.74 H new ATOM 0 HG23 ILE X 3 36.340 2.336 13.533 1.00 14.74 H new ATOM 0 HD11 ILE X 3 35.437 5.607 10.084 1.00 13.55 H new ATOM 0 HD12 ILE X 3 36.749 4.758 9.829 1.00 13.55 H new ATOM 0 HD13 ILE X 3 35.344 4.212 9.341 1.00 13.55 H new ATOM 25 N PHE X 4 39.003 2.812 13.110 1.00 14.00 N ATOM 26 CA PHE X 4 39.843 3.578 14.029 1.00 14.57 C ATOM 27 C PHE X 4 41.167 3.966 13.375 1.00 14.53 C ATOM 28 O PHE X 4 41.577 5.141 13.407 1.00 14.76 O ATOM 29 CB PHE X 4 40.028 2.805 15.341 1.00 14.93 C ATOM 30 CG PHE X 4 38.806 2.816 16.211 1.00 15.58 C ATOM 31 CD1 PHE X 4 38.659 3.790 17.200 1.00 18.51 C ATOM 32 CD2 PHE X 4 37.806 1.852 16.052 1.00 15.80 C ATOM 33 CE1 PHE X 4 37.528 3.809 18.018 1.00 19.29 C ATOM 34 CE2 PHE X 4 36.671 1.866 16.864 1.00 18.23 C ATOM 35 CZ PHE X 4 36.527 2.837 17.837 1.00 19.50 C ATOM 0 H PHE X 4 38.866 1.994 13.336 1.00 14.00 H new ATOM 0 HA PHE X 4 39.398 4.412 14.246 1.00 14.57 H new ATOM 0 HB2 PHE X 4 40.265 1.887 15.138 1.00 14.93 H new ATOM 0 HB3 PHE X 4 40.771 3.187 15.833 1.00 14.93 H new ATOM 0 HD1 PHE X 4 39.321 4.433 17.315 1.00 18.51 H new ATOM 0 HD2 PHE X 4 37.898 1.196 15.399 1.00 15.80 H new ATOM 0 HE1 PHE X 4 37.437 4.459 18.677 1.00 19.29 H new ATOM 0 HE2 PHE X 4 36.011 1.221 16.750 1.00 18.23 H new ATOM 0 HZ PHE X 4 35.767 2.848 18.373 1.00 19.50 H new ATOM 36 N GLU X 5 41.834 2.987 12.766 1.00 14.65 N ATOM 37 CA GLU X 5 43.125 3.231 12.130 1.00 15.46 C ATOM 38 C GLU X 5 42.952 4.170 10.929 1.00 15.14 C ATOM 39 O GLU X 5 43.822 4.994 10.653 1.00 14.94 O ATOM 40 CB GLU X 5 43.771 1.933 11.662 1.00 15.64 C ATOM 41 CG GLU X 5 44.158 0.962 12.824 1.00 15.99 C ATOM 42 CD GLU X 5 44.887 -0.289 12.343 1.00 19.08 C ATOM 43 OE1 GLU X 5 45.280 -0.329 11.160 1.00 22.06 O ATOM 44 OE2 GLU X 5 45.084 -1.216 13.169 1.00 22.38 O ATOM 0 H GLU X 5 41.556 2.175 12.711 1.00 14.65 H new ATOM 0 HA GLU X 5 43.704 3.642 12.791 1.00 15.46 H new ATOM 0 HB2 GLU X 5 43.161 1.477 11.061 1.00 15.64 H new ATOM 0 HB3 GLU X 5 44.568 2.145 11.151 1.00 15.64 H new ATOM 0 HG2 GLU X 5 44.721 1.434 13.458 1.00 15.99 H new ATOM 0 HG3 GLU X 5 43.354 0.699 13.299 1.00 15.99 H new ATOM 45 N MET X 6 41.821 4.023 10.247 1.00 14.25 N ATOM 46 CA MET X 6 41.501 4.797 9.048 1.00 14.81 C ATOM 47 C MET X 6 41.332 6.278 9.409 1.00 15.66 C ATOM 48 O MET X 6 41.986 7.151 8.818 1.00 16.12 O ATOM 49 CB MET X 6 40.209 4.272 8.437 1.00 14.48 C ATOM 50 CG MET X 6 39.852 4.868 7.069 1.00 14.19 C ATOM 51 SD MET X 6 38.115 4.593 6.802 1.00 15.39 S ATOM 52 CE MET X 6 37.922 4.880 5.031 1.00 15.99 C ATOM 0 H MET X 6 41.208 3.463 10.470 1.00 14.25 H new ATOM 0 HA MET X 6 42.225 4.707 8.408 1.00 14.81 H new ATOM 0 HB2 MET X 6 40.277 3.309 8.348 1.00 14.48 H new ATOM 0 HB3 MET X 6 39.480 4.449 9.052 1.00 14.48 H new ATOM 0 HG2 MET X 6 40.055 5.816 7.047 1.00 14.19 H new ATOM 0 HG3 MET X 6 40.375 4.450 6.368 1.00 14.19 H new ATOM 0 HE1 MET X 6 37.066 4.530 4.738 1.00 15.99 H new ATOM 0 HE2 MET X 6 37.960 5.832 4.851 1.00 15.99 H new ATOM 0 HE3 MET X 6 38.636 4.432 4.551 1.00 15.99 H new ATOM 53 N LEU X 7 40.475 6.546 10.396 1.00 15.77 N ATOM 54 CA LEU X 7 40.262 7.908 10.843 1.00 15.26 C ATOM 55 C LEU X 7 41.501 8.492 11.514 1.00 16.12 C ATOM 56 O LEU X 7 41.765 9.684 11.378 1.00 15.55 O ATOM 57 CB LEU X 7 39.040 8.024 11.748 1.00 15.33 C ATOM 58 CG LEU X 7 37.741 8.075 10.950 1.00 15.36 C ATOM 59 CD1 LEU X 7 36.533 7.800 11.849 1.00 15.25 C ATOM 60 CD2 LEU X 7 37.622 9.436 10.179 1.00 13.42 C ATOM 0 H LEU X 7 40.013 5.952 10.813 1.00 15.77 H new ATOM 0 HA LEU X 7 40.089 8.436 10.048 1.00 15.26 H new ATOM 0 HB2 LEU X 7 39.016 7.268 12.356 1.00 15.33 H new ATOM 0 HB3 LEU X 7 39.116 8.823 12.292 1.00 15.33 H new ATOM 0 HG LEU X 7 37.755 7.370 10.284 1.00 15.36 H new ATOM 0 HD11 LEU X 7 35.721 7.838 11.320 1.00 15.25 H new ATOM 0 HD12 LEU X 7 36.619 6.919 12.246 1.00 15.25 H new ATOM 0 HD13 LEU X 7 36.493 8.468 12.551 1.00 15.25 H new ATOM 0 HD21 LEU X 7 36.792 9.452 9.677 1.00 13.42 H new ATOM 0 HD22 LEU X 7 37.630 10.169 10.814 1.00 13.42 H new ATOM 0 HD23 LEU X 7 38.370 9.529 9.569 1.00 13.42 H new ATOM 61 N ARG X 8 42.263 7.663 12.221 1.00 15.08 N ATOM 62 CA ARG X 8 43.545 8.135 12.764 1.00 16.11 C ATOM 63 C ARG X 8 44.499 8.655 11.662 1.00 16.90 C ATOM 64 O ARG X 8 45.159 9.678 11.842 1.00 16.14 O ATOM 65 CB ARG X 8 44.207 7.069 13.628 1.00 16.85 C ATOM 66 CG ARG X 8 45.607 7.438 14.092 1.00 16.26 C ATOM 67 CD ARG X 8 45.601 8.668 15.022 1.00 19.38 C ATOM 68 NE ARG X 8 46.963 8.952 15.470 1.00 21.08 N ATOM 69 CZ ARG X 8 47.888 9.562 14.741 1.00 23.50 C ATOM 70 NH1 ARG X 8 47.621 9.983 13.507 1.00 23.14 N ATOM 71 NH2 ARG X 8 49.103 9.742 15.253 1.00 25.50 N ATOM 0 H ARG X 8 42.068 6.844 12.397 1.00 15.08 H new ATOM 0 HA ARG X 8 43.347 8.894 13.334 1.00 16.11 H new ATOM 0 HB2 ARG X 8 43.651 6.903 14.405 1.00 16.85 H new ATOM 0 HB3 ARG X 8 44.249 6.239 13.127 1.00 16.85 H new ATOM 0 HG2 ARG X 8 46.002 6.684 14.557 1.00 16.26 H new ATOM 0 HG3 ARG X 8 46.165 7.620 13.320 1.00 16.26 H new ATOM 0 HD2 ARG X 8 45.238 9.436 14.554 1.00 19.38 H new ATOM 0 HD3 ARG X 8 45.027 8.504 15.787 1.00 19.38 H new ATOM 0 HE ARG X 8 47.181 8.705 16.265 1.00 21.08 H new ATOM 0 HH11 ARG X 8 46.839 9.861 13.171 1.00 23.14 H new ATOM 0 HH12 ARG X 8 48.231 10.377 13.046 1.00 23.14 H new ATOM 0 HH21 ARG X 8 49.280 9.464 16.047 1.00 25.50 H new ATOM 0 HH22 ARG X 8 49.711 10.136 14.790 1.00 25.50 H new ATOM 72 N ILE X 9 44.548 7.964 10.524 1.00 16.47 N ATOM 73 CA ILE X 9 45.332 8.437 9.388 1.00 16.36 C ATOM 74 C ILE X 9 44.746 9.752 8.816 1.00 15.84 C ATOM 75 O ILE X 9 45.485 10.732 8.601 1.00 15.18 O ATOM 76 CB ILE X 9 45.422 7.335 8.296 1.00 16.85 C ATOM 77 CG1 ILE X 9 46.436 6.272 8.706 1.00 16.62 C ATOM 78 CG2 ILE X 9 45.772 7.932 6.915 1.00 17.64 C ATOM 79 CD1 ILE X 9 46.286 4.963 7.905 1.00 15.81 C ATOM 0 H ILE X 9 44.135 7.221 10.391 1.00 16.47 H new ATOM 0 HA ILE X 9 46.231 8.630 9.696 1.00 16.36 H new ATOM 0 HB ILE X 9 44.550 6.918 8.215 1.00 16.85 H new ATOM 0 HG12 ILE X 9 47.332 6.621 8.582 1.00 16.62 H new ATOM 0 HG13 ILE X 9 46.334 6.081 9.652 1.00 16.62 H new ATOM 0 HG21 ILE X 9 45.821 7.220 6.258 1.00 17.64 H new ATOM 0 HG22 ILE X 9 45.087 8.567 6.654 1.00 17.64 H new ATOM 0 HG23 ILE X 9 46.629 8.384 6.965 1.00 17.64 H new ATOM 0 HD11 ILE X 9 46.951 4.323 8.203 1.00 15.81 H new ATOM 0 HD12 ILE X 9 45.399 4.597 8.047 1.00 15.81 H new ATOM 0 HD13 ILE X 9 46.413 5.145 6.961 1.00 15.81 H new ATOM 80 N ASP X 10 43.432 9.784 8.604 1.00 15.64 N ATOM 81 CA ASP X 10 42.788 10.956 7.992 1.00 16.35 C ATOM 82 C ASP X 10 42.786 12.214 8.873 1.00 16.83 C ATOM 83 O ASP X 10 42.851 13.348 8.362 1.00 17.07 O ATOM 84 CB ASP X 10 41.372 10.627 7.514 1.00 16.22 C ATOM 85 CG ASP X 10 41.382 9.743 6.268 1.00 15.81 C ATOM 86 OD1 ASP X 10 42.416 9.722 5.560 1.00 14.75 O ATOM 87 OD2 ASP X 10 40.368 9.064 6.012 1.00 16.10 O ATOM 0 H ASP X 10 42.894 9.143 8.804 1.00 15.64 H new ATOM 0 HA ASP X 10 43.341 11.174 7.226 1.00 16.35 H new ATOM 0 HB2 ASP X 10 40.887 10.178 8.224 1.00 16.22 H new ATOM 0 HB3 ASP X 10 40.896 11.450 7.322 1.00 16.22 H new ATOM 88 N GLU X 11 42.734 12.011 10.187 1.00 16.21 N ATOM 89 CA GLU X 11 42.528 13.130 11.108 1.00 16.34 C ATOM 90 C GLU X 11 43.809 13.563 11.822 1.00 16.41 C ATOM 91 O GLU X 11 43.910 14.708 12.270 1.00 17.03 O ATOM 92 CB GLU X 11 41.419 12.791 12.131 1.00 16.44 C ATOM 93 CG GLU X 11 40.015 12.598 11.544 1.00 16.59 C ATOM 94 CD GLU X 11 39.436 13.873 10.895 1.00 18.31 C ATOM 95 OE1 GLU X 11 40.052 14.980 11.029 1.00 17.40 O ATOM 96 OE2 GLU X 11 38.360 13.775 10.264 1.00 19.58 O ATOM 0 H GLU X 11 42.815 11.242 10.564 1.00 16.21 H new ATOM 0 HA GLU X 11 42.246 13.886 10.569 1.00 16.34 H new ATOM 0 HB2 GLU X 11 41.671 11.980 12.600 1.00 16.44 H new ATOM 0 HB3 GLU X 11 41.382 13.501 12.791 1.00 16.44 H new ATOM 0 HG2 GLU X 11 40.044 11.891 10.880 1.00 16.59 H new ATOM 0 HG3 GLU X 11 39.416 12.302 12.247 1.00 16.59 H new ATOM 97 N GLY X 12 44.782 12.661 11.941 1.00 15.92 N ATOM 98 CA GLY X 12 46.012 12.955 12.696 1.00 16.72 C ATOM 99 C GLY X 12 45.749 12.910 14.210 1.00 17.50 C ATOM 100 O GLY X 12 44.637 12.568 14.651 1.00 16.54 O ATOM 0 H GLY X 12 44.755 11.874 11.595 1.00 15.92 H new ATOM 0 HA2 GLY X 12 46.700 12.312 12.464 1.00 16.72 H new ATOM 0 HA3 GLY X 12 46.347 13.831 12.448 1.00 16.72 H new ATOM 101 N LEU X 13 46.777 13.232 15.000 1.00 17.85 N ATOM 102 CA LEU X 13 46.605 13.347 16.454 1.00 18.33 C ATOM 103 C LEU X 13 47.341 14.599 16.918 1.00 18.39 C ATOM 104 O LEU X 13 48.573 14.702 16.763 1.00 18.05 O ATOM 105 CB LEU X 13 47.122 12.082 17.176 1.00 17.86 C ATOM 106 CG LEU X 13 47.325 12.096 18.702 1.00 19.32 C ATOM 107 CD1 LEU X 13 46.026 12.217 19.426 1.00 20.87 C ATOM 108 CD2 LEU X 13 48.063 10.809 19.174 1.00 20.81 C ATOM 0 H LEU X 13 47.575 13.387 14.719 1.00 17.85 H new ATOM 0 HA LEU X 13 45.663 13.423 16.674 1.00 18.33 H new ATOM 0 HB2 LEU X 13 46.505 11.362 16.974 1.00 17.86 H new ATOM 0 HB3 LEU X 13 47.973 11.848 16.774 1.00 17.86 H new ATOM 0 HG LEU X 13 47.868 12.872 18.911 1.00 19.32 H new ATOM 0 HD11 LEU X 13 46.188 12.223 20.382 1.00 20.87 H new ATOM 0 HD12 LEU X 13 45.587 13.042 19.168 1.00 20.87 H new ATOM 0 HD13 LEU X 13 45.458 11.464 19.199 1.00 20.87 H new ATOM 0 HD21 LEU X 13 48.181 10.838 20.136 1.00 20.81 H new ATOM 0 HD22 LEU X 13 47.538 10.029 18.936 1.00 20.81 H new ATOM 0 HD23 LEU X 13 48.931 10.757 18.744 1.00 20.81 H new ATOM 109 N ARG X 14 46.588 15.556 17.459 1.00 18.51 N ATOM 110 CA ARG X 14 47.193 16.765 18.027 1.00 19.55 C ATOM 111 C ARG X 14 46.652 17.006 19.428 1.00 18.93 C ATOM 112 O ARG X 14 45.453 16.946 19.650 1.00 18.53 O ATOM 113 CB ARG X 14 46.992 17.986 17.117 1.00 18.57 C ATOM 114 CG ARG X 14 47.642 17.815 15.743 1.00 19.76 C ATOM 115 CD ARG X 14 47.440 19.031 14.843 1.00 22.22 C ATOM 116 NE ARG X 14 48.270 20.166 15.239 1.00 25.78 N ATOM 117 CZ ARG X 14 48.313 21.326 14.575 1.00 28.01 C ATOM 118 NH1 ARG X 14 47.566 21.513 13.494 1.00 29.48 N ATOM 119 NH2 ARG X 14 49.094 22.307 14.999 1.00 30.77 N ATOM 0 H ARG X 14 45.730 15.527 17.508 1.00 18.51 H new ATOM 0 HA ARG X 14 48.151 16.628 18.090 1.00 19.55 H new ATOM 0 HB2 ARG X 14 46.042 18.146 17.003 1.00 18.57 H new ATOM 0 HB3 ARG X 14 47.362 18.771 17.550 1.00 18.57 H new ATOM 0 HG2 ARG X 14 48.592 17.655 15.856 1.00 19.76 H new ATOM 0 HG3 ARG X 14 47.272 17.031 15.309 1.00 19.76 H new ATOM 0 HD2 ARG X 14 47.645 18.789 13.926 1.00 22.22 H new ATOM 0 HD3 ARG X 14 46.507 19.294 14.865 1.00 22.22 H new ATOM 0 HE ARG X 14 48.760 20.083 15.941 1.00 25.78 H new ATOM 0 HH11 ARG X 14 47.049 20.885 13.215 1.00 29.48 H new ATOM 0 HH12 ARG X 14 47.599 22.262 13.073 1.00 29.48 H new ATOM 0 HH21 ARG X 14 49.576 22.199 15.703 1.00 30.77 H new ATOM 0 HH22 ARG X 14 49.120 23.052 14.570 1.00 30.77 H new ATOM 120 N LEU X 15 47.559 17.250 20.372 1.00 18.44 N ATOM 121 CA LEU X 15 47.189 17.281 21.783 1.00 18.83 C ATOM 122 C LEU X 15 46.876 18.676 22.307 1.00 19.06 C ATOM 123 O LEU X 15 46.461 18.828 23.472 1.00 19.88 O ATOM 124 CB LEU X 15 48.263 16.590 22.645 1.00 18.59 C ATOM 125 CG LEU X 15 48.528 15.093 22.479 1.00 18.56 C ATOM 126 CD1 LEU X 15 49.453 14.571 23.611 1.00 19.94 C ATOM 127 CD2 LEU X 15 47.198 14.318 22.421 1.00 18.55 C ATOM 0 H LEU X 15 48.391 17.400 20.216 1.00 18.44 H new ATOM 0 HA LEU X 15 46.359 16.784 21.854 1.00 18.83 H new ATOM 0 HB2 LEU X 15 49.101 17.051 22.486 1.00 18.59 H new ATOM 0 HB3 LEU X 15 48.028 16.740 23.574 1.00 18.59 H new ATOM 0 HG LEU X 15 48.991 14.947 21.639 1.00 18.56 H new ATOM 0 HD11 LEU X 15 49.610 13.621 23.489 1.00 19.94 H new ATOM 0 HD12 LEU X 15 50.299 15.044 23.582 1.00 19.94 H new ATOM 0 HD13 LEU X 15 49.029 14.721 24.470 1.00 19.94 H new ATOM 0 HD21 LEU X 15 47.379 13.371 22.316 1.00 18.55 H new ATOM 0 HD22 LEU X 15 46.703 14.463 23.243 1.00 18.55 H new ATOM 0 HD23 LEU X 15 46.673 14.632 21.668 1.00 18.55 H new ATOM 128 N LYS X 16 47.069 19.689 21.466 1.00 19.22 N ATOM 129 CA LYS X 16 46.675 21.061 21.792 1.00 19.98 C ATOM 130 C LYS X 16 45.623 21.522 20.809 1.00 20.00 C ATOM 131 O LYS X 16 45.589 21.044 19.669 1.00 20.52 O ATOM 132 CB LYS X 16 47.878 22.030 21.743 1.00 19.69 C ATOM 133 CG LYS X 16 49.040 21.592 22.594 1.00 22.47 C ATOM 0 H LYS X 16 47.431 19.602 20.691 1.00 19.22 H new ATOM 0 HA LYS X 16 46.324 21.066 22.696 1.00 19.98 H new ATOM 0 HB2 LYS X 16 48.175 22.118 20.824 1.00 19.69 H new ATOM 0 HB3 LYS X 16 47.588 22.909 22.033 1.00 19.69 H new ATOM 134 N ILE X 17 44.777 22.460 21.240 1.00 19.22 N ATOM 135 CA ILE X 17 43.749 23.005 20.373 1.00 18.95 C ATOM 136 C ILE X 17 44.369 23.518 19.061 1.00 19.11 C ATOM 137 O ILE X 17 45.372 24.243 19.073 1.00 19.59 O ATOM 138 CB ILE X 17 42.934 24.111 21.067 1.00 18.63 C ATOM 139 CG1 ILE X 17 42.054 23.490 22.169 1.00 17.87 C ATOM 140 CG2 ILE X 17 42.081 24.880 20.060 1.00 17.60 C ATOM 141 CD1 ILE X 17 41.353 24.525 23.061 1.00 19.44 C ATOM 0 H ILE X 17 44.787 22.791 22.034 1.00 19.22 H new ATOM 0 HA ILE X 17 43.131 22.287 20.165 1.00 18.95 H new ATOM 0 HB ILE X 17 43.548 24.744 21.471 1.00 18.63 H new ATOM 0 HG12 ILE X 17 41.383 22.925 21.755 1.00 17.87 H new ATOM 0 HG13 ILE X 17 42.604 22.916 22.725 1.00 17.87 H new ATOM 0 HG21 ILE X 17 41.578 25.570 20.521 1.00 17.60 H new ATOM 0 HG22 ILE X 17 42.656 25.290 19.395 1.00 17.60 H new ATOM 0 HG23 ILE X 17 41.466 24.270 19.624 1.00 17.60 H new ATOM 0 HD11 ILE X 17 40.819 24.068 23.729 1.00 19.44 H new ATOM 0 HD12 ILE X 17 42.018 25.076 23.502 1.00 19.44 H new ATOM 0 HD13 ILE X 17 40.778 25.086 22.516 1.00 19.44 H new ATOM 142 N TYR X 18 43.778 23.111 17.947 1.00 18.59 N ATOM 143 CA TYR X 18 44.224 23.567 16.619 1.00 18.41 C ATOM 144 C TYR X 18 43.011 23.894 15.743 1.00 17.98 C ATOM 145 O TYR X 18 41.883 23.603 16.114 1.00 18.03 O ATOM 146 CB TYR X 18 45.119 22.511 15.955 1.00 18.58 C ATOM 147 CG TYR X 18 44.391 21.226 15.576 1.00 18.76 C ATOM 148 CD1 TYR X 18 44.202 20.199 16.516 1.00 17.91 C ATOM 149 CD2 TYR X 18 43.894 21.023 14.259 1.00 19.83 C ATOM 150 CE1 TYR X 18 43.545 19.005 16.167 1.00 18.93 C ATOM 151 CE2 TYR X 18 43.221 19.822 13.917 1.00 20.62 C ATOM 152 CZ TYR X 18 43.066 18.824 14.867 1.00 18.86 C ATOM 153 OH TYR X 18 42.413 17.624 14.563 1.00 19.99 O ATOM 0 H TYR X 18 43.112 22.567 17.929 1.00 18.59 H new ATOM 0 HA TYR X 18 44.751 24.374 16.725 1.00 18.41 H new ATOM 0 HB2 TYR X 18 45.516 22.893 15.157 1.00 18.58 H new ATOM 0 HB3 TYR X 18 45.847 22.293 16.558 1.00 18.58 H new ATOM 0 HD1 TYR X 18 44.517 20.310 17.384 1.00 17.91 H new ATOM 0 HD2 TYR X 18 44.011 21.684 13.616 1.00 19.83 H new ATOM 0 HE1 TYR X 18 43.429 18.336 16.802 1.00 18.93 H new ATOM 0 HE2 TYR X 18 42.885 19.704 13.058 1.00 20.62 H new ATOM 0 HH TYR X 18 42.032 17.330 15.251 1.00 19.99 H new ATOM 154 N LYS X 19 43.228 24.534 14.597 1.00 17.73 N ATOM 155 CA LYS X 19 42.128 24.755 13.685 1.00 17.31 C ATOM 156 C LYS X 19 42.092 23.646 12.634 1.00 17.44 C ATOM 157 O LYS X 19 43.122 23.297 12.052 1.00 17.17 O ATOM 158 CB LYS X 19 42.208 26.129 13.022 1.00 16.97 C ATOM 159 CG LYS X 19 41.938 27.284 13.981 1.00 18.01 C ATOM 160 CD LYS X 19 41.975 28.597 13.243 1.00 19.36 C ATOM 161 CE LYS X 19 41.682 29.760 14.199 1.00 20.81 C ATOM 162 NZ LYS X 19 41.818 31.065 13.478 1.00 21.41 N ATOM 0 H LYS X 19 43.989 24.840 14.338 1.00 17.73 H new ATOM 0 HA LYS X 19 41.304 24.733 14.197 1.00 17.31 H new ATOM 0 HB2 LYS X 19 43.089 26.241 12.632 1.00 16.97 H new ATOM 0 HB3 LYS X 19 41.568 26.166 12.294 1.00 16.97 H new ATOM 0 HG2 LYS X 19 41.072 27.167 14.402 1.00 18.01 H new ATOM 0 HG3 LYS X 19 42.600 27.286 14.690 1.00 18.01 H new ATOM 0 HD2 LYS X 19 42.846 28.719 12.834 1.00 19.36 H new ATOM 0 HD3 LYS X 19 41.323 28.589 12.525 1.00 19.36 H new ATOM 0 HE2 LYS X 19 40.786 29.674 14.560 1.00 20.81 H new ATOM 0 HE3 LYS X 19 42.294 29.732 14.951 1.00 20.81 H new ATOM 0 HZ1 LYS X 19 41.893 31.725 14.070 1.00 21.41 H new ATOM 0 HZ2 LYS X 19 42.544 31.046 12.963 1.00 21.41 H new ATOM 0 HZ3 LYS X 19 41.099 31.201 12.972 1.00 21.41 H new ATOM 163 N ASP X 20 40.898 23.119 12.374 1.00 16.96 N ATOM 164 CA ASP X 20 40.730 22.096 11.353 1.00 17.44 C ATOM 165 C ASP X 20 40.804 22.700 9.934 1.00 17.46 C ATOM 166 O ASP X 20 41.123 23.890 9.776 1.00 17.38 O ATOM 167 CB ASP X 20 39.445 21.272 11.567 1.00 16.93 C ATOM 168 CG ASP X 20 38.134 22.046 11.269 1.00 17.79 C ATOM 169 OD1 ASP X 20 38.137 23.172 10.736 1.00 15.86 O ATOM 170 OD2 ASP X 20 37.046 21.497 11.578 1.00 17.87 O ATOM 0 H ASP X 20 40.173 23.342 12.780 1.00 16.96 H new ATOM 0 HA ASP X 20 41.472 21.477 11.440 1.00 17.44 H new ATOM 0 HB2 ASP X 20 39.480 20.485 11.001 1.00 16.93 H new ATOM 0 HB3 ASP X 20 39.422 20.960 12.485 1.00 16.93 H new ATOM 171 N THR X 21 40.479 21.895 8.922 1.00 17.29 N ATOM 172 CA THR X 21 40.663 22.339 7.533 1.00 17.33 C ATOM 173 C THR X 21 39.696 23.485 7.197 1.00 17.56 C ATOM 174 O THR X 21 39.911 24.241 6.246 1.00 17.46 O ATOM 175 CB THR X 21 40.454 21.184 6.524 1.00 17.60 C ATOM 176 OG1 THR X 21 39.089 20.753 6.561 1.00 19.04 O ATOM 177 CG2 THR X 21 41.388 19.976 6.839 1.00 19.11 C ATOM 0 H THR X 21 40.157 21.103 9.011 1.00 17.29 H new ATOM 0 HA THR X 21 41.578 22.650 7.456 1.00 17.33 H new ATOM 0 HB THR X 21 40.674 21.515 5.639 1.00 17.60 H new ATOM 0 HG1 THR X 21 38.708 20.967 5.844 1.00 19.04 H new ATOM 0 HG21 THR X 21 41.234 19.270 6.191 1.00 19.11 H new ATOM 0 HG22 THR X 21 42.314 20.262 6.792 1.00 19.11 H new ATOM 0 HG23 THR X 21 41.198 19.644 7.730 1.00 19.11 H new ATOM 178 N GLU X 22 38.617 23.592 7.969 1.00 17.57 N ATOM 179 CA GLU X 22 37.631 24.654 7.781 1.00 18.11 C ATOM 180 C GLU X 22 37.894 25.888 8.667 1.00 18.15 C ATOM 181 O GLU X 22 37.128 26.867 8.634 1.00 19.21 O ATOM 182 CB GLU X 22 36.210 24.104 7.984 1.00 18.18 C ATOM 183 CG GLU X 22 35.812 23.013 6.988 1.00 21.16 C ATOM 184 CD GLU X 22 35.559 23.556 5.581 1.00 24.51 C ATOM 185 OE1 GLU X 22 35.157 24.732 5.448 1.00 25.90 O ATOM 186 OE2 GLU X 22 35.758 22.809 4.598 1.00 26.85 O ATOM 0 H GLU X 22 38.436 23.053 8.614 1.00 17.57 H new ATOM 0 HA GLU X 22 37.718 24.965 6.866 1.00 18.11 H new ATOM 0 HB2 GLU X 22 36.137 23.749 8.884 1.00 18.18 H new ATOM 0 HB3 GLU X 22 35.578 24.836 7.916 1.00 18.18 H new ATOM 0 HG2 GLU X 22 36.514 22.344 6.950 1.00 21.16 H new ATOM 0 HG3 GLU X 22 35.012 22.567 7.306 1.00 21.16 H new ATOM 187 N GLY X 23 38.968 25.832 9.449 1.00 18.24 N ATOM 188 CA GLY X 23 39.329 26.893 10.385 1.00 18.10 C ATOM 189 C GLY X 23 38.632 26.830 11.733 1.00 18.29 C ATOM 190 O GLY X 23 38.637 27.818 12.473 1.00 18.34 O ATOM 0 H GLY X 23 39.515 25.168 9.451 1.00 18.24 H new ATOM 0 HA2 GLY X 23 40.288 26.864 10.531 1.00 18.10 H new ATOM 0 HA3 GLY X 23 39.131 27.749 9.974 1.00 18.10 H new ATOM 191 N TYR X 24 38.070 25.665 12.077 1.00 17.70 N ATOM 192 CA TYR X 24 37.367 25.492 13.358 1.00 18.79 C ATOM 193 C TYR X 24 38.194 24.828 14.425 1.00 17.75 C ATOM 194 O TYR X 24 38.896 23.845 14.154 1.00 16.48 O ATOM 195 CB TYR X 24 36.109 24.640 13.182 1.00 20.86 C ATOM 196 CG TYR X 24 35.106 25.232 12.248 1.00 23.57 C ATOM 197 CD1 TYR X 24 34.771 26.587 12.328 1.00 25.78 C ATOM 198 CD2 TYR X 24 34.491 24.445 11.283 1.00 25.59 C ATOM 199 CE1 TYR X 24 33.836 27.140 11.457 1.00 27.86 C ATOM 200 CE2 TYR X 24 33.556 24.983 10.413 1.00 27.15 C ATOM 201 CZ TYR X 24 33.237 26.329 10.503 1.00 27.51 C ATOM 202 OH TYR X 24 32.299 26.869 9.646 1.00 28.81 O ATOM 0 H TYR X 24 38.084 24.961 11.583 1.00 17.70 H new ATOM 0 HA TYR X 24 37.157 26.395 13.642 1.00 18.79 H new ATOM 0 HB2 TYR X 24 36.365 23.764 12.855 1.00 20.86 H new ATOM 0 HB3 TYR X 24 35.694 24.509 14.049 1.00 20.86 H new ATOM 0 HD1 TYR X 24 35.177 27.124 12.969 1.00 25.78 H new ATOM 0 HD2 TYR X 24 34.710 23.543 11.220 1.00 25.59 H new ATOM 0 HE1 TYR X 24 33.616 28.042 11.514 1.00 27.86 H new ATOM 0 HE2 TYR X 24 33.146 24.446 9.774 1.00 27.15 H new ATOM 0 HH TYR X 24 32.020 26.273 9.124 1.00 28.81 H new ATOM 203 N TYR X 25 38.066 25.349 15.655 1.00 17.86 N ATOM 204 CA TYR X 25 38.806 24.824 16.805 1.00 17.47 C ATOM 205 C TYR X 25 38.496 23.359 17.045 1.00 16.46 C ATOM 206 O TYR X 25 37.320 22.950 17.087 1.00 16.48 O ATOM 207 CB TYR X 25 38.513 25.624 18.060 1.00 18.09 C ATOM 208 CG TYR X 25 39.132 27.001 17.986 1.00 19.69 C ATOM 209 CD1 TYR X 25 40.513 27.146 17.812 1.00 19.83 C ATOM 210 CD2 TYR X 25 38.341 28.150 18.096 1.00 20.40 C ATOM 211 CE1 TYR X 25 41.108 28.411 17.744 1.00 21.39 C ATOM 212 CE2 TYR X 25 38.922 29.431 18.013 1.00 19.76 C ATOM 213 CZ TYR X 25 40.307 29.539 17.857 1.00 20.99 C ATOM 214 OH TYR X 25 40.921 30.774 17.790 1.00 23.44 O ATOM 0 H TYR X 25 37.551 26.012 15.841 1.00 17.86 H new ATOM 0 HA TYR X 25 39.749 24.908 16.595 1.00 17.47 H new ATOM 0 HB2 TYR X 25 37.554 25.704 18.179 1.00 18.09 H new ATOM 0 HB3 TYR X 25 38.857 25.153 18.835 1.00 18.09 H new ATOM 0 HD1 TYR X 25 41.046 26.387 17.740 1.00 19.83 H new ATOM 0 HD2 TYR X 25 37.424 28.067 18.225 1.00 20.40 H new ATOM 0 HE1 TYR X 25 42.027 28.495 17.625 1.00 21.39 H new ATOM 0 HE2 TYR X 25 38.392 30.194 18.061 1.00 19.76 H new ATOM 0 HH TYR X 25 41.744 30.686 17.931 1.00 23.44 H new ATOM 215 N THR X 26 39.578 22.597 17.182 1.00 16.09 N ATOM 216 CA THR X 26 39.519 21.132 17.183 1.00 16.18 C ATOM 217 C THR X 26 40.609 20.636 18.119 1.00 16.49 C ATOM 218 O THR X 26 41.558 21.365 18.420 1.00 16.73 O ATOM 219 CB THR X 26 39.690 20.616 15.708 1.00 16.60 C ATOM 220 OG1 THR X 26 38.646 21.166 14.899 1.00 15.65 O ATOM 221 CG2 THR X 26 39.661 19.095 15.596 1.00 15.52 C ATOM 0 H THR X 26 40.372 22.914 17.278 1.00 16.09 H new ATOM 0 HA THR X 26 38.667 20.793 17.501 1.00 16.18 H new ATOM 0 HB THR X 26 40.564 20.906 15.403 1.00 16.60 H new ATOM 0 HG1 THR X 26 38.829 21.964 14.710 1.00 15.65 H new ATOM 0 HG21 THR X 26 39.770 18.837 14.667 1.00 15.52 H new ATOM 0 HG22 THR X 26 40.382 18.718 16.123 1.00 15.52 H new ATOM 0 HG23 THR X 26 38.812 18.762 15.926 1.00 15.52 H new ATOM 222 N ILE X 27 40.498 19.403 18.607 1.00 16.06 N ATOM 223 CA ILE X 27 41.604 18.811 19.354 1.00 16.76 C ATOM 224 C ILE X 27 41.647 17.295 19.113 1.00 16.05 C ATOM 225 O ILE X 27 40.673 16.733 18.614 1.00 15.74 O ATOM 226 CB ILE X 27 41.484 19.120 20.870 1.00 16.52 C ATOM 227 CG1 ILE X 27 42.865 18.995 21.565 1.00 17.89 C ATOM 228 CG2 ILE X 27 40.358 18.289 21.506 1.00 17.57 C ATOM 229 CD1 ILE X 27 43.039 19.827 22.855 1.00 17.84 C ATOM 0 H ILE X 27 39.805 18.901 18.519 1.00 16.06 H new ATOM 0 HA ILE X 27 42.432 19.204 19.037 1.00 16.76 H new ATOM 0 HB ILE X 27 41.219 20.044 21.000 1.00 16.52 H new ATOM 0 HG12 ILE X 27 43.019 18.061 21.778 1.00 17.89 H new ATOM 0 HG13 ILE X 27 43.552 19.259 20.934 1.00 17.89 H new ATOM 0 HG21 ILE X 27 40.298 18.495 22.452 1.00 17.57 H new ATOM 0 HG22 ILE X 27 39.515 18.502 21.075 1.00 17.57 H new ATOM 0 HG23 ILE X 27 40.549 17.345 21.393 1.00 17.57 H new ATOM 0 HD11 ILE X 27 43.928 19.684 23.215 1.00 17.84 H new ATOM 0 HD12 ILE X 27 42.920 20.768 22.652 1.00 17.84 H new ATOM 0 HD13 ILE X 27 42.378 19.552 23.509 1.00 17.84 H new ATOM 230 N GLY X 28 42.754 16.648 19.473 1.00 15.34 N ATOM 231 CA GLY X 28 42.806 15.167 19.510 1.00 15.18 C ATOM 232 C GLY X 28 42.848 14.603 18.099 1.00 15.08 C ATOM 233 O GLY X 28 43.608 15.085 17.247 1.00 15.01 O ATOM 0 H GLY X 28 43.487 17.037 19.700 1.00 15.34 H new ATOM 0 HA2 GLY X 28 43.589 14.877 20.004 1.00 15.18 H new ATOM 0 HA3 GLY X 28 42.031 14.822 19.980 1.00 15.18 H new ATOM 234 N ILE X 29 41.984 13.620 17.859 1.00 14.56 N ATOM 235 CA ILE X 29 41.854 12.978 16.546 1.00 15.54 C ATOM 236 C ILE X 29 40.614 13.561 15.858 1.00 15.15 C ATOM 237 O ILE X 29 39.557 12.948 15.804 1.00 15.45 O ATOM 238 CB ILE X 29 41.848 11.426 16.696 1.00 14.86 C ATOM 239 CG1 ILE X 29 43.044 10.976 17.558 1.00 15.52 C ATOM 240 CG2 ILE X 29 41.893 10.738 15.335 1.00 13.97 C ATOM 241 CD1 ILE X 29 42.910 9.583 18.161 1.00 17.69 C ATOM 0 H ILE X 29 41.452 13.303 18.455 1.00 14.56 H new ATOM 0 HA ILE X 29 42.616 13.165 15.975 1.00 15.54 H new ATOM 0 HB ILE X 29 41.022 11.168 17.134 1.00 14.86 H new ATOM 0 HG12 ILE X 29 43.847 11.003 17.014 1.00 15.52 H new ATOM 0 HG13 ILE X 29 43.167 11.615 18.277 1.00 15.52 H new ATOM 0 HG21 ILE X 29 41.888 9.776 15.458 1.00 13.97 H new ATOM 0 HG22 ILE X 29 41.118 11.001 14.814 1.00 13.97 H new ATOM 0 HG23 ILE X 29 42.701 11.000 14.867 1.00 13.97 H new ATOM 0 HD11 ILE X 29 43.700 9.380 18.685 1.00 17.69 H new ATOM 0 HD12 ILE X 29 42.127 9.551 18.732 1.00 17.69 H new ATOM 0 HD13 ILE X 29 42.817 8.930 17.450 1.00 17.69 H new ATOM 242 N GLY X 30 40.735 14.812 15.397 1.00 15.45 N ATOM 243 CA GLY X 30 39.639 15.483 14.727 1.00 15.30 C ATOM 244 C GLY X 30 38.397 15.683 15.568 1.00 14.95 C ATOM 245 O GLY X 30 37.288 15.620 15.047 1.00 15.90 O ATOM 0 H GLY X 30 41.451 15.283 15.467 1.00 15.45 H new ATOM 0 HA2 GLY X 30 39.948 16.350 14.421 1.00 15.30 H new ATOM 0 HA3 GLY X 30 39.399 14.972 13.938 1.00 15.30 H new ATOM 246 N HIS X 31 38.566 15.897 16.874 1.00 15.61 N ATOM 247 CA HIS X 31 37.393 16.214 17.704 1.00 15.21 C ATOM 248 C HIS X 31 37.049 17.699 17.578 1.00 15.25 C ATOM 249 O HIS X 31 37.714 18.546 18.181 1.00 14.02 O ATOM 250 CB HIS X 31 37.572 15.860 19.183 1.00 15.18 C ATOM 251 CG HIS X 31 36.344 16.173 19.985 1.00 16.49 C ATOM 252 ND1 HIS X 31 35.284 15.299 20.072 1.00 16.41 N ATOM 253 CD2 HIS X 31 35.965 17.295 20.651 1.00 18.16 C ATOM 254 CE1 HIS X 31 34.319 15.849 20.792 1.00 18.60 C ATOM 255 NE2 HIS X 31 34.705 17.065 21.148 1.00 15.93 N ATOM 0 H HIS X 31 39.318 15.866 17.289 1.00 15.61 H new ATOM 0 HA HIS X 31 36.669 15.663 17.368 1.00 15.21 H new ATOM 0 HB2 HIS X 31 37.781 14.916 19.266 1.00 15.18 H new ATOM 0 HB3 HIS X 31 38.327 16.350 19.544 1.00 15.18 H new ATOM 0 HD1 HIS X 31 35.254 14.517 19.714 1.00 16.41 H new ATOM 0 HD2 HIS X 31 36.465 18.073 20.752 1.00 18.16 H new ATOM 0 HE1 HIS X 31 33.508 15.450 21.011 1.00 18.60 H new ATOM 0 HE2 HIS X 31 34.242 17.620 21.614 1.00 15.93 H new ATOM 256 N LEU X 32 36.027 18.002 16.782 1.00 15.67 N ATOM 257 CA LEU X 32 35.558 19.377 16.604 1.00 16.64 C ATOM 258 C LEU X 32 35.040 19.915 17.935 1.00 17.21 C ATOM 259 O LEU X 32 34.169 19.291 18.585 1.00 17.50 O ATOM 260 CB LEU X 32 34.467 19.444 15.521 1.00 16.38 C ATOM 261 CG LEU X 32 33.813 20.825 15.392 1.00 17.01 C ATOM 262 CD1 LEU X 32 34.861 21.825 14.869 1.00 15.24 C ATOM 263 CD2 LEU X 32 32.580 20.778 14.510 1.00 17.96 C ATOM 0 H LEU X 32 35.586 17.419 16.330 1.00 15.67 H new ATOM 0 HA LEU X 32 36.299 19.930 16.309 1.00 16.64 H new ATOM 0 HB2 LEU X 32 34.854 19.197 14.667 1.00 16.38 H new ATOM 0 HB3 LEU X 32 33.782 18.788 15.722 1.00 16.38 H new ATOM 0 HG LEU X 32 33.507 21.119 16.264 1.00 17.01 H new ATOM 0 HD11 LEU X 32 34.457 22.703 14.784 1.00 15.24 H new ATOM 0 HD12 LEU X 32 35.604 21.871 15.491 1.00 15.24 H new ATOM 0 HD13 LEU X 32 35.183 21.532 14.002 1.00 15.24 H new ATOM 0 HD21 LEU X 32 32.191 21.665 14.449 1.00 17.96 H new ATOM 0 HD22 LEU X 32 32.828 20.473 13.623 1.00 17.96 H new ATOM 0 HD23 LEU X 32 31.931 20.167 14.893 1.00 17.96 H new ATOM 264 N LEU X 33 35.571 21.056 18.360 1.00 17.35 N ATOM 265 CA LEU X 33 35.155 21.625 19.639 1.00 18.99 C ATOM 266 C LEU X 33 33.975 22.580 19.482 1.00 20.74 C ATOM 267 O LEU X 33 33.022 22.546 20.270 1.00 21.72 O ATOM 268 CB LEU X 33 36.337 22.315 20.303 1.00 18.10 C ATOM 269 CG LEU X 33 37.403 21.352 20.837 1.00 18.68 C ATOM 270 CD1 LEU X 33 38.668 22.152 21.161 1.00 17.82 C ATOM 271 CD2 LEU X 33 36.864 20.596 22.090 1.00 17.07 C ATOM 0 H LEU X 33 36.163 21.510 17.933 1.00 17.35 H new ATOM 0 HA LEU X 33 34.852 20.901 20.208 1.00 18.99 H new ATOM 0 HB2 LEU X 33 36.749 22.916 19.663 1.00 18.10 H new ATOM 0 HB3 LEU X 33 36.011 22.860 21.036 1.00 18.10 H new ATOM 0 HG LEU X 33 37.619 20.684 20.168 1.00 18.68 H new ATOM 0 HD11 LEU X 33 39.352 21.553 21.500 1.00 17.82 H new ATOM 0 HD12 LEU X 33 38.991 22.588 20.357 1.00 17.82 H new ATOM 0 HD13 LEU X 33 38.464 22.823 21.832 1.00 17.82 H new ATOM 0 HD21 LEU X 33 37.545 19.990 22.420 1.00 17.07 H new ATOM 0 HD22 LEU X 33 36.639 21.237 22.783 1.00 17.07 H new ATOM 0 HD23 LEU X 33 36.072 20.091 21.848 1.00 17.07 H new ATOM 272 N THR X 34 34.047 23.436 18.463 1.00 21.87 N ATOM 273 CA THR X 34 33.050 24.481 18.249 1.00 22.73 C ATOM 274 C THR X 34 33.301 25.133 16.908 1.00 23.56 C ATOM 275 O THR X 34 34.437 25.164 16.441 1.00 23.54 O ATOM 276 CB THR X 34 33.114 25.577 19.375 1.00 23.54 C ATOM 277 OG1 THR X 34 32.061 26.537 19.186 1.00 23.17 O ATOM 278 CG2 THR X 34 34.474 26.291 19.397 1.00 22.56 C ATOM 0 H THR X 34 34.676 23.426 17.877 1.00 21.87 H new ATOM 0 HA THR X 34 32.170 24.073 18.273 1.00 22.73 H new ATOM 0 HB THR X 34 32.999 25.131 20.229 1.00 23.54 H new ATOM 0 HG1 THR X 34 31.320 26.142 19.178 1.00 23.17 H new ATOM 0 HG21 THR X 34 34.478 26.958 20.101 1.00 22.56 H new ATOM 0 HG22 THR X 34 35.177 25.643 19.562 1.00 22.56 H new ATOM 0 HG23 THR X 34 34.627 26.723 18.542 1.00 22.56 H new ATOM 279 N LYS X 35 32.246 25.674 16.305 1.00 24.82 N ATOM 280 CA LYS X 35 32.389 26.489 15.091 1.00 25.97 C ATOM 281 C LYS X 35 32.575 27.974 15.424 1.00 26.17 C ATOM 282 O LYS X 35 32.755 28.816 14.529 1.00 26.28 O ATOM 283 CB LYS X 35 31.209 26.252 14.145 1.00 26.33 C ATOM 284 CG LYS X 35 31.284 24.891 13.456 1.00 26.31 C ATOM 285 CD LYS X 35 30.229 24.727 12.355 1.00 27.80 C ATOM 286 CE LYS X 35 30.255 23.289 11.852 1.00 31.70 C ATOM 287 NZ LYS X 35 29.273 23.061 10.743 1.00 34.82 N ATOM 0 H LYS X 35 31.436 25.584 16.580 1.00 24.82 H new ATOM 0 HA LYS X 35 33.196 26.209 14.631 1.00 25.97 H new ATOM 0 HB2 LYS X 35 30.379 26.315 14.644 1.00 26.33 H new ATOM 0 HB3 LYS X 35 31.190 26.952 13.473 1.00 26.33 H new ATOM 0 HG2 LYS X 35 32.167 24.775 13.072 1.00 26.31 H new ATOM 0 HG3 LYS X 35 31.168 24.191 14.117 1.00 26.31 H new ATOM 0 HD2 LYS X 35 29.349 24.945 12.699 1.00 27.80 H new ATOM 0 HD3 LYS X 35 30.408 25.340 11.625 1.00 27.80 H new ATOM 0 HE2 LYS X 35 31.148 23.073 11.541 1.00 31.70 H new ATOM 0 HE3 LYS X 35 30.057 22.687 12.586 1.00 31.70 H new ATOM 0 HZ1 LYS X 35 29.317 22.213 10.477 1.00 34.82 H new ATOM 0 HZ2 LYS X 35 28.451 23.238 11.033 1.00 34.82 H new ATOM 0 HZ3 LYS X 35 29.467 23.597 10.059 1.00 34.82 H new ATOM 288 N SER X 36 32.562 28.294 16.713 1.00 26.10 N ATOM 289 CA SER X 36 32.774 29.672 17.146 1.00 26.54 C ATOM 290 C SER X 36 34.208 30.143 16.943 1.00 26.49 C ATOM 291 O SER X 36 35.164 29.388 17.174 1.00 25.56 O ATOM 292 CB SER X 36 32.350 29.883 18.598 1.00 26.43 C ATOM 293 OG SER X 36 32.981 31.029 19.128 1.00 27.31 O ATOM 0 H SER X 36 32.433 27.732 17.351 1.00 26.10 H new ATOM 0 HA SER X 36 32.207 30.215 16.576 1.00 26.54 H new ATOM 0 HB2 SER X 36 31.387 29.983 18.649 1.00 26.43 H new ATOM 0 HB3 SER X 36 32.583 29.104 19.127 1.00 26.43 H new ATOM 0 HG SER X 36 32.641 31.217 19.873 1.00 27.31 H new ATOM 294 N PRO X 37 34.368 31.404 16.492 1.00 26.55 N ATOM 295 CA PRO X 37 35.711 31.985 16.396 1.00 26.58 C ATOM 296 C PRO X 37 36.364 32.308 17.742 1.00 26.77 C ATOM 297 O PRO X 37 37.496 32.789 17.778 1.00 27.25 O ATOM 298 CB PRO X 37 35.477 33.270 15.589 1.00 26.86 C ATOM 299 CG PRO X 37 34.077 33.639 15.899 1.00 26.34 C ATOM 300 CD PRO X 37 33.326 32.337 16.013 1.00 26.39 C ATOM 0 HA PRO X 37 36.330 31.357 15.992 1.00 26.58 H new ATOM 0 HB2 PRO X 37 36.095 33.971 15.850 1.00 26.86 H new ATOM 0 HB3 PRO X 37 35.603 33.120 14.639 1.00 26.86 H new ATOM 0 HG2 PRO X 37 34.025 34.144 16.725 1.00 26.34 H new ATOM 0 HG3 PRO X 37 33.701 34.198 15.201 1.00 26.34 H new ATOM 0 HD2 PRO X 37 32.585 32.401 16.636 1.00 26.39 H new ATOM 0 HD3 PRO X 37 32.956 32.058 15.161 1.00 26.39 H new ATOM 301 N SER X 38 35.679 32.042 18.849 1.00 26.16 N ATOM 302 CA SER X 38 36.250 32.326 20.162 1.00 25.86 C ATOM 303 C SER X 38 37.074 31.161 20.736 1.00 25.44 C ATOM 304 O SER X 38 36.522 30.082 21.006 1.00 24.74 O ATOM 305 CB SER X 38 35.125 32.699 21.137 1.00 25.84 C ATOM 306 OG SER X 38 35.612 32.728 22.459 1.00 26.74 O ATOM 0 H SER X 38 34.890 31.700 18.863 1.00 26.16 H new ATOM 0 HA SER X 38 36.865 33.067 20.048 1.00 25.86 H new ATOM 0 HB2 SER X 38 34.759 33.566 20.902 1.00 25.84 H new ATOM 0 HB3 SER X 38 34.401 32.057 21.066 1.00 25.84 H new ATOM 0 HG SER X 38 34.989 32.934 22.983 1.00 26.74 H new ATOM 307 N LEU X 39 38.377 31.376 20.932 1.00 25.03 N ATOM 308 CA LEU X 39 39.244 30.368 21.563 1.00 25.21 C ATOM 309 C LEU X 39 38.779 30.035 22.986 1.00 25.00 C ATOM 310 O LEU X 39 38.860 28.871 23.421 1.00 23.01 O ATOM 311 CB LEU X 39 40.728 30.777 21.561 1.00 25.87 C ATOM 312 CG LEU X 39 41.692 29.753 22.190 1.00 25.93 C ATOM 313 CD1 LEU X 39 41.664 28.397 21.443 1.00 24.11 C ATOM 314 CD2 LEU X 39 43.114 30.286 22.299 1.00 26.01 C ATOM 0 H LEU X 39 38.782 32.100 20.707 1.00 25.03 H new ATOM 0 HA LEU X 39 39.166 29.568 21.020 1.00 25.21 H new ATOM 0 HB2 LEU X 39 41.003 30.938 20.645 1.00 25.87 H new ATOM 0 HB3 LEU X 39 40.817 31.618 22.036 1.00 25.87 H new ATOM 0 HG LEU X 39 41.372 29.600 23.093 1.00 25.93 H new ATOM 0 HD11 LEU X 39 42.282 27.781 21.867 1.00 24.11 H new ATOM 0 HD12 LEU X 39 40.767 28.028 21.475 1.00 24.11 H new ATOM 0 HD13 LEU X 39 41.925 28.531 20.519 1.00 24.11 H new ATOM 0 HD21 LEU X 39 43.683 29.610 22.699 1.00 26.01 H new ATOM 0 HD22 LEU X 39 43.446 30.506 21.415 1.00 26.01 H new ATOM 0 HD23 LEU X 39 43.120 31.082 22.853 1.00 26.01 H new ATOM 315 N ASN X 40 38.279 31.051 23.700 1.00 24.18 N ATOM 316 CA ASN X 40 37.737 30.819 25.030 1.00 24.55 C ATOM 317 C ASN X 40 36.530 29.874 24.985 1.00 23.64 C ATOM 318 O ASN X 40 36.402 28.996 25.847 1.00 24.41 O ATOM 319 CB ASN X 40 37.387 32.135 25.736 1.00 25.30 C ATOM 320 CG ASN X 40 38.599 32.796 26.379 1.00 27.62 C ATOM 321 OD1 ASN X 40 39.541 32.132 26.806 1.00 33.11 O ATOM 322 ND2 ASN X 40 38.568 34.118 26.457 1.00 32.24 N ATOM 0 H ASN X 40 38.247 31.867 23.432 1.00 24.18 H new ATOM 0 HA ASN X 40 38.431 30.386 25.552 1.00 24.55 H new ATOM 0 HB2 ASN X 40 36.992 32.746 25.095 1.00 25.30 H new ATOM 0 HB3 ASN X 40 36.717 31.965 26.416 1.00 25.30 H new ATOM 0 HD21 ASN X 40 39.223 34.543 26.817 1.00 32.24 H new ATOM 0 HD22 ASN X 40 37.893 34.551 26.148 1.00 32.24 H new ATOM 323 N ALA X 41 35.677 30.051 23.980 1.00 22.55 N ATOM 324 CA ALA X 41 34.508 29.191 23.775 1.00 22.11 C ATOM 325 C ALA X 41 34.957 27.751 23.526 1.00 21.39 C ATOM 326 O ALA X 41 34.374 26.809 24.064 1.00 20.43 O ATOM 327 CB ALA X 41 33.651 29.691 22.628 1.00 21.94 C ATOM 0 H ALA X 41 35.758 30.675 23.394 1.00 22.55 H new ATOM 0 HA ALA X 41 33.965 29.217 24.579 1.00 22.11 H new ATOM 0 HB1 ALA X 41 32.887 29.104 22.515 1.00 21.94 H new ATOM 0 HB2 ALA X 41 33.342 30.590 22.822 1.00 21.94 H new ATOM 0 HB3 ALA X 41 34.175 29.699 21.812 1.00 21.94 H new ATOM 328 N ALA X 42 36.006 27.601 22.719 1.00 20.51 N ATOM 329 CA ALA X 42 36.581 26.279 22.422 1.00 19.72 C ATOM 330 C ALA X 42 37.137 25.619 23.680 1.00 19.60 C ATOM 331 O ALA X 42 36.912 24.428 23.922 1.00 18.79 O ATOM 332 CB ALA X 42 37.693 26.416 21.350 1.00 20.07 C ATOM 0 H ALA X 42 36.405 28.255 22.328 1.00 20.51 H new ATOM 0 HA ALA X 42 35.873 25.712 22.079 1.00 19.72 H new ATOM 0 HB1 ALA X 42 38.068 25.542 21.159 1.00 20.07 H new ATOM 0 HB2 ALA X 42 37.316 26.790 20.538 1.00 20.07 H new ATOM 0 HB3 ALA X 42 38.392 27.001 21.681 1.00 20.07 H new ATOM 333 N LYS X 43 37.852 26.393 24.492 1.00 18.82 N ATOM 334 CA LYS X 43 38.429 25.868 25.732 1.00 19.45 C ATOM 335 C LYS X 43 37.326 25.432 26.688 1.00 18.24 C ATOM 336 O LYS X 43 37.477 24.428 27.370 1.00 18.71 O ATOM 337 CB LYS X 43 39.340 26.895 26.402 1.00 19.33 C ATOM 338 CG LYS X 43 40.678 27.036 25.692 1.00 23.35 C ATOM 339 CD LYS X 43 41.470 28.238 26.202 1.00 25.57 C ATOM 340 CE LYS X 43 42.923 28.142 25.736 1.00 27.37 C ATOM 341 NZ LYS X 43 43.767 29.253 26.263 1.00 30.42 N ATOM 0 H LYS X 43 38.016 27.224 24.345 1.00 18.82 H new ATOM 0 HA LYS X 43 38.970 25.096 25.504 1.00 19.45 H new ATOM 0 HB2 LYS X 43 38.894 27.756 26.420 1.00 19.33 H new ATOM 0 HB3 LYS X 43 39.492 26.635 27.324 1.00 19.33 H new ATOM 0 HG2 LYS X 43 41.199 26.228 25.821 1.00 23.35 H new ATOM 0 HG3 LYS X 43 40.529 27.128 24.738 1.00 23.35 H new ATOM 0 HD2 LYS X 43 41.071 29.060 25.876 1.00 25.57 H new ATOM 0 HD3 LYS X 43 41.435 28.271 27.171 1.00 25.57 H new ATOM 0 HE2 LYS X 43 43.296 27.293 26.022 1.00 27.37 H new ATOM 0 HE3 LYS X 43 42.950 28.151 24.766 1.00 27.37 H new ATOM 0 HZ1 LYS X 43 44.601 29.158 25.968 1.00 30.42 H new ATOM 0 HZ2 LYS X 43 43.441 30.032 25.983 1.00 30.42 H new ATOM 0 HZ3 LYS X 43 43.763 29.233 27.153 1.00 30.42 H new ATOM 342 N SER X 44 36.226 26.176 26.714 1.00 18.72 N ATOM 343 CA SER X 44 35.057 25.787 27.524 1.00 18.82 C ATOM 344 C SER X 44 34.493 24.425 27.082 1.00 18.03 C ATOM 345 O SER X 44 34.252 23.536 27.918 1.00 16.98 O ATOM 346 CB SER X 44 33.968 26.853 27.472 1.00 19.67 C ATOM 347 OG SER X 44 32.933 26.517 28.375 1.00 24.44 O ATOM 0 H SER X 44 36.129 26.909 26.274 1.00 18.72 H new ATOM 0 HA SER X 44 35.360 25.705 28.442 1.00 18.82 H new ATOM 0 HB2 SER X 44 34.340 27.720 27.699 1.00 19.67 H new ATOM 0 HB3 SER X 44 33.614 26.924 26.572 1.00 19.67 H new ATOM 0 HG SER X 44 32.441 25.930 28.031 1.00 24.44 H new ATOM 348 N GLU X 45 34.297 24.276 25.773 1.00 17.64 N ATOM 349 CA GLU X 45 33.796 23.024 25.201 1.00 18.12 C ATOM 350 C GLU X 45 34.756 21.873 25.524 1.00 17.56 C ATOM 351 O GLU X 45 34.317 20.768 25.901 1.00 18.40 O ATOM 352 CB GLU X 45 33.580 23.165 23.695 1.00 17.55 C ATOM 353 CG GLU X 45 32.392 24.046 23.291 1.00 19.54 C ATOM 354 CD GLU X 45 31.047 23.520 23.791 1.00 23.58 C ATOM 355 OE1 GLU X 45 30.754 22.303 23.657 1.00 24.22 O ATOM 356 OE2 GLU X 45 30.274 24.336 24.319 1.00 24.64 O ATOM 0 H GLU X 45 34.449 24.893 25.194 1.00 17.64 H new ATOM 0 HA GLU X 45 32.936 22.820 25.601 1.00 18.12 H new ATOM 0 HB2 GLU X 45 34.386 23.531 23.299 1.00 17.55 H new ATOM 0 HB3 GLU X 45 33.454 22.281 23.316 1.00 17.55 H new ATOM 0 HG2 GLU X 45 32.530 24.942 23.637 1.00 19.54 H new ATOM 0 HG3 GLU X 45 32.365 24.117 22.324 1.00 19.54 H new ATOM 357 N LEU X 46 36.056 22.137 25.397 1.00 16.83 N ATOM 358 CA LEU X 46 37.070 21.129 25.695 1.00 16.99 C ATOM 359 C LEU X 46 36.974 20.676 27.153 1.00 17.42 C ATOM 360 O LEU X 46 36.919 19.483 27.440 1.00 17.55 O ATOM 361 CB LEU X 46 38.473 21.639 25.382 1.00 16.65 C ATOM 362 CG LEU X 46 39.606 20.679 25.710 1.00 16.75 C ATOM 363 CD1 LEU X 46 39.419 19.312 25.032 1.00 17.77 C ATOM 364 CD2 LEU X 46 40.952 21.314 25.324 1.00 16.52 C ATOM 0 H LEU X 46 36.371 22.895 25.139 1.00 16.83 H new ATOM 0 HA LEU X 46 36.899 20.364 25.124 1.00 16.99 H new ATOM 0 HB2 LEU X 46 38.518 21.857 24.438 1.00 16.65 H new ATOM 0 HB3 LEU X 46 38.617 22.464 25.871 1.00 16.65 H new ATOM 0 HG LEU X 46 39.597 20.516 26.666 1.00 16.75 H new ATOM 0 HD11 LEU X 46 40.160 18.731 25.265 1.00 17.77 H new ATOM 0 HD12 LEU X 46 38.588 18.912 25.333 1.00 17.77 H new ATOM 0 HD13 LEU X 46 39.391 19.429 24.069 1.00 17.77 H new ATOM 0 HD21 LEU X 46 41.672 20.699 25.534 1.00 16.52 H new ATOM 0 HD22 LEU X 46 40.959 21.506 24.373 1.00 16.52 H new ATOM 0 HD23 LEU X 46 41.075 22.138 25.821 1.00 16.52 H new ATOM 365 N ASP X 47 36.936 21.636 28.069 1.00 17.14 N ATOM 366 CA ASP X 47 36.834 21.327 29.492 1.00 17.84 C ATOM 367 C ASP X 47 35.585 20.479 29.812 1.00 17.97 C ATOM 368 O ASP X 47 35.650 19.515 30.614 1.00 17.93 O ATOM 369 CB ASP X 47 36.827 22.632 30.304 1.00 18.51 C ATOM 370 CG ASP X 47 38.199 23.338 30.331 1.00 19.59 C ATOM 371 OD1 ASP X 47 39.232 22.808 29.841 1.00 20.96 O ATOM 372 OD2 ASP X 47 38.236 24.454 30.894 1.00 20.16 O ATOM 0 H ASP X 47 36.968 22.476 27.888 1.00 17.14 H new ATOM 0 HA ASP X 47 37.607 20.796 29.740 1.00 17.84 H new ATOM 0 HB2 ASP X 47 36.166 23.236 29.930 1.00 18.51 H new ATOM 0 HB3 ASP X 47 36.551 22.439 31.214 1.00 18.51 H new ATOM 373 N LYS X 48 34.470 20.832 29.176 1.00 17.77 N ATOM 374 CA LYS X 48 33.187 20.119 29.331 1.00 17.91 C ATOM 375 C LYS X 48 33.301 18.688 28.779 1.00 17.94 C ATOM 376 O LYS X 48 32.770 17.752 29.368 1.00 18.09 O ATOM 377 CB LYS X 48 32.058 20.906 28.648 1.00 17.50 C ATOM 378 CG LYS X 48 30.717 20.149 28.429 1.00 17.69 C ATOM 379 CD LYS X 48 29.549 21.112 28.060 1.00 18.80 C ATOM 380 CE LYS X 48 29.770 21.833 26.753 1.00 21.13 C ATOM 381 NZ LYS X 48 29.247 21.078 25.610 1.00 19.35 N ATOM 0 H LYS X 48 34.430 21.499 28.635 1.00 17.77 H new ATOM 0 HA LYS X 48 32.971 20.052 30.274 1.00 17.91 H new ATOM 0 HB2 LYS X 48 31.876 21.698 29.178 1.00 17.50 H new ATOM 0 HB3 LYS X 48 32.379 21.210 27.785 1.00 17.50 H new ATOM 0 HG2 LYS X 48 30.829 19.494 27.722 1.00 17.69 H new ATOM 0 HG3 LYS X 48 30.488 19.660 29.235 1.00 17.69 H new ATOM 0 HD2 LYS X 48 28.723 20.606 28.009 1.00 18.80 H new ATOM 0 HD3 LYS X 48 29.438 21.765 28.769 1.00 18.80 H new ATOM 0 HE2 LYS X 48 29.341 22.702 26.788 1.00 21.13 H new ATOM 0 HE3 LYS X 48 30.719 21.990 26.628 1.00 21.13 H new ATOM 0 HZ1 LYS X 48 29.634 21.366 24.862 1.00 19.35 H new ATOM 0 HZ2 LYS X 48 29.423 20.212 25.720 1.00 19.35 H new ATOM 0 HZ3 LYS X 48 28.367 21.197 25.553 1.00 19.35 H new ATOM 382 N ALA X 49 34.030 18.536 27.675 1.00 17.85 N ATOM 383 CA ALA X 49 34.215 17.217 27.026 1.00 18.24 C ATOM 384 C ALA X 49 35.070 16.254 27.862 1.00 18.71 C ATOM 385 O ALA X 49 34.779 15.053 27.943 1.00 19.46 O ATOM 386 CB ALA X 49 34.810 17.397 25.613 1.00 18.34 C ATOM 0 H ALA X 49 34.432 19.183 27.277 1.00 17.85 H new ATOM 0 HA ALA X 49 33.338 16.810 26.954 1.00 18.24 H new ATOM 0 HB1 ALA X 49 34.927 16.528 25.198 1.00 18.34 H new ATOM 0 HB2 ALA X 49 34.208 17.934 25.074 1.00 18.34 H new ATOM 0 HB3 ALA X 49 35.669 17.842 25.678 1.00 18.34 H new ATOM 387 N ILE X 50 36.103 16.795 28.500 1.00 18.54 N ATOM 388 CA ILE X 50 37.099 16.006 29.225 1.00 19.43 C ATOM 389 C ILE X 50 36.773 15.861 30.712 1.00 19.71 C ATOM 390 O ILE X 50 37.193 14.887 31.362 1.00 19.18 O ATOM 391 CB ILE X 50 38.504 16.683 29.080 1.00 19.12 C ATOM 392 CG1 ILE X 50 38.873 16.840 27.587 1.00 20.10 C ATOM 393 CG2 ILE X 50 39.589 15.942 29.893 1.00 21.54 C ATOM 394 CD1 ILE X 50 39.003 15.533 26.799 1.00 21.51 C ATOM 0 H ILE X 50 36.249 17.642 28.525 1.00 18.54 H new ATOM 0 HA ILE X 50 37.096 15.118 28.836 1.00 19.43 H new ATOM 0 HB ILE X 50 38.456 17.574 29.461 1.00 19.12 H new ATOM 0 HG12 ILE X 50 38.199 17.391 27.160 1.00 20.10 H new ATOM 0 HG13 ILE X 50 39.713 17.321 27.526 1.00 20.10 H new ATOM 0 HG21 ILE X 50 40.442 16.390 29.778 1.00 21.54 H new ATOM 0 HG22 ILE X 50 39.347 15.944 30.832 1.00 21.54 H new ATOM 0 HG23 ILE X 50 39.660 15.027 29.580 1.00 21.54 H new ATOM 0 HD11 ILE X 50 39.235 15.732 25.878 1.00 21.51 H new ATOM 0 HD12 ILE X 50 39.697 14.983 27.196 1.00 21.51 H new ATOM 0 HD13 ILE X 50 38.159 15.055 26.823 1.00 21.51 H new ATOM 395 N GLY X 51 36.047 16.843 31.251 1.00 19.77 N ATOM 396 CA GLY X 51 35.640 16.810 32.655 1.00 20.99 C ATOM 397 C GLY X 51 36.668 17.381 33.619 1.00 22.46 C ATOM 398 O GLY X 51 36.702 17.001 34.793 1.00 23.16 O ATOM 0 H GLY X 51 35.780 17.537 30.819 1.00 19.77 H new ATOM 0 HA2 GLY X 51 34.811 17.305 32.752 1.00 20.99 H new ATOM 0 HA3 GLY X 51 35.453 15.892 32.905 1.00 20.99 H new ATOM 399 N ARG X 52 37.521 18.280 33.131 1.00 22.22 N ATOM 400 CA ARG X 52 38.473 19.002 33.977 1.00 23.05 C ATOM 401 C ARG X 52 38.937 20.283 33.284 1.00 23.34 C ATOM 402 O ARG X 52 38.696 20.465 32.099 1.00 21.80 O ATOM 403 CB ARG X 52 39.691 18.136 34.284 1.00 23.06 C ATOM 404 CG ARG X 52 40.527 17.780 33.049 1.00 23.30 C ATOM 405 CD ARG X 52 41.717 16.929 33.388 1.00 24.07 C ATOM 406 NE ARG X 52 42.508 16.648 32.195 1.00 24.03 N ATOM 407 CZ ARG X 52 43.481 17.433 31.739 1.00 24.05 C ATOM 408 NH1 ARG X 52 43.783 18.570 32.362 1.00 22.69 N ATOM 409 NH2 ARG X 52 44.141 17.095 30.645 1.00 23.84 N ATOM 0 H ARG X 52 37.565 18.489 32.298 1.00 22.22 H new ATOM 0 HA ARG X 52 38.022 19.225 34.806 1.00 23.05 H new ATOM 0 HB2 ARG X 52 40.255 18.601 34.922 1.00 23.06 H new ATOM 0 HB3 ARG X 52 39.395 17.317 34.711 1.00 23.06 H new ATOM 0 HG2 ARG X 52 39.969 17.311 32.408 1.00 23.30 H new ATOM 0 HG3 ARG X 52 40.828 18.596 32.619 1.00 23.30 H new ATOM 0 HD2 ARG X 52 42.267 17.382 34.047 1.00 24.07 H new ATOM 0 HD3 ARG X 52 41.421 16.097 33.789 1.00 24.07 H new ATOM 0 HE ARG X 52 42.334 15.928 31.758 1.00 24.03 H new ATOM 0 HH11 ARG X 52 43.348 18.803 33.066 1.00 22.69 H new ATOM 0 HH12 ARG X 52 44.413 19.071 32.060 1.00 22.69 H new ATOM 0 HH21 ARG X 52 43.941 16.369 30.229 1.00 23.84 H new ATOM 0 HH22 ARG X 52 44.770 17.601 30.349 1.00 23.84 H new ATOM 410 N ASN X 53 39.637 21.140 34.030 1.00 23.93 N ATOM 411 CA ASN X 53 40.167 22.394 33.510 1.00 24.87 C ATOM 412 C ASN X 53 41.475 22.087 32.769 1.00 23.90 C ATOM 413 O ASN X 53 42.506 21.822 33.386 1.00 24.23 O ATOM 414 CB ASN X 53 40.387 23.364 34.697 1.00 26.28 C ATOM 415 CG ASN X 53 40.603 24.818 34.264 1.00 30.65 C ATOM 416 OD1 ASN X 53 40.805 25.049 32.968 1.00 36.65 O flip ATOM 417 ND2 ASN X 53 40.594 25.728 35.109 1.00 34.87 N flip ATOM 0 H ASN X 53 39.817 21.005 34.860 1.00 23.93 H new ATOM 0 HA ASN X 53 39.554 22.816 32.888 1.00 24.87 H new ATOM 0 HB2 ASN X 53 39.619 23.320 35.288 1.00 26.28 H new ATOM 0 HB3 ASN X 53 41.156 23.069 35.209 1.00 26.28 H new ATOM 0 HD21 ASN X 53 40.460 25.543 35.938 1.00 34.87 H new ATOM 0 HD22 ASN X 53 40.721 26.543 34.865 1.00 34.87 H new ATOM 418 N THR X 54 41.416 22.073 31.439 1.00 23.91 N ATOM 419 CA THR X 54 42.532 21.585 30.610 1.00 23.07 C ATOM 420 C THR X 54 43.479 22.685 30.142 1.00 24.47 C ATOM 421 O THR X 54 44.629 22.404 29.753 1.00 24.66 O ATOM 422 CB THR X 54 42.029 20.892 29.313 1.00 22.93 C ATOM 423 OG1 THR X 54 41.392 21.859 28.467 1.00 21.50 O ATOM 424 CG2 THR X 54 41.071 19.738 29.638 1.00 21.05 C ATOM 0 H THR X 54 40.735 22.343 30.989 1.00 23.91 H new ATOM 0 HA THR X 54 42.999 20.970 31.197 1.00 23.07 H new ATOM 0 HB THR X 54 42.791 20.515 28.846 1.00 22.93 H new ATOM 0 HG1 THR X 54 40.711 22.164 28.853 1.00 21.50 H new ATOM 0 HG21 THR X 54 40.772 19.323 28.814 1.00 21.05 H new ATOM 0 HG22 THR X 54 41.530 19.080 30.183 1.00 21.05 H new ATOM 0 HG23 THR X 54 40.304 20.081 30.123 1.00 21.05 H new ATOM 425 N ASN X 55 42.969 23.917 30.137 1.00 24.87 N ATOM 426 CA ASN X 55 43.610 25.049 29.457 1.00 25.23 C ATOM 427 C ASN X 55 44.163 24.700 28.058 1.00 25.21 C ATOM 428 O ASN X 55 45.309 25.032 27.721 1.00 26.34 O ATOM 429 CB ASN X 55 44.669 25.720 30.342 0.50 24.96 C ATOM 430 CG ASN X 55 45.065 27.107 29.832 0.50 24.44 C ATOM 431 OD1 ASN X 55 44.241 27.857 29.303 0.50 23.00 O ATOM 432 ND2 ASN X 55 46.330 27.441 29.981 0.50 23.59 N ATOM 0 H ASN X 55 42.233 24.123 30.532 1.00 24.87 H new ATOM 0 HA ASN X 55 42.904 25.696 29.302 1.00 25.23 H new ATOM 0 HB2 ASN X 55 44.329 25.796 31.247 0.50 24.96 H new ATOM 0 HB3 ASN X 55 45.457 25.156 30.382 0.50 24.96 H new ATOM 0 HD21 ASN X 55 46.608 28.207 29.705 0.50 23.59 H new ATOM 0 HD22 ASN X 55 46.878 26.894 30.355 0.50 23.59 H new ATOM 433 N GLY X 56 43.341 24.008 27.271 1.00 24.33 N ATOM 434 CA GLY X 56 43.625 23.773 25.868 1.00 23.78 C ATOM 435 C GLY X 56 44.588 22.649 25.519 1.00 22.93 C ATOM 436 O GLY X 56 44.939 22.517 24.364 1.00 22.90 O ATOM 0 H GLY X 56 42.602 23.663 27.542 1.00 24.33 H new ATOM 0 HA2 GLY X 56 42.784 23.595 25.419 1.00 23.78 H new ATOM 0 HA3 GLY X 56 43.978 24.595 25.493 1.00 23.78 H new ATOM 437 N VAL X 57 45.014 21.849 26.502 1.00 22.49 N ATOM 438 CA VAL X 57 45.929 20.719 26.267 1.00 22.07 C ATOM 439 C VAL X 57 45.324 19.454 26.887 1.00 21.62 C ATOM 440 O VAL X 57 44.790 19.495 28.001 1.00 21.29 O ATOM 441 CB VAL X 57 47.345 20.949 26.879 1.00 23.14 C ATOM 442 CG1 VAL X 57 48.262 19.811 26.535 1.00 23.94 C ATOM 443 CG2 VAL X 57 47.953 22.244 26.376 1.00 23.17 C ATOM 0 H VAL X 57 44.782 21.944 27.325 1.00 22.49 H new ATOM 0 HA VAL X 57 46.037 20.629 25.307 1.00 22.07 H new ATOM 0 HB VAL X 57 47.240 21.001 27.842 1.00 23.14 H new ATOM 0 HG11 VAL X 57 49.136 19.971 26.923 1.00 23.94 H new ATOM 0 HG12 VAL X 57 47.898 18.984 26.888 1.00 23.94 H new ATOM 0 HG13 VAL X 57 48.345 19.742 25.571 1.00 23.94 H new ATOM 0 HG21 VAL X 57 48.831 22.364 26.770 1.00 23.17 H new ATOM 0 HG22 VAL X 57 48.034 22.210 25.410 1.00 23.17 H new ATOM 0 HG23 VAL X 57 47.383 22.988 26.626 1.00 23.17 H new ATOM 444 N ILE X 58 45.406 18.338 26.164 1.00 20.35 N ATOM 445 CA ILE X 58 44.957 17.040 26.686 1.00 19.08 C ATOM 446 C ILE X 58 46.043 15.967 26.509 1.00 19.62 C ATOM 447 O ILE X 58 47.047 16.173 25.811 1.00 19.62 O ATOM 448 CB ILE X 58 43.588 16.578 26.037 1.00 19.18 C ATOM 449 CG1 ILE X 58 43.750 16.287 24.527 1.00 18.85 C ATOM 450 CG2 ILE X 58 42.439 17.584 26.364 1.00 19.40 C ATOM 451 CD1 ILE X 58 42.516 15.726 23.855 1.00 17.36 C ATOM 0 H ILE X 58 45.720 18.308 25.364 1.00 20.35 H new ATOM 0 HA ILE X 58 44.797 17.155 27.636 1.00 19.08 H new ATOM 0 HB ILE X 58 43.325 15.736 26.440 1.00 19.18 H new ATOM 0 HG12 ILE X 58 44.003 17.108 24.077 1.00 18.85 H new ATOM 0 HG13 ILE X 58 44.481 15.661 24.407 1.00 18.85 H new ATOM 0 HG21 ILE X 58 41.614 17.278 25.955 1.00 19.40 H new ATOM 0 HG22 ILE X 58 42.322 17.640 27.325 1.00 19.40 H new ATOM 0 HG23 ILE X 58 42.666 18.460 26.015 1.00 19.40 H new ATOM 0 HD11 ILE X 58 42.701 15.573 22.915 1.00 17.36 H new ATOM 0 HD12 ILE X 58 42.270 14.888 24.277 1.00 17.36 H new ATOM 0 HD13 ILE X 58 41.785 16.357 23.942 1.00 17.36 H new ATOM 452 N THR X 59 45.847 14.811 27.133 1.00 19.22 N ATOM 453 CA THR X 59 46.789 13.721 26.965 1.00 19.93 C ATOM 454 C THR X 59 46.346 12.834 25.790 1.00 19.89 C ATOM 455 O THR X 59 45.226 12.964 25.278 1.00 19.38 O ATOM 456 CB THR X 59 46.850 12.848 28.238 1.00 20.30 C ATOM 457 OG1 THR X 59 45.562 12.261 28.444 1.00 20.49 O ATOM 458 CG2 THR X 59 47.229 13.687 29.453 1.00 20.34 C ATOM 0 H THR X 59 45.182 14.642 27.651 1.00 19.22 H new ATOM 0 HA THR X 59 47.665 14.102 26.794 1.00 19.93 H new ATOM 0 HB THR X 59 47.524 12.160 28.124 1.00 20.30 H new ATOM 0 HG1 THR X 59 45.483 12.034 29.249 1.00 20.49 H new ATOM 0 HG21 THR X 59 47.262 13.121 30.240 1.00 20.34 H new ATOM 0 HG22 THR X 59 48.099 14.090 29.309 1.00 20.34 H new ATOM 0 HG23 THR X 59 46.568 14.384 29.584 1.00 20.34 H new ATOM 459 N LYS X 60 47.220 11.911 25.394 1.00 19.79 N ATOM 460 CA LYS X 60 46.888 10.964 24.327 1.00 19.55 C ATOM 461 C LYS X 60 45.707 10.086 24.728 1.00 18.73 C ATOM 462 O LYS X 60 44.837 9.818 23.905 1.00 17.36 O ATOM 463 CB LYS X 60 48.090 10.103 23.967 1.00 19.92 C ATOM 464 CG LYS X 60 47.850 9.190 22.774 1.00 21.74 C ATOM 465 CD LYS X 60 49.147 8.487 22.421 1.00 25.91 C ATOM 466 CE LYS X 60 49.001 7.671 21.161 1.00 29.96 C ATOM 467 NZ LYS X 60 50.280 6.944 20.897 1.00 33.24 N ATOM 0 H LYS X 60 48.007 11.815 25.727 1.00 19.79 H new ATOM 0 HA LYS X 60 46.637 11.478 23.544 1.00 19.55 H new ATOM 0 HB2 LYS X 60 48.846 10.680 23.776 1.00 19.92 H new ATOM 0 HB3 LYS X 60 48.333 9.562 24.735 1.00 19.92 H new ATOM 0 HG2 LYS X 60 47.162 8.539 22.984 1.00 21.74 H new ATOM 0 HG3 LYS X 60 47.531 9.705 22.017 1.00 21.74 H new ATOM 0 HD2 LYS X 60 49.852 9.143 22.304 1.00 25.91 H new ATOM 0 HD3 LYS X 60 49.415 7.910 23.153 1.00 25.91 H new ATOM 0 HE2 LYS X 60 48.271 7.040 21.254 1.00 29.96 H new ATOM 0 HE3 LYS X 60 48.784 8.248 20.412 1.00 29.96 H new ATOM 0 HZ1 LYS X 60 50.199 6.461 20.154 1.00 33.24 H new ATOM 0 HZ2 LYS X 60 50.941 7.532 20.798 1.00 33.24 H new ATOM 0 HZ3 LYS X 60 50.463 6.406 21.582 1.00 33.24 H new ATOM 468 N ASP X 61 45.676 9.651 25.990 1.00 19.13 N ATOM 469 CA ASP X 61 44.570 8.821 26.476 1.00 19.77 C ATOM 470 C ASP X 61 43.252 9.574 26.371 1.00 18.85 C ATOM 471 O ASP X 61 42.235 9.010 25.958 1.00 17.76 O ATOM 472 CB ASP X 61 44.791 8.375 27.927 1.00 20.60 C ATOM 473 CG ASP X 61 45.866 7.307 28.059 1.00 25.24 C ATOM 474 OD1 ASP X 61 46.460 6.879 27.033 1.00 27.23 O ATOM 475 OD2 ASP X 61 46.112 6.891 29.213 1.00 29.46 O ATOM 0 H ASP X 61 46.281 9.824 26.577 1.00 19.13 H new ATOM 0 HA ASP X 61 44.537 8.030 25.916 1.00 19.77 H new ATOM 0 HB2 ASP X 61 45.038 9.145 28.463 1.00 20.60 H new ATOM 0 HB3 ASP X 61 43.957 8.035 28.287 1.00 20.60 H new ATOM 476 N GLU X 62 43.272 10.849 26.760 1.00 18.72 N ATOM 477 CA GLU X 62 42.077 11.665 26.680 1.00 18.21 C ATOM 478 C GLU X 62 41.656 11.839 25.217 1.00 17.13 C ATOM 479 O GLU X 62 40.484 11.754 24.902 1.00 17.18 O ATOM 480 CB GLU X 62 42.302 13.013 27.364 1.00 18.04 C ATOM 481 CG GLU X 62 42.470 12.871 28.877 1.00 20.60 C ATOM 482 CD GLU X 62 42.888 14.156 29.580 1.00 20.61 C ATOM 483 OE1 GLU X 62 43.498 15.049 28.944 1.00 19.10 O ATOM 484 OE2 GLU X 62 42.595 14.260 30.793 1.00 22.27 O ATOM 0 H GLU X 62 43.965 11.252 27.070 1.00 18.72 H new ATOM 0 HA GLU X 62 41.355 11.217 27.148 1.00 18.21 H new ATOM 0 HB2 GLU X 62 43.091 13.436 26.991 1.00 18.04 H new ATOM 0 HB3 GLU X 62 41.551 13.598 27.177 1.00 18.04 H new ATOM 0 HG2 GLU X 62 41.633 12.563 29.258 1.00 20.60 H new ATOM 0 HG3 GLU X 62 43.133 12.186 29.056 1.00 20.60 H new ATOM 485 N ALA X 63 42.622 12.077 24.335 1.00 16.19 N ATOM 486 CA ALA X 63 42.332 12.192 22.902 1.00 15.82 C ATOM 487 C ALA X 63 41.669 10.913 22.365 1.00 15.31 C ATOM 488 O ALA X 63 40.671 10.969 21.651 1.00 14.29 O ATOM 489 CB ALA X 63 43.607 12.523 22.128 1.00 15.93 C ATOM 0 H ALA X 63 43.451 12.175 24.542 1.00 16.19 H new ATOM 0 HA ALA X 63 41.702 12.919 22.775 1.00 15.82 H new ATOM 0 HB1 ALA X 63 43.402 12.596 21.183 1.00 15.93 H new ATOM 0 HB2 ALA X 63 43.970 13.365 22.446 1.00 15.93 H new ATOM 0 HB3 ALA X 63 44.260 11.819 22.263 1.00 15.93 H new ATOM 490 N GLU X 64 42.234 9.763 22.724 1.00 15.00 N ATOM 491 CA GLU X 64 41.688 8.487 22.280 1.00 15.37 C ATOM 492 C GLU X 64 40.303 8.228 22.879 1.00 14.73 C ATOM 493 O GLU X 64 39.446 7.645 22.222 1.00 14.20 O ATOM 494 CB GLU X 64 42.677 7.358 22.592 1.00 15.60 C ATOM 495 CG GLU X 64 43.878 7.415 21.675 1.00 17.20 C ATOM 496 CD GLU X 64 44.969 6.454 22.077 1.00 23.91 C ATOM 497 OE1 GLU X 64 44.908 5.897 23.200 1.00 24.58 O ATOM 498 OE2 GLU X 64 45.899 6.284 21.261 1.00 26.69 O ATOM 0 H GLU X 64 42.932 9.701 23.223 1.00 15.00 H new ATOM 0 HA GLU X 64 41.565 8.519 21.318 1.00 15.37 H new ATOM 0 HB2 GLU X 64 42.968 7.425 23.515 1.00 15.60 H new ATOM 0 HB3 GLU X 64 42.234 6.501 22.496 1.00 15.60 H new ATOM 0 HG2 GLU X 64 43.597 7.217 20.768 1.00 17.20 H new ATOM 0 HG3 GLU X 64 44.234 8.317 21.671 1.00 17.20 H new ATOM 499 N LYS X 65 40.076 8.668 24.120 1.00 15.23 N ATOM 500 CA LYS X 65 38.746 8.531 24.710 1.00 15.68 C ATOM 501 C LYS X 65 37.683 9.311 23.913 1.00 15.57 C ATOM 502 O LYS X 65 36.639 8.762 23.571 1.00 15.16 O ATOM 503 CB LYS X 65 38.749 8.942 26.192 1.00 16.61 C ATOM 504 CG LYS X 65 37.429 8.701 26.917 1.00 17.58 C ATOM 505 CD LYS X 65 37.604 9.152 28.358 1.00 20.72 C ATOM 506 CE LYS X 65 36.285 9.200 29.093 1.00 23.68 C ATOM 507 NZ LYS X 65 35.848 7.839 29.520 1.00 23.37 N ATOM 0 H LYS X 65 40.665 9.040 24.625 1.00 15.23 H new ATOM 0 HA LYS X 65 38.506 7.592 24.664 1.00 15.68 H new ATOM 0 HB2 LYS X 65 39.451 8.453 26.650 1.00 16.61 H new ATOM 0 HB3 LYS X 65 38.972 9.884 26.254 1.00 16.61 H new ATOM 0 HG2 LYS X 65 36.711 9.195 26.491 1.00 17.58 H new ATOM 0 HG3 LYS X 65 37.187 7.762 26.881 1.00 17.58 H new ATOM 0 HD2 LYS X 65 38.208 8.546 28.816 1.00 20.72 H new ATOM 0 HD3 LYS X 65 38.016 10.030 28.375 1.00 20.72 H new ATOM 0 HE2 LYS X 65 36.367 9.774 29.871 1.00 23.68 H new ATOM 0 HE3 LYS X 65 35.608 9.594 28.520 1.00 23.68 H new ATOM 0 HZ1 LYS X 65 35.355 7.903 30.258 1.00 23.37 H new ATOM 0 HZ2 LYS X 65 35.365 7.465 28.873 1.00 23.37 H new ATOM 0 HZ3 LYS X 65 36.563 7.335 29.684 1.00 23.37 H new ATOM 508 N LEU X 66 37.947 10.585 23.622 1.00 15.50 N ATOM 509 CA LEU X 66 37.011 11.372 22.792 1.00 15.18 C ATOM 510 C LEU X 66 36.807 10.729 21.420 1.00 14.82 C ATOM 511 O LEU X 66 35.685 10.702 20.881 1.00 14.22 O ATOM 512 CB LEU X 66 37.524 12.794 22.601 1.00 16.12 C ATOM 513 CG LEU X 66 37.568 13.761 23.794 1.00 16.70 C ATOM 514 CD1 LEU X 66 38.030 15.133 23.271 1.00 21.20 C ATOM 515 CD2 LEU X 66 36.217 13.884 24.511 1.00 18.87 C ATOM 0 H LEU X 66 38.646 11.011 23.886 1.00 15.50 H new ATOM 0 HA LEU X 66 36.162 11.392 23.260 1.00 15.18 H new ATOM 0 HB2 LEU X 66 38.425 12.731 22.248 1.00 16.12 H new ATOM 0 HB3 LEU X 66 36.978 13.208 21.914 1.00 16.12 H new ATOM 0 HG LEU X 66 38.188 13.413 24.454 1.00 16.70 H new ATOM 0 HD11 LEU X 66 38.067 15.764 24.007 1.00 21.20 H new ATOM 0 HD12 LEU X 66 38.911 15.048 22.874 1.00 21.20 H new ATOM 0 HD13 LEU X 66 37.404 15.452 22.602 1.00 21.20 H new ATOM 0 HD21 LEU X 66 36.299 14.504 25.253 1.00 18.87 H new ATOM 0 HD22 LEU X 66 35.549 14.212 23.889 1.00 18.87 H new ATOM 0 HD23 LEU X 66 35.947 13.014 24.845 1.00 18.87 H new ATOM 516 N PHE X 67 37.896 10.209 20.868 1.00 14.25 N ATOM 517 CA PHE X 67 37.873 9.589 19.534 1.00 14.75 C ATOM 518 C PHE X 67 36.917 8.398 19.513 1.00 15.67 C ATOM 519 O PHE X 67 36.048 8.294 18.638 1.00 15.32 O ATOM 520 CB PHE X 67 39.299 9.187 19.153 1.00 15.21 C ATOM 521 CG PHE X 67 39.429 8.561 17.778 1.00 16.44 C ATOM 522 CD1 PHE X 67 38.739 9.096 16.662 1.00 16.46 C ATOM 523 CD2 PHE X 67 40.271 7.448 17.604 1.00 16.91 C ATOM 524 CE1 PHE X 67 38.898 8.519 15.384 1.00 17.43 C ATOM 525 CE2 PHE X 67 40.431 6.870 16.346 1.00 18.16 C ATOM 526 CZ PHE X 67 39.745 7.412 15.240 1.00 16.14 C ATOM 0 H PHE X 67 38.668 10.202 21.248 1.00 14.25 H new ATOM 0 HA PHE X 67 37.545 10.223 18.877 1.00 14.75 H new ATOM 0 HB2 PHE X 67 39.866 9.973 19.193 1.00 15.21 H new ATOM 0 HB3 PHE X 67 39.634 8.561 19.814 1.00 15.21 H new ATOM 0 HD1 PHE X 67 38.179 9.830 16.772 1.00 16.46 H new ATOM 0 HD2 PHE X 67 40.725 7.095 18.335 1.00 16.91 H new ATOM 0 HE1 PHE X 67 38.448 8.868 14.649 1.00 17.43 H new ATOM 0 HE2 PHE X 67 40.986 6.132 16.237 1.00 18.16 H new ATOM 0 HZ PHE X 67 39.857 7.028 14.400 1.00 16.14 H new ATOM 527 N ASN X 68 37.062 7.509 20.491 1.00 16.15 N ATOM 528 CA ASN X 68 36.161 6.357 20.605 1.00 16.97 C ATOM 529 C ASN X 68 34.700 6.808 20.715 1.00 16.59 C ATOM 530 O ASN X 68 33.812 6.248 20.072 1.00 16.69 O ATOM 531 CB ASN X 68 36.561 5.508 21.808 1.00 17.80 C ATOM 532 CG ASN X 68 35.927 4.093 21.796 1.00 21.69 C ATOM 533 OD1 ASN X 68 34.828 3.856 21.244 1.00 26.37 O ATOM 534 ND2 ASN X 68 36.610 3.161 22.430 1.00 26.48 N ATOM 0 H ASN X 68 37.671 7.551 21.097 1.00 16.15 H new ATOM 0 HA ASN X 68 36.240 5.820 19.801 1.00 16.97 H new ATOM 0 HB2 ASN X 68 37.527 5.423 21.829 1.00 17.80 H new ATOM 0 HB3 ASN X 68 36.299 5.967 22.622 1.00 17.80 H new ATOM 0 HD21 ASN X 68 36.304 2.359 22.475 1.00 26.48 H new ATOM 0 HD22 ASN X 68 37.362 3.355 22.799 1.00 26.48 H new ATOM 535 N GLN X 69 34.451 7.820 21.546 1.00 16.37 N ATOM 536 CA GLN X 69 33.108 8.363 21.673 1.00 15.60 C ATOM 537 C GLN X 69 32.574 8.895 20.348 1.00 15.85 C ATOM 538 O GLN X 69 31.416 8.664 20.023 1.00 15.00 O ATOM 539 CB GLN X 69 33.080 9.472 22.718 1.00 16.27 C ATOM 540 CG GLN X 69 33.255 8.908 24.108 1.00 14.68 C ATOM 541 CD GLN X 69 33.298 9.951 25.190 1.00 16.20 C ATOM 542 OE1 GLN X 69 33.375 11.236 24.805 1.00 17.01 O flip ATOM 543 NE2 GLN X 69 33.264 9.605 26.378 1.00 16.97 N flip ATOM 0 H GLN X 69 35.043 8.201 22.040 1.00 16.37 H new ATOM 0 HA GLN X 69 32.533 7.634 21.954 1.00 15.60 H new ATOM 0 HB2 GLN X 69 33.785 10.113 22.534 1.00 16.27 H new ATOM 0 HB3 GLN X 69 32.239 9.952 22.663 1.00 16.27 H new ATOM 0 HG2 GLN X 69 32.527 8.294 24.292 1.00 14.68 H new ATOM 0 HG3 GLN X 69 34.076 8.392 24.137 1.00 14.68 H new ATOM 0 HE21 GLN X 69 33.215 8.771 26.582 1.00 16.97 H new ATOM 0 HE22 GLN X 69 33.290 10.199 27.000 1.00 16.97 H new ATOM 544 N ASP X 70 33.427 9.629 19.624 1.00 15.88 N ATOM 545 CA ASP X 70 33.069 10.232 18.341 1.00 16.46 C ATOM 546 C ASP X 70 32.748 9.191 17.265 1.00 16.10 C ATOM 547 O ASP X 70 31.766 9.348 16.517 1.00 16.98 O ATOM 548 CB ASP X 70 34.201 11.151 17.867 1.00 15.63 C ATOM 549 CG ASP X 70 34.313 12.405 18.716 1.00 17.42 C ATOM 550 OD1 ASP X 70 33.393 12.686 19.531 1.00 14.24 O ATOM 551 OD2 ASP X 70 35.329 13.107 18.563 1.00 18.61 O ATOM 0 H ASP X 70 34.236 9.790 19.869 1.00 15.88 H new ATOM 0 HA ASP X 70 32.260 10.748 18.482 1.00 16.46 H new ATOM 0 HB2 ASP X 70 35.041 10.667 17.894 1.00 15.63 H new ATOM 0 HB3 ASP X 70 34.047 11.401 16.942 1.00 15.63 H new ATOM 552 N VAL X 71 33.549 8.128 17.215 1.00 16.73 N ATOM 553 CA VAL X 71 33.268 7.023 16.274 1.00 17.33 C ATOM 554 C VAL X 71 31.907 6.377 16.617 1.00 18.05 C ATOM 555 O VAL X 71 31.041 6.206 15.747 1.00 16.79 O ATOM 556 CB VAL X 71 34.404 5.960 16.277 1.00 17.89 C ATOM 557 CG1 VAL X 71 34.014 4.748 15.382 1.00 17.54 C ATOM 558 CG2 VAL X 71 35.749 6.574 15.831 1.00 18.42 C ATOM 0 H VAL X 71 34.248 8.020 17.704 1.00 16.73 H new ATOM 0 HA VAL X 71 33.227 7.392 15.378 1.00 17.33 H new ATOM 0 HB VAL X 71 34.519 5.643 17.186 1.00 17.89 H new ATOM 0 HG11 VAL X 71 34.730 4.094 15.393 1.00 17.54 H new ATOM 0 HG12 VAL X 71 33.201 4.343 15.722 1.00 17.54 H new ATOM 0 HG13 VAL X 71 33.867 5.051 14.472 1.00 17.54 H new ATOM 0 HG21 VAL X 71 36.437 5.890 15.843 1.00 18.42 H new ATOM 0 HG22 VAL X 71 35.661 6.928 14.932 1.00 18.42 H new ATOM 0 HG23 VAL X 71 35.995 7.290 16.438 1.00 18.42 H new ATOM 559 N ASP X 72 31.737 6.030 17.900 1.00 18.10 N ATOM 560 CA ASP X 72 30.519 5.419 18.420 1.00 19.91 C ATOM 561 C ASP X 72 29.307 6.274 18.045 1.00 19.67 C ATOM 562 O ASP X 72 28.325 5.774 17.495 1.00 19.26 O ATOM 563 CB ASP X 72 30.654 5.273 19.947 1.00 20.68 C ATOM 564 CG ASP X 72 29.705 4.259 20.540 1.00 25.86 C ATOM 565 OD1 ASP X 72 28.905 3.645 19.802 1.00 28.91 O ATOM 566 OD2 ASP X 72 29.751 4.089 21.777 1.00 29.96 O ATOM 0 H ASP X 72 32.342 6.148 18.499 1.00 18.10 H new ATOM 0 HA ASP X 72 30.389 4.540 18.032 1.00 19.91 H new ATOM 0 HB2 ASP X 72 31.565 5.017 20.161 1.00 20.68 H new ATOM 0 HB3 ASP X 72 30.496 6.135 20.363 1.00 20.68 H new ATOM 567 N ALA X 73 29.414 7.579 18.287 1.00 19.56 N ATOM 568 CA ALA X 73 28.334 8.524 17.979 1.00 19.83 C ATOM 569 C ALA X 73 28.004 8.611 16.489 1.00 19.47 C ATOM 570 O ALA X 73 26.818 8.741 16.127 1.00 19.98 O ATOM 571 CB ALA X 73 28.670 9.916 18.528 1.00 20.89 C ATOM 0 H ALA X 73 30.112 7.944 18.633 1.00 19.56 H new ATOM 0 HA ALA X 73 27.540 8.179 18.416 1.00 19.83 H new ATOM 0 HB1 ALA X 73 27.949 10.530 18.318 1.00 20.89 H new ATOM 0 HB2 ALA X 73 28.781 9.866 19.490 1.00 20.89 H new ATOM 0 HB3 ALA X 73 29.493 10.234 18.124 1.00 20.89 H new ATOM 572 N ALA X 74 29.032 8.539 15.637 1.00 17.98 N ATOM 573 CA ALA X 74 28.844 8.616 14.180 1.00 17.87 C ATOM 574 C ALA X 74 28.053 7.378 13.722 1.00 18.15 C ATOM 575 O ALA X 74 27.078 7.498 12.960 1.00 17.96 O ATOM 576 CB ALA X 74 30.177 8.676 13.472 1.00 17.06 C ATOM 0 H ALA X 74 29.851 8.445 15.883 1.00 17.98 H new ATOM 0 HA ALA X 74 28.354 9.423 13.959 1.00 17.87 H new ATOM 0 HB1 ALA X 74 30.033 8.726 12.514 1.00 17.06 H new ATOM 0 HB2 ALA X 74 30.665 9.461 13.767 1.00 17.06 H new ATOM 0 HB3 ALA X 74 30.690 7.880 13.680 1.00 17.06 H new ATOM 577 N VAL X 75 28.488 6.211 14.204 1.00 17.54 N ATOM 578 CA VAL X 75 27.800 4.942 13.902 1.00 18.93 C ATOM 579 C VAL X 75 26.344 5.008 14.386 1.00 18.98 C ATOM 580 O VAL X 75 25.408 4.689 13.635 1.00 18.41 O ATOM 581 CB VAL X 75 28.517 3.745 14.546 1.00 18.89 C ATOM 582 CG1 VAL X 75 27.664 2.449 14.362 1.00 20.27 C ATOM 583 CG2 VAL X 75 29.871 3.576 13.930 1.00 19.13 C ATOM 0 H VAL X 75 29.180 6.128 14.708 1.00 17.54 H new ATOM 0 HA VAL X 75 27.815 4.814 12.941 1.00 18.93 H new ATOM 0 HB VAL X 75 28.625 3.909 15.496 1.00 18.89 H new ATOM 0 HG11 VAL X 75 28.123 1.699 14.771 1.00 20.27 H new ATOM 0 HG12 VAL X 75 26.799 2.568 14.785 1.00 20.27 H new ATOM 0 HG13 VAL X 75 27.540 2.275 13.416 1.00 20.27 H new ATOM 0 HG21 VAL X 75 30.321 2.820 14.339 1.00 19.13 H new ATOM 0 HG22 VAL X 75 29.776 3.419 12.978 1.00 19.13 H new ATOM 0 HG23 VAL X 75 30.395 4.380 14.074 1.00 19.13 H new ATOM 584 N ARG X 76 26.162 5.423 15.638 1.00 20.07 N ATOM 585 CA ARG X 76 24.826 5.488 16.235 1.00 21.65 C ATOM 586 C ARG X 76 23.924 6.458 15.470 1.00 22.06 C ATOM 587 O ARG X 76 22.735 6.175 15.260 1.00 23.91 O ATOM 588 CB ARG X 76 24.909 5.836 17.731 1.00 22.30 C ATOM 589 CG ARG X 76 25.565 4.675 18.650 0.00 26.43 C ATOM 590 CD ARG X 76 25.517 4.981 20.189 0.00 27.71 C ATOM 591 NE ARG X 76 26.572 5.883 20.650 0.00 34.23 N ATOM 592 CZ ARG X 76 26.451 7.203 20.811 0.00 38.04 C ATOM 593 NH1 ARG X 76 25.301 7.831 20.528 0.00 39.20 N ATOM 594 NH2 ARG X 76 27.486 7.903 21.269 0.00 40.60 N ATOM 0 H ARG X 76 26.798 5.672 16.160 1.00 20.07 H new ATOM 0 HA ARG X 76 24.421 4.609 16.165 1.00 21.65 H new ATOM 0 HB2 ARG X 76 25.429 6.648 17.835 1.00 22.30 H new ATOM 0 HB3 ARG X 76 24.016 6.027 18.058 1.00 22.30 H new ATOM 0 HG2 ARG X 76 25.102 3.840 18.480 0.00 26.43 H new ATOM 0 HG3 ARG X 76 26.489 4.546 18.383 0.00 26.43 H new ATOM 0 HD2 ARG X 76 24.655 5.369 20.405 0.00 27.71 H new ATOM 0 HD3 ARG X 76 25.582 4.146 20.678 0.00 27.71 H new ATOM 0 HE ARG X 76 27.336 5.533 20.833 0.00 34.23 H new ATOM 0 HH11 ARG X 76 24.627 7.383 20.238 0.00 39.20 H new ATOM 0 HH12 ARG X 76 25.238 8.682 20.637 0.00 39.20 H new ATOM 0 HH21 ARG X 76 28.224 7.505 21.458 0.00 40.60 H new ATOM 0 HH22 ARG X 76 27.416 8.754 21.376 0.00 40.60 H new ATOM 595 N GLY X 77 24.501 7.559 15.001 1.00 22.17 N ATOM 596 CA GLY X 77 23.807 8.515 14.139 1.00 22.11 C ATOM 597 C GLY X 77 23.339 7.922 12.819 1.00 22.03 C ATOM 598 O GLY X 77 22.183 8.127 12.398 1.00 22.58 O ATOM 0 H GLY X 77 25.315 7.776 15.175 1.00 22.17 H new ATOM 0 HA2 GLY X 77 23.040 8.870 14.615 1.00 22.11 H new ATOM 0 HA3 GLY X 77 24.398 9.262 13.957 1.00 22.11 H new ATOM 599 N ILE X 78 24.228 7.184 12.168 1.00 20.43 N ATOM 600 CA ILE X 78 23.889 6.494 10.931 1.00 20.03 C ATOM 601 C ILE X 78 22.665 5.593 11.138 1.00 20.25 C ATOM 602 O ILE X 78 21.701 5.656 10.361 1.00 19.79 O ATOM 603 CB ILE X 78 25.092 5.670 10.396 1.00 19.56 C ATOM 604 CG1 ILE X 78 26.117 6.603 9.712 1.00 20.01 C ATOM 605 CG2 ILE X 78 24.609 4.631 9.388 1.00 19.63 C ATOM 606 CD1 ILE X 78 27.547 6.023 9.590 1.00 19.29 C ATOM 0 H ILE X 78 25.040 7.069 12.428 1.00 20.43 H new ATOM 0 HA ILE X 78 23.671 7.165 10.265 1.00 20.03 H new ATOM 0 HB ILE X 78 25.515 5.222 11.145 1.00 19.56 H new ATOM 0 HG12 ILE X 78 25.794 6.821 8.824 1.00 20.01 H new ATOM 0 HG13 ILE X 78 26.161 7.434 10.210 1.00 20.01 H new ATOM 0 HG21 ILE X 78 25.367 4.122 9.060 1.00 19.63 H new ATOM 0 HG22 ILE X 78 23.979 4.032 9.818 1.00 19.63 H new ATOM 0 HG23 ILE X 78 24.174 5.078 8.645 1.00 19.63 H new ATOM 0 HD11 ILE X 78 28.122 6.669 9.152 1.00 19.29 H new ATOM 0 HD12 ILE X 78 27.894 5.829 10.475 1.00 19.29 H new ATOM 0 HD13 ILE X 78 27.522 5.206 9.067 1.00 19.29 H new ATOM 607 N LEU X 79 22.722 4.760 12.182 1.00 20.73 N ATOM 608 CA LEU X 79 21.654 3.782 12.468 1.00 22.21 C ATOM 609 C LEU X 79 20.303 4.435 12.824 1.00 22.84 C ATOM 610 O LEU X 79 19.244 3.838 12.590 1.00 23.51 O ATOM 611 CB LEU X 79 22.117 2.749 13.527 1.00 22.33 C ATOM 612 CG LEU X 79 23.412 1.974 13.186 1.00 23.57 C ATOM 613 CD1 LEU X 79 23.933 1.100 14.358 1.00 26.81 C ATOM 614 CD2 LEU X 79 23.281 1.132 11.909 1.00 24.18 C ATOM 0 H LEU X 79 23.374 4.743 12.743 1.00 20.73 H new ATOM 0 HA LEU X 79 21.486 3.301 11.642 1.00 22.21 H new ATOM 0 HB2 LEU X 79 22.248 3.211 14.370 1.00 22.33 H new ATOM 0 HB3 LEU X 79 21.402 2.108 13.664 1.00 22.33 H new ATOM 0 HG LEU X 79 24.075 2.664 13.024 1.00 23.57 H new ATOM 0 HD11 LEU X 79 24.743 0.641 14.085 1.00 26.81 H new ATOM 0 HD12 LEU X 79 24.124 1.665 15.123 1.00 26.81 H new ATOM 0 HD13 LEU X 79 23.258 0.447 14.600 1.00 26.81 H new ATOM 0 HD21 LEU X 79 24.116 0.668 11.740 1.00 24.18 H new ATOM 0 HD22 LEU X 79 22.568 0.484 12.020 1.00 24.18 H new ATOM 0 HD23 LEU X 79 23.076 1.712 11.159 1.00 24.18 H new ATOM 615 N ARG X 80 20.340 5.666 13.338 1.00 22.59 N ATOM 616 CA ARG X 80 19.116 6.417 13.679 1.00 23.22 C ATOM 617 C ARG X 80 18.596 7.270 12.534 1.00 23.32 C ATOM 618 O ARG X 80 17.542 7.921 12.649 1.00 23.24 O ATOM 619 CB ARG X 80 19.363 7.308 14.904 1.00 23.21 C ATOM 620 CG ARG X 80 19.361 6.519 16.214 1.00 26.56 C ATOM 621 CD ARG X 80 19.934 7.334 17.370 1.00 29.17 C ATOM 622 NE ARG X 80 20.241 6.494 18.534 1.00 33.96 N ATOM 0 H ARG X 80 21.069 6.092 13.500 1.00 22.59 H new ATOM 0 HA ARG X 80 18.436 5.753 13.874 1.00 23.22 H new ATOM 0 HB2 ARG X 80 20.215 7.761 14.804 1.00 23.21 H new ATOM 0 HB3 ARG X 80 18.680 7.995 14.943 1.00 23.21 H new ATOM 0 HG2 ARG X 80 18.454 6.249 16.427 1.00 26.56 H new ATOM 0 HG3 ARG X 80 19.880 5.707 16.103 1.00 26.56 H new ATOM 0 HD2 ARG X 80 20.740 7.787 17.077 1.00 29.17 H new ATOM 0 HD3 ARG X 80 19.299 8.021 17.626 1.00 29.17 H new ATOM 623 N ASN X 81 19.348 7.302 11.436 1.00 22.88 N ATOM 624 CA ASN X 81 18.969 8.113 10.287 1.00 22.65 C ATOM 625 C ASN X 81 18.260 7.270 9.238 1.00 22.83 C ATOM 626 O ASN X 81 18.823 6.299 8.731 1.00 23.28 O ATOM 627 CB ASN X 81 20.197 8.838 9.707 1.00 22.75 C ATOM 628 CG ASN X 81 19.836 9.801 8.593 1.00 22.63 C ATOM 629 OD1 ASN X 81 19.279 9.405 7.575 1.00 23.23 O ATOM 630 ND2 ASN X 81 20.155 11.075 8.782 1.00 23.41 N ATOM 0 H ASN X 81 20.080 6.861 11.338 1.00 22.88 H new ATOM 0 HA ASN X 81 18.342 8.792 10.581 1.00 22.65 H new ATOM 0 HB2 ASN X 81 20.646 9.324 10.416 1.00 22.75 H new ATOM 0 HB3 ASN X 81 20.827 8.181 9.370 1.00 22.75 H new ATOM 0 HD21 ASN X 81 19.971 11.659 8.178 1.00 23.41 H new ATOM 0 HD22 ASN X 81 20.545 11.317 9.509 1.00 23.41 H new ATOM 631 N ALA X 82 17.025 7.638 8.916 1.00 22.42 N ATOM 632 CA ALA X 82 16.178 6.835 8.023 1.00 23.13 C ATOM 633 C ALA X 82 16.696 6.717 6.591 1.00 22.97 C ATOM 634 O ALA X 82 16.401 5.744 5.908 1.00 23.65 O ATOM 635 CB ALA X 82 14.741 7.372 8.031 1.00 23.38 C ATOM 0 H ALA X 82 16.651 8.356 9.205 1.00 22.42 H new ATOM 0 HA ALA X 82 16.201 5.934 8.380 1.00 23.13 H new ATOM 0 HB1 ALA X 82 14.191 6.835 7.439 1.00 23.38 H new ATOM 0 HB2 ALA X 82 14.384 7.328 8.932 1.00 23.38 H new ATOM 0 HB3 ALA X 82 14.738 8.293 7.727 1.00 23.38 H new ATOM 636 N LYS X 83 17.466 7.706 6.141 1.00 22.61 N ATOM 637 CA LYS X 83 18.088 7.648 4.825 1.00 22.66 C ATOM 638 C LYS X 83 19.415 6.892 4.835 1.00 21.44 C ATOM 639 O LYS X 83 19.720 6.157 3.893 1.00 21.62 O ATOM 640 CB LYS X 83 18.284 9.052 4.257 1.00 23.77 C ATOM 641 CG LYS X 83 16.979 9.774 3.910 1.00 25.86 C ATOM 642 CD LYS X 83 17.274 11.144 3.316 1.00 29.61 C ATOM 0 H LYS X 83 17.640 8.421 6.586 1.00 22.61 H new ATOM 0 HA LYS X 83 17.481 7.154 4.252 1.00 22.66 H new ATOM 0 HB2 LYS X 83 18.776 9.585 4.901 1.00 23.77 H new ATOM 0 HB3 LYS X 83 18.832 8.994 3.459 1.00 23.77 H new ATOM 0 HG2 LYS X 83 16.467 9.244 3.279 1.00 25.86 H new ATOM 0 HG3 LYS X 83 16.434 9.871 4.707 1.00 25.86 H new ATOM 643 N LEU X 84 20.194 7.050 5.902 1.00 19.56 N ATOM 644 CA LEU X 84 21.502 6.422 5.961 1.00 18.64 C ATOM 645 C LEU X 84 21.449 4.938 6.326 1.00 18.08 C ATOM 646 O LEU X 84 22.175 4.137 5.747 1.00 17.32 O ATOM 647 CB LEU X 84 22.442 7.182 6.917 1.00 18.61 C ATOM 648 CG LEU X 84 22.723 8.660 6.581 1.00 19.61 C ATOM 649 CD1 LEU X 84 23.744 9.266 7.549 1.00 20.93 C ATOM 650 CD2 LEU X 84 23.217 8.777 5.136 1.00 19.72 C ATOM 0 H LEU X 84 19.983 7.514 6.595 1.00 19.56 H new ATOM 0 HA LEU X 84 21.860 6.471 5.061 1.00 18.64 H new ATOM 0 HB2 LEU X 84 22.064 7.141 7.809 1.00 18.61 H new ATOM 0 HB3 LEU X 84 23.290 6.711 6.946 1.00 18.61 H new ATOM 0 HG LEU X 84 21.897 9.159 6.677 1.00 19.61 H new ATOM 0 HD11 LEU X 84 23.901 10.194 7.315 1.00 20.93 H new ATOM 0 HD12 LEU X 84 23.401 9.215 8.455 1.00 20.93 H new ATOM 0 HD13 LEU X 84 24.577 8.773 7.491 1.00 20.93 H new ATOM 0 HD21 LEU X 84 23.393 9.708 4.928 1.00 19.72 H new ATOM 0 HD22 LEU X 84 24.033 8.263 5.030 1.00 19.72 H new ATOM 0 HD23 LEU X 84 22.539 8.434 4.533 1.00 19.72 H new ATOM 651 N LYS X 85 20.591 4.578 7.279 1.00 17.27 N ATOM 652 CA LYS X 85 20.606 3.208 7.802 1.00 17.80 C ATOM 653 C LYS X 85 20.488 2.113 6.728 1.00 17.30 C ATOM 654 O LYS X 85 21.284 1.170 6.749 1.00 17.47 O ATOM 655 CB LYS X 85 19.550 3.023 8.888 1.00 17.82 C ATOM 656 CG LYS X 85 19.536 1.620 9.494 1.00 19.12 C ATOM 657 CD LYS X 85 18.408 1.521 10.496 1.00 23.60 C ATOM 658 CE LYS X 85 18.439 0.204 11.250 1.00 25.68 C ATOM 659 NZ LYS X 85 18.307 -0.949 10.337 1.00 30.23 N ATOM 0 H LYS X 85 20.003 5.098 7.631 1.00 17.27 H new ATOM 0 HA LYS X 85 21.487 3.094 8.190 1.00 17.80 H new ATOM 0 HB2 LYS X 85 19.705 3.670 9.593 1.00 17.82 H new ATOM 0 HB3 LYS X 85 18.676 3.215 8.515 1.00 17.82 H new ATOM 0 HG2 LYS X 85 19.422 0.956 8.796 1.00 19.12 H new ATOM 0 HG3 LYS X 85 20.384 1.434 9.926 1.00 19.12 H new ATOM 0 HD2 LYS X 85 18.469 2.256 11.126 1.00 23.60 H new ATOM 0 HD3 LYS X 85 17.558 1.611 10.037 1.00 23.60 H new ATOM 0 HE2 LYS X 85 19.271 0.133 11.744 1.00 25.68 H new ATOM 0 HE3 LYS X 85 17.720 0.186 11.901 1.00 25.68 H new ATOM 0 HZ1 LYS X 85 18.183 -1.691 10.812 1.00 30.23 H new ATOM 0 HZ2 LYS X 85 17.611 -0.823 9.798 1.00 30.23 H new ATOM 0 HZ3 LYS X 85 19.048 -1.029 9.850 1.00 30.23 H new ATOM 660 N PRO X 86 19.483 2.201 5.830 1.00 17.19 N ATOM 661 CA PRO X 86 19.360 1.114 4.843 1.00 17.49 C ATOM 662 C PRO X 86 20.576 0.981 3.914 1.00 16.57 C ATOM 663 O PRO X 86 20.980 -0.131 3.555 1.00 16.93 O ATOM 664 CB PRO X 86 18.104 1.478 4.040 1.00 17.30 C ATOM 665 CG PRO X 86 17.799 2.928 4.369 1.00 19.19 C ATOM 666 CD PRO X 86 18.405 3.212 5.697 1.00 17.90 C ATOM 0 HA PRO X 86 19.305 0.253 5.287 1.00 17.49 H new ATOM 0 HB2 PRO X 86 18.255 1.363 3.089 1.00 17.30 H new ATOM 0 HB3 PRO X 86 17.360 0.904 4.281 1.00 17.30 H new ATOM 0 HG2 PRO X 86 18.166 3.518 3.692 1.00 19.19 H new ATOM 0 HG3 PRO X 86 16.841 3.081 4.390 1.00 19.19 H new ATOM 0 HD2 PRO X 86 18.758 4.114 5.739 1.00 17.90 H new ATOM 0 HD3 PRO X 86 17.752 3.129 6.409 1.00 17.90 H new ATOM 667 N VAL X 87 21.178 2.109 3.550 1.00 15.93 N ATOM 668 CA VAL X 87 22.377 2.066 2.725 1.00 16.09 C ATOM 669 C VAL X 87 23.522 1.400 3.506 1.00 15.81 C ATOM 670 O VAL X 87 24.208 0.504 3.004 1.00 15.91 O ATOM 671 CB VAL X 87 22.740 3.467 2.177 1.00 16.11 C ATOM 672 CG1 VAL X 87 23.929 3.353 1.217 1.00 15.94 C ATOM 673 CG2 VAL X 87 21.546 4.080 1.467 1.00 15.36 C ATOM 0 H VAL X 87 20.912 2.898 3.767 1.00 15.93 H new ATOM 0 HA VAL X 87 22.208 1.520 1.941 1.00 16.09 H new ATOM 0 HB VAL X 87 22.985 4.043 2.918 1.00 16.11 H new ATOM 0 HG11 VAL X 87 24.154 4.232 0.875 1.00 15.94 H new ATOM 0 HG12 VAL X 87 24.692 2.985 1.689 1.00 15.94 H new ATOM 0 HG13 VAL X 87 23.694 2.770 0.478 1.00 15.94 H new ATOM 0 HG21 VAL X 87 21.786 4.957 1.128 1.00 15.36 H new ATOM 0 HG22 VAL X 87 21.281 3.510 0.728 1.00 15.36 H new ATOM 0 HG23 VAL X 87 20.808 4.165 2.090 1.00 15.36 H new ATOM 674 N TYR X 88 23.716 1.830 4.753 1.00 15.83 N ATOM 675 CA TYR X 88 24.748 1.262 5.616 1.00 16.34 C ATOM 676 C TYR X 88 24.553 -0.247 5.790 1.00 16.61 C ATOM 677 O TYR X 88 25.504 -1.021 5.668 1.00 14.96 O ATOM 678 CB TYR X 88 24.694 1.944 6.981 1.00 17.14 C ATOM 679 CG TYR X 88 25.773 1.526 7.926 1.00 17.36 C ATOM 680 CD1 TYR X 88 27.042 2.123 7.874 1.00 17.16 C ATOM 681 CD2 TYR X 88 25.523 0.562 8.901 1.00 18.65 C ATOM 682 CE1 TYR X 88 28.052 1.745 8.755 1.00 19.05 C ATOM 683 CE2 TYR X 88 26.518 0.169 9.778 1.00 20.62 C ATOM 684 CZ TYR X 88 27.788 0.765 9.692 1.00 19.84 C ATOM 685 OH TYR X 88 28.773 0.400 10.566 1.00 20.67 O ATOM 0 H TYR X 88 23.255 2.456 5.120 1.00 15.83 H new ATOM 0 HA TYR X 88 25.612 1.411 5.202 1.00 16.34 H new ATOM 0 HB2 TYR X 88 24.746 2.904 6.852 1.00 17.14 H new ATOM 0 HB3 TYR X 88 23.833 1.759 7.388 1.00 17.14 H new ATOM 0 HD1 TYR X 88 27.211 2.782 7.240 1.00 17.16 H new ATOM 0 HD2 TYR X 88 24.678 0.179 8.963 1.00 18.65 H new ATOM 0 HE1 TYR X 88 28.890 2.146 8.713 1.00 19.05 H new ATOM 0 HE2 TYR X 88 26.348 -0.484 10.419 1.00 20.62 H new ATOM 0 HH TYR X 88 28.434 -0.014 11.213 1.00 20.67 H new ATOM 686 N ASP X 89 23.314 -0.647 6.060 1.00 17.01 N ATOM 687 CA ASP X 89 23.006 -2.081 6.259 1.00 17.86 C ATOM 688 C ASP X 89 23.320 -2.903 5.012 1.00 17.18 C ATOM 689 O ASP X 89 23.713 -4.073 5.108 1.00 17.47 O ATOM 690 CB ASP X 89 21.546 -2.262 6.663 1.00 17.89 C ATOM 691 CG ASP X 89 21.293 -1.916 8.129 1.00 20.02 C ATOM 692 OD1 ASP X 89 22.257 -1.787 8.912 1.00 22.65 O ATOM 693 OD2 ASP X 89 20.117 -1.791 8.490 1.00 23.58 O ATOM 0 H ASP X 89 22.639 -0.120 6.133 1.00 17.01 H new ATOM 0 HA ASP X 89 23.573 -2.406 6.976 1.00 17.86 H new ATOM 0 HB2 ASP X 89 20.987 -1.702 6.101 1.00 17.89 H new ATOM 0 HB3 ASP X 89 21.281 -3.181 6.501 1.00 17.89 H new ATOM 694 N SER X 90 23.193 -2.270 3.844 1.00 16.73 N ATOM 695 CA SER X 90 23.428 -2.936 2.561 1.00 16.46 C ATOM 696 C SER X 90 24.920 -3.168 2.256 1.00 16.17 C ATOM 697 O SER X 90 25.274 -3.977 1.393 1.00 15.99 O ATOM 698 CB SER X 90 22.787 -2.126 1.432 1.00 16.89 C ATOM 699 OG SER X 90 23.617 -1.042 1.031 1.00 16.84 O ATOM 0 H SER X 90 22.968 -1.443 3.774 1.00 16.73 H new ATOM 0 HA SER X 90 23.018 -3.813 2.624 1.00 16.46 H new ATOM 0 HB2 SER X 90 22.619 -2.705 0.672 1.00 16.89 H new ATOM 0 HB3 SER X 90 21.927 -1.786 1.724 1.00 16.89 H new ATOM 0 HG SER X 90 23.600 -0.443 1.620 1.00 16.84 H new ATOM 700 N LEU X 91 25.794 -2.419 2.940 1.00 15.15 N ATOM 701 CA LEU X 91 27.221 -2.448 2.648 1.00 15.72 C ATOM 702 C LEU X 91 27.938 -3.559 3.396 1.00 15.70 C ATOM 703 O LEU X 91 27.472 -3.998 4.456 1.00 16.15 O ATOM 704 CB LEU X 91 27.876 -1.106 3.040 1.00 15.15 C ATOM 705 CG LEU X 91 27.377 0.139 2.260 1.00 15.60 C ATOM 706 CD1 LEU X 91 28.019 1.381 2.909 1.00 15.11 C ATOM 707 CD2 LEU X 91 27.723 0.030 0.792 1.00 14.83 C ATOM 0 H LEU X 91 25.573 -1.887 3.579 1.00 15.15 H new ATOM 0 HA LEU X 91 27.305 -2.607 1.695 1.00 15.72 H new ATOM 0 HB2 LEU X 91 27.726 -0.956 3.986 1.00 15.15 H new ATOM 0 HB3 LEU X 91 28.835 -1.184 2.914 1.00 15.15 H new ATOM 0 HG LEU X 91 26.411 0.208 2.307 1.00 15.60 H new ATOM 0 HD11 LEU X 91 27.725 2.179 2.442 1.00 15.11 H new ATOM 0 HD12 LEU X 91 27.751 1.435 3.840 1.00 15.11 H new ATOM 0 HD13 LEU X 91 28.985 1.312 2.854 1.00 15.11 H new ATOM 0 HD21 LEU X 91 27.402 0.817 0.324 1.00 14.83 H new ATOM 0 HD22 LEU X 91 28.685 -0.036 0.690 1.00 14.83 H new ATOM 0 HD23 LEU X 91 27.303 -0.761 0.418 1.00 14.83 H new ATOM 708 N ASP X 92 29.063 -3.988 2.825 1.00 14.97 N ATOM 709 CA ASP X 92 30.088 -4.801 3.512 1.00 15.09 C ATOM 710 C ASP X 92 30.846 -3.930 4.542 1.00 15.44 C ATOM 711 O ASP X 92 30.761 -2.688 4.499 1.00 15.41 O ATOM 712 CB ASP X 92 31.119 -5.308 2.502 1.00 15.35 C ATOM 713 CG ASP X 92 31.793 -4.154 1.755 1.00 14.75 C ATOM 714 OD1 ASP X 92 31.192 -3.663 0.784 1.00 16.49 O ATOM 715 OD2 ASP X 92 32.898 -3.713 2.157 1.00 15.05 O ATOM 0 H ASP X 92 29.263 -3.813 2.007 1.00 14.97 H new ATOM 0 HA ASP X 92 29.641 -5.543 3.948 1.00 15.09 H new ATOM 0 HB2 ASP X 92 31.792 -5.833 2.962 1.00 15.35 H new ATOM 0 HB3 ASP X 92 30.686 -5.897 1.865 1.00 15.35 H new ATOM 716 N ALA X 93 31.595 -4.590 5.431 1.00 15.39 N ATOM 717 CA ALA X 93 32.291 -3.902 6.542 1.00 15.31 C ATOM 718 C ALA X 93 33.337 -2.843 6.120 1.00 15.60 C ATOM 719 O ALA X 93 33.489 -1.801 6.802 1.00 14.36 O ATOM 720 CB ALA X 93 32.901 -4.927 7.529 1.00 15.70 C ATOM 0 H ALA X 93 31.717 -5.441 5.413 1.00 15.39 H new ATOM 0 HA ALA X 93 31.598 -3.391 6.988 1.00 15.31 H new ATOM 0 HB1 ALA X 93 33.351 -4.456 8.248 1.00 15.70 H new ATOM 0 HB2 ALA X 93 32.195 -5.481 7.898 1.00 15.70 H new ATOM 0 HB3 ALA X 93 33.539 -5.487 7.060 1.00 15.70 H new ATOM 721 N VAL X 94 34.043 -3.099 5.029 1.00 15.06 N ATOM 722 CA VAL X 94 35.044 -2.126 4.536 1.00 14.94 C ATOM 723 C VAL X 94 34.337 -0.853 4.073 1.00 15.47 C ATOM 724 O VAL X 94 34.689 0.255 4.504 1.00 14.90 O ATOM 725 CB VAL X 94 35.989 -2.713 3.442 1.00 15.83 C ATOM 726 CG1 VAL X 94 36.953 -1.634 2.900 1.00 14.23 C ATOM 727 CG2 VAL X 94 36.803 -3.919 3.981 1.00 14.95 C ATOM 0 H VAL X 94 33.969 -3.814 4.557 1.00 15.06 H new ATOM 0 HA VAL X 94 35.632 -1.905 5.276 1.00 14.94 H new ATOM 0 HB VAL X 94 35.424 -3.022 2.716 1.00 15.83 H new ATOM 0 HG11 VAL X 94 37.528 -2.024 2.223 1.00 14.23 H new ATOM 0 HG12 VAL X 94 36.441 -0.909 2.510 1.00 14.23 H new ATOM 0 HG13 VAL X 94 37.496 -1.291 3.627 1.00 14.23 H new ATOM 0 HG21 VAL X 94 37.379 -4.260 3.279 1.00 14.95 H new ATOM 0 HG22 VAL X 94 37.345 -3.634 4.733 1.00 14.95 H new ATOM 0 HG23 VAL X 94 36.195 -4.618 4.268 1.00 14.95 H new ATOM 728 N ARG X 95 33.336 -0.998 3.211 1.00 14.50 N ATOM 729 CA ARG X 95 32.564 0.184 2.782 1.00 14.16 C ATOM 730 C ARG X 95 31.800 0.847 3.932 1.00 14.38 C ATOM 731 O ARG X 95 31.634 2.067 3.936 1.00 14.09 O ATOM 732 CB ARG X 95 31.650 -0.154 1.611 1.00 14.53 C ATOM 733 CG ARG X 95 32.464 -0.556 0.384 1.00 13.42 C ATOM 734 CD ARG X 95 31.509 -0.826 -0.745 1.00 13.46 C ATOM 735 NE ARG X 95 32.195 -1.039 -2.024 1.00 11.13 N ATOM 736 CZ ARG X 95 32.567 -2.228 -2.493 1.00 16.37 C ATOM 737 NH1 ARG X 95 32.378 -3.339 -1.771 1.00 16.23 N ATOM 738 NH2 ARG X 95 33.147 -2.305 -3.688 1.00 15.28 N ATOM 0 H ARG X 95 33.087 -1.746 2.867 1.00 14.50 H new ATOM 0 HA ARG X 95 33.207 0.843 2.477 1.00 14.16 H new ATOM 0 HB2 ARG X 95 31.054 -0.878 1.860 1.00 14.53 H new ATOM 0 HB3 ARG X 95 31.094 0.612 1.398 1.00 14.53 H new ATOM 0 HG2 ARG X 95 33.083 0.151 0.142 1.00 13.42 H new ATOM 0 HG3 ARG X 95 32.995 -1.345 0.574 1.00 13.42 H new ATOM 0 HD2 ARG X 95 30.976 -1.608 -0.533 1.00 13.46 H new ATOM 0 HD3 ARG X 95 30.896 -0.080 -0.831 1.00 13.46 H new ATOM 0 HE ARG X 95 32.369 -0.347 -2.504 1.00 11.13 H new ATOM 0 HH11 ARG X 95 32.012 -3.290 -0.994 1.00 16.23 H new ATOM 0 HH12 ARG X 95 32.622 -4.102 -2.084 1.00 16.23 H new ATOM 0 HH21 ARG X 95 33.278 -1.591 -4.149 1.00 15.28 H new ATOM 0 HH22 ARG X 95 33.391 -3.069 -3.999 1.00 15.28 H new ATOM 739 N ARG X 96 31.340 0.068 4.916 1.00 13.78 N ATOM 740 CA ARG X 96 30.808 0.675 6.150 1.00 13.93 C ATOM 741 C ARG X 96 31.812 1.662 6.803 1.00 14.36 C ATOM 742 O ARG X 96 31.419 2.726 7.286 1.00 13.50 O ATOM 743 CB ARG X 96 30.380 -0.397 7.149 1.00 14.12 C ATOM 744 CG ARG X 96 29.030 -0.949 6.800 1.00 13.92 C ATOM 745 CD ARG X 96 28.604 -2.100 7.723 1.00 13.24 C ATOM 746 NE ARG X 96 27.375 -2.718 7.226 1.00 15.57 N ATOM 747 CZ ARG X 96 26.897 -3.867 7.698 1.00 17.82 C ATOM 748 NH1 ARG X 96 27.549 -4.489 8.674 1.00 18.94 N ATOM 749 NH2 ARG X 96 25.791 -4.409 7.198 1.00 17.72 N ATOM 0 H ARG X 96 31.325 -0.792 4.895 1.00 13.78 H new ATOM 0 HA ARG X 96 30.026 1.189 5.894 1.00 13.93 H new ATOM 0 HB2 ARG X 96 31.033 -1.114 7.159 1.00 14.12 H new ATOM 0 HB3 ARG X 96 30.358 -0.021 8.043 1.00 14.12 H new ATOM 0 HG2 ARG X 96 28.371 -0.239 6.850 1.00 13.92 H new ATOM 0 HG3 ARG X 96 29.040 -1.262 5.882 1.00 13.92 H new ATOM 0 HD2 ARG X 96 29.310 -2.763 7.772 1.00 13.24 H new ATOM 0 HD3 ARG X 96 28.465 -1.767 8.623 1.00 13.24 H new ATOM 0 HE ARG X 96 26.941 -2.320 6.599 1.00 15.57 H new ATOM 0 HH11 ARG X 96 28.271 -4.149 8.994 1.00 18.94 H new ATOM 0 HH12 ARG X 96 27.249 -5.232 8.986 1.00 18.94 H new ATOM 0 HH21 ARG X 96 25.371 -4.017 6.558 1.00 17.72 H new ATOM 0 HH22 ARG X 96 25.495 -5.152 7.514 1.00 17.72 H new ATOM 750 N ALA X 97 33.085 1.280 6.855 1.00 14.45 N ATOM 751 CA ALA X 97 34.122 2.174 7.384 1.00 14.88 C ATOM 752 C ALA X 97 34.192 3.499 6.588 1.00 15.33 C ATOM 753 O ALA X 97 34.301 4.581 7.175 1.00 15.51 O ATOM 754 CB ALA X 97 35.483 1.472 7.402 1.00 14.91 C ATOM 0 H ALA X 97 33.372 0.513 6.592 1.00 14.45 H new ATOM 0 HA ALA X 97 33.881 2.397 8.297 1.00 14.88 H new ATOM 0 HB1 ALA X 97 36.155 2.077 7.754 1.00 14.91 H new ATOM 0 HB2 ALA X 97 35.433 0.683 7.964 1.00 14.91 H new ATOM 0 HB3 ALA X 97 35.725 1.211 6.500 1.00 14.91 H new ATOM 755 N ALA X 98 34.108 3.412 5.266 1.00 14.92 N ATOM 756 CA ALA X 98 34.109 4.631 4.431 1.00 14.70 C ATOM 757 C ALA X 98 32.918 5.552 4.767 1.00 15.07 C ATOM 758 O ALA X 98 33.066 6.776 4.847 1.00 14.09 O ATOM 759 CB ALA X 98 34.118 4.251 2.946 1.00 13.89 C ATOM 0 H ALA X 98 34.050 2.674 4.829 1.00 14.92 H new ATOM 0 HA ALA X 98 34.916 5.132 4.627 1.00 14.70 H new ATOM 0 HB1 ALA X 98 34.119 5.057 2.406 1.00 13.89 H new ATOM 0 HB2 ALA X 98 34.912 3.730 2.750 1.00 13.89 H new ATOM 0 HB3 ALA X 98 33.329 3.726 2.741 1.00 13.89 H new ATOM 760 N ALA X 99 31.742 4.943 4.947 1.00 14.44 N ATOM 761 CA ALA X 99 30.532 5.650 5.368 1.00 15.00 C ATOM 762 C ALA X 99 30.701 6.372 6.704 1.00 15.13 C ATOM 763 O ALA X 99 30.326 7.559 6.823 1.00 14.94 O ATOM 764 CB ALA X 99 29.311 4.666 5.421 1.00 15.46 C ATOM 0 H ALA X 99 31.625 4.100 4.826 1.00 14.44 H new ATOM 0 HA ALA X 99 30.361 6.334 4.702 1.00 15.00 H new ATOM 0 HB1 ALA X 99 28.518 5.149 5.701 1.00 15.46 H new ATOM 0 HB2 ALA X 99 29.163 4.286 4.541 1.00 15.46 H new ATOM 0 HB3 ALA X 99 29.496 3.954 6.054 1.00 15.46 H new ATOM 765 N ILE X 100 31.251 5.661 7.690 1.00 14.97 N ATOM 766 CA ILE X 100 31.526 6.249 9.009 1.00 14.75 C ATOM 767 C ILE X 100 32.492 7.415 8.893 1.00 14.45 C ATOM 768 O ILE X 100 32.267 8.462 9.520 1.00 14.55 O ATOM 769 CB ILE X 100 32.020 5.216 10.030 1.00 14.79 C ATOM 770 CG1 ILE X 100 30.969 4.096 10.237 1.00 14.38 C ATOM 771 CG2 ILE X 100 32.380 5.894 11.399 1.00 13.32 C ATOM 772 CD1 ILE X 100 31.596 2.812 10.850 1.00 14.43 C ATOM 0 H ILE X 100 31.474 4.834 7.617 1.00 14.97 H new ATOM 0 HA ILE X 100 30.681 6.584 9.347 1.00 14.75 H new ATOM 0 HB ILE X 100 32.828 4.815 9.673 1.00 14.79 H new ATOM 0 HG12 ILE X 100 30.264 4.420 10.819 1.00 14.38 H new ATOM 0 HG13 ILE X 100 30.557 3.879 9.386 1.00 14.38 H new ATOM 0 HG21 ILE X 100 32.688 5.219 12.023 1.00 13.32 H new ATOM 0 HG22 ILE X 100 33.081 6.550 11.261 1.00 13.32 H new ATOM 0 HG23 ILE X 100 31.594 6.332 11.760 1.00 13.32 H new ATOM 0 HD11 ILE X 100 30.908 2.138 10.963 1.00 14.43 H new ATOM 0 HD12 ILE X 100 32.285 2.473 10.257 1.00 14.43 H new ATOM 0 HD13 ILE X 100 31.987 3.022 11.713 1.00 14.43 H new ATOM 773 N ASN X 101 33.535 7.229 8.083 1.00 14.38 N ATOM 774 CA ASN X 101 34.552 8.251 7.855 1.00 14.47 C ATOM 775 C ASN X 101 33.892 9.582 7.397 1.00 15.02 C ATOM 776 O ASN X 101 34.138 10.645 7.993 1.00 14.50 O ATOM 777 CB ASN X 101 35.581 7.725 6.844 1.00 14.30 C ATOM 778 CG ASN X 101 36.827 8.574 6.780 1.00 14.71 C ATOM 779 OD1 ASN X 101 36.745 9.790 6.571 1.00 13.71 O ATOM 780 ND2 ASN X 101 37.987 7.950 6.945 1.00 15.09 N ATOM 0 H ASN X 101 33.671 6.500 7.648 1.00 14.38 H new ATOM 0 HA ASN X 101 35.020 8.445 8.682 1.00 14.47 H new ATOM 0 HB2 ASN X 101 35.826 6.817 7.081 1.00 14.30 H new ATOM 0 HB3 ASN X 101 35.174 7.689 5.964 1.00 14.30 H new ATOM 0 HD21 ASN X 101 38.723 8.394 6.908 1.00 15.09 H new ATOM 0 HD22 ASN X 101 38.003 7.102 7.089 1.00 15.09 H new ATOM 781 N MET X 102 33.039 9.511 6.376 1.00 14.35 N ATOM 782 CA MET X 102 32.338 10.708 5.888 1.00 16.06 C ATOM 783 C MET X 102 31.448 11.381 6.945 1.00 15.80 C ATOM 784 O MET X 102 31.436 12.610 7.064 1.00 16.53 O ATOM 785 CB MET X 102 31.523 10.388 4.628 1.00 15.07 C ATOM 786 CG MET X 102 32.377 10.024 3.428 1.00 15.97 C ATOM 787 SD MET X 102 31.416 9.910 1.907 1.00 17.54 S ATOM 788 CE MET X 102 30.957 11.591 1.508 1.00 17.66 C ATOM 0 H MET X 102 32.851 8.787 5.952 1.00 14.35 H new ATOM 0 HA MET X 102 33.033 11.349 5.670 1.00 16.06 H new ATOM 0 HB2 MET X 102 30.919 9.654 4.820 1.00 15.07 H new ATOM 0 HB3 MET X 102 30.974 11.155 4.404 1.00 15.07 H new ATOM 0 HG2 MET X 102 33.075 10.689 3.317 1.00 15.97 H new ATOM 0 HG3 MET X 102 32.817 9.176 3.593 1.00 15.97 H new ATOM 0 HE1 MET X 102 30.433 11.599 0.692 1.00 17.66 H new ATOM 0 HE2 MET X 102 30.431 11.964 2.233 1.00 17.66 H new ATOM 0 HE3 MET X 102 31.758 12.124 1.383 1.00 17.66 H new ATOM 789 N VAL X 103 30.698 10.580 7.700 1.00 15.67 N ATOM 790 CA VAL X 103 29.848 11.126 8.768 1.00 15.98 C ATOM 791 C VAL X 103 30.696 11.812 9.850 1.00 15.94 C ATOM 792 O VAL X 103 30.360 12.929 10.310 1.00 16.96 O ATOM 793 CB VAL X 103 28.914 10.041 9.384 1.00 16.07 C ATOM 794 CG1 VAL X 103 28.205 10.558 10.689 1.00 17.87 C ATOM 795 CG2 VAL X 103 27.853 9.604 8.350 1.00 16.47 C ATOM 0 H VAL X 103 30.664 9.725 7.615 1.00 15.67 H new ATOM 0 HA VAL X 103 29.275 11.797 8.365 1.00 15.98 H new ATOM 0 HB VAL X 103 29.466 9.280 9.625 1.00 16.07 H new ATOM 0 HG11 VAL X 103 27.633 9.860 11.045 1.00 17.87 H new ATOM 0 HG12 VAL X 103 28.875 10.795 11.349 1.00 17.87 H new ATOM 0 HG13 VAL X 103 27.669 11.339 10.479 1.00 17.87 H new ATOM 0 HG21 VAL X 103 27.277 8.929 8.742 1.00 16.47 H new ATOM 0 HG22 VAL X 103 27.320 10.371 8.089 1.00 16.47 H new ATOM 0 HG23 VAL X 103 28.295 9.237 7.568 1.00 16.47 H new ATOM 796 N PHE X 104 31.781 11.150 10.242 1.00 16.17 N ATOM 797 CA PHE X 104 32.779 11.730 11.161 1.00 16.47 C ATOM 798 C PHE X 104 33.211 13.124 10.683 1.00 16.88 C ATOM 799 O PHE X 104 33.249 14.102 11.473 1.00 16.84 O ATOM 800 CB PHE X 104 33.991 10.795 11.304 1.00 16.05 C ATOM 801 CG PHE X 104 34.918 11.157 12.444 1.00 16.33 C ATOM 802 CD1 PHE X 104 35.913 12.126 12.281 1.00 18.12 C ATOM 803 CD2 PHE X 104 34.800 10.518 13.684 1.00 18.18 C ATOM 804 CE1 PHE X 104 36.762 12.467 13.355 1.00 16.75 C ATOM 805 CE2 PHE X 104 35.647 10.833 14.749 1.00 17.09 C ATOM 806 CZ PHE X 104 36.625 11.813 14.589 1.00 17.87 C ATOM 0 H PHE X 104 31.966 10.350 9.986 1.00 16.17 H new ATOM 0 HA PHE X 104 32.370 11.827 12.035 1.00 16.47 H new ATOM 0 HB2 PHE X 104 33.674 9.887 11.433 1.00 16.05 H new ATOM 0 HB3 PHE X 104 34.494 10.804 10.475 1.00 16.05 H new ATOM 0 HD1 PHE X 104 36.016 12.549 11.459 1.00 18.12 H new ATOM 0 HD2 PHE X 104 34.143 9.870 13.801 1.00 18.18 H new ATOM 0 HE1 PHE X 104 37.411 13.124 13.245 1.00 16.75 H new ATOM 0 HE2 PHE X 104 35.559 10.390 15.562 1.00 17.09 H new ATOM 0 HZ PHE X 104 37.185 12.033 15.298 1.00 17.87 H new ATOM 807 N GLN X 105 33.514 13.231 9.394 1.00 17.37 N ATOM 808 CA GLN X 105 34.067 14.469 8.851 1.00 17.96 C ATOM 809 C GLN X 105 33.022 15.561 8.662 1.00 19.82 C ATOM 810 O GLN X 105 33.290 16.731 8.967 1.00 19.34 O ATOM 811 CB GLN X 105 34.794 14.217 7.524 1.00 18.70 C ATOM 812 CG GLN X 105 35.541 15.485 7.012 1.00 18.46 C ATOM 813 CD GLN X 105 36.163 15.319 5.653 1.00 17.54 C ATOM 814 OE1 GLN X 105 36.172 14.236 5.098 1.00 16.55 O ATOM 815 NE2 GLN X 105 36.708 16.421 5.101 1.00 17.24 N ATOM 0 H GLN X 105 33.408 12.602 8.818 1.00 17.37 H new ATOM 0 HA GLN X 105 34.701 14.786 9.514 1.00 17.96 H new ATOM 0 HB2 GLN X 105 35.430 13.493 7.638 1.00 18.70 H new ATOM 0 HB3 GLN X 105 34.153 13.929 6.855 1.00 18.70 H new ATOM 0 HG2 GLN X 105 34.918 16.228 6.984 1.00 18.46 H new ATOM 0 HG3 GLN X 105 36.234 15.720 7.649 1.00 18.46 H new ATOM 0 HE21 GLN X 105 36.683 17.170 5.522 1.00 17.24 H new ATOM 0 HE22 GLN X 105 37.081 16.375 4.327 1.00 17.24 H new ATOM 816 N MET X 106 31.854 15.192 8.146 1.00 19.60 N ATOM 817 CA AMET X 106 30.900 16.225 7.725 0.50 21.00 C ATOM 818 CA BMET X 106 30.850 16.155 7.665 0.50 21.98 C ATOM 819 C MET X 106 29.563 16.221 8.452 1.00 21.76 C ATOM 820 O MET X 106 28.727 17.108 8.232 1.00 21.85 O ATOM 821 CB AMET X 106 30.721 16.235 6.195 0.50 20.92 C ATOM 822 CB BMET X 106 30.489 15.838 6.221 0.50 21.52 C ATOM 823 CG AMET X 106 29.997 15.042 5.625 0.50 19.69 C ATOM 824 CG BMET X 106 31.449 16.421 5.236 0.50 22.98 C ATOM 825 SD AMET X 106 29.796 15.093 3.844 0.50 21.27 S ATOM 826 SD BMET X 106 31.075 15.787 3.615 0.50 25.13 S ATOM 827 CE AMET X 106 31.396 14.537 3.288 0.50 19.50 C ATOM 828 CE BMET X 106 31.877 14.187 3.719 0.50 23.94 C ATOM 0 H AMET X 106 31.596 14.379 8.032 0.50 19.60 H new ATOM 0 H BMET X 106 31.614 14.370 8.062 0.50 19.60 H new ATOM 0 HA AMET X 106 31.311 17.060 7.998 0.50 21.98 H new ATOM 0 HA BMET X 106 31.280 17.018 7.771 0.50 21.98 H new ATOM 0 HB2AMET X 106 30.237 17.038 5.946 0.50 21.52 H new ATOM 0 HB2BMET X 106 30.459 14.875 6.105 0.50 21.52 H new ATOM 0 HB3AMET X 106 31.597 16.291 5.782 0.50 21.52 H new ATOM 0 HB3BMET X 106 29.598 16.174 6.035 0.50 21.52 H new ATOM 0 HG2AMET X 106 30.482 14.237 5.863 0.50 22.98 H new ATOM 0 HG2BMET X 106 31.386 17.389 5.240 0.50 22.98 H new ATOM 0 HG3AMET X 106 29.122 14.979 6.038 0.50 22.98 H new ATOM 0 HG3BMET X 106 32.360 16.195 5.482 0.50 22.98 H new ATOM 0 HE1AMET X 106 31.414 14.521 2.318 0.50 23.94 H new ATOM 0 HE1BMET X 106 32.248 13.954 2.853 0.50 23.94 H new ATOM 0 HE2AMET X 106 32.080 15.142 3.614 0.50 23.94 H new ATOM 0 HE2BMET X 106 32.590 14.224 4.376 0.50 23.94 H new ATOM 0 HE3AMET X 106 31.565 13.645 3.629 0.50 23.94 H new ATOM 0 HE3BMET X 106 31.228 13.516 3.984 0.50 23.94 H new ATOM 829 N GLY X 107 29.366 15.258 9.333 1.00 22.82 N ATOM 830 CA GLY X 107 28.127 15.196 10.052 1.00 24.76 C ATOM 831 C GLY X 107 27.065 14.506 9.214 1.00 26.29 C ATOM 832 O GLY X 107 27.069 14.517 7.971 1.00 25.69 O ATOM 0 H GLY X 107 29.933 14.640 9.523 1.00 22.82 H new ATOM 0 HA2 GLY X 107 28.253 14.716 10.885 1.00 24.76 H new ATOM 0 HA3 GLY X 107 27.835 16.092 10.283 1.00 24.76 H new ATOM 833 N GLU X 108 26.140 13.911 9.927 1.00 27.83 N ATOM 834 CA GLU X 108 25.183 13.047 9.323 1.00 30.86 C ATOM 835 C GLU X 108 24.188 13.781 8.433 1.00 31.60 C ATOM 836 O GLU X 108 23.708 13.214 7.455 1.00 31.69 O ATOM 837 CB GLU X 108 24.516 12.256 10.423 1.00 31.11 C ATOM 838 CG GLU X 108 23.099 12.007 10.214 1.00 33.91 C ATOM 839 CD GLU X 108 22.481 11.583 11.470 1.00 36.29 C ATOM 840 OE1 GLU X 108 23.244 11.107 12.341 1.00 40.19 O ATOM 841 OE2 GLU X 108 21.254 11.731 11.594 1.00 38.51 O ATOM 0 H GLU X 108 26.054 14.001 10.778 1.00 27.83 H new ATOM 0 HA GLU X 108 25.636 12.442 8.714 1.00 30.86 H new ATOM 0 HB2 GLU X 108 24.972 11.405 10.516 1.00 31.11 H new ATOM 0 HB3 GLU X 108 24.629 12.731 11.261 1.00 31.11 H new ATOM 0 HG2 GLU X 108 22.666 12.810 9.885 1.00 33.91 H new ATOM 0 HG3 GLU X 108 22.979 11.323 9.537 1.00 33.91 H new ATOM 842 N THR X 109 23.892 15.044 8.754 1.00 33.20 N ATOM 843 CA THR X 109 22.977 15.817 7.919 1.00 34.01 C ATOM 844 C THR X 109 23.630 16.055 6.565 1.00 34.53 C ATOM 845 O THR X 109 23.015 15.768 5.526 1.00 35.12 O ATOM 846 CB THR X 109 22.480 17.136 8.590 0.50 33.97 C ATOM 847 OG1 THR X 109 23.594 17.962 8.956 0.50 34.90 O ATOM 848 CG2 THR X 109 21.664 16.817 9.826 0.50 33.25 C ATOM 0 H THR X 109 24.205 15.462 9.437 1.00 33.20 H new ATOM 0 HA THR X 109 22.167 15.298 7.796 1.00 34.01 H new ATOM 0 HB THR X 109 21.926 17.613 7.952 0.50 33.97 H new ATOM 0 HG1 THR X 109 23.982 17.630 9.623 0.50 34.90 H new ATOM 0 HG21 THR X 109 21.360 17.642 10.235 0.50 33.25 H new ATOM 0 HG22 THR X 109 20.897 16.278 9.577 0.50 33.25 H new ATOM 0 HG23 THR X 109 22.212 16.326 10.458 0.50 33.25 H new ATOM 849 N GLY X 110 24.876 16.541 6.584 1.00 34.25 N ATOM 850 CA GLY X 110 25.681 16.706 5.376 1.00 34.05 C ATOM 851 C GLY X 110 25.688 15.478 4.472 1.00 34.10 C ATOM 852 O GLY X 110 25.305 15.557 3.296 1.00 34.81 O ATOM 0 H GLY X 110 25.277 16.785 7.305 1.00 34.25 H new ATOM 0 HA2 GLY X 110 25.345 17.465 4.874 1.00 34.05 H new ATOM 0 HA3 GLY X 110 26.593 16.915 5.631 1.00 34.05 H new ATOM 853 N VAL X 111 26.096 14.330 5.005 1.00 33.17 N ATOM 854 CA VAL X 111 26.161 13.123 4.156 1.00 32.74 C ATOM 855 C VAL X 111 24.786 12.581 3.744 1.00 32.67 C ATOM 856 O VAL X 111 24.650 12.024 2.649 1.00 32.39 O ATOM 857 CB VAL X 111 27.187 12.031 4.634 1.00 33.13 C ATOM 858 CG1 VAL X 111 27.901 12.424 5.906 1.00 31.96 C ATOM 859 CG2 VAL X 111 26.564 10.652 4.718 1.00 33.32 C ATOM 0 H VAL X 111 26.333 14.221 5.824 1.00 33.17 H new ATOM 0 HA VAL X 111 26.553 13.437 3.326 1.00 32.74 H new ATOM 0 HB VAL X 111 27.870 11.979 3.948 1.00 33.13 H new ATOM 0 HG11 VAL X 111 28.520 11.722 6.160 1.00 31.96 H new ATOM 0 HG12 VAL X 111 28.390 13.249 5.761 1.00 31.96 H new ATOM 0 HG13 VAL X 111 27.252 12.554 6.615 1.00 31.96 H new ATOM 0 HG21 VAL X 111 27.231 10.013 5.016 1.00 33.32 H new ATOM 0 HG22 VAL X 111 25.827 10.667 5.349 1.00 33.32 H new ATOM 0 HG23 VAL X 111 26.235 10.392 3.843 1.00 33.32 H new ATOM 860 N ALA X 112 23.764 12.778 4.582 1.00 32.11 N ATOM 861 CA ALA X 112 22.398 12.386 4.200 1.00 31.90 C ATOM 862 C ALA X 112 21.867 13.117 2.944 1.00 31.61 C ATOM 863 O ALA X 112 20.925 12.625 2.301 1.00 31.98 O ATOM 864 CB ALA X 112 21.432 12.531 5.382 1.00 32.14 C ATOM 0 H ALA X 112 23.835 13.131 5.363 1.00 32.11 H new ATOM 0 HA ALA X 112 22.448 11.449 3.954 1.00 31.90 H new ATOM 0 HB1 ALA X 112 20.540 12.267 5.106 1.00 32.14 H new ATOM 0 HB2 ALA X 112 21.725 11.963 6.111 1.00 32.14 H new ATOM 0 HB3 ALA X 112 21.418 13.455 5.678 1.00 32.14 H new ATOM 865 N GLY X 113 22.466 14.264 2.590 1.00 31.04 N ATOM 866 CA GLY X 113 22.133 14.978 1.321 1.00 30.09 C ATOM 867 C GLY X 113 22.934 14.555 0.074 1.00 29.77 C ATOM 868 O GLY X 113 22.862 15.194 -0.997 1.00 30.81 O ATOM 0 H GLY X 113 23.069 14.653 3.064 1.00 31.04 H new ATOM 0 HA2 GLY X 113 21.190 14.848 1.136 1.00 30.09 H new ATOM 0 HA3 GLY X 113 22.266 15.928 1.462 1.00 30.09 H new ATOM 869 N PHE X 114 23.713 13.489 0.203 1.00 27.39 N ATOM 870 CA PHE X 114 24.397 12.878 -0.929 1.00 24.95 C ATOM 871 C PHE X 114 23.440 11.845 -1.547 1.00 24.12 C ATOM 872 O PHE X 114 23.812 10.685 -1.773 1.00 22.80 O ATOM 873 CB PHE X 114 25.679 12.195 -0.442 1.00 24.48 C ATOM 874 CG PHE X 114 26.898 13.106 -0.405 1.00 24.01 C ATOM 875 CD1 PHE X 114 26.967 14.185 0.481 1.00 25.05 C ATOM 876 CD2 PHE X 114 27.977 12.864 -1.256 1.00 23.96 C ATOM 877 CE1 PHE X 114 28.115 15.016 0.508 1.00 23.48 C ATOM 878 CE2 PHE X 114 29.126 13.677 -1.232 1.00 23.91 C ATOM 879 CZ PHE X 114 29.172 14.763 -0.346 1.00 23.18 C ATOM 0 H PHE X 114 23.861 13.097 0.954 1.00 27.39 H new ATOM 0 HA PHE X 114 24.640 13.544 -1.590 1.00 24.95 H new ATOM 0 HB2 PHE X 114 25.526 11.840 0.448 1.00 24.48 H new ATOM 0 HB3 PHE X 114 25.870 11.440 -1.020 1.00 24.48 H new ATOM 0 HD1 PHE X 114 26.256 14.358 1.055 1.00 25.05 H new ATOM 0 HD2 PHE X 114 27.936 12.151 -1.851 1.00 23.96 H new ATOM 0 HE1 PHE X 114 28.157 15.732 1.100 1.00 23.48 H new ATOM 0 HE2 PHE X 114 29.844 13.497 -1.795 1.00 23.91 H new ATOM 0 HZ PHE X 114 29.919 15.317 -0.333 1.00 23.18 H new ATOM 880 N THR X 115 22.221 12.289 -1.839 1.00 23.20 N ATOM 881 CA THR X 115 21.122 11.403 -2.221 1.00 22.36 C ATOM 882 C THR X 115 21.456 10.504 -3.397 1.00 21.73 C ATOM 883 O THR X 115 21.182 9.304 -3.365 1.00 20.38 O ATOM 884 CB THR X 115 19.828 12.205 -2.548 1.00 23.41 C ATOM 885 OG1 THR X 115 19.510 13.050 -1.443 1.00 24.20 O ATOM 886 CG2 THR X 115 18.640 11.259 -2.818 1.00 23.92 C ATOM 0 H THR X 115 22.005 13.121 -1.821 1.00 23.20 H new ATOM 0 HA THR X 115 20.972 10.838 -1.447 1.00 22.36 H new ATOM 0 HB THR X 115 19.988 12.733 -3.346 1.00 23.41 H new ATOM 0 HG1 THR X 115 19.388 12.581 -0.757 1.00 24.20 H new ATOM 0 HG21 THR X 115 17.848 11.782 -3.019 1.00 23.92 H new ATOM 0 HG22 THR X 115 18.848 10.686 -3.572 1.00 23.92 H new ATOM 0 HG23 THR X 115 18.476 10.713 -2.033 1.00 23.92 H new ATOM 887 N ASN X 116 22.072 11.072 -4.430 1.00 20.00 N ATOM 888 CA ASN X 116 22.307 10.293 -5.634 1.00 20.33 C ATOM 889 C ASN X 116 23.438 9.296 -5.444 1.00 18.69 C ATOM 890 O ASN X 116 23.354 8.172 -5.913 1.00 17.65 O ATOM 891 CB ASN X 116 22.503 11.234 -6.828 1.00 21.22 C ATOM 892 CG ASN X 116 21.282 12.119 -7.038 1.00 24.68 C ATOM 893 OD1 ASN X 116 20.140 11.638 -6.947 1.00 27.23 O ATOM 894 ND2 ASN X 116 21.501 13.426 -7.254 1.00 26.42 N ATOM 0 H ASN X 116 22.354 11.884 -4.453 1.00 20.00 H new ATOM 0 HA ASN X 116 21.526 9.750 -5.826 1.00 20.33 H new ATOM 0 HB2 ASN X 116 23.286 11.788 -6.681 1.00 21.22 H new ATOM 0 HB3 ASN X 116 22.670 10.713 -7.629 1.00 21.22 H new ATOM 0 HD21 ASN X 116 20.836 13.966 -7.335 1.00 26.42 H new ATOM 0 HD22 ASN X 116 22.306 13.723 -7.311 1.00 26.42 H new ATOM 895 N SER X 117 24.477 9.712 -4.718 1.00 17.75 N ATOM 896 CA SER X 117 25.564 8.799 -4.357 1.00 17.32 C ATOM 897 C SER X 117 25.069 7.658 -3.458 1.00 16.98 C ATOM 898 O SER X 117 25.447 6.500 -3.679 1.00 16.70 O ATOM 899 CB SER X 117 26.728 9.525 -3.660 1.00 17.44 C ATOM 900 OG SER X 117 27.546 10.216 -4.609 1.00 19.92 O ATOM 0 H SER X 117 24.572 10.515 -4.426 1.00 17.75 H new ATOM 0 HA SER X 117 25.889 8.428 -5.192 1.00 17.32 H new ATOM 0 HB2 SER X 117 26.378 10.155 -3.011 1.00 17.44 H new ATOM 0 HB3 SER X 117 27.267 8.884 -3.171 1.00 17.44 H new ATOM 0 HG SER X 117 27.068 10.731 -5.069 1.00 19.92 H new ATOM 901 N LEU X 118 24.258 7.999 -2.443 1.00 16.30 N ATOM 902 CA LEU X 118 23.677 6.984 -1.547 1.00 16.94 C ATOM 903 C LEU X 118 22.941 5.917 -2.340 1.00 16.87 C ATOM 904 O LEU X 118 23.081 4.719 -2.054 1.00 15.60 O ATOM 905 CB LEU X 118 22.720 7.603 -0.523 1.00 16.35 C ATOM 906 CG LEU X 118 23.364 8.413 0.596 1.00 17.20 C ATOM 907 CD1 LEU X 118 22.305 9.256 1.294 1.00 17.77 C ATOM 908 CD2 LEU X 118 24.089 7.464 1.577 1.00 16.84 C ATOM 0 H LEU X 118 24.033 8.808 -2.258 1.00 16.30 H new ATOM 0 HA LEU X 118 24.417 6.579 -1.069 1.00 16.94 H new ATOM 0 HB2 LEU X 118 22.098 8.177 -0.996 1.00 16.35 H new ATOM 0 HB3 LEU X 118 22.199 6.890 -0.122 1.00 16.35 H new ATOM 0 HG LEU X 118 24.027 9.018 0.229 1.00 17.20 H new ATOM 0 HD11 LEU X 118 22.718 9.770 2.005 1.00 17.77 H new ATOM 0 HD12 LEU X 118 21.898 9.860 0.653 1.00 17.77 H new ATOM 0 HD13 LEU X 118 21.624 8.675 1.668 1.00 17.77 H new ATOM 0 HD21 LEU X 118 24.497 7.983 2.287 1.00 16.84 H new ATOM 0 HD22 LEU X 118 23.450 6.842 1.958 1.00 16.84 H new ATOM 0 HD23 LEU X 118 24.776 6.970 1.102 1.00 16.84 H new ATOM 909 N ARG X 119 22.167 6.353 -3.332 1.00 17.37 N ATOM 910 CA ARG X 119 21.401 5.406 -4.181 1.00 18.84 C ATOM 911 C ARG X 119 22.333 4.483 -4.976 1.00 17.86 C ATOM 912 O ARG X 119 22.119 3.247 -5.015 1.00 17.32 O ATOM 913 CB ARG X 119 20.442 6.174 -5.099 1.00 18.66 C ATOM 914 CG ARG X 119 19.509 5.305 -5.956 1.00 21.72 C ATOM 915 CD ARG X 119 18.445 6.165 -6.654 1.00 22.55 C ATOM 916 NE ARG X 119 19.030 7.240 -7.462 0.50 27.48 N ATOM 917 CZ ARG X 119 18.938 8.545 -7.197 0.50 27.91 C ATOM 918 NH1 ARG X 119 18.275 8.991 -6.138 0.50 29.59 N ATOM 919 NH2 ARG X 119 19.507 9.412 -8.013 0.50 29.71 N ATOM 0 H ARG X 119 22.065 7.182 -3.537 1.00 17.37 H new ATOM 0 HA ARG X 119 20.872 4.836 -3.602 1.00 18.84 H new ATOM 0 HB2 ARG X 119 19.898 6.763 -4.553 1.00 18.66 H new ATOM 0 HB3 ARG X 119 20.966 6.738 -5.689 1.00 18.66 H new ATOM 0 HG2 ARG X 119 20.028 4.824 -6.620 1.00 21.72 H new ATOM 0 HG3 ARG X 119 19.077 4.640 -5.398 1.00 21.72 H new ATOM 0 HD2 ARG X 119 17.898 5.599 -7.221 1.00 22.55 H new ATOM 0 HD3 ARG X 119 17.857 6.551 -5.986 1.00 22.55 H new ATOM 0 HE ARG X 119 19.469 7.011 -8.165 0.50 27.48 H new ATOM 0 HH11 ARG X 119 17.893 8.435 -5.605 0.50 29.59 H new ATOM 0 HH12 ARG X 119 18.228 9.836 -5.985 0.50 29.59 H new ATOM 0 HH21 ARG X 119 19.932 9.134 -8.707 0.50 29.71 H new ATOM 0 HH22 ARG X 119 19.453 10.255 -7.851 0.50 29.71 H new ATOM 920 N MET X 120 23.372 5.054 -5.594 1.00 17.39 N ATOM 921 CA MET X 120 24.377 4.245 -6.333 1.00 17.98 C ATOM 922 C MET X 120 25.085 3.231 -5.435 1.00 17.14 C ATOM 923 O MET X 120 25.339 2.101 -5.850 1.00 16.03 O ATOM 924 CB MET X 120 25.421 5.120 -7.035 1.00 17.76 C ATOM 925 CG MET X 120 24.777 5.991 -8.102 1.00 20.13 C ATOM 926 SD MET X 120 25.942 7.168 -8.755 1.00 21.55 S ATOM 927 CE MET X 120 24.849 8.556 -9.057 1.00 21.30 C ATOM 0 H MET X 120 23.520 5.901 -5.603 1.00 17.39 H new ATOM 0 HA MET X 120 23.874 3.760 -7.006 1.00 17.98 H new ATOM 0 HB2 MET X 120 25.869 5.681 -6.382 1.00 17.76 H new ATOM 0 HB3 MET X 120 26.100 4.557 -7.439 1.00 17.76 H new ATOM 0 HG2 MET X 120 24.440 5.432 -8.820 1.00 20.13 H new ATOM 0 HG3 MET X 120 24.016 6.459 -7.726 1.00 20.13 H new ATOM 0 HE1 MET X 120 25.358 9.295 -9.425 1.00 21.30 H new ATOM 0 HE2 MET X 120 24.159 8.294 -9.687 1.00 21.30 H new ATOM 0 HE3 MET X 120 24.437 8.831 -8.223 1.00 21.30 H new ATOM 928 N LEU X 121 25.397 3.636 -4.206 1.00 15.90 N ATOM 929 CA LEU X 121 25.996 2.719 -3.235 1.00 15.89 C ATOM 930 C LEU X 121 25.059 1.565 -2.886 1.00 16.02 C ATOM 931 O LEU X 121 25.501 0.420 -2.848 1.00 16.37 O ATOM 932 CB LEU X 121 26.451 3.442 -1.948 1.00 15.61 C ATOM 933 CG LEU X 121 27.646 4.403 -2.085 1.00 16.58 C ATOM 934 CD1 LEU X 121 27.885 5.155 -0.731 1.00 18.55 C ATOM 935 CD2 LEU X 121 28.928 3.691 -2.552 1.00 16.73 C ATOM 0 H LEU X 121 25.271 4.435 -3.914 1.00 15.90 H new ATOM 0 HA LEU X 121 26.784 2.353 -3.666 1.00 15.89 H new ATOM 0 HB2 LEU X 121 25.697 3.943 -1.599 1.00 15.61 H new ATOM 0 HB3 LEU X 121 26.676 2.770 -1.286 1.00 15.61 H new ATOM 0 HG LEU X 121 27.424 5.048 -2.775 1.00 16.58 H new ATOM 0 HD11 LEU X 121 28.639 5.758 -0.824 1.00 18.55 H new ATOM 0 HD12 LEU X 121 27.092 5.663 -0.498 1.00 18.55 H new ATOM 0 HD13 LEU X 121 28.072 4.510 -0.031 1.00 18.55 H new ATOM 0 HD21 LEU X 121 29.649 4.336 -2.623 1.00 16.73 H new ATOM 0 HD22 LEU X 121 29.170 3.005 -1.910 1.00 16.73 H new ATOM 0 HD23 LEU X 121 28.774 3.282 -3.418 1.00 16.73 H new ATOM 936 N GLN X 122 23.794 1.883 -2.599 1.00 16.11 N ATOM 937 CA GLN X 122 22.788 0.844 -2.307 1.00 18.03 C ATOM 938 C GLN X 122 22.668 -0.142 -3.474 1.00 17.81 C ATOM 939 O GLN X 122 22.544 -1.356 -3.263 1.00 17.59 O ATOM 940 CB GLN X 122 21.425 1.457 -1.954 1.00 18.34 C ATOM 941 CG GLN X 122 20.334 0.393 -1.727 1.00 22.79 C ATOM 942 CD GLN X 122 19.529 0.564 -0.464 0.50 24.21 C ATOM 943 OE1 GLN X 122 19.348 1.672 0.030 0.50 25.87 O ATOM 944 NE2 GLN X 122 19.011 -0.553 0.057 0.50 24.19 N ATOM 0 H GLN X 122 23.495 2.689 -2.567 1.00 16.11 H new ATOM 0 HA GLN X 122 23.091 0.353 -1.528 1.00 18.03 H new ATOM 0 HB2 GLN X 122 21.515 1.998 -1.154 1.00 18.34 H new ATOM 0 HB3 GLN X 122 21.148 2.052 -2.668 1.00 18.34 H new ATOM 0 HG2 GLN X 122 19.728 0.404 -2.484 1.00 22.79 H new ATOM 0 HG3 GLN X 122 20.753 -0.482 -1.711 1.00 22.79 H new ATOM 0 HE21 GLN X 122 19.160 -1.312 -0.319 0.50 24.19 H new ATOM 0 HE22 GLN X 122 18.528 -0.512 0.768 0.50 24.19 H new ATOM 945 N GLN X 123 22.771 0.394 -4.686 1.00 16.72 N ATOM 946 CA GLN X 123 22.661 -0.382 -5.937 1.00 17.40 C ATOM 947 C GLN X 123 23.930 -1.141 -6.285 1.00 16.17 C ATOM 948 O GLN X 123 23.936 -1.931 -7.248 1.00 16.24 O ATOM 949 CB GLN X 123 22.355 0.569 -7.095 1.00 17.29 C ATOM 950 CG GLN X 123 20.985 1.189 -7.048 1.00 21.23 C ATOM 951 CD GLN X 123 20.757 2.148 -8.200 1.00 25.28 C ATOM 952 OE1 GLN X 123 21.651 3.114 -8.362 1.00 29.44 O flip ATOM 953 NE2 GLN X 123 19.798 2.004 -8.953 1.00 25.64 N flip ATOM 0 H GLN X 123 22.909 1.233 -4.815 1.00 16.72 H new ATOM 0 HA GLN X 123 21.952 -1.029 -5.798 1.00 17.40 H new ATOM 0 HB2 GLN X 123 23.018 1.277 -7.101 1.00 17.29 H new ATOM 0 HB3 GLN X 123 22.450 0.085 -7.930 1.00 17.29 H new ATOM 0 HG2 GLN X 123 20.313 0.490 -7.072 1.00 21.23 H new ATOM 0 HG3 GLN X 123 20.873 1.661 -6.208 1.00 21.23 H new ATOM 0 HE21 GLN X 123 19.237 1.366 -8.818 1.00 25.64 H new ATOM 0 HE22 GLN X 123 19.687 2.541 -9.615 1.00 25.64 H new ATOM 954 N LYS X 124 25.005 -0.863 -5.542 1.00 15.14 N ATOM 955 CA LYS X 124 26.344 -1.441 -5.760 1.00 15.73 C ATOM 956 C LYS X 124 26.949 -1.079 -7.117 1.00 15.99 C ATOM 957 O LYS X 124 27.699 -1.856 -7.715 1.00 15.61 O ATOM 958 CB LYS X 124 26.368 -2.983 -5.507 1.00 16.04 C ATOM 959 CG LYS X 124 25.795 -3.348 -4.150 1.00 15.42 C ATOM 960 CD LYS X 124 26.303 -4.730 -3.665 1.00 15.49 C ATOM 961 CE LYS X 124 25.651 -5.036 -2.312 1.00 16.22 C ATOM 962 NZ LYS X 124 26.231 -4.135 -1.261 1.00 16.54 N ATOM 0 H LYS X 124 24.978 -0.318 -4.877 1.00 15.14 H new ATOM 0 HA LYS X 124 26.917 -1.029 -5.095 1.00 15.73 H new ATOM 0 HB2 LYS X 124 25.861 -3.431 -6.202 1.00 16.04 H new ATOM 0 HB3 LYS X 124 27.281 -3.305 -5.569 1.00 16.04 H new ATOM 0 HG2 LYS X 124 26.038 -2.668 -3.502 1.00 15.42 H new ATOM 0 HG3 LYS X 124 24.826 -3.358 -4.200 1.00 15.42 H new ATOM 0 HD2 LYS X 124 26.079 -5.418 -4.311 1.00 15.49 H new ATOM 0 HD3 LYS X 124 27.269 -4.724 -3.581 1.00 15.49 H new ATOM 0 HE2 LYS X 124 24.691 -4.907 -2.368 1.00 16.22 H new ATOM 0 HE3 LYS X 124 25.799 -5.964 -2.073 1.00 16.22 H new ATOM 0 HZ1 LYS X 124 25.929 -4.379 -0.460 1.00 16.54 H new ATOM 0 HZ2 LYS X 124 27.119 -4.196 -1.274 1.00 16.54 H new ATOM 0 HZ3 LYS X 124 25.990 -3.294 -1.425 1.00 16.54 H new ATOM 963 N ARG X 125 26.639 0.134 -7.581 1.00 16.69 N ATOM 964 CA ARG X 125 27.240 0.669 -8.817 1.00 17.47 C ATOM 965 C ARG X 125 28.454 1.468 -8.399 1.00 17.13 C ATOM 966 O ARG X 125 28.427 2.693 -8.360 1.00 16.73 O ATOM 967 CB ARG X 125 26.266 1.580 -9.534 1.00 18.22 C ATOM 968 CG ARG X 125 24.879 1.150 -9.346 1.00 23.24 C ATOM 969 CD ARG X 125 24.289 0.724 -10.583 1.00 29.04 C ATOM 970 NE ARG X 125 23.376 1.749 -11.037 1.00 31.96 N ATOM 971 CZ ARG X 125 22.194 1.498 -11.602 0.50 32.17 C ATOM 972 NH1 ARG X 125 21.765 0.251 -11.767 0.50 33.15 N ATOM 973 NH2 ARG X 125 21.435 2.506 -11.997 0.50 31.11 N ATOM 0 H ARG X 125 26.083 0.666 -7.198 1.00 16.69 H new ATOM 0 HA ARG X 125 27.474 -0.054 -9.421 1.00 17.47 H new ATOM 0 HB2 ARG X 125 26.371 2.487 -9.206 1.00 18.22 H new ATOM 0 HB3 ARG X 125 26.474 1.595 -10.481 1.00 18.22 H new ATOM 0 HG2 ARG X 125 24.848 0.423 -8.704 1.00 23.24 H new ATOM 0 HG3 ARG X 125 24.360 1.880 -8.973 1.00 23.24 H new ATOM 0 HD2 ARG X 125 24.978 0.568 -11.248 1.00 29.04 H new ATOM 0 HD3 ARG X 125 23.818 -0.115 -10.460 1.00 29.04 H new ATOM 0 HE ARG X 125 23.609 2.571 -10.937 1.00 31.96 H new ATOM 0 HH11 ARG X 125 22.252 -0.409 -11.508 0.50 33.15 H new ATOM 0 HH12 ARG X 125 21.001 0.104 -12.133 0.50 33.15 H new ATOM 0 HH21 ARG X 125 21.705 3.315 -11.889 0.50 31.11 H new ATOM 0 HH22 ARG X 125 20.672 2.352 -12.362 0.50 31.11 H new ATOM 974 N TRP X 126 29.519 0.744 -8.091 1.00 16.82 N ATOM 975 CA TRP X 126 30.643 1.301 -7.339 1.00 16.28 C ATOM 976 C TRP X 126 31.386 2.394 -8.112 1.00 16.70 C ATOM 977 O TRP X 126 31.771 3.422 -7.530 1.00 16.40 O ATOM 978 CB TRP X 126 31.606 0.188 -6.963 1.00 15.61 C ATOM 979 CG TRP X 126 31.013 -0.944 -6.150 1.00 15.86 C ATOM 980 CD1 TRP X 126 31.099 -2.289 -6.443 1.00 15.02 C ATOM 981 CD2 TRP X 126 30.239 -0.843 -4.940 1.00 15.11 C ATOM 982 NE1 TRP X 126 30.442 -3.025 -5.479 1.00 15.69 N ATOM 983 CE2 TRP X 126 29.901 -2.169 -4.548 1.00 15.26 C ATOM 984 CE3 TRP X 126 29.805 0.231 -4.138 1.00 15.83 C ATOM 985 CZ2 TRP X 126 29.186 -2.452 -3.370 1.00 13.77 C ATOM 986 CZ3 TRP X 126 29.056 -0.050 -2.984 1.00 14.75 C ATOM 987 CH2 TRP X 126 28.762 -1.390 -2.607 1.00 16.71 C ATOM 0 H TRP X 126 29.615 -0.082 -8.309 1.00 16.82 H new ATOM 0 HA TRP X 126 30.280 1.715 -6.540 1.00 16.28 H new ATOM 0 HB2 TRP X 126 31.981 -0.182 -7.777 1.00 15.61 H new ATOM 0 HB3 TRP X 126 32.341 0.574 -6.462 1.00 15.61 H new ATOM 0 HD1 TRP X 126 31.536 -2.647 -7.182 1.00 15.02 H new ATOM 0 HE1 TRP X 126 30.380 -3.883 -5.463 1.00 15.69 H new ATOM 0 HE3 TRP X 126 30.010 1.108 -4.368 1.00 15.83 H new ATOM 0 HZ2 TRP X 126 29.006 -3.328 -3.116 1.00 13.77 H new ATOM 0 HZ3 TRP X 126 28.747 0.651 -2.457 1.00 14.75 H new ATOM 0 HH2 TRP X 126 28.275 -1.550 -1.831 1.00 16.71 H new ATOM 988 N ASP X 127 31.597 2.164 -9.408 1.00 16.35 N ATOM 989 CA ASP X 127 32.313 3.136 -10.243 1.00 17.43 C ATOM 990 C ASP X 127 31.490 4.403 -10.421 1.00 18.13 C ATOM 991 O ASP X 127 32.021 5.517 -10.305 1.00 17.82 O ATOM 992 CB ASP X 127 32.718 2.538 -11.597 1.00 17.54 C ATOM 993 CG ASP X 127 33.985 1.691 -11.519 1.00 19.65 C ATOM 994 OD1 ASP X 127 34.275 1.085 -10.458 1.00 19.91 O ATOM 995 OD2 ASP X 127 34.677 1.603 -12.555 1.00 20.96 O ATOM 0 H ASP X 127 31.337 1.457 -9.823 1.00 16.35 H new ATOM 0 HA ASP X 127 33.133 3.371 -9.781 1.00 17.43 H new ATOM 0 HB2 ASP X 127 31.990 1.993 -11.935 1.00 17.54 H new ATOM 0 HB3 ASP X 127 32.854 3.256 -12.235 1.00 17.54 H new ATOM 996 N GLU X 128 30.190 4.237 -10.655 1.00 16.80 N ATOM 997 CA GLU X 128 29.255 5.361 -10.746 1.00 17.55 C ATOM 998 C GLU X 128 29.201 6.167 -9.444 1.00 16.84 C ATOM 999 O GLU X 128 29.199 7.424 -9.460 1.00 16.29 O ATOM 1000 CB GLU X 128 27.857 4.852 -11.118 1.00 18.05 C ATOM 1001 CG GLU X 128 27.808 4.354 -12.575 1.00 21.67 C ATOM 1002 CD GLU X 128 26.493 3.709 -12.928 1.00 28.90 C ATOM 1003 OE1 GLU X 128 25.551 4.444 -13.289 1.00 33.01 O ATOM 1004 OE2 GLU X 128 26.401 2.467 -12.846 1.00 31.87 O ATOM 0 H GLU X 128 29.823 3.467 -10.766 1.00 16.80 H new ATOM 0 HA GLU X 128 29.576 5.956 -11.441 1.00 17.55 H new ATOM 0 HB2 GLU X 128 27.604 4.132 -10.520 1.00 18.05 H new ATOM 0 HB3 GLU X 128 27.209 5.563 -10.996 1.00 18.05 H new ATOM 0 HG2 GLU X 128 27.968 5.101 -13.173 1.00 21.67 H new ATOM 0 HG3 GLU X 128 28.525 3.717 -12.719 1.00 21.67 H new ATOM 1005 N ALA X 129 29.109 5.445 -8.323 1.00 15.96 N ATOM 1006 CA ALA X 129 29.140 6.073 -7.002 1.00 15.58 C ATOM 1007 C ALA X 129 30.385 6.934 -6.869 1.00 15.52 C ATOM 1008 O ALA X 129 30.291 8.082 -6.460 1.00 15.38 O ATOM 1009 CB ALA X 129 29.077 5.030 -5.876 1.00 16.07 C ATOM 0 H ALA X 129 29.028 4.589 -8.308 1.00 15.96 H new ATOM 0 HA ALA X 129 28.354 6.635 -6.916 1.00 15.58 H new ATOM 0 HB1 ALA X 129 29.100 5.479 -5.017 1.00 16.07 H new ATOM 0 HB2 ALA X 129 28.255 4.520 -5.952 1.00 16.07 H new ATOM 0 HB3 ALA X 129 29.836 4.431 -5.947 1.00 16.07 H new ATOM 1010 N ALA X 130 31.540 6.374 -7.229 1.00 15.38 N ATOM 1011 CA ALA X 130 32.829 7.048 -7.047 1.00 16.84 C ATOM 1012 C ALA X 130 32.880 8.339 -7.891 1.00 17.36 C ATOM 1013 O ALA X 130 33.309 9.385 -7.418 1.00 17.00 O ATOM 1014 CB ALA X 130 33.968 6.092 -7.386 1.00 16.71 C ATOM 0 H ALA X 130 31.600 5.594 -7.585 1.00 15.38 H new ATOM 0 HA ALA X 130 32.932 7.308 -6.118 1.00 16.84 H new ATOM 0 HB1 ALA X 130 34.817 6.544 -7.264 1.00 16.71 H new ATOM 0 HB2 ALA X 130 33.926 5.319 -6.802 1.00 16.71 H new ATOM 0 HB3 ALA X 130 33.885 5.804 -8.309 1.00 16.71 H new ATOM 1015 N VAL X 131 32.364 8.268 -9.115 1.00 17.23 N ATOM 1016 CA VAL X 131 32.258 9.462 -9.970 1.00 17.77 C ATOM 1017 C VAL X 131 31.362 10.548 -9.339 1.00 16.77 C ATOM 1018 O VAL X 131 31.714 11.728 -9.324 1.00 17.30 O ATOM 1019 CB VAL X 131 31.790 9.087 -11.420 1.00 18.08 C ATOM 1020 CG1 VAL X 131 31.571 10.331 -12.266 1.00 19.03 C ATOM 1021 CG2 VAL X 131 32.828 8.172 -12.084 1.00 18.94 C ATOM 0 H VAL X 131 32.069 7.544 -9.473 1.00 17.23 H new ATOM 0 HA VAL X 131 33.147 9.843 -10.042 1.00 17.77 H new ATOM 0 HB VAL X 131 30.944 8.617 -11.354 1.00 18.08 H new ATOM 0 HG11 VAL X 131 31.283 10.071 -13.155 1.00 19.03 H new ATOM 0 HG12 VAL X 131 30.890 10.886 -11.855 1.00 19.03 H new ATOM 0 HG13 VAL X 131 32.400 10.830 -12.328 1.00 19.03 H new ATOM 0 HG21 VAL X 131 32.533 7.944 -12.979 1.00 18.94 H new ATOM 0 HG22 VAL X 131 33.681 8.631 -12.132 1.00 18.94 H new ATOM 0 HG23 VAL X 131 32.927 7.361 -11.561 1.00 18.94 H new ATOM 1022 N ASN X 132 30.208 10.145 -8.823 1.00 16.95 N ATOM 1023 CA ASN X 132 29.262 11.094 -8.259 1.00 16.93 C ATOM 1024 C ASN X 132 29.800 11.727 -6.964 1.00 16.55 C ATOM 1025 O ASN X 132 29.645 12.933 -6.729 1.00 16.08 O ATOM 1026 CB ASN X 132 27.915 10.426 -8.014 1.00 17.58 C ATOM 1027 CG ASN X 132 26.857 11.415 -7.643 1.00 18.38 C ATOM 1028 OD1 ASN X 132 26.577 11.641 -6.461 1.00 20.92 O ATOM 1029 ND2 ASN X 132 26.301 12.076 -8.652 1.00 21.43 N ATOM 0 H ASN X 132 29.954 9.324 -8.790 1.00 16.95 H new ATOM 0 HA ASN X 132 29.140 11.808 -8.904 1.00 16.93 H new ATOM 0 HB2 ASN X 132 27.643 9.947 -8.812 1.00 17.58 H new ATOM 0 HB3 ASN X 132 28.005 9.769 -7.306 1.00 17.58 H new ATOM 0 HD21 ASN X 132 25.720 12.690 -8.495 1.00 21.43 H new ATOM 0 HD22 ASN X 132 26.522 11.890 -9.462 1.00 21.43 H new ATOM 1030 N LEU X 133 30.464 10.912 -6.151 1.00 15.64 N ATOM 1031 CA LEU X 133 31.028 11.405 -4.875 1.00 15.56 C ATOM 1032 C LEU X 133 32.002 12.568 -5.052 1.00 15.94 C ATOM 1033 O LEU X 133 32.072 13.468 -4.199 1.00 16.66 O ATOM 1034 CB LEU X 133 31.726 10.268 -4.130 1.00 15.41 C ATOM 1035 CG LEU X 133 30.757 9.310 -3.400 1.00 14.02 C ATOM 1036 CD1 LEU X 133 31.453 8.026 -2.971 1.00 14.98 C ATOM 1037 CD2 LEU X 133 30.109 9.993 -2.178 1.00 17.01 C ATOM 0 H LEU X 133 30.603 10.078 -6.308 1.00 15.64 H new ATOM 0 HA LEU X 133 30.277 11.737 -4.359 1.00 15.56 H new ATOM 0 HB2 LEU X 133 32.257 9.758 -4.761 1.00 15.41 H new ATOM 0 HB3 LEU X 133 32.341 10.647 -3.483 1.00 15.41 H new ATOM 0 HG LEU X 133 30.059 9.080 -4.033 1.00 14.02 H new ATOM 0 HD11 LEU X 133 30.818 7.450 -2.517 1.00 14.98 H new ATOM 0 HD12 LEU X 133 31.802 7.570 -3.753 1.00 14.98 H new ATOM 0 HD13 LEU X 133 32.183 8.239 -2.369 1.00 14.98 H new ATOM 0 HD21 LEU X 133 29.507 9.371 -1.740 1.00 17.01 H new ATOM 0 HD22 LEU X 133 30.801 10.266 -1.555 1.00 17.01 H new ATOM 0 HD23 LEU X 133 29.611 10.773 -2.469 1.00 17.01 H new ATOM 1038 N ALA X 134 32.763 12.513 -6.141 1.00 15.28 N ATOM 1039 CA ALA X 134 33.829 13.492 -6.408 1.00 16.11 C ATOM 1040 C ALA X 134 33.261 14.850 -6.862 1.00 16.66 C ATOM 1041 O ALA X 134 33.965 15.878 -6.853 1.00 16.53 O ATOM 1042 CB ALA X 134 34.838 12.904 -7.432 1.00 14.55 C ATOM 0 H ALA X 134 32.681 11.910 -6.749 1.00 15.28 H new ATOM 0 HA ALA X 134 34.304 13.666 -5.580 1.00 16.11 H new ATOM 0 HB1 ALA X 134 35.539 13.552 -7.605 1.00 14.55 H new ATOM 0 HB2 ALA X 134 35.230 12.093 -7.071 1.00 14.55 H new ATOM 0 HB3 ALA X 134 34.376 12.699 -8.260 1.00 14.55 H new ATOM 1043 N LYS X 135 31.973 14.864 -7.225 1.00 16.50 N ATOM 1044 CA LYS X 135 31.314 16.072 -7.688 1.00 17.95 C ATOM 1045 C LYS X 135 30.742 16.813 -6.470 1.00 16.41 C ATOM 1046 O LYS X 135 29.535 16.916 -6.288 1.00 15.89 O ATOM 1047 CB LYS X 135 30.211 15.698 -8.698 1.00 18.77 C ATOM 1048 CG LYS X 135 30.739 15.050 -9.984 1.00 19.67 C ATOM 1049 CD LYS X 135 29.581 14.732 -10.971 1.00 20.87 C ATOM 1050 CE LYS X 135 30.116 14.259 -12.344 1.00 24.33 C ATOM 1051 NZ LYS X 135 29.075 13.496 -13.153 1.00 25.44 N ATOM 0 H LYS X 135 31.465 14.171 -7.207 1.00 16.50 H new ATOM 0 HA LYS X 135 31.941 16.658 -8.140 1.00 17.95 H new ATOM 0 HB2 LYS X 135 29.588 15.089 -8.272 1.00 18.77 H new ATOM 0 HB3 LYS X 135 29.713 16.497 -8.930 1.00 18.77 H new ATOM 0 HG2 LYS X 135 31.376 15.644 -10.410 1.00 19.67 H new ATOM 0 HG3 LYS X 135 31.215 14.233 -9.766 1.00 19.67 H new ATOM 0 HD2 LYS X 135 29.011 14.045 -10.591 1.00 20.87 H new ATOM 0 HD3 LYS X 135 29.032 15.522 -11.092 1.00 20.87 H new ATOM 0 HE2 LYS X 135 30.414 15.029 -12.853 1.00 24.33 H new ATOM 0 HE3 LYS X 135 30.891 13.693 -12.206 1.00 24.33 H new ATOM 0 HZ1 LYS X 135 29.479 13.040 -13.802 1.00 25.44 H new ATOM 0 HZ2 LYS X 135 28.640 12.931 -12.620 1.00 25.44 H new ATOM 0 HZ3 LYS X 135 28.497 14.071 -13.510 1.00 25.44 H new ATOM 1052 N SER X 136 31.633 17.291 -5.607 1.00 15.54 N ATOM 1053 CA SER X 136 31.221 17.798 -4.306 1.00 14.72 C ATOM 1054 C SER X 136 32.213 18.838 -3.786 1.00 14.01 C ATOM 1055 O SER X 136 33.411 18.793 -4.108 1.00 12.96 O ATOM 1056 CB SER X 136 31.138 16.653 -3.294 1.00 14.91 C ATOM 1057 OG SER X 136 32.388 15.950 -3.221 1.00 15.21 O ATOM 0 H SER X 136 32.479 17.330 -5.756 1.00 15.54 H new ATOM 0 HA SER X 136 30.350 18.211 -4.413 1.00 14.72 H new ATOM 0 HB2 SER X 136 30.907 17.004 -2.420 1.00 14.91 H new ATOM 0 HB3 SER X 136 30.431 16.040 -3.549 1.00 14.91 H new ATOM 0 HG SER X 136 32.291 15.173 -3.525 1.00 15.21 H new ATOM 1058 N ARG X 137 31.689 19.756 -2.978 1.00 14.38 N ATOM 1059 CA ARG X 137 32.533 20.650 -2.191 1.00 15.44 C ATOM 1060 C ARG X 137 33.533 19.822 -1.374 1.00 15.15 C ATOM 1061 O ARG X 137 34.714 20.142 -1.303 1.00 14.05 O ATOM 1062 CB ARG X 137 31.671 21.527 -1.263 1.00 15.61 C ATOM 1063 CG ARG X 137 32.550 22.395 -0.358 1.00 16.00 C ATOM 1064 CD ARG X 137 31.800 23.327 0.585 1.00 16.68 C ATOM 1065 NE ARG X 137 32.750 24.306 1.148 1.00 20.10 N ATOM 1066 CZ ARG X 137 33.527 24.107 2.218 1.00 22.03 C ATOM 1067 NH1 ARG X 137 33.492 22.967 2.886 1.00 22.30 N ATOM 1068 NH2 ARG X 137 34.364 25.068 2.629 1.00 22.76 N ATOM 0 H ARG X 137 30.844 19.877 -2.871 1.00 14.38 H new ATOM 0 HA ARG X 137 33.021 21.236 -2.790 1.00 15.44 H new ATOM 0 HB2 ARG X 137 31.090 22.093 -1.795 1.00 15.61 H new ATOM 0 HB3 ARG X 137 31.098 20.963 -0.720 1.00 15.61 H new ATOM 0 HG2 ARG X 137 33.117 21.812 0.171 1.00 16.00 H new ATOM 0 HG3 ARG X 137 33.135 22.929 -0.918 1.00 16.00 H new ATOM 0 HD2 ARG X 137 31.090 23.785 0.109 1.00 16.68 H new ATOM 0 HD3 ARG X 137 31.382 22.818 1.297 1.00 16.68 H new ATOM 0 HE ARG X 137 32.809 25.069 0.755 1.00 20.10 H new ATOM 0 HH11 ARG X 137 32.963 22.337 2.634 1.00 22.30 H new ATOM 0 HH12 ARG X 137 33.998 22.855 3.572 1.00 22.30 H new ATOM 0 HH21 ARG X 137 34.403 25.815 2.205 1.00 22.76 H new ATOM 0 HH22 ARG X 137 34.863 24.938 3.317 1.00 22.76 H new ATOM 1069 N TRP X 138 33.057 18.744 -0.753 1.00 14.11 N ATOM 1070 CA TRP X 138 33.929 17.848 0.012 1.00 14.65 C ATOM 1071 C TRP X 138 35.196 17.451 -0.759 1.00 14.48 C ATOM 1072 O TRP X 138 36.306 17.608 -0.265 1.00 14.90 O ATOM 1073 CB TRP X 138 33.134 16.588 0.370 1.00 14.29 C ATOM 1074 CG TRP X 138 33.922 15.455 0.968 1.00 14.69 C ATOM 1075 CD1 TRP X 138 34.675 15.474 2.133 1.00 14.89 C ATOM 1076 CD2 TRP X 138 33.978 14.103 0.476 1.00 13.58 C ATOM 1077 NE1 TRP X 138 35.204 14.208 2.373 1.00 14.58 N ATOM 1078 CE2 TRP X 138 34.797 13.358 1.376 1.00 14.66 C ATOM 1079 CE3 TRP X 138 33.421 13.453 -0.639 1.00 12.44 C ATOM 1080 CZ2 TRP X 138 35.063 11.985 1.197 1.00 15.39 C ATOM 1081 CZ3 TRP X 138 33.687 12.087 -0.830 1.00 14.40 C ATOM 1082 CH2 TRP X 138 34.504 11.365 0.099 1.00 15.63 C ATOM 0 H TRP X 138 32.229 18.512 -0.762 1.00 14.11 H new ATOM 0 HA TRP X 138 34.219 18.321 0.808 1.00 14.65 H new ATOM 0 HB2 TRP X 138 32.434 16.836 0.994 1.00 14.29 H new ATOM 0 HB3 TRP X 138 32.696 16.265 -0.433 1.00 14.29 H new ATOM 0 HD1 TRP X 138 34.807 16.220 2.673 1.00 14.89 H new ATOM 0 HE1 TRP X 138 35.705 13.994 3.039 1.00 14.58 H new ATOM 0 HE3 TRP X 138 32.886 13.919 -1.240 1.00 12.44 H new ATOM 0 HZ2 TRP X 138 35.596 11.515 1.797 1.00 15.39 H new ATOM 0 HZ3 TRP X 138 33.329 11.647 -1.567 1.00 14.40 H new ATOM 0 HH2 TRP X 138 34.661 10.459 -0.041 1.00 15.63 H new ATOM 1083 N TYR X 139 35.017 16.916 -1.961 1.00 14.46 N ATOM 1084 CA TYR X 139 36.140 16.479 -2.786 1.00 15.28 C ATOM 1085 C TYR X 139 37.060 17.661 -3.097 1.00 15.31 C ATOM 1086 O TYR X 139 38.284 17.549 -2.993 1.00 15.15 O ATOM 1087 CB TYR X 139 35.617 15.884 -4.093 1.00 15.90 C ATOM 1088 CG TYR X 139 36.725 15.431 -5.016 1.00 17.85 C ATOM 1089 CD1 TYR X 139 37.283 14.162 -4.883 1.00 16.79 C ATOM 1090 CD2 TYR X 139 37.227 16.285 -6.000 1.00 19.86 C ATOM 1091 CE1 TYR X 139 38.279 13.731 -5.733 1.00 19.85 C ATOM 1092 CE2 TYR X 139 38.244 15.870 -6.860 1.00 21.76 C ATOM 1093 CZ TYR X 139 38.766 14.597 -6.709 1.00 22.10 C ATOM 1094 OH TYR X 139 39.761 14.176 -7.556 1.00 25.55 O ATOM 0 H TYR X 139 34.245 16.796 -2.321 1.00 14.46 H new ATOM 0 HA TYR X 139 36.642 15.807 -2.300 1.00 15.28 H new ATOM 0 HB2 TYR X 139 35.041 15.130 -3.892 1.00 15.90 H new ATOM 0 HB3 TYR X 139 35.072 16.544 -4.549 1.00 15.90 H new ATOM 0 HD1 TYR X 139 36.979 13.596 -4.210 1.00 16.79 H new ATOM 0 HD2 TYR X 139 36.878 17.143 -6.083 1.00 19.86 H new ATOM 0 HE1 TYR X 139 38.622 12.870 -5.655 1.00 19.85 H new ATOM 0 HE2 TYR X 139 38.565 16.438 -7.522 1.00 21.76 H new ATOM 0 HH TYR X 139 39.955 14.795 -8.090 1.00 25.55 H new ATOM 1095 N ASN X 140 36.472 18.795 -3.471 1.00 14.90 N ATOM 1096 CA ASN X 140 37.282 19.969 -3.871 1.00 15.39 C ATOM 1097 C ASN X 140 38.073 20.576 -2.712 1.00 15.43 C ATOM 1098 O ASN X 140 39.176 21.052 -2.921 1.00 16.74 O ATOM 1099 CB ASN X 140 36.408 21.040 -4.533 1.00 15.48 C ATOM 1100 CG ASN X 140 36.030 20.667 -5.964 1.00 18.23 C ATOM 1101 OD1 ASN X 140 34.920 20.171 -6.233 1.00 19.34 O ATOM 1102 ND2 ASN X 140 36.954 20.891 -6.884 1.00 16.76 N ATOM 0 H ASN X 140 35.621 18.914 -3.503 1.00 14.90 H new ATOM 0 HA ASN X 140 37.929 19.642 -4.515 1.00 15.39 H new ATOM 0 HB2 ASN X 140 35.602 21.167 -4.009 1.00 15.48 H new ATOM 0 HB3 ASN X 140 36.881 21.887 -4.535 1.00 15.48 H new ATOM 0 HD21 ASN X 140 36.799 20.692 -7.706 1.00 16.76 H new ATOM 0 HD22 ASN X 140 37.709 21.235 -6.660 1.00 16.76 H new ATOM 1103 N GLN X 141 37.522 20.553 -1.504 1.00 14.32 N ATOM 1104 CA GLN X 141 38.224 21.148 -0.356 1.00 14.35 C ATOM 1105 C GLN X 141 39.232 20.197 0.280 1.00 14.66 C ATOM 1106 O GLN X 141 40.279 20.645 0.759 1.00 14.94 O ATOM 1107 CB GLN X 141 37.244 21.696 0.693 1.00 14.48 C ATOM 1108 CG GLN X 141 36.221 22.685 0.162 1.00 16.55 C ATOM 1109 CD GLN X 141 36.831 23.957 -0.421 1.00 18.94 C ATOM 1110 OE1 GLN X 141 36.422 24.416 -1.498 1.00 19.36 O ATOM 1111 NE2 GLN X 141 37.823 24.522 0.275 1.00 15.37 N ATOM 0 H GLN X 141 36.756 20.206 -1.323 1.00 14.32 H new ATOM 0 HA GLN X 141 38.729 21.896 -0.712 1.00 14.35 H new ATOM 0 HB2 GLN X 141 36.773 20.950 1.097 1.00 14.48 H new ATOM 0 HB3 GLN X 141 37.753 22.125 1.398 1.00 14.48 H new ATOM 0 HG2 GLN X 141 35.689 22.250 -0.522 1.00 16.55 H new ATOM 0 HG3 GLN X 141 35.616 22.927 0.880 1.00 16.55 H new ATOM 0 HE21 GLN X 141 38.079 24.174 1.019 1.00 15.37 H new ATOM 0 HE22 GLN X 141 38.205 25.233 -0.021 1.00 15.37 H new ATOM 1112 N THR X 142 39.014 18.905 0.357 1.00 20.00 N ATOM 1113 CA THR X 142 39.916 17.874 0.855 1.00 20.00 C ATOM 1114 C THR X 142 40.032 16.718 -0.134 1.00 20.00 C ATOM 1115 O THR X 142 39.571 15.610 0.156 1.00 14.06 O ATOM 1116 CB THR X 142 39.438 17.354 2.223 1.00 20.00 C ATOM 1117 OG1 THR X 142 38.135 16.774 2.088 1.00 20.00 O ATOM 1118 CG2 THR X 142 39.209 18.510 3.184 1.00 20.00 C ATOM 0 H THR X 142 38.266 18.569 0.097 1.00 20.00 H new ATOM 0 HA THR X 142 40.794 18.273 0.959 1.00 20.00 H new ATOM 0 HB THR X 142 40.112 16.731 2.538 1.00 20.00 H new ATOM 0 HG1 THR X 142 38.179 16.098 1.591 1.00 20.00 H new ATOM 0 HG21 THR X 142 38.909 18.165 4.039 1.00 20.00 H new ATOM 0 HG22 THR X 142 40.038 18.999 3.306 1.00 20.00 H new ATOM 0 HG23 THR X 142 38.534 19.104 2.821 1.00 20.00 H new ATOM 1119 N PRO X 143 40.692 17.028 -1.286 1.00 14.14 N ATOM 1120 CA PRO X 143 40.759 16.027 -2.362 1.00 13.71 C ATOM 1121 C PRO X 143 41.541 14.772 -2.000 1.00 14.23 C ATOM 1122 O PRO X 143 41.093 13.687 -2.349 1.00 13.91 O ATOM 1123 CB PRO X 143 41.389 16.799 -3.548 1.00 14.27 C ATOM 1124 CG PRO X 143 42.091 17.992 -2.913 1.00 13.11 C ATOM 1125 CD PRO X 143 41.338 18.306 -1.659 1.00 13.18 C ATOM 0 HA PRO X 143 39.880 15.671 -2.566 1.00 13.71 H new ATOM 0 HB2 PRO X 143 42.015 16.242 -4.037 1.00 14.27 H new ATOM 0 HB3 PRO X 143 40.711 17.086 -4.180 1.00 14.27 H new ATOM 0 HG2 PRO X 143 43.018 17.783 -2.717 1.00 13.11 H new ATOM 0 HG3 PRO X 143 42.093 18.753 -3.515 1.00 13.11 H new ATOM 0 HD2 PRO X 143 41.932 18.619 -0.959 1.00 13.18 H new ATOM 0 HD3 PRO X 143 40.681 19.004 -1.807 1.00 13.18 H new ATOM 1126 N ASN X 144 42.665 14.888 -1.273 1.00 14.32 N ATOM 1127 CA ASN X 144 43.451 13.685 -0.982 1.00 15.37 C ATOM 1128 C ASN X 144 42.694 12.726 -0.063 1.00 14.75 C ATOM 1129 O ASN X 144 42.662 11.523 -0.311 1.00 14.64 O ATOM 1130 CB ASN X 144 44.842 14.003 -0.424 1.00 16.15 C ATOM 1131 CG ASN X 144 45.754 14.649 -1.474 1.00 20.35 C ATOM 1132 OD1 ASN X 144 45.349 14.864 -2.613 1.00 23.78 O ATOM 1133 ND2 ASN X 144 46.988 14.926 -1.098 1.00 21.85 N ATOM 0 H ASN X 144 42.976 15.623 -0.953 1.00 14.32 H new ATOM 0 HA ASN X 144 43.588 13.240 -1.833 1.00 15.37 H new ATOM 0 HB2 ASN X 144 44.755 14.598 0.337 1.00 16.15 H new ATOM 0 HB3 ASN X 144 45.253 13.186 -0.100 1.00 16.15 H new ATOM 0 HD21 ASN X 144 47.541 15.270 -1.659 1.00 21.85 H new ATOM 0 HD22 ASN X 144 47.239 14.763 -0.292 1.00 21.85 H new ATOM 1134 N ARG X 145 42.069 13.279 0.969 1.00 14.21 N ATOM 1135 CA ARG X 145 41.243 12.490 1.850 1.00 14.65 C ATOM 1136 C ARG X 145 40.021 11.923 1.127 1.00 13.71 C ATOM 1137 O ARG X 145 39.722 10.733 1.285 1.00 13.60 O ATOM 1138 CB ARG X 145 40.803 13.292 3.066 1.00 14.97 C ATOM 1139 CG ARG X 145 40.251 12.382 4.189 1.00 18.40 C ATOM 1140 CD ARG X 145 39.068 13.011 4.800 1.00 20.29 C ATOM 1141 NE ARG X 145 38.488 12.253 5.919 1.00 19.33 N ATOM 1142 CZ ARG X 145 38.439 12.709 7.170 1.00 19.14 C ATOM 1143 NH1 ARG X 145 38.976 13.900 7.475 1.00 18.13 N ATOM 1144 NH2 ARG X 145 37.884 11.966 8.118 1.00 16.69 N ATOM 0 H ARG X 145 42.115 14.114 1.172 1.00 14.21 H new ATOM 0 HA ARG X 145 41.788 11.746 2.151 1.00 14.65 H new ATOM 0 HB2 ARG X 145 41.554 13.803 3.405 1.00 14.97 H new ATOM 0 HB3 ARG X 145 40.121 13.930 2.803 1.00 14.97 H new ATOM 0 HG2 ARG X 145 40.016 11.513 3.827 1.00 18.40 H new ATOM 0 HG3 ARG X 145 40.933 12.234 4.862 1.00 18.40 H new ATOM 0 HD2 ARG X 145 39.312 13.896 5.114 1.00 20.29 H new ATOM 0 HD3 ARG X 145 38.389 13.130 4.117 1.00 20.29 H new ATOM 0 HE ARG X 145 38.163 11.473 5.757 1.00 19.33 H new ATOM 0 HH11 ARG X 145 39.353 14.371 6.862 1.00 18.13 H new ATOM 0 HH12 ARG X 145 38.943 14.192 8.283 1.00 18.13 H new ATOM 0 HH21 ARG X 145 37.558 11.194 7.924 1.00 16.69 H new ATOM 0 HH22 ARG X 145 37.850 12.256 8.927 1.00 16.69 H new ATOM 1145 N ALA X 146 39.309 12.755 0.358 1.00 13.74 N ATOM 1146 CA ALA X 146 38.136 12.311 -0.403 1.00 13.75 C ATOM 1147 C ALA X 146 38.521 11.173 -1.355 1.00 14.62 C ATOM 1148 O ALA X 146 37.806 10.165 -1.441 1.00 14.06 O ATOM 1149 CB ALA X 146 37.503 13.475 -1.180 1.00 14.19 C ATOM 0 H ALA X 146 39.493 13.590 0.264 1.00 13.74 H new ATOM 0 HA ALA X 146 37.475 11.982 0.226 1.00 13.75 H new ATOM 0 HB1 ALA X 146 36.732 13.154 -1.673 1.00 14.19 H new ATOM 0 HB2 ALA X 146 37.224 14.166 -0.558 1.00 14.19 H new ATOM 0 HB3 ALA X 146 38.153 13.842 -1.800 1.00 14.19 H new ATOM 1150 N LYS X 147 39.664 11.320 -2.037 1.00 14.66 N ATOM 1151 CA LYS X 147 40.171 10.269 -2.930 1.00 15.43 C ATOM 1152 C LYS X 147 40.379 8.908 -2.220 1.00 14.87 C ATOM 1153 O LYS X 147 40.037 7.856 -2.778 1.00 13.87 O ATOM 1154 CB LYS X 147 41.454 10.708 -3.618 1.00 15.78 C ATOM 1155 CG LYS X 147 41.229 11.647 -4.811 1.00 17.46 C ATOM 1156 CD LYS X 147 42.562 12.174 -5.314 1.00 18.49 C ATOM 1157 CE LYS X 147 42.367 13.240 -6.387 1.00 25.26 C ATOM 0 H LYS X 147 40.160 12.021 -1.996 1.00 14.66 H new ATOM 0 HA LYS X 147 39.481 10.132 -3.598 1.00 15.43 H new ATOM 0 HB2 LYS X 147 42.022 11.153 -2.970 1.00 15.78 H new ATOM 0 HB3 LYS X 147 41.933 9.921 -3.922 1.00 15.78 H new ATOM 0 HG2 LYS X 147 40.770 11.174 -5.523 1.00 17.46 H new ATOM 0 HG3 LYS X 147 40.659 12.386 -4.548 1.00 17.46 H new ATOM 0 HD2 LYS X 147 43.065 12.546 -4.573 1.00 18.49 H new ATOM 0 HD3 LYS X 147 43.087 11.442 -5.674 1.00 18.49 H new ATOM 1158 N ARG X 148 40.927 8.936 -1.003 1.00 14.53 N ATOM 1159 CA ARG X 148 41.098 7.709 -0.196 1.00 14.25 C ATOM 1160 C ARG X 148 39.749 7.095 0.136 1.00 14.67 C ATOM 1161 O ARG X 148 39.558 5.897 -0.021 1.00 15.01 O ATOM 1162 CB ARG X 148 41.875 7.999 1.104 1.00 13.78 C ATOM 1163 CG ARG X 148 43.376 8.241 0.861 1.00 12.99 C ATOM 1164 CD ARG X 148 44.173 8.200 2.175 1.00 13.02 C ATOM 1165 NE ARG X 148 43.846 9.324 3.071 1.00 13.70 N ATOM 1166 CZ ARG X 148 44.387 10.549 2.998 1.00 17.72 C ATOM 1167 NH1 ARG X 148 45.286 10.857 2.056 1.00 15.96 N ATOM 1168 NH2 ARG X 148 44.021 11.476 3.870 1.00 15.23 N ATOM 0 H ARG X 148 41.208 9.653 -0.621 1.00 14.53 H new ATOM 0 HA ARG X 148 41.611 7.079 -0.726 1.00 14.25 H new ATOM 0 HB2 ARG X 148 41.492 8.778 1.538 1.00 13.78 H new ATOM 0 HB3 ARG X 148 41.767 7.253 1.714 1.00 13.78 H new ATOM 0 HG2 ARG X 148 43.719 7.568 0.252 1.00 12.99 H new ATOM 0 HG3 ARG X 148 43.501 9.102 0.432 1.00 12.99 H new ATOM 0 HD2 ARG X 148 43.994 7.364 2.632 1.00 13.02 H new ATOM 0 HD3 ARG X 148 45.122 8.216 1.975 1.00 13.02 H new ATOM 0 HE ARG X 148 43.264 9.183 3.688 1.00 13.70 H new ATOM 0 HH11 ARG X 148 45.528 10.264 1.482 1.00 15.96 H new ATOM 0 HH12 ARG X 148 45.622 11.648 2.025 1.00 15.96 H new ATOM 0 HH21 ARG X 148 43.441 11.290 4.477 1.00 15.23 H new ATOM 0 HH22 ARG X 148 44.364 12.264 3.829 1.00 15.23 H new ATOM 1169 N VAL X 149 38.812 7.935 0.565 1.00 14.54 N ATOM 1170 CA VAL X 149 37.479 7.449 0.998 1.00 13.92 C ATOM 1171 C VAL X 149 36.729 6.895 -0.215 1.00 14.74 C ATOM 1172 O VAL X 149 36.140 5.798 -0.159 1.00 15.20 O ATOM 1173 CB VAL X 149 36.702 8.570 1.729 1.00 13.36 C ATOM 1174 CG1 VAL X 149 35.232 8.169 1.941 1.00 13.05 C ATOM 1175 CG2 VAL X 149 37.403 8.914 3.078 1.00 11.53 C ATOM 0 H VAL X 149 38.916 8.787 0.617 1.00 14.54 H new ATOM 0 HA VAL X 149 37.577 6.727 1.639 1.00 13.92 H new ATOM 0 HB VAL X 149 36.706 9.367 1.176 1.00 13.36 H new ATOM 0 HG11 VAL X 149 34.764 8.884 2.400 1.00 13.05 H new ATOM 0 HG12 VAL X 149 34.813 8.009 1.081 1.00 13.05 H new ATOM 0 HG13 VAL X 149 35.191 7.361 2.476 1.00 13.05 H new ATOM 0 HG21 VAL X 149 36.910 9.617 3.529 1.00 11.53 H new ATOM 0 HG22 VAL X 149 37.427 8.124 3.641 1.00 11.53 H new ATOM 0 HG23 VAL X 149 38.309 9.215 2.905 1.00 11.53 H new ATOM 1176 N ILE X 150 36.794 7.622 -1.326 1.00 14.32 N ATOM 1177 CA ILE X 150 36.162 7.181 -2.598 1.00 14.55 C ATOM 1178 C ILE X 150 36.722 5.843 -3.108 1.00 15.57 C ATOM 1179 O ILE X 150 35.952 4.965 -3.531 1.00 15.35 O ATOM 1180 CB ILE X 150 36.234 8.268 -3.697 1.00 14.03 C ATOM 1181 CG1 ILE X 150 35.341 9.466 -3.304 1.00 13.38 C ATOM 1182 CG2 ILE X 150 35.825 7.669 -5.075 1.00 15.66 C ATOM 1183 CD1 ILE X 150 35.596 10.778 -4.088 1.00 15.19 C ATOM 0 H ILE X 150 37.198 8.379 -1.378 1.00 14.32 H new ATOM 0 HA ILE X 150 35.226 7.037 -2.389 1.00 14.55 H new ATOM 0 HB ILE X 150 37.146 8.588 -3.779 1.00 14.03 H new ATOM 0 HG12 ILE X 150 34.413 9.211 -3.426 1.00 13.38 H new ATOM 0 HG13 ILE X 150 35.464 9.644 -2.359 1.00 13.38 H new ATOM 0 HG21 ILE X 150 35.874 8.359 -5.755 1.00 15.66 H new ATOM 0 HG22 ILE X 150 36.428 6.945 -5.305 1.00 15.66 H new ATOM 0 HG23 ILE X 150 34.918 7.329 -5.024 1.00 15.66 H new ATOM 0 HD11 ILE X 150 34.991 11.467 -3.772 1.00 15.19 H new ATOM 0 HD12 ILE X 150 36.512 11.065 -3.950 1.00 15.19 H new ATOM 0 HD13 ILE X 150 35.445 10.625 -5.034 1.00 15.19 H new ATOM 1184 N THR X 151 38.042 5.689 -3.058 1.00 15.47 N ATOM 1185 CA THR X 151 38.689 4.440 -3.460 1.00 16.67 C ATOM 1186 C THR X 151 38.182 3.269 -2.619 1.00 15.84 C ATOM 1187 O THR X 151 37.977 2.163 -3.140 1.00 15.15 O ATOM 1188 CB THR X 151 40.215 4.550 -3.370 1.00 16.51 C ATOM 1189 OG1 THR X 151 40.669 5.356 -4.460 1.00 18.95 O ATOM 1190 CG2 THR X 151 40.872 3.185 -3.486 1.00 17.55 C ATOM 0 H THR X 151 38.586 6.300 -2.792 1.00 15.47 H new ATOM 0 HA THR X 151 38.457 4.273 -4.387 1.00 16.67 H new ATOM 0 HB THR X 151 40.450 4.938 -2.513 1.00 16.51 H new ATOM 0 HG1 THR X 151 41.501 5.272 -4.544 1.00 18.95 H new ATOM 0 HG21 THR X 151 41.835 3.283 -3.426 1.00 17.55 H new ATOM 0 HG22 THR X 151 40.560 2.613 -2.767 1.00 17.55 H new ATOM 0 HG23 THR X 151 40.641 2.786 -4.339 1.00 17.55 H new ATOM 1191 N THR X 152 37.957 3.541 -1.337 1.00 14.97 N ATOM 1192 CA THR X 152 37.450 2.547 -0.400 1.00 15.40 C ATOM 1193 C THR X 152 36.023 2.131 -0.800 1.00 15.01 C ATOM 1194 O THR X 152 35.739 0.940 -0.871 1.00 15.58 O ATOM 1195 CB THR X 152 37.537 3.054 1.064 1.00 14.21 C ATOM 1196 OG1 THR X 152 38.892 3.504 1.314 1.00 13.37 O ATOM 1197 CG2 THR X 152 37.155 1.941 2.076 1.00 14.99 C ATOM 0 H THR X 152 38.096 4.313 -0.985 1.00 14.97 H new ATOM 0 HA THR X 152 38.010 1.756 -0.443 1.00 15.40 H new ATOM 0 HB THR X 152 36.908 3.783 1.182 1.00 14.21 H new ATOM 0 HG1 THR X 152 39.020 4.237 0.925 1.00 13.37 H new ATOM 0 HG21 THR X 152 37.219 2.289 2.979 1.00 14.99 H new ATOM 0 HG22 THR X 152 36.246 1.648 1.907 1.00 14.99 H new ATOM 0 HG23 THR X 152 37.761 1.190 1.975 1.00 14.99 H new ATOM 1198 N PHE X 153 35.159 3.115 -1.097 1.00 15.20 N ATOM 1199 CA PHE X 153 33.809 2.831 -1.615 1.00 15.61 C ATOM 1200 C PHE X 153 33.823 2.125 -2.972 1.00 16.58 C ATOM 1201 O PHE X 153 32.994 1.241 -3.251 1.00 16.26 O ATOM 1202 CB PHE X 153 33.023 4.132 -1.781 1.00 15.60 C ATOM 1203 CG PHE X 153 32.322 4.597 -0.537 1.00 16.42 C ATOM 1204 CD1 PHE X 153 31.448 3.733 0.173 1.00 17.37 C ATOM 1205 CD2 PHE X 153 32.490 5.915 -0.087 1.00 14.92 C ATOM 1206 CE1 PHE X 153 30.765 4.177 1.322 1.00 17.27 C ATOM 1207 CE2 PHE X 153 31.790 6.379 1.066 1.00 16.80 C ATOM 1208 CZ PHE X 153 30.937 5.500 1.772 1.00 16.52 C ATOM 0 H PHE X 153 35.335 3.952 -1.006 1.00 15.20 H new ATOM 0 HA PHE X 153 33.394 2.243 -0.965 1.00 15.61 H new ATOM 0 HB2 PHE X 153 33.630 4.828 -2.076 1.00 15.60 H new ATOM 0 HB3 PHE X 153 32.365 4.012 -2.484 1.00 15.60 H new ATOM 0 HD1 PHE X 153 31.324 2.861 -0.125 1.00 17.37 H new ATOM 0 HD2 PHE X 153 33.061 6.490 -0.543 1.00 14.92 H new ATOM 0 HE1 PHE X 153 30.202 3.598 1.782 1.00 17.27 H new ATOM 0 HE2 PHE X 153 31.894 7.258 1.353 1.00 16.80 H new ATOM 0 HZ PHE X 153 30.490 5.795 2.532 1.00 16.52 H new ATOM 1209 N ARG X 154 34.739 2.527 -3.835 1.00 16.64 N ATOM 1210 CA ARG X 154 34.791 1.958 -5.187 1.00 17.74 C ATOM 1211 C ARG X 154 35.234 0.497 -5.169 1.00 17.53 C ATOM 1212 O ARG X 154 34.682 -0.307 -5.909 1.00 16.89 O ATOM 1213 CB ARG X 154 35.739 2.755 -6.081 1.00 17.45 C ATOM 1214 CG ARG X 154 35.707 2.309 -7.570 1.00 18.70 C ATOM 1215 CD ARG X 154 36.707 3.087 -8.461 1.00 20.01 C ATOM 1216 NE ARG X 154 38.075 3.103 -7.942 1.00 25.63 N ATOM 1217 CZ ARG X 154 38.989 2.141 -8.125 1.00 28.42 C ATOM 1218 NH1 ARG X 154 38.694 1.035 -8.805 1.00 28.10 N ATOM 1219 NH2 ARG X 154 40.214 2.282 -7.612 1.00 29.20 N ATOM 0 H ARG X 154 35.338 3.122 -3.669 1.00 16.64 H new ATOM 0 HA ARG X 154 33.891 2.007 -5.545 1.00 17.74 H new ATOM 0 HB2 ARG X 154 35.509 3.696 -6.027 1.00 17.45 H new ATOM 0 HB3 ARG X 154 36.644 2.665 -5.743 1.00 17.45 H new ATOM 0 HG2 ARG X 154 35.906 1.361 -7.622 1.00 18.70 H new ATOM 0 HG3 ARG X 154 34.810 2.430 -7.919 1.00 18.70 H new ATOM 0 HD2 ARG X 154 36.711 2.693 -9.347 1.00 20.01 H new ATOM 0 HD3 ARG X 154 36.397 4.001 -8.558 1.00 20.01 H new ATOM 0 HE ARG X 154 38.312 3.788 -7.480 1.00 25.63 H new ATOM 0 HH11 ARG X 154 37.907 0.930 -9.135 1.00 28.10 H new ATOM 0 HH12 ARG X 154 39.291 0.426 -8.915 1.00 28.10 H new ATOM 0 HH21 ARG X 154 40.414 2.989 -7.165 1.00 29.20 H new ATOM 0 HH22 ARG X 154 40.802 1.666 -7.728 1.00 29.20 H new ATOM 1220 N THR X 155 36.236 0.190 -4.335 1.00 17.45 N ATOM 1221 CA THR X 155 36.910 -1.151 -4.313 1.00 18.06 C ATOM 1222 C THR X 155 36.497 -2.129 -3.211 1.00 18.33 C ATOM 1223 O THR X 155 36.676 -3.363 -3.369 1.00 18.63 O ATOM 1224 CB THR X 155 38.437 -1.032 -4.216 1.00 18.18 C ATOM 1225 OG1 THR X 155 38.803 -0.455 -2.942 1.00 16.57 O ATOM 1226 CG2 THR X 155 39.019 -0.242 -5.414 1.00 18.16 C ATOM 0 H THR X 155 36.554 0.745 -3.760 1.00 17.45 H new ATOM 0 HA THR X 155 36.606 -1.516 -5.159 1.00 18.06 H new ATOM 0 HB THR X 155 38.827 -1.919 -4.263 1.00 18.18 H new ATOM 0 HG1 THR X 155 38.581 0.355 -2.927 1.00 16.57 H new ATOM 0 HG21 THR X 155 39.983 -0.183 -5.325 1.00 18.16 H new ATOM 0 HG22 THR X 155 38.798 -0.698 -6.241 1.00 18.16 H new ATOM 0 HG23 THR X 155 38.641 0.651 -5.427 1.00 18.16 H new ATOM 1227 N GLY X 156 35.995 -1.608 -2.084 1.00 17.38 N ATOM 1228 CA GLY X 156 35.735 -2.441 -0.916 1.00 17.54 C ATOM 1229 C GLY X 156 37.022 -3.051 -0.364 1.00 16.95 C ATOM 1230 O GLY X 156 36.990 -4.112 0.277 1.00 17.45 O ATOM 0 H GLY X 156 35.801 -0.777 -1.981 1.00 17.38 H new ATOM 0 HA2 GLY X 156 35.306 -1.909 -0.227 1.00 17.54 H new ATOM 0 HA3 GLY X 156 35.116 -3.149 -1.154 1.00 17.54 H new ATOM 1231 N THR X 157 38.146 -2.371 -0.605 1.00 16.26 N ATOM 1232 CA THR X 157 39.465 -2.765 -0.086 1.00 15.68 C ATOM 1233 C THR X 157 40.063 -1.601 0.685 1.00 15.86 C ATOM 1234 O THR X 157 39.585 -0.469 0.595 1.00 15.51 O ATOM 1235 CB THR X 157 40.486 -3.119 -1.197 1.00 15.80 C ATOM 1236 OG1 THR X 157 40.934 -1.917 -1.876 1.00 15.54 O ATOM 1237 CG2 THR X 157 39.888 -4.111 -2.198 1.00 16.95 C ATOM 0 H THR X 157 38.166 -1.656 -1.082 1.00 16.26 H new ATOM 0 HA THR X 157 39.313 -3.551 0.462 1.00 15.68 H new ATOM 0 HB THR X 157 41.252 -3.542 -0.778 1.00 15.80 H new ATOM 0 HG1 THR X 157 40.270 -1.505 -2.184 1.00 15.54 H new ATOM 0 HG21 THR X 157 40.545 -4.316 -2.882 1.00 16.95 H new ATOM 0 HG22 THR X 157 39.637 -4.926 -1.736 1.00 16.95 H new ATOM 0 HG23 THR X 157 39.103 -3.720 -2.612 1.00 16.95 H new ATOM 1238 N TRP X 158 41.121 -1.897 1.425 1.00 15.41 N ATOM 1239 CA TRP X 158 41.880 -0.869 2.149 1.00 16.61 C ATOM 1240 C TRP X 158 43.096 -0.348 1.362 1.00 17.18 C ATOM 1241 O TRP X 158 44.039 0.220 1.942 1.00 17.03 O ATOM 1242 CB TRP X 158 42.346 -1.453 3.479 1.00 16.91 C ATOM 1243 CG TRP X 158 41.242 -1.743 4.430 1.00 17.32 C ATOM 1244 CD1 TRP X 158 40.814 -2.982 4.875 1.00 17.50 C ATOM 1245 CD2 TRP X 158 40.423 -0.774 5.092 1.00 18.38 C ATOM 1246 NE1 TRP X 158 39.783 -2.825 5.770 1.00 18.55 N ATOM 1247 CE2 TRP X 158 39.530 -1.485 5.935 1.00 18.31 C ATOM 1248 CE3 TRP X 158 40.385 0.633 5.089 1.00 18.54 C ATOM 1249 CZ2 TRP X 158 38.579 -0.837 6.739 1.00 18.64 C ATOM 1250 CZ3 TRP X 158 39.433 1.284 5.907 1.00 18.35 C ATOM 1251 CH2 TRP X 158 38.555 0.543 6.714 1.00 19.30 C ATOM 0 H TRP X 158 41.424 -2.695 1.526 1.00 15.41 H new ATOM 0 HA TRP X 158 41.290 -0.111 2.284 1.00 16.61 H new ATOM 0 HB2 TRP X 158 42.837 -2.272 3.308 1.00 16.91 H new ATOM 0 HB3 TRP X 158 42.965 -0.833 3.895 1.00 16.91 H new ATOM 0 HD1 TRP X 158 41.171 -3.798 4.608 1.00 17.50 H new ATOM 0 HE1 TRP X 158 39.363 -3.464 6.164 1.00 18.55 H new ATOM 0 HE3 TRP X 158 40.973 1.123 4.561 1.00 18.54 H new ATOM 0 HZ2 TRP X 158 37.987 -1.320 7.269 1.00 18.64 H new ATOM 0 HZ3 TRP X 158 39.388 2.213 5.911 1.00 18.35 H new ATOM 0 HH2 TRP X 158 37.940 0.994 7.246 1.00 19.30 H new ATOM 1252 N ASP X 159 43.067 -0.518 0.044 1.00 17.65 N ATOM 1253 CA ASP X 159 44.233 -0.167 -0.792 1.00 18.99 C ATOM 1254 C ASP X 159 44.713 1.289 -0.625 1.00 18.30 C ATOM 1255 O ASP X 159 45.924 1.549 -0.634 1.00 18.61 O ATOM 1256 CB ASP X 159 43.931 -0.466 -2.259 1.00 19.42 C ATOM 1257 CG ASP X 159 43.930 -1.969 -2.566 1.00 23.62 C ATOM 1258 OD1 ASP X 159 44.064 -2.794 -1.637 1.00 25.13 O ATOM 1259 OD2 ASP X 159 43.803 -2.300 -3.760 1.00 27.69 O ATOM 0 H ASP X 159 42.394 -0.831 -0.390 1.00 17.65 H new ATOM 0 HA ASP X 159 44.966 -0.721 -0.482 1.00 18.99 H new ATOM 0 HB2 ASP X 159 43.067 -0.091 -2.491 1.00 19.42 H new ATOM 0 HB3 ASP X 159 44.590 -0.026 -2.818 1.00 19.42 H new ATOM 1260 N ALA X 160 43.780 2.225 -0.462 1.00 18.19 N ATOM 1261 CA ALA X 160 44.141 3.642 -0.322 1.00 18.10 C ATOM 1262 C ALA X 160 44.824 3.964 1.025 1.00 18.44 C ATOM 1263 O ALA X 160 45.368 5.069 1.194 1.00 18.72 O ATOM 1264 CB ALA X 160 42.912 4.545 -0.545 1.00 17.21 C ATOM 0 H ALA X 160 42.936 2.065 -0.429 1.00 18.19 H new ATOM 0 HA ALA X 160 44.797 3.828 -1.012 1.00 18.10 H new ATOM 0 HB1 ALA X 160 43.171 5.475 -0.448 1.00 17.21 H new ATOM 0 HB2 ALA X 160 42.561 4.399 -1.437 1.00 17.21 H new ATOM 0 HB3 ALA X 160 42.229 4.330 0.110 1.00 17.21 H new ATOM 1265 N TYR X 161 44.794 3.015 1.965 1.00 17.82 N ATOM 1266 CA TYR X 161 45.332 3.227 3.317 1.00 19.70 C ATOM 1267 C TYR X 161 46.582 2.387 3.662 1.00 22.28 C ATOM 1268 O TYR X 161 47.164 2.541 4.737 1.00 22.67 O ATOM 1269 CB TYR X 161 44.229 3.074 4.375 1.00 18.56 C ATOM 1270 CG TYR X 161 43.201 4.192 4.351 1.00 17.64 C ATOM 1271 CD1 TYR X 161 42.074 4.098 3.545 1.00 15.24 C ATOM 1272 CD2 TYR X 161 43.386 5.359 5.117 1.00 14.91 C ATOM 1273 CE1 TYR X 161 41.136 5.133 3.490 1.00 16.08 C ATOM 1274 CE2 TYR X 161 42.464 6.415 5.077 1.00 15.36 C ATOM 1275 CZ TYR X 161 41.333 6.294 4.259 1.00 16.16 C ATOM 1276 OH TYR X 161 40.392 7.294 4.169 1.00 14.77 O ATOM 0 H TYR X 161 44.462 2.232 1.839 1.00 17.82 H new ATOM 0 HA TYR X 161 45.652 4.143 3.326 1.00 19.70 H new ATOM 0 HB2 TYR X 161 43.777 2.227 4.239 1.00 18.56 H new ATOM 0 HB3 TYR X 161 44.638 3.040 5.254 1.00 18.56 H new ATOM 0 HD1 TYR X 161 41.941 3.333 3.033 1.00 15.24 H new ATOM 0 HD2 TYR X 161 44.136 5.431 5.662 1.00 14.91 H new ATOM 0 HE1 TYR X 161 40.385 5.054 2.947 1.00 16.08 H new ATOM 0 HE2 TYR X 161 42.601 7.182 5.585 1.00 15.36 H new ATOM 0 HH TYR X 161 40.291 7.652 4.922 1.00 14.77 H new ATOM 1277 N LYS X 162 46.990 1.507 2.753 1.00 25.32 N ATOM 1278 CA LYS X 162 48.279 0.796 2.881 1.00 27.99 C ATOM 1279 C LYS X 162 49.358 1.561 2.122 1.00 29.29 C ATOM 1280 O LYS X 162 50.468 1.772 2.633 1.00 32.02 O ATOM 1281 CB LYS X 162 48.195 -0.502 2.285 0.00 30.81 C ATOM 1282 CG LYS X 162 46.986 -1.292 2.827 0.00 31.51 C ATOM 1283 CD LYS X 162 46.839 -2.683 2.135 0.00 32.91 C ATOM 1284 CE LYS X 162 46.619 -2.553 0.618 0.00 34.27 C ATOM 1285 NZ LYS X 162 45.500 -3.429 0.194 0.00 33.51 N ATOM 0 H LYS X 162 46.540 1.301 2.050 1.00 25.32 H new ATOM 0 HA LYS X 162 48.490 0.725 3.825 1.00 27.99 H new ATOM 0 HB2 LYS X 162 48.120 -0.414 1.322 0.00 30.81 H new ATOM 0 HB3 LYS X 162 49.011 -0.995 2.462 0.00 30.81 H new ATOM 0 HG2 LYS X 162 47.085 -1.417 3.784 0.00 31.51 H new ATOM 0 HG3 LYS X 162 46.176 -0.776 2.690 0.00 31.51 H new ATOM 0 HD2 LYS X 162 47.635 -3.212 2.301 0.00 32.91 H new ATOM 0 HD3 LYS X 162 46.093 -3.162 2.529 0.00 32.91 H new ATOM 0 HE2 LYS X 162 46.423 -1.631 0.389 0.00 34.27 H new ATOM 0 HE3 LYS X 162 47.429 -2.797 0.143 0.00 34.27 H new ATOM 0 HZ1 LYS X 162 45.377 -3.350 -0.684 0.00 33.51 H new ATOM 0 HZ2 LYS X 162 45.694 -4.275 0.391 0.00 33.51 H new ATOM 0 HZ3 LYS X 162 44.757 -3.188 0.620 0.00 33.51 H new TER 1286 LYS X 162 HETATM 1287 P PO4 X1001 46.054 25.590 12.136 0.60 23.12 P HETATM 1288 O1 PO4 X1001 47.503 25.879 11.735 0.60 19.90 O HETATM 1289 O2 PO4 X1001 45.206 26.484 11.261 0.60 18.03 O HETATM 1290 O3 PO4 X1001 45.781 24.099 11.961 0.60 20.50 O HETATM 1291 O4 PO4 X1001 45.771 25.899 13.620 0.60 19.11 O HETATM 1292 CAE 258 X2001 27.102 7.259 4.540 1.00 19.11 C HETATM 1293 CAC 258 X2001 26.485 6.846 5.729 1.00 17.72 C HETATM 1294 CAB 258 X2001 25.791 5.637 5.741 1.00 17.44 C HETATM 1295 CAD 258 X2001 25.727 4.861 4.582 1.00 17.14 C HETATM 1296 CAF 258 X2001 26.332 5.274 3.392 1.00 16.82 C HETATM 1297 CAJ 258 X2001 27.035 6.489 3.372 1.00 18.50 C HETATM 1298 OAI 258 X2001 27.634 6.879 2.200 1.00 19.19 O HETATM 1299 CAH 258 X2001 28.112 8.276 2.209 1.00 20.43 C HETATM 1300 CAG 258 X2001 28.430 8.713 0.762 1.00 20.67 C HETATM 1301 CLAA 258 X2001 26.952 8.699 -0.241 1.00 17.92 CL HETATM 0 HAH2 258 X2001 27.437 8.858 2.593 1.00 20.43 H new HETATM 0 HAH1 258 X2001 28.904 8.355 2.764 1.00 20.43 H new HETATM 0 HAG2 258 X2001 28.816 9.603 0.765 1.00 20.67 H new HETATM 0 HAG1 258 X2001 29.093 8.118 0.378 1.00 20.67 H new HETATM 0 HAF 258 X2001 26.267 4.729 2.592 1.00 16.82 H new HETATM 0 HAE 258 X2001 27.587 8.099 4.526 1.00 19.11 H new HETATM 0 HAD 258 X2001 25.252 4.016 4.603 1.00 17.14 H new HETATM 0 HAC 258 X2001 26.540 7.392 6.529 1.00 17.72 H new HETATM 0 HAB 258 X2001 25.354 5.336 6.553 1.00 17.44 H new HETATM 1302 O HOH X2002 40.896 1.908 0.262 1.00 17.53 O HETATM 1303 O HOH X2003 35.344 11.516 4.620 1.00 15.99 O HETATM 1304 O HOH X2004 37.880 12.453 18.113 1.00 17.25 O HETATM 1305 O HOH X2005 40.029 12.984 19.942 1.00 17.29 O HETATM 1306 O HOH X2006 36.267 -0.910 10.669 1.00 19.00 O HETATM 1307 O HOH X2007 36.037 6.332 25.011 1.00 23.88 O HETATM 1308 O HOH X2008 46.365 4.446 11.738 1.00 17.89 O HETATM 1309 O HOH X2009 44.643 10.469 -1.971 1.00 16.72 O HETATM 1310 O HOH X2010 43.529 -1.158 15.409 1.00 16.00 O HETATM 1311 O HOH X2011 30.130 18.385 -0.434 1.00 17.64 O HETATM 1312 O HOH X2012 36.013 27.340 15.838 1.00 20.50 O HETATM 1313 O HOH X2013 25.334 -1.609 -1.071 1.00 16.05 O HETATM 1314 O HOH X2014 24.700 12.615 -4.521 1.00 28.77 O HETATM 1315 O HOH X2015 39.264 22.477 -6.449 1.00 21.82 O HETATM 1316 O HOH X2016 32.146 21.638 -5.644 1.00 14.29 O HETATM 1317 O HOH X2017 44.535 27.247 17.530 1.00 29.61 O HETATM 1318 O HOH X2018 38.405 27.261 -1.069 1.00 24.90 O HETATM 1319 O HOH X2019 46.621 9.260 -0.011 1.00 18.13 O HETATM 1320 O HOH X2020 34.393 23.516 -3.258 1.00 20.33 O HETATM 1321 O HOH X2021 30.145 6.759 22.919 1.00 25.60 O HETATM 1322 O HOH X2022 42.001 -4.590 1.710 1.00 19.76 O HETATM 1323 O HOH X2023 29.083 -4.659 -0.694 1.00 17.35 O HETATM 1324 O HOH X2024 42.228 16.847 11.860 1.00 19.08 O HETATM 1325 O HOH X2025 33.595 12.904 -10.931 1.00 20.07 O HETATM 1326 O HOH X2026 39.386 17.713 11.952 1.00 19.37 O HETATM 1327 O HOH X2027 28.075 8.636 -11.629 1.00 19.92 O HETATM 1328 O HOH X2028 40.864 20.487 -5.103 1.00 17.27 O HETATM 1329 O HOH X2029 47.286 2.023 10.658 1.00 29.89 O HETATM 1330 O HOH X2030 43.281 4.854 25.118 1.00 26.47 O HETATM 1331 O HOH X2031 36.904 16.024 10.457 1.00 20.93 O HETATM 1332 O HOH X2032 38.163 5.711 -6.954 1.00 26.79 O HETATM 1333 O HOH X2033 34.985 5.318 -10.832 1.00 25.87 O HETATM 1334 O HOH X2034 33.187 12.864 22.345 1.00 21.23 O HETATM 1335 O HOH X2035 37.256 19.350 13.107 1.00 17.50 O HETATM 1336 O HOH X2036 18.582 5.937 1.567 1.00 27.48 O HETATM 1337 O HOH X2037 39.617 26.944 5.657 1.00 16.35 O HETATM 1338 O HOH X2038 44.254 -3.482 11.568 1.00 27.83 O HETATM 1339 O HOH X2039 38.182 -6.317 1.491 1.00 21.26 O HETATM 1340 O HOH X2040 49.878 12.097 26.287 1.00 22.72 O HETATM 1341 O HOH X2041 35.523 12.461 28.512 1.00 22.46 O HETATM 1342 O HOH X2042 41.483 6.321 26.328 1.00 22.29 O HETATM 1343 O HOH X2043 35.987 11.081 -10.484 1.00 22.42 O HETATM 1344 O HOH X2044 40.344 -6.393 3.294 1.00 25.42 O HETATM 1345 O HOH X2045 45.866 19.925 30.706 1.00 25.57 O HETATM 1346 O HOH X2046 30.501 -1.902 -9.638 1.00 20.31 O HETATM 1347 O HOH X2047 36.014 18.967 2.819 1.00 24.26 O HETATM 1348 O HOH X2048 37.579 21.100 4.396 1.00 24.20 O HETATM 1349 O HOH X2049 20.553 10.189 13.182 1.00 22.71 O HETATM 1350 O HOH X2050 25.045 10.087 17.491 1.00 33.86 O HETATM 1351 O HOH X2051 43.204 13.845 5.764 1.00 20.31 O HETATM 1352 O HOH X2052 35.983 9.598 -8.319 1.00 20.62 O HETATM 1353 O HOH X2053 46.394 3.708 14.274 1.00 23.17 O HETATM 1354 O HOH X2054 22.136 -3.675 -1.774 1.00 20.26 O HETATM 1355 O HOH X2055 40.336 16.108 6.266 1.00 28.33 O HETATM 1356 O HOH X2056 49.654 29.639 13.827 1.00 26.50 O HETATM 1357 O HOH X2057 27.951 -1.309 12.426 1.00 29.66 O HETATM 1358 O HOH X2058 40.847 28.704 7.430 1.00 21.58 O HETATM 1359 O HOH X2059 43.829 -3.742 16.500 1.00 25.71 O HETATM 1360 O HOH X2060 19.196 7.917 -2.186 1.00 21.06 O HETATM 1361 O HOH X2061 48.943 14.300 13.333 1.00 26.72 O HETATM 1362 O HOH X2062 40.979 12.659 32.134 1.00 24.94 O HETATM 1363 O HOH X2063 17.890 -3.435 12.303 1.00 42.33 O HETATM 1364 O HOH X2064 39.779 33.269 16.803 1.00 23.75 O HETATM 1365 O HOH X2065 39.955 22.204 3.395 1.00 21.84 O HETATM 1366 O HOH X2066 19.349 -2.047 3.173 1.00 21.36 O HETATM 1367 O HOH X2067 38.072 10.174 -6.466 1.00 20.00 O HETATM 1368 O HOH X2068 27.106 -3.415 -9.957 1.00 20.05 O HETATM 1369 O HOH X2069 39.485 7.975 -5.696 1.00 20.35 O HETATM 1370 O HOH X2070 49.543 16.783 26.357 1.00 26.86 O HETATM 1371 O HOH X2071 37.742 29.361 14.534 1.00 25.24 O HETATM 1372 O HOH X2072 37.739 -4.624 -5.490 1.00 29.64 O HETATM 1373 O HOH X2073 37.850 -4.360 7.409 1.00 37.04 O HETATM 1374 O HOH X2074 39.443 30.382 11.629 1.00 29.09 O HETATM 1375 O HOH X2075 39.636 11.635 -8.234 1.00 23.33 O HETATM 1376 O HOH X2076 49.736 17.768 29.025 1.00 28.26 O HETATM 1377 O HOH X2077 36.679 7.049 -9.097 1.00 24.33 O HETATM 1378 O HOH X2078 37.229 29.293 28.514 1.00 31.69 O HETATM 1379 O HOH X2079 40.547 25.606 30.559 1.00 34.35 O HETATM 1380 O HOH X2080 39.072 24.642 2.763 1.00 23.38 O HETATM 1381 O HOH X2081 46.339 6.576 -0.753 1.00 18.15 O HETATM 1382 O HOH X2082 30.616 13.020 19.303 1.00 31.46 O HETATM 1383 O HOH X2083 18.462 3.796 -2.337 1.00 38.43 O HETATM 1384 O HOH X2084 42.200 33.003 15.388 1.00 28.16 O HETATM 1385 O HOH X2085 43.205 19.540 34.959 1.00 27.83 O HETATM 1386 O HOH X2086 33.849 18.923 -8.594 1.00 27.49 O HETATM 1387 O HOH X2087 43.029 6.108 -4.197 1.00 27.01 O HETATM 1388 O HOH X2088 34.277 15.612 -10.559 1.00 35.34 O HETATM 1389 O HOH X2089 40.614 18.629 -7.132 1.00 35.11 O HETATM 1390 O HOH X2090 47.851 16.318 11.997 1.00 34.63 O HETATM 1391 O HOH X2091 32.179 19.897 24.326 1.00 24.15 O HETATM 1392 O HOH X2092 33.449 18.548 3.803 1.00 33.97 O HETATM 1393 O HOH X2093 31.662 20.304 -8.210 1.00 25.66 O HETATM 1394 O HOH X2094 33.390 -1.042 9.552 1.00 32.16 O HETATM 1395 O HOH X2095 21.648 -5.926 5.094 1.00 40.64 O HETATM 1396 O HOH X2096 19.602 5.667 -0.947 1.00 30.51 O HETATM 1397 O HOH X2097 27.428 11.364 -11.346 1.00 26.99 O HETATM 1398 O HOH X2098 35.025 20.641 10.244 1.00 28.89 O HETATM 1399 O HOH X2099 38.974 31.722 14.856 1.00 33.68 O HETATM 1400 O HOH X2100 35.243 27.113 0.932 1.00 37.38 O HETATM 1401 O HOH X2101 47.823 23.959 17.886 1.00 29.63 O HETATM 1402 O HOH X2102 21.724 -3.776 -4.935 1.00 29.19 O HETATM 1403 O HOH X2103 35.518 27.276 6.336 1.00 41.89 O HETATM 1404 O HOH X2104 38.905 14.266 33.535 1.00 42.12 O HETATM 1405 O HOH X2105 47.171 17.705 29.828 1.00 29.79 O HETATM 1406 O HOH X2106 18.307 9.007 0.403 1.00 25.23 O HETATM 1407 O HOH X2107 36.405 -6.056 -2.422 1.00 26.58 O HETATM 1408 O HOH X2108 40.621 16.518 8.937 1.00 29.30 O HETATM 1409 O HOH X2109 34.699 -6.678 -4.194 1.00 33.32 O HETATM 1410 O HOH X2110 42.544 -6.162 -0.676 1.00 36.95 O HETATM 1411 O HOH X2111 15.826 9.747 -0.106 1.00 44.03 O HETATM 1412 O HOH X2112 29.776 12.706 13.367 1.00 45.88 O HETATM 1413 O HOH X2113 36.140 29.157 9.734 1.00 36.35 O HETATM 1414 O HOH X2114 42.432 28.291 9.773 1.00 20.92 O HETATM 1415 O HOH X2115 42.379 16.377 4.672 1.00 25.67 O HETATM 1416 O HOH X2116 45.550 17.707 12.674 1.00 40.04 O HETATM 1417 O HOH X2117 39.517 10.784 30.536 1.00 22.97 O HETATM 1418 O HOH X2118 50.051 11.596 12.318 1.00 43.65 O HETATM 1419 O HOH X2119 47.056 16.231 32.136 1.00 27.14 O HETATM 1420 O HOH X2120 41.241 9.208 29.396 1.00 24.83 O HETATM 1421 O HOH X2121 33.825 15.910 15.760 1.00 20.38 O HETATM 1422 O HOH X2122 44.076 17.318 -0.075 1.00 15.50 O HETATM 1423 O HOH X2123 42.492 15.969 1.970 1.00 17.35 O HETATM 1424 O HOH X2124 47.713 11.546 9.955 1.00 35.31 O HETATM 1425 O HOH X2125 44.929 16.002 14.483 1.00 28.12 O HETATM 1426 O HOH X2126 45.375 11.194 30.813 1.00 28.85 O HETATM 1427 O HOH X2127 34.245 6.894 27.127 1.00 25.80 O HETATM 1428 O HOH X2128 31.808 20.176 2.371 1.00 35.91 O HETATM 1429 O HOH X2129 44.656 23.507 33.751 1.00 42.26 O HETATM 1430 O HOH X2130 45.647 6.781 18.466 1.00 32.81 O HETATM 1431 O HOH X2131 33.230 16.491 13.024 1.00 43.68 O HETATM 1432 O HOH X2132 24.332 -2.396 -11.698 1.00 37.14 O HETATM 1433 O HOH X2133 49.036 8.554 10.536 1.00 40.18 O HETATM 1434 O HOH X2134 22.845 13.949 -4.779 1.00 33.08 O HETATM 1435 O HOH X2135 35.371 29.796 13.452 1.00 36.89 O HETATM 1436 O HOH X2136 24.818 16.566 11.276 1.00 37.13 O HETATM 1437 O HOH X2137 29.476 9.479 22.329 1.00 30.38 O HETATM 1438 O HOH X2138 15.881 9.778 10.115 1.00 38.93 O HETATM 1439 O HOH X2139 31.806 20.897 21.568 1.00 35.34 O HETATM 1440 O HOH X2140 31.414 24.137 29.074 1.00 33.94 O HETATM 1441 O HOH X2141 29.592 25.501 17.271 1.00 34.97 O HETATM 1442 O HOH X2142 36.677 0.013 -10.232 1.00 27.60 O HETATM 1443 O HOH X2143 46.524 24.801 23.817 1.00 38.62 O HETATM 1444 O HOH X2144 47.920 21.365 18.187 1.00 34.02 O HETATM 1445 O HOH X2145 39.382 33.935 20.351 1.00 32.11 O HETATM 1446 O HOH X2146 23.536 -5.286 -6.379 1.00 36.98 O HETATM 1447 O HOH X2147 17.087 7.976 -4.078 1.00 40.49 O HETATM 1448 O HOH X2148 47.275 5.722 24.344 1.00 45.69 O HETATM 1449 O HOH X2149 47.734 25.417 15.369 1.00 35.22 O HETATM 1450 O HOH X2150 30.726 12.065 15.887 1.00 39.73 O HETATM 1451 O HOH X2151 38.179 18.181 7.109 1.00 29.04 O HETATM 1452 O HOH X2152 43.143 18.995 10.010 1.00 35.53 O HETATM 1453 O HOH X2153 32.916 16.955 18.043 1.00 35.38 O HETATM 1454 O HOH X2154 40.296 5.280 24.057 1.00 29.77 O HETATM 1455 O HOH X2155 43.595 31.146 18.142 1.00 38.35 O HETATM 1456 O HOH X2156 44.868 14.298 32.326 1.00 36.18 O HETATM 1457 O HOH X2157 19.504 16.106 -1.075 1.00 33.10 O HETATM 1458 O HOH X2158 43.249 9.272 31.025 1.00 35.33 O HETATM 1459 O HOH X2159 27.217 15.566 -13.607 1.00 51.15 O HETATM 1460 O HOH X2160 33.249 19.080 21.968 1.00 38.52 O HETATM 1461 O HOH X2161 44.723 16.968 10.548 1.00 42.75 O HETATM 1462 O HOH X2162 46.733 -3.170 13.535 1.00 40.49 O HETATM 1463 O HOH X2163 45.435 28.038 15.312 1.00 43.39 O HETATM 1464 O HOH X2164 37.191 27.053 29.935 1.00 41.65 O HETATM 1465 O HOH X2165 49.830 19.628 19.016 1.00 42.09 O HETATM 1466 O HOH X2166 48.439 6.368 11.916 1.00 32.17 O HETATM 1467 O HOH X2167 43.623 5.776 17.260 1.00 27.46 O HETATM 1468 O HOH X2168 45.111 29.073 19.149 1.00 36.28 O HETATM 1469 O HOH X2169 36.477 18.299 9.111 1.00 34.22 O HETATM 1470 O HOH X2170 38.451 28.596 32.367 1.00 39.71 O HETATM 1471 O HOH X2171 45.575 30.594 14.860 1.00 36.41 O HETATM 1472 O HOH X2172 41.885 4.602 19.227 1.00 21.05 O HETATM 1473 O HOH X2173 40.007 5.318 20.610 1.00 29.02 O HETATM 1474 O HOH X2174 33.104 1.232 18.930 1.00 33.52 O HETATM 1475 O HOH X2175 40.558 18.908 9.782 1.00 34.03 O HETATM 1476 O HOH X2176 38.244 34.412 22.702 1.00 44.44 O HETATM 1477 O AHOH X2177 36.010 16.944 12.952 0.50 13.04 O HETATM 1478 O BHOH X2177 35.259 15.279 13.126 0.50 16.21 O HETATM 1479 O HOH X2178 50.421 17.148 19.846 1.00 32.41 O HETATM 1480 O HOH X2179 21.497 5.399 -9.593 1.00 45.13 O HETATM 1481 O HOH X2180 31.590 1.845 21.674 1.00 45.57 O HETATM 1482 O HOH X2181 21.222 -2.119 11.698 1.00 44.34 O HETATM 1483 O HOH X2182 31.973 17.121 22.701 1.00 41.29 O HETATM 1484 O HOH X2183 34.192 18.057 11.428 1.00 41.15 O HETATM 1485 O HOH X2184 46.213 11.764 -3.818 1.00 35.82 O HETATM 1486 O HOH X2185 47.812 9.901 30.500 1.00 41.80 O HETATM 1487 O HOH X2186 37.191 3.239 -12.136 1.00 46.46 O HETATM 1488 O HOH X2187 18.157 4.675 -9.827 1.00 46.49 O HETATM 1489 O HOH X2188 51.825 17.621 22.140 1.00 32.59 O HETATM 1490 O HOH X2189 40.270 20.559 36.761 1.00 39.27 O HETATM 1491 O HOH X2190 46.496 25.494 21.205 1.00 43.56 O HETATM 1492 O HOH X2191 47.934 7.418 17.470 1.00 37.12 O HETATM 1493 O HOH X2192 44.814 7.298 31.442 1.00 33.53 O HETATM 1494 O HOH X2193 43.691 -5.232 -2.813 1.00 38.46 O HETATM 1495 O HOH X2194 47.283 4.145 21.236 1.00 39.70 O HETATM 1496 O HOH X2195 42.933 15.950 8.736 1.00 45.24 O HETATM 1497 O HOH X2196 46.331 7.973 33.942 1.00 47.72 O HETATM 1498 O HOH X2197 32.482 27.182 6.956 1.00 41.11 O HETATM 1499 O HOH X2198 29.869 22.646 20.686 1.00 49.46 O HETATM 1500 O HOH X2199 31.700 18.921 19.281 1.00 44.22 O HETATM 1501 O HOH X2200 16.054 3.306 -8.871 1.00 50.34 O HETATM 1502 O HOH X2201 30.885 16.601 20.337 1.00 28.83 O HETATM 1503 O HOH X2202 46.152 15.307 9.379 1.00 42.00 O HETATM 1504 O HOH X2203 20.710 10.616 15.811 1.00 36.83 O HETATM 1505 O HOH X2204 26.906 12.163 13.576 1.00 45.44 O HETATM 1506 O HOH X2205 31.036 26.314 4.337 1.00 45.36 O HETATM 1507 O HOH X2206 50.943 18.538 24.653 1.00 43.33 O HETATM 1508 O HOH X2207 47.786 13.680 2.093 1.00 31.18 O HETATM 1509 O HOH X2208 45.983 14.051 3.360 1.00 42.16 O HETATM 1510 O HOH X2209 44.662 3.999 -3.801 1.00 35.04 O HETATM 1511 O HOH X2210 19.088 11.674 0.863 1.00 33.82 O HETATM 1512 O HOH X2211 48.419 31.988 14.402 1.00 34.01 O HETATM 1513 O HOH X2212 48.040 9.641 27.797 1.00 36.81 O HETATM 1514 O HOH X2213 33.317 13.818 15.070 1.00 43.14 O CONECT 1287 1288 1289 1290 1291 CONECT 1288 1287 CONECT 1289 1287 CONECT 1290 1287 CONECT 1291 1287 CONECT 1292 1293 1297 CONECT 1293 1292 1294 CONECT 1294 1293 1295 CONECT 1295 1294 1296 CONECT 1296 1295 1297 CONECT 1297 1292 1296 1298 CONECT 1298 1297 1299 CONECT 1299 1298 1300 CONECT 1300 1299 1301 CONECT 1301 1300 END