USER MOD reduce.3.24.130724 H: found=0, std=0, add=1479, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER CELL ADHESION 07-JUL-00 1F97 TITLE SOLUBLE PART OF THE JUNCTION ADHESION MOLECULE FROM MOUSE COMPND MOL_ID: 1; COMPND 2 MOLECULE: JUNCTION ADHESION MOLECULE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 6 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 7108; SOURCE 8 EXPRESSION_SYSTEM_CELL_LINE: SF9; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS KEYWDS IMMUNOGLOBULIN SUPERFAMILY, BETA-SANDWICH FOLD, CELL KEYWDS 2 ADHESION EXPDTA X-RAY DIFFRACTION AUTHOR D.KOSTREWA,M.BROCKHAUS,A.D'ARCY,G.DALE,G.BAZZONI,E.DEJANA, AUTHOR 2 F.WINKLER,M.HENNIG REVDAT 4 24-FEB-09 1F97 1 VERSN REVDAT 3 01-APR-03 1F97 1 JRNL REVDAT 2 22-AUG-01 1F97 1 JRNL SOURCE AUTHOR REVDAT 1 10-JAN-01 1F97 0 JRNL AUTH D.KOSTREWA,M.BROCKHAUS,A.D'ARCY,G.E.DALE, JRNL AUTH 2 P.NELBOECK,G.SCHMID,F.MUELLER,G.BAZZONI,E.DEJANA, JRNL AUTH 3 T.BARTFAI,F.K.WINKLER,M.HENNIG JRNL TITL X-RAY STRUCTURE OF JUNCTIONAL ADHESION MOLECULE: JRNL TITL 2 STRUCTURAL BASIS FOR HOMOPHILIC ADHESION VIA A JRNL TITL 3 NOVEL DIMERIZATION MOTIF. JRNL REF EMBO J. V. 20 4391 2001 JRNL REFN ISSN 0261-4189 JRNL PMID 11500366 JRNL DOI 10.1093/EMBOJ/20.16.4391 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 98.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 89.5 REMARK 3 NUMBER OF REFLECTIONS : 7497 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : 10% OF DATA REMARK 3 R VALUE (WORKING SET) : 0.150 REMARK 3 FREE R VALUE : 0.210 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 750 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1566 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 70 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 24.50 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1F97 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUL-00. REMARK 100 THE RCSB ID CODE IS RCSB011398. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-AUG-98 REMARK 200 TEMPERATURE (KELVIN) : 120 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : ELLIOTT GX-21 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : SIEMENS HI-STAR REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18966 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 25.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.5 REMARK 200 DATA REDUNDANCY : 2.500 REMARK 200 R MERGE (I) : 0.05400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 14.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.60 REMARK 200 COMPLETENESS FOR SHELL (%) : 68.3 REMARK 200 DATA REDUNDANCY IN SHELL : 1.80 REMARK 200 R MERGE FOR SHELL (I) : 0.03200 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: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 51.39 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.53 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 3350, 200 MM MGCL2, 100 MM REMARK 280 TRIS, PH 8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 21.27000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 41.64000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 65.32000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.27000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 41.64000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 65.32000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.27000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 41.64000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 65.32000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.27000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 41.64000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 65.32000 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 300 REMARK: HOMODIMER, UNDER CERTAIN CONDITIONS A FRACTION OF REMARK 300 TETRAMER REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA A 175 REMARK 465 ASP A 176 REMARK 465 ALA A 177 REMARK 465 LYS A 178 REMARK 465 LYS A 179 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 85 -1.39 -141.05 REMARK 500 ASN A 185 3.39 -67.48 REMARK 500 SER A 187 59.97 -99.88 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 250 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 155 NE2 REMARK 620 2 HOH A 255 O 78.7 REMARK 620 3 HOH A 288 O 86.6 164.5 REMARK 620 4 HOH A 307 O 170.2 99.3 94.3 REMARK 620 5 HOH A 311 O 84.5 87.4 86.2 85.8 REMARK 620 6 HOH A 281 O 88.7 87.0 97.7 100.8 171.9 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 250 DBREF 1F97 A 27 238 UNP O88792 JAM1_MOUSE 27 238 SEQRES 1 A 212 LYS GLY SER VAL TYR THR ALA GLN SER ASP VAL GLN VAL SEQRES 2 A 212 PRO GLU ASN GLU SER ILE LYS LEU THR CYS THR TYR SER SEQRES 3 A 212 GLY PHE SER SER PRO ARG VAL GLU TRP LYS PHE VAL GLN SEQRES 4 A 212 GLY SER THR THR ALA LEU VAL CYS TYR ASN SER GLN ILE SEQRES 5 A 212 THR ALA PRO TYR ALA ASP ARG VAL THR PHE SER SER SER SEQRES 6 A 212 GLY ILE THR PHE SER SER VAL THR ARG LYS ASP ASN GLY SEQRES 7 A 212 GLU TYR THR CYS MET VAL SER GLU GLU GLY GLY GLN ASN SEQRES 8 A 212 TYR GLY GLU VAL SER ILE HIS LEU THR VAL LEU VAL PRO SEQRES 9 A 212 PRO SER LYS PRO THR ILE SER VAL PRO SER SER VAL THR SEQRES 10 A 212 ILE GLY ASN ARG ALA VAL LEU THR CYS SER GLU HIS ASP SEQRES 11 A 212 GLY SER PRO PRO SER GLU TYR SER TRP PHE LYS ASP GLY SEQRES 12 A 212 ILE SER MET LEU THR ALA ASP ALA LYS LYS THR ARG ALA SEQRES 13 A 212 PHE MET ASN SER SER PHE THR ILE ASP PRO LYS SER GLY SEQRES 14 A 212 ASP LEU ILE PHE ASP PRO VAL THR ALA PHE ASP SER GLY SEQRES 15 A 212 GLU TYR TYR CYS GLN ALA GLN ASN GLY TYR GLY THR ALA SEQRES 16 A 212 MET ARG SER GLU ALA ALA HIS MET ASP ALA VAL GLU LEU SEQRES 17 A 212 ASN VAL GLY GLY HET MG A 250 1 HETNAM MG MAGNESIUM ION FORMUL 2 MG MG 2+ FORMUL 3 HOH *70(H2 O) HELIX 1 1 ALA A 80 ALA A 83 5 4 HELIX 2 2 THR A 99 ASN A 103 5 5 HELIX 3 3 THR A 203 SER A 207 5 5 SHEET 1 A 2 SER A 29 TYR A 31 0 SHEET 2 A 2 THR A 50 SER A 52 -1 O THR A 50 N TYR A 31 SHEET 1 B 6 ASP A 36 PRO A 40 0 SHEET 2 B 6 TYR A 118 LEU A 128 1 O HIS A 124 N VAL A 37 SHEET 3 B 6 GLY A 104 GLU A 112 -1 O GLY A 104 N LEU A 125 SHEET 4 B 6 PRO A 57 GLN A 65 -1 N ARG A 58 O SER A 111 SHEET 5 B 6 THR A 68 TYR A 74 -1 O THR A 68 N GLN A 65 SHEET 6 B 6 GLN A 77 ILE A 78 -1 O GLN A 77 N TYR A 74 SHEET 1 C 3 ILE A 45 THR A 48 0 SHEET 2 C 3 GLY A 92 PHE A 95 -1 O ILE A 93 N LEU A 47 SHEET 3 C 3 VAL A 86 SER A 89 -1 O THR A 87 N THR A 94 SHEET 1 D 4 THR A 135 SER A 137 0 SHEET 2 D 4 ALA A 148 SER A 153 -1 O THR A 151 N SER A 137 SHEET 3 D 4 LEU A 197 PHE A 199 -1 O LEU A 197 N LEU A 150 SHEET 4 D 4 PHE A 188 ILE A 190 -1 O THR A 189 N ILE A 198 SHEET 1 E 5 SER A 141 THR A 143 0 SHEET 2 E 5 ALA A 227 VAL A 232 1 O ASP A 230 N VAL A 142 SHEET 3 E 5 GLY A 208 GLN A 215 -1 O GLY A 208 N MET A 229 SHEET 4 E 5 GLU A 162 LYS A 167 -1 N GLU A 162 O GLN A 215 SHEET 5 E 5 ILE A 170 SER A 171 -1 N ILE A 170 O LYS A 167 SHEET 1 F 4 SER A 141 THR A 143 0 SHEET 2 F 4 ALA A 227 VAL A 232 1 O ASP A 230 N VAL A 142 SHEET 3 F 4 GLY A 208 GLN A 215 -1 O GLY A 208 N MET A 229 SHEET 4 F 4 MET A 222 ARG A 223 -1 O MET A 222 N ALA A 214 SSBOND *** CYS A 49 CYS A 108 1555 1555 2.04 SSBOND *** CYS A 152 CYS A 212 1555 1555 2.03 LINK MG MG A 250 NE2 HIS A 155 1555 1555 2.39 LINK MG MG A 250 O HOH A 255 1555 1555 2.00 LINK MG MG A 250 O HOH A 288 1555 1555 1.87 LINK MG MG A 250 O HOH A 307 1555 1555 2.13 LINK MG MG A 250 O HOH A 311 1555 1555 2.33 LINK MG MG A 250 O HOH A 281 1555 1555 2.18 CISPEP 1 SER A 158 PRO A 159 0 -0.18 CISPEP 2 ASP A 200 PRO A 201 0 0.05 SITE *** AC1 6 HIS A 155 HOH A 255 HOH A 281 HOH A 288 SITE *** AC1 6 HOH A 307 HOH A 311 CRYST1 42.540 83.280 130.640 90.00 90.00 90.00 I 2 2 2 8 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 0.023507 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012008 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007655 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 213 GLN : amide:sc= 0.339 K(o=1.7,f=0.9) USER MOD Set 1.2: A 215 GLN : amide:sc= 1.34 K(o=1.7,f=0.49) USER MOD Set 2.1: A 107 THR OG1 : rot -75:sc= 0.287 USER MOD Set 2.2: A 122 SER OG : rot 180:sc= 0.265 USER MOD Set 3.1: A 103 ASN : amide:sc= 1.08 K(o=1.9,f=-5.4!) USER MOD Set 3.2: A 158 SER OG : rot -122:sc= 0.783 USER MOD Set 4.1: A 32 THR OG1 : rot 92:sc= 0.514 USER MOD Set 4.2: A 48 THR OG1 : rot 39:sc= 0.646 USER MOD Set 5.1: A 46 LYS NZ :NH3+ 175:sc= 0.569 (180deg=0) USER MOD Set 5.2: A 89 SER OG : rot -49:sc= 1.03 USER MOD Set 5.3: A 91 SER OG : rot -160:sc= 0.519 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0436 K(o=-0.044,f=-2.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 42 ASN : amide:sc=-0.00855 X(o=-0.0086,f=-0.053) USER MOD Single : A 44 SER OG : rot -30:sc= 1.04 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -122:sc= 0.0836 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 149:sc= 0.182 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.483 K(o=0.48,f=-2.1) USER MOD Single : A 76 SER OG : rot 115:sc= 0.98 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 79 THR OG1 : rot -157:sc= 0.937 USER MOD Single : A 82 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 87 THR OG1 : rot 126:sc= 0.0143 USER MOD Single : A 90 SER OG : rot -81:sc= 0.0378 USER MOD Single : A 94 THR OG1 : rot 87:sc= 0.88 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 0:sc= 2.23 USER MOD Single : A 109 MET CE :methyl -173:sc= 0 (180deg=-0.0275) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.878 K(o=0.88,f=-8.8!) USER MOD Single : A 117 ASN : amide:sc= -1.04! C(o=-1!,f=-1!) USER MOD Single : A 118 TYR OH : rot -163:sc= 1.23 USER MOD Single : A 124 HIS : no HD1:sc= 0.842 K(o=0.84,f=-0.092) USER MOD Single : A 126 THR OG1 : rot 89:sc= 1.03 USER MOD Single : A 132 SER OG : rot 168:sc= 2.19 USER MOD Single : A 133 LYS NZ :NH3+ -169:sc= 0.124 (180deg=0.0984) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 111:sc= 1.05 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -84:sc= 0.117 USER MOD Single : A 146 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.5!) USER MOD Single : A 151 THR OG1 : rot 90:sc= -0.665 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 155 HIS : no HE2:sc= 3.19 K(o=3.2,f=-1.7) USER MOD Single : A 161 SER OG : rot 111:sc= 0.0632 USER MOD Single : A 163 TYR OH : rot 30:sc= 1.29 USER MOD Single : A 164 SER OG : rot -91:sc= -1.64! USER MOD Single : A 167 LYS NZ :NH3+ -174:sc= 2.62 (180deg=2.52) USER MOD Single : A 171 SER OG : rot -92:sc= 0.017 USER MOD Single : A 172 MET CE :methyl -139:sc= 0 (180deg=-0.124) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 180 THR OG1 : rot 38:sc= 0.057 USER MOD Single : A 184 MET CE :methyl -165:sc= -0.0464 (180deg=-0.313) USER MOD Single : A 185 ASN : amide:sc= 0.43 K(o=0.43,f=-0.6) USER MOD Single : A 186 SER OG : rot 130:sc= 1.42 USER MOD Single : A 187 SER OG : rot -124:sc= 0.208 USER MOD Single : A 189 THR OG1 : rot 93:sc= 0.0717 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 194 SER OG : rot 126:sc= 0.526 USER MOD Single : A 203 THR OG1 : rot -48:sc= 0.0887 USER MOD Single : A 207 SER OG : rot 20:sc= 0.335 USER MOD Single : A 210 TYR OH : rot 0:sc= 2.34 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 ASN : amide:sc= 0.245 K(o=0.25,f=-4.4) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 220 THR OG1 : rot 180:sc= 0 USER MOD Single : A 222 MET CE :methyl -119:sc=-0.00121 (180deg=-0.115) USER MOD Single : A 224 SER OG : rot 111:sc= 0.134 USER MOD Single : A 228 HIS : no HD1:sc= 0.956 K(o=0.96,f=-1.8!) USER MOD Single : A 229 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 1.21 X(o=1.2,f=0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 27 8.276 56.882 28.356 1.00 72.72 N ATOM 2 CA LYS A 27 9.189 55.968 27.607 1.00 71.17 C ATOM 3 C LYS A 27 8.502 54.649 27.239 1.00 68.96 C ATOM 4 O LYS A 27 7.576 54.633 26.425 1.00 70.03 O ATOM 5 CB LYS A 27 10.470 55.713 28.416 1.00 70.59 C ATOM 6 CG LYS A 27 10.239 55.287 29.863 1.00 74.57 C ATOM 7 CD LYS A 27 11.533 54.829 30.513 1.00 76.30 C ATOM 8 CE LYS A 27 11.295 54.350 31.936 1.00 75.21 C ATOM 9 NZ LYS A 27 12.539 53.801 32.542 1.00 74.95 N ATOM 0 HA LYS A 27 9.428 56.406 26.775 1.00 71.17 H new ATOM 0 HB2 LYS A 27 10.989 55.026 27.969 1.00 70.59 H new ATOM 0 HB3 LYS A 27 11.006 56.521 28.412 1.00 70.59 H new ATOM 0 HG2 LYS A 27 9.866 56.028 30.366 1.00 74.57 H new ATOM 0 HG3 LYS A 27 9.588 54.569 29.891 1.00 74.57 H new ATOM 0 HD2 LYS A 27 11.925 54.113 29.989 1.00 76.30 H new ATOM 0 HD3 LYS A 27 12.172 55.559 30.518 1.00 76.30 H new ATOM 0 HE2 LYS A 27 10.968 55.086 32.476 1.00 75.21 H new ATOM 0 HE3 LYS A 27 10.605 53.669 31.938 1.00 75.21 H new ATOM 0 HZ1 LYS A 27 12.370 53.529 33.372 1.00 74.95 H new ATOM 0 HZ2 LYS A 27 12.827 53.112 32.057 1.00 74.95 H new ATOM 0 HZ3 LYS A 27 13.165 54.433 32.559 1.00 74.95 H new ATOM 10 N GLY A 28 8.966 53.551 27.833 1.00 66.93 N ATOM 11 CA GLY A 28 8.395 52.241 27.571 1.00 61.89 C ATOM 12 C GLY A 28 8.469 51.356 28.804 1.00 57.29 C ATOM 13 O GLY A 28 9.517 51.263 29.453 1.00 57.91 O ATOM 0 H GLY A 28 9.617 53.548 28.395 1.00 66.93 H new ATOM 0 HA2 GLY A 28 7.471 52.337 27.293 1.00 61.89 H new ATOM 0 HA3 GLY A 28 8.869 51.819 26.837 1.00 61.89 H new ATOM 14 N SER A 29 7.353 50.710 29.131 1.00 49.42 N ATOM 15 CA SER A 29 7.290 49.835 30.297 1.00 41.25 C ATOM 16 C SER A 29 7.241 48.351 29.942 1.00 33.33 C ATOM 17 O SER A 29 6.775 47.960 28.869 1.00 30.78 O ATOM 18 CB SER A 29 6.086 50.195 31.171 1.00 45.66 C ATOM 19 OG SER A 29 4.869 49.966 30.484 1.00 46.30 O ATOM 0 H SER A 29 6.618 50.766 28.688 1.00 49.42 H new ATOM 0 HA SER A 29 8.114 49.981 30.787 1.00 41.25 H new ATOM 0 HB2 SER A 29 6.105 49.668 31.985 1.00 45.66 H new ATOM 0 HB3 SER A 29 6.141 51.127 31.435 1.00 45.66 H new ATOM 0 HG SER A 29 4.224 50.168 30.982 1.00 46.30 H new ATOM 20 N VAL A 30 7.720 47.535 30.874 1.00 27.09 N ATOM 21 CA VAL A 30 7.756 46.086 30.725 1.00 22.43 C ATOM 22 C VAL A 30 7.169 45.502 32.009 1.00 22.39 C ATOM 23 O VAL A 30 7.616 45.835 33.109 1.00 21.72 O ATOM 24 CB VAL A 30 9.217 45.585 30.549 1.00 20.15 C ATOM 25 CG1 VAL A 30 9.256 44.075 30.388 1.00 20.23 C ATOM 26 CG2 VAL A 30 9.863 46.262 29.356 1.00 9.61 C ATOM 0 H VAL A 30 8.038 47.813 31.623 1.00 27.09 H new ATOM 0 HA VAL A 30 7.254 45.812 29.941 1.00 22.43 H new ATOM 0 HB VAL A 30 9.717 45.816 31.348 1.00 20.15 H new ATOM 0 HG11 VAL A 30 10.175 43.785 30.280 1.00 20.23 H new ATOM 0 HG12 VAL A 30 8.875 43.655 31.175 1.00 20.23 H new ATOM 0 HG13 VAL A 30 8.742 43.819 29.606 1.00 20.23 H new ATOM 0 HG21 VAL A 30 10.773 45.942 29.256 1.00 9.61 H new ATOM 0 HG22 VAL A 30 9.358 46.055 28.554 1.00 9.61 H new ATOM 0 HG23 VAL A 30 9.871 47.222 29.494 1.00 9.61 H new ATOM 27 N TYR A 31 6.165 44.642 31.872 1.00 21.26 N ATOM 28 CA TYR A 31 5.528 44.042 33.041 1.00 24.73 C ATOM 29 C TYR A 31 5.083 42.595 32.855 1.00 23.29 C ATOM 30 O TYR A 31 5.103 42.056 31.745 1.00 27.26 O ATOM 31 CB TYR A 31 4.340 44.902 33.498 1.00 31.38 C ATOM 32 CG TYR A 31 3.306 45.167 32.423 1.00 44.56 C ATOM 33 CD1 TYR A 31 2.354 44.202 32.090 1.00 53.22 C ATOM 34 CD2 TYR A 31 3.269 46.391 31.750 1.00 51.06 C ATOM 35 CE1 TYR A 31 1.387 44.447 31.116 1.00 61.07 C ATOM 36 CE2 TYR A 31 2.306 46.646 30.770 1.00 59.94 C ATOM 37 CZ TYR A 31 1.369 45.668 30.460 1.00 65.77 C ATOM 38 OH TYR A 31 0.415 45.903 29.494 1.00 71.61 O ATOM 0 H TYR A 31 5.839 44.393 31.116 1.00 21.26 H new ATOM 0 HA TYR A 31 6.216 44.018 33.725 1.00 24.73 H new ATOM 0 HB2 TYR A 31 3.907 44.463 34.247 1.00 31.38 H new ATOM 0 HB3 TYR A 31 4.677 45.751 33.824 1.00 31.38 H new ATOM 0 HD1 TYR A 31 2.365 43.381 32.526 1.00 53.22 H new ATOM 0 HD2 TYR A 31 3.895 47.046 31.958 1.00 51.06 H new ATOM 0 HE1 TYR A 31 0.758 43.795 30.908 1.00 61.07 H new ATOM 0 HE2 TYR A 31 2.292 47.464 30.328 1.00 59.94 H new ATOM 0 HH TYR A 31 0.517 46.676 29.181 1.00 71.61 H new ATOM 39 N THR A 32 4.665 41.982 33.959 1.00 21.89 N ATOM 40 CA THR A 32 4.203 40.601 33.964 1.00 20.95 C ATOM 41 C THR A 32 2.909 40.473 34.772 1.00 24.84 C ATOM 42 O THR A 32 2.654 41.254 35.695 1.00 23.32 O ATOM 43 CB THR A 32 5.278 39.658 34.559 1.00 20.99 C ATOM 44 OG1 THR A 32 4.782 38.313 34.596 1.00 25.92 O ATOM 45 CG2 THR A 32 5.660 40.095 35.967 1.00 13.33 C ATOM 0 H THR A 32 4.642 42.360 34.731 1.00 21.89 H new ATOM 0 HA THR A 32 4.035 40.342 33.044 1.00 20.95 H new ATOM 0 HB THR A 32 6.065 39.700 33.994 1.00 20.99 H new ATOM 0 HG1 THR A 32 4.994 37.917 33.886 1.00 25.92 H new ATOM 0 HG21 THR A 32 6.333 39.493 36.321 1.00 13.33 H new ATOM 0 HG22 THR A 32 6.015 40.997 35.941 1.00 13.33 H new ATOM 0 HG23 THR A 32 4.875 40.074 36.537 1.00 13.33 H new ATOM 46 N ALA A 33 2.087 39.501 34.398 1.00 24.76 N ATOM 47 CA ALA A 33 0.827 39.255 35.081 1.00 28.77 C ATOM 48 C ALA A 33 1.061 38.577 36.426 1.00 29.83 C ATOM 49 O ALA A 33 0.334 38.822 37.387 1.00 29.65 O ATOM 50 CB ALA A 33 -0.061 38.393 34.223 1.00 37.36 C ATOM 0 H ALA A 33 2.244 38.967 33.742 1.00 24.76 H new ATOM 0 HA ALA A 33 0.394 40.108 35.239 1.00 28.77 H new ATOM 0 HB1 ALA A 33 -0.899 38.232 34.684 1.00 37.36 H new ATOM 0 HB2 ALA A 33 -0.236 38.844 33.382 1.00 37.36 H new ATOM 0 HB3 ALA A 33 0.379 37.546 34.050 1.00 37.36 H new ATOM 51 N GLN A 34 2.076 37.720 36.484 1.00 31.58 N ATOM 52 CA GLN A 34 2.402 36.998 37.709 1.00 33.48 C ATOM 53 C GLN A 34 3.915 36.863 37.858 1.00 29.66 C ATOM 54 O GLN A 34 4.577 36.241 37.025 1.00 27.79 O ATOM 55 CB GLN A 34 1.735 35.614 37.692 1.00 41.15 C ATOM 56 CG GLN A 34 1.921 34.792 38.966 1.00 62.22 C ATOM 57 CD GLN A 34 1.423 35.501 40.218 1.00 73.12 C ATOM 58 OE1 GLN A 34 2.217 35.949 41.048 1.00 75.52 O ATOM 59 NE2 GLN A 34 0.105 35.597 40.362 1.00 77.97 N ATOM 0 H GLN A 34 2.592 37.542 35.819 1.00 31.58 H new ATOM 0 HA GLN A 34 2.065 37.497 38.469 1.00 33.48 H new ATOM 0 HB2 GLN A 34 0.785 35.730 37.534 1.00 41.15 H new ATOM 0 HB3 GLN A 34 2.088 35.109 36.943 1.00 41.15 H new ATOM 0 HG2 GLN A 34 1.451 33.949 38.871 1.00 62.22 H new ATOM 0 HG3 GLN A 34 2.862 34.582 39.073 1.00 62.22 H new ATOM 0 HE21 GLN A 34 -0.418 35.272 39.761 1.00 77.97 H new ATOM 0 HE22 GLN A 34 -0.225 35.984 41.056 1.00 77.97 H new ATOM 60 N SER A 35 4.455 37.460 38.917 1.00 25.25 N ATOM 61 CA SER A 35 5.892 37.415 39.173 1.00 27.47 C ATOM 62 C SER A 35 6.303 36.258 40.092 1.00 29.32 C ATOM 63 O SER A 35 7.490 36.027 40.325 1.00 32.11 O ATOM 64 CB SER A 35 6.374 38.758 39.737 1.00 24.61 C ATOM 65 OG SER A 35 5.734 39.067 40.962 1.00 30.04 O ATOM 0 H SER A 35 4.003 37.899 39.503 1.00 25.25 H new ATOM 0 HA SER A 35 6.325 37.252 38.320 1.00 27.47 H new ATOM 0 HB2 SER A 35 7.334 38.728 39.871 1.00 24.61 H new ATOM 0 HB3 SER A 35 6.199 39.462 39.093 1.00 24.61 H new ATOM 0 HG SER A 35 6.017 39.804 41.248 1.00 30.04 H new ATOM 66 N ASP A 36 5.312 35.543 40.615 1.00 28.95 N ATOM 67 CA ASP A 36 5.543 34.398 41.491 1.00 29.20 C ATOM 68 C ASP A 36 4.712 33.258 40.914 1.00 27.77 C ATOM 69 O ASP A 36 3.541 33.098 41.255 1.00 31.91 O ATOM 70 CB ASP A 36 5.095 34.728 42.918 1.00 34.78 C ATOM 71 CG ASP A 36 5.240 33.552 43.867 1.00 48.83 C ATOM 72 OD1 ASP A 36 6.370 33.042 44.021 1.00 56.09 O ATOM 73 OD2 ASP A 36 4.219 33.141 44.464 1.00 49.96 O ATOM 0 H ASP A 36 4.481 35.709 40.471 1.00 28.95 H new ATOM 0 HA ASP A 36 6.482 34.161 41.535 1.00 29.20 H new ATOM 0 HB2 ASP A 36 5.617 35.474 43.252 1.00 34.78 H new ATOM 0 HB3 ASP A 36 4.168 35.014 42.904 1.00 34.78 H new ATOM 74 N VAL A 37 5.317 32.483 40.019 1.00 24.11 N ATOM 75 CA VAL A 37 4.612 31.388 39.365 1.00 23.99 C ATOM 76 C VAL A 37 4.882 30.002 39.940 1.00 24.61 C ATOM 77 O VAL A 37 6.028 29.577 40.078 1.00 24.86 O ATOM 78 CB VAL A 37 4.886 31.382 37.842 1.00 22.35 C ATOM 79 CG1 VAL A 37 4.112 30.260 37.161 1.00 23.06 C ATOM 80 CG2 VAL A 37 4.491 32.718 37.240 1.00 18.53 C ATOM 0 H VAL A 37 6.137 32.576 39.777 1.00 24.11 H new ATOM 0 HA VAL A 37 3.676 31.569 39.542 1.00 23.99 H new ATOM 0 HB VAL A 37 5.834 31.234 37.701 1.00 22.35 H new ATOM 0 HG11 VAL A 37 4.296 30.272 36.209 1.00 23.06 H new ATOM 0 HG12 VAL A 37 4.385 29.406 37.532 1.00 23.06 H new ATOM 0 HG13 VAL A 37 3.162 30.387 37.308 1.00 23.06 H new ATOM 0 HG21 VAL A 37 4.665 32.707 36.286 1.00 18.53 H new ATOM 0 HG22 VAL A 37 3.546 32.876 37.394 1.00 18.53 H new ATOM 0 HG23 VAL A 37 5.009 33.426 37.655 1.00 18.53 H new ATOM 81 N GLN A 38 3.795 29.305 40.258 1.00 25.32 N ATOM 82 CA GLN A 38 3.842 27.957 40.808 1.00 24.19 C ATOM 83 C GLN A 38 3.054 27.070 39.861 1.00 23.57 C ATOM 84 O GLN A 38 1.936 27.407 39.476 1.00 25.58 O ATOM 85 CB GLN A 38 3.191 27.919 42.193 1.00 25.69 C ATOM 86 CG GLN A 38 3.814 28.865 43.208 1.00 36.30 C ATOM 87 CD GLN A 38 3.210 28.714 44.595 1.00 50.62 C ATOM 88 OE1 GLN A 38 2.337 27.873 44.821 1.00 55.07 O ATOM 89 NE2 GLN A 38 3.678 29.528 45.533 1.00 55.36 N ATOM 0 H GLN A 38 2.997 29.609 40.158 1.00 25.32 H new ATOM 0 HA GLN A 38 4.761 27.659 40.899 1.00 24.19 H new ATOM 0 HB2 GLN A 38 2.250 28.135 42.102 1.00 25.69 H new ATOM 0 HB3 GLN A 38 3.242 27.014 42.537 1.00 25.69 H new ATOM 0 HG2 GLN A 38 4.769 28.700 43.255 1.00 36.30 H new ATOM 0 HG3 GLN A 38 3.698 29.780 42.906 1.00 36.30 H new ATOM 0 HE21 GLN A 38 4.288 30.103 45.339 1.00 55.36 H new ATOM 0 HE22 GLN A 38 3.372 29.481 46.335 1.00 55.36 H new ATOM 90 N VAL A 39 3.631 25.931 39.495 1.00 21.38 N ATOM 91 CA VAL A 39 2.972 25.013 38.576 1.00 15.35 C ATOM 92 C VAL A 39 3.456 23.593 38.842 1.00 11.70 C ATOM 93 O VAL A 39 4.619 23.385 39.162 1.00 14.67 O ATOM 94 CB VAL A 39 3.268 25.413 37.098 1.00 15.73 C ATOM 95 CG1 VAL A 39 4.757 25.315 36.806 1.00 15.13 C ATOM 96 CG2 VAL A 39 2.478 24.552 36.131 1.00 19.20 C ATOM 0 H VAL A 39 4.404 25.671 39.768 1.00 21.38 H new ATOM 0 HA VAL A 39 2.014 25.058 38.718 1.00 15.35 H new ATOM 0 HB VAL A 39 2.990 26.334 36.976 1.00 15.73 H new ATOM 0 HG11 VAL A 39 4.923 25.567 35.884 1.00 15.13 H new ATOM 0 HG12 VAL A 39 5.243 25.912 37.396 1.00 15.13 H new ATOM 0 HG13 VAL A 39 5.056 24.404 36.951 1.00 15.13 H new ATOM 0 HG21 VAL A 39 2.679 24.820 35.221 1.00 19.20 H new ATOM 0 HG22 VAL A 39 2.720 23.621 36.255 1.00 19.20 H new ATOM 0 HG23 VAL A 39 1.529 24.664 36.298 1.00 19.20 H new ATOM 97 N PRO A 40 2.548 22.607 38.784 1.00 14.18 N ATOM 98 CA PRO A 40 2.923 21.211 39.020 1.00 12.64 C ATOM 99 C PRO A 40 3.950 20.712 38.002 1.00 12.05 C ATOM 100 O PRO A 40 3.953 21.138 36.842 1.00 13.60 O ATOM 101 CB PRO A 40 1.591 20.478 38.862 1.00 9.69 C ATOM 102 CG PRO A 40 0.605 21.474 39.359 1.00 11.32 C ATOM 103 CD PRO A 40 1.082 22.739 38.688 1.00 17.12 C ATOM 0 HA PRO A 40 3.346 21.074 39.882 1.00 12.64 H new ATOM 0 HB2 PRO A 40 1.422 20.234 37.939 1.00 9.69 H new ATOM 0 HB3 PRO A 40 1.567 19.659 39.381 1.00 9.69 H new ATOM 0 HG2 PRO A 40 -0.303 21.246 39.104 1.00 11.32 H new ATOM 0 HG3 PRO A 40 0.618 21.548 40.326 1.00 11.32 H new ATOM 0 HD2 PRO A 40 0.783 22.796 37.767 1.00 17.12 H new ATOM 0 HD3 PRO A 40 0.759 23.534 39.141 1.00 17.12 H new ATOM 104 N GLU A 41 4.824 19.814 38.445 1.00 7.65 N ATOM 105 CA GLU A 41 5.849 19.243 37.581 1.00 9.24 C ATOM 106 C GLU A 41 5.218 18.544 36.379 1.00 13.24 C ATOM 107 O GLU A 41 4.094 18.040 36.460 1.00 12.45 O ATOM 108 CB GLU A 41 6.699 18.247 38.370 1.00 2.77 C ATOM 109 CG GLU A 41 7.917 17.716 37.624 1.00 18.21 C ATOM 110 CD GLU A 41 8.854 16.916 38.516 1.00 16.37 C ATOM 111 OE1 GLU A 41 8.406 15.918 39.117 1.00 26.79 O ATOM 112 OE2 GLU A 41 10.042 17.284 38.616 1.00 20.48 O ATOM 0 H GLU A 41 4.839 19.520 39.253 1.00 7.65 H new ATOM 0 HA GLU A 41 6.412 19.964 37.258 1.00 9.24 H new ATOM 0 HB2 GLU A 41 6.997 18.673 39.189 1.00 2.77 H new ATOM 0 HB3 GLU A 41 6.140 17.497 38.627 1.00 2.77 H new ATOM 0 HG2 GLU A 41 7.622 17.157 36.889 1.00 18.21 H new ATOM 0 HG3 GLU A 41 8.403 18.460 37.237 1.00 18.21 H new ATOM 113 N ASN A 42 5.940 18.560 35.260 1.00 18.50 N ATOM 114 CA ASN A 42 5.520 17.931 34.004 1.00 20.52 C ATOM 115 C ASN A 42 4.404 18.629 33.243 1.00 20.63 C ATOM 116 O ASN A 42 3.966 18.137 32.205 1.00 27.36 O ATOM 117 CB ASN A 42 5.151 16.463 34.225 1.00 25.99 C ATOM 118 CG ASN A 42 6.296 15.660 34.782 1.00 25.10 C ATOM 119 OD1 ASN A 42 7.416 15.726 34.279 1.00 35.56 O ATOM 120 ND2 ASN A 42 6.029 14.907 35.841 1.00 36.54 N ATOM 0 H ASN A 42 6.707 18.946 35.207 1.00 18.50 H new ATOM 0 HA ASN A 42 6.302 18.012 33.436 1.00 20.52 H new ATOM 0 HB2 ASN A 42 4.397 16.410 34.832 1.00 25.99 H new ATOM 0 HB3 ASN A 42 4.866 16.074 33.384 1.00 25.99 H new ATOM 0 HD21 ASN A 42 6.652 14.439 36.204 1.00 36.54 H new ATOM 0 HD22 ASN A 42 5.232 14.887 36.165 1.00 36.54 H new ATOM 121 N GLU A 43 3.938 19.763 33.756 1.00 19.78 N ATOM 122 CA GLU A 43 2.883 20.514 33.089 1.00 14.44 C ATOM 123 C GLU A 43 3.426 21.705 32.320 1.00 16.08 C ATOM 124 O GLU A 43 4.556 22.142 32.538 1.00 19.00 O ATOM 125 CB GLU A 43 1.833 20.988 34.089 1.00 18.64 C ATOM 126 CG GLU A 43 0.786 19.939 34.423 1.00 38.08 C ATOM 127 CD GLU A 43 -0.259 20.434 35.407 1.00 49.83 C ATOM 128 OE1 GLU A 43 -0.520 21.659 35.458 1.00 48.12 O ATOM 129 OE2 GLU A 43 -0.826 19.587 36.132 1.00 53.97 O ATOM 0 H GLU A 43 4.220 20.114 34.489 1.00 19.78 H new ATOM 0 HA GLU A 43 2.471 19.907 32.454 1.00 14.44 H new ATOM 0 HB2 GLU A 43 2.277 21.261 34.907 1.00 18.64 H new ATOM 0 HB3 GLU A 43 1.389 21.773 33.732 1.00 18.64 H new ATOM 0 HG2 GLU A 43 0.346 19.658 33.606 1.00 38.08 H new ATOM 0 HG3 GLU A 43 1.225 19.157 34.792 1.00 38.08 H new ATOM 130 N SER A 44 2.612 22.209 31.400 1.00 19.90 N ATOM 131 CA SER A 44 2.967 23.360 30.582 1.00 21.52 C ATOM 132 C SER A 44 2.746 24.641 31.361 1.00 22.82 C ATOM 133 O SER A 44 1.868 24.718 32.225 1.00 24.77 O ATOM 134 CB SER A 44 2.110 23.403 29.319 1.00 17.49 C ATOM 135 OG SER A 44 2.318 22.246 28.535 1.00 44.69 O ATOM 0 H SER A 44 1.831 21.889 31.232 1.00 19.90 H new ATOM 0 HA SER A 44 3.902 23.278 30.337 1.00 21.52 H new ATOM 0 HB2 SER A 44 1.173 23.472 29.560 1.00 17.49 H new ATOM 0 HB3 SER A 44 2.328 24.194 28.801 1.00 17.49 H new ATOM 0 HG SER A 44 3.103 21.969 28.646 1.00 44.69 H new ATOM 136 N ILE A 45 3.543 25.651 31.042 1.00 22.17 N ATOM 137 CA ILE A 45 3.425 26.941 31.698 1.00 22.48 C ATOM 138 C ILE A 45 3.974 28.032 30.787 1.00 24.04 C ATOM 139 O ILE A 45 4.926 27.814 30.033 1.00 23.08 O ATOM 140 CB ILE A 45 4.155 26.959 33.073 1.00 13.22 C ATOM 141 CG1 ILE A 45 3.855 28.260 33.815 1.00 14.51 C ATOM 142 CG2 ILE A 45 5.649 26.793 32.889 1.00 11.38 C ATOM 143 CD1 ILE A 45 2.379 28.469 34.100 1.00 15.70 C ATOM 0 H ILE A 45 4.161 25.608 30.445 1.00 22.17 H new ATOM 0 HA ILE A 45 2.485 27.107 31.870 1.00 22.48 H new ATOM 0 HB ILE A 45 3.828 26.215 33.602 1.00 13.22 H new ATOM 0 HG12 ILE A 45 4.343 28.265 34.653 1.00 14.51 H new ATOM 0 HG13 ILE A 45 4.184 29.006 33.290 1.00 14.51 H new ATOM 0 HG21 ILE A 45 6.085 26.807 33.755 1.00 11.38 H new ATOM 0 HG22 ILE A 45 5.829 25.947 32.450 1.00 11.38 H new ATOM 0 HG23 ILE A 45 5.991 27.519 32.344 1.00 11.38 H new ATOM 0 HD11 ILE A 45 2.256 29.308 34.571 1.00 15.70 H new ATOM 0 HD12 ILE A 45 1.888 28.492 33.264 1.00 15.70 H new ATOM 0 HD13 ILE A 45 2.049 27.740 34.648 1.00 15.70 H new ATOM 144 N LYS A 46 3.318 29.185 30.811 1.00 23.61 N ATOM 145 CA LYS A 46 3.744 30.313 30.007 1.00 21.22 C ATOM 146 C LYS A 46 4.188 31.434 30.928 1.00 19.98 C ATOM 147 O LYS A 46 3.419 31.886 31.776 1.00 24.26 O ATOM 148 CB LYS A 46 2.601 30.799 29.112 1.00 17.59 C ATOM 149 CG LYS A 46 2.958 32.012 28.264 1.00 14.09 C ATOM 150 CD LYS A 46 1.816 32.411 27.354 1.00 22.07 C ATOM 151 CE LYS A 46 2.168 33.640 26.540 1.00 22.03 C ATOM 152 NZ LYS A 46 1.126 33.933 25.521 1.00 23.66 N ATOM 0 H LYS A 46 2.619 29.332 31.291 1.00 23.61 H new ATOM 0 HA LYS A 46 4.481 30.039 29.438 1.00 21.22 H new ATOM 0 HB2 LYS A 46 2.329 30.075 28.527 1.00 17.59 H new ATOM 0 HB3 LYS A 46 1.836 31.017 29.668 1.00 17.59 H new ATOM 0 HG2 LYS A 46 3.187 32.756 28.843 1.00 14.09 H new ATOM 0 HG3 LYS A 46 3.744 31.815 27.731 1.00 14.09 H new ATOM 0 HD2 LYS A 46 1.602 31.676 26.758 1.00 22.07 H new ATOM 0 HD3 LYS A 46 1.023 32.587 27.884 1.00 22.07 H new ATOM 0 HE2 LYS A 46 2.269 34.403 27.130 1.00 22.03 H new ATOM 0 HE3 LYS A 46 3.023 33.506 26.102 1.00 22.03 H new ATOM 0 HZ1 LYS A 46 1.321 34.697 25.108 1.00 23.66 H new ATOM 0 HZ2 LYS A 46 1.099 33.273 24.925 1.00 23.66 H new ATOM 0 HZ3 LYS A 46 0.333 34.005 25.919 1.00 23.66 H new ATOM 153 N LEU A 47 5.453 31.823 30.821 1.00 18.62 N ATOM 154 CA LEU A 47 5.962 32.923 31.628 1.00 20.06 C ATOM 155 C LEU A 47 5.647 34.173 30.808 1.00 19.53 C ATOM 156 O LEU A 47 6.199 34.368 29.725 1.00 19.93 O ATOM 157 CB LEU A 47 7.467 32.773 31.871 1.00 15.58 C ATOM 158 CG LEU A 47 7.914 31.508 32.615 1.00 15.70 C ATOM 159 CD1 LEU A 47 9.405 31.571 32.892 1.00 14.98 C ATOM 160 CD2 LEU A 47 7.155 31.367 33.922 1.00 19.62 C ATOM 0 H LEU A 47 6.029 31.466 30.291 1.00 18.62 H new ATOM 0 HA LEU A 47 5.559 32.956 32.509 1.00 20.06 H new ATOM 0 HB2 LEU A 47 7.918 32.796 31.012 1.00 15.58 H new ATOM 0 HB3 LEU A 47 7.773 33.545 32.373 1.00 15.58 H new ATOM 0 HG LEU A 47 7.724 30.737 32.058 1.00 15.70 H new ATOM 0 HD11 LEU A 47 9.681 30.769 33.362 1.00 14.98 H new ATOM 0 HD12 LEU A 47 9.888 31.636 32.053 1.00 14.98 H new ATOM 0 HD13 LEU A 47 9.600 32.349 33.438 1.00 14.98 H new ATOM 0 HD21 LEU A 47 7.447 30.564 34.381 1.00 19.62 H new ATOM 0 HD22 LEU A 47 7.328 32.140 34.482 1.00 19.62 H new ATOM 0 HD23 LEU A 47 6.204 31.307 33.739 1.00 19.62 H new ATOM 161 N THR A 48 4.707 34.977 31.298 1.00 16.57 N ATOM 162 CA THR A 48 4.287 36.179 30.589 1.00 13.56 C ATOM 163 C THR A 48 5.192 37.393 30.753 1.00 15.39 C ATOM 164 O THR A 48 5.798 37.604 31.804 1.00 14.38 O ATOM 165 CB THR A 48 2.843 36.572 30.958 1.00 12.98 C ATOM 166 OG1 THR A 48 2.771 36.911 32.349 1.00 13.01 O ATOM 167 CG2 THR A 48 1.892 35.418 30.675 1.00 11.59 C ATOM 0 H THR A 48 4.299 34.842 32.043 1.00 16.57 H new ATOM 0 HA THR A 48 4.348 35.924 29.655 1.00 13.56 H new ATOM 0 HB THR A 48 2.585 37.337 30.421 1.00 12.98 H new ATOM 0 HG1 THR A 48 3.461 37.337 32.570 1.00 13.01 H new ATOM 0 HG21 THR A 48 0.988 35.678 30.911 1.00 11.59 H new ATOM 0 HG22 THR A 48 1.927 35.193 29.732 1.00 11.59 H new ATOM 0 HG23 THR A 48 2.154 34.646 31.201 1.00 11.59 H new ATOM 168 N CYS A 49 5.266 38.186 29.690 1.00 17.20 N ATOM 169 CA CYS A 49 6.067 39.405 29.654 1.00 19.14 C ATOM 170 C CYS A 49 5.435 40.351 28.640 1.00 17.93 C ATOM 171 O CYS A 49 5.619 40.197 27.435 1.00 18.85 O ATOM 172 CB CYS A 49 7.508 39.094 29.233 1.00 16.46 C ATOM 173 SG CYS A 49 8.611 40.547 29.134 1.00 24.87 S ATOM 0 H CYS A 49 4.845 38.029 28.957 1.00 17.20 H new ATOM 0 HA CYS A 49 6.090 39.808 30.536 1.00 19.14 H new ATOM 0 HB2 CYS A 49 7.885 38.460 29.863 1.00 16.46 H new ATOM 0 HB3 CYS A 49 7.491 38.658 28.367 1.00 16.46 H new ATOM 174 N THR A 50 4.657 41.306 29.130 1.00 19.06 N ATOM 175 CA THR A 50 4.007 42.270 28.255 1.00 22.49 C ATOM 176 C THR A 50 4.783 43.582 28.266 1.00 20.25 C ATOM 177 O THR A 50 5.464 43.906 29.236 1.00 22.43 O ATOM 178 CB THR A 50 2.541 42.524 28.685 1.00 23.77 C ATOM 179 OG1 THR A 50 1.834 41.279 28.734 1.00 34.77 O ATOM 180 CG2 THR A 50 1.840 43.430 27.687 1.00 42.85 C ATOM 0 H THR A 50 4.492 41.413 29.967 1.00 19.06 H new ATOM 0 HA THR A 50 3.998 41.903 27.357 1.00 22.49 H new ATOM 0 HB THR A 50 2.549 42.947 29.558 1.00 23.77 H new ATOM 0 HG1 THR A 50 1.039 41.417 28.969 1.00 34.77 H new ATOM 0 HG21 THR A 50 0.925 43.578 27.972 1.00 42.85 H new ATOM 0 HG22 THR A 50 2.305 44.280 27.639 1.00 42.85 H new ATOM 0 HG23 THR A 50 1.842 43.011 26.812 1.00 42.85 H new ATOM 181 N TYR A 51 4.691 44.320 27.168 1.00 21.09 N ATOM 182 CA TYR A 51 5.375 45.599 27.031 1.00 20.58 C ATOM 183 C TYR A 51 4.613 46.536 26.094 1.00 22.86 C ATOM 184 O TYR A 51 3.837 46.091 25.237 1.00 20.81 O ATOM 185 CB TYR A 51 6.801 45.384 26.509 1.00 18.73 C ATOM 186 CG TYR A 51 6.882 44.495 25.286 1.00 14.16 C ATOM 187 CD1 TYR A 51 6.745 45.023 24.002 1.00 14.12 C ATOM 188 CD2 TYR A 51 7.097 43.125 25.413 1.00 12.79 C ATOM 189 CE1 TYR A 51 6.822 44.205 22.874 1.00 15.00 C ATOM 190 CE2 TYR A 51 7.176 42.298 24.293 1.00 5.83 C ATOM 191 CZ TYR A 51 7.039 42.843 23.029 1.00 10.19 C ATOM 192 OH TYR A 51 7.128 42.027 21.922 1.00 22.65 O ATOM 0 H TYR A 51 4.229 44.093 26.479 1.00 21.09 H new ATOM 0 HA TYR A 51 5.414 46.012 27.908 1.00 20.58 H new ATOM 0 HB2 TYR A 51 7.191 46.246 26.297 1.00 18.73 H new ATOM 0 HB3 TYR A 51 7.339 44.995 27.216 1.00 18.73 H new ATOM 0 HD1 TYR A 51 6.600 45.935 23.896 1.00 14.12 H new ATOM 0 HD2 TYR A 51 7.190 42.755 26.261 1.00 12.79 H new ATOM 0 HE1 TYR A 51 6.729 44.570 22.024 1.00 15.00 H new ATOM 0 HE2 TYR A 51 7.320 41.385 24.395 1.00 5.83 H new ATOM 0 HH TYR A 51 7.260 41.235 22.168 1.00 22.65 H new ATOM 193 N SER A 52 4.816 47.835 26.288 1.00 21.68 N ATOM 194 CA SER A 52 4.178 48.848 25.456 1.00 24.55 C ATOM 195 C SER A 52 5.137 50.009 25.243 1.00 23.24 C ATOM 196 O SER A 52 5.987 50.289 26.094 1.00 22.34 O ATOM 197 CB SER A 52 2.870 49.339 26.087 1.00 26.26 C ATOM 198 OG SER A 52 3.055 49.707 27.439 1.00 32.61 O ATOM 0 H SER A 52 5.326 48.153 26.903 1.00 21.68 H new ATOM 0 HA SER A 52 3.959 48.452 24.598 1.00 24.55 H new ATOM 0 HB2 SER A 52 2.533 50.099 25.587 1.00 26.26 H new ATOM 0 HB3 SER A 52 2.199 48.641 26.029 1.00 26.26 H new ATOM 0 HG SER A 52 2.326 49.973 27.760 1.00 32.61 H new ATOM 199 N GLY A 53 5.012 50.660 24.089 1.00 21.75 N ATOM 200 CA GLY A 53 5.874 51.784 23.764 1.00 17.82 C ATOM 201 C GLY A 53 7.020 51.409 22.843 1.00 14.38 C ATOM 202 O GLY A 53 7.823 52.260 22.467 1.00 15.00 O ATOM 0 H GLY A 53 4.434 50.464 23.483 1.00 21.75 H new ATOM 0 HA2 GLY A 53 5.344 52.480 23.345 1.00 17.82 H new ATOM 0 HA3 GLY A 53 6.234 52.156 24.584 1.00 17.82 H new ATOM 203 N PHE A 54 7.098 50.133 22.481 1.00 15.23 N ATOM 204 CA PHE A 54 8.151 49.645 21.600 1.00 13.29 C ATOM 205 C PHE A 54 7.641 49.470 20.178 1.00 16.26 C ATOM 206 O PHE A 54 6.465 49.176 19.963 1.00 17.90 O ATOM 207 CB PHE A 54 8.697 48.313 22.110 1.00 10.41 C ATOM 208 CG PHE A 54 9.301 48.392 23.478 1.00 8.23 C ATOM 209 CD1 PHE A 54 8.511 48.233 24.612 1.00 12.58 C ATOM 210 CD2 PHE A 54 10.661 48.624 23.637 1.00 3.47 C ATOM 211 CE1 PHE A 54 9.070 48.303 25.887 1.00 11.40 C ATOM 212 CE2 PHE A 54 11.231 48.696 24.909 1.00 9.42 C ATOM 213 CZ PHE A 54 10.434 48.536 26.034 1.00 4.43 C ATOM 0 H PHE A 54 6.544 49.528 22.738 1.00 15.23 H new ATOM 0 HA PHE A 54 8.861 50.306 21.596 1.00 13.29 H new ATOM 0 HB2 PHE A 54 7.979 47.661 22.120 1.00 10.41 H new ATOM 0 HB3 PHE A 54 9.367 47.988 21.488 1.00 10.41 H new ATOM 0 HD1 PHE A 54 7.599 48.078 24.518 1.00 12.58 H new ATOM 0 HD2 PHE A 54 11.199 48.733 22.886 1.00 3.47 H new ATOM 0 HE1 PHE A 54 8.532 48.194 26.638 1.00 11.40 H new ATOM 0 HE2 PHE A 54 12.143 48.851 25.003 1.00 9.42 H new ATOM 0 HZ PHE A 54 10.810 48.584 26.883 1.00 4.43 H new ATOM 214 N SER A 55 8.538 49.646 19.213 1.00 17.59 N ATOM 215 CA SER A 55 8.201 49.505 17.803 1.00 15.51 C ATOM 216 C SER A 55 8.839 48.252 17.208 1.00 15.23 C ATOM 217 O SER A 55 8.146 47.409 16.637 1.00 15.18 O ATOM 218 CB SER A 55 8.644 50.748 17.039 1.00 14.68 C ATOM 219 OG SER A 55 8.011 51.895 17.576 1.00 13.12 O ATOM 0 H SER A 55 9.360 49.851 19.359 1.00 17.59 H new ATOM 0 HA SER A 55 7.239 49.411 17.724 1.00 15.51 H new ATOM 0 HB2 SER A 55 9.608 50.845 17.094 1.00 14.68 H new ATOM 0 HB3 SER A 55 8.422 50.656 16.099 1.00 14.68 H new ATOM 0 HG SER A 55 8.260 52.577 17.153 1.00 13.12 H new ATOM 220 N SER A 56 10.156 48.126 17.362 1.00 9.88 N ATOM 221 CA SER A 56 10.898 46.974 16.855 1.00 8.55 C ATOM 222 C SER A 56 11.702 46.396 18.022 1.00 8.21 C ATOM 223 O SER A 56 12.932 46.496 18.070 1.00 11.36 O ATOM 224 CB SER A 56 11.819 47.405 15.708 1.00 6.34 C ATOM 225 OG SER A 56 12.630 46.334 15.256 1.00 19.10 O ATOM 0 H SER A 56 10.645 48.708 17.764 1.00 9.88 H new ATOM 0 HA SER A 56 10.296 46.300 16.503 1.00 8.55 H new ATOM 0 HB2 SER A 56 11.284 47.739 14.971 1.00 6.34 H new ATOM 0 HB3 SER A 56 12.384 48.136 16.003 1.00 6.34 H new ATOM 0 HG SER A 56 13.440 46.544 15.331 1.00 19.10 H new ATOM 226 N PRO A 57 11.008 45.744 18.963 1.00 9.69 N ATOM 227 CA PRO A 57 11.622 45.145 20.151 1.00 10.39 C ATOM 228 C PRO A 57 12.411 43.847 20.000 1.00 11.23 C ATOM 229 O PRO A 57 12.047 42.948 19.235 1.00 11.81 O ATOM 230 CB PRO A 57 10.424 44.943 21.069 1.00 11.03 C ATOM 231 CG PRO A 57 9.352 44.542 20.095 1.00 15.48 C ATOM 232 CD PRO A 57 9.547 45.533 18.966 1.00 12.85 C ATOM 0 HA PRO A 57 12.327 45.733 20.465 1.00 10.39 H new ATOM 0 HB2 PRO A 57 10.587 44.255 21.734 1.00 11.03 H new ATOM 0 HB3 PRO A 57 10.194 45.753 21.550 1.00 11.03 H new ATOM 0 HG2 PRO A 57 9.461 43.626 19.795 1.00 15.48 H new ATOM 0 HG3 PRO A 57 8.466 44.609 20.485 1.00 15.48 H new ATOM 0 HD2 PRO A 57 9.233 45.180 18.119 1.00 12.85 H new ATOM 0 HD3 PRO A 57 9.065 46.359 19.125 1.00 12.85 H new ATOM 233 N ARG A 58 13.511 43.782 20.742 1.00 9.07 N ATOM 234 CA ARG A 58 14.355 42.605 20.796 1.00 8.00 C ATOM 235 C ARG A 58 14.031 42.027 22.170 1.00 8.01 C ATOM 236 O ARG A 58 14.185 42.708 23.181 1.00 7.41 O ATOM 237 CB ARG A 58 15.835 42.980 20.737 1.00 12.42 C ATOM 238 CG ARG A 58 16.754 41.773 20.600 1.00 13.38 C ATOM 239 CD ARG A 58 18.211 42.148 20.757 1.00 14.68 C ATOM 240 NE ARG A 58 18.527 42.545 22.125 1.00 12.51 N ATOM 241 CZ ARG A 58 19.704 43.025 22.513 1.00 9.30 C ATOM 242 NH1 ARG A 58 20.686 43.177 21.636 1.00 12.24 N ATOM 243 NH2 ARG A 58 19.898 43.357 23.782 1.00 2.18 N ATOM 0 H ARG A 58 13.788 44.431 21.233 1.00 9.07 H new ATOM 0 HA ARG A 58 14.199 41.997 20.057 1.00 8.00 H new ATOM 0 HB2 ARG A 58 15.982 43.578 19.987 1.00 12.42 H new ATOM 0 HB3 ARG A 58 16.071 43.470 21.540 1.00 12.42 H new ATOM 0 HG2 ARG A 58 16.518 41.110 21.268 1.00 13.38 H new ATOM 0 HG3 ARG A 58 16.619 41.362 19.732 1.00 13.38 H new ATOM 0 HD2 ARG A 58 18.767 41.395 20.502 1.00 14.68 H new ATOM 0 HD3 ARG A 58 18.424 42.876 20.152 1.00 14.68 H new ATOM 0 HE ARG A 58 17.911 42.463 22.719 1.00 12.51 H new ATOM 0 HH11 ARG A 58 20.563 42.965 20.812 1.00 12.24 H new ATOM 0 HH12 ARG A 58 21.446 43.488 21.891 1.00 12.24 H new ATOM 0 HH21 ARG A 58 19.262 43.262 24.353 1.00 2.18 H new ATOM 0 HH22 ARG A 58 20.659 43.668 24.034 1.00 2.18 H new ATOM 244 N VAL A 59 13.505 40.809 22.202 1.00 8.07 N ATOM 245 CA VAL A 59 13.156 40.178 23.465 1.00 7.62 C ATOM 246 C VAL A 59 14.180 39.110 23.819 1.00 8.87 C ATOM 247 O VAL A 59 14.530 38.277 22.985 1.00 8.77 O ATOM 248 CB VAL A 59 11.755 39.517 23.406 1.00 9.33 C ATOM 249 CG1 VAL A 59 11.402 38.916 24.758 1.00 2.00 C ATOM 250 CG2 VAL A 59 10.696 40.530 22.970 1.00 2.00 C ATOM 0 H VAL A 59 13.343 40.333 21.505 1.00 8.07 H new ATOM 0 HA VAL A 59 13.147 40.874 24.140 1.00 7.62 H new ATOM 0 HB VAL A 59 11.777 38.805 22.748 1.00 9.33 H new ATOM 0 HG11 VAL A 59 10.524 38.505 24.711 1.00 2.00 H new ATOM 0 HG12 VAL A 59 12.060 38.244 24.996 1.00 2.00 H new ATOM 0 HG13 VAL A 59 11.396 39.614 25.431 1.00 2.00 H new ATOM 0 HG21 VAL A 59 9.828 40.098 22.939 1.00 2.00 H new ATOM 0 HG22 VAL A 59 10.669 41.264 23.604 1.00 2.00 H new ATOM 0 HG23 VAL A 59 10.918 40.872 22.090 1.00 2.00 H new ATOM 251 N GLU A 60 14.676 39.149 25.053 1.00 7.33 N ATOM 252 CA GLU A 60 15.644 38.157 25.511 1.00 6.84 C ATOM 253 C GLU A 60 15.264 37.655 26.894 1.00 7.15 C ATOM 254 O GLU A 60 14.591 38.350 27.653 1.00 8.06 O ATOM 255 CB GLU A 60 17.071 38.717 25.488 1.00 2.03 C ATOM 256 CG GLU A 60 17.531 39.072 24.076 1.00 12.60 C ATOM 257 CD GLU A 60 19.024 39.263 23.943 1.00 5.24 C ATOM 258 OE1 GLU A 60 19.668 39.708 24.914 1.00 23.31 O ATOM 259 OE2 GLU A 60 19.554 38.970 22.849 1.00 13.95 O ATOM 0 H GLU A 60 14.465 39.741 25.640 1.00 7.33 H new ATOM 0 HA GLU A 60 15.625 37.405 24.899 1.00 6.84 H new ATOM 0 HB2 GLU A 60 17.115 39.507 26.049 1.00 2.03 H new ATOM 0 HB3 GLU A 60 17.679 38.064 25.869 1.00 2.03 H new ATOM 0 HG2 GLU A 60 17.249 38.370 23.468 1.00 12.60 H new ATOM 0 HG3 GLU A 60 17.084 39.886 23.796 1.00 12.60 H new ATOM 260 N TRP A 61 15.655 36.424 27.198 1.00 8.00 N ATOM 261 CA TRP A 61 15.338 35.817 28.484 1.00 8.48 C ATOM 262 C TRP A 61 16.552 35.136 29.077 1.00 9.20 C ATOM 263 O TRP A 61 17.297 34.453 28.371 1.00 10.47 O ATOM 264 CB TRP A 61 14.241 34.758 28.327 1.00 2.00 C ATOM 265 CG TRP A 61 12.872 35.287 28.109 1.00 2.00 C ATOM 266 CD1 TRP A 61 12.336 35.714 26.931 1.00 7.87 C ATOM 267 CD2 TRP A 61 11.828 35.385 29.085 1.00 14.51 C ATOM 268 NE1 TRP A 61 11.019 36.065 27.108 1.00 16.24 N ATOM 269 CE2 TRP A 61 10.681 35.873 28.421 1.00 11.87 C ATOM 270 CE3 TRP A 61 11.749 35.103 30.457 1.00 19.71 C ATOM 271 CZ2 TRP A 61 9.466 36.086 29.081 1.00 11.03 C ATOM 272 CZ3 TRP A 61 10.540 35.315 31.114 1.00 18.85 C ATOM 273 CH2 TRP A 61 9.414 35.802 30.423 1.00 20.08 C ATOM 0 H TRP A 61 16.108 35.920 26.669 1.00 8.00 H new ATOM 0 HA TRP A 61 15.038 36.531 29.068 1.00 8.48 H new ATOM 0 HB2 TRP A 61 14.472 34.183 27.580 1.00 2.00 H new ATOM 0 HB3 TRP A 61 14.234 34.202 29.122 1.00 2.00 H new ATOM 0 HD1 TRP A 61 12.795 35.761 26.124 1.00 7.87 H new ATOM 0 HE1 TRP A 61 10.493 36.358 26.494 1.00 16.24 H new ATOM 0 HE3 TRP A 61 12.489 34.781 30.918 1.00 19.71 H new ATOM 0 HZ2 TRP A 61 8.721 36.408 28.627 1.00 11.03 H new ATOM 0 HZ3 TRP A 61 10.475 35.132 32.024 1.00 18.85 H new ATOM 0 HH2 TRP A 61 8.618 35.934 30.886 1.00 20.08 H new ATOM 274 N LYS A 62 16.745 35.318 30.378 1.00 9.13 N ATOM 275 CA LYS A 62 17.853 34.673 31.061 1.00 13.92 C ATOM 276 C LYS A 62 17.363 33.941 32.298 1.00 12.85 C ATOM 277 O LYS A 62 16.379 34.339 32.928 1.00 9.23 O ATOM 278 CB LYS A 62 18.988 35.653 31.387 1.00 16.95 C ATOM 279 CG LYS A 62 18.719 36.689 32.455 1.00 17.55 C ATOM 280 CD LYS A 62 19.994 37.498 32.652 1.00 27.96 C ATOM 281 CE LYS A 62 19.876 38.536 33.744 1.00 30.30 C ATOM 282 NZ LYS A 62 21.135 39.323 33.839 1.00 34.07 N ATOM 0 H LYS A 62 16.248 35.809 30.879 1.00 9.13 H new ATOM 0 HA LYS A 62 18.230 34.018 30.453 1.00 13.92 H new ATOM 0 HB2 LYS A 62 19.763 35.136 31.657 1.00 16.95 H new ATOM 0 HB3 LYS A 62 19.228 36.118 30.570 1.00 16.95 H new ATOM 0 HG2 LYS A 62 17.987 37.268 32.190 1.00 17.55 H new ATOM 0 HG3 LYS A 62 18.456 36.261 33.285 1.00 17.55 H new ATOM 0 HD2 LYS A 62 20.723 36.895 32.864 1.00 27.96 H new ATOM 0 HD3 LYS A 62 20.223 37.938 31.819 1.00 27.96 H new ATOM 0 HE2 LYS A 62 19.130 39.127 33.559 1.00 30.30 H new ATOM 0 HE3 LYS A 62 19.692 38.104 34.593 1.00 30.30 H new ATOM 0 HZ1 LYS A 62 21.057 39.931 34.484 1.00 34.07 H new ATOM 0 HZ2 LYS A 62 21.813 38.778 34.027 1.00 34.07 H new ATOM 0 HZ3 LYS A 62 21.289 39.731 33.063 1.00 34.07 H new ATOM 283 N PHE A 63 18.022 32.821 32.577 1.00 12.88 N ATOM 284 CA PHE A 63 17.698 31.956 33.699 1.00 11.89 C ATOM 285 C PHE A 63 18.812 31.992 34.730 1.00 13.43 C ATOM 286 O PHE A 63 19.965 31.709 34.422 1.00 15.18 O ATOM 287 CB PHE A 63 17.494 30.525 33.188 1.00 9.89 C ATOM 288 CG PHE A 63 17.309 29.501 34.274 1.00 11.26 C ATOM 289 CD1 PHE A 63 16.288 29.629 35.211 1.00 16.34 C ATOM 290 CD2 PHE A 63 18.143 28.392 34.343 1.00 17.62 C ATOM 291 CE1 PHE A 63 16.098 28.665 36.201 1.00 14.10 C ATOM 292 CE2 PHE A 63 17.962 27.422 35.329 1.00 22.03 C ATOM 293 CZ PHE A 63 16.935 27.561 36.259 1.00 17.88 C ATOM 0 H PHE A 63 18.685 32.539 32.107 1.00 12.88 H new ATOM 0 HA PHE A 63 16.882 32.268 34.121 1.00 11.89 H new ATOM 0 HB2 PHE A 63 16.718 30.508 32.606 1.00 9.89 H new ATOM 0 HB3 PHE A 63 18.259 30.273 32.648 1.00 9.89 H new ATOM 0 HD1 PHE A 63 15.724 30.368 35.177 1.00 16.34 H new ATOM 0 HD2 PHE A 63 18.830 28.295 33.724 1.00 17.62 H new ATOM 0 HE1 PHE A 63 15.412 28.762 36.821 1.00 14.10 H new ATOM 0 HE2 PHE A 63 18.526 26.684 35.365 1.00 22.03 H new ATOM 0 HZ PHE A 63 16.811 26.915 36.917 1.00 17.88 H new ATOM 294 N VAL A 64 18.455 32.363 35.953 1.00 20.03 N ATOM 295 CA VAL A 64 19.409 32.428 37.051 1.00 23.18 C ATOM 296 C VAL A 64 19.003 31.451 38.150 1.00 28.49 C ATOM 297 O VAL A 64 17.876 31.482 38.652 1.00 29.40 O ATOM 298 CB VAL A 64 19.520 33.865 37.632 1.00 25.61 C ATOM 299 CG1 VAL A 64 20.360 33.867 38.904 1.00 24.94 C ATOM 300 CG2 VAL A 64 20.151 34.796 36.601 1.00 23.23 C ATOM 0 H VAL A 64 17.653 32.584 36.170 1.00 20.03 H new ATOM 0 HA VAL A 64 20.280 32.182 36.702 1.00 23.18 H new ATOM 0 HB VAL A 64 18.627 34.178 37.847 1.00 25.61 H new ATOM 0 HG11 VAL A 64 20.418 34.771 39.252 1.00 24.94 H new ATOM 0 HG12 VAL A 64 19.946 33.292 39.566 1.00 24.94 H new ATOM 0 HG13 VAL A 64 21.251 33.540 38.704 1.00 24.94 H new ATOM 0 HG21 VAL A 64 20.217 35.691 36.970 1.00 23.23 H new ATOM 0 HG22 VAL A 64 21.037 34.474 36.374 1.00 23.23 H new ATOM 0 HG23 VAL A 64 19.600 34.816 35.803 1.00 23.23 H new ATOM 301 N GLN A 65 19.924 30.553 38.476 1.00 31.73 N ATOM 302 CA GLN A 65 19.720 29.553 39.511 1.00 36.85 C ATOM 303 C GLN A 65 21.072 29.428 40.195 1.00 40.36 C ATOM 304 O GLN A 65 22.021 28.903 39.609 1.00 41.92 O ATOM 305 CB GLN A 65 19.317 28.218 38.889 1.00 38.00 C ATOM 306 CG GLN A 65 19.016 27.125 39.899 1.00 44.21 C ATOM 307 CD GLN A 65 18.774 25.782 39.236 1.00 55.56 C ATOM 308 OE1 GLN A 65 19.579 25.324 38.422 1.00 51.82 O ATOM 309 NE2 GLN A 65 17.658 25.145 39.577 1.00 56.43 N ATOM 0 H GLN A 65 20.694 30.508 38.097 1.00 31.73 H new ATOM 0 HA GLN A 65 19.014 29.801 40.128 1.00 36.85 H new ATOM 0 HB2 GLN A 65 18.534 28.355 38.333 1.00 38.00 H new ATOM 0 HB3 GLN A 65 20.030 27.917 38.305 1.00 38.00 H new ATOM 0 HG2 GLN A 65 19.757 27.048 40.520 1.00 44.21 H new ATOM 0 HG3 GLN A 65 18.235 27.373 40.418 1.00 44.21 H new ATOM 0 HE21 GLN A 65 17.120 25.496 40.149 1.00 56.43 H new ATOM 0 HE22 GLN A 65 17.474 24.382 39.226 1.00 56.43 H new ATOM 310 N GLY A 66 21.158 29.937 41.422 1.00 43.30 N ATOM 311 CA GLY A 66 22.412 29.902 42.151 1.00 43.91 C ATOM 312 C GLY A 66 23.365 30.884 41.497 1.00 47.25 C ATOM 313 O GLY A 66 23.064 32.077 41.407 1.00 47.59 O ATOM 0 H GLY A 66 20.504 30.304 41.844 1.00 43.30 H new ATOM 0 HA2 GLY A 66 22.270 30.137 43.081 1.00 43.91 H new ATOM 0 HA3 GLY A 66 22.786 29.007 42.138 1.00 43.91 H new ATOM 314 N SER A 67 24.491 30.380 41.002 1.00 49.31 N ATOM 315 CA SER A 67 25.489 31.218 40.336 1.00 53.35 C ATOM 316 C SER A 67 25.433 31.046 38.814 1.00 51.15 C ATOM 317 O SER A 67 26.053 31.810 38.068 1.00 50.47 O ATOM 318 CB SER A 67 26.894 30.876 40.845 1.00 59.98 C ATOM 319 OG SER A 67 27.236 29.530 40.547 1.00 66.33 O ATOM 0 H SER A 67 24.699 29.547 41.041 1.00 49.31 H new ATOM 0 HA SER A 67 25.287 32.143 40.546 1.00 53.35 H new ATOM 0 HB2 SER A 67 27.542 31.474 40.440 1.00 59.98 H new ATOM 0 HB3 SER A 67 26.937 31.018 41.804 1.00 59.98 H new ATOM 0 HG SER A 67 28.009 29.367 40.834 1.00 66.33 H new ATOM 320 N THR A 68 24.686 30.035 38.373 1.00 49.77 N ATOM 321 CA THR A 68 24.521 29.716 36.956 1.00 46.37 C ATOM 322 C THR A 68 23.641 30.727 36.222 1.00 40.22 C ATOM 323 O THR A 68 22.515 31.003 36.640 1.00 41.44 O ATOM 324 CB THR A 68 23.890 28.310 36.777 1.00 52.09 C ATOM 325 OG1 THR A 68 24.695 27.331 37.444 1.00 61.08 O ATOM 326 CG2 THR A 68 23.784 27.944 35.298 1.00 61.02 C ATOM 0 H THR A 68 24.254 29.507 38.897 1.00 49.77 H new ATOM 0 HA THR A 68 25.412 29.743 36.573 1.00 46.37 H new ATOM 0 HB THR A 68 22.999 28.327 37.161 1.00 52.09 H new ATOM 0 HG1 THR A 68 24.350 26.571 37.347 1.00 61.08 H new ATOM 0 HG21 THR A 68 23.388 27.063 35.210 1.00 61.02 H new ATOM 0 HG22 THR A 68 23.228 28.595 34.842 1.00 61.02 H new ATOM 0 HG23 THR A 68 24.669 27.941 34.901 1.00 61.02 H new ATOM 327 N THR A 69 24.162 31.269 35.126 1.00 36.32 N ATOM 328 CA THR A 69 23.423 32.228 34.309 1.00 32.33 C ATOM 329 C THR A 69 23.367 31.720 32.869 1.00 28.19 C ATOM 330 O THR A 69 24.396 31.650 32.188 1.00 29.73 O ATOM 331 CB THR A 69 24.077 33.628 34.324 1.00 32.67 C ATOM 332 OG1 THR A 69 24.243 34.069 35.678 1.00 37.66 O ATOM 333 CG2 THR A 69 23.199 34.629 33.583 1.00 31.56 C ATOM 0 H THR A 69 24.952 31.092 34.835 1.00 36.32 H new ATOM 0 HA THR A 69 22.531 32.311 34.682 1.00 32.33 H new ATOM 0 HB THR A 69 24.940 33.571 33.886 1.00 32.67 H new ATOM 0 HG1 THR A 69 24.600 34.829 35.683 1.00 37.66 H new ATOM 0 HG21 THR A 69 23.620 35.503 33.599 1.00 31.56 H new ATOM 0 HG22 THR A 69 23.086 34.342 32.663 1.00 31.56 H new ATOM 0 HG23 THR A 69 22.332 34.680 34.014 1.00 31.56 H new ATOM 334 N ALA A 70 22.169 31.351 32.420 1.00 19.97 N ATOM 335 CA ALA A 70 21.972 30.846 31.062 1.00 18.88 C ATOM 336 C ALA A 70 20.940 31.660 30.283 1.00 18.09 C ATOM 337 O ALA A 70 19.962 32.148 30.851 1.00 17.68 O ATOM 338 CB ALA A 70 21.547 29.378 31.103 1.00 13.27 C ATOM 0 H ALA A 70 21.450 31.386 32.891 1.00 19.97 H new ATOM 0 HA ALA A 70 22.821 30.931 30.600 1.00 18.88 H new ATOM 0 HB1 ALA A 70 21.419 29.053 30.198 1.00 13.27 H new ATOM 0 HB2 ALA A 70 22.236 28.854 31.540 1.00 13.27 H new ATOM 0 HB3 ALA A 70 20.716 29.295 31.597 1.00 13.27 H new ATOM 339 N LEU A 71 21.172 31.828 28.985 1.00 13.63 N ATOM 340 CA LEU A 71 20.227 32.556 28.149 1.00 12.11 C ATOM 341 C LEU A 71 19.210 31.574 27.577 1.00 10.72 C ATOM 342 O LEU A 71 19.574 30.532 27.039 1.00 9.56 O ATOM 343 CB LEU A 71 20.938 33.291 27.011 1.00 10.22 C ATOM 344 CG LEU A 71 21.835 34.473 27.380 1.00 18.11 C ATOM 345 CD1 LEU A 71 22.234 35.202 26.116 1.00 23.02 C ATOM 346 CD2 LEU A 71 21.111 35.425 28.310 1.00 21.96 C ATOM 0 H LEU A 71 21.865 31.531 28.572 1.00 13.63 H new ATOM 0 HA LEU A 71 19.779 33.221 28.695 1.00 12.11 H new ATOM 0 HB2 LEU A 71 21.478 32.645 26.530 1.00 10.22 H new ATOM 0 HB3 LEU A 71 20.262 33.611 26.394 1.00 10.22 H new ATOM 0 HG LEU A 71 22.624 34.141 27.836 1.00 18.11 H new ATOM 0 HD11 LEU A 71 22.804 35.954 26.342 1.00 23.02 H new ATOM 0 HD12 LEU A 71 22.716 34.596 25.531 1.00 23.02 H new ATOM 0 HD13 LEU A 71 21.439 35.524 25.663 1.00 23.02 H new ATOM 0 HD21 LEU A 71 21.695 36.167 28.533 1.00 21.96 H new ATOM 0 HD22 LEU A 71 20.314 35.762 27.872 1.00 21.96 H new ATOM 0 HD23 LEU A 71 20.860 34.957 29.122 1.00 21.96 H new ATOM 347 N VAL A 72 17.931 31.889 27.740 1.00 9.44 N ATOM 348 CA VAL A 72 16.864 31.037 27.232 1.00 9.54 C ATOM 349 C VAL A 72 16.430 31.572 25.874 1.00 10.68 C ATOM 350 O VAL A 72 16.069 30.816 24.972 1.00 9.94 O ATOM 351 CB VAL A 72 15.650 31.036 28.188 1.00 4.62 C ATOM 352 CG1 VAL A 72 14.526 30.159 27.632 1.00 2.00 C ATOM 353 CG2 VAL A 72 16.074 30.556 29.561 1.00 6.57 C ATOM 0 H VAL A 72 17.658 32.597 28.145 1.00 9.44 H new ATOM 0 HA VAL A 72 17.193 30.127 27.159 1.00 9.54 H new ATOM 0 HB VAL A 72 15.313 31.942 28.265 1.00 4.62 H new ATOM 0 HG11 VAL A 72 13.774 30.170 28.244 1.00 2.00 H new ATOM 0 HG12 VAL A 72 14.245 30.501 26.769 1.00 2.00 H new ATOM 0 HG13 VAL A 72 14.846 29.249 27.530 1.00 2.00 H new ATOM 0 HG21 VAL A 72 15.308 30.558 30.156 1.00 6.57 H new ATOM 0 HG22 VAL A 72 16.429 29.656 29.494 1.00 6.57 H new ATOM 0 HG23 VAL A 72 16.758 31.147 29.914 1.00 6.57 H new ATOM 354 N CYS A 73 16.480 32.891 25.743 1.00 12.00 N ATOM 355 CA CYS A 73 16.091 33.554 24.515 1.00 9.17 C ATOM 356 C CYS A 73 17.125 34.618 24.174 1.00 10.30 C ATOM 357 O CYS A 73 17.479 35.449 25.013 1.00 11.87 O ATOM 358 CB CYS A 73 14.703 34.179 24.680 1.00 2.00 C ATOM 359 SG CYS A 73 13.944 34.734 23.149 1.00 14.56 S ATOM 0 H CYS A 73 16.741 33.424 26.365 1.00 12.00 H new ATOM 0 HA CYS A 73 16.050 32.910 23.790 1.00 9.17 H new ATOM 0 HB2 CYS A 73 14.117 33.530 25.101 1.00 2.00 H new ATOM 0 HB3 CYS A 73 14.771 34.934 25.285 1.00 2.00 H new ATOM 0 HG CYS A 73 12.752 34.620 23.229 1.00 14.56 H new ATOM 360 N TYR A 74 17.636 34.548 22.950 1.00 8.09 N ATOM 361 CA TYR A 74 18.633 35.482 22.449 1.00 7.47 C ATOM 362 C TYR A 74 18.111 36.050 21.133 1.00 8.91 C ATOM 363 O TYR A 74 17.692 35.305 20.248 1.00 7.76 O ATOM 364 CB TYR A 74 19.965 34.754 22.232 1.00 7.07 C ATOM 365 CG TYR A 74 21.042 35.565 21.535 1.00 12.95 C ATOM 366 CD1 TYR A 74 21.095 35.638 20.139 1.00 9.59 C ATOM 367 CD2 TYR A 74 22.028 36.234 22.266 1.00 4.17 C ATOM 368 CE1 TYR A 74 22.104 36.356 19.486 1.00 11.40 C ATOM 369 CE2 TYR A 74 23.045 36.953 21.621 1.00 3.26 C ATOM 370 CZ TYR A 74 23.073 37.008 20.233 1.00 11.21 C ATOM 371 OH TYR A 74 24.064 37.713 19.584 1.00 24.01 O ATOM 0 H TYR A 74 17.409 33.946 22.379 1.00 8.09 H new ATOM 0 HA TYR A 74 18.786 36.199 23.084 1.00 7.47 H new ATOM 0 HB2 TYR A 74 20.304 34.467 23.094 1.00 7.07 H new ATOM 0 HB3 TYR A 74 19.797 33.952 21.712 1.00 7.07 H new ATOM 0 HD1 TYR A 74 20.447 35.201 19.635 1.00 9.59 H new ATOM 0 HD2 TYR A 74 22.009 36.202 23.195 1.00 4.17 H new ATOM 0 HE1 TYR A 74 22.124 36.395 18.557 1.00 11.40 H new ATOM 0 HE2 TYR A 74 23.697 37.390 22.120 1.00 3.26 H new ATOM 0 HH TYR A 74 24.580 38.057 20.150 1.00 24.01 H new ATOM 372 N ASN A 75 18.114 37.375 21.026 1.00 10.21 N ATOM 373 CA ASN A 75 17.641 38.069 19.834 1.00 9.83 C ATOM 374 C ASN A 75 16.249 37.588 19.386 1.00 12.54 C ATOM 375 O ASN A 75 16.015 37.349 18.200 1.00 16.51 O ATOM 376 CB ASN A 75 18.669 37.933 18.706 1.00 3.94 C ATOM 377 CG ASN A 75 18.455 38.942 17.588 1.00 21.25 C ATOM 378 OD1 ASN A 75 17.720 39.925 17.739 1.00 16.30 O ATOM 379 ND2 ASN A 75 19.109 38.708 16.458 1.00 27.14 N ATOM 0 H ASN A 75 18.393 37.900 21.648 1.00 10.21 H new ATOM 0 HA ASN A 75 17.544 39.008 20.058 1.00 9.83 H new ATOM 0 HB2 ASN A 75 19.560 38.046 19.071 1.00 3.94 H new ATOM 0 HB3 ASN A 75 18.624 37.036 18.339 1.00 3.94 H new ATOM 0 HD21 ASN A 75 19.030 39.250 15.795 1.00 27.14 H new ATOM 0 HD22 ASN A 75 19.612 38.014 16.388 1.00 27.14 H new ATOM 380 N SER A 76 15.343 37.443 20.354 1.00 15.46 N ATOM 381 CA SER A 76 13.959 37.010 20.124 1.00 16.60 C ATOM 382 C SER A 76 13.842 35.569 19.632 1.00 15.99 C ATOM 383 O SER A 76 12.829 35.169 19.056 1.00 14.31 O ATOM 384 CB SER A 76 13.253 37.963 19.148 1.00 13.75 C ATOM 385 OG SER A 76 13.089 39.248 19.723 1.00 11.39 O ATOM 0 H SER A 76 15.518 37.597 21.182 1.00 15.46 H new ATOM 0 HA SER A 76 13.520 37.040 20.989 1.00 16.60 H new ATOM 0 HB2 SER A 76 13.769 38.034 18.330 1.00 13.75 H new ATOM 0 HB3 SER A 76 12.387 37.600 18.906 1.00 13.75 H new ATOM 0 HG SER A 76 13.547 39.807 19.295 1.00 11.39 H new ATOM 386 N GLN A 77 14.850 34.772 19.948 1.00 16.45 N ATOM 387 CA GLN A 77 14.885 33.388 19.510 1.00 17.96 C ATOM 388 C GLN A 77 15.324 32.465 20.648 1.00 14.85 C ATOM 389 O GLN A 77 16.291 32.746 21.359 1.00 13.70 O ATOM 390 CB GLN A 77 15.862 33.288 18.337 1.00 20.37 C ATOM 391 CG GLN A 77 15.708 32.074 17.462 1.00 43.01 C ATOM 392 CD GLN A 77 16.651 32.116 16.274 1.00 56.12 C ATOM 393 OE1 GLN A 77 16.527 32.981 15.400 1.00 52.97 O ATOM 394 NE2 GLN A 77 17.610 31.191 16.242 1.00 45.36 N ATOM 0 H GLN A 77 15.528 35.015 20.418 1.00 16.45 H new ATOM 0 HA GLN A 77 13.998 33.108 19.236 1.00 17.96 H new ATOM 0 HB2 GLN A 77 15.761 34.079 17.785 1.00 20.37 H new ATOM 0 HB3 GLN A 77 16.766 33.301 18.688 1.00 20.37 H new ATOM 0 HG2 GLN A 77 15.880 31.275 17.984 1.00 43.01 H new ATOM 0 HG3 GLN A 77 14.792 32.016 17.147 1.00 43.01 H new ATOM 0 HE21 GLN A 77 17.664 30.605 16.869 1.00 45.36 H new ATOM 0 HE22 GLN A 77 18.175 31.180 15.594 1.00 45.36 H new ATOM 395 N ILE A 78 14.605 31.364 20.818 1.00 11.79 N ATOM 396 CA ILE A 78 14.932 30.399 21.859 1.00 11.41 C ATOM 397 C ILE A 78 16.288 29.771 21.551 1.00 13.90 C ATOM 398 O ILE A 78 16.548 29.368 20.411 1.00 14.54 O ATOM 399 CB ILE A 78 13.860 29.299 21.950 1.00 8.63 C ATOM 400 CG1 ILE A 78 12.485 29.929 22.190 1.00 2.00 C ATOM 401 CG2 ILE A 78 14.207 28.316 23.057 1.00 8.06 C ATOM 402 CD1 ILE A 78 12.439 30.895 23.378 1.00 2.88 C ATOM 0 H ILE A 78 13.921 31.156 20.340 1.00 11.79 H new ATOM 0 HA ILE A 78 14.964 30.860 22.712 1.00 11.41 H new ATOM 0 HB ILE A 78 13.833 28.812 21.112 1.00 8.63 H new ATOM 0 HG12 ILE A 78 12.213 30.403 21.389 1.00 2.00 H new ATOM 0 HG13 ILE A 78 11.837 29.222 22.335 1.00 2.00 H new ATOM 0 HG21 ILE A 78 13.525 27.628 23.105 1.00 8.06 H new ATOM 0 HG22 ILE A 78 15.066 27.907 22.869 1.00 8.06 H new ATOM 0 HG23 ILE A 78 14.252 28.786 23.905 1.00 8.06 H new ATOM 0 HD11 ILE A 78 11.542 31.254 23.469 1.00 2.88 H new ATOM 0 HD12 ILE A 78 12.682 30.422 24.189 1.00 2.88 H new ATOM 0 HD13 ILE A 78 13.064 31.622 23.229 1.00 2.88 H new ATOM 403 N THR A 79 17.159 29.734 22.559 1.00 11.91 N ATOM 404 CA THR A 79 18.503 29.174 22.416 1.00 8.01 C ATOM 405 C THR A 79 18.494 27.660 22.273 1.00 10.95 C ATOM 406 O THR A 79 17.533 26.998 22.663 1.00 11.35 O ATOM 407 CB THR A 79 19.386 29.547 23.599 1.00 8.41 C ATOM 408 OG1 THR A 79 18.758 29.115 24.808 1.00 11.39 O ATOM 409 CG2 THR A 79 19.602 31.049 23.649 1.00 8.03 C ATOM 0 H THR A 79 16.987 30.034 23.347 1.00 11.91 H new ATOM 0 HA THR A 79 18.863 29.558 21.601 1.00 8.01 H new ATOM 0 HB THR A 79 20.248 29.113 23.499 1.00 8.41 H new ATOM 0 HG1 THR A 79 19.051 29.566 25.453 1.00 11.39 H new ATOM 0 HG21 THR A 79 20.166 31.270 24.407 1.00 8.03 H new ATOM 0 HG22 THR A 79 20.032 31.342 22.830 1.00 8.03 H new ATOM 0 HG23 THR A 79 18.746 31.496 23.742 1.00 8.03 H new ATOM 410 N ALA A 80 19.596 27.121 21.758 1.00 11.20 N ATOM 411 CA ALA A 80 19.743 25.683 21.514 1.00 14.56 C ATOM 412 C ALA A 80 19.349 24.713 22.636 1.00 13.07 C ATOM 413 O ALA A 80 18.529 23.819 22.425 1.00 11.08 O ATOM 414 CB ALA A 80 21.155 25.378 21.024 1.00 9.61 C ATOM 0 H ALA A 80 20.288 27.582 21.537 1.00 11.20 H new ATOM 0 HA ALA A 80 19.073 25.508 20.835 1.00 14.56 H new ATOM 0 HB1 ALA A 80 21.244 24.425 20.865 1.00 9.61 H new ATOM 0 HB2 ALA A 80 21.323 25.860 20.199 1.00 9.61 H new ATOM 0 HB3 ALA A 80 21.798 25.655 21.696 1.00 9.61 H new ATOM 415 N PRO A 81 19.916 24.881 23.844 1.00 14.78 N ATOM 416 CA PRO A 81 19.563 23.965 24.933 1.00 13.80 C ATOM 417 C PRO A 81 18.104 24.006 25.392 1.00 15.80 C ATOM 418 O PRO A 81 17.657 23.120 26.121 1.00 21.50 O ATOM 419 CB PRO A 81 20.535 24.367 26.042 1.00 11.24 C ATOM 420 CG PRO A 81 20.757 25.829 25.789 1.00 15.25 C ATOM 421 CD PRO A 81 20.908 25.878 24.295 1.00 10.49 C ATOM 0 HA PRO A 81 19.641 23.041 24.647 1.00 13.80 H new ATOM 0 HB2 PRO A 81 20.160 24.209 26.922 1.00 11.24 H new ATOM 0 HB3 PRO A 81 21.363 23.865 25.992 1.00 11.24 H new ATOM 0 HG2 PRO A 81 20.010 26.366 26.095 1.00 15.25 H new ATOM 0 HG3 PRO A 81 21.548 26.159 26.243 1.00 15.25 H new ATOM 0 HD2 PRO A 81 20.720 26.761 23.941 1.00 10.49 H new ATOM 0 HD3 PRO A 81 21.807 25.646 24.015 1.00 10.49 H new ATOM 422 N TYR A 82 17.355 25.008 24.940 1.00 17.47 N ATOM 423 CA TYR A 82 15.946 25.146 25.320 1.00 15.63 C ATOM 424 C TYR A 82 14.992 25.000 24.142 1.00 14.72 C ATOM 425 O TYR A 82 13.778 24.915 24.331 1.00 15.68 O ATOM 426 CB TYR A 82 15.702 26.510 25.979 1.00 10.12 C ATOM 427 CG TYR A 82 16.222 26.631 27.396 1.00 14.88 C ATOM 428 CD1 TYR A 82 15.452 26.201 28.476 1.00 9.42 C ATOM 429 CD2 TYR A 82 17.479 27.174 27.659 1.00 19.45 C ATOM 430 CE1 TYR A 82 15.918 26.306 29.780 1.00 13.50 C ATOM 431 CE2 TYR A 82 17.958 27.282 28.967 1.00 17.32 C ATOM 432 CZ TYR A 82 17.169 26.845 30.021 1.00 20.33 C ATOM 433 OH TYR A 82 17.630 26.934 31.315 1.00 29.93 O ATOM 0 H TYR A 82 17.642 25.622 24.410 1.00 17.47 H new ATOM 0 HA TYR A 82 15.765 24.425 25.943 1.00 15.63 H new ATOM 0 HB2 TYR A 82 16.118 27.197 25.435 1.00 10.12 H new ATOM 0 HB3 TYR A 82 14.749 26.688 25.981 1.00 10.12 H new ATOM 0 HD1 TYR A 82 14.610 25.837 28.320 1.00 9.42 H new ATOM 0 HD2 TYR A 82 18.007 27.469 26.953 1.00 19.45 H new ATOM 0 HE1 TYR A 82 15.391 26.015 30.489 1.00 13.50 H new ATOM 0 HE2 TYR A 82 18.799 27.644 29.130 1.00 17.32 H new ATOM 0 HH TYR A 82 18.397 27.277 31.316 1.00 29.93 H new ATOM 434 N ALA A 83 15.542 24.930 22.935 1.00 11.57 N ATOM 435 CA ALA A 83 14.734 24.853 21.720 1.00 13.72 C ATOM 436 C ALA A 83 13.779 23.675 21.590 1.00 16.08 C ATOM 437 O ALA A 83 12.804 23.756 20.844 1.00 14.52 O ATOM 438 CB ALA A 83 15.629 24.937 20.487 1.00 13.45 C ATOM 0 H ALA A 83 16.391 24.926 22.796 1.00 11.57 H new ATOM 0 HA ALA A 83 14.144 25.620 21.791 1.00 13.72 H new ATOM 0 HB1 ALA A 83 15.083 24.885 19.687 1.00 13.45 H new ATOM 0 HB2 ALA A 83 16.112 25.778 20.494 1.00 13.45 H new ATOM 0 HB3 ALA A 83 16.261 24.201 20.495 1.00 13.45 H new ATOM 439 N ASP A 84 14.040 22.600 22.329 1.00 17.39 N ATOM 440 CA ASP A 84 13.212 21.400 22.255 1.00 16.74 C ATOM 441 C ASP A 84 11.939 21.424 23.085 1.00 16.88 C ATOM 442 O ASP A 84 11.059 20.595 22.880 1.00 19.85 O ATOM 443 CB ASP A 84 14.039 20.159 22.614 1.00 26.77 C ATOM 444 CG ASP A 84 14.490 20.150 24.066 1.00 36.07 C ATOM 445 OD1 ASP A 84 15.440 20.886 24.404 1.00 49.66 O ATOM 446 OD2 ASP A 84 13.894 19.405 24.872 1.00 50.07 O ATOM 0 H ASP A 84 14.696 22.546 22.883 1.00 17.39 H new ATOM 0 HA ASP A 84 12.914 21.368 21.333 1.00 16.74 H new ATOM 0 HB2 ASP A 84 13.513 19.363 22.438 1.00 26.77 H new ATOM 0 HB3 ASP A 84 14.818 20.117 22.038 1.00 26.77 H new ATOM 447 N ARG A 85 11.830 22.365 24.018 1.00 20.98 N ATOM 448 CA ARG A 85 10.638 22.434 24.866 1.00 17.93 C ATOM 449 C ARG A 85 10.130 23.841 25.183 1.00 15.58 C ATOM 450 O ARG A 85 9.128 23.993 25.878 1.00 20.02 O ATOM 451 CB ARG A 85 10.867 21.650 26.162 1.00 18.79 C ATOM 452 CG ARG A 85 12.038 22.143 26.983 1.00 26.87 C ATOM 453 CD ARG A 85 12.324 21.224 28.154 1.00 32.60 C ATOM 454 NE ARG A 85 13.413 21.756 28.966 1.00 32.92 N ATOM 455 CZ ARG A 85 13.256 22.277 30.179 1.00 24.33 C ATOM 456 NH1 ARG A 85 12.057 22.316 30.746 1.00 14.80 N ATOM 457 NH2 ARG A 85 14.308 22.744 30.833 1.00 31.31 N ATOM 0 H ARG A 85 12.424 22.966 24.177 1.00 20.98 H new ATOM 0 HA ARG A 85 9.933 22.030 24.336 1.00 17.93 H new ATOM 0 HB2 ARG A 85 10.063 21.696 26.703 1.00 18.79 H new ATOM 0 HB3 ARG A 85 11.009 20.716 25.943 1.00 18.79 H new ATOM 0 HG2 ARG A 85 12.825 22.206 26.420 1.00 26.87 H new ATOM 0 HG3 ARG A 85 11.851 23.037 27.310 1.00 26.87 H new ATOM 0 HD2 ARG A 85 11.526 21.125 28.697 1.00 32.60 H new ATOM 0 HD3 ARG A 85 12.557 20.340 27.829 1.00 32.60 H new ATOM 0 HE ARG A 85 14.208 21.731 28.639 1.00 32.92 H new ATOM 0 HH11 ARG A 85 11.374 22.003 30.329 1.00 14.80 H new ATOM 0 HH12 ARG A 85 11.963 22.655 31.531 1.00 14.80 H new ATOM 0 HH21 ARG A 85 15.088 22.709 30.473 1.00 31.31 H new ATOM 0 HH22 ARG A 85 14.211 23.082 31.618 1.00 31.31 H new ATOM 458 N VAL A 86 10.820 24.866 24.693 1.00 14.50 N ATOM 459 CA VAL A 86 10.391 26.243 24.934 1.00 15.44 C ATOM 460 C VAL A 86 10.042 26.946 23.628 1.00 13.75 C ATOM 461 O VAL A 86 10.834 26.966 22.688 1.00 15.81 O ATOM 462 CB VAL A 86 11.463 27.066 25.678 1.00 15.13 C ATOM 463 CG1 VAL A 86 10.934 28.469 25.988 1.00 10.95 C ATOM 464 CG2 VAL A 86 11.864 26.362 26.958 1.00 16.21 C ATOM 0 H VAL A 86 11.535 24.789 24.221 1.00 14.50 H new ATOM 0 HA VAL A 86 9.602 26.188 25.495 1.00 15.44 H new ATOM 0 HB VAL A 86 12.244 27.148 25.109 1.00 15.13 H new ATOM 0 HG11 VAL A 86 11.616 28.976 26.455 1.00 10.95 H new ATOM 0 HG12 VAL A 86 10.707 28.920 25.160 1.00 10.95 H new ATOM 0 HG13 VAL A 86 10.143 28.401 26.546 1.00 10.95 H new ATOM 0 HG21 VAL A 86 12.538 26.886 27.419 1.00 16.21 H new ATOM 0 HG22 VAL A 86 11.087 26.262 27.529 1.00 16.21 H new ATOM 0 HG23 VAL A 86 12.225 25.487 26.747 1.00 16.21 H new ATOM 465 N THR A 87 8.835 27.493 23.569 1.00 12.15 N ATOM 466 CA THR A 87 8.379 28.202 22.386 1.00 16.79 C ATOM 467 C THR A 87 8.239 29.692 22.674 1.00 15.20 C ATOM 468 O THR A 87 7.703 30.091 23.708 1.00 16.60 O ATOM 469 CB THR A 87 7.040 27.632 21.869 1.00 20.31 C ATOM 470 OG1 THR A 87 7.244 26.285 21.428 1.00 25.59 O ATOM 471 CG2 THR A 87 6.512 28.455 20.699 1.00 19.90 C ATOM 0 H THR A 87 8.262 27.463 24.209 1.00 12.15 H new ATOM 0 HA THR A 87 9.047 28.077 21.694 1.00 16.79 H new ATOM 0 HB THR A 87 6.393 27.663 22.591 1.00 20.31 H new ATOM 0 HG1 THR A 87 6.699 25.777 21.816 1.00 25.59 H new ATOM 0 HG21 THR A 87 5.672 28.079 20.392 1.00 19.90 H new ATOM 0 HG22 THR A 87 6.370 29.371 20.985 1.00 19.90 H new ATOM 0 HG23 THR A 87 7.157 28.439 19.975 1.00 19.90 H new ATOM 472 N PHE A 88 8.735 30.502 21.747 1.00 14.41 N ATOM 473 CA PHE A 88 8.694 31.952 21.860 1.00 14.07 C ATOM 474 C PHE A 88 7.442 32.582 21.258 1.00 14.90 C ATOM 475 O PHE A 88 6.871 32.077 20.291 1.00 14.68 O ATOM 476 CB PHE A 88 9.930 32.559 21.177 1.00 8.25 C ATOM 477 CG PHE A 88 9.916 34.068 21.106 1.00 12.77 C ATOM 478 CD1 PHE A 88 10.410 34.834 22.164 1.00 5.21 C ATOM 479 CD2 PHE A 88 9.414 34.722 19.979 1.00 9.96 C ATOM 480 CE1 PHE A 88 10.405 36.227 22.100 1.00 12.70 C ATOM 481 CE2 PHE A 88 9.402 36.119 19.903 1.00 10.60 C ATOM 482 CZ PHE A 88 9.899 36.873 20.966 1.00 14.30 C ATOM 0 H PHE A 88 9.109 30.221 21.026 1.00 14.41 H new ATOM 0 HA PHE A 88 8.682 32.148 22.810 1.00 14.07 H new ATOM 0 HB2 PHE A 88 10.724 32.275 21.655 1.00 8.25 H new ATOM 0 HB3 PHE A 88 9.998 32.203 20.277 1.00 8.25 H new ATOM 0 HD1 PHE A 88 10.746 34.410 22.920 1.00 5.21 H new ATOM 0 HD2 PHE A 88 9.083 34.222 19.268 1.00 9.96 H new ATOM 0 HE1 PHE A 88 10.738 36.727 22.810 1.00 12.70 H new ATOM 0 HE2 PHE A 88 9.064 36.543 19.147 1.00 10.60 H new ATOM 0 HZ PHE A 88 9.894 37.802 20.921 1.00 14.30 H new ATOM 483 N SER A 89 7.043 33.703 21.846 1.00 14.09 N ATOM 484 CA SER A 89 5.914 34.497 21.376 1.00 16.75 C ATOM 485 C SER A 89 6.188 35.898 21.925 1.00 16.02 C ATOM 486 O SER A 89 6.940 36.058 22.889 1.00 13.25 O ATOM 487 CB SER A 89 4.565 33.945 21.868 1.00 10.93 C ATOM 488 OG SER A 89 4.289 34.304 23.212 1.00 32.83 O ATOM 0 H SER A 89 7.428 34.030 22.542 1.00 14.09 H new ATOM 0 HA SER A 89 5.840 34.485 20.409 1.00 16.75 H new ATOM 0 HB2 SER A 89 3.855 34.276 21.296 1.00 10.93 H new ATOM 0 HB3 SER A 89 4.566 32.978 21.788 1.00 10.93 H new ATOM 0 HG SER A 89 4.959 34.138 23.690 1.00 32.83 H new ATOM 489 N SER A 90 5.618 36.913 21.292 1.00 15.93 N ATOM 490 CA SER A 90 5.836 38.283 21.726 1.00 17.91 C ATOM 491 C SER A 90 5.298 38.586 23.126 1.00 17.09 C ATOM 492 O SER A 90 5.692 39.576 23.740 1.00 20.37 O ATOM 493 CB SER A 90 5.242 39.252 20.702 1.00 23.35 C ATOM 494 OG SER A 90 3.868 38.980 20.489 1.00 36.12 O ATOM 0 H SER A 90 5.102 36.830 20.609 1.00 15.93 H new ATOM 0 HA SER A 90 6.797 38.403 21.783 1.00 17.91 H new ATOM 0 HB2 SER A 90 5.351 40.164 21.013 1.00 23.35 H new ATOM 0 HB3 SER A 90 5.724 39.179 19.864 1.00 23.35 H new ATOM 0 HG SER A 90 3.789 38.335 19.956 1.00 36.12 H new ATOM 495 N SER A 91 4.428 37.719 23.641 1.00 17.43 N ATOM 496 CA SER A 91 3.839 37.921 24.968 1.00 17.13 C ATOM 497 C SER A 91 4.426 37.055 26.088 1.00 14.27 C ATOM 498 O SER A 91 3.959 37.110 27.224 1.00 14.17 O ATOM 499 CB SER A 91 2.321 37.731 24.907 1.00 14.65 C ATOM 500 OG SER A 91 1.996 36.472 24.346 1.00 15.57 O ATOM 0 H SER A 91 4.164 37.006 23.239 1.00 17.43 H new ATOM 0 HA SER A 91 4.067 38.834 25.205 1.00 17.13 H new ATOM 0 HB2 SER A 91 1.946 37.799 25.799 1.00 14.65 H new ATOM 0 HB3 SER A 91 1.923 38.439 24.377 1.00 14.65 H new ATOM 0 HG SER A 91 1.203 36.485 24.069 1.00 15.57 H new ATOM 501 N GLY A 92 5.430 36.248 25.763 1.00 13.66 N ATOM 502 CA GLY A 92 6.051 35.402 26.768 1.00 12.84 C ATOM 503 C GLY A 92 6.577 34.097 26.205 1.00 15.66 C ATOM 504 O GLY A 92 6.436 33.825 25.009 1.00 17.93 O ATOM 0 H GLY A 92 5.762 36.177 24.973 1.00 13.66 H new ATOM 0 HA2 GLY A 92 6.781 35.886 27.184 1.00 12.84 H new ATOM 0 HA3 GLY A 92 5.405 35.210 27.465 1.00 12.84 H new ATOM 505 N ILE A 93 7.217 33.299 27.055 1.00 12.84 N ATOM 506 CA ILE A 93 7.743 32.008 26.622 1.00 12.33 C ATOM 507 C ILE A 93 6.913 30.874 27.219 1.00 10.85 C ATOM 508 O ILE A 93 6.516 30.923 28.380 1.00 12.33 O ATOM 509 CB ILE A 93 9.243 31.823 26.991 1.00 13.64 C ATOM 510 CG1 ILE A 93 9.460 31.970 28.496 1.00 16.18 C ATOM 511 CG2 ILE A 93 10.103 32.817 26.235 1.00 7.24 C ATOM 512 CD1 ILE A 93 10.877 31.641 28.934 1.00 15.03 C ATOM 0 H ILE A 93 7.357 33.485 27.883 1.00 12.84 H new ATOM 0 HA ILE A 93 7.680 31.984 25.654 1.00 12.33 H new ATOM 0 HB ILE A 93 9.506 30.925 26.734 1.00 13.64 H new ATOM 0 HG12 ILE A 93 9.250 32.880 28.759 1.00 16.18 H new ATOM 0 HG13 ILE A 93 8.840 31.389 28.964 1.00 16.18 H new ATOM 0 HG21 ILE A 93 11.034 32.689 26.476 1.00 7.24 H new ATOM 0 HG22 ILE A 93 9.994 32.679 25.281 1.00 7.24 H new ATOM 0 HG23 ILE A 93 9.832 33.720 26.464 1.00 7.24 H new ATOM 0 HD11 ILE A 93 10.953 31.752 29.895 1.00 15.03 H new ATOM 0 HD12 ILE A 93 11.084 30.723 28.698 1.00 15.03 H new ATOM 0 HD13 ILE A 93 11.500 32.237 28.490 1.00 15.03 H new ATOM 513 N THR A 94 6.634 29.858 26.415 1.00 13.10 N ATOM 514 CA THR A 94 5.844 28.732 26.886 1.00 12.43 C ATOM 515 C THR A 94 6.653 27.443 26.953 1.00 14.77 C ATOM 516 O THR A 94 7.319 27.057 25.987 1.00 12.74 O ATOM 517 CB THR A 94 4.592 28.521 26.003 1.00 18.23 C ATOM 518 OG1 THR A 94 3.813 29.724 25.992 1.00 17.68 O ATOM 519 CG2 THR A 94 3.728 27.382 26.542 1.00 15.94 C ATOM 0 H THR A 94 6.892 29.801 25.596 1.00 13.10 H new ATOM 0 HA THR A 94 5.563 28.953 27.788 1.00 12.43 H new ATOM 0 HB THR A 94 4.885 28.296 25.106 1.00 18.23 H new ATOM 0 HG1 THR A 94 4.096 30.235 25.389 1.00 17.68 H new ATOM 0 HG21 THR A 94 2.950 27.268 25.973 1.00 15.94 H new ATOM 0 HG22 THR A 94 4.244 26.561 26.551 1.00 15.94 H new ATOM 0 HG23 THR A 94 3.440 27.593 27.444 1.00 15.94 H new ATOM 520 N PHE A 95 6.648 26.831 28.135 1.00 14.71 N ATOM 521 CA PHE A 95 7.334 25.571 28.371 1.00 11.12 C ATOM 522 C PHE A 95 6.304 24.489 28.111 1.00 13.93 C ATOM 523 O PHE A 95 5.214 24.524 28.683 1.00 16.45 O ATOM 524 CB PHE A 95 7.786 25.461 29.828 1.00 12.65 C ATOM 525 CG PHE A 95 9.043 26.223 30.147 1.00 16.47 C ATOM 526 CD1 PHE A 95 8.999 27.580 30.442 1.00 19.89 C ATOM 527 CD2 PHE A 95 10.271 25.567 30.196 1.00 18.84 C ATOM 528 CE1 PHE A 95 10.159 28.275 30.785 1.00 24.95 C ATOM 529 CE2 PHE A 95 11.436 26.252 30.538 1.00 15.95 C ATOM 530 CZ PHE A 95 11.379 27.611 30.833 1.00 17.21 C ATOM 0 H PHE A 95 6.242 27.141 28.827 1.00 14.71 H new ATOM 0 HA PHE A 95 8.118 25.497 27.804 1.00 11.12 H new ATOM 0 HB2 PHE A 95 7.072 25.781 30.402 1.00 12.65 H new ATOM 0 HB3 PHE A 95 7.925 24.525 30.043 1.00 12.65 H new ATOM 0 HD1 PHE A 95 8.186 28.031 30.410 1.00 19.89 H new ATOM 0 HD2 PHE A 95 10.314 24.659 29.998 1.00 18.84 H new ATOM 0 HE1 PHE A 95 10.116 29.183 30.982 1.00 24.95 H new ATOM 0 HE2 PHE A 95 12.249 25.802 30.569 1.00 15.95 H new ATOM 0 HZ PHE A 95 12.154 28.073 31.061 1.00 17.21 H new ATOM 531 N SER A 96 6.618 23.552 27.223 1.00 15.37 N ATOM 532 CA SER A 96 5.688 22.466 26.940 1.00 16.95 C ATOM 533 C SER A 96 5.616 21.553 28.172 1.00 17.79 C ATOM 534 O SER A 96 4.622 20.864 28.386 1.00 21.10 O ATOM 535 CB SER A 96 6.110 21.695 25.686 1.00 9.35 C ATOM 536 OG SER A 96 7.360 21.065 25.855 1.00 14.62 O ATOM 0 H SER A 96 7.354 23.526 26.779 1.00 15.37 H new ATOM 0 HA SER A 96 4.805 22.826 26.759 1.00 16.95 H new ATOM 0 HB2 SER A 96 5.438 21.028 25.475 1.00 9.35 H new ATOM 0 HB3 SER A 96 6.154 22.303 24.932 1.00 9.35 H new ATOM 0 HG SER A 96 7.562 20.651 25.153 1.00 14.62 H new ATOM 537 N SER A 97 6.666 21.591 28.992 1.00 19.90 N ATOM 538 CA SER A 97 6.744 20.819 30.234 1.00 21.11 C ATOM 539 C SER A 97 7.910 21.303 31.091 1.00 19.84 C ATOM 540 O SER A 97 8.976 21.644 30.573 1.00 21.20 O ATOM 541 CB SER A 97 6.894 19.319 29.961 1.00 20.69 C ATOM 542 OG SER A 97 8.124 19.030 29.324 1.00 40.69 O ATOM 0 H SER A 97 7.363 22.072 28.841 1.00 19.90 H new ATOM 0 HA SER A 97 5.912 20.958 30.712 1.00 21.11 H new ATOM 0 HB2 SER A 97 6.838 18.829 30.796 1.00 20.69 H new ATOM 0 HB3 SER A 97 6.160 19.015 29.404 1.00 20.69 H new ATOM 0 HG SER A 97 8.182 18.203 29.187 1.00 40.69 H new ATOM 543 N VAL A 98 7.690 21.361 32.401 1.00 19.43 N ATOM 544 CA VAL A 98 8.725 21.795 33.339 1.00 19.43 C ATOM 545 C VAL A 98 9.038 20.706 34.351 1.00 19.50 C ATOM 546 O VAL A 98 8.189 19.872 34.657 1.00 20.66 O ATOM 547 CB VAL A 98 8.315 23.069 34.129 1.00 20.55 C ATOM 548 CG1 VAL A 98 8.481 24.302 33.273 1.00 17.29 C ATOM 549 CG2 VAL A 98 6.878 22.952 34.629 1.00 10.04 C ATOM 0 H VAL A 98 6.942 21.152 32.771 1.00 19.43 H new ATOM 0 HA VAL A 98 9.504 21.992 32.796 1.00 19.43 H new ATOM 0 HB VAL A 98 8.900 23.151 34.899 1.00 20.55 H new ATOM 0 HG11 VAL A 98 8.221 25.086 33.781 1.00 17.29 H new ATOM 0 HG12 VAL A 98 9.409 24.386 33.002 1.00 17.29 H new ATOM 0 HG13 VAL A 98 7.920 24.227 32.485 1.00 17.29 H new ATOM 0 HG21 VAL A 98 6.639 23.754 35.119 1.00 10.04 H new ATOM 0 HG22 VAL A 98 6.280 22.845 33.873 1.00 10.04 H new ATOM 0 HG23 VAL A 98 6.800 22.182 35.213 1.00 10.04 H new ATOM 550 N THR A 99 10.273 20.707 34.841 1.00 17.28 N ATOM 551 CA THR A 99 10.716 19.749 35.846 1.00 22.37 C ATOM 552 C THR A 99 11.253 20.555 37.018 1.00 25.00 C ATOM 553 O THR A 99 11.435 21.769 36.908 1.00 26.12 O ATOM 554 CB THR A 99 11.842 18.823 35.322 1.00 29.42 C ATOM 555 OG1 THR A 99 12.941 19.611 34.846 1.00 33.86 O ATOM 556 CG2 THR A 99 11.327 17.937 34.198 1.00 31.36 C ATOM 0 H THR A 99 10.880 21.266 34.599 1.00 17.28 H new ATOM 0 HA THR A 99 9.969 19.182 36.093 1.00 22.37 H new ATOM 0 HB THR A 99 12.140 18.259 36.053 1.00 29.42 H new ATOM 0 HG1 THR A 99 13.549 19.104 34.565 1.00 33.86 H new ATOM 0 HG21 THR A 99 12.044 17.365 33.882 1.00 31.36 H new ATOM 0 HG22 THR A 99 10.597 17.389 34.526 1.00 31.36 H new ATOM 0 HG23 THR A 99 11.011 18.491 33.467 1.00 31.36 H new ATOM 557 N ARG A 100 11.515 19.882 38.133 1.00 24.67 N ATOM 558 CA ARG A 100 12.038 20.544 39.324 1.00 23.75 C ATOM 559 C ARG A 100 13.373 21.256 39.051 1.00 24.13 C ATOM 560 O ARG A 100 13.770 22.151 39.801 1.00 23.83 O ATOM 561 CB ARG A 100 12.180 19.530 40.464 1.00 25.39 C ATOM 562 CG ARG A 100 13.082 18.340 40.148 1.00 29.39 C ATOM 563 CD ARG A 100 12.856 17.191 41.124 1.00 26.87 C ATOM 564 NE ARG A 100 11.570 16.532 40.903 1.00 18.55 N ATOM 565 CZ ARG A 100 11.160 15.442 41.548 1.00 21.90 C ATOM 566 NH1 ARG A 100 11.930 14.879 42.468 1.00 18.97 N ATOM 567 NH2 ARG A 100 9.972 14.912 41.273 1.00 12.01 N ATOM 0 H ARG A 100 11.396 19.035 38.221 1.00 24.67 H new ATOM 0 HA ARG A 100 11.404 21.230 39.586 1.00 23.75 H new ATOM 0 HB2 ARG A 100 12.529 19.987 41.245 1.00 25.39 H new ATOM 0 HB3 ARG A 100 11.299 19.199 40.699 1.00 25.39 H new ATOM 0 HG2 ARG A 100 12.912 18.035 39.243 1.00 29.39 H new ATOM 0 HG3 ARG A 100 14.011 18.618 40.184 1.00 29.39 H new ATOM 0 HD2 ARG A 100 13.571 16.543 41.031 1.00 26.87 H new ATOM 0 HD3 ARG A 100 12.895 17.527 42.033 1.00 26.87 H new ATOM 0 HE ARG A 100 11.042 16.872 40.316 1.00 18.55 H new ATOM 0 HH11 ARG A 100 12.699 15.218 42.651 1.00 18.97 H new ATOM 0 HH12 ARG A 100 11.661 14.175 42.882 1.00 18.97 H new ATOM 0 HH21 ARG A 100 9.467 15.273 40.678 1.00 12.01 H new ATOM 0 HH22 ARG A 100 9.708 14.208 41.690 1.00 12.01 H new ATOM 568 N LYS A 101 14.039 20.875 37.960 1.00 20.67 N ATOM 569 CA LYS A 101 15.316 21.474 37.576 1.00 22.84 C ATOM 570 C LYS A 101 15.136 22.875 36.992 1.00 19.59 C ATOM 571 O LYS A 101 16.104 23.604 36.800 1.00 17.71 O ATOM 572 CB LYS A 101 16.047 20.590 36.559 1.00 29.64 C ATOM 573 CG LYS A 101 16.366 19.185 37.054 1.00 49.60 C ATOM 574 CD LYS A 101 17.171 18.395 36.022 1.00 60.86 C ATOM 575 CE LYS A 101 18.566 18.986 35.836 1.00 71.69 C ATOM 576 NZ LYS A 101 19.387 18.230 34.848 1.00 70.35 N ATOM 0 H LYS A 101 13.763 20.263 37.423 1.00 20.67 H new ATOM 0 HA LYS A 101 15.847 21.546 38.384 1.00 22.84 H new ATOM 0 HB2 LYS A 101 15.504 20.523 35.758 1.00 29.64 H new ATOM 0 HB3 LYS A 101 16.875 21.027 36.305 1.00 29.64 H new ATOM 0 HG2 LYS A 101 16.866 19.239 37.883 1.00 49.60 H new ATOM 0 HG3 LYS A 101 15.541 18.715 37.251 1.00 49.60 H new ATOM 0 HD2 LYS A 101 17.244 17.470 36.305 1.00 60.86 H new ATOM 0 HD3 LYS A 101 16.701 18.395 35.173 1.00 60.86 H new ATOM 0 HE2 LYS A 101 18.486 19.908 35.546 1.00 71.69 H new ATOM 0 HE3 LYS A 101 19.025 18.997 36.691 1.00 71.69 H new ATOM 0 HZ1 LYS A 101 20.188 18.611 34.774 1.00 70.35 H new ATOM 0 HZ2 LYS A 101 19.483 17.389 35.123 1.00 70.35 H new ATOM 0 HZ3 LYS A 101 18.981 18.238 34.056 1.00 70.35 H new ATOM 577 N ASP A 102 13.890 23.246 36.722 1.00 17.72 N ATOM 578 CA ASP A 102 13.587 24.554 36.165 1.00 15.51 C ATOM 579 C ASP A 102 13.349 25.656 37.196 1.00 15.78 C ATOM 580 O ASP A 102 13.181 26.820 36.828 1.00 16.46 O ATOM 581 CB ASP A 102 12.404 24.451 35.206 1.00 19.64 C ATOM 582 CG ASP A 102 12.744 23.667 33.956 1.00 20.98 C ATOM 583 OD1 ASP A 102 13.799 23.956 33.347 1.00 14.17 O ATOM 584 OD2 ASP A 102 11.967 22.760 33.589 1.00 13.42 O ATOM 0 H ASP A 102 13.201 22.749 36.856 1.00 17.72 H new ATOM 0 HA ASP A 102 14.387 24.826 35.689 1.00 15.51 H new ATOM 0 HB2 ASP A 102 11.659 24.026 35.659 1.00 19.64 H new ATOM 0 HB3 ASP A 102 12.113 25.342 34.957 1.00 19.64 H new ATOM 585 N ASN A 103 13.334 25.294 38.479 1.00 12.11 N ATOM 586 CA ASN A 103 13.139 26.265 39.554 1.00 11.57 C ATOM 587 C ASN A 103 14.179 27.369 39.450 1.00 11.30 C ATOM 588 O ASN A 103 15.352 27.097 39.184 1.00 11.73 O ATOM 589 CB ASN A 103 13.286 25.601 40.925 1.00 15.05 C ATOM 590 CG ASN A 103 12.107 24.732 41.283 1.00 18.92 C ATOM 591 OD1 ASN A 103 11.010 24.908 40.758 1.00 22.32 O ATOM 592 ND2 ASN A 103 12.322 23.794 42.197 1.00 16.26 N ATOM 0 H ASN A 103 13.436 24.484 38.749 1.00 12.11 H new ATOM 0 HA ASN A 103 12.245 26.629 39.464 1.00 11.57 H new ATOM 0 HB2 ASN A 103 14.093 25.063 40.934 1.00 15.05 H new ATOM 0 HB3 ASN A 103 13.394 26.287 41.602 1.00 15.05 H new ATOM 0 HD21 ASN A 103 11.679 23.279 42.444 1.00 16.26 H new ATOM 0 HD22 ASN A 103 13.104 23.701 42.542 1.00 16.26 H new ATOM 593 N GLY A 104 13.743 28.610 39.644 1.00 8.97 N ATOM 594 CA GLY A 104 14.664 29.732 39.581 1.00 9.52 C ATOM 595 C GLY A 104 13.986 31.000 39.115 1.00 9.07 C ATOM 596 O GLY A 104 12.759 31.072 39.095 1.00 13.52 O ATOM 0 H GLY A 104 12.926 28.820 39.812 1.00 8.97 H new ATOM 0 HA2 GLY A 104 15.054 29.878 40.457 1.00 9.52 H new ATOM 0 HA3 GLY A 104 15.393 29.517 38.979 1.00 9.52 H new ATOM 597 N GLU A 105 14.770 32.020 38.788 1.00 8.49 N ATOM 598 CA GLU A 105 14.173 33.252 38.312 1.00 12.64 C ATOM 599 C GLU A 105 14.517 33.516 36.851 1.00 11.97 C ATOM 600 O GLU A 105 15.647 33.303 36.403 1.00 12.63 O ATOM 601 CB GLU A 105 14.506 34.449 39.215 1.00 15.41 C ATOM 602 CG GLU A 105 15.856 35.110 39.012 1.00 33.61 C ATOM 603 CD GLU A 105 15.904 36.528 39.588 1.00 47.41 C ATOM 604 OE1 GLU A 105 15.114 36.844 40.509 1.00 46.65 O ATOM 605 OE2 GLU A 105 16.732 37.334 39.108 1.00 53.70 O ATOM 0 H GLU A 105 15.629 32.018 38.834 1.00 8.49 H new ATOM 0 HA GLU A 105 13.211 33.137 38.360 1.00 12.64 H new ATOM 0 HB2 GLU A 105 13.819 35.122 39.089 1.00 15.41 H new ATOM 0 HB3 GLU A 105 14.450 34.155 40.138 1.00 15.41 H new ATOM 0 HG2 GLU A 105 16.544 34.570 39.431 1.00 33.61 H new ATOM 0 HG3 GLU A 105 16.059 35.142 38.064 1.00 33.61 H new ATOM 606 N TYR A 106 13.492 33.899 36.101 1.00 9.69 N ATOM 607 CA TYR A 106 13.609 34.186 34.685 1.00 7.32 C ATOM 608 C TYR A 106 13.398 35.673 34.510 1.00 11.80 C ATOM 609 O TYR A 106 12.435 36.237 35.032 1.00 18.82 O ATOM 610 CB TYR A 106 12.553 33.391 33.915 1.00 2.36 C ATOM 611 CG TYR A 106 12.749 31.898 34.039 1.00 3.52 C ATOM 612 CD1 TYR A 106 12.393 31.218 35.206 1.00 8.65 C ATOM 613 CD2 TYR A 106 13.336 31.170 33.010 1.00 4.22 C ATOM 614 CE1 TYR A 106 12.625 29.856 35.340 1.00 10.34 C ATOM 615 CE2 TYR A 106 13.572 29.807 33.133 1.00 8.52 C ATOM 616 CZ TYR A 106 13.216 29.157 34.298 1.00 10.91 C ATOM 617 OH TYR A 106 13.467 27.813 34.417 1.00 17.89 O ATOM 0 H TYR A 106 12.696 34.000 36.409 1.00 9.69 H new ATOM 0 HA TYR A 106 14.480 33.932 34.343 1.00 7.32 H new ATOM 0 HB2 TYR A 106 11.671 33.627 34.244 1.00 2.36 H new ATOM 0 HB3 TYR A 106 12.583 33.642 32.978 1.00 2.36 H new ATOM 0 HD1 TYR A 106 11.994 31.685 35.904 1.00 8.65 H new ATOM 0 HD2 TYR A 106 13.575 31.605 32.223 1.00 4.22 H new ATOM 0 HE1 TYR A 106 12.386 29.415 36.123 1.00 10.34 H new ATOM 0 HE2 TYR A 106 13.967 29.335 32.436 1.00 8.52 H new ATOM 0 HH TYR A 106 13.212 27.546 35.171 1.00 17.89 H new ATOM 618 N THR A 107 14.311 36.309 33.787 1.00 8.97 N ATOM 619 CA THR A 107 14.245 37.744 33.564 1.00 7.52 C ATOM 620 C THR A 107 13.994 38.072 32.102 1.00 8.00 C ATOM 621 O THR A 107 14.786 37.717 31.227 1.00 13.85 O ATOM 622 CB THR A 107 15.551 38.424 34.037 1.00 4.66 C ATOM 623 OG1 THR A 107 15.735 38.168 35.433 1.00 15.60 O ATOM 624 CG2 THR A 107 15.506 39.926 33.806 1.00 5.48 C ATOM 0 H THR A 107 14.983 35.922 33.414 1.00 8.97 H new ATOM 0 HA THR A 107 13.499 38.085 34.082 1.00 7.52 H new ATOM 0 HB THR A 107 16.289 38.058 33.525 1.00 4.66 H new ATOM 0 HG1 THR A 107 15.204 38.643 35.878 1.00 15.60 H new ATOM 0 HG21 THR A 107 16.336 40.326 34.111 1.00 5.48 H new ATOM 0 HG22 THR A 107 15.390 40.105 32.860 1.00 5.48 H new ATOM 0 HG23 THR A 107 14.763 40.307 34.300 1.00 5.48 H new ATOM 625 N CYS A 108 12.872 38.728 31.841 1.00 7.67 N ATOM 626 CA CYS A 108 12.524 39.121 30.485 1.00 9.97 C ATOM 627 C CYS A 108 13.134 40.488 30.224 1.00 11.28 C ATOM 628 O CYS A 108 12.858 41.448 30.942 1.00 13.40 O ATOM 629 CB CYS A 108 11.009 39.179 30.324 1.00 9.22 C ATOM 630 SG CYS A 108 10.429 39.739 28.689 1.00 19.92 S ATOM 0 H CYS A 108 12.296 38.956 32.438 1.00 7.67 H new ATOM 0 HA CYS A 108 12.866 38.473 29.849 1.00 9.97 H new ATOM 0 HB2 CYS A 108 10.645 38.297 30.497 1.00 9.22 H new ATOM 0 HB3 CYS A 108 10.648 39.772 31.001 1.00 9.22 H new ATOM 631 N MET A 109 13.977 40.562 29.201 1.00 11.36 N ATOM 632 CA MET A 109 14.653 41.803 28.845 1.00 12.91 C ATOM 633 C MET A 109 14.206 42.306 27.480 1.00 13.28 C ATOM 634 O MET A 109 14.481 41.682 26.449 1.00 12.53 O ATOM 635 CB MET A 109 16.170 41.587 28.870 1.00 10.75 C ATOM 636 CG MET A 109 16.674 41.104 30.230 1.00 10.97 C ATOM 637 SD MET A 109 18.351 40.473 30.200 1.00 13.98 S ATOM 638 CE MET A 109 18.093 38.858 29.449 1.00 8.51 C ATOM 0 H MET A 109 14.173 39.895 28.694 1.00 11.36 H new ATOM 0 HA MET A 109 14.415 42.481 29.497 1.00 12.91 H new ATOM 0 HB2 MET A 109 16.412 40.938 28.191 1.00 10.75 H new ATOM 0 HB3 MET A 109 16.615 42.418 28.641 1.00 10.75 H new ATOM 0 HG2 MET A 109 16.625 41.838 30.862 1.00 10.97 H new ATOM 0 HG3 MET A 109 16.082 40.408 30.556 1.00 10.97 H new ATOM 0 HE1 MET A 109 18.921 38.354 29.472 1.00 8.51 H new ATOM 0 HE2 MET A 109 17.409 38.378 29.941 1.00 8.51 H new ATOM 0 HE3 MET A 109 17.809 38.971 28.528 1.00 8.51 H new ATOM 639 N VAL A 110 13.479 43.419 27.482 1.00 13.55 N ATOM 640 CA VAL A 110 12.996 44.003 26.239 1.00 11.27 C ATOM 641 C VAL A 110 13.751 45.286 25.933 1.00 11.34 C ATOM 642 O VAL A 110 13.929 46.153 26.794 1.00 13.63 O ATOM 643 CB VAL A 110 11.482 44.273 26.274 1.00 11.09 C ATOM 644 CG1 VAL A 110 11.000 44.733 24.898 1.00 3.36 C ATOM 645 CG2 VAL A 110 10.738 43.009 26.703 1.00 7.63 C ATOM 0 H VAL A 110 13.255 43.850 28.192 1.00 13.55 H new ATOM 0 HA VAL A 110 13.159 43.357 25.534 1.00 11.27 H new ATOM 0 HB VAL A 110 11.300 44.976 26.917 1.00 11.09 H new ATOM 0 HG11 VAL A 110 10.045 44.901 24.929 1.00 3.36 H new ATOM 0 HG12 VAL A 110 11.463 45.548 24.648 1.00 3.36 H new ATOM 0 HG13 VAL A 110 11.185 44.042 24.242 1.00 3.36 H new ATOM 0 HG21 VAL A 110 9.784 43.186 26.723 1.00 7.63 H new ATOM 0 HG22 VAL A 110 10.921 42.296 26.072 1.00 7.63 H new ATOM 0 HG23 VAL A 110 11.036 42.742 27.587 1.00 7.63 H new ATOM 646 N SER A 111 14.183 45.398 24.687 1.00 8.38 N ATOM 647 CA SER A 111 14.945 46.544 24.241 1.00 10.05 C ATOM 648 C SER A 111 14.472 46.985 22.866 1.00 12.14 C ATOM 649 O SER A 111 14.080 46.153 22.045 1.00 14.55 O ATOM 650 CB SER A 111 16.423 46.147 24.181 1.00 7.00 C ATOM 651 OG SER A 111 17.229 47.195 23.689 1.00 20.56 O ATOM 0 H SER A 111 14.041 44.809 24.077 1.00 8.38 H new ATOM 0 HA SER A 111 14.822 47.282 24.858 1.00 10.05 H new ATOM 0 HB2 SER A 111 16.726 45.895 25.067 1.00 7.00 H new ATOM 0 HB3 SER A 111 16.525 45.367 23.614 1.00 7.00 H new ATOM 0 HG SER A 111 18.031 46.947 23.670 1.00 20.56 H new ATOM 652 N GLU A 112 14.446 48.295 22.638 1.00 11.88 N ATOM 653 CA GLU A 112 14.062 48.828 21.333 1.00 9.57 C ATOM 654 C GLU A 112 15.302 48.672 20.471 1.00 8.54 C ATOM 655 O GLU A 112 16.407 48.932 20.943 1.00 14.20 O ATOM 656 CB GLU A 112 13.712 50.310 21.434 1.00 6.56 C ATOM 657 CG GLU A 112 13.377 50.963 20.090 1.00 9.29 C ATOM 658 CD GLU A 112 12.105 50.418 19.477 1.00 10.96 C ATOM 659 OE1 GLU A 112 11.053 50.512 20.134 1.00 4.84 O ATOM 660 OE2 GLU A 112 12.150 49.894 18.345 1.00 11.46 O ATOM 0 H GLU A 112 14.647 48.892 23.224 1.00 11.88 H new ATOM 0 HA GLU A 112 13.286 48.368 20.976 1.00 9.57 H new ATOM 0 HB2 GLU A 112 12.955 50.414 22.032 1.00 6.56 H new ATOM 0 HB3 GLU A 112 14.458 50.782 21.836 1.00 6.56 H new ATOM 0 HG2 GLU A 112 13.288 51.921 20.213 1.00 9.29 H new ATOM 0 HG3 GLU A 112 14.114 50.824 19.474 1.00 9.29 H new ATOM 661 N GLU A 113 15.142 48.238 19.227 1.00 9.37 N ATOM 662 CA GLU A 113 16.304 48.064 18.357 1.00 12.64 C ATOM 663 C GLU A 113 17.116 49.362 18.339 1.00 11.91 C ATOM 664 O GLU A 113 16.610 50.415 17.952 1.00 15.62 O ATOM 665 CB GLU A 113 15.866 47.666 16.950 1.00 17.67 C ATOM 666 CG GLU A 113 16.962 46.997 16.133 1.00 39.17 C ATOM 667 CD GLU A 113 16.430 46.357 14.865 1.00 57.59 C ATOM 668 OE1 GLU A 113 15.479 45.548 14.965 1.00 60.71 O ATOM 669 OE2 GLU A 113 16.962 46.662 13.772 1.00 57.34 O ATOM 0 H GLU A 113 14.385 48.041 18.870 1.00 9.37 H new ATOM 0 HA GLU A 113 16.863 47.349 18.700 1.00 12.64 H new ATOM 0 HB2 GLU A 113 15.108 47.064 17.014 1.00 17.67 H new ATOM 0 HB3 GLU A 113 15.560 48.457 16.479 1.00 17.67 H new ATOM 0 HG2 GLU A 113 17.637 47.655 15.902 1.00 39.17 H new ATOM 0 HG3 GLU A 113 17.399 46.321 16.675 1.00 39.17 H new ATOM 670 N GLY A 114 18.349 49.284 18.835 1.00 7.55 N ATOM 671 CA GLY A 114 19.207 50.452 18.917 1.00 6.77 C ATOM 672 C GLY A 114 19.615 50.692 20.366 1.00 14.52 C ATOM 673 O GLY A 114 20.580 51.403 20.639 1.00 19.34 O ATOM 0 H GLY A 114 18.705 48.559 19.129 1.00 7.55 H new ATOM 0 HA2 GLY A 114 19.996 50.324 18.367 1.00 6.77 H new ATOM 0 HA3 GLY A 114 18.743 51.230 18.570 1.00 6.77 H new ATOM 674 N GLY A 115 18.846 50.139 21.301 1.00 14.74 N ATOM 675 CA GLY A 115 19.161 50.274 22.713 1.00 20.14 C ATOM 676 C GLY A 115 18.731 51.527 23.452 1.00 25.67 C ATOM 677 O GLY A 115 19.051 51.675 24.634 1.00 29.40 O ATOM 0 H GLY A 115 18.137 49.682 21.135 1.00 14.74 H new ATOM 0 HA2 GLY A 115 18.769 49.515 23.173 1.00 20.14 H new ATOM 0 HA3 GLY A 115 20.123 50.196 22.806 1.00 20.14 H new ATOM 678 N GLN A 116 18.008 52.421 22.783 1.00 28.72 N ATOM 679 CA GLN A 116 17.549 53.662 23.413 1.00 30.03 C ATOM 680 C GLN A 116 16.551 53.414 24.539 1.00 26.48 C ATOM 681 O GLN A 116 16.720 53.912 25.654 1.00 29.37 O ATOM 682 CB GLN A 116 16.930 54.611 22.374 1.00 43.38 C ATOM 683 CG GLN A 116 15.840 54.006 21.469 1.00 29.02 C ATOM 684 CD GLN A 116 16.397 53.395 20.196 1.00 38.89 C ATOM 685 OE1 GLN A 116 17.202 52.468 20.240 1.00 35.14 O ATOM 686 NE2 GLN A 116 15.963 53.911 19.050 1.00 45.89 N ATOM 0 H GLN A 116 17.771 52.330 21.961 1.00 28.72 H new ATOM 0 HA GLN A 116 18.335 54.076 23.801 1.00 30.03 H new ATOM 0 HB2 GLN A 116 16.551 55.371 22.842 1.00 43.38 H new ATOM 0 HB3 GLN A 116 17.641 54.952 21.809 1.00 43.38 H new ATOM 0 HG2 GLN A 116 15.357 53.326 21.964 1.00 29.02 H new ATOM 0 HG3 GLN A 116 15.199 54.697 21.237 1.00 29.02 H new ATOM 0 HE21 GLN A 116 15.399 54.560 19.057 1.00 45.89 H new ATOM 0 HE22 GLN A 116 16.246 53.596 18.302 1.00 45.89 H new ATOM 687 N ASN A 117 15.521 52.632 24.238 1.00 19.91 N ATOM 688 CA ASN A 117 14.481 52.304 25.201 1.00 19.46 C ATOM 689 C ASN A 117 14.757 50.907 25.754 1.00 17.35 C ATOM 690 O ASN A 117 15.042 49.982 24.993 1.00 17.05 O ATOM 691 CB ASN A 117 13.115 52.355 24.511 1.00 21.41 C ATOM 692 CG ASN A 117 11.969 52.454 25.489 1.00 29.35 C ATOM 693 OD1 ASN A 117 12.142 52.895 26.629 1.00 31.16 O ATOM 694 ND2 ASN A 117 10.779 52.059 25.044 1.00 26.34 N ATOM 0 H ASN A 117 15.406 52.275 23.464 1.00 19.91 H new ATOM 0 HA ASN A 117 14.478 52.942 25.931 1.00 19.46 H new ATOM 0 HB2 ASN A 117 13.089 53.116 23.910 1.00 21.41 H new ATOM 0 HB3 ASN A 117 13.002 51.560 23.967 1.00 21.41 H new ATOM 0 HD21 ASN A 117 10.091 52.106 25.558 1.00 26.34 H new ATOM 0 HD22 ASN A 117 10.698 51.757 24.243 1.00 26.34 H new ATOM 695 N TYR A 118 14.673 50.758 27.075 1.00 17.72 N ATOM 696 CA TYR A 118 14.942 49.471 27.716 1.00 13.29 C ATOM 697 C TYR A 118 14.087 49.204 28.947 1.00 15.13 C ATOM 698 O TYR A 118 13.634 50.128 29.625 1.00 18.92 O ATOM 699 CB TYR A 118 16.418 49.387 28.102 1.00 11.43 C ATOM 700 CG TYR A 118 16.821 48.068 28.714 1.00 21.27 C ATOM 701 CD1 TYR A 118 17.096 46.963 27.910 1.00 24.25 C ATOM 702 CD2 TYR A 118 16.927 47.922 30.098 1.00 23.13 C ATOM 703 CE1 TYR A 118 17.466 45.742 28.469 1.00 15.01 C ATOM 704 CE2 TYR A 118 17.295 46.706 30.667 1.00 26.03 C ATOM 705 CZ TYR A 118 17.563 45.621 29.845 1.00 21.78 C ATOM 706 OH TYR A 118 17.928 44.416 30.398 1.00 24.90 O ATOM 0 H TYR A 118 14.462 51.390 27.619 1.00 17.72 H new ATOM 0 HA TYR A 118 14.711 48.791 27.064 1.00 13.29 H new ATOM 0 HB2 TYR A 118 16.958 49.544 27.312 1.00 11.43 H new ATOM 0 HB3 TYR A 118 16.619 50.099 28.730 1.00 11.43 H new ATOM 0 HD1 TYR A 118 17.031 47.042 26.986 1.00 24.25 H new ATOM 0 HD2 TYR A 118 16.749 48.649 30.649 1.00 23.13 H new ATOM 0 HE1 TYR A 118 17.647 45.012 27.921 1.00 15.01 H new ATOM 0 HE2 TYR A 118 17.361 46.622 31.591 1.00 26.03 H new ATOM 0 HH TYR A 118 17.723 44.408 31.212 1.00 24.90 H new ATOM 707 N GLY A 119 13.884 47.924 29.232 1.00 16.29 N ATOM 708 CA GLY A 119 13.102 47.525 30.387 1.00 15.55 C ATOM 709 C GLY A 119 13.265 46.043 30.666 1.00 15.59 C ATOM 710 O GLY A 119 13.670 45.281 29.778 1.00 15.10 O ATOM 0 H GLY A 119 14.193 47.271 28.766 1.00 16.29 H new ATOM 0 HA2 GLY A 119 13.380 48.036 31.163 1.00 15.55 H new ATOM 0 HA3 GLY A 119 12.166 47.728 30.234 1.00 15.55 H new ATOM 711 N GLU A 120 12.980 45.637 31.902 1.00 12.80 N ATOM 712 CA GLU A 120 13.083 44.235 32.292 1.00 11.36 C ATOM 713 C GLU A 120 12.209 43.875 33.483 1.00 11.85 C ATOM 714 O GLU A 120 11.874 44.724 34.310 1.00 16.90 O ATOM 715 CB GLU A 120 14.536 43.848 32.581 1.00 5.25 C ATOM 716 CG GLU A 120 15.168 44.553 33.767 1.00 14.05 C ATOM 717 CD GLU A 120 16.616 44.140 33.988 1.00 29.38 C ATOM 718 OE1 GLU A 120 17.373 44.032 32.999 1.00 31.70 O ATOM 719 OE2 GLU A 120 17.000 43.920 35.155 1.00 33.96 O ATOM 0 H GLU A 120 12.724 46.163 32.532 1.00 12.80 H new ATOM 0 HA GLU A 120 12.756 43.727 31.533 1.00 11.36 H new ATOM 0 HB2 GLU A 120 14.577 42.891 32.733 1.00 5.25 H new ATOM 0 HB3 GLU A 120 15.068 44.033 31.792 1.00 5.25 H new ATOM 0 HG2 GLU A 120 15.126 45.512 33.629 1.00 14.05 H new ATOM 0 HG3 GLU A 120 14.654 44.359 34.566 1.00 14.05 H new ATOM 720 N VAL A 121 11.821 42.608 33.553 1.00 11.61 N ATOM 721 CA VAL A 121 11.001 42.130 34.655 1.00 11.36 C ATOM 722 C VAL A 121 11.367 40.685 34.997 1.00 12.54 C ATOM 723 O VAL A 121 11.604 39.861 34.110 1.00 17.37 O ATOM 724 CB VAL A 121 9.486 42.288 34.348 1.00 7.40 C ATOM 725 CG1 VAL A 121 9.049 41.374 33.207 1.00 3.13 C ATOM 726 CG2 VAL A 121 8.672 42.035 35.596 1.00 18.66 C ATOM 0 H VAL A 121 12.023 42.008 32.971 1.00 11.61 H new ATOM 0 HA VAL A 121 11.184 42.678 35.434 1.00 11.36 H new ATOM 0 HB VAL A 121 9.328 43.200 34.058 1.00 7.40 H new ATOM 0 HG11 VAL A 121 8.101 41.495 33.040 1.00 3.13 H new ATOM 0 HG12 VAL A 121 9.549 41.595 32.406 1.00 3.13 H new ATOM 0 HG13 VAL A 121 9.218 40.450 33.449 1.00 3.13 H new ATOM 0 HG21 VAL A 121 7.729 42.136 35.393 1.00 18.66 H new ATOM 0 HG22 VAL A 121 8.839 41.134 35.914 1.00 18.66 H new ATOM 0 HG23 VAL A 121 8.925 42.672 36.282 1.00 18.66 H new ATOM 727 N SER A 122 11.497 40.411 36.290 1.00 12.00 N ATOM 728 CA SER A 122 11.851 39.079 36.772 1.00 11.14 C ATOM 729 C SER A 122 10.629 38.267 37.194 1.00 11.37 C ATOM 730 O SER A 122 9.624 38.816 37.644 1.00 14.26 O ATOM 731 CB SER A 122 12.850 39.184 37.924 1.00 15.07 C ATOM 732 OG SER A 122 14.110 39.640 37.458 1.00 22.51 O ATOM 0 H SER A 122 11.383 40.992 36.914 1.00 12.00 H new ATOM 0 HA SER A 122 12.262 38.605 36.033 1.00 11.14 H new ATOM 0 HB2 SER A 122 12.510 39.793 38.598 1.00 15.07 H new ATOM 0 HB3 SER A 122 12.952 38.318 38.349 1.00 15.07 H new ATOM 0 HG SER A 122 14.645 39.693 38.103 1.00 22.51 H new ATOM 733 N ILE A 123 10.720 36.953 37.025 1.00 11.48 N ATOM 734 CA ILE A 123 9.632 36.046 37.361 1.00 11.58 C ATOM 735 C ILE A 123 10.214 34.821 38.047 1.00 14.72 C ATOM 736 O ILE A 123 11.076 34.139 37.486 1.00 14.53 O ATOM 737 CB ILE A 123 8.893 35.582 36.091 1.00 7.91 C ATOM 738 CG1 ILE A 123 8.343 36.791 35.329 1.00 11.89 C ATOM 739 CG2 ILE A 123 7.771 34.614 36.452 1.00 14.52 C ATOM 740 CD1 ILE A 123 7.767 36.453 33.982 1.00 22.31 C ATOM 0 H ILE A 123 11.418 36.561 36.711 1.00 11.48 H new ATOM 0 HA ILE A 123 9.008 36.510 37.940 1.00 11.58 H new ATOM 0 HB ILE A 123 9.521 35.117 35.516 1.00 7.91 H new ATOM 0 HG12 ILE A 123 7.657 37.216 35.867 1.00 11.89 H new ATOM 0 HG13 ILE A 123 9.055 37.440 35.213 1.00 11.89 H new ATOM 0 HG21 ILE A 123 7.315 34.331 35.644 1.00 14.52 H new ATOM 0 HG22 ILE A 123 8.144 33.839 36.901 1.00 14.52 H new ATOM 0 HG23 ILE A 123 7.139 35.056 37.041 1.00 14.52 H new ATOM 0 HD11 ILE A 123 7.439 37.261 33.558 1.00 22.31 H new ATOM 0 HD12 ILE A 123 8.455 36.053 33.427 1.00 22.31 H new ATOM 0 HD13 ILE A 123 7.035 35.826 34.091 1.00 22.31 H new ATOM 741 N HIS A 124 9.766 34.552 39.270 1.00 13.40 N ATOM 742 CA HIS A 124 10.275 33.396 39.991 1.00 15.52 C ATOM 743 C HIS A 124 9.381 32.192 39.754 1.00 12.83 C ATOM 744 O HIS A 124 8.170 32.241 39.991 1.00 15.92 O ATOM 745 CB HIS A 124 10.418 33.683 41.491 1.00 18.65 C ATOM 746 CG HIS A 124 11.358 32.747 42.188 1.00 45.08 C ATOM 747 ND1 HIS A 124 12.724 32.946 42.212 1.00 52.54 N ATOM 748 CD2 HIS A 124 11.138 31.582 42.844 1.00 48.33 C ATOM 749 CE1 HIS A 124 13.303 31.942 42.848 1.00 53.98 C ATOM 750 NE2 HIS A 124 12.363 31.101 43.241 1.00 54.43 N ATOM 0 H HIS A 124 9.179 35.018 39.692 1.00 13.40 H new ATOM 0 HA HIS A 124 11.161 33.198 39.649 1.00 15.52 H new ATOM 0 HB2 HIS A 124 10.730 34.593 41.611 1.00 18.65 H new ATOM 0 HB3 HIS A 124 9.545 33.625 41.909 1.00 18.65 H new ATOM 0 HD2 HIS A 124 10.312 31.182 42.997 1.00 48.33 H new ATOM 0 HE1 HIS A 124 14.216 31.844 42.994 1.00 53.98 H new ATOM 0 HE2 HIS A 124 12.496 30.371 43.675 1.00 54.43 H new ATOM 751 N LEU A 125 9.982 31.124 39.244 1.00 9.07 N ATOM 752 CA LEU A 125 9.259 29.893 38.963 1.00 9.61 C ATOM 753 C LEU A 125 9.524 28.826 40.018 1.00 10.85 C ATOM 754 O LEU A 125 10.678 28.522 40.342 1.00 10.65 O ATOM 755 CB LEU A 125 9.645 29.348 37.584 1.00 7.65 C ATOM 756 CG LEU A 125 9.054 27.993 37.180 1.00 6.40 C ATOM 757 CD1 LEU A 125 7.536 28.067 37.176 1.00 11.73 C ATOM 758 CD2 LEU A 125 9.565 27.592 35.810 1.00 8.75 C ATOM 0 H LEU A 125 10.820 31.093 39.052 1.00 9.07 H new ATOM 0 HA LEU A 125 8.313 30.108 38.978 1.00 9.61 H new ATOM 0 HB2 LEU A 125 9.383 30.002 36.917 1.00 7.65 H new ATOM 0 HB3 LEU A 125 10.612 29.278 37.548 1.00 7.65 H new ATOM 0 HG LEU A 125 9.331 27.323 37.824 1.00 6.40 H new ATOM 0 HD11 LEU A 125 7.171 27.206 36.919 1.00 11.73 H new ATOM 0 HD12 LEU A 125 7.221 28.300 38.063 1.00 11.73 H new ATOM 0 HD13 LEU A 125 7.246 28.742 36.543 1.00 11.73 H new ATOM 0 HD21 LEU A 125 9.187 26.734 35.562 1.00 8.75 H new ATOM 0 HD22 LEU A 125 9.303 28.261 35.158 1.00 8.75 H new ATOM 0 HD23 LEU A 125 10.532 27.524 35.832 1.00 8.75 H new ATOM 759 N THR A 126 8.441 28.269 40.549 1.00 10.44 N ATOM 760 CA THR A 126 8.519 27.206 41.540 1.00 10.84 C ATOM 761 C THR A 126 7.701 26.039 41.006 1.00 9.53 C ATOM 762 O THR A 126 6.484 26.145 40.827 1.00 11.69 O ATOM 763 CB THR A 126 7.958 27.647 42.909 1.00 16.94 C ATOM 764 OG1 THR A 126 8.715 28.761 43.395 1.00 21.25 O ATOM 765 CG2 THR A 126 8.046 26.506 43.921 1.00 15.73 C ATOM 0 H THR A 126 7.638 28.499 40.343 1.00 10.44 H new ATOM 0 HA THR A 126 9.448 26.964 41.681 1.00 10.84 H new ATOM 0 HB THR A 126 7.027 27.896 42.796 1.00 16.94 H new ATOM 0 HG1 THR A 126 8.371 29.476 43.119 1.00 21.25 H new ATOM 0 HG21 THR A 126 7.690 26.801 44.774 1.00 15.73 H new ATOM 0 HG22 THR A 126 7.531 25.749 43.601 1.00 15.73 H new ATOM 0 HG23 THR A 126 8.973 26.243 44.032 1.00 15.73 H new ATOM 766 N VAL A 127 8.393 24.954 40.682 1.00 10.02 N ATOM 767 CA VAL A 127 7.759 23.746 40.166 1.00 10.58 C ATOM 768 C VAL A 127 7.316 22.895 41.357 1.00 13.32 C ATOM 769 O VAL A 127 8.133 22.479 42.174 1.00 14.17 O ATOM 770 CB VAL A 127 8.732 22.971 39.253 1.00 6.13 C ATOM 771 CG1 VAL A 127 8.084 21.724 38.722 1.00 11.13 C ATOM 772 CG2 VAL A 127 9.156 23.853 38.099 1.00 4.20 C ATOM 0 H VAL A 127 9.248 24.897 40.755 1.00 10.02 H new ATOM 0 HA VAL A 127 6.986 23.976 39.627 1.00 10.58 H new ATOM 0 HB VAL A 127 9.509 22.717 39.775 1.00 6.13 H new ATOM 0 HG11 VAL A 127 8.710 21.252 38.151 1.00 11.13 H new ATOM 0 HG12 VAL A 127 7.827 21.152 39.462 1.00 11.13 H new ATOM 0 HG13 VAL A 127 7.296 21.962 38.209 1.00 11.13 H new ATOM 0 HG21 VAL A 127 9.768 23.365 37.526 1.00 4.20 H new ATOM 0 HG22 VAL A 127 8.374 24.115 37.588 1.00 4.20 H new ATOM 0 HG23 VAL A 127 9.598 24.645 38.442 1.00 4.20 H new ATOM 773 N LEU A 128 6.009 22.679 41.462 1.00 15.76 N ATOM 774 CA LEU A 128 5.418 21.922 42.561 1.00 14.41 C ATOM 775 C LEU A 128 5.619 20.414 42.546 1.00 14.94 C ATOM 776 O LEU A 128 5.305 19.738 41.567 1.00 18.34 O ATOM 777 CB LEU A 128 3.928 22.236 42.659 1.00 8.37 C ATOM 778 CG LEU A 128 3.623 23.705 42.949 1.00 13.63 C ATOM 779 CD1 LEU A 128 2.124 23.943 42.926 1.00 16.50 C ATOM 780 CD2 LEU A 128 4.218 24.095 44.284 1.00 9.43 C ATOM 0 H LEU A 128 5.435 22.970 40.892 1.00 15.76 H new ATOM 0 HA LEU A 128 5.909 22.220 43.342 1.00 14.41 H new ATOM 0 HB2 LEU A 128 3.498 21.984 41.827 1.00 8.37 H new ATOM 0 HB3 LEU A 128 3.536 21.689 43.358 1.00 8.37 H new ATOM 0 HG LEU A 128 4.023 24.260 42.261 1.00 13.63 H new ATOM 0 HD11 LEU A 128 1.942 24.878 43.111 1.00 16.50 H new ATOM 0 HD12 LEU A 128 1.773 23.712 42.052 1.00 16.50 H new ATOM 0 HD13 LEU A 128 1.698 23.391 43.601 1.00 16.50 H new ATOM 0 HD21 LEU A 128 4.023 25.028 44.465 1.00 9.43 H new ATOM 0 HD22 LEU A 128 3.834 23.543 44.983 1.00 9.43 H new ATOM 0 HD23 LEU A 128 5.179 23.965 44.261 1.00 9.43 H new ATOM 781 N VAL A 129 6.141 19.901 43.655 1.00 13.10 N ATOM 782 CA VAL A 129 6.383 18.474 43.837 1.00 12.32 C ATOM 783 C VAL A 129 6.021 18.173 45.288 1.00 11.73 C ATOM 784 O VAL A 129 6.536 18.813 46.201 1.00 14.65 O ATOM 785 CB VAL A 129 7.872 18.102 43.605 1.00 13.24 C ATOM 786 CG1 VAL A 129 8.078 16.614 43.820 1.00 2.43 C ATOM 787 CG2 VAL A 129 8.314 18.491 42.195 1.00 14.72 C ATOM 0 H VAL A 129 6.368 20.379 44.333 1.00 13.10 H new ATOM 0 HA VAL A 129 5.859 17.964 43.199 1.00 12.32 H new ATOM 0 HB VAL A 129 8.412 18.594 44.243 1.00 13.24 H new ATOM 0 HG11 VAL A 129 9.011 16.392 43.673 1.00 2.43 H new ATOM 0 HG12 VAL A 129 7.830 16.381 44.728 1.00 2.43 H new ATOM 0 HG13 VAL A 129 7.525 16.117 43.197 1.00 2.43 H new ATOM 0 HG21 VAL A 129 9.245 18.251 42.070 1.00 14.72 H new ATOM 0 HG22 VAL A 129 7.769 18.022 41.544 1.00 14.72 H new ATOM 0 HG23 VAL A 129 8.208 19.448 42.075 1.00 14.72 H new ATOM 788 N PRO A 130 5.088 17.232 45.519 1.00 12.81 N ATOM 789 CA PRO A 130 4.704 16.906 46.896 1.00 7.55 C ATOM 790 C PRO A 130 5.837 16.185 47.609 1.00 9.40 C ATOM 791 O PRO A 130 6.709 15.596 46.971 1.00 8.60 O ATOM 792 CB PRO A 130 3.484 16.004 46.705 1.00 2.67 C ATOM 793 CG PRO A 130 3.770 15.316 45.436 1.00 10.84 C ATOM 794 CD PRO A 130 4.339 16.407 44.555 1.00 6.25 C ATOM 0 HA PRO A 130 4.511 17.682 47.445 1.00 7.55 H new ATOM 0 HB2 PRO A 130 3.384 15.377 47.438 1.00 2.67 H new ATOM 0 HB3 PRO A 130 2.663 16.518 46.657 1.00 2.67 H new ATOM 0 HG2 PRO A 130 4.403 14.591 45.559 1.00 10.84 H new ATOM 0 HG3 PRO A 130 2.967 14.930 45.051 1.00 10.84 H new ATOM 0 HD2 PRO A 130 4.915 16.048 43.862 1.00 6.25 H new ATOM 0 HD3 PRO A 130 3.641 16.914 44.111 1.00 6.25 H new ATOM 795 N PRO A 131 5.857 16.244 48.944 1.00 9.06 N ATOM 796 CA PRO A 131 6.916 15.580 49.702 1.00 7.99 C ATOM 797 C PRO A 131 6.910 14.061 49.595 1.00 10.34 C ATOM 798 O PRO A 131 5.863 13.435 49.415 1.00 9.58 O ATOM 799 CB PRO A 131 6.633 16.027 51.132 1.00 7.65 C ATOM 800 CG PRO A 131 5.158 16.200 51.148 1.00 10.84 C ATOM 801 CD PRO A 131 4.911 16.916 49.848 1.00 9.95 C ATOM 0 HA PRO A 131 7.794 15.820 49.367 1.00 7.99 H new ATOM 0 HB2 PRO A 131 6.923 15.365 51.779 1.00 7.65 H new ATOM 0 HB3 PRO A 131 7.093 16.854 51.347 1.00 7.65 H new ATOM 0 HG2 PRO A 131 4.693 15.349 51.188 1.00 10.84 H new ATOM 0 HG3 PRO A 131 4.862 16.721 51.911 1.00 10.84 H new ATOM 0 HD2 PRO A 131 3.993 16.820 49.549 1.00 9.95 H new ATOM 0 HD3 PRO A 131 5.089 17.867 49.918 1.00 9.95 H new ATOM 802 N SER A 132 8.105 13.486 49.666 1.00 11.33 N ATOM 803 CA SER A 132 8.281 12.043 49.636 1.00 10.14 C ATOM 804 C SER A 132 8.281 11.560 51.088 1.00 8.99 C ATOM 805 O SER A 132 8.400 12.365 52.015 1.00 6.70 O ATOM 806 CB SER A 132 9.611 11.683 48.973 1.00 9.26 C ATOM 807 OG SER A 132 9.587 11.977 47.586 1.00 10.51 O ATOM 0 H SER A 132 8.840 13.927 49.733 1.00 11.33 H new ATOM 0 HA SER A 132 7.570 11.624 49.127 1.00 10.14 H new ATOM 0 HB2 SER A 132 10.331 12.175 49.398 1.00 9.26 H new ATOM 0 HB3 SER A 132 9.796 10.740 49.103 1.00 9.26 H new ATOM 0 HG SER A 132 10.366 11.929 47.276 1.00 10.51 H new ATOM 808 N LYS A 133 8.133 10.252 51.280 1.00 9.90 N ATOM 809 CA LYS A 133 8.132 9.661 52.614 1.00 7.40 C ATOM 810 C LYS A 133 9.466 10.002 53.255 1.00 6.66 C ATOM 811 O LYS A 133 10.518 9.652 52.729 1.00 9.12 O ATOM 812 CB LYS A 133 7.969 8.139 52.521 1.00 9.19 C ATOM 813 CG LYS A 133 7.928 7.423 53.863 1.00 6.36 C ATOM 814 CD LYS A 133 7.650 5.942 53.675 1.00 13.00 C ATOM 815 CE LYS A 133 7.494 5.226 55.006 1.00 22.49 C ATOM 816 NZ LYS A 133 7.276 3.758 54.826 1.00 31.42 N ATOM 0 H LYS A 133 8.031 9.684 50.642 1.00 9.90 H new ATOM 0 HA LYS A 133 7.395 10.007 53.141 1.00 7.40 H new ATOM 0 HB2 LYS A 133 7.151 7.942 52.038 1.00 9.19 H new ATOM 0 HB3 LYS A 133 8.702 7.778 51.998 1.00 9.19 H new ATOM 0 HG2 LYS A 133 8.773 7.542 54.324 1.00 6.36 H new ATOM 0 HG3 LYS A 133 7.241 7.817 54.424 1.00 6.36 H new ATOM 0 HD2 LYS A 133 6.843 5.828 53.150 1.00 13.00 H new ATOM 0 HD3 LYS A 133 8.375 5.538 53.173 1.00 13.00 H new ATOM 0 HE2 LYS A 133 8.287 5.371 55.546 1.00 22.49 H new ATOM 0 HE3 LYS A 133 6.746 5.607 55.492 1.00 22.49 H new ATOM 0 HZ1 LYS A 133 7.032 3.397 55.602 1.00 31.42 H new ATOM 0 HZ2 LYS A 133 6.636 3.625 54.222 1.00 31.42 H new ATOM 0 HZ3 LYS A 133 8.031 3.378 54.547 1.00 31.42 H new ATOM 817 N PRO A 134 9.442 10.760 54.358 1.00 5.98 N ATOM 818 CA PRO A 134 10.696 11.126 55.021 1.00 4.36 C ATOM 819 C PRO A 134 11.328 9.973 55.783 1.00 6.38 C ATOM 820 O PRO A 134 10.653 9.003 56.115 1.00 10.42 O ATOM 821 CB PRO A 134 10.257 12.235 55.978 1.00 5.23 C ATOM 822 CG PRO A 134 8.851 11.840 56.336 1.00 3.81 C ATOM 823 CD PRO A 134 8.280 11.402 55.007 1.00 2.00 C ATOM 0 HA PRO A 134 11.380 11.392 54.387 1.00 4.36 H new ATOM 0 HB2 PRO A 134 10.828 12.280 56.761 1.00 5.23 H new ATOM 0 HB3 PRO A 134 10.288 13.107 55.555 1.00 5.23 H new ATOM 0 HG2 PRO A 134 8.833 11.123 56.989 1.00 3.81 H new ATOM 0 HG3 PRO A 134 8.354 12.582 56.715 1.00 3.81 H new ATOM 0 HD2 PRO A 134 7.541 10.784 55.117 1.00 2.00 H new ATOM 0 HD3 PRO A 134 7.947 12.153 54.491 1.00 2.00 H new ATOM 824 N THR A 135 12.638 10.055 56.001 1.00 6.44 N ATOM 825 CA THR A 135 13.346 9.039 56.779 1.00 7.36 C ATOM 826 C THR A 135 13.674 9.689 58.113 1.00 9.37 C ATOM 827 O THR A 135 13.736 10.920 58.207 1.00 11.21 O ATOM 828 CB THR A 135 14.695 8.626 56.147 1.00 5.17 C ATOM 829 OG1 THR A 135 15.553 9.772 56.058 1.00 6.59 O ATOM 830 CG2 THR A 135 14.495 8.015 54.768 1.00 2.24 C ATOM 0 H THR A 135 13.136 10.691 55.707 1.00 6.44 H new ATOM 0 HA THR A 135 12.787 8.248 56.837 1.00 7.36 H new ATOM 0 HB THR A 135 15.106 7.954 56.713 1.00 5.17 H new ATOM 0 HG1 THR A 135 16.287 9.547 55.716 1.00 6.59 H new ATOM 0 HG21 THR A 135 15.356 7.766 54.396 1.00 2.24 H new ATOM 0 HG22 THR A 135 13.935 7.227 54.841 1.00 2.24 H new ATOM 0 HG23 THR A 135 14.067 8.662 54.186 1.00 2.24 H new ATOM 831 N ILE A 136 13.864 8.875 59.147 1.00 11.37 N ATOM 832 CA ILE A 136 14.228 9.402 60.457 1.00 13.09 C ATOM 833 C ILE A 136 15.457 8.704 60.999 1.00 11.80 C ATOM 834 O ILE A 136 15.747 7.565 60.634 1.00 13.47 O ATOM 835 CB ILE A 136 13.106 9.262 61.521 1.00 12.96 C ATOM 836 CG1 ILE A 136 12.683 7.805 61.682 1.00 11.37 C ATOM 837 CG2 ILE A 136 11.938 10.164 61.194 1.00 22.57 C ATOM 838 CD1 ILE A 136 11.788 7.596 62.878 1.00 20.24 C ATOM 0 H ILE A 136 13.788 8.019 59.111 1.00 11.37 H new ATOM 0 HA ILE A 136 14.394 10.346 60.307 1.00 13.09 H new ATOM 0 HB ILE A 136 13.458 9.550 62.378 1.00 12.96 H new ATOM 0 HG12 ILE A 136 12.221 7.514 60.880 1.00 11.37 H new ATOM 0 HG13 ILE A 136 13.473 7.249 61.771 1.00 11.37 H new ATOM 0 HG21 ILE A 136 11.250 10.061 61.870 1.00 22.57 H new ATOM 0 HG22 ILE A 136 12.237 11.087 61.175 1.00 22.57 H new ATOM 0 HG23 ILE A 136 11.577 9.924 60.326 1.00 22.57 H new ATOM 0 HD11 ILE A 136 11.545 6.659 62.941 1.00 20.24 H new ATOM 0 HD12 ILE A 136 12.257 7.863 63.684 1.00 20.24 H new ATOM 0 HD13 ILE A 136 10.985 8.132 62.779 1.00 20.24 H new ATOM 839 N SER A 137 16.196 9.415 61.842 1.00 10.59 N ATOM 840 CA SER A 137 17.379 8.867 62.484 1.00 11.70 C ATOM 841 C SER A 137 17.141 9.007 63.975 1.00 12.95 C ATOM 842 O SER A 137 17.153 10.116 64.516 1.00 13.87 O ATOM 843 CB SER A 137 18.641 9.627 62.079 1.00 14.77 C ATOM 844 OG SER A 137 18.972 9.395 60.721 1.00 30.82 O ATOM 0 H SER A 137 16.024 10.230 62.057 1.00 10.59 H new ATOM 0 HA SER A 137 17.517 7.944 62.220 1.00 11.70 H new ATOM 0 HB2 SER A 137 18.509 10.577 62.223 1.00 14.77 H new ATOM 0 HB3 SER A 137 19.380 9.354 62.645 1.00 14.77 H new ATOM 0 HG SER A 137 18.849 10.098 60.278 1.00 30.82 H new ATOM 845 N VAL A 138 16.820 7.888 64.613 1.00 9.69 N ATOM 846 CA VAL A 138 16.572 7.863 66.042 1.00 11.77 C ATOM 847 C VAL A 138 17.509 6.860 66.693 1.00 14.64 C ATOM 848 O VAL A 138 17.432 5.658 66.423 1.00 15.16 O ATOM 849 CB VAL A 138 15.119 7.457 66.372 1.00 13.87 C ATOM 850 CG1 VAL A 138 14.922 7.382 67.889 1.00 11.05 C ATOM 851 CG2 VAL A 138 14.146 8.447 65.765 1.00 3.68 C ATOM 0 H VAL A 138 16.741 7.124 64.227 1.00 9.69 H new ATOM 0 HA VAL A 138 16.723 8.759 66.381 1.00 11.77 H new ATOM 0 HB VAL A 138 14.947 6.581 65.992 1.00 13.87 H new ATOM 0 HG11 VAL A 138 14.007 7.126 68.084 1.00 11.05 H new ATOM 0 HG12 VAL A 138 15.528 6.723 68.262 1.00 11.05 H new ATOM 0 HG13 VAL A 138 15.106 8.249 68.283 1.00 11.05 H new ATOM 0 HG21 VAL A 138 13.238 8.181 65.979 1.00 3.68 H new ATOM 0 HG22 VAL A 138 14.317 9.331 66.125 1.00 3.68 H new ATOM 0 HG23 VAL A 138 14.259 8.463 64.802 1.00 3.68 H new ATOM 852 N PRO A 139 18.440 7.350 67.525 1.00 11.87 N ATOM 853 CA PRO A 139 19.388 6.469 68.210 1.00 10.50 C ATOM 854 C PRO A 139 18.644 5.518 69.147 1.00 11.33 C ATOM 855 O PRO A 139 17.809 5.943 69.952 1.00 13.11 O ATOM 856 CB PRO A 139 20.293 7.456 68.959 1.00 9.39 C ATOM 857 CG PRO A 139 19.431 8.682 69.132 1.00 12.11 C ATOM 858 CD PRO A 139 18.717 8.767 67.818 1.00 10.10 C ATOM 0 HA PRO A 139 19.895 5.889 67.620 1.00 10.50 H new ATOM 0 HB2 PRO A 139 20.577 7.098 69.815 1.00 9.39 H new ATOM 0 HB3 PRO A 139 21.097 7.655 68.453 1.00 9.39 H new ATOM 0 HG2 PRO A 139 18.813 8.587 69.873 1.00 12.11 H new ATOM 0 HG3 PRO A 139 19.962 9.475 69.306 1.00 12.11 H new ATOM 0 HD2 PRO A 139 17.903 9.290 67.881 1.00 10.10 H new ATOM 0 HD3 PRO A 139 19.266 9.178 67.133 1.00 10.10 H new ATOM 859 N SER A 140 18.906 4.225 68.990 1.00 11.87 N ATOM 860 CA SER A 140 18.254 3.201 69.800 1.00 14.70 C ATOM 861 C SER A 140 18.527 3.346 71.298 1.00 16.73 C ATOM 862 O SER A 140 17.669 3.030 72.123 1.00 19.79 O ATOM 863 CB SER A 140 18.662 1.804 69.320 1.00 17.65 C ATOM 864 OG SER A 140 20.056 1.593 69.467 1.00 31.04 O ATOM 0 H SER A 140 19.465 3.917 68.413 1.00 11.87 H new ATOM 0 HA SER A 140 17.299 3.324 69.681 1.00 14.70 H new ATOM 0 HB2 SER A 140 18.177 1.132 69.824 1.00 17.65 H new ATOM 0 HB3 SER A 140 18.413 1.695 68.389 1.00 17.65 H new ATOM 0 HG SER A 140 20.253 0.822 69.199 1.00 31.04 H new ATOM 865 N SER A 141 19.715 3.839 71.639 1.00 15.33 N ATOM 866 CA SER A 141 20.105 4.031 73.031 1.00 17.38 C ATOM 867 C SER A 141 20.881 5.324 73.221 1.00 16.11 C ATOM 868 O SER A 141 21.750 5.660 72.414 1.00 17.01 O ATOM 869 CB SER A 141 20.964 2.858 73.520 1.00 20.84 C ATOM 870 OG SER A 141 20.189 1.690 73.728 1.00 34.00 O ATOM 0 H SER A 141 20.316 4.071 71.070 1.00 15.33 H new ATOM 0 HA SER A 141 19.287 4.077 73.551 1.00 17.38 H new ATOM 0 HB2 SER A 141 21.660 2.673 72.870 1.00 20.84 H new ATOM 0 HB3 SER A 141 21.407 3.104 74.347 1.00 20.84 H new ATOM 0 HG SER A 141 20.686 1.067 73.993 1.00 34.00 H new ATOM 871 N VAL A 142 20.545 6.053 74.281 1.00 11.96 N ATOM 872 CA VAL A 142 21.224 7.301 74.616 1.00 10.81 C ATOM 873 C VAL A 142 21.460 7.361 76.120 1.00 16.31 C ATOM 874 O VAL A 142 20.696 6.791 76.910 1.00 16.41 O ATOM 875 CB VAL A 142 20.419 8.564 74.200 1.00 8.09 C ATOM 876 CG1 VAL A 142 20.352 8.688 72.685 1.00 2.00 C ATOM 877 CG2 VAL A 142 19.028 8.541 74.822 1.00 2.00 C ATOM 0 H VAL A 142 19.916 5.838 74.827 1.00 11.96 H new ATOM 0 HA VAL A 142 22.059 7.304 74.122 1.00 10.81 H new ATOM 0 HB VAL A 142 20.880 9.348 74.536 1.00 8.09 H new ATOM 0 HG11 VAL A 142 19.846 9.481 72.447 1.00 2.00 H new ATOM 0 HG12 VAL A 142 21.250 8.758 72.326 1.00 2.00 H new ATOM 0 HG13 VAL A 142 19.916 7.904 72.315 1.00 2.00 H new ATOM 0 HG21 VAL A 142 18.540 9.335 74.553 1.00 2.00 H new ATOM 0 HG22 VAL A 142 18.552 7.751 74.521 1.00 2.00 H new ATOM 0 HG23 VAL A 142 19.106 8.522 75.789 1.00 2.00 H new ATOM 878 N THR A 143 22.516 8.063 76.512 1.00 14.57 N ATOM 879 CA THR A 143 22.860 8.206 77.916 1.00 12.65 C ATOM 880 C THR A 143 22.223 9.452 78.519 1.00 13.12 C ATOM 881 O THR A 143 22.396 10.558 78.007 1.00 16.42 O ATOM 882 CB THR A 143 24.389 8.251 78.098 1.00 9.77 C ATOM 883 OG1 THR A 143 24.957 7.033 77.601 1.00 12.60 O ATOM 884 CG2 THR A 143 24.756 8.404 79.556 1.00 8.42 C ATOM 0 H THR A 143 23.050 8.468 75.973 1.00 14.57 H new ATOM 0 HA THR A 143 22.511 7.432 78.384 1.00 12.65 H new ATOM 0 HB THR A 143 24.735 9.013 77.608 1.00 9.77 H new ATOM 0 HG1 THR A 143 24.923 6.443 78.198 1.00 12.60 H new ATOM 0 HG21 THR A 143 25.721 8.430 79.646 1.00 8.42 H new ATOM 0 HG22 THR A 143 24.377 9.228 79.900 1.00 8.42 H new ATOM 0 HG23 THR A 143 24.405 7.652 80.059 1.00 8.42 H new ATOM 885 N ILE A 144 21.460 9.251 79.593 1.00 11.51 N ATOM 886 CA ILE A 144 20.787 10.330 80.317 1.00 9.21 C ATOM 887 C ILE A 144 21.808 11.401 80.723 1.00 10.26 C ATOM 888 O ILE A 144 22.889 11.087 81.228 1.00 9.76 O ATOM 889 CB ILE A 144 20.076 9.772 81.582 1.00 12.81 C ATOM 890 CG1 ILE A 144 18.980 8.791 81.161 1.00 18.08 C ATOM 891 CG2 ILE A 144 19.482 10.899 82.419 1.00 8.10 C ATOM 892 CD1 ILE A 144 18.359 8.042 82.303 1.00 8.65 C ATOM 0 H ILE A 144 21.317 8.471 79.927 1.00 11.51 H new ATOM 0 HA ILE A 144 20.121 10.727 79.735 1.00 9.21 H new ATOM 0 HB ILE A 144 20.732 9.310 82.128 1.00 12.81 H new ATOM 0 HG12 ILE A 144 18.286 9.279 80.691 1.00 18.08 H new ATOM 0 HG13 ILE A 144 19.354 8.153 80.533 1.00 18.08 H new ATOM 0 HG21 ILE A 144 19.045 10.526 83.201 1.00 8.10 H new ATOM 0 HG22 ILE A 144 20.189 11.501 82.700 1.00 8.10 H new ATOM 0 HG23 ILE A 144 18.833 11.389 81.889 1.00 8.10 H new ATOM 0 HD11 ILE A 144 17.677 7.442 81.964 1.00 8.65 H new ATOM 0 HD12 ILE A 144 19.041 7.528 82.762 1.00 8.65 H new ATOM 0 HD13 ILE A 144 17.957 8.671 82.922 1.00 8.65 H new ATOM 893 N GLY A 145 21.457 12.662 80.491 1.00 8.77 N ATOM 894 CA GLY A 145 22.351 13.759 80.807 1.00 5.52 C ATOM 895 C GLY A 145 23.038 14.266 79.548 1.00 8.18 C ATOM 896 O GLY A 145 23.497 15.410 79.491 1.00 7.55 O ATOM 0 H GLY A 145 20.704 12.900 80.151 1.00 8.77 H new ATOM 0 HA2 GLY A 145 21.853 14.480 81.223 1.00 5.52 H new ATOM 0 HA3 GLY A 145 23.016 13.467 81.450 1.00 5.52 H new ATOM 897 N ASN A 146 23.114 13.411 78.532 1.00 9.28 N ATOM 898 CA ASN A 146 23.745 13.786 77.273 1.00 12.73 C ATOM 899 C ASN A 146 22.776 14.357 76.243 1.00 15.11 C ATOM 900 O ASN A 146 21.568 14.468 76.488 1.00 14.14 O ATOM 901 CB ASN A 146 24.519 12.604 76.685 1.00 5.93 C ATOM 902 CG ASN A 146 25.844 12.369 77.393 1.00 18.21 C ATOM 903 OD1 ASN A 146 26.303 13.209 78.173 1.00 12.44 O ATOM 904 ND2 ASN A 146 26.474 11.233 77.114 1.00 11.22 N ATOM 0 H ASN A 146 22.806 12.608 78.553 1.00 9.28 H new ATOM 0 HA ASN A 146 24.361 14.504 77.487 1.00 12.73 H new ATOM 0 HB2 ASN A 146 23.976 11.803 76.746 1.00 5.93 H new ATOM 0 HB3 ASN A 146 24.683 12.765 75.743 1.00 5.93 H new ATOM 0 HD21 ASN A 146 27.232 11.060 77.482 1.00 11.22 H new ATOM 0 HD22 ASN A 146 26.124 10.671 76.565 1.00 11.22 H new ATOM 905 N ARG A 147 23.332 14.744 75.099 1.00 14.24 N ATOM 906 CA ARG A 147 22.567 15.316 74.005 1.00 10.34 C ATOM 907 C ARG A 147 22.135 14.242 73.009 1.00 12.52 C ATOM 908 O ARG A 147 22.843 13.257 72.787 1.00 17.12 O ATOM 909 CB ARG A 147 23.414 16.378 73.297 1.00 10.97 C ATOM 910 CG ARG A 147 22.716 17.139 72.167 1.00 14.06 C ATOM 911 CD ARG A 147 23.672 18.158 71.561 1.00 14.26 C ATOM 912 NE ARG A 147 23.107 18.904 70.438 1.00 17.52 N ATOM 913 CZ ARG A 147 22.399 20.023 70.558 1.00 12.19 C ATOM 914 NH1 ARG A 147 22.133 20.522 71.756 1.00 2.00 N ATOM 915 NH2 ARG A 147 21.937 20.632 69.477 1.00 4.48 N ATOM 0 H ARG A 147 24.174 14.680 74.938 1.00 14.24 H new ATOM 0 HA ARG A 147 21.765 15.723 74.369 1.00 10.34 H new ATOM 0 HB2 ARG A 147 23.717 17.020 73.958 1.00 10.97 H new ATOM 0 HB3 ARG A 147 24.205 15.949 72.935 1.00 10.97 H new ATOM 0 HG2 ARG A 147 22.417 16.518 71.484 1.00 14.06 H new ATOM 0 HG3 ARG A 147 21.926 17.587 72.508 1.00 14.06 H new ATOM 0 HD2 ARG A 147 23.943 18.784 72.250 1.00 14.26 H new ATOM 0 HD3 ARG A 147 24.473 17.700 71.263 1.00 14.26 H new ATOM 0 HE ARG A 147 23.242 18.598 69.646 1.00 17.52 H new ATOM 0 HH11 ARG A 147 22.419 20.122 72.462 1.00 2.00 H new ATOM 0 HH12 ARG A 147 21.675 21.246 71.828 1.00 2.00 H new ATOM 0 HH21 ARG A 147 22.095 20.304 68.698 1.00 4.48 H new ATOM 0 HH22 ARG A 147 21.479 21.356 69.554 1.00 4.48 H new ATOM 916 N ALA A 148 20.954 14.430 72.434 1.00 10.48 N ATOM 917 CA ALA A 148 20.425 13.511 71.438 1.00 9.35 C ATOM 918 C ALA A 148 19.620 14.309 70.418 1.00 9.31 C ATOM 919 O ALA A 148 18.719 15.068 70.783 1.00 9.63 O ATOM 920 CB ALA A 148 19.548 12.449 72.092 1.00 7.14 C ATOM 0 H ALA A 148 20.437 15.094 72.611 1.00 10.48 H new ATOM 0 HA ALA A 148 21.159 13.056 70.997 1.00 9.35 H new ATOM 0 HB1 ALA A 148 19.206 11.848 71.412 1.00 7.14 H new ATOM 0 HB2 ALA A 148 20.073 11.946 72.734 1.00 7.14 H new ATOM 0 HB3 ALA A 148 18.806 12.877 72.547 1.00 7.14 H new ATOM 921 N VAL A 149 19.989 14.178 69.146 1.00 5.76 N ATOM 922 CA VAL A 149 19.293 14.877 68.075 1.00 9.03 C ATOM 923 C VAL A 149 18.636 13.861 67.152 1.00 11.93 C ATOM 924 O VAL A 149 19.312 12.996 66.594 1.00 16.35 O ATOM 925 CB VAL A 149 20.249 15.751 67.236 1.00 4.90 C ATOM 926 CG1 VAL A 149 19.470 16.470 66.151 1.00 13.84 C ATOM 927 CG2 VAL A 149 20.973 16.761 68.119 1.00 5.90 C ATOM 0 H VAL A 149 20.644 13.686 68.883 1.00 5.76 H new ATOM 0 HA VAL A 149 18.632 15.455 68.487 1.00 9.03 H new ATOM 0 HB VAL A 149 20.913 15.176 66.825 1.00 4.90 H new ATOM 0 HG11 VAL A 149 20.075 17.018 65.627 1.00 13.84 H new ATOM 0 HG12 VAL A 149 19.042 15.818 65.574 1.00 13.84 H new ATOM 0 HG13 VAL A 149 18.794 17.034 66.558 1.00 13.84 H new ATOM 0 HG21 VAL A 149 21.568 17.300 67.574 1.00 5.90 H new ATOM 0 HG22 VAL A 149 20.323 17.336 68.553 1.00 5.90 H new ATOM 0 HG23 VAL A 149 21.489 16.291 68.793 1.00 5.90 H new ATOM 928 N LEU A 150 17.312 13.921 67.046 1.00 9.86 N ATOM 929 CA LEU A 150 16.589 13.010 66.168 1.00 7.64 C ATOM 930 C LEU A 150 16.319 13.791 64.887 1.00 10.57 C ATOM 931 O LEU A 150 15.867 14.938 64.943 1.00 11.35 O ATOM 932 CB LEU A 150 15.276 12.551 66.804 1.00 4.91 C ATOM 933 CG LEU A 150 15.235 12.069 68.262 1.00 17.70 C ATOM 934 CD1 LEU A 150 13.991 11.216 68.463 1.00 18.12 C ATOM 935 CD2 LEU A 150 16.463 11.265 68.629 1.00 18.40 C ATOM 0 H LEU A 150 16.816 14.480 67.472 1.00 9.86 H new ATOM 0 HA LEU A 150 17.106 12.207 65.997 1.00 7.64 H new ATOM 0 HB2 LEU A 150 14.650 13.288 66.730 1.00 4.91 H new ATOM 0 HB3 LEU A 150 14.930 11.830 66.255 1.00 4.91 H new ATOM 0 HG LEU A 150 15.214 12.849 68.838 1.00 17.70 H new ATOM 0 HD11 LEU A 150 13.956 10.906 69.382 1.00 18.12 H new ATOM 0 HD12 LEU A 150 13.201 11.745 68.270 1.00 18.12 H new ATOM 0 HD13 LEU A 150 14.022 10.452 67.866 1.00 18.12 H new ATOM 0 HD21 LEU A 150 16.399 10.980 69.554 1.00 18.40 H new ATOM 0 HD22 LEU A 150 16.523 10.486 68.055 1.00 18.40 H new ATOM 0 HD23 LEU A 150 17.255 11.813 68.514 1.00 18.40 H new ATOM 936 N THR A 151 16.638 13.201 63.739 1.00 5.50 N ATOM 937 CA THR A 151 16.432 13.892 62.475 1.00 3.48 C ATOM 938 C THR A 151 15.270 13.355 61.668 1.00 6.88 C ATOM 939 O THR A 151 14.909 12.184 61.765 1.00 7.79 O ATOM 940 CB THR A 151 17.677 13.861 61.595 1.00 3.28 C ATOM 941 OG1 THR A 151 17.959 12.510 61.219 1.00 9.89 O ATOM 942 CG2 THR A 151 18.862 14.443 62.338 1.00 15.25 C ATOM 0 H THR A 151 16.971 12.411 63.672 1.00 5.50 H new ATOM 0 HA THR A 151 16.228 14.804 62.734 1.00 3.48 H new ATOM 0 HB THR A 151 17.516 14.394 60.801 1.00 3.28 H new ATOM 0 HG1 THR A 151 17.565 12.331 60.499 1.00 9.89 H new ATOM 0 HG21 THR A 151 19.646 14.417 61.768 1.00 15.25 H new ATOM 0 HG22 THR A 151 18.671 15.362 62.583 1.00 15.25 H new ATOM 0 HG23 THR A 151 19.029 13.923 63.140 1.00 15.25 H new ATOM 943 N CYS A 152 14.719 14.228 60.836 1.00 7.99 N ATOM 944 CA CYS A 152 13.588 13.907 59.985 1.00 6.95 C ATOM 945 C CYS A 152 13.765 14.707 58.716 1.00 5.97 C ATOM 946 O CYS A 152 13.909 15.926 58.777 1.00 7.10 O ATOM 947 CB CYS A 152 12.289 14.349 60.660 1.00 2.00 C ATOM 948 SG CYS A 152 10.794 14.153 59.639 1.00 7.42 S ATOM 0 H CYS A 152 14.998 15.037 60.750 1.00 7.99 H new ATOM 0 HA CYS A 152 13.545 12.953 59.813 1.00 6.95 H new ATOM 0 HB2 CYS A 152 12.175 13.841 61.479 1.00 2.00 H new ATOM 0 HB3 CYS A 152 12.372 15.281 60.914 1.00 2.00 H new ATOM 949 N SER A 153 13.769 14.033 57.572 1.00 4.18 N ATOM 950 CA SER A 153 13.911 14.748 56.315 1.00 6.70 C ATOM 951 C SER A 153 13.567 13.980 55.053 1.00 4.01 C ATOM 952 O SER A 153 13.485 12.750 55.038 1.00 4.03 O ATOM 953 CB SER A 153 15.327 15.320 56.174 1.00 12.76 C ATOM 954 OG SER A 153 16.265 14.298 55.915 1.00 3.06 O ATOM 0 H SER A 153 13.692 13.179 57.503 1.00 4.18 H new ATOM 0 HA SER A 153 13.242 15.447 56.381 1.00 6.70 H new ATOM 0 HB2 SER A 153 15.346 15.970 55.454 1.00 12.76 H new ATOM 0 HB3 SER A 153 15.572 15.789 56.987 1.00 12.76 H new ATOM 0 HG SER A 153 17.032 14.633 55.840 1.00 3.06 H new ATOM 955 N GLU A 154 13.336 14.758 54.002 1.00 4.13 N ATOM 956 CA GLU A 154 13.056 14.262 52.663 1.00 7.45 C ATOM 957 C GLU A 154 13.604 15.374 51.764 1.00 9.07 C ATOM 958 O GLU A 154 13.727 16.521 52.201 1.00 7.71 O ATOM 959 CB GLU A 154 11.556 14.007 52.455 1.00 6.46 C ATOM 960 CG GLU A 154 10.656 15.230 52.442 1.00 8.21 C ATOM 961 CD GLU A 154 10.475 15.807 51.057 1.00 7.53 C ATOM 962 OE1 GLU A 154 10.495 15.038 50.069 1.00 16.42 O ATOM 963 OE2 GLU A 154 10.312 17.034 50.955 1.00 12.32 O ATOM 0 H GLU A 154 13.338 15.617 54.051 1.00 4.13 H new ATOM 0 HA GLU A 154 13.463 13.402 52.474 1.00 7.45 H new ATOM 0 HB2 GLU A 154 11.442 13.537 51.614 1.00 6.46 H new ATOM 0 HB3 GLU A 154 11.249 13.412 53.157 1.00 6.46 H new ATOM 0 HG2 GLU A 154 9.788 14.992 52.805 1.00 8.21 H new ATOM 0 HG3 GLU A 154 11.031 15.909 53.025 1.00 8.21 H new ATOM 964 N HIS A 155 13.983 15.040 50.536 1.00 12.39 N ATOM 965 CA HIS A 155 14.553 16.047 49.645 1.00 13.56 C ATOM 966 C HIS A 155 13.866 16.223 48.293 1.00 13.24 C ATOM 967 O HIS A 155 14.420 16.870 47.401 1.00 13.01 O ATOM 968 CB HIS A 155 16.043 15.762 49.431 1.00 12.24 C ATOM 969 CG HIS A 155 16.323 14.399 48.881 1.00 14.05 C ATOM 970 ND1 HIS A 155 16.409 13.279 49.681 1.00 15.47 N ATOM 971 CD2 HIS A 155 16.510 13.971 47.611 1.00 2.67 C ATOM 972 CE1 HIS A 155 16.635 12.219 48.926 1.00 12.37 C ATOM 973 NE2 HIS A 155 16.702 12.612 47.666 1.00 13.82 N ATOM 0 H HIS A 155 13.921 14.250 50.202 1.00 12.39 H new ATOM 0 HA HIS A 155 14.407 16.889 50.105 1.00 13.56 H new ATOM 0 HB2 HIS A 155 16.407 16.427 48.826 1.00 12.24 H new ATOM 0 HB3 HIS A 155 16.508 15.862 50.276 1.00 12.24 H new ATOM 0 HD1 HIS A 155 16.328 13.272 50.537 1.00 15.47 H new ATOM 0 HD2 HIS A 155 16.509 14.498 46.845 1.00 2.67 H new ATOM 0 HE1 HIS A 155 16.731 11.345 49.229 1.00 12.37 H new ATOM 974 N ASP A 156 12.660 15.684 48.140 1.00 11.57 N ATOM 975 CA ASP A 156 11.951 15.806 46.870 1.00 10.60 C ATOM 976 C ASP A 156 10.952 16.939 46.803 1.00 12.82 C ATOM 977 O ASP A 156 10.737 17.519 45.740 1.00 17.98 O ATOM 978 CB ASP A 156 11.273 14.493 46.507 1.00 5.29 C ATOM 979 CG ASP A 156 12.270 13.396 46.203 1.00 13.62 C ATOM 980 OD1 ASP A 156 13.275 13.677 45.513 1.00 10.32 O ATOM 981 OD2 ASP A 156 12.050 12.254 46.651 1.00 14.08 O ATOM 0 H ASP A 156 12.239 15.249 48.751 1.00 11.57 H new ATOM 0 HA ASP A 156 12.638 16.024 46.220 1.00 10.60 H new ATOM 0 HB2 ASP A 156 10.701 14.214 47.239 1.00 5.29 H new ATOM 0 HB3 ASP A 156 10.700 14.629 45.736 1.00 5.29 H new ATOM 982 N GLY A 157 10.358 17.264 47.944 1.00 12.61 N ATOM 983 CA GLY A 157 9.376 18.330 47.994 1.00 13.38 C ATOM 984 C GLY A 157 9.827 19.671 47.447 1.00 12.17 C ATOM 985 O GLY A 157 10.969 20.085 47.633 1.00 14.44 O ATOM 0 H GLY A 157 10.511 16.879 48.698 1.00 12.61 H new ATOM 0 HA2 GLY A 157 8.591 18.046 47.501 1.00 13.38 H new ATOM 0 HA3 GLY A 157 9.103 18.452 48.917 1.00 13.38 H new ATOM 986 N SER A 158 8.908 20.344 46.763 1.00 12.25 N ATOM 987 CA SER A 158 9.154 21.657 46.183 1.00 9.23 C ATOM 988 C SER A 158 7.838 22.434 46.253 1.00 9.66 C ATOM 989 O SER A 158 6.855 22.055 45.615 1.00 11.90 O ATOM 990 CB SER A 158 9.621 21.516 44.732 1.00 6.59 C ATOM 991 OG SER A 158 9.991 22.769 44.185 1.00 8.60 O ATOM 0 H SER A 158 8.114 20.046 46.621 1.00 12.25 H new ATOM 0 HA SER A 158 9.851 22.125 46.668 1.00 9.23 H new ATOM 0 HB2 SER A 158 10.375 20.908 44.691 1.00 6.59 H new ATOM 0 HB3 SER A 158 8.912 21.125 44.198 1.00 6.59 H new ATOM 0 HG SER A 158 9.528 22.924 43.501 1.00 8.60 H new ATOM 992 N PRO A 159 7.775 23.482 47.094 1.00 8.33 N ATOM 993 CA PRO A 159 8.818 24.006 47.988 1.00 7.35 C ATOM 994 C PRO A 159 9.222 23.031 49.100 1.00 12.64 C ATOM 995 O PRO A 159 8.563 22.010 49.315 1.00 14.17 O ATOM 996 CB PRO A 159 8.170 25.271 48.557 1.00 6.29 C ATOM 997 CG PRO A 159 6.715 24.945 48.557 1.00 6.24 C ATOM 998 CD PRO A 159 6.540 24.278 47.214 1.00 6.00 C ATOM 0 HA PRO A 159 9.652 24.165 47.519 1.00 7.35 H new ATOM 0 HB2 PRO A 159 8.492 25.467 49.451 1.00 6.29 H new ATOM 0 HB3 PRO A 159 8.362 26.048 48.009 1.00 6.29 H new ATOM 0 HG2 PRO A 159 6.476 24.355 49.289 1.00 6.24 H new ATOM 0 HG3 PRO A 159 6.165 25.740 48.642 1.00 6.24 H new ATOM 0 HD2 PRO A 159 5.746 23.721 47.188 1.00 6.00 H new ATOM 0 HD3 PRO A 159 6.456 24.926 46.497 1.00 6.00 H new ATOM 999 N PRO A 160 10.332 23.322 49.804 1.00 13.77 N ATOM 1000 CA PRO A 160 10.834 22.477 50.893 1.00 12.90 C ATOM 1001 C PRO A 160 9.797 22.174 51.973 1.00 12.28 C ATOM 1002 O PRO A 160 9.021 23.044 52.368 1.00 10.29 O ATOM 1003 CB PRO A 160 11.996 23.301 51.442 1.00 2.31 C ATOM 1004 CG PRO A 160 12.527 23.952 50.206 1.00 7.77 C ATOM 1005 CD PRO A 160 11.256 24.445 49.562 1.00 8.53 C ATOM 0 HA PRO A 160 11.084 21.593 50.581 1.00 12.90 H new ATOM 0 HB2 PRO A 160 11.701 23.952 52.097 1.00 2.31 H new ATOM 0 HB3 PRO A 160 12.663 22.745 51.875 1.00 2.31 H new ATOM 0 HG2 PRO A 160 13.139 24.677 50.408 1.00 7.77 H new ATOM 0 HG3 PRO A 160 13.005 23.326 49.640 1.00 7.77 H new ATOM 0 HD2 PRO A 160 10.940 25.268 49.966 1.00 8.53 H new ATOM 0 HD3 PRO A 160 11.373 24.621 48.615 1.00 8.53 H new ATOM 1006 N SER A 161 9.798 20.931 52.446 1.00 10.44 N ATOM 1007 CA SER A 161 8.860 20.499 53.474 1.00 10.34 C ATOM 1008 C SER A 161 9.250 20.985 54.864 1.00 11.65 C ATOM 1009 O SER A 161 10.420 21.275 55.126 1.00 8.51 O ATOM 1010 CB SER A 161 8.790 18.967 53.517 1.00 2.85 C ATOM 1011 OG SER A 161 8.437 18.417 52.264 1.00 12.97 O ATOM 0 H SER A 161 10.340 20.318 52.181 1.00 10.44 H new ATOM 0 HA SER A 161 8.002 20.884 53.238 1.00 10.34 H new ATOM 0 HB2 SER A 161 9.649 18.613 53.794 1.00 2.85 H new ATOM 0 HB3 SER A 161 8.141 18.692 54.184 1.00 2.85 H new ATOM 0 HG SER A 161 9.096 18.007 51.942 1.00 12.97 H new ATOM 1012 N GLU A 162 8.245 21.115 55.726 1.00 8.43 N ATOM 1013 CA GLU A 162 8.443 21.484 57.121 1.00 12.41 C ATOM 1014 C GLU A 162 8.085 20.208 57.875 1.00 13.25 C ATOM 1015 O GLU A 162 7.336 19.373 57.361 1.00 14.37 O ATOM 1016 CB GLU A 162 7.543 22.641 57.551 1.00 14.65 C ATOM 1017 CG GLU A 162 8.094 24.011 57.164 1.00 37.37 C ATOM 1018 CD GLU A 162 7.419 25.169 57.893 1.00 47.46 C ATOM 1019 OE1 GLU A 162 6.332 24.975 58.485 1.00 48.70 O ATOM 1020 OE2 GLU A 162 7.989 26.281 57.870 1.00 51.69 O ATOM 0 H GLU A 162 7.421 20.990 55.513 1.00 8.43 H new ATOM 0 HA GLU A 162 9.345 21.797 57.292 1.00 12.41 H new ATOM 0 HB2 GLU A 162 6.667 22.527 57.151 1.00 14.65 H new ATOM 0 HB3 GLU A 162 7.422 22.608 58.513 1.00 14.65 H new ATOM 0 HG2 GLU A 162 9.046 24.033 57.350 1.00 37.37 H new ATOM 0 HG3 GLU A 162 7.989 24.135 56.208 1.00 37.37 H new ATOM 1021 N TYR A 163 8.595 20.060 59.091 1.00 10.00 N ATOM 1022 CA TYR A 163 8.362 18.837 59.842 1.00 6.16 C ATOM 1023 C TYR A 163 7.724 18.995 61.216 1.00 7.38 C ATOM 1024 O TYR A 163 7.763 20.064 61.824 1.00 9.10 O ATOM 1025 CB TYR A 163 9.687 18.079 59.977 1.00 3.55 C ATOM 1026 CG TYR A 163 10.469 17.980 58.681 1.00 3.23 C ATOM 1027 CD1 TYR A 163 10.242 16.934 57.788 1.00 2.00 C ATOM 1028 CD2 TYR A 163 11.420 18.946 58.337 1.00 3.92 C ATOM 1029 CE1 TYR A 163 10.935 16.846 56.587 1.00 2.00 C ATOM 1030 CE2 TYR A 163 12.122 18.867 57.130 1.00 2.00 C ATOM 1031 CZ TYR A 163 11.871 17.811 56.262 1.00 4.67 C ATOM 1032 OH TYR A 163 12.556 17.705 55.071 1.00 10.96 O ATOM 0 H TYR A 163 9.074 20.649 59.495 1.00 10.00 H new ATOM 0 HA TYR A 163 7.702 18.347 59.326 1.00 6.16 H new ATOM 0 HB2 TYR A 163 10.236 18.520 60.644 1.00 3.55 H new ATOM 0 HB3 TYR A 163 9.506 17.184 60.305 1.00 3.55 H new ATOM 0 HD1 TYR A 163 9.614 16.282 58.000 1.00 2.00 H new ATOM 0 HD2 TYR A 163 11.588 19.651 58.919 1.00 3.92 H new ATOM 0 HE1 TYR A 163 10.770 16.141 56.004 1.00 2.00 H new ATOM 0 HE2 TYR A 163 12.751 19.515 56.910 1.00 2.00 H new ATOM 0 HH TYR A 163 12.073 17.318 54.503 1.00 10.96 H new ATOM 1033 N SER A 164 7.143 17.899 61.692 1.00 7.40 N ATOM 1034 CA SER A 164 6.499 17.840 62.999 1.00 9.11 C ATOM 1035 C SER A 164 6.746 16.449 63.579 1.00 6.58 C ATOM 1036 O SER A 164 6.850 15.475 62.832 1.00 7.56 O ATOM 1037 CB SER A 164 5.003 18.138 62.879 1.00 10.44 C ATOM 1038 OG SER A 164 4.386 17.304 61.919 1.00 36.03 O ATOM 0 H SER A 164 7.111 17.157 61.258 1.00 7.40 H new ATOM 0 HA SER A 164 6.871 18.512 63.591 1.00 9.11 H new ATOM 0 HB2 SER A 164 4.576 18.012 63.741 1.00 10.44 H new ATOM 0 HB3 SER A 164 4.875 19.067 62.632 1.00 10.44 H new ATOM 0 HG SER A 164 4.396 17.684 61.170 1.00 36.03 H new ATOM 1039 N TRP A 165 6.853 16.362 64.904 1.00 8.92 N ATOM 1040 CA TRP A 165 7.134 15.089 65.574 1.00 9.80 C ATOM 1041 C TRP A 165 6.041 14.508 66.466 1.00 9.99 C ATOM 1042 O TRP A 165 5.156 15.219 66.947 1.00 7.47 O ATOM 1043 CB TRP A 165 8.420 15.200 66.390 1.00 8.29 C ATOM 1044 CG TRP A 165 9.662 15.268 65.564 1.00 5.32 C ATOM 1045 CD1 TRP A 165 10.230 16.385 65.022 1.00 2.00 C ATOM 1046 CD2 TRP A 165 10.524 14.174 65.230 1.00 3.91 C ATOM 1047 NE1 TRP A 165 11.403 16.054 64.378 1.00 8.40 N ATOM 1048 CE2 TRP A 165 11.605 14.703 64.490 1.00 4.15 C ATOM 1049 CE3 TRP A 165 10.488 12.796 65.487 1.00 3.59 C ATOM 1050 CZ2 TRP A 165 12.642 13.903 64.005 1.00 5.49 C ATOM 1051 CZ3 TRP A 165 11.523 11.999 65.005 1.00 10.53 C ATOM 1052 CH2 TRP A 165 12.584 12.557 64.273 1.00 5.53 C ATOM 0 H TRP A 165 6.766 17.031 65.437 1.00 8.92 H new ATOM 0 HA TRP A 165 7.208 14.464 64.836 1.00 9.80 H new ATOM 0 HB2 TRP A 165 8.370 15.992 66.948 1.00 8.29 H new ATOM 0 HB3 TRP A 165 8.481 14.437 66.986 1.00 8.29 H new ATOM 0 HD1 TRP A 165 9.877 17.244 65.079 1.00 2.00 H new ATOM 0 HE1 TRP A 165 11.923 16.605 63.972 1.00 8.40 H new ATOM 0 HE3 TRP A 165 9.787 12.422 65.970 1.00 3.59 H new ATOM 0 HZ2 TRP A 165 13.346 14.268 63.519 1.00 5.49 H new ATOM 0 HZ3 TRP A 165 11.512 11.084 65.170 1.00 10.53 H new ATOM 0 HH2 TRP A 165 13.263 12.002 63.963 1.00 5.53 H new ATOM 1053 N PHE A 166 6.151 13.202 66.708 1.00 10.77 N ATOM 1054 CA PHE A 166 5.204 12.468 67.541 1.00 10.96 C ATOM 1055 C PHE A 166 5.943 11.515 68.469 1.00 11.21 C ATOM 1056 O PHE A 166 6.962 10.931 68.094 1.00 15.14 O ATOM 1057 CB PHE A 166 4.234 11.649 66.677 1.00 18.21 C ATOM 1058 CG PHE A 166 3.482 12.459 65.664 1.00 26.87 C ATOM 1059 CD1 PHE A 166 4.049 12.744 64.426 1.00 37.67 C ATOM 1060 CD2 PHE A 166 2.214 12.943 65.946 1.00 32.23 C ATOM 1061 CE1 PHE A 166 3.362 13.502 63.485 1.00 47.13 C ATOM 1062 CE2 PHE A 166 1.523 13.700 65.012 1.00 45.39 C ATOM 1063 CZ PHE A 166 2.096 13.981 63.779 1.00 45.40 C ATOM 0 H PHE A 166 6.784 12.714 66.390 1.00 10.77 H new ATOM 0 HA PHE A 166 4.706 13.119 68.060 1.00 10.96 H new ATOM 0 HB2 PHE A 166 4.733 10.956 66.217 1.00 18.21 H new ATOM 0 HB3 PHE A 166 3.597 11.203 67.257 1.00 18.21 H new ATOM 0 HD1 PHE A 166 4.899 12.423 64.225 1.00 37.67 H new ATOM 0 HD2 PHE A 166 1.823 12.758 66.769 1.00 32.23 H new ATOM 0 HE1 PHE A 166 3.751 13.687 62.661 1.00 47.13 H new ATOM 0 HE2 PHE A 166 0.673 14.020 65.212 1.00 45.39 H new ATOM 0 HZ PHE A 166 1.632 14.489 63.153 1.00 45.40 H new ATOM 1064 N LYS A 167 5.419 11.364 69.681 1.00 10.76 N ATOM 1065 CA LYS A 167 5.992 10.469 70.679 1.00 6.50 C ATOM 1066 C LYS A 167 4.856 9.588 71.196 1.00 8.11 C ATOM 1067 O LYS A 167 3.875 10.087 71.737 1.00 5.87 O ATOM 1068 CB LYS A 167 6.606 11.274 71.824 1.00 5.08 C ATOM 1069 CG LYS A 167 7.175 10.424 72.951 1.00 11.48 C ATOM 1070 CD LYS A 167 7.620 11.292 74.110 1.00 9.28 C ATOM 1071 CE LYS A 167 8.151 10.468 75.265 1.00 13.11 C ATOM 1072 NZ LYS A 167 8.520 11.353 76.399 1.00 20.11 N ATOM 0 H LYS A 167 4.716 11.781 69.949 1.00 10.76 H new ATOM 0 HA LYS A 167 6.698 9.928 70.292 1.00 6.50 H new ATOM 0 HB2 LYS A 167 7.312 11.836 71.468 1.00 5.08 H new ATOM 0 HB3 LYS A 167 5.929 11.866 72.189 1.00 5.08 H new ATOM 0 HG2 LYS A 167 6.505 9.791 73.254 1.00 11.48 H new ATOM 0 HG3 LYS A 167 7.926 9.906 72.623 1.00 11.48 H new ATOM 0 HD2 LYS A 167 8.308 11.905 73.808 1.00 9.28 H new ATOM 0 HD3 LYS A 167 6.873 11.831 74.415 1.00 9.28 H new ATOM 0 HE2 LYS A 167 7.480 9.828 75.550 1.00 13.11 H new ATOM 0 HE3 LYS A 167 8.925 9.958 74.979 1.00 13.11 H new ATOM 0 HZ1 LYS A 167 8.911 10.871 77.037 1.00 20.11 H new ATOM 0 HZ2 LYS A 167 9.084 11.981 76.115 1.00 20.11 H new ATOM 0 HZ3 LYS A 167 7.787 11.739 76.726 1.00 20.11 H new ATOM 1073 N ASP A 168 4.981 8.280 70.993 1.00 14.15 N ATOM 1074 CA ASP A 168 3.960 7.321 71.417 1.00 15.81 C ATOM 1075 C ASP A 168 2.565 7.736 70.930 1.00 17.64 C ATOM 1076 O ASP A 168 1.572 7.588 71.646 1.00 22.26 O ATOM 1077 CB ASP A 168 3.977 7.145 72.941 1.00 11.71 C ATOM 1078 CG ASP A 168 5.337 6.691 73.469 1.00 19.89 C ATOM 1079 OD1 ASP A 168 5.963 5.791 72.865 1.00 9.69 O ATOM 1080 OD2 ASP A 168 5.779 7.237 74.501 1.00 23.39 O ATOM 0 H ASP A 168 5.660 7.921 70.605 1.00 14.15 H new ATOM 0 HA ASP A 168 4.171 6.466 71.010 1.00 15.81 H new ATOM 0 HB2 ASP A 168 3.735 7.985 73.362 1.00 11.71 H new ATOM 0 HB3 ASP A 168 3.303 6.496 73.195 1.00 11.71 H new ATOM 1081 N GLY A 169 2.514 8.286 69.717 1.00 18.28 N ATOM 1082 CA GLY A 169 1.257 8.709 69.119 1.00 17.10 C ATOM 1083 C GLY A 169 0.809 10.129 69.427 1.00 17.38 C ATOM 1084 O GLY A 169 -0.142 10.626 68.825 1.00 17.17 O ATOM 0 H GLY A 169 3.205 8.422 69.223 1.00 18.28 H new ATOM 0 HA2 GLY A 169 1.331 8.615 68.156 1.00 17.10 H new ATOM 0 HA3 GLY A 169 0.561 8.100 69.411 1.00 17.10 H new ATOM 1085 N ILE A 170 1.486 10.781 70.365 1.00 15.33 N ATOM 1086 CA ILE A 170 1.145 12.141 70.765 1.00 14.05 C ATOM 1087 C ILE A 170 1.897 13.192 69.950 1.00 12.72 C ATOM 1088 O ILE A 170 3.118 13.128 69.820 1.00 14.94 O ATOM 1089 CB ILE A 170 1.486 12.375 72.262 1.00 19.02 C ATOM 1090 CG1 ILE A 170 0.810 11.317 73.138 1.00 16.89 C ATOM 1091 CG2 ILE A 170 1.070 13.779 72.695 1.00 18.38 C ATOM 1092 CD1 ILE A 170 -0.694 11.391 73.147 1.00 17.21 C ATOM 0 H ILE A 170 2.156 10.447 70.788 1.00 15.33 H new ATOM 0 HA ILE A 170 0.193 12.236 70.608 1.00 14.05 H new ATOM 0 HB ILE A 170 2.446 12.295 72.373 1.00 19.02 H new ATOM 0 HG12 ILE A 170 1.078 10.437 72.830 1.00 16.89 H new ATOM 0 HG13 ILE A 170 1.134 11.410 74.048 1.00 16.89 H new ATOM 0 HG21 ILE A 170 1.290 13.908 73.631 1.00 18.38 H new ATOM 0 HG22 ILE A 170 1.541 14.436 72.159 1.00 18.38 H new ATOM 0 HG23 ILE A 170 0.114 13.886 72.570 1.00 18.38 H new ATOM 0 HD11 ILE A 170 -1.049 10.694 73.720 1.00 17.21 H new ATOM 0 HD12 ILE A 170 -0.974 12.258 73.481 1.00 17.21 H new ATOM 0 HD13 ILE A 170 -1.030 11.270 72.245 1.00 17.21 H new ATOM 1093 N SER A 171 1.164 14.164 69.419 1.00 12.18 N ATOM 1094 CA SER A 171 1.764 15.254 68.660 1.00 15.87 C ATOM 1095 C SER A 171 2.471 16.150 69.681 1.00 18.28 C ATOM 1096 O SER A 171 1.825 16.753 70.539 1.00 20.96 O ATOM 1097 CB SER A 171 0.683 16.046 67.928 1.00 13.90 C ATOM 1098 OG SER A 171 1.257 17.030 67.089 1.00 39.40 O ATOM 0 H SER A 171 0.308 14.210 69.488 1.00 12.18 H new ATOM 0 HA SER A 171 2.384 14.919 67.993 1.00 15.87 H new ATOM 0 HB2 SER A 171 0.138 15.443 67.399 1.00 13.90 H new ATOM 0 HB3 SER A 171 0.094 16.469 68.573 1.00 13.90 H new ATOM 0 HG SER A 171 1.319 17.755 67.509 1.00 39.40 H new ATOM 1099 N MET A 172 3.796 16.232 69.577 1.00 19.27 N ATOM 1100 CA MET A 172 4.610 17.016 70.500 1.00 19.51 C ATOM 1101 C MET A 172 4.339 18.510 70.570 1.00 22.98 C ATOM 1102 O MET A 172 4.626 19.143 71.582 1.00 25.55 O ATOM 1103 CB MET A 172 6.085 16.738 70.253 1.00 11.62 C ATOM 1104 CG MET A 172 6.429 15.291 70.530 1.00 17.09 C ATOM 1105 SD MET A 172 8.167 14.939 70.433 1.00 23.38 S ATOM 1106 CE MET A 172 8.707 15.523 72.035 1.00 8.03 C ATOM 0 H MET A 172 4.249 15.832 68.965 1.00 19.27 H new ATOM 0 HA MET A 172 4.336 16.708 71.378 1.00 19.51 H new ATOM 0 HB2 MET A 172 6.307 16.955 69.334 1.00 11.62 H new ATOM 0 HB3 MET A 172 6.623 17.314 70.818 1.00 11.62 H new ATOM 0 HG2 MET A 172 6.108 15.054 71.414 1.00 17.09 H new ATOM 0 HG3 MET A 172 5.957 14.728 69.897 1.00 17.09 H new ATOM 0 HE1 MET A 172 9.550 15.993 71.941 1.00 8.03 H new ATOM 0 HE2 MET A 172 8.041 16.125 72.401 1.00 8.03 H new ATOM 0 HE3 MET A 172 8.823 14.768 72.633 1.00 8.03 H new ATOM 1107 N LEU A 173 3.781 19.068 69.505 1.00 27.95 N ATOM 1108 CA LEU A 173 3.442 20.483 69.466 1.00 35.00 C ATOM 1109 C LEU A 173 2.069 20.647 68.821 1.00 44.41 C ATOM 1110 O LEU A 173 1.806 20.075 67.761 1.00 48.79 O ATOM 1111 CB LEU A 173 4.485 21.271 68.673 1.00 30.53 C ATOM 1112 CG LEU A 173 5.872 21.439 69.297 1.00 37.27 C ATOM 1113 CD1 LEU A 173 6.772 22.212 68.341 1.00 27.00 C ATOM 1114 CD2 LEU A 173 5.763 22.162 70.632 1.00 23.97 C ATOM 0 H LEU A 173 3.588 18.638 68.785 1.00 27.95 H new ATOM 0 HA LEU A 173 3.427 20.829 70.372 1.00 35.00 H new ATOM 0 HB2 LEU A 173 4.595 20.838 67.812 1.00 30.53 H new ATOM 0 HB3 LEU A 173 4.125 22.155 68.502 1.00 30.53 H new ATOM 0 HG LEU A 173 6.260 20.564 69.456 1.00 37.27 H new ATOM 0 HD11 LEU A 173 7.651 22.318 68.738 1.00 27.00 H new ATOM 0 HD12 LEU A 173 6.851 21.725 67.506 1.00 27.00 H new ATOM 0 HD13 LEU A 173 6.388 23.086 68.170 1.00 27.00 H new ATOM 0 HD21 LEU A 173 6.647 22.263 71.019 1.00 23.97 H new ATOM 0 HD22 LEU A 173 5.368 23.037 70.495 1.00 23.97 H new ATOM 0 HD23 LEU A 173 5.204 21.647 71.235 1.00 23.97 H new ATOM 1115 N THR A 174 1.191 21.406 69.472 1.00 50.16 N ATOM 1116 CA THR A 174 -0.155 21.644 68.948 1.00 58.05 C ATOM 1117 C THR A 174 -0.606 23.075 69.228 1.00 59.24 C ATOM 1118 O THR A 174 0.140 24.028 69.000 1.00 62.37 O ATOM 1119 CB THR A 174 -1.190 20.668 69.560 1.00 63.96 C ATOM 1120 OG1 THR A 174 -0.783 19.315 69.314 1.00 75.13 O ATOM 1121 CG2 THR A 174 -2.568 20.890 68.942 1.00 70.37 C ATOM 0 H THR A 174 1.354 21.794 70.222 1.00 50.16 H new ATOM 0 HA THR A 174 -0.110 21.496 67.990 1.00 58.05 H new ATOM 0 HB THR A 174 -1.239 20.833 70.515 1.00 63.96 H new ATOM 0 HG1 THR A 174 -1.345 18.788 69.648 1.00 75.13 H new ATOM 0 HG21 THR A 174 -3.203 20.272 69.336 1.00 70.37 H new ATOM 0 HG22 THR A 174 -2.856 21.801 69.112 1.00 70.37 H new ATOM 0 HG23 THR A 174 -2.522 20.739 67.985 1.00 70.37 H new ATOM 1122 N THR A 180 2.237 24.963 71.289 1.00 52.12 N ATOM 1123 CA THR A 180 1.864 24.347 72.560 1.00 56.80 C ATOM 1124 C THR A 180 2.487 22.956 72.695 1.00 54.13 C ATOM 1125 O THR A 180 2.278 22.082 71.851 1.00 52.99 O ATOM 1126 CB THR A 180 0.321 24.240 72.713 1.00 62.11 C ATOM 1127 OG1 THR A 180 -0.267 25.544 72.601 1.00 67.45 O ATOM 1128 CG2 THR A 180 -0.049 23.647 74.072 1.00 60.73 C ATOM 0 HA THR A 180 2.204 24.920 73.264 1.00 56.80 H new ATOM 0 HB THR A 180 -0.014 23.660 72.012 1.00 62.11 H new ATOM 0 HG1 THR A 180 0.139 25.985 72.013 1.00 67.45 H new ATOM 0 HG21 THR A 180 -1.014 23.589 74.148 1.00 60.73 H new ATOM 0 HG22 THR A 180 0.336 22.760 74.154 1.00 60.73 H new ATOM 0 HG23 THR A 180 0.297 24.215 74.778 1.00 60.73 H new ATOM 1129 N ARG A 181 3.238 22.761 73.774 1.00 51.59 N ATOM 1130 CA ARG A 181 3.914 21.495 74.044 1.00 51.06 C ATOM 1131 C ARG A 181 3.007 20.393 74.588 1.00 50.43 C ATOM 1132 O ARG A 181 2.067 20.661 75.340 1.00 51.44 O ATOM 1133 CB ARG A 181 5.071 21.729 75.013 1.00 46.98 C ATOM 1134 CG ARG A 181 6.139 22.635 74.451 1.00 51.02 C ATOM 1135 CD ARG A 181 7.191 22.982 75.480 1.00 51.26 C ATOM 1136 NE ARG A 181 8.299 23.691 74.852 1.00 60.82 N ATOM 1137 CZ ARG A 181 9.408 23.104 74.416 1.00 65.27 C ATOM 1138 NH1 ARG A 181 9.583 21.799 74.586 1.00 60.27 N ATOM 1139 NH2 ARG A 181 10.361 23.828 73.844 1.00 63.73 N ATOM 0 H ARG A 181 3.371 23.363 74.374 1.00 51.59 H new ATOM 0 HA ARG A 181 4.233 21.177 73.185 1.00 51.06 H new ATOM 0 HB2 ARG A 181 4.726 22.115 75.833 1.00 46.98 H new ATOM 0 HB3 ARG A 181 5.468 20.875 75.246 1.00 46.98 H new ATOM 0 HG2 ARG A 181 6.561 22.203 73.692 1.00 51.02 H new ATOM 0 HG3 ARG A 181 5.729 23.450 74.122 1.00 51.02 H new ATOM 0 HD2 ARG A 181 6.801 23.532 76.178 1.00 51.26 H new ATOM 0 HD3 ARG A 181 7.516 22.173 75.905 1.00 51.26 H new ATOM 0 HE ARG A 181 8.230 24.543 74.758 1.00 60.82 H new ATOM 0 HH11 ARG A 181 8.978 21.332 74.979 1.00 60.27 H new ATOM 0 HH12 ARG A 181 10.302 21.421 74.303 1.00 60.27 H new ATOM 0 HH21 ARG A 181 10.261 24.678 73.755 1.00 63.73 H new ATOM 0 HH22 ARG A 181 11.079 23.448 73.562 1.00 63.73 H new ATOM 1140 N ALA A 182 3.308 19.152 74.210 1.00 49.07 N ATOM 1141 CA ALA A 182 2.545 17.993 74.667 1.00 50.05 C ATOM 1142 C ALA A 182 2.807 17.745 76.155 1.00 50.67 C ATOM 1143 O ALA A 182 1.964 17.186 76.863 1.00 47.76 O ATOM 1144 CB ALA A 182 2.919 16.764 73.854 1.00 49.39 C ATOM 0 H ALA A 182 3.959 18.959 73.682 1.00 49.07 H new ATOM 0 HA ALA A 182 1.600 18.171 74.542 1.00 50.05 H new ATOM 0 HB1 ALA A 182 2.407 16.001 74.166 1.00 49.39 H new ATOM 0 HB2 ALA A 182 2.723 16.923 72.917 1.00 49.39 H new ATOM 0 HB3 ALA A 182 3.866 16.582 73.959 1.00 49.39 H new ATOM 1145 N PHE A 183 3.990 18.162 76.609 1.00 51.78 N ATOM 1146 CA PHE A 183 4.416 18.025 78.003 1.00 51.29 C ATOM 1147 C PHE A 183 5.620 18.919 78.316 1.00 50.85 C ATOM 1148 O PHE A 183 6.513 19.095 77.484 1.00 47.74 O ATOM 1149 CB PHE A 183 4.723 16.558 78.356 1.00 49.89 C ATOM 1150 CG PHE A 183 5.377 15.776 77.245 1.00 52.67 C ATOM 1151 CD1 PHE A 183 6.668 16.080 76.818 1.00 54.70 C ATOM 1152 CD2 PHE A 183 4.694 14.732 76.621 1.00 51.71 C ATOM 1153 CE1 PHE A 183 7.268 15.359 75.788 1.00 52.07 C ATOM 1154 CE2 PHE A 183 5.284 14.006 75.592 1.00 49.58 C ATOM 1155 CZ PHE A 183 6.574 14.322 75.174 1.00 49.63 C ATOM 0 H PHE A 183 4.577 18.539 76.107 1.00 51.78 H new ATOM 0 HA PHE A 183 3.675 18.319 78.556 1.00 51.29 H new ATOM 0 HB2 PHE A 183 5.301 16.538 79.135 1.00 49.89 H new ATOM 0 HB3 PHE A 183 3.896 16.116 78.605 1.00 49.89 H new ATOM 0 HD1 PHE A 183 7.135 16.773 77.226 1.00 54.70 H new ATOM 0 HD2 PHE A 183 3.832 14.518 76.897 1.00 51.71 H new ATOM 0 HE1 PHE A 183 8.130 15.571 75.512 1.00 52.07 H new ATOM 0 HE2 PHE A 183 4.818 13.312 75.184 1.00 49.58 H new ATOM 0 HZ PHE A 183 6.971 13.840 74.485 1.00 49.63 H new ATOM 1156 N MET A 184 5.617 19.500 79.512 1.00 52.35 N ATOM 1157 CA MET A 184 6.694 20.385 79.955 1.00 52.32 C ATOM 1158 C MET A 184 7.796 19.610 80.675 1.00 51.05 C ATOM 1159 O MET A 184 8.864 20.150 80.962 1.00 49.07 O ATOM 1160 CB MET A 184 6.136 21.465 80.889 1.00 55.27 C ATOM 1161 CG MET A 184 5.062 22.353 80.271 1.00 60.99 C ATOM 1162 SD MET A 184 5.618 23.205 78.773 1.00 72.22 S ATOM 1163 CE MET A 184 6.978 24.219 79.423 1.00 63.49 C ATOM 0 H MET A 184 4.990 19.393 80.091 1.00 52.35 H new ATOM 0 HA MET A 184 7.078 20.799 79.166 1.00 52.32 H new ATOM 0 HB2 MET A 184 5.768 21.035 81.677 1.00 55.27 H new ATOM 0 HB3 MET A 184 6.869 22.026 81.188 1.00 55.27 H new ATOM 0 HG2 MET A 184 4.285 21.812 80.059 1.00 60.99 H new ATOM 0 HG3 MET A 184 4.779 23.011 80.925 1.00 60.99 H new ATOM 0 HE1 MET A 184 7.212 24.901 78.774 1.00 63.49 H new ATOM 0 HE2 MET A 184 6.699 24.642 80.250 1.00 63.49 H new ATOM 0 HE3 MET A 184 7.749 23.656 79.592 1.00 63.49 H new ATOM 1164 N ASN A 185 7.529 18.332 80.932 1.00 51.98 N ATOM 1165 CA ASN A 185 8.447 17.436 81.633 1.00 50.80 C ATOM 1166 C ASN A 185 9.742 17.102 80.857 1.00 47.74 C ATOM 1167 O ASN A 185 10.577 16.323 81.330 1.00 45.87 O ATOM 1168 CB ASN A 185 7.683 16.154 82.002 1.00 51.57 C ATOM 1169 CG ASN A 185 8.368 15.347 83.090 1.00 63.90 C ATOM 1170 OD1 ASN A 185 8.427 14.120 83.017 1.00 68.48 O ATOM 1171 ND2 ASN A 185 8.876 16.030 84.113 1.00 66.33 N ATOM 0 H ASN A 185 6.793 17.953 80.699 1.00 51.98 H new ATOM 0 HA ASN A 185 8.754 17.903 82.426 1.00 50.80 H new ATOM 0 HB2 ASN A 185 6.789 16.390 82.295 1.00 51.57 H new ATOM 0 HB3 ASN A 185 7.586 15.602 81.210 1.00 51.57 H new ATOM 0 HD21 ASN A 185 9.264 15.614 84.757 1.00 66.33 H new ATOM 0 HD22 ASN A 185 8.816 16.888 84.130 1.00 66.33 H new ATOM 1172 N SER A 186 9.919 17.708 79.683 1.00 43.62 N ATOM 1173 CA SER A 186 11.105 17.462 78.863 1.00 38.25 C ATOM 1174 C SER A 186 11.795 18.740 78.383 1.00 35.98 C ATOM 1175 O SER A 186 11.155 19.775 78.172 1.00 34.29 O ATOM 1176 CB SER A 186 10.752 16.582 77.662 1.00 33.85 C ATOM 1177 OG SER A 186 11.849 16.469 76.775 1.00 22.71 O ATOM 0 H SER A 186 9.361 18.267 79.343 1.00 43.62 H new ATOM 0 HA SER A 186 11.737 17.003 79.439 1.00 38.25 H new ATOM 0 HB2 SER A 186 10.488 15.701 77.969 1.00 33.85 H new ATOM 0 HB3 SER A 186 9.991 16.959 77.194 1.00 33.85 H new ATOM 0 HG SER A 186 11.979 15.660 76.592 1.00 22.71 H new ATOM 1178 N SER A 187 13.109 18.643 78.205 1.00 34.45 N ATOM 1179 CA SER A 187 13.931 19.761 77.755 1.00 34.48 C ATOM 1180 C SER A 187 14.203 19.614 76.262 1.00 31.23 C ATOM 1181 O SER A 187 15.360 19.521 75.833 1.00 28.87 O ATOM 1182 CB SER A 187 15.251 19.784 78.533 1.00 30.91 C ATOM 1183 OG SER A 187 16.064 20.871 78.128 1.00 50.52 O ATOM 0 H SER A 187 13.552 17.919 78.343 1.00 34.45 H new ATOM 0 HA SER A 187 13.462 20.595 77.915 1.00 34.48 H new ATOM 0 HB2 SER A 187 15.068 19.850 79.483 1.00 30.91 H new ATOM 0 HB3 SER A 187 15.727 18.951 78.393 1.00 30.91 H new ATOM 0 HG SER A 187 16.811 20.583 77.874 1.00 50.52 H new ATOM 1184 N PHE A 188 13.130 19.597 75.476 1.00 26.04 N ATOM 1185 CA PHE A 188 13.259 19.435 74.039 1.00 21.91 C ATOM 1186 C PHE A 188 13.026 20.682 73.207 1.00 21.65 C ATOM 1187 O PHE A 188 12.455 21.669 73.670 1.00 21.16 O ATOM 1188 CB PHE A 188 12.373 18.290 73.544 1.00 18.65 C ATOM 1189 CG PHE A 188 10.909 18.626 73.460 1.00 18.59 C ATOM 1190 CD1 PHE A 188 10.075 18.445 74.558 1.00 20.15 C ATOM 1191 CD2 PHE A 188 10.352 19.063 72.260 1.00 15.97 C ATOM 1192 CE1 PHE A 188 8.705 18.688 74.464 1.00 26.46 C ATOM 1193 CE2 PHE A 188 8.985 19.309 72.153 1.00 16.83 C ATOM 1194 CZ PHE A 188 8.157 19.119 73.257 1.00 23.92 C ATOM 0 H PHE A 188 12.322 19.678 75.758 1.00 26.04 H new ATOM 0 HA PHE A 188 14.196 19.224 73.905 1.00 21.91 H new ATOM 0 HB2 PHE A 188 12.681 18.014 72.667 1.00 18.65 H new ATOM 0 HB3 PHE A 188 12.485 17.530 74.136 1.00 18.65 H new ATOM 0 HD1 PHE A 188 10.436 18.158 75.366 1.00 20.15 H new ATOM 0 HD2 PHE A 188 10.900 19.192 71.520 1.00 15.97 H new ATOM 0 HE1 PHE A 188 8.158 18.563 75.205 1.00 26.46 H new ATOM 0 HE2 PHE A 188 8.626 19.600 71.346 1.00 16.83 H new ATOM 0 HZ PHE A 188 7.243 19.279 73.189 1.00 23.92 H new ATOM 1195 N THR A 189 13.482 20.615 71.963 1.00 21.45 N ATOM 1196 CA THR A 189 13.347 21.710 71.017 1.00 18.60 C ATOM 1197 C THR A 189 13.133 21.096 69.650 1.00 16.68 C ATOM 1198 O THR A 189 13.688 20.039 69.344 1.00 18.33 O ATOM 1199 CB THR A 189 14.629 22.563 70.967 1.00 18.91 C ATOM 1200 OG1 THR A 189 14.966 22.992 72.289 1.00 32.55 O ATOM 1201 CG2 THR A 189 14.425 23.787 70.092 1.00 27.48 C ATOM 0 H THR A 189 13.882 19.925 71.642 1.00 21.45 H new ATOM 0 HA THR A 189 12.609 22.280 71.285 1.00 18.60 H new ATOM 0 HB THR A 189 15.344 22.023 70.595 1.00 18.91 H new ATOM 0 HG1 THR A 189 15.503 22.445 72.633 1.00 32.55 H new ATOM 0 HG21 THR A 189 15.241 24.311 70.073 1.00 27.48 H new ATOM 0 HG22 THR A 189 14.200 23.507 69.191 1.00 27.48 H new ATOM 0 HG23 THR A 189 13.704 24.326 70.453 1.00 27.48 H new ATOM 1202 N ILE A 190 12.309 21.745 68.839 1.00 15.41 N ATOM 1203 CA ILE A 190 12.040 21.268 67.494 1.00 13.37 C ATOM 1204 C ILE A 190 12.187 22.404 66.496 1.00 18.79 C ATOM 1205 O ILE A 190 11.654 23.500 66.697 1.00 20.22 O ATOM 1206 CB ILE A 190 10.628 20.658 67.370 1.00 12.40 C ATOM 1207 CG1 ILE A 190 10.545 19.364 68.183 1.00 5.85 C ATOM 1208 CG2 ILE A 190 10.297 20.382 65.903 1.00 8.20 C ATOM 1209 CD1 ILE A 190 9.166 18.743 68.225 1.00 14.85 C ATOM 0 H ILE A 190 11.894 22.468 69.051 1.00 15.41 H new ATOM 0 HA ILE A 190 12.687 20.572 67.301 1.00 13.37 H new ATOM 0 HB ILE A 190 9.981 21.291 67.719 1.00 12.40 H new ATOM 0 HG12 ILE A 190 11.167 18.720 67.810 1.00 5.85 H new ATOM 0 HG13 ILE A 190 10.834 19.546 69.091 1.00 5.85 H new ATOM 0 HG21 ILE A 190 9.408 19.999 65.838 1.00 8.20 H new ATOM 0 HG22 ILE A 190 10.328 21.212 65.402 1.00 8.20 H new ATOM 0 HG23 ILE A 190 10.944 19.759 65.537 1.00 8.20 H new ATOM 0 HD11 ILE A 190 9.192 17.931 68.755 1.00 14.85 H new ATOM 0 HD12 ILE A 190 8.541 19.369 68.623 1.00 14.85 H new ATOM 0 HD13 ILE A 190 8.879 18.530 67.323 1.00 14.85 H new ATOM 1210 N ASP A 191 12.964 22.140 65.450 1.00 18.58 N ATOM 1211 CA ASP A 191 13.206 23.091 64.375 1.00 16.98 C ATOM 1212 C ASP A 191 12.393 22.550 63.196 1.00 17.33 C ATOM 1213 O ASP A 191 12.758 21.539 62.596 1.00 17.85 O ATOM 1214 CB ASP A 191 14.699 23.112 64.039 1.00 11.66 C ATOM 1215 CG ASP A 191 15.066 24.164 63.002 1.00 18.87 C ATOM 1216 OD1 ASP A 191 14.245 24.480 62.113 1.00 20.89 O ATOM 1217 OD2 ASP A 191 16.205 24.669 63.069 1.00 32.42 O ATOM 0 H ASP A 191 13.371 21.390 65.345 1.00 18.58 H new ATOM 0 HA ASP A 191 12.952 23.999 64.604 1.00 16.98 H new ATOM 0 HB2 ASP A 191 15.205 23.276 64.850 1.00 11.66 H new ATOM 0 HB3 ASP A 191 14.963 22.238 63.712 1.00 11.66 H new ATOM 1218 N PRO A 192 11.275 23.214 62.859 1.00 17.44 N ATOM 1219 CA PRO A 192 10.389 22.811 61.758 1.00 15.49 C ATOM 1220 C PRO A 192 11.031 22.821 60.374 1.00 11.46 C ATOM 1221 O PRO A 192 10.642 22.043 59.503 1.00 15.85 O ATOM 1222 CB PRO A 192 9.249 23.834 61.840 1.00 8.12 C ATOM 1223 CG PRO A 192 9.253 24.247 63.273 1.00 22.18 C ATOM 1224 CD PRO A 192 10.729 24.392 63.551 1.00 14.93 C ATOM 0 HA PRO A 192 10.115 21.886 61.860 1.00 15.49 H new ATOM 0 HB2 PRO A 192 9.403 24.589 61.251 1.00 8.12 H new ATOM 0 HB3 PRO A 192 8.399 23.443 61.583 1.00 8.12 H new ATOM 0 HG2 PRO A 192 8.773 25.078 63.413 1.00 22.18 H new ATOM 0 HG3 PRO A 192 8.839 23.581 63.844 1.00 22.18 H new ATOM 0 HD2 PRO A 192 11.087 25.221 63.198 1.00 14.93 H new ATOM 0 HD3 PRO A 192 10.924 24.380 64.501 1.00 14.93 H new ATOM 1225 N LYS A 193 12.013 23.692 60.173 1.00 9.49 N ATOM 1226 CA LYS A 193 12.673 23.793 58.878 1.00 16.56 C ATOM 1227 C LYS A 193 13.733 22.729 58.606 1.00 16.85 C ATOM 1228 O LYS A 193 13.864 22.267 57.473 1.00 16.83 O ATOM 1229 CB LYS A 193 13.225 25.200 58.670 1.00 23.02 C ATOM 1230 CG LYS A 193 12.123 26.242 58.566 1.00 45.75 C ATOM 1231 CD LYS A 193 12.671 27.633 58.323 1.00 65.10 C ATOM 1232 CE LYS A 193 11.541 28.645 58.203 1.00 73.86 C ATOM 1233 NZ LYS A 193 12.058 30.030 58.022 1.00 75.26 N ATOM 0 H LYS A 193 12.311 24.232 60.772 1.00 9.49 H new ATOM 0 HA LYS A 193 11.982 23.615 58.221 1.00 16.56 H new ATOM 0 HB2 LYS A 193 13.813 25.427 59.407 1.00 23.02 H new ATOM 0 HB3 LYS A 193 13.762 25.218 57.862 1.00 23.02 H new ATOM 0 HG2 LYS A 193 11.521 26.003 57.844 1.00 45.75 H new ATOM 0 HG3 LYS A 193 11.600 26.240 59.383 1.00 45.75 H new ATOM 0 HD2 LYS A 193 13.260 27.885 59.051 1.00 65.10 H new ATOM 0 HD3 LYS A 193 13.203 27.638 57.512 1.00 65.10 H new ATOM 0 HE2 LYS A 193 10.975 28.410 57.451 1.00 73.86 H new ATOM 0 HE3 LYS A 193 10.987 28.608 58.998 1.00 73.86 H new ATOM 0 HZ1 LYS A 193 11.374 30.596 57.955 1.00 75.26 H new ATOM 0 HZ2 LYS A 193 12.560 30.253 58.722 1.00 75.26 H new ATOM 0 HZ3 LYS A 193 12.549 30.069 57.280 1.00 75.26 H new ATOM 1234 N SER A 194 14.489 22.340 59.629 1.00 13.49 N ATOM 1235 CA SER A 194 15.503 21.299 59.449 1.00 13.54 C ATOM 1236 C SER A 194 14.910 19.943 59.825 1.00 12.40 C ATOM 1237 O SER A 194 15.299 18.916 59.275 1.00 15.02 O ATOM 1238 CB SER A 194 16.755 21.578 60.293 1.00 9.06 C ATOM 1239 OG SER A 194 16.475 21.528 61.682 1.00 17.71 O ATOM 0 H SER A 194 14.434 22.660 60.426 1.00 13.49 H new ATOM 0 HA SER A 194 15.772 21.294 58.517 1.00 13.54 H new ATOM 0 HB2 SER A 194 17.442 20.928 60.078 1.00 9.06 H new ATOM 0 HB3 SER A 194 17.110 22.452 60.066 1.00 9.06 H new ATOM 0 HG SER A 194 17.003 20.992 62.055 1.00 17.71 H new ATOM 1240 N GLY A 195 13.946 19.962 60.743 1.00 10.19 N ATOM 1241 CA GLY A 195 13.303 18.742 61.196 1.00 12.47 C ATOM 1242 C GLY A 195 13.947 18.132 62.429 1.00 13.10 C ATOM 1243 O GLY A 195 13.549 17.055 62.875 1.00 15.06 O ATOM 0 H GLY A 195 13.651 20.679 61.116 1.00 10.19 H new ATOM 0 HA2 GLY A 195 12.371 18.929 61.387 1.00 12.47 H new ATOM 0 HA3 GLY A 195 13.320 18.091 60.477 1.00 12.47 H new ATOM 1244 N ASP A 196 14.935 18.822 62.991 1.00 11.58 N ATOM 1245 CA ASP A 196 15.637 18.331 64.171 1.00 11.67 C ATOM 1246 C ASP A 196 14.810 18.369 65.448 1.00 12.08 C ATOM 1247 O ASP A 196 14.142 19.359 65.739 1.00 16.05 O ATOM 1248 CB ASP A 196 16.924 19.132 64.417 1.00 12.63 C ATOM 1249 CG ASP A 196 17.971 18.932 63.335 1.00 18.16 C ATOM 1250 OD1 ASP A 196 17.927 17.918 62.606 1.00 23.17 O ATOM 1251 OD2 ASP A 196 18.858 19.801 63.226 1.00 13.78 O ATOM 0 H ASP A 196 15.215 19.582 62.702 1.00 11.58 H new ATOM 0 HA ASP A 196 15.833 17.402 63.971 1.00 11.67 H new ATOM 0 HB2 ASP A 196 16.705 20.075 64.476 1.00 12.63 H new ATOM 0 HB3 ASP A 196 17.299 18.874 65.273 1.00 12.63 H new ATOM 1252 N LEU A 197 14.838 17.261 66.182 1.00 10.56 N ATOM 1253 CA LEU A 197 14.172 17.144 67.471 1.00 9.94 C ATOM 1254 C LEU A 197 15.369 17.022 68.401 1.00 9.82 C ATOM 1255 O LEU A 197 16.103 16.037 68.349 1.00 14.54 O ATOM 1256 CB LEU A 197 13.307 15.884 67.541 1.00 12.50 C ATOM 1257 CG LEU A 197 12.774 15.472 68.921 1.00 14.72 C ATOM 1258 CD1 LEU A 197 12.148 16.658 69.655 1.00 2.90 C ATOM 1259 CD2 LEU A 197 11.774 14.332 68.760 1.00 2.00 C ATOM 0 H LEU A 197 15.251 16.546 65.940 1.00 10.56 H new ATOM 0 HA LEU A 197 13.568 17.876 67.674 1.00 9.94 H new ATOM 0 HB2 LEU A 197 12.547 16.008 66.951 1.00 12.50 H new ATOM 0 HB3 LEU A 197 13.825 15.144 67.186 1.00 12.50 H new ATOM 0 HG LEU A 197 13.517 15.165 69.463 1.00 14.72 H new ATOM 0 HD11 LEU A 197 11.821 16.367 70.521 1.00 2.90 H new ATOM 0 HD12 LEU A 197 12.815 17.351 69.778 1.00 2.90 H new ATOM 0 HD13 LEU A 197 11.410 17.009 69.133 1.00 2.90 H new ATOM 0 HD21 LEU A 197 11.437 14.071 69.631 1.00 2.00 H new ATOM 0 HD22 LEU A 197 11.036 14.625 68.203 1.00 2.00 H new ATOM 0 HD23 LEU A 197 12.212 13.574 68.343 1.00 2.00 H new ATOM 1260 N ILE A 198 15.585 18.039 69.223 1.00 9.14 N ATOM 1261 CA ILE A 198 16.735 18.060 70.116 1.00 11.40 C ATOM 1262 C ILE A 198 16.425 17.897 71.608 1.00 13.23 C ATOM 1263 O ILE A 198 15.615 18.635 72.170 1.00 12.21 O ATOM 1264 CB ILE A 198 17.533 19.377 69.915 1.00 8.66 C ATOM 1265 CG1 ILE A 198 17.815 19.602 68.425 1.00 11.78 C ATOM 1266 CG2 ILE A 198 18.838 19.331 70.683 1.00 6.43 C ATOM 1267 CD1 ILE A 198 18.487 20.931 68.112 1.00 7.74 C ATOM 0 H ILE A 198 15.076 18.730 69.280 1.00 9.14 H new ATOM 0 HA ILE A 198 17.250 17.277 69.867 1.00 11.40 H new ATOM 0 HB ILE A 198 16.998 20.113 70.252 1.00 8.66 H new ATOM 0 HG12 ILE A 198 18.378 18.882 68.100 1.00 11.78 H new ATOM 0 HG13 ILE A 198 16.979 19.551 67.936 1.00 11.78 H new ATOM 0 HG21 ILE A 198 19.323 20.160 70.547 1.00 6.43 H new ATOM 0 HG22 ILE A 198 18.653 19.216 71.628 1.00 6.43 H new ATOM 0 HG23 ILE A 198 19.374 18.587 70.366 1.00 6.43 H new ATOM 0 HD11 ILE A 198 18.633 21.003 67.156 1.00 7.74 H new ATOM 0 HD12 ILE A 198 17.918 21.659 68.407 1.00 7.74 H new ATOM 0 HD13 ILE A 198 19.339 20.980 68.573 1.00 7.74 H new ATOM 1268 N PHE A 199 17.064 16.909 72.230 1.00 11.79 N ATOM 1269 CA PHE A 199 16.923 16.658 73.665 1.00 11.98 C ATOM 1270 C PHE A 199 18.280 16.975 74.285 1.00 13.28 C ATOM 1271 O PHE A 199 19.282 16.321 73.975 1.00 12.71 O ATOM 1272 CB PHE A 199 16.583 15.192 73.952 1.00 11.89 C ATOM 1273 CG PHE A 199 15.222 14.777 73.493 1.00 10.58 C ATOM 1274 CD1 PHE A 199 14.081 15.285 74.107 1.00 14.91 C ATOM 1275 CD2 PHE A 199 15.076 13.863 72.458 1.00 8.79 C ATOM 1276 CE1 PHE A 199 12.810 14.884 73.695 1.00 10.87 C ATOM 1277 CE2 PHE A 199 13.814 13.457 72.039 1.00 12.09 C ATOM 1278 CZ PHE A 199 12.680 13.969 72.659 1.00 11.37 C ATOM 0 H PHE A 199 17.594 16.362 71.831 1.00 11.79 H new ATOM 0 HA PHE A 199 16.205 17.200 74.028 1.00 11.98 H new ATOM 0 HB2 PHE A 199 17.244 14.627 73.522 1.00 11.89 H new ATOM 0 HB3 PHE A 199 16.653 15.035 74.907 1.00 11.89 H new ATOM 0 HD1 PHE A 199 14.167 15.899 74.800 1.00 14.91 H new ATOM 0 HD2 PHE A 199 15.832 13.518 72.040 1.00 8.79 H new ATOM 0 HE1 PHE A 199 12.053 15.228 74.112 1.00 10.87 H new ATOM 0 HE2 PHE A 199 13.729 12.844 71.345 1.00 12.09 H new ATOM 0 HZ PHE A 199 11.835 13.699 72.380 1.00 11.37 H new ATOM 1279 N ASP A 200 18.317 17.996 75.134 1.00 16.14 N ATOM 1280 CA ASP A 200 19.555 18.402 75.793 1.00 14.37 C ATOM 1281 C ASP A 200 19.236 19.065 77.129 1.00 16.47 C ATOM 1282 O ASP A 200 18.869 20.242 77.178 1.00 19.75 O ATOM 1283 CB ASP A 200 20.342 19.370 74.900 1.00 13.43 C ATOM 1284 CG ASP A 200 21.795 19.541 75.340 1.00 23.89 C ATOM 1285 OD1 ASP A 200 22.186 19.046 76.427 1.00 24.30 O ATOM 1286 OD2 ASP A 200 22.558 20.171 74.579 1.00 27.34 O ATOM 0 H ASP A 200 17.631 18.471 75.344 1.00 16.14 H new ATOM 0 HA ASP A 200 20.099 17.615 75.950 1.00 14.37 H new ATOM 0 HB2 ASP A 200 20.322 19.047 73.986 1.00 13.43 H new ATOM 0 HB3 ASP A 200 19.904 20.235 74.905 1.00 13.43 H new ATOM 1287 N PRO A 201 19.395 18.320 78.235 1.00 13.68 N ATOM 1288 CA PRO A 201 19.851 16.926 78.246 1.00 14.22 C ATOM 1289 C PRO A 201 18.688 15.944 78.092 1.00 16.99 C ATOM 1290 O PRO A 201 17.526 16.318 78.278 1.00 16.55 O ATOM 1291 CB PRO A 201 20.476 16.805 79.631 1.00 5.85 C ATOM 1292 CG PRO A 201 19.516 17.594 80.468 1.00 5.32 C ATOM 1293 CD PRO A 201 19.251 18.833 79.613 1.00 11.66 C ATOM 0 HA PRO A 201 20.454 16.717 77.516 1.00 14.22 H new ATOM 0 HB2 PRO A 201 20.540 15.882 79.922 1.00 5.85 H new ATOM 0 HB3 PRO A 201 21.373 17.174 79.659 1.00 5.85 H new ATOM 0 HG2 PRO A 201 18.701 17.098 80.644 1.00 5.32 H new ATOM 0 HG3 PRO A 201 19.898 17.827 81.329 1.00 5.32 H new ATOM 0 HD2 PRO A 201 18.365 19.196 79.771 1.00 11.66 H new ATOM 0 HD3 PRO A 201 19.886 19.542 79.801 1.00 11.66 H new ATOM 1294 N VAL A 202 19.004 14.698 77.743 1.00 15.16 N ATOM 1295 CA VAL A 202 17.979 13.665 77.605 1.00 16.33 C ATOM 1296 C VAL A 202 17.705 13.067 78.979 1.00 14.02 C ATOM 1297 O VAL A 202 18.620 12.911 79.785 1.00 13.91 O ATOM 1298 CB VAL A 202 18.415 12.517 76.661 1.00 19.26 C ATOM 1299 CG1 VAL A 202 18.743 13.060 75.299 1.00 36.77 C ATOM 1300 CG2 VAL A 202 19.612 11.781 77.226 1.00 26.76 C ATOM 0 H VAL A 202 19.805 14.431 77.582 1.00 15.16 H new ATOM 0 HA VAL A 202 17.191 14.084 77.225 1.00 16.33 H new ATOM 0 HB VAL A 202 17.678 11.892 76.584 1.00 19.26 H new ATOM 0 HG11 VAL A 202 19.014 12.333 74.717 1.00 36.77 H new ATOM 0 HG12 VAL A 202 17.960 13.496 74.927 1.00 36.77 H new ATOM 0 HG13 VAL A 202 19.466 13.702 75.372 1.00 36.77 H new ATOM 0 HG21 VAL A 202 19.869 11.068 76.621 1.00 26.76 H new ATOM 0 HG22 VAL A 202 20.353 12.399 77.329 1.00 26.76 H new ATOM 0 HG23 VAL A 202 19.382 11.405 78.090 1.00 26.76 H new ATOM 1301 N THR A 203 16.442 12.770 79.254 1.00 11.87 N ATOM 1302 CA THR A 203 16.057 12.176 80.528 1.00 12.98 C ATOM 1303 C THR A 203 15.359 10.849 80.250 1.00 14.60 C ATOM 1304 O THR A 203 15.050 10.538 79.096 1.00 13.91 O ATOM 1305 CB THR A 203 15.122 13.102 81.323 1.00 13.72 C ATOM 1306 OG1 THR A 203 13.920 13.329 80.580 1.00 12.66 O ATOM 1307 CG2 THR A 203 15.807 14.435 81.594 1.00 6.82 C ATOM 0 H THR A 203 15.788 12.905 78.713 1.00 11.87 H new ATOM 0 HA THR A 203 16.854 12.037 81.064 1.00 12.98 H new ATOM 0 HB THR A 203 14.907 12.677 82.168 1.00 13.72 H new ATOM 0 HG1 THR A 203 14.114 13.531 79.788 1.00 12.66 H new ATOM 0 HG21 THR A 203 15.209 15.011 82.096 1.00 6.82 H new ATOM 0 HG22 THR A 203 16.616 14.285 82.107 1.00 6.82 H new ATOM 0 HG23 THR A 203 16.033 14.860 80.752 1.00 6.82 H new ATOM 1308 N ALA A 204 15.135 10.057 81.296 1.00 13.09 N ATOM 1309 CA ALA A 204 14.484 8.760 81.136 1.00 13.42 C ATOM 1310 C ALA A 204 13.091 8.934 80.538 1.00 14.48 C ATOM 1311 O ALA A 204 12.607 8.073 79.805 1.00 19.57 O ATOM 1312 CB ALA A 204 14.413 8.026 82.476 1.00 12.95 C ATOM 0 H ALA A 204 15.352 10.252 82.105 1.00 13.09 H new ATOM 0 HA ALA A 204 15.012 8.223 80.525 1.00 13.42 H new ATOM 0 HB1 ALA A 204 13.978 7.168 82.352 1.00 12.95 H new ATOM 0 HB2 ALA A 204 15.310 7.887 82.817 1.00 12.95 H new ATOM 0 HB3 ALA A 204 13.905 8.557 83.109 1.00 12.95 H new ATOM 1313 N PHE A 205 12.475 10.076 80.822 1.00 10.53 N ATOM 1314 CA PHE A 205 11.148 10.395 80.314 1.00 11.65 C ATOM 1315 C PHE A 205 11.100 10.502 78.781 1.00 14.59 C ATOM 1316 O PHE A 205 10.054 10.271 78.171 1.00 14.96 O ATOM 1317 CB PHE A 205 10.668 11.704 80.940 1.00 8.24 C ATOM 1318 CG PHE A 205 9.376 12.213 80.372 1.00 18.97 C ATOM 1319 CD1 PHE A 205 8.203 11.470 80.494 1.00 24.16 C ATOM 1320 CD2 PHE A 205 9.330 13.436 79.713 1.00 22.86 C ATOM 1321 CE1 PHE A 205 7.003 11.938 79.967 1.00 18.36 C ATOM 1322 CE2 PHE A 205 8.136 13.914 79.183 1.00 24.78 C ATOM 1323 CZ PHE A 205 6.969 13.162 79.311 1.00 22.59 C ATOM 0 H PHE A 205 12.817 10.690 81.317 1.00 10.53 H new ATOM 0 HA PHE A 205 10.562 9.663 80.561 1.00 11.65 H new ATOM 0 HB2 PHE A 205 10.562 11.575 81.896 1.00 8.24 H new ATOM 0 HB3 PHE A 205 11.353 12.380 80.819 1.00 8.24 H new ATOM 0 HD1 PHE A 205 8.223 10.651 80.933 1.00 24.16 H new ATOM 0 HD2 PHE A 205 10.106 13.940 79.625 1.00 22.86 H new ATOM 0 HE1 PHE A 205 6.227 11.433 80.054 1.00 18.36 H new ATOM 0 HE2 PHE A 205 8.116 14.734 78.744 1.00 24.78 H new ATOM 0 HZ PHE A 205 6.169 13.479 78.958 1.00 22.59 H new ATOM 1324 N ASP A 206 12.226 10.857 78.169 1.00 10.65 N ATOM 1325 CA ASP A 206 12.302 11.006 76.721 1.00 9.80 C ATOM 1326 C ASP A 206 12.358 9.684 75.987 1.00 15.05 C ATOM 1327 O ASP A 206 12.314 9.650 74.757 1.00 16.83 O ATOM 1328 CB ASP A 206 13.498 11.868 76.341 1.00 6.79 C ATOM 1329 CG ASP A 206 13.412 13.250 76.934 1.00 8.46 C ATOM 1330 OD1 ASP A 206 12.339 13.877 76.812 1.00 2.00 O ATOM 1331 OD2 ASP A 206 14.405 13.697 77.540 1.00 13.65 O ATOM 0 H ASP A 206 12.964 11.017 78.580 1.00 10.65 H new ATOM 0 HA ASP A 206 11.481 11.443 76.445 1.00 9.80 H new ATOM 0 HB2 ASP A 206 14.314 11.438 76.643 1.00 6.79 H new ATOM 0 HB3 ASP A 206 13.553 11.935 75.375 1.00 6.79 H new ATOM 1332 N SER A 207 12.486 8.600 76.744 1.00 16.35 N ATOM 1333 CA SER A 207 12.518 7.262 76.172 1.00 16.78 C ATOM 1334 C SER A 207 11.128 7.002 75.565 1.00 19.48 C ATOM 1335 O SER A 207 10.105 7.322 76.183 1.00 20.59 O ATOM 1336 CB SER A 207 12.834 6.249 77.276 1.00 16.67 C ATOM 1337 OG SER A 207 12.973 4.937 76.761 1.00 42.33 O ATOM 0 H SER A 207 12.556 8.620 77.601 1.00 16.35 H new ATOM 0 HA SER A 207 13.201 7.178 75.488 1.00 16.78 H new ATOM 0 HB2 SER A 207 13.652 6.508 77.728 1.00 16.67 H new ATOM 0 HB3 SER A 207 12.127 6.263 77.940 1.00 16.67 H new ATOM 0 HG SER A 207 13.125 4.974 75.936 1.00 42.33 H new ATOM 1338 N GLY A 208 11.093 6.499 74.332 1.00 18.98 N ATOM 1339 CA GLY A 208 9.817 6.233 73.683 1.00 17.67 C ATOM 1340 C GLY A 208 9.882 5.962 72.189 1.00 16.82 C ATOM 1341 O GLY A 208 10.962 5.820 71.616 1.00 15.92 O ATOM 0 H GLY A 208 11.787 6.308 73.862 1.00 18.98 H new ATOM 0 HA2 GLY A 208 9.406 5.469 74.116 1.00 17.67 H new ATOM 0 HA3 GLY A 208 9.232 6.992 73.832 1.00 17.67 H new ATOM 1342 N GLU A 209 8.711 5.878 71.561 1.00 14.22 N ATOM 1343 CA GLU A 209 8.610 5.618 70.129 1.00 13.15 C ATOM 1344 C GLU A 209 8.291 6.908 69.373 1.00 11.00 C ATOM 1345 O GLU A 209 7.250 7.528 69.593 1.00 11.48 O ATOM 1346 CB GLU A 209 7.534 4.568 69.861 1.00 12.71 C ATOM 1347 CG GLU A 209 7.522 4.046 68.436 1.00 26.35 C ATOM 1348 CD GLU A 209 6.368 3.098 68.175 1.00 37.18 C ATOM 1349 OE1 GLU A 209 5.239 3.589 67.953 1.00 34.23 O ATOM 1350 OE2 GLU A 209 6.590 1.868 68.192 1.00 40.58 O ATOM 0 H GLU A 209 7.952 5.971 71.955 1.00 14.22 H new ATOM 0 HA GLU A 209 9.463 5.280 69.814 1.00 13.15 H new ATOM 0 HB2 GLU A 209 7.665 3.822 70.468 1.00 12.71 H new ATOM 0 HB3 GLU A 209 6.665 4.950 70.063 1.00 12.71 H new ATOM 0 HG2 GLU A 209 7.468 4.794 67.821 1.00 26.35 H new ATOM 0 HG3 GLU A 209 8.359 3.590 68.255 1.00 26.35 H new ATOM 1351 N TYR A 210 9.188 7.295 68.472 1.00 6.33 N ATOM 1352 CA TYR A 210 9.028 8.526 67.707 1.00 4.46 C ATOM 1353 C TYR A 210 8.885 8.324 66.204 1.00 5.97 C ATOM 1354 O TYR A 210 9.386 7.353 65.638 1.00 9.67 O ATOM 1355 CB TYR A 210 10.239 9.441 67.928 1.00 7.72 C ATOM 1356 CG TYR A 210 10.432 9.940 69.343 1.00 6.71 C ATOM 1357 CD1 TYR A 210 11.118 9.173 70.290 1.00 5.25 C ATOM 1358 CD2 TYR A 210 9.943 11.189 69.731 1.00 2.00 C ATOM 1359 CE1 TYR A 210 11.310 9.640 71.596 1.00 10.27 C ATOM 1360 CE2 TYR A 210 10.132 11.669 71.028 1.00 5.81 C ATOM 1361 CZ TYR A 210 10.813 10.891 71.953 1.00 13.94 C ATOM 1362 OH TYR A 210 10.995 11.369 73.230 1.00 13.86 O ATOM 0 H TYR A 210 9.903 6.854 68.288 1.00 6.33 H new ATOM 0 HA TYR A 210 8.202 8.916 68.033 1.00 4.46 H new ATOM 0 HB2 TYR A 210 11.039 8.963 67.659 1.00 7.72 H new ATOM 0 HB3 TYR A 210 10.156 10.208 67.340 1.00 7.72 H new ATOM 0 HD1 TYR A 210 11.452 8.339 70.048 1.00 5.25 H new ATOM 0 HD2 TYR A 210 9.483 11.711 69.114 1.00 2.00 H new ATOM 0 HE1 TYR A 210 11.765 9.120 72.219 1.00 10.27 H new ATOM 0 HE2 TYR A 210 9.804 12.505 71.270 1.00 5.81 H new ATOM 0 HH TYR A 210 11.422 10.804 73.683 1.00 13.86 H new ATOM 1363 N TYR A 211 8.182 9.254 65.570 1.00 3.23 N ATOM 1364 CA TYR A 211 8.022 9.266 64.123 1.00 10.06 C ATOM 1365 C TYR A 211 7.680 10.694 63.734 1.00 10.32 C ATOM 1366 O TYR A 211 7.245 11.488 64.581 1.00 6.05 O ATOM 1367 CB TYR A 211 6.992 8.241 63.611 1.00 14.69 C ATOM 1368 CG TYR A 211 5.529 8.596 63.756 1.00 16.44 C ATOM 1369 CD1 TYR A 211 4.885 9.403 62.812 1.00 9.25 C ATOM 1370 CD2 TYR A 211 4.768 8.066 64.795 1.00 15.74 C ATOM 1371 CE1 TYR A 211 3.522 9.667 62.902 1.00 11.67 C ATOM 1372 CE2 TYR A 211 3.405 8.323 64.893 1.00 18.86 C ATOM 1373 CZ TYR A 211 2.789 9.123 63.944 1.00 18.05 C ATOM 1374 OH TYR A 211 1.442 9.373 64.046 1.00 21.82 O ATOM 0 H TYR A 211 7.781 9.901 65.971 1.00 3.23 H new ATOM 0 HA TYR A 211 8.847 8.986 63.696 1.00 10.06 H new ATOM 0 HB2 TYR A 211 7.170 8.080 62.671 1.00 14.69 H new ATOM 0 HB3 TYR A 211 7.145 7.404 64.076 1.00 14.69 H new ATOM 0 HD1 TYR A 211 5.376 9.769 62.112 1.00 9.25 H new ATOM 0 HD2 TYR A 211 5.179 7.531 65.435 1.00 15.74 H new ATOM 0 HE1 TYR A 211 3.106 10.205 62.267 1.00 11.67 H new ATOM 0 HE2 TYR A 211 2.910 7.960 65.591 1.00 18.86 H new ATOM 0 HH TYR A 211 1.134 8.980 64.721 1.00 21.82 H new ATOM 1375 N CYS A 212 7.915 11.037 62.473 1.00 8.97 N ATOM 1376 CA CYS A 212 7.647 12.396 62.022 1.00 11.69 C ATOM 1377 C CYS A 212 6.858 12.450 60.731 1.00 8.50 C ATOM 1378 O CYS A 212 6.638 11.425 60.084 1.00 11.29 O ATOM 1379 CB CYS A 212 8.964 13.135 61.817 1.00 10.19 C ATOM 1380 SG CYS A 212 9.915 12.492 60.404 1.00 15.19 S ATOM 0 H CYS A 212 8.225 10.507 61.871 1.00 8.97 H new ATOM 0 HA CYS A 212 7.110 12.816 62.712 1.00 11.69 H new ATOM 0 HB2 CYS A 212 8.784 14.078 61.679 1.00 10.19 H new ATOM 0 HB3 CYS A 212 9.500 13.064 62.622 1.00 10.19 H new ATOM 1381 N GLN A 213 6.432 13.658 60.369 1.00 6.20 N ATOM 1382 CA GLN A 213 5.695 13.872 59.136 1.00 4.62 C ATOM 1383 C GLN A 213 6.198 15.127 58.435 1.00 6.46 C ATOM 1384 O GLN A 213 6.639 16.085 59.079 1.00 5.38 O ATOM 1385 CB GLN A 213 4.182 13.940 59.388 1.00 11.23 C ATOM 1386 CG GLN A 213 3.616 15.298 59.775 1.00 3.70 C ATOM 1387 CD GLN A 213 2.103 15.258 59.933 1.00 16.15 C ATOM 1388 OE1 GLN A 213 1.562 14.363 60.577 1.00 21.54 O ATOM 1389 NE2 GLN A 213 1.414 16.221 59.334 1.00 16.49 N ATOM 0 H GLN A 213 6.563 14.371 60.832 1.00 6.20 H new ATOM 0 HA GLN A 213 5.851 13.112 58.553 1.00 4.62 H new ATOM 0 HB2 GLN A 213 3.727 13.640 58.586 1.00 11.23 H new ATOM 0 HB3 GLN A 213 3.963 13.309 60.091 1.00 11.23 H new ATOM 0 HG2 GLN A 213 4.020 15.591 60.607 1.00 3.70 H new ATOM 0 HG3 GLN A 213 3.853 15.952 59.099 1.00 3.70 H new ATOM 0 HE21 GLN A 213 1.826 16.832 58.891 1.00 16.49 H new ATOM 0 HE22 GLN A 213 0.556 16.234 59.389 1.00 16.49 H new ATOM 1390 N ALA A 214 6.154 15.095 57.106 1.00 6.89 N ATOM 1391 CA ALA A 214 6.606 16.208 56.284 1.00 2.00 C ATOM 1392 C ALA A 214 5.473 16.716 55.418 1.00 5.20 C ATOM 1393 O ALA A 214 4.676 15.932 54.907 1.00 8.66 O ATOM 1394 CB ALA A 214 7.756 15.763 55.409 1.00 2.00 C ATOM 0 H ALA A 214 5.860 14.424 56.656 1.00 6.89 H new ATOM 0 HA ALA A 214 6.902 16.926 56.865 1.00 2.00 H new ATOM 0 HB1 ALA A 214 8.054 16.507 54.863 1.00 2.00 H new ATOM 0 HB2 ALA A 214 8.488 15.458 55.967 1.00 2.00 H new ATOM 0 HB3 ALA A 214 7.464 15.038 54.835 1.00 2.00 H new ATOM 1395 N GLN A 215 5.397 18.031 55.259 1.00 6.32 N ATOM 1396 CA GLN A 215 4.364 18.631 54.418 1.00 12.47 C ATOM 1397 C GLN A 215 4.834 19.976 53.888 1.00 9.74 C ATOM 1398 O GLN A 215 5.653 20.644 54.521 1.00 11.31 O ATOM 1399 CB GLN A 215 3.045 18.774 55.179 1.00 10.60 C ATOM 1400 CG GLN A 215 3.079 19.738 56.343 1.00 28.50 C ATOM 1401 CD GLN A 215 1.877 19.573 57.248 1.00 48.80 C ATOM 1402 OE1 GLN A 215 1.945 18.871 58.256 1.00 56.99 O ATOM 1403 NE2 GLN A 215 0.764 20.204 56.885 1.00 46.89 N ATOM 0 H GLN A 215 5.932 18.595 55.628 1.00 6.32 H new ATOM 0 HA GLN A 215 4.204 18.041 53.665 1.00 12.47 H new ATOM 0 HB2 GLN A 215 2.359 19.063 54.558 1.00 10.60 H new ATOM 0 HB3 GLN A 215 2.781 17.901 55.508 1.00 10.60 H new ATOM 0 HG2 GLN A 215 3.891 19.598 56.855 1.00 28.50 H new ATOM 0 HG3 GLN A 215 3.109 20.648 56.008 1.00 28.50 H new ATOM 0 HE21 GLN A 215 0.756 20.686 56.173 1.00 46.89 H new ATOM 0 HE22 GLN A 215 0.053 20.130 57.362 1.00 46.89 H new ATOM 1404 N ASN A 216 4.345 20.352 52.710 1.00 6.61 N ATOM 1405 CA ASN A 216 4.734 21.621 52.104 1.00 8.12 C ATOM 1406 C ASN A 216 3.548 22.366 51.491 1.00 9.75 C ATOM 1407 O ASN A 216 3.713 23.171 50.572 1.00 13.98 O ATOM 1408 CB ASN A 216 5.843 21.399 51.061 1.00 6.48 C ATOM 1409 CG ASN A 216 5.365 20.620 49.832 1.00 15.86 C ATOM 1410 OD1 ASN A 216 4.251 20.091 49.801 1.00 6.37 O ATOM 1411 ND2 ASN A 216 6.212 20.561 48.809 1.00 4.57 N ATOM 0 H ASN A 216 3.788 19.888 52.247 1.00 6.61 H new ATOM 0 HA ASN A 216 5.078 22.185 52.814 1.00 8.12 H new ATOM 0 HB2 ASN A 216 6.189 22.259 50.777 1.00 6.48 H new ATOM 0 HB3 ASN A 216 6.578 20.920 51.475 1.00 6.48 H new ATOM 0 HD21 ASN A 216 5.991 20.142 48.091 1.00 4.57 H new ATOM 0 HD22 ASN A 216 6.981 20.942 48.865 1.00 4.57 H new ATOM 1412 N GLY A 217 2.353 22.091 52.006 1.00 9.70 N ATOM 1413 CA GLY A 217 1.154 22.743 51.508 1.00 10.29 C ATOM 1414 C GLY A 217 0.669 22.262 50.154 1.00 12.57 C ATOM 1415 O GLY A 217 -0.310 22.790 49.629 1.00 16.51 O ATOM 0 H GLY A 217 2.218 21.530 52.644 1.00 9.70 H new ATOM 0 HA2 GLY A 217 0.442 22.615 52.154 1.00 10.29 H new ATOM 0 HA3 GLY A 217 1.321 23.697 51.455 1.00 10.29 H new ATOM 1416 N TYR A 218 1.351 21.269 49.588 1.00 12.63 N ATOM 1417 CA TYR A 218 0.984 20.722 48.286 1.00 10.45 C ATOM 1418 C TYR A 218 0.895 19.203 48.345 1.00 11.73 C ATOM 1419 O TYR A 218 1.807 18.535 48.827 1.00 13.65 O ATOM 1420 CB TYR A 218 2.001 21.143 47.223 1.00 7.88 C ATOM 1421 CG TYR A 218 1.698 20.608 45.840 1.00 10.02 C ATOM 1422 CD1 TYR A 218 0.531 20.969 45.167 1.00 8.58 C ATOM 1423 CD2 TYR A 218 2.576 19.733 45.207 1.00 12.49 C ATOM 1424 CE1 TYR A 218 0.245 20.469 43.898 1.00 5.98 C ATOM 1425 CE2 TYR A 218 2.302 19.229 43.941 1.00 11.46 C ATOM 1426 CZ TYR A 218 1.136 19.599 43.292 1.00 14.71 C ATOM 1427 OH TYR A 218 0.869 19.097 42.038 1.00 20.88 O ATOM 0 H TYR A 218 2.037 20.895 49.947 1.00 12.63 H new ATOM 0 HA TYR A 218 0.113 21.075 48.046 1.00 10.45 H new ATOM 0 HB2 TYR A 218 2.034 22.112 47.185 1.00 7.88 H new ATOM 0 HB3 TYR A 218 2.882 20.839 47.492 1.00 7.88 H new ATOM 0 HD1 TYR A 218 -0.067 21.554 45.573 1.00 8.58 H new ATOM 0 HD2 TYR A 218 3.360 19.481 45.639 1.00 12.49 H new ATOM 0 HE1 TYR A 218 -0.538 20.718 43.462 1.00 5.98 H new ATOM 0 HE2 TYR A 218 2.899 18.646 43.531 1.00 11.46 H new ATOM 0 HH TYR A 218 1.494 18.588 41.801 1.00 20.88 H new ATOM 1428 N GLY A 219 -0.191 18.661 47.808 1.00 13.31 N ATOM 1429 CA GLY A 219 -0.384 17.226 47.830 1.00 13.18 C ATOM 1430 C GLY A 219 -0.822 16.789 49.211 1.00 14.48 C ATOM 1431 O GLY A 219 -1.626 17.457 49.859 1.00 21.99 O ATOM 0 H GLY A 219 -0.822 19.106 47.429 1.00 13.31 H new ATOM 0 HA2 GLY A 219 -1.051 16.971 47.174 1.00 13.18 H new ATOM 0 HA3 GLY A 219 0.440 16.777 47.586 1.00 13.18 H new ATOM 1432 N THR A 220 -0.264 15.687 49.686 1.00 14.76 N ATOM 1433 CA THR A 220 -0.624 15.174 50.996 1.00 10.76 C ATOM 1434 C THR A 220 0.620 15.015 51.863 1.00 10.67 C ATOM 1435 O THR A 220 1.706 14.753 51.356 1.00 12.38 O ATOM 1436 CB THR A 220 -1.359 13.816 50.861 1.00 16.26 C ATOM 1437 OG1 THR A 220 -1.728 13.332 52.157 1.00 27.06 O ATOM 1438 CG2 THR A 220 -0.469 12.787 50.168 1.00 19.20 C ATOM 0 H THR A 220 0.325 15.222 49.266 1.00 14.76 H new ATOM 0 HA THR A 220 -1.221 15.809 51.422 1.00 10.76 H new ATOM 0 HB THR A 220 -2.156 13.951 50.324 1.00 16.26 H new ATOM 0 HG1 THR A 220 -2.127 12.597 52.079 1.00 27.06 H new ATOM 0 HG21 THR A 220 -0.945 11.945 50.093 1.00 19.20 H new ATOM 0 HG22 THR A 220 -0.235 13.106 49.282 1.00 19.20 H new ATOM 0 HG23 THR A 220 0.339 12.655 50.688 1.00 19.20 H new ATOM 1439 N ALA A 221 0.464 15.218 53.168 1.00 9.73 N ATOM 1440 CA ALA A 221 1.574 15.078 54.096 1.00 5.40 C ATOM 1441 C ALA A 221 1.963 13.606 54.166 1.00 8.61 C ATOM 1442 O ALA A 221 1.134 12.724 53.946 1.00 16.26 O ATOM 1443 CB ALA A 221 1.180 15.590 55.466 1.00 3.14 C ATOM 0 H ALA A 221 -0.282 15.439 53.535 1.00 9.73 H new ATOM 0 HA ALA A 221 2.331 15.601 53.789 1.00 5.40 H new ATOM 0 HB1 ALA A 221 1.928 15.491 56.076 1.00 3.14 H new ATOM 0 HB2 ALA A 221 0.935 16.527 55.404 1.00 3.14 H new ATOM 0 HB3 ALA A 221 0.424 15.080 55.797 1.00 3.14 H new ATOM 1444 N MET A 222 3.232 13.344 54.440 1.00 8.77 N ATOM 1445 CA MET A 222 3.724 11.975 54.515 1.00 11.44 C ATOM 1446 C MET A 222 4.354 11.723 55.869 1.00 12.32 C ATOM 1447 O MET A 222 5.015 12.598 56.423 1.00 16.17 O ATOM 1448 CB MET A 222 4.777 11.739 53.430 1.00 5.11 C ATOM 1449 CG MET A 222 4.271 11.888 52.015 1.00 4.89 C ATOM 1450 SD MET A 222 3.263 10.494 51.498 1.00 21.76 S ATOM 1451 CE MET A 222 4.504 9.252 51.202 1.00 16.60 C ATOM 0 H MET A 222 3.828 13.946 54.587 1.00 8.77 H new ATOM 0 HA MET A 222 2.976 11.371 54.385 1.00 11.44 H new ATOM 0 HB2 MET A 222 5.509 12.361 53.566 1.00 5.11 H new ATOM 0 HB3 MET A 222 5.140 10.846 53.538 1.00 5.11 H new ATOM 0 HG2 MET A 222 3.751 12.704 51.944 1.00 4.89 H new ATOM 0 HG3 MET A 222 5.026 11.980 51.412 1.00 4.89 H new ATOM 0 HE1 MET A 222 4.472 8.977 50.272 1.00 16.60 H new ATOM 0 HE2 MET A 222 5.381 9.616 51.401 1.00 16.60 H new ATOM 0 HE3 MET A 222 4.336 8.485 51.771 1.00 16.60 H new ATOM 1452 N ARG A 223 4.145 10.530 56.408 1.00 12.22 N ATOM 1453 CA ARG A 223 4.732 10.184 57.694 1.00 12.00 C ATOM 1454 C ARG A 223 5.888 9.217 57.479 1.00 11.39 C ATOM 1455 O ARG A 223 5.976 8.559 56.440 1.00 10.11 O ATOM 1456 CB ARG A 223 3.695 9.555 58.632 1.00 9.35 C ATOM 1457 CG ARG A 223 3.040 8.286 58.102 1.00 16.18 C ATOM 1458 CD ARG A 223 2.519 7.428 59.240 1.00 16.09 C ATOM 1459 NE ARG A 223 3.623 6.875 60.022 1.00 29.22 N ATOM 1460 CZ ARG A 223 3.502 6.338 61.234 1.00 28.52 C ATOM 1461 NH1 ARG A 223 2.319 6.286 61.836 1.00 21.46 N ATOM 1462 NH2 ARG A 223 4.576 5.865 61.852 1.00 19.61 N ATOM 0 H ARG A 223 3.670 9.910 56.048 1.00 12.22 H new ATOM 0 HA ARG A 223 5.055 10.998 58.110 1.00 12.00 H new ATOM 0 HB2 ARG A 223 4.124 9.353 59.478 1.00 9.35 H new ATOM 0 HB3 ARG A 223 3.003 10.210 58.813 1.00 9.35 H new ATOM 0 HG2 ARG A 223 2.310 8.519 57.507 1.00 16.18 H new ATOM 0 HG3 ARG A 223 3.682 7.781 57.579 1.00 16.18 H new ATOM 0 HD2 ARG A 223 1.945 7.959 59.814 1.00 16.09 H new ATOM 0 HD3 ARG A 223 1.976 6.707 58.884 1.00 16.09 H new ATOM 0 HE ARG A 223 4.409 6.898 59.673 1.00 29.22 H new ATOM 0 HH11 ARG A 223 1.622 6.601 61.443 1.00 21.46 H new ATOM 0 HH12 ARG A 223 2.250 5.937 62.619 1.00 21.46 H new ATOM 0 HH21 ARG A 223 5.345 5.906 61.470 1.00 19.61 H new ATOM 0 HH22 ARG A 223 4.503 5.517 62.635 1.00 19.61 H new ATOM 1463 N SER A 224 6.790 9.164 58.450 1.00 7.83 N ATOM 1464 CA SER A 224 7.929 8.261 58.385 1.00 6.60 C ATOM 1465 C SER A 224 7.598 7.043 59.230 1.00 8.64 C ATOM 1466 O SER A 224 6.531 6.966 59.849 1.00 7.00 O ATOM 1467 CB SER A 224 9.166 8.924 58.990 1.00 8.66 C ATOM 1468 OG SER A 224 9.065 8.991 60.409 1.00 2.00 O ATOM 0 H SER A 224 6.760 9.647 59.161 1.00 7.83 H new ATOM 0 HA SER A 224 8.106 8.027 57.461 1.00 6.60 H new ATOM 0 HB2 SER A 224 9.959 8.424 58.742 1.00 8.66 H new ATOM 0 HB3 SER A 224 9.269 9.818 58.627 1.00 8.66 H new ATOM 0 HG SER A 224 9.625 8.469 60.755 1.00 2.00 H new ATOM 1469 N GLU A 225 8.527 6.096 59.261 1.00 8.82 N ATOM 1470 CA GLU A 225 8.363 4.913 60.083 1.00 9.13 C ATOM 1471 C GLU A 225 8.704 5.307 61.517 1.00 11.49 C ATOM 1472 O GLU A 225 9.347 6.332 61.755 1.00 10.21 O ATOM 1473 CB GLU A 225 9.282 3.789 59.609 1.00 8.67 C ATOM 1474 CG GLU A 225 8.733 3.033 58.408 1.00 26.39 C ATOM 1475 CD GLU A 225 7.297 2.579 58.620 1.00 34.07 C ATOM 1476 OE1 GLU A 225 6.993 2.014 59.697 1.00 42.03 O ATOM 1477 OE2 GLU A 225 6.468 2.807 57.715 1.00 35.13 O ATOM 0 H GLU A 225 9.260 6.122 58.812 1.00 8.82 H new ATOM 0 HA GLU A 225 7.452 4.585 60.022 1.00 9.13 H new ATOM 0 HB2 GLU A 225 10.148 4.162 59.381 1.00 8.67 H new ATOM 0 HB3 GLU A 225 9.424 3.166 60.339 1.00 8.67 H new ATOM 0 HG2 GLU A 225 8.778 3.601 57.623 1.00 26.39 H new ATOM 0 HG3 GLU A 225 9.292 2.260 58.232 1.00 26.39 H new ATOM 1478 N ALA A 226 8.232 4.517 62.471 1.00 13.65 N ATOM 1479 CA ALA A 226 8.490 4.791 63.875 1.00 8.10 C ATOM 1480 C ALA A 226 9.764 4.106 64.330 1.00 9.61 C ATOM 1481 O ALA A 226 10.178 3.090 63.764 1.00 13.94 O ATOM 1482 CB ALA A 226 7.324 4.336 64.713 1.00 7.18 C ATOM 0 H ALA A 226 7.758 3.814 62.325 1.00 13.65 H new ATOM 0 HA ALA A 226 8.603 5.748 63.986 1.00 8.10 H new ATOM 0 HB1 ALA A 226 7.505 4.523 65.648 1.00 7.18 H new ATOM 0 HB2 ALA A 226 6.523 4.810 64.438 1.00 7.18 H new ATOM 0 HB3 ALA A 226 7.192 3.382 64.594 1.00 7.18 H new ATOM 1483 N ALA A 227 10.388 4.677 65.353 1.00 9.41 N ATOM 1484 CA ALA A 227 11.619 4.136 65.912 1.00 9.73 C ATOM 1485 C ALA A 227 11.631 4.428 67.402 1.00 9.97 C ATOM 1486 O ALA A 227 11.209 5.502 67.843 1.00 9.71 O ATOM 1487 CB ALA A 227 12.841 4.759 65.233 1.00 5.90 C ATOM 0 H ALA A 227 10.109 5.391 65.743 1.00 9.41 H new ATOM 0 HA ALA A 227 11.657 3.179 65.760 1.00 9.73 H new ATOM 0 HB1 ALA A 227 13.650 4.387 65.618 1.00 5.90 H new ATOM 0 HB2 ALA A 227 12.817 4.566 64.283 1.00 5.90 H new ATOM 0 HB3 ALA A 227 12.832 5.720 65.367 1.00 5.90 H new ATOM 1488 N HIS A 228 12.099 3.459 68.177 1.00 9.76 N ATOM 1489 CA HIS A 228 12.150 3.610 69.617 1.00 10.64 C ATOM 1490 C HIS A 228 13.529 4.021 70.119 1.00 12.28 C ATOM 1491 O HIS A 228 14.558 3.537 69.633 1.00 12.12 O ATOM 1492 CB HIS A 228 11.720 2.310 70.299 1.00 9.66 C ATOM 1493 CG HIS A 228 11.717 2.389 71.794 1.00 23.88 C ATOM 1494 ND1 HIS A 228 12.808 2.033 72.559 1.00 17.42 N ATOM 1495 CD2 HIS A 228 10.765 2.804 72.664 1.00 25.12 C ATOM 1496 CE1 HIS A 228 12.529 2.229 73.836 1.00 33.29 C ATOM 1497 NE2 HIS A 228 11.295 2.696 73.927 1.00 31.25 N ATOM 0 H HIS A 228 12.392 2.705 67.885 1.00 9.76 H new ATOM 0 HA HIS A 228 11.535 4.325 69.845 1.00 10.64 H new ATOM 0 HB2 HIS A 228 10.831 2.072 69.994 1.00 9.66 H new ATOM 0 HB3 HIS A 228 12.315 1.596 70.022 1.00 9.66 H new ATOM 0 HD2 HIS A 228 9.912 3.106 72.447 1.00 25.12 H new ATOM 0 HE1 HIS A 228 13.103 2.066 74.549 1.00 33.29 H new ATOM 0 HE2 HIS A 228 10.890 2.899 74.658 1.00 31.25 H new ATOM 1498 N MET A 229 13.530 4.922 71.095 1.00 11.54 N ATOM 1499 CA MET A 229 14.758 5.393 71.720 1.00 15.57 C ATOM 1500 C MET A 229 14.754 5.012 73.200 1.00 16.72 C ATOM 1501 O MET A 229 13.799 5.297 73.928 1.00 13.06 O ATOM 1502 CB MET A 229 14.893 6.910 71.589 1.00 11.30 C ATOM 1503 CG MET A 229 16.149 7.450 72.236 1.00 9.97 C ATOM 1504 SD MET A 229 16.364 9.198 71.960 1.00 16.40 S ATOM 1505 CE MET A 229 15.290 9.875 73.233 1.00 13.26 C ATOM 0 H MET A 229 12.815 5.278 71.414 1.00 11.54 H new ATOM 0 HA MET A 229 15.510 4.977 71.270 1.00 15.57 H new ATOM 0 HB2 MET A 229 14.891 7.150 70.649 1.00 11.30 H new ATOM 0 HB3 MET A 229 14.119 7.334 71.992 1.00 11.30 H new ATOM 0 HG2 MET A 229 16.117 7.278 73.190 1.00 9.97 H new ATOM 0 HG3 MET A 229 16.919 6.974 71.888 1.00 9.97 H new ATOM 0 HE1 MET A 229 15.313 10.844 73.195 1.00 13.26 H new ATOM 0 HE2 MET A 229 14.382 9.568 73.087 1.00 13.26 H new ATOM 0 HE3 MET A 229 15.595 9.579 74.105 1.00 13.26 H new ATOM 1506 N ASP A 230 15.819 4.348 73.632 1.00 19.13 N ATOM 1507 CA ASP A 230 15.950 3.941 75.022 1.00 18.09 C ATOM 1508 C ASP A 230 16.959 4.844 75.720 1.00 15.00 C ATOM 1509 O ASP A 230 18.059 5.072 75.210 1.00 15.68 O ATOM 1510 CB ASP A 230 16.408 2.487 75.106 1.00 22.27 C ATOM 1511 CG ASP A 230 15.503 1.639 75.976 1.00 37.40 C ATOM 1512 OD1 ASP A 230 15.027 2.128 77.032 1.00 37.25 O ATOM 1513 OD2 ASP A 230 15.273 0.472 75.595 1.00 50.00 O ATOM 0 H ASP A 230 16.481 4.123 73.131 1.00 19.13 H new ATOM 0 HA ASP A 230 15.088 4.020 75.459 1.00 18.09 H new ATOM 0 HB2 ASP A 230 16.439 2.109 74.213 1.00 22.27 H new ATOM 0 HB3 ASP A 230 17.311 2.456 75.458 1.00 22.27 H new ATOM 1514 N ALA A 231 16.568 5.386 76.867 1.00 13.14 N ATOM 1515 CA ALA A 231 17.445 6.261 77.634 1.00 14.92 C ATOM 1516 C ALA A 231 17.934 5.547 78.893 1.00 16.32 C ATOM 1517 O ALA A 231 17.154 5.266 79.806 1.00 17.64 O ATOM 1518 CB ALA A 231 16.723 7.554 77.994 1.00 4.45 C ATOM 0 H ALA A 231 15.794 5.259 77.220 1.00 13.14 H new ATOM 0 HA ALA A 231 18.216 6.485 77.089 1.00 14.92 H new ATOM 0 HB1 ALA A 231 17.318 8.126 78.504 1.00 4.45 H new ATOM 0 HB2 ALA A 231 16.453 8.011 77.182 1.00 4.45 H new ATOM 0 HB3 ALA A 231 15.938 7.349 78.526 1.00 4.45 H new ATOM 1519 N VAL A 232 19.227 5.237 78.918 1.00 18.01 N ATOM 1520 CA VAL A 232 19.849 4.550 80.051 1.00 22.61 C ATOM 1521 C VAL A 232 20.758 5.480 80.856 1.00 22.56 C ATOM 1522 O VAL A 232 21.106 6.564 80.393 1.00 23.91 O ATOM 1523 CB VAL A 232 20.652 3.319 79.579 1.00 25.94 C ATOM 1524 CG1 VAL A 232 19.706 2.279 78.996 1.00 31.96 C ATOM 1525 CG2 VAL A 232 21.682 3.728 78.535 1.00 20.84 C ATOM 0 H VAL A 232 19.771 5.419 78.277 1.00 18.01 H new ATOM 0 HA VAL A 232 19.128 4.257 80.630 1.00 22.61 H new ATOM 0 HB VAL A 232 21.116 2.937 80.340 1.00 25.94 H new ATOM 0 HG11 VAL A 232 20.215 1.508 78.701 1.00 31.96 H new ATOM 0 HG12 VAL A 232 19.068 2.005 79.674 1.00 31.96 H new ATOM 0 HG13 VAL A 232 19.231 2.660 78.241 1.00 31.96 H new ATOM 0 HG21 VAL A 232 22.179 2.946 78.247 1.00 20.84 H new ATOM 0 HG22 VAL A 232 21.231 4.123 77.772 1.00 20.84 H new ATOM 0 HG23 VAL A 232 22.293 4.376 78.919 1.00 20.84 H new ATOM 1526 N GLU A 233 21.167 5.044 82.044 1.00 26.16 N ATOM 1527 CA GLU A 233 22.017 5.870 82.900 1.00 30.02 C ATOM 1528 C GLU A 233 23.516 5.880 82.618 1.00 30.54 C ATOM 1529 O GLU A 233 24.163 6.918 82.777 1.00 33.27 O ATOM 1530 CB GLU A 233 21.761 5.567 84.377 1.00 33.02 C ATOM 1531 CG GLU A 233 20.402 6.049 84.870 1.00 49.98 C ATOM 1532 CD GLU A 233 20.216 5.874 86.365 1.00 62.23 C ATOM 1533 OE1 GLU A 233 20.030 4.720 86.815 1.00 56.32 O ATOM 1534 OE2 GLU A 233 20.250 6.895 87.087 1.00 63.32 O ATOM 0 H GLU A 233 20.965 4.276 82.373 1.00 26.16 H new ATOM 0 HA GLU A 233 21.739 6.770 82.668 1.00 30.02 H new ATOM 0 HB2 GLU A 233 21.828 4.610 84.520 1.00 33.02 H new ATOM 0 HB3 GLU A 233 22.457 5.983 84.910 1.00 33.02 H new ATOM 0 HG2 GLU A 233 20.296 6.986 84.644 1.00 49.98 H new ATOM 0 HG3 GLU A 233 19.704 5.563 84.404 1.00 49.98 H new ATOM 1535 N LEU A 234 24.079 4.747 82.211 1.00 27.74 N ATOM 1536 CA LEU A 234 25.514 4.702 81.934 1.00 28.25 C ATOM 1537 C LEU A 234 25.850 4.893 80.460 1.00 26.34 C ATOM 1538 O LEU A 234 24.969 4.809 79.600 1.00 24.99 O ATOM 1539 CB LEU A 234 26.130 3.401 82.454 1.00 26.66 C ATOM 1540 CG LEU A 234 26.024 3.190 83.966 1.00 27.95 C ATOM 1541 CD1 LEU A 234 26.749 1.912 84.357 1.00 34.72 C ATOM 1542 CD2 LEU A 234 26.602 4.387 84.707 1.00 22.15 C ATOM 0 H LEU A 234 23.659 4.006 82.090 1.00 27.74 H new ATOM 0 HA LEU A 234 25.902 5.454 82.409 1.00 28.25 H new ATOM 0 HB2 LEU A 234 25.701 2.655 82.007 1.00 26.66 H new ATOM 0 HB3 LEU A 234 27.067 3.381 82.204 1.00 26.66 H new ATOM 0 HG LEU A 234 25.090 3.105 84.212 1.00 27.95 H new ATOM 0 HD11 LEU A 234 26.680 1.781 85.316 1.00 34.72 H new ATOM 0 HD12 LEU A 234 26.346 1.158 83.898 1.00 34.72 H new ATOM 0 HD13 LEU A 234 27.684 1.980 84.107 1.00 34.72 H new ATOM 0 HD21 LEU A 234 26.529 4.242 85.663 1.00 22.15 H new ATOM 0 HD22 LEU A 234 27.535 4.496 84.467 1.00 22.15 H new ATOM 0 HD23 LEU A 234 26.110 5.187 84.464 1.00 22.15 H new ATOM 1543 N ASN A 235 27.126 5.165 80.185 1.00 24.04 N ATOM 1544 CA ASN A 235 27.619 5.376 78.821 1.00 21.39 C ATOM 1545 C ASN A 235 27.240 4.268 77.853 1.00 19.90 C ATOM 1546 O ASN A 235 27.335 3.085 78.172 1.00 21.42 O ATOM 1547 CB ASN A 235 29.142 5.532 78.806 1.00 15.32 C ATOM 1548 CG ASN A 235 29.587 6.981 78.742 1.00 20.62 C ATOM 1549 OD1 ASN A 235 28.932 7.873 79.277 1.00 18.51 O ATOM 1550 ND2 ASN A 235 30.709 7.220 78.077 1.00 20.51 N ATOM 0 H ASN A 235 27.735 5.233 80.789 1.00 24.04 H new ATOM 0 HA ASN A 235 27.187 6.191 78.521 1.00 21.39 H new ATOM 0 HB2 ASN A 235 29.513 5.120 79.602 1.00 15.32 H new ATOM 0 HB3 ASN A 235 29.504 5.053 78.044 1.00 15.32 H new ATOM 0 HD21 ASN A 235 31.005 8.025 78.007 1.00 20.51 H new ATOM 0 HD22 ASN A 235 31.141 6.570 77.715 1.00 20.51 H new ATOM 1551 N VAL A 236 26.819 4.677 76.663 1.00 21.07 N ATOM 1552 CA VAL A 236 26.434 3.762 75.599 1.00 24.38 C ATOM 1553 C VAL A 236 27.627 3.538 74.661 1.00 28.82 C ATOM 1554 O VAL A 236 28.425 4.453 74.436 1.00 27.28 O ATOM 1555 CB VAL A 236 25.246 4.350 74.796 1.00 23.40 C ATOM 1556 CG1 VAL A 236 24.974 3.528 73.547 1.00 33.50 C ATOM 1557 CG2 VAL A 236 24.001 4.404 75.673 1.00 24.29 C ATOM 0 H VAL A 236 26.748 5.507 76.448 1.00 21.07 H new ATOM 0 HA VAL A 236 26.164 2.916 75.990 1.00 24.38 H new ATOM 0 HB VAL A 236 25.479 5.250 74.520 1.00 23.40 H new ATOM 0 HG11 VAL A 236 24.228 3.914 73.062 1.00 33.50 H new ATOM 0 HG12 VAL A 236 25.762 3.528 72.981 1.00 33.50 H new ATOM 0 HG13 VAL A 236 24.758 2.617 73.800 1.00 33.50 H new ATOM 0 HG21 VAL A 236 23.262 4.773 75.164 1.00 24.29 H new ATOM 0 HG22 VAL A 236 23.774 3.508 75.969 1.00 24.29 H new ATOM 0 HG23 VAL A 236 24.173 4.965 76.445 1.00 24.29 H new ATOM 1558 N GLY A 237 27.762 2.316 74.147 1.00 32.28 N ATOM 1559 CA GLY A 237 28.845 2.014 73.223 1.00 37.43 C ATOM 1560 C GLY A 237 30.079 1.347 73.801 1.00 42.24 C ATOM 1561 O GLY A 237 31.010 1.024 73.058 1.00 41.55 O ATOM 0 H GLY A 237 27.240 1.655 74.321 1.00 32.28 H new ATOM 0 HA2 GLY A 237 28.493 1.442 72.523 1.00 37.43 H new ATOM 0 HA3 GLY A 237 29.120 2.843 72.800 1.00 37.43 H new ATOM 1562 N GLY A 238 30.097 1.154 75.118 1.00 46.07 N ATOM 1563 CA GLY A 238 31.228 0.515 75.775 1.00 51.84 C ATOM 1564 C GLY A 238 32.541 1.269 75.664 1.00 55.33 C ATOM 1565 O GLY A 238 32.634 2.396 76.196 1.00 55.13 O ATOM 1566 OXT GLY A 238 33.486 0.727 75.048 1.00 58.49 O ATOM 0 H GLY A 238 29.461 1.387 75.648 1.00 46.07 H new ATOM 0 HA2 GLY A 238 31.016 0.398 76.714 1.00 51.84 H new ATOM 0 HA3 GLY A 238 31.346 -0.371 75.398 1.00 51.84 H new TER 1567 GLY A 238 HETATM 1568 MG MG A 250 16.971 10.848 46.083 1.00 23.99 MG HETATM 1569 O HOH A 251 8.079 13.476 46.040 1.00 2.79 O HETATM 1570 O HOH A 252 16.174 16.698 60.809 1.00 4.43 O HETATM 1571 O HOH A 253 18.889 41.888 26.285 1.00 4.55 O HETATM 1572 O HOH A 254 7.244 8.941 49.050 1.00 6.32 O HETATM 1573 O HOH A 255 17.742 12.394 45.083 1.00 7.10 O HETATM 1574 O HOH A 256 13.199 12.358 49.835 1.00 7.98 O HETATM 1575 O HOH A 257 16.692 42.877 24.836 1.00 8.28 O HETATM 1576 O HOH A 258 9.357 13.197 43.475 1.00 9.77 O HETATM 1577 O HOH A 259 10.424 6.415 57.095 1.00 11.36 O HETATM 1578 O HOH A 260 10.105 13.143 75.264 1.00 11.40 O HETATM 1579 O HOH A 261 29.439 10.388 78.600 1.00 11.98 O HETATM 1580 O HOH A 262 5.178 30.907 18.667 1.00 12.74 O HETATM 1581 O HOH A 263 15.380 26.252 32.894 1.00 12.86 O HETATM 1582 O HOH A 264 7.430 30.934 42.336 1.00 13.24 O HETATM 1583 O HOH A 265 2.484 18.305 51.719 1.00 13.50 O HETATM 1584 O HOH A 266 6.167 12.590 83.286 1.00 13.77 O HETATM 1585 O HOH A 267 10.468 52.454 21.863 1.00 14.23 O HETATM 1586 O HOH A 268 21.817 28.863 20.901 1.00 16.38 O HETATM 1587 O HOH A 269 12.467 23.293 55.320 1.00 16.71 O HETATM 1588 O HOH A 270 3.840 42.339 24.570 1.00 17.99 O HETATM 1589 O HOH A 271 4.514 18.931 59.049 1.00 18.41 O HETATM 1590 O HOH A 272 5.275 43.593 36.348 1.00 18.47 O HETATM 1591 O HOH A 273 10.278 28.961 19.495 1.00 19.14 O HETATM 1592 O HOH A 274 16.231 5.524 63.336 1.00 19.35 O HETATM 1593 O HOH A 275 18.308 22.509 63.757 1.00 19.36 O HETATM 1594 O HOH A 276 0.386 20.075 53.389 1.00 20.36 O HETATM 1595 O HOH A 277 4.867 31.346 23.988 1.00 20.72 O HETATM 1596 O HOH A 278 23.184 17.136 81.803 1.00 21.23 O HETATM 1597 O HOH A 279 12.614 30.830 18.789 1.00 22.20 O HETATM 1598 O HOH A 280 6.613 24.359 53.458 1.00 22.21 O HETATM 1599 O HOH A 281 18.970 10.510 46.873 1.00 22.43 O HETATM 1600 O HOH A 282 4.481 6.690 67.961 1.00 23.70 O HETATM 1601 O HOH A 283 12.558 35.988 41.802 1.00 23.84 O HETATM 1602 O HOH A 284 18.761 52.075 27.583 1.00 24.04 O HETATM 1603 O HOH A 285 2.663 8.501 54.909 1.00 24.24 O HETATM 1604 O HOH A 286 21.457 11.862 68.798 1.00 24.59 O HETATM 1605 O HOH A 287 5.095 47.824 22.489 1.00 24.63 O HETATM 1606 O HOH A 288 16.037 9.769 47.292 1.00 25.44 O HETATM 1607 O HOH A 289 3.897 35.344 34.520 1.00 26.08 O HETATM 1608 O HOH A 290 18.632 27.436 18.957 1.00 26.12 O HETATM 1609 O HOH A 291 1.345 30.966 40.241 1.00 26.54 O HETATM 1610 O HOH A 292 15.999 3.005 67.291 1.00 26.69 O HETATM 1611 O HOH A 293 13.177 20.160 53.991 1.00 26.75 O HETATM 1612 O HOH A 294 4.206 36.336 18.800 1.00 27.01 O HETATM 1613 O HOH A 295 29.182 6.070 72.295 1.00 27.22 O HETATM 1614 O HOH A 296 16.593 11.935 58.745 1.00 27.40 O HETATM 1615 O HOH A 297 19.915 11.105 64.729 1.00 27.58 O HETATM 1616 O HOH A 298 6.361 24.954 24.260 1.00 27.89 O HETATM 1617 O HOH A 299 11.474 43.315 16.499 1.00 27.91 O HETATM 1618 O HOH A 300 14.778 40.493 17.819 1.00 28.08 O HETATM 1619 O HOH A 301 8.208 30.401 18.243 1.00 28.29 O HETATM 1620 O HOH A 302 15.242 0.937 71.311 1.00 28.95 O HETATM 1621 O HOH A 303 7.611 38.649 25.766 1.00 29.23 O HETATM 1622 O HOH A 304 3.015 13.585 49.130 1.00 29.56 O HETATM 1623 O HOH A 305 18.585 7.073 59.244 1.00 30.42 O HETATM 1624 O HOH A 306 11.888 19.236 50.747 1.00 30.92 O HETATM 1625 O HOH A 307 16.914 9.413 44.511 1.00 30.97 O HETATM 1626 O HOH A 308 23.986 9.360 74.196 1.00 31.19 O HETATM 1627 O HOH A 309 15.604 18.782 52.718 1.00 31.46 O HETATM 1628 O HOH A 310 11.722 33.241 17.349 1.00 33.17 O HETATM 1629 O HOH A 311 14.880 11.527 45.310 1.00 33.42 O HETATM 1630 O HOH A 312 10.606 23.780 69.967 1.00 33.94 O HETATM 1631 O HOH A 313 14.479 16.161 78.631 1.00 34.27 O HETATM 1632 O HOH A 314 16.936 21.112 73.856 1.00 34.34 O HETATM 1633 O HOH A 315 12.909 1.041 67.135 1.00 34.52 O HETATM 1634 O HOH A 316 13.904 55.090 27.405 1.00 35.79 O HETATM 1635 O HOH A 317 30.969 4.560 75.583 1.00 37.54 O HETATM 1636 O HOH A 318 17.263 -0.301 72.995 1.00 38.69 O HETATM 1637 O HOH A 319 8.910 0.677 70.090 1.00 38.73 O HETATM 1638 O HOH A 320 21.864 28.790 27.003 1.00 44.14 O CONECT 173 630 CONECT 630 173 CONECT 948 1380 CONECT 973 1568 CONECT 1380 948 CONECT 1568 973 1573 1599 1606 CONECT 1568 1625 1629 CONECT 1573 1568 CONECT 1599 1568 CONECT 1606 1568 CONECT 1625 1568 CONECT 1629 1568 END