USER MOD reduce.3.24.130724 H: found=0, std=0, add=1432, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ISOMERASE 14-DEC-17 6F94 TITLE CRYSTAL STRUCTURE OF E. COLI GYRASEB 24KDA IN COMPLEX WITH 6- TITLE 2 [(ETHYLCARBAMOYL)AMINO]-4-[(3-METHYPHENYL)AMINO]-N-(3-METHYPHENYL) TITLE 3 PYRIDINE-3-CARBOXAMIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA GYRASE SUBUNIT B; COMPND 3 CHAIN: A; COMPND 4 EC: 5.99.1.3; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7; SOURCE 3 ORGANISM_TAXID: 83334; SOURCE 4 GENE: GYRB, Z5190, ECS4634; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS BINDING SITES, DNA GYRASE, INHIBITORS, PYRIDINE-3-CARBOXAMIDES, KEYWDS 2 TOPOISOMERASE IV, ISOMERASE EXPDTA X-RAY DIFFRACTION AUTHOR S.K.NARRAMORE,C.E.M.STEVENSON,D.M.LAWSON,A.MAXWELL,C.W.G.FISHWICK REVDAT 1 26-JUN-19 6F94 0 JRNL AUTH S.K.NARRAMORE,C.E.M.STEVENSON,D.M.LAWSON,A.MAXWELL, JRNL AUTH 2 C.W.G.FISHWICK JRNL TITL NEW INSIGHTS INTO THE BINDING MODE OF JRNL TITL 2 PYRIDINE-3-CARBOXAMIDES: INHIBITORS OF DNA GYRASE AND JRNL TITL 3 TOPOISOMERASE IV JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 2.35 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.35 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.68 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 11539 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.210 REMARK 3 R VALUE (WORKING SET) : 0.208 REMARK 3 FREE R VALUE : 0.252 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 570 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1439 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 30 REMARK 3 SOLVENT ATOMS : 88 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 34.80 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 48.22 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.35000 REMARK 3 B22 (A**2) : 0.35000 REMARK 3 B33 (A**2) : -1.14000 REMARK 3 B12 (A**2) : 0.18000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.273 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.223 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.194 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 16.511 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : NULL ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; 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 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS U VALUES : WITH TLS ADDED REMARK 4 REMARK 4 6F94 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 14-DEC-17. REMARK 100 THE DEPOSITION ID IS D_1200007955. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-FEB-17 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I04 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795 REMARK 200 MONOCHROMATOR : MIRRORS REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M-F REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12122 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.350 REMARK 200 RESOLUTION RANGE LOW (A) : 49.680 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 9.700 REMARK 200 R MERGE (I) : 0.19800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.35 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.41 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 10.20 REMARK 200 R MERGE FOR SHELL (I) : 1.57000 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: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: 6F86 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 58.40 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.96 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25-30% PEG 400 AND 100 MM HEPES PH REMARK 280 6.5., VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 33.35333 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 16.67667 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 16.67667 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 33.35333 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9040 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL 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 SER A 0 REMARK 465 MET A 1 REMARK 465 SER A 2 REMARK 465 ASN A 3 REMARK 465 SER A 4 REMARK 465 TYR A 5 REMARK 465 ASP A 6 REMARK 465 SER A 7 REMARK 465 SER A 8 REMARK 465 SER A 9 REMARK 465 ILE A 10 REMARK 465 LYS A 11 REMARK 465 VAL A 12 REMARK 465 LEU A 13 REMARK 465 LYS A 14 REMARK 465 HIS A 99 REMARK 465 ALA A 100 REMARK 465 GLY A 101 REMARK 465 GLY A 102 REMARK 465 LYS A 103 REMARK 465 PHE A 104 REMARK 465 ASP A 105 REMARK 465 ASP A 106 REMARK 465 ASN A 107 REMARK 465 SER A 108 REMARK 465 TYR A 109 REMARK 465 LYS A 110 REMARK 465 VAL A 111 REMARK 465 SER A 112 REMARK 465 GLY A 113 REMARK 465 GLY A 114 REMARK 465 LEU A 115 REMARK 465 HIS A 116 REMARK 465 GLY A 220 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASP A 17 CG OD1 OD2 REMARK 470 LYS A 21 CE NZ REMARK 470 ARG A 22 CG CD NE CZ NH1 NH2 REMARK 470 LYS A 57 CE NZ REMARK 470 LYS A 162 CD CE NZ 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 ASN A 178 -58.72 72.90 REMARK 500 ASP A 210 13.46 -143.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue D0H A 500 DBREF 6F94 A 1 220 UNP P0AES7 GYRB_ECO57 1 220 SEQADV 6F94 SER A 0 UNP P0AES7 EXPRESSION TAG SEQRES 1 A 221 SER MET SER ASN SER TYR ASP SER SER SER ILE LYS VAL SEQRES 2 A 221 LEU LYS GLY LEU ASP ALA VAL ARG LYS ARG PRO GLY MET SEQRES 3 A 221 TYR ILE GLY ASP THR ASP ASP GLY THR GLY LEU HIS HIS SEQRES 4 A 221 MET VAL PHE GLU VAL VAL ASP ASN ALA ILE ASP GLU ALA SEQRES 5 A 221 LEU ALA GLY HIS CYS LYS GLU ILE ILE VAL THR ILE HIS SEQRES 6 A 221 ALA ASP ASN SER VAL SER VAL GLN ASP ASP GLY ARG GLY SEQRES 7 A 221 ILE PRO THR GLY ILE HIS PRO GLU GLU GLY VAL SER ALA SEQRES 8 A 221 ALA GLU VAL ILE MET THR VAL LEU HIS ALA GLY GLY LYS SEQRES 9 A 221 PHE ASP ASP ASN SER TYR LYS VAL SER GLY GLY LEU HIS SEQRES 10 A 221 GLY VAL GLY VAL SER VAL VAL ASN ALA LEU SER GLN LYS SEQRES 11 A 221 LEU GLU LEU VAL ILE GLN ARG GLU GLY LYS ILE HIS ARG SEQRES 12 A 221 GLN ILE TYR GLU HIS GLY VAL PRO GLN ALA PRO LEU ALA SEQRES 13 A 221 VAL THR GLY GLU THR GLU LYS THR GLY THR MET VAL ARG SEQRES 14 A 221 PHE TRP PRO SER LEU GLU THR PHE THR ASN VAL THR GLU SEQRES 15 A 221 PHE GLU TYR GLU ILE LEU ALA LYS ARG LEU ARG GLU LEU SEQRES 16 A 221 SER PHE LEU ASN SER GLY VAL SER ILE ARG LEU ARG ASP SEQRES 17 A 221 LYS ARG ASP GLY LYS GLU ASP HIS PHE HIS TYR GLU GLY HET D0H A 500 30 HETNAM D0H 6-(ETHYLCARBAMOYLAMINO)-~{N}-(3-METHYLPHENYL)-4-[(3- HETNAM 2 D0H METHYLPHENYL)AMINO]PYRIDINE-3-CARBOXAMIDE FORMUL 2 D0H C23 H25 N5 O2 FORMUL 3 HOH *88(H2 O) HELIX 1 AA1 GLY A 15 ARG A 22 1 8 HELIX 2 AA2 ARG A 22 GLY A 28 1 7 HELIX 3 AA3 GLY A 33 ALA A 53 1 21 HELIX 4 AA4 SER A 89 VAL A 97 1 9 HELIX 5 AA5 GLY A 119 LEU A 126 1 8 HELIX 6 AA6 GLU A 183 ASN A 198 1 16 SHEET 1 AA1 3 VAL A 149 PRO A 150 0 SHEET 2 AA1 3 LYS A 139 GLU A 146 -1 N GLU A 146 O VAL A 149 SHEET 3 AA1 3 ALA A 155 GLU A 159 -1 O THR A 157 N ILE A 140 SHEET 1 AA2 8 VAL A 149 PRO A 150 0 SHEET 2 AA2 8 LYS A 139 GLU A 146 -1 N GLU A 146 O VAL A 149 SHEET 3 AA2 8 SER A 127 ARG A 136 -1 N ILE A 134 O HIS A 141 SHEET 4 AA2 8 GLY A 164 PRO A 171 -1 O ARG A 168 N GLU A 131 SHEET 5 AA2 8 VAL A 69 ASP A 73 -1 N ASP A 73 O THR A 165 SHEET 6 AA2 8 GLU A 58 ILE A 63 -1 N ILE A 60 O GLN A 72 SHEET 7 AA2 8 SER A 202 ASP A 207 1 O ARG A 206 N ILE A 63 SHEET 8 AA2 8 GLU A 213 PHE A 216 -1 O PHE A 216 N ILE A 203 SITE *** AC1 15 VAL A 43 ASN A 46 ALA A 47 GLU A 50 SITE *** AC1 15 VAL A 71 ASP A 73 ARG A 76 GLY A 77 SITE *** AC1 15 ILE A 78 PRO A 79 ILE A 94 ARG A 136 SITE *** AC1 15 LEU A 197 HOH A 610 HOH A 633 CRYST1 99.360 99.360 50.030 90.00 90.00 120.00 P 32 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.010064 0.005811 0.000000 0.00000 SCALE2 0.000000 0.011621 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019988 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 202 SER OG : rot 75:sc= 1.35 USER MOD Set 1.2: A 215 HIS : no HE2:sc= 1.06 K(o=2.4,f=-5.2!) USER MOD Set 2.1: A 172 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 175 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 143 GLN : amide:sc= 2.48 K(o=3.7,f=-2.5!) USER MOD Set 3.2: A 145 TYR OH : rot -136:sc= 1.22 USER MOD Set 4.1: A 135 GLN : amide:sc= 1.05 K(o=2.7,f=0.29) USER MOD Set 4.2: A 160 THR OG1 : rot 169:sc= 1.66 USER MOD Set 5.1: A 64 HIS : no HE2:sc= 1.02 K(o=3.2,f=-4!) USER MOD Set 5.2: A 70 SER OG : rot -110:sc= 2.19 USER MOD Set 6.1: A 39 MET CE :methyl -123:sc=-0.00921 (180deg=-0.861) USER MOD Set 6.2: A 127 SER OG : rot 72:sc= 1.28 USER MOD Single : A 25 MET CE :methyl -159:sc= -0.0302 (180deg=-0.636) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 74:sc= 0.369 USER MOD Single : A 37 HIS : no HD1:sc= -2.64! K(o=-2.6!,f=0.15) USER MOD Single : A 38 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.39) USER MOD Single : A 46 ASN : amide:sc= -0.0698 K(o=-0.07,f=-1.1!) USER MOD Single : A 55 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-0.13) USER MOD Single : A 56 CYS SG : rot 35:sc= -1.18 USER MOD Single : A 62 THR OG1 : rot 58:sc= 1.53 USER MOD Single : A 67 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.64) USER MOD Single : A 68 SER OG : rot -71:sc= 1.68 USER MOD Single : A 72 GLN : amide:sc= -0.252 K(o=-0.25,f=0.28) USER MOD Single : A 80 THR OG1 : rot 172:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 95 MET CE :methyl -167:sc= -0.118 (180deg=-0.439) USER MOD Single : A 96 THR OG1 : rot -99:sc= 1.3 USER MOD Single : A 121 SER OG : rot -166:sc= 0.622 USER MOD Single : A 124 ASN : amide:sc= 0.191 K(o=0.19,f=-6.7!) USER MOD Single : A 128 GLN : amide:sc=-0.00496 X(o=-0.005,f=-0.27) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.13) USER MOD Single : A 147 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.41) USER MOD Single : A 151 GLN : amide:sc= 0.316 K(o=0.32,f=-0.24) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 165 THR OG1 : rot 94:sc= 1.33 USER MOD Single : A 166 MET CE :methyl 164:sc= 0 (180deg=-0.104) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 ASN : amide:sc= 1.06 K(o=1.1,f=-0.096) USER MOD Single : A 180 THR OG1 : rot 180:sc= 0 USER MOD Single : A 184 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 SER OG A: rot 68:sc= -1.51 USER MOD Single : A 195 SER OG B: rot -34:sc= 1.04 USER MOD Single : A 198 ASN : amide:sc= 0.307 K(o=0.31,f=-2.9!) USER MOD Single : A 199 SER OG : rot 26:sc= 0.603 USER MOD Single : A 208 LYS NZ :NH3+ 153:sc= -0.128 (180deg=-0.475) USER MOD Single : A 212 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.109) USER MOD Single : A 217 HIS A: no HD1:sc= -0.169 K(o=-0.17,f=-0.81) USER MOD Single : A 217 HIS B: no HD1:sc= -0.908 X(o=-0.91,f=-0.88) USER MOD Single : A 218 TYR OH : rot 180:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 69.060 11.299 49.470 1.00 94.21 N ANISOU 1 N GLY A 15 17196 7582 11015 36 309 1194 N ATOM 2 CA GLY A 15 67.879 12.177 49.732 1.00 91.43 C ANISOU 2 CA GLY A 15 16619 7566 10554 -569 568 1097 C ATOM 3 C GLY A 15 68.148 13.596 49.275 1.00 87.45 C ANISOU 3 C GLY A 15 15351 7750 10123 -475 464 989 C ATOM 4 O GLY A 15 67.394 14.170 48.477 1.00 84.69 O ANISOU 4 O GLY A 15 14549 7721 9906 -744 639 734 O ATOM 0 HA2 GLY A 15 67.102 11.826 49.270 1.00 91.43 H new ATOM 0 HA3 GLY A 15 67.672 12.172 50.680 1.00 91.43 H new ATOM 5 N LEU A 16 69.236 14.165 49.787 1.00 87.43 N ANISOU 5 N LEU A 16 15220 7958 10041 -110 132 1208 N ATOM 6 CA LEU A 16 69.756 15.424 49.263 1.00 83.48 C ANISOU 6 CA LEU A 16 14030 8055 9631 32 -10 1123 C ATOM 7 C LEU A 16 70.348 15.185 47.861 1.00 82.81 C ANISOU 7 C LEU A 16 13538 8101 9825 375 -12 902 C ATOM 8 O LEU A 16 70.398 16.118 47.054 1.00 80.54 O ANISOU 8 O LEU A 16 12714 8270 9616 352 14 735 O ATOM 9 CB LEU A 16 70.808 16.035 50.205 1.00 84.45 C ANISOU 9 CB LEU A 16 14143 8340 9603 259 -414 1427 C ATOM 10 CG LEU A 16 70.449 16.300 51.682 1.00 86.92 C ANISOU 10 CG LEU A 16 15020 8491 9514 -51 -460 1667 C ATOM 11 CD1 LEU A 16 71.706 16.473 52.536 1.00 90.43 C ANISOU 11 CD1 LEU A 16 15594 8958 9807 233 -1032 2010 C ATOM 12 CD2 LEU A 16 69.521 17.498 51.851 1.00 82.79 C ANISOU 12 CD2 LEU A 16 14322 8277 8855 -477 -158 1512 C ATOM 0 H LEU A 16 69.689 13.837 50.440 1.00 87.43 H new ATOM 0 HA LEU A 16 69.026 16.060 49.200 1.00 83.48 H new ATOM 0 HB2 LEU A 16 71.581 15.449 50.195 1.00 84.45 H new ATOM 0 HB3 LEU A 16 71.087 16.880 49.819 1.00 84.45 H new ATOM 0 HG LEU A 16 69.969 15.517 51.992 1.00 86.92 H new ATOM 0 HD11 LEU A 16 71.451 16.638 53.457 1.00 90.43 H new ATOM 0 HD12 LEU A 16 72.243 15.667 52.489 1.00 90.43 H new ATOM 0 HD13 LEU A 16 72.222 17.224 52.204 1.00 90.43 H new ATOM 0 HD21 LEU A 16 69.324 17.625 52.792 1.00 82.79 H new ATOM 0 HD22 LEU A 16 69.952 18.293 51.501 1.00 82.79 H new ATOM 0 HD23 LEU A 16 68.696 17.339 51.367 1.00 82.79 H new ATOM 13 N ASP A 17 70.793 13.948 47.583 1.00 86.26 N ANISOU 13 N ASP A 17 14300 8094 10380 695 -7 901 N ATOM 14 CA ASP A 17 71.233 13.540 46.232 1.00 86.11 C ANISOU 14 CA ASP A 17 14068 8076 10571 995 127 635 C ATOM 15 C ASP A 17 70.116 13.643 45.181 1.00 82.54 C ANISOU 15 C ASP A 17 13564 7715 10082 549 388 278 C ATOM 16 O ASP A 17 70.375 14.020 44.036 1.00 80.80 O ANISOU 16 O ASP A 17 13008 7775 9915 646 463 52 O ATOM 17 CB ASP A 17 71.792 12.113 46.244 1.00 91.96 C ANISOU 17 CB ASP A 17 15309 8194 11436 1420 144 690 C ATOM 0 H ASP A 17 70.849 13.322 48.171 1.00 86.26 H new ATOM 0 HA ASP A 17 71.932 14.163 45.980 1.00 86.11 H new ATOM 18 N ALA A 18 68.890 13.301 45.579 1.00 81.56 N ANISOU 18 N ALA A 18 13772 7351 9864 39 511 249 N ATOM 19 CA ALA A 18 67.713 13.383 44.709 1.00 79.79 C ANISOU 19 CA ALA A 18 13444 7216 9654 -454 657 -36 C ATOM 20 C ALA A 18 67.394 14.822 44.298 1.00 74.35 C ANISOU 20 C ALA A 18 12113 7154 8982 -612 596 -96 C ATOM 21 O ALA A 18 67.005 15.090 43.158 1.00 73.57 O ANISOU 21 O ALA A 18 11794 7256 8901 -769 584 -330 O ATOM 22 CB ALA A 18 66.509 12.761 45.400 1.00 81.99 C ANISOU 22 CB ALA A 18 14104 7136 9912 -986 813 6 C ATOM 0 H ALA A 18 68.716 13.012 46.370 1.00 81.56 H new ATOM 0 HA ALA A 18 67.918 12.889 43.900 1.00 79.79 H new ATOM 0 HB1 ALA A 18 65.735 12.820 44.818 1.00 81.99 H new ATOM 0 HB2 ALA A 18 66.695 11.830 45.598 1.00 81.99 H new ATOM 0 HB3 ALA A 18 66.328 13.237 46.226 1.00 81.99 H new ATOM 23 N VAL A 19 67.572 15.751 45.222 1.00 71.72 N ANISOU 23 N VAL A 19 11555 7088 8605 -575 531 121 N ATOM 24 CA VAL A 19 67.270 17.145 44.940 1.00 67.82 C ANISOU 24 CA VAL A 19 10529 7107 8132 -700 488 86 C ATOM 25 C VAL A 19 68.312 17.723 43.997 1.00 65.55 C ANISOU 25 C VAL A 19 9909 7150 7846 -360 357 17 C ATOM 26 O VAL A 19 67.951 18.468 43.098 1.00 62.95 O ANISOU 26 O VAL A 19 9264 7127 7525 -494 334 -121 O ATOM 27 CB VAL A 19 67.153 18.003 46.216 1.00 66.95 C ANISOU 27 CB VAL A 19 10385 7122 7929 -783 504 305 C ATOM 28 CG1 VAL A 19 66.773 19.442 45.859 1.00 63.34 C ANISOU 28 CG1 VAL A 19 9430 7113 7521 -892 492 248 C ATOM 29 CG2 VAL A 19 66.133 17.392 47.169 1.00 69.63 C ANISOU 29 CG2 VAL A 19 11104 7113 8237 -1142 750 375 C ATOM 0 H VAL A 19 67.865 15.598 46.016 1.00 71.72 H new ATOM 0 HA VAL A 19 66.399 17.168 44.513 1.00 67.82 H new ATOM 0 HB VAL A 19 68.014 18.021 46.661 1.00 66.95 H new ATOM 0 HG11 VAL A 19 66.703 19.969 46.670 1.00 63.34 H new ATOM 0 HG12 VAL A 19 67.454 19.824 45.284 1.00 63.34 H new ATOM 0 HG13 VAL A 19 65.920 19.446 45.397 1.00 63.34 H new ATOM 0 HG21 VAL A 19 66.067 17.939 47.967 1.00 69.63 H new ATOM 0 HG22 VAL A 19 65.267 17.351 46.734 1.00 69.63 H new ATOM 0 HG23 VAL A 19 66.414 16.496 47.414 1.00 69.63 H new ATOM 30 N ARG A 20 69.584 17.362 44.188 1.00 67.62 N ANISOU 30 N ARG A 20 10232 7337 8120 72 277 131 N ATOM 31 CA ARG A 20 70.664 17.775 43.264 1.00 68.33 C ANISOU 31 CA ARG A 20 9974 7720 8264 401 255 62 C ATOM 32 C ARG A 20 70.579 17.176 41.861 1.00 68.98 C ANISOU 32 C ARG A 20 10178 7701 8328 429 439 -237 C ATOM 33 O ARG A 20 70.930 17.838 40.904 1.00 66.92 O ANISOU 33 O ARG A 20 9648 7760 8016 466 490 -351 O ATOM 34 CB ARG A 20 72.036 17.460 43.847 1.00 72.20 C ANISOU 34 CB ARG A 20 10399 8152 8879 877 129 280 C ATOM 35 CG ARG A 20 72.375 18.285 45.076 1.00 72.13 C ANISOU 35 CG ARG A 20 10252 8335 8817 831 -145 573 C ATOM 36 CD ARG A 20 73.648 17.789 45.744 1.00 77.48 C ANISOU 36 CD ARG A 20 10895 8898 9645 1275 -396 837 C ATOM 37 NE ARG A 20 73.443 17.646 47.186 1.00 80.15 N ANISOU 37 NE ARG A 20 11642 9004 9804 1148 -648 1107 N ATOM 38 CZ ARG A 20 74.062 16.766 47.982 1.00 86.28 C ANISOU 38 CZ ARG A 20 12719 9435 10627 1451 -899 1366 C ATOM 39 NH1 ARG A 20 73.764 16.748 49.281 1.00 87.26 N ANISOU 39 NH1 ARG A 20 13329 9353 10472 1239 -1118 1608 N ATOM 40 NH2 ARG A 20 74.975 15.904 47.515 1.00 90.95 N ANISOU 40 NH2 ARG A 20 13175 9851 11529 1980 -921 1397 N ATOM 0 H ARG A 20 69.849 16.877 44.847 1.00 67.62 H new ATOM 0 HA ARG A 20 70.538 18.732 43.167 1.00 68.33 H new ATOM 0 HB2 ARG A 20 72.073 16.519 44.078 1.00 72.20 H new ATOM 0 HB3 ARG A 20 72.711 17.612 43.167 1.00 72.20 H new ATOM 0 HG2 ARG A 20 72.482 19.215 44.824 1.00 72.13 H new ATOM 0 HG3 ARG A 20 71.640 18.245 45.707 1.00 72.13 H new ATOM 0 HD2 ARG A 20 73.910 16.937 45.362 1.00 77.48 H new ATOM 0 HD3 ARG A 20 74.373 18.411 45.574 1.00 77.48 H new ATOM 0 HE ARG A 20 72.874 18.175 47.555 1.00 80.15 H new ATOM 0 HH11 ARG A 20 73.182 17.297 49.596 1.00 87.26 H new ATOM 0 HH12 ARG A 20 74.154 16.188 49.804 1.00 87.26 H new ATOM 0 HH21 ARG A 20 75.180 15.905 46.680 1.00 90.95 H new ATOM 0 HH22 ARG A 20 75.357 15.350 48.051 1.00 90.95 H new ATOM 41 N LYS A 21 70.127 15.926 41.752 1.00 73.51 N ANISOU 41 N LYS A 21 11240 7794 8895 377 546 -365 N ATOM 42 CA LYS A 21 69.939 15.265 40.441 1.00 76.04 C ANISOU 42 CA LYS A 21 11846 7927 9116 324 712 -691 C ATOM 43 C LYS A 21 68.829 15.908 39.597 1.00 72.83 C ANISOU 43 C LYS A 21 11331 7776 8562 -184 614 -867 C ATOM 44 O LYS A 21 68.987 16.034 38.385 1.00 74.15 O ANISOU 44 O LYS A 21 11558 8053 8561 -198 673 -1083 O ATOM 45 CB LYS A 21 69.695 13.745 40.586 1.00 81.14 C ANISOU 45 CB LYS A 21 13139 7912 9776 339 828 -790 C ATOM 46 CG LYS A 21 70.890 12.883 40.182 1.00 86.31 C ANISOU 46 CG LYS A 21 14037 8242 10512 933 1053 -873 C ATOM 47 CD LYS A 21 72.110 13.123 41.065 1.00 86.66 C ANISOU 47 CD LYS A 21 13711 8416 10799 1488 971 -549 C ATOM 0 H LYS A 21 69.920 15.434 42.426 1.00 73.51 H new ATOM 0 HA LYS A 21 70.774 15.395 39.965 1.00 76.04 H new ATOM 0 HB2 LYS A 21 69.464 13.550 41.508 1.00 81.14 H new ATOM 0 HB3 LYS A 21 68.930 13.496 40.044 1.00 81.14 H new ATOM 0 HG2 LYS A 21 70.640 11.947 40.229 1.00 86.31 H new ATOM 0 HG3 LYS A 21 71.121 13.069 39.259 1.00 86.31 H new ATOM 48 N ARG A 22 67.732 16.323 40.230 1.00 69.43 N ANISOU 48 N ARG A 22 10746 7432 8200 -582 471 -760 N ATOM 49 CA ARG A 22 66.625 16.979 39.531 1.00 67.46 C ANISOU 49 CA ARG A 22 10278 7436 7918 -1023 305 -863 C ATOM 50 C ARG A 22 66.218 18.287 40.241 1.00 62.42 C ANISOU 50 C ARG A 22 9132 7177 7406 -1104 211 -648 C ATOM 51 O ARG A 22 65.129 18.390 40.783 1.00 62.32 O ANISOU 51 O ARG A 22 8983 7140 7554 -1422 194 -590 O ATOM 52 CB ARG A 22 65.446 15.997 39.395 1.00 71.49 C ANISOU 52 CB ARG A 22 11098 7590 8474 -1491 259 -1006 C ATOM 0 H ARG A 22 67.608 16.233 41.076 1.00 69.43 H new ATOM 0 HA ARG A 22 66.912 17.229 38.639 1.00 67.46 H new ATOM 53 N PRO A 23 67.097 19.299 40.229 1.00 59.28 N ANISOU 53 N PRO A 23 8459 7110 6954 -825 191 -539 N ATOM 54 CA PRO A 23 66.830 20.558 40.932 1.00 56.84 C ANISOU 54 CA PRO A 23 7783 7086 6728 -873 130 -353 C ATOM 55 C PRO A 23 65.597 21.300 40.454 1.00 57.81 C ANISOU 55 C PRO A 23 7627 7387 6950 -1184 -8 -385 C ATOM 56 O PRO A 23 64.874 21.891 41.262 1.00 57.31 O ANISOU 56 O PRO A 23 7346 7370 7059 -1296 39 -270 O ATOM 57 CB PRO A 23 68.067 21.414 40.624 1.00 55.27 C ANISOU 57 CB PRO A 23 7398 7181 6421 -586 104 -282 C ATOM 58 CG PRO A 23 69.098 20.481 40.116 1.00 57.73 C ANISOU 58 CG PRO A 23 7918 7346 6669 -306 225 -381 C ATOM 59 CD PRO A 23 68.351 19.367 39.462 1.00 60.22 C ANISOU 59 CD PRO A 23 8596 7347 6936 -492 265 -603 C ATOM 0 HA PRO A 23 66.665 20.380 41.871 1.00 56.84 H new ATOM 0 HB2 PRO A 23 67.861 22.095 39.965 1.00 55.27 H new ATOM 0 HB3 PRO A 23 68.377 21.873 41.420 1.00 55.27 H new ATOM 0 HG2 PRO A 23 69.687 20.923 39.484 1.00 57.73 H new ATOM 0 HG3 PRO A 23 69.654 20.150 40.838 1.00 57.73 H new ATOM 0 HD2 PRO A 23 68.187 19.550 38.524 1.00 60.22 H new ATOM 0 HD3 PRO A 23 68.843 18.532 39.507 1.00 60.22 H new ATOM 60 N GLY A 24 65.390 21.293 39.142 1.00 60.60 N ANISOU 60 N GLY A 24 8007 7828 7189 -1300 -179 -534 N ATOM 61 CA GLY A 24 64.246 21.920 38.524 1.00 61.85 C ANISOU 61 CA GLY A 24 7899 8147 7455 -1577 -434 -538 C ATOM 62 C GLY A 24 62.922 21.454 39.086 1.00 65.37 C ANISOU 62 C GLY A 24 8171 8442 8223 -1894 -438 -529 C ATOM 63 O GLY A 24 61.996 22.256 39.191 1.00 67.35 O ANISOU 63 O GLY A 24 7994 8856 8740 -2005 -548 -430 O ATOM 0 H GLY A 24 65.923 20.916 38.582 1.00 60.60 H new ATOM 0 HA2 GLY A 24 64.315 22.881 38.634 1.00 61.85 H new ATOM 0 HA3 GLY A 24 64.265 21.742 37.571 1.00 61.85 H new ATOM 64 N MET A 25 62.818 20.172 39.441 1.00 68.05 N ANISOU 64 N MET A 25 8825 8453 8577 -2036 -292 -622 N ATOM 65 CA MET A 25 61.586 19.658 40.047 1.00 72.10 C ANISOU 65 CA MET A 25 9176 8804 9414 -2406 -218 -602 C ATOM 66 C MET A 25 61.265 20.399 41.339 1.00 69.89 C ANISOU 66 C MET A 25 8586 8602 9364 -2318 68 -412 C ATOM 67 O MET A 25 60.112 20.757 41.596 1.00 70.96 O ANISOU 67 O MET A 25 8280 8819 9861 -2544 115 -357 O ATOM 68 CB MET A 25 61.676 18.159 40.366 1.00 76.47 C ANISOU 68 CB MET A 25 10239 8915 9897 -2567 -48 -703 C ATOM 69 CG MET A 25 61.772 17.239 39.165 1.00 80.91 C ANISOU 69 CG MET A 25 11222 9276 10242 -2744 -264 -942 C ATOM 70 SD MET A 25 60.858 15.695 39.386 1.00 89.70 S ANISOU 70 SD MET A 25 12702 9886 11492 -3294 -202 -1061 S ATOM 71 CE MET A 25 61.287 15.208 41.064 1.00 87.82 C ANISOU 71 CE MET A 25 12718 9335 11314 -3087 271 -859 C ATOM 0 H MET A 25 63.442 19.588 39.341 1.00 68.05 H new ATOM 0 HA MET A 25 60.885 19.800 39.392 1.00 72.10 H new ATOM 0 HB2 MET A 25 62.451 18.011 40.930 1.00 76.47 H new ATOM 0 HB3 MET A 25 60.896 17.907 40.885 1.00 76.47 H new ATOM 0 HG2 MET A 25 61.433 17.701 38.382 1.00 80.91 H new ATOM 0 HG3 MET A 25 62.705 17.036 38.993 1.00 80.91 H new ATOM 0 HE1 MET A 25 61.131 14.257 41.175 1.00 87.82 H new ATOM 0 HE2 MET A 25 62.223 15.403 41.229 1.00 87.82 H new ATOM 0 HE3 MET A 25 60.739 15.701 41.694 1.00 87.82 H new ATOM 72 N TYR A 26 62.293 20.635 42.146 1.00 66.67 N ANISOU 72 N TYR A 26 8414 8162 8754 -1991 264 -314 N ATOM 73 CA TYR A 26 62.086 21.200 43.467 1.00 65.82 C ANISOU 73 CA TYR A 26 8229 8042 8736 -1944 567 -161 C ATOM 74 C TYR A 26 61.980 22.717 43.473 1.00 62.86 C ANISOU 74 C TYR A 26 7475 7962 8444 -1779 533 -82 C ATOM 75 O TYR A 26 61.025 23.267 44.003 1.00 64.76 O ANISOU 75 O TYR A 26 7413 8229 8963 -1876 746 -33 O ATOM 76 CB TYR A 26 63.156 20.684 44.431 1.00 64.58 C ANISOU 76 CB TYR A 26 8574 7663 8299 -1740 710 -67 C ATOM 77 CG TYR A 26 63.056 19.186 44.593 1.00 67.04 C ANISOU 77 CG TYR A 26 9307 7583 8580 -1909 798 -111 C ATOM 78 CD1 TYR A 26 62.140 18.622 45.483 1.00 69.59 C ANISOU 78 CD1 TYR A 26 9765 7648 9027 -2239 1107 -57 C ATOM 79 CD2 TYR A 26 63.836 18.331 43.819 1.00 67.74 C ANISOU 79 CD2 TYR A 26 9690 7521 8525 -1755 627 -217 C ATOM 80 CE1 TYR A 26 62.026 17.246 45.617 1.00 72.90 C ANISOU 80 CE1 TYR A 26 10640 7651 9408 -2441 1187 -84 C ATOM 81 CE2 TYR A 26 63.733 16.952 43.944 1.00 70.57 C ANISOU 81 CE2 TYR A 26 10514 7439 8858 -1895 713 -266 C ATOM 82 CZ TYR A 26 62.827 16.417 44.841 1.00 73.30 C ANISOU 82 CZ TYR A 26 11021 7517 9311 -2256 964 -189 C ATOM 83 OH TYR A 26 62.721 15.062 44.960 1.00 76.49 O ANISOU 83 OH TYR A 26 11952 7434 9674 -2435 1048 -222 O ATOM 0 H TYR A 26 63.114 20.475 41.946 1.00 66.67 H new ATOM 0 HA TYR A 26 61.219 20.896 43.777 1.00 65.82 H new ATOM 0 HB2 TYR A 26 64.037 20.919 44.099 1.00 64.58 H new ATOM 0 HB3 TYR A 26 63.054 21.114 45.294 1.00 64.58 H new ATOM 0 HD1 TYR A 26 61.597 19.178 45.994 1.00 69.59 H new ATOM 0 HD2 TYR A 26 64.437 18.690 43.207 1.00 67.74 H new ATOM 0 HE1 TYR A 26 61.419 16.882 46.220 1.00 72.90 H new ATOM 0 HE2 TYR A 26 64.269 16.393 43.429 1.00 70.57 H new ATOM 0 HH TYR A 26 63.261 14.691 44.434 1.00 76.49 H new ATOM 84 N ILE A 27 62.938 23.396 42.875 1.00 60.23 N ANISOU 84 N ILE A 27 7163 7824 7896 -1531 311 -71 N ATOM 85 CA ILE A 27 63.108 24.827 43.136 1.00 58.35 C ANISOU 85 CA ILE A 27 6746 7770 7653 -1359 320 27 C ATOM 86 C ILE A 27 62.534 25.742 42.040 1.00 59.45 C ANISOU 86 C ILE A 27 6508 8127 7952 -1355 54 27 C ATOM 87 O ILE A 27 62.339 26.931 42.285 1.00 60.09 O ANISOU 87 O ILE A 27 6420 8284 8125 -1233 95 113 O ATOM 88 CB ILE A 27 64.601 25.117 43.408 1.00 56.33 C ANISOU 88 CB ILE A 27 6762 7569 7069 -1131 264 92 C ATOM 89 CG1 ILE A 27 64.783 26.356 44.277 1.00 55.89 C ANISOU 89 CG1 ILE A 27 6724 7555 6955 -1049 372 199 C ATOM 90 CG2 ILE A 27 65.400 25.239 42.107 1.00 56.16 C ANISOU 90 CG2 ILE A 27 6698 7741 6896 -1028 7 40 C ATOM 91 CD1 ILE A 27 64.243 26.240 45.692 1.00 57.72 C ANISOU 91 CD1 ILE A 27 7169 7559 7201 -1140 715 241 C ATOM 0 H ILE A 27 63.500 23.059 42.318 1.00 60.23 H new ATOM 0 HA ILE A 27 62.583 25.041 43.923 1.00 58.35 H new ATOM 0 HB ILE A 27 64.952 24.357 43.899 1.00 56.33 H new ATOM 0 HG12 ILE A 27 65.729 26.564 44.324 1.00 55.89 H new ATOM 0 HG13 ILE A 27 64.349 27.106 43.841 1.00 55.89 H new ATOM 0 HG21 ILE A 27 66.330 25.421 42.314 1.00 56.16 H new ATOM 0 HG22 ILE A 27 65.336 24.409 41.609 1.00 56.16 H new ATOM 0 HG23 ILE A 27 65.041 25.965 41.573 1.00 56.16 H new ATOM 0 HD11 ILE A 27 64.402 27.070 46.168 1.00 57.72 H new ATOM 0 HD12 ILE A 27 63.290 26.063 45.661 1.00 57.72 H new ATOM 0 HD13 ILE A 27 64.692 25.513 46.151 1.00 57.72 H new ATOM 92 N GLY A 28 62.231 25.184 40.862 1.00 60.92 N ANISOU 92 N GLY A 28 6634 8366 8146 -1499 -235 -63 N ATOM 93 CA GLY A 28 61.849 25.964 39.678 1.00 61.15 C ANISOU 93 CA GLY A 28 6436 8588 8211 -1508 -607 -34 C ATOM 94 C GLY A 28 62.991 25.953 38.680 1.00 59.70 C ANISOU 94 C GLY A 28 6583 8503 7595 -1428 -780 -88 C ATOM 95 O GLY A 28 64.007 25.285 38.908 1.00 59.60 O ANISOU 95 O GLY A 28 6870 8417 7357 -1338 -597 -158 O ATOM 0 H GLY A 28 62.242 24.335 40.727 1.00 60.92 H new ATOM 0 HA2 GLY A 28 61.050 25.589 39.275 1.00 61.15 H new ATOM 0 HA3 GLY A 28 61.637 26.876 39.933 1.00 61.15 H new ATOM 96 N ASP A 29 62.848 26.701 37.586 1.00 59.47 N ANISOU 96 N ASP A 29 6507 8627 7460 -1445 -1108 -39 N ATOM 97 CA ASP A 29 63.859 26.689 36.522 1.00 58.81 C ANISOU 97 CA ASP A 29 6781 8633 6928 -1423 -1200 -101 C ATOM 98 C ASP A 29 65.210 27.278 36.986 1.00 53.11 C ANISOU 98 C ASP A 29 6163 7991 6025 -1199 -926 -34 C ATOM 99 O ASP A 29 65.257 28.355 37.542 1.00 50.09 O ANISOU 99 O ASP A 29 5629 7658 5742 -1099 -893 111 O ATOM 100 CB ASP A 29 63.331 27.362 35.247 1.00 63.82 C ANISOU 100 CB ASP A 29 7439 9382 7426 -1545 -1641 -32 C ATOM 101 CG ASP A 29 62.186 26.555 34.583 1.00 71.20 C ANISOU 101 CG ASP A 29 8336 10253 8462 -1847 -2021 -121 C ATOM 102 OD1 ASP A 29 62.348 25.323 34.362 1.00 74.70 O ANISOU 102 OD1 ASP A 29 9077 10561 8742 -2013 -1944 -329 O ATOM 103 OD2 ASP A 29 61.114 27.145 34.282 1.00 75.32 O ANISOU 103 OD2 ASP A 29 8525 10839 9255 -1925 -2425 21 O ATOM 0 H ASP A 29 62.178 27.220 37.439 1.00 59.47 H new ATOM 0 HA ASP A 29 64.037 25.761 36.304 1.00 58.81 H new ATOM 0 HB2 ASP A 29 63.013 28.253 35.463 1.00 63.82 H new ATOM 0 HB3 ASP A 29 64.059 27.466 34.614 1.00 63.82 H new ATOM 104 N THR A 30 66.285 26.528 36.733 1.00 50.72 N ANISOU 104 N THR A 30 6110 7676 5483 -1131 -736 -149 N ATOM 105 CA THR A 30 67.631 26.798 37.224 1.00 48.49 C ANISOU 105 CA THR A 30 5827 7477 5117 -939 -494 -88 C ATOM 106 C THR A 30 68.511 27.661 36.307 1.00 48.79 C ANISOU 106 C THR A 30 5935 7718 4885 -938 -474 -33 C ATOM 107 O THR A 30 69.618 28.086 36.694 1.00 46.03 O ANISOU 107 O THR A 30 5483 7482 4522 -837 -307 51 O ATOM 108 CB THR A 30 68.378 25.461 37.447 1.00 48.93 C ANISOU 108 CB THR A 30 6037 7395 5157 -800 -268 -218 C ATOM 109 OG1 THR A 30 68.475 24.735 36.213 1.00 49.44 O ANISOU 109 OG1 THR A 30 6391 7408 4986 -853 -233 -410 O ATOM 110 CG2 THR A 30 67.660 24.609 38.498 1.00 48.94 C ANISOU 110 CG2 THR A 30 6049 7154 5389 -826 -242 -233 C ATOM 0 H THR A 30 66.244 25.818 36.249 1.00 50.72 H new ATOM 0 HA THR A 30 67.494 27.302 38.041 1.00 48.49 H new ATOM 0 HB THR A 30 69.271 25.661 37.768 1.00 48.93 H new ATOM 0 HG1 THR A 30 68.883 24.012 36.344 1.00 49.44 H new ATOM 0 HG21 THR A 30 68.142 23.777 38.624 1.00 48.94 H new ATOM 0 HG22 THR A 30 67.625 25.093 39.338 1.00 48.94 H new ATOM 0 HG23 THR A 30 66.758 24.418 38.198 1.00 48.94 H new ATOM 111 N ASP A 31 67.986 27.912 35.111 1.00 51.03 N ANISOU 111 N ASP A 31 6402 8038 4949 -1094 -672 -63 N ATOM 112 CA ASP A 31 68.683 28.541 34.004 1.00 53.19 C ANISOU 112 CA ASP A 31 6893 8454 4860 -1165 -625 -32 C ATOM 113 C ASP A 31 68.197 29.966 33.660 1.00 53.11 C ANISOU 113 C ASP A 31 6885 8506 4786 -1270 -910 181 C ATOM 114 O ASP A 31 68.730 30.572 32.754 1.00 57.42 O ANISOU 114 O ASP A 31 7678 9143 4996 -1374 -876 244 O ATOM 115 CB ASP A 31 68.543 27.636 32.774 1.00 57.79 C ANISOU 115 CB ASP A 31 7890 8966 5098 -1290 -634 -238 C ATOM 116 CG ASP A 31 67.064 27.280 32.447 1.00 61.75 C ANISOU 116 CG ASP A 31 8469 9341 5650 -1489 -1092 -280 C ATOM 117 OD1 ASP A 31 66.222 27.225 33.402 1.00 60.98 O ANISOU 117 OD1 ASP A 31 8018 9177 5972 -1461 -1234 -217 O ATOM 118 OD2 ASP A 31 66.747 27.036 31.245 1.00 64.87 O ANISOU 118 OD2 ASP A 31 9283 9702 5662 -1701 -1302 -375 O ATOM 0 H ASP A 31 67.173 27.708 34.918 1.00 51.03 H new ATOM 0 HA ASP A 31 69.608 28.646 34.278 1.00 53.19 H new ATOM 0 HB2 ASP A 31 68.942 28.077 32.007 1.00 57.79 H new ATOM 0 HB3 ASP A 31 69.042 26.818 32.922 1.00 57.79 H new ATOM 119 N ASP A 32 67.192 30.500 34.344 1.00 51.71 N ANISOU 119 N ASP A 32 6471 8249 4928 -1234 -1149 298 N ATOM 120 CA ASP A 32 66.664 31.839 34.033 1.00 53.23 C ANISOU 120 CA ASP A 32 6677 8425 5121 -1256 -1428 514 C ATOM 121 C ASP A 32 66.454 32.713 35.266 1.00 50.78 C ANISOU 121 C ASP A 32 6115 8023 5155 -1112 -1351 637 C ATOM 122 O ASP A 32 65.769 33.720 35.193 1.00 52.56 O ANISOU 122 O ASP A 32 6311 8152 5508 -1054 -1567 800 O ATOM 123 CB ASP A 32 65.336 31.713 33.269 1.00 57.23 C ANISOU 123 CB ASP A 32 7191 8874 5681 -1339 -1899 547 C ATOM 124 CG ASP A 32 64.181 31.160 34.145 1.00 58.16 C ANISOU 124 CG ASP A 32 6882 8900 6313 -1274 -1975 498 C ATOM 125 OD1 ASP A 32 64.390 30.765 35.320 1.00 54.69 O ANISOU 125 OD1 ASP A 32 6255 8413 6109 -1176 -1632 420 O ATOM 126 OD2 ASP A 32 63.039 31.112 33.636 1.00 62.43 O ANISOU 126 OD2 ASP A 32 7278 9416 7025 -1350 -2395 556 O ATOM 0 H ASP A 32 66.795 30.106 34.997 1.00 51.71 H new ATOM 0 HA ASP A 32 67.336 32.276 33.487 1.00 53.23 H new ATOM 0 HB2 ASP A 32 65.084 32.583 32.923 1.00 57.23 H new ATOM 0 HB3 ASP A 32 65.463 31.130 32.504 1.00 57.23 H new ATOM 127 N GLY A 33 67.024 32.327 36.401 1.00 48.18 N ANISOU 127 N GLY A 33 5658 7685 4960 -1042 -1056 563 N ATOM 128 CA GLY A 33 66.848 33.075 37.632 1.00 46.85 C ANISOU 128 CA GLY A 33 5384 7391 5025 -949 -949 640 C ATOM 129 C GLY A 33 65.715 32.659 38.543 1.00 46.16 C ANISOU 129 C GLY A 33 5080 7156 5301 -852 -887 585 C ATOM 130 O GLY A 33 65.832 32.861 39.727 1.00 45.57 O ANISOU 130 O GLY A 33 5020 6972 5320 -802 -669 581 O ATOM 0 H GLY A 33 67.520 31.629 36.477 1.00 48.18 H new ATOM 0 HA2 GLY A 33 67.674 33.020 38.137 1.00 46.85 H new ATOM 0 HA3 GLY A 33 66.719 34.008 37.400 1.00 46.85 H new ATOM 131 N THR A 34 64.639 32.073 38.009 1.00 48.03 N ANISOU 131 N THR A 34 5139 7385 5723 -870 -1068 545 N ATOM 132 CA THR A 34 63.412 31.766 38.770 1.00 48.71 C ANISOU 132 CA THR A 34 4920 7347 6240 -817 -977 517 C ATOM 133 C THR A 34 63.695 30.972 40.037 1.00 46.71 C ANISOU 133 C THR A 34 4719 7006 6021 -833 -609 412 C ATOM 134 O THR A 34 63.330 31.390 41.139 1.00 46.64 O ANISOU 134 O THR A 34 4677 6853 6189 -754 -339 431 O ATOM 135 CB THR A 34 62.430 30.929 37.921 1.00 51.80 C ANISOU 135 CB THR A 34 5096 7788 6795 -950 -1274 469 C ATOM 136 OG1 THR A 34 62.120 31.624 36.719 1.00 54.62 O ANISOU 136 OG1 THR A 34 5468 8212 7071 -956 -1711 598 O ATOM 137 CG2 THR A 34 61.133 30.654 38.680 1.00 54.81 C ANISOU 137 CG2 THR A 34 5048 8070 7706 -939 -1144 462 C ATOM 0 H THR A 34 64.597 31.838 37.183 1.00 48.03 H new ATOM 0 HA THR A 34 63.029 32.626 39.004 1.00 48.71 H new ATOM 0 HB THR A 34 62.859 30.083 37.720 1.00 51.80 H new ATOM 0 HG1 THR A 34 62.775 31.583 36.195 1.00 54.62 H new ATOM 0 HG21 THR A 34 60.537 30.128 38.124 1.00 54.81 H new ATOM 0 HG22 THR A 34 61.331 30.164 39.493 1.00 54.81 H new ATOM 0 HG23 THR A 34 60.705 31.495 38.906 1.00 54.81 H new ATOM 138 N GLY A 35 64.340 29.824 39.861 1.00 45.22 N ANISOU 138 N GLY A 35 4677 6867 5637 -924 -588 306 N ATOM 139 CA GLY A 35 64.664 28.939 40.957 1.00 44.89 C ANISOU 139 CA GLY A 35 4756 6710 5590 -934 -320 243 C ATOM 140 C GLY A 35 65.626 29.589 41.923 1.00 43.34 C ANISOU 140 C GLY A 35 4755 6491 5222 -856 -178 318 C ATOM 141 O GLY A 35 65.483 29.433 43.138 1.00 43.37 O ANISOU 141 O GLY A 35 4882 6339 5256 -862 42 325 O ATOM 0 H GLY A 35 64.602 29.540 39.093 1.00 45.22 H new ATOM 0 HA2 GLY A 35 63.852 28.690 41.425 1.00 44.89 H new ATOM 0 HA3 GLY A 35 65.054 28.121 40.610 1.00 44.89 H new ATOM 142 N LEU A 36 66.596 30.334 41.387 1.00 42.60 N ANISOU 142 N LEU A 36 4725 6540 4921 -834 -309 381 N ATOM 143 CA LEU A 36 67.570 31.032 42.232 1.00 41.87 C ANISOU 143 CA LEU A 36 4795 6442 4668 -839 -262 463 C ATOM 144 C LEU A 36 66.853 31.945 43.234 1.00 42.10 C ANISOU 144 C LEU A 36 4943 6269 4783 -835 -109 492 C ATOM 145 O LEU A 36 67.214 31.967 44.403 1.00 41.46 O ANISOU 145 O LEU A 36 5103 6068 4580 -880 3 504 O ATOM 146 CB LEU A 36 68.586 31.811 41.391 1.00 41.59 C ANISOU 146 CB LEU A 36 4756 6594 4452 -889 -402 536 C ATOM 147 CG LEU A 36 69.613 32.652 42.136 1.00 42.25 C ANISOU 147 CG LEU A 36 4966 6691 4395 -987 -427 634 C ATOM 148 CD1 LEU A 36 70.532 31.774 42.956 1.00 43.29 C ANISOU 148 CD1 LEU A 36 5097 6864 4487 -973 -444 647 C ATOM 149 CD2 LEU A 36 70.430 33.513 41.200 1.00 43.43 C ANISOU 149 CD2 LEU A 36 5082 7008 4410 -1105 -516 718 C ATOM 0 H LEU A 36 66.707 30.448 40.542 1.00 42.60 H new ATOM 0 HA LEU A 36 68.067 30.366 42.733 1.00 41.87 H new ATOM 0 HB2 LEU A 36 69.065 31.176 40.835 1.00 41.59 H new ATOM 0 HB3 LEU A 36 68.095 32.397 40.794 1.00 41.59 H new ATOM 0 HG LEU A 36 69.119 33.240 42.728 1.00 42.25 H new ATOM 0 HD11 LEU A 36 71.178 32.328 43.422 1.00 43.29 H new ATOM 0 HD12 LEU A 36 70.010 31.273 43.602 1.00 43.29 H new ATOM 0 HD13 LEU A 36 70.998 31.157 42.370 1.00 43.29 H new ATOM 0 HD21 LEU A 36 71.070 34.031 41.712 1.00 43.43 H new ATOM 0 HD22 LEU A 36 70.903 32.947 40.570 1.00 43.43 H new ATOM 0 HD23 LEU A 36 69.842 34.114 40.716 1.00 43.43 H new ATOM 150 N HIS A 37 65.826 32.666 42.798 1.00 42.94 N ANISOU 150 N HIS A 37 4911 6307 5095 -766 -104 506 N ATOM 151 CA HIS A 37 65.095 33.549 43.725 1.00 45.43 C ANISOU 151 CA HIS A 37 5335 6380 5545 -692 142 510 C ATOM 152 C HIS A 37 64.090 32.839 44.597 1.00 46.73 C ANISOU 152 C HIS A 37 5424 6395 5936 -672 476 429 C ATOM 153 O HIS A 37 63.834 33.272 45.711 1.00 47.24 O ANISOU 153 O HIS A 37 5739 6238 5971 -657 805 397 O ATOM 154 CB HIS A 37 64.478 34.727 42.984 1.00 47.01 C ANISOU 154 CB HIS A 37 5416 6516 5926 -558 31 590 C ATOM 155 CG HIS A 37 65.499 35.494 42.226 1.00 46.70 C ANISOU 155 CG HIS A 37 5557 6576 5609 -643 -229 686 C ATOM 156 ND1 HIS A 37 66.386 36.346 42.840 1.00 47.25 N ANISOU 156 ND1 HIS A 37 5981 6542 5429 -756 -184 717 N ATOM 157 CD2 HIS A 37 65.857 35.452 40.925 1.00 46.70 C ANISOU 157 CD2 HIS A 37 5475 6772 5497 -698 -511 754 C ATOM 158 CE1 HIS A 37 67.218 36.828 41.936 1.00 46.11 C ANISOU 158 CE1 HIS A 37 5891 6536 5091 -880 -408 814 C ATOM 159 NE2 HIS A 37 66.925 36.297 40.769 1.00 46.14 N ANISOU 159 NE2 HIS A 37 5658 6720 5150 -835 -576 836 N ATOM 0 H HIS A 37 65.535 32.665 41.989 1.00 42.94 H new ATOM 0 HA HIS A 37 65.759 33.890 44.345 1.00 45.43 H new ATOM 0 HB2 HIS A 37 63.796 34.405 42.374 1.00 47.01 H new ATOM 0 HB3 HIS A 37 64.037 35.314 43.618 1.00 47.01 H new ATOM 0 HD2 HIS A 37 65.454 34.944 40.258 1.00 46.70 H new ATOM 0 HE1 HIS A 37 67.898 37.441 42.097 1.00 46.11 H new ATOM 0 HE2 HIS A 37 67.336 36.454 40.030 1.00 46.14 H new ATOM 160 N HIS A 38 63.551 31.731 44.109 1.00 48.36 N ANISOU 160 N HIS A 38 5347 6698 6330 -716 424 388 N ATOM 161 CA HIS A 38 62.678 30.902 44.921 1.00 51.91 C ANISOU 161 CA HIS A 38 5728 7010 6983 -782 765 323 C ATOM 162 C HIS A 38 63.387 30.437 46.203 1.00 50.08 C ANISOU 162 C HIS A 38 5984 6632 6410 -880 988 310 C ATOM 163 O HIS A 38 62.760 30.356 47.266 1.00 50.88 O ANISOU 163 O HIS A 38 6251 6527 6554 -927 1409 276 O ATOM 164 CB HIS A 38 62.111 29.717 44.106 1.00 55.25 C ANISOU 164 CB HIS A 38 5831 7540 7619 -900 600 280 C ATOM 165 CG HIS A 38 60.940 30.088 43.243 1.00 61.97 C ANISOU 165 CG HIS A 38 6169 8468 8907 -858 439 309 C ATOM 166 ND1 HIS A 38 60.034 31.070 43.596 1.00 67.47 N ANISOU 166 ND1 HIS A 38 6595 9068 9972 -686 655 359 N ATOM 167 CD2 HIS A 38 60.510 29.594 42.054 1.00 66.02 C ANISOU 167 CD2 HIS A 38 6399 9125 9559 -961 50 305 C ATOM 168 CE1 HIS A 38 59.106 31.174 42.658 1.00 71.23 C ANISOU 168 CE1 HIS A 38 6560 9650 10852 -657 355 419 C ATOM 169 NE2 HIS A 38 59.371 30.289 41.712 1.00 70.54 N ANISOU 169 NE2 HIS A 38 6488 9717 10598 -860 -46 388 N ATOM 0 H HIS A 38 63.679 31.442 43.309 1.00 48.36 H new ATOM 0 HA HIS A 38 61.922 31.444 45.195 1.00 51.91 H new ATOM 0 HB2 HIS A 38 62.814 29.354 43.545 1.00 55.25 H new ATOM 0 HB3 HIS A 38 61.843 29.013 44.717 1.00 55.25 H new ATOM 0 HD2 HIS A 38 60.910 28.913 41.562 1.00 66.02 H new ATOM 0 HE1 HIS A 38 58.390 31.768 42.663 1.00 71.23 H new ATOM 0 HE2 HIS A 38 58.907 30.167 40.998 1.00 70.54 H new ATOM 170 N MET A 39 64.687 30.179 46.075 1.00 48.56 N ANISOU 170 N MET A 39 6321 7298 4829 -660 -816 -829 N ATOM 171 CA MET A 39 65.565 29.776 47.172 1.00 46.49 C ANISOU 171 CA MET A 39 6083 6776 4805 -730 -647 -763 C ATOM 172 C MET A 39 65.555 30.741 48.349 1.00 43.58 C ANISOU 172 C MET A 39 5655 6335 4568 -733 -574 -527 C ATOM 173 O MET A 39 65.645 30.319 49.481 1.00 42.62 O ANISOU 173 O MET A 39 5484 6063 4646 -792 -516 -496 O ATOM 174 CB MET A 39 67.016 29.688 46.683 1.00 47.58 C ANISOU 174 CB MET A 39 6340 6918 4818 -637 -492 -758 C ATOM 175 CG MET A 39 67.289 28.681 45.579 1.00 49.82 C ANISOU 175 CG MET A 39 6729 7247 4952 -589 -511 -1010 C ATOM 176 SD MET A 39 68.019 27.175 46.207 1.00 50.60 S ANISOU 176 SD MET A 39 6894 7056 5273 -589 -382 -1153 S ATOM 177 CE MET A 39 69.721 27.713 46.366 1.00 49.48 C ANISOU 177 CE MET A 39 6725 7031 5045 -421 -175 -972 C ATOM 0 H MET A 39 65.096 30.236 45.321 1.00 48.56 H new ATOM 0 HA MET A 39 65.224 28.918 47.470 1.00 46.49 H new ATOM 0 HB2 MET A 39 67.286 30.565 46.370 1.00 47.58 H new ATOM 0 HB3 MET A 39 67.581 29.471 47.441 1.00 47.58 H new ATOM 0 HG2 MET A 39 66.459 28.471 45.122 1.00 49.82 H new ATOM 0 HG3 MET A 39 67.882 29.077 44.922 1.00 49.82 H new ATOM 0 HE1 MET A 39 70.295 27.128 45.847 1.00 49.48 H new ATOM 0 HE2 MET A 39 69.805 28.622 46.038 1.00 49.48 H new ATOM 0 HE3 MET A 39 69.985 27.680 47.299 1.00 49.48 H new ATOM 178 N VAL A 40 65.499 32.033 48.053 1.00 43.42 N ANISOU 178 N VAL A 40 5678 6409 4411 -643 -549 -361 N ATOM 179 CA VAL A 40 65.457 33.077 49.066 1.00 42.59 C ANISOU 179 CA VAL A 40 5562 6207 4411 -646 -464 -186 C ATOM 180 C VAL A 40 64.066 33.072 49.696 1.00 42.74 C ANISOU 180 C VAL A 40 5448 6248 4541 -641 -580 -173 C ATOM 181 O VAL A 40 63.919 33.053 50.918 1.00 42.15 O ANISOU 181 O VAL A 40 5306 6069 4637 -695 -532 -133 O ATOM 182 CB VAL A 40 65.709 34.477 48.456 1.00 43.23 C ANISOU 182 CB VAL A 40 5795 6298 4330 -546 -348 -9 C ATOM 183 CG1 VAL A 40 65.614 35.561 49.527 1.00 42.80 C ANISOU 183 CG1 VAL A 40 5771 6081 4409 -570 -239 111 C ATOM 184 CG2 VAL A 40 67.062 34.526 47.766 1.00 43.86 C ANISOU 184 CG2 VAL A 40 5972 6388 4304 -583 -183 -11 C ATOM 0 H VAL A 40 65.484 32.332 47.247 1.00 43.42 H new ATOM 0 HA VAL A 40 66.151 32.900 49.720 1.00 42.59 H new ATOM 0 HB VAL A 40 65.021 34.645 47.793 1.00 43.23 H new ATOM 0 HG11 VAL A 40 65.775 36.429 49.125 1.00 42.80 H new ATOM 0 HG12 VAL A 40 64.729 35.548 49.923 1.00 42.80 H new ATOM 0 HG13 VAL A 40 66.278 35.396 50.215 1.00 42.80 H new ATOM 0 HG21 VAL A 40 67.202 35.409 47.390 1.00 43.86 H new ATOM 0 HG22 VAL A 40 67.761 34.334 48.410 1.00 43.86 H new ATOM 0 HG23 VAL A 40 67.087 33.866 47.056 1.00 43.86 H new ATOM 185 N PHE A 41 63.056 33.077 48.843 1.00 44.06 N ANISOU 185 N PHE A 41 5550 6610 4580 -557 -733 -217 N ATOM 186 CA PHE A 41 61.659 33.050 49.278 1.00 44.99 C ANISOU 186 CA PHE A 41 5459 6846 4787 -548 -851 -231 C ATOM 187 C PHE A 41 61.322 31.862 50.177 1.00 43.13 C ANISOU 187 C PHE A 41 5076 6495 4816 -771 -839 -361 C ATOM 188 O PHE A 41 60.564 32.019 51.119 1.00 41.78 O ANISOU 188 O PHE A 41 4768 6317 4787 -789 -807 -289 O ATOM 189 CB PHE A 41 60.719 33.133 48.063 1.00 48.68 C ANISOU 189 CB PHE A 41 5817 7656 5023 -408 -1058 -312 C ATOM 190 CG PHE A 41 60.987 34.326 47.161 1.00 51.30 C ANISOU 190 CG PHE A 41 6350 8090 5050 -112 -1024 -108 C ATOM 191 CD1 PHE A 41 61.374 35.565 47.686 1.00 51.45 C ANISOU 191 CD1 PHE A 41 6564 7891 5093 13 -823 154 C ATOM 192 CD2 PHE A 41 60.853 34.210 45.785 1.00 55.89 C ANISOU 192 CD2 PHE A 41 6957 8969 5308 41 -1166 -184 C ATOM 193 CE1 PHE A 41 61.628 36.647 46.851 1.00 53.69 C ANISOU 193 CE1 PHE A 41 7093 8181 5125 272 -717 376 C ATOM 194 CE2 PHE A 41 61.100 35.292 44.940 1.00 58.43 C ANISOU 194 CE2 PHE A 41 7512 9371 5317 357 -1085 65 C ATOM 195 CZ PHE A 41 61.492 36.511 45.478 1.00 57.20 C ANISOU 195 CZ PHE A 41 7579 8922 5230 465 -834 367 C ATOM 0 H PHE A 41 63.156 33.096 47.989 1.00 44.06 H new ATOM 0 HA PHE A 41 61.522 33.834 49.832 1.00 44.99 H new ATOM 0 HB2 PHE A 41 60.804 32.319 47.542 1.00 48.68 H new ATOM 0 HB3 PHE A 41 59.802 33.175 48.376 1.00 48.68 H new ATOM 0 HD1 PHE A 41 61.462 35.666 48.606 1.00 51.45 H new ATOM 0 HD2 PHE A 41 60.594 33.395 45.419 1.00 55.89 H new ATOM 0 HE1 PHE A 41 61.889 37.463 47.214 1.00 53.69 H new ATOM 0 HE2 PHE A 41 61.003 35.198 44.020 1.00 58.43 H new ATOM 0 HZ PHE A 41 61.663 37.234 44.919 1.00 57.20 H new ATOM 196 N GLU A 42 61.916 30.704 49.923 1.00 43.75 N ANISOU 196 N GLU A 42 5216 6451 4954 -913 -817 -525 N ATOM 197 CA GLU A 42 61.725 29.553 50.796 1.00 46.10 C ANISOU 197 CA GLU A 42 5464 6541 5511 -1098 -726 -594 C ATOM 198 C GLU A 42 62.212 29.902 52.193 1.00 43.96 C ANISOU 198 C GLU A 42 5245 6120 5338 -1034 -565 -379 C ATOM 199 O GLU A 42 61.488 29.681 53.154 1.00 44.72 O ANISOU 199 O GLU A 42 5235 6164 5589 -1097 -494 -311 O ATOM 200 CB GLU A 42 62.459 28.297 50.305 1.00 49.16 C ANISOU 200 CB GLU A 42 5998 6741 5937 -1189 -674 -781 C ATOM 201 CG GLU A 42 61.696 27.476 49.287 1.00 55.51 C ANISOU 201 CG GLU A 42 6724 7623 6742 -1366 -805 -1099 C ATOM 202 CD GLU A 42 60.372 26.896 49.811 1.00 60.72 C ANISOU 202 CD GLU A 42 7154 8257 7657 -1628 -804 -1208 C ATOM 203 OE1 GLU A 42 60.208 26.690 51.057 1.00 62.03 O ANISOU 203 OE1 GLU A 42 7307 8214 8044 -1686 -619 -1025 O ATOM 204 OE2 GLU A 42 59.497 26.622 48.950 1.00 63.41 O ANISOU 204 OE2 GLU A 42 7308 8825 7958 -1784 -980 -1496 O ATOM 0 H GLU A 42 62.434 30.563 49.251 1.00 43.75 H new ATOM 0 HA GLU A 42 60.777 29.348 50.796 1.00 46.10 H new ATOM 0 HB2 GLU A 42 63.307 28.564 49.917 1.00 49.16 H new ATOM 0 HB3 GLU A 42 62.661 27.735 51.070 1.00 49.16 H new ATOM 0 HG2 GLU A 42 61.511 28.030 48.513 1.00 55.51 H new ATOM 0 HG3 GLU A 42 62.260 26.747 48.986 1.00 55.51 H new ATOM 205 N VAL A 43 63.413 30.472 52.291 1.00 40.71 N ANISOU 205 N VAL A 43 4970 5682 4815 -917 -505 -292 N ATOM 206 CA VAL A 43 63.954 30.857 53.585 1.00 39.72 C ANISOU 206 CA VAL A 43 4866 5497 4728 -854 -394 -154 C ATOM 207 C VAL A 43 63.091 31.943 54.229 1.00 38.95 C ANISOU 207 C VAL A 43 4694 5471 4634 -805 -397 -51 C ATOM 208 O VAL A 43 62.800 31.879 55.409 1.00 40.24 O ANISOU 208 O VAL A 43 4814 5604 4868 -785 -318 25 O ATOM 209 CB VAL A 43 65.429 31.316 53.496 1.00 39.14 C ANISOU 209 CB VAL A 43 4878 5454 4538 -789 -343 -150 C ATOM 210 CG1 VAL A 43 65.969 31.739 54.861 1.00 37.18 C ANISOU 210 CG1 VAL A 43 4602 5231 4293 -737 -272 -81 C ATOM 211 CG2 VAL A 43 66.292 30.198 52.920 1.00 40.98 C ANISOU 211 CG2 VAL A 43 5171 5642 4757 -768 -315 -243 C ATOM 0 H VAL A 43 63.925 30.642 51.621 1.00 40.71 H new ATOM 0 HA VAL A 43 63.936 30.066 54.146 1.00 39.72 H new ATOM 0 HB VAL A 43 65.464 32.087 52.909 1.00 39.14 H new ATOM 0 HG11 VAL A 43 66.893 32.020 54.771 1.00 37.18 H new ATOM 0 HG12 VAL A 43 65.439 32.475 55.205 1.00 37.18 H new ATOM 0 HG13 VAL A 43 65.918 30.990 55.476 1.00 37.18 H new ATOM 0 HG21 VAL A 43 67.214 30.495 52.868 1.00 40.98 H new ATOM 0 HG22 VAL A 43 66.236 29.418 53.493 1.00 40.98 H new ATOM 0 HG23 VAL A 43 65.976 29.970 52.032 1.00 40.98 H new ATOM 212 N VAL A 44 62.693 32.938 53.459 1.00 39.87 N ANISOU 212 N VAL A 44 4821 5682 4646 -736 -463 -33 N ATOM 213 CA VAL A 44 61.835 34.004 53.970 1.00 41.06 C ANISOU 213 CA VAL A 44 4933 5878 4790 -621 -444 67 C ATOM 214 C VAL A 44 60.499 33.456 54.490 1.00 42.27 C ANISOU 214 C VAL A 44 4866 6128 5067 -647 -468 70 C ATOM 215 O VAL A 44 60.061 33.869 55.554 1.00 41.96 O ANISOU 215 O VAL A 44 4785 6083 5073 -579 -377 151 O ATOM 216 CB VAL A 44 61.611 35.118 52.917 1.00 41.80 C ANISOU 216 CB VAL A 44 5121 6036 4725 -465 -483 132 C ATOM 217 CG1 VAL A 44 60.497 36.073 53.330 1.00 42.71 C ANISOU 217 CG1 VAL A 44 5186 6208 4832 -267 -465 242 C ATOM 218 CG2 VAL A 44 62.901 35.900 52.720 1.00 41.93 C ANISOU 218 CG2 VAL A 44 5361 5898 4669 -484 -358 163 C ATOM 0 H VAL A 44 62.907 33.020 52.630 1.00 39.87 H new ATOM 0 HA VAL A 44 62.300 34.404 54.721 1.00 41.06 H new ATOM 0 HB VAL A 44 61.346 34.692 52.087 1.00 41.80 H new ATOM 0 HG11 VAL A 44 60.386 36.755 52.649 1.00 42.71 H new ATOM 0 HG12 VAL A 44 59.668 35.579 53.431 1.00 42.71 H new ATOM 0 HG13 VAL A 44 60.727 36.494 54.173 1.00 42.71 H new ATOM 0 HG21 VAL A 44 62.760 36.597 52.061 1.00 41.93 H new ATOM 0 HG22 VAL A 44 63.168 36.301 53.562 1.00 41.93 H new ATOM 0 HG23 VAL A 44 63.599 35.301 52.412 1.00 41.93 H new ATOM 219 N ASP A 45 59.881 32.513 53.771 1.00 45.18 N ANISOU 219 N ASP A 45 5083 6591 5490 -770 -568 -46 N ATOM 220 CA ASP A 45 58.594 31.937 54.208 1.00 47.72 C ANISOU 220 CA ASP A 45 5137 7024 5971 -877 -560 -79 C ATOM 221 C ASP A 45 58.642 31.396 55.637 1.00 46.36 C ANISOU 221 C ASP A 45 4978 6682 5954 -950 -355 22 C ATOM 222 O ASP A 45 57.664 31.517 56.373 1.00 46.27 O ANISOU 222 O ASP A 45 4782 6770 6026 -941 -270 93 O ATOM 223 CB ASP A 45 58.111 30.837 53.260 1.00 51.63 C ANISOU 223 CB ASP A 45 5477 7601 6538 -1100 -675 -306 C ATOM 224 CG ASP A 45 57.561 31.377 51.924 1.00 55.92 C ANISOU 224 CG ASP A 45 5891 8481 6875 -979 -913 -417 C ATOM 225 OD1 ASP A 45 57.577 32.615 51.657 1.00 56.42 O ANISOU 225 OD1 ASP A 45 6029 8668 6739 -684 -959 -263 O ATOM 226 OD2 ASP A 45 57.128 30.524 51.110 1.00 61.17 O ANISOU 226 OD2 ASP A 45 6400 9280 7560 -1170 -1044 -671 O ATOM 0 H ASP A 45 60.184 32.193 53.033 1.00 45.18 H new ATOM 0 HA ASP A 45 57.961 32.672 54.187 1.00 47.72 H new ATOM 0 HB2 ASP A 45 58.846 30.231 53.078 1.00 51.63 H new ATOM 0 HB3 ASP A 45 57.419 30.320 53.701 1.00 51.63 H new ATOM 227 N ASN A 46 59.783 30.830 56.026 1.00 44.68 N ANISOU 227 N ASN A 46 4974 6256 5743 -974 -266 49 N ATOM 228 CA ASN A 46 59.961 30.333 57.392 1.00 45.74 C ANISOU 228 CA ASN A 46 5168 6266 5943 -953 -70 189 C ATOM 229 C ASN A 46 59.987 31.445 58.446 1.00 44.08 C ANISOU 229 C ASN A 46 4983 6157 5609 -756 -15 304 C ATOM 230 O ASN A 46 59.427 31.295 59.514 1.00 45.20 O ANISOU 230 O ASN A 46 5068 6321 5783 -716 135 418 O ATOM 231 CB ASN A 46 61.229 29.473 57.497 1.00 45.98 C ANISOU 231 CB ASN A 46 5406 6109 5952 -931 -9 199 C ATOM 232 CG ASN A 46 61.053 28.076 56.934 1.00 47.49 C ANISOU 232 CG ASN A 46 5633 6090 6320 -1119 56 109 C ATOM 233 OD1 ASN A 46 59.940 27.602 56.710 1.00 50.02 O ANISOU 233 OD1 ASN A 46 5799 6388 6816 -1334 90 33 O ATOM 234 ND2 ASN A 46 62.164 27.396 56.733 1.00 47.74 N ANISOU 234 ND2 ASN A 46 5858 5966 6314 -1043 91 94 N ATOM 0 H ASN A 46 60.467 30.724 55.515 1.00 44.68 H new ATOM 0 HA ASN A 46 59.182 29.787 57.583 1.00 45.74 H new ATOM 0 HB2 ASN A 46 61.953 29.916 57.027 1.00 45.98 H new ATOM 0 HB3 ASN A 46 61.493 29.409 58.428 1.00 45.98 H new ATOM 0 HD21 ASN A 46 62.127 26.590 56.435 1.00 47.74 H new ATOM 0 HD22 ASN A 46 62.926 27.758 56.900 1.00 47.74 H new ATOM 235 N ALA A 47 60.647 32.549 58.143 1.00 42.60 N ANISOU 235 N ALA A 47 4898 6008 5277 -647 -107 259 N ATOM 236 CA ALA A 47 60.618 33.721 59.006 1.00 43.17 C ANISOU 236 CA ALA A 47 5023 6134 5245 -492 -54 292 C ATOM 237 C ALA A 47 59.219 34.327 59.067 1.00 43.88 C ANISOU 237 C ALA A 47 4963 6335 5373 -396 -29 342 C ATOM 238 O ALA A 47 58.755 34.673 60.137 1.00 45.00 O ANISOU 238 O ALA A 47 5082 6533 5483 -279 90 400 O ATOM 239 CB ALA A 47 61.634 34.762 58.530 1.00 43.39 C ANISOU 239 CB ALA A 47 5215 6107 5163 -469 -111 203 C ATOM 0 H ALA A 47 61.124 32.643 57.434 1.00 42.60 H new ATOM 0 HA ALA A 47 60.860 33.439 59.902 1.00 43.17 H new ATOM 0 HB1 ALA A 47 61.603 35.536 59.114 1.00 43.39 H new ATOM 0 HB2 ALA A 47 62.525 34.378 58.550 1.00 43.39 H new ATOM 0 HB3 ALA A 47 61.420 35.033 57.624 1.00 43.39 H new ATOM 240 N ILE A 48 58.547 34.432 57.923 1.00 45.22 N ANISOU 240 N ILE A 48 5013 6592 5576 -405 -145 313 N ATOM 241 CA ILE A 48 57.152 34.910 57.868 1.00 47.88 C ANISOU 241 CA ILE A 48 5125 7132 5935 -268 -148 357 C ATOM 242 C ILE A 48 56.246 34.054 58.780 1.00 50.52 C ANISOU 242 C ILE A 48 5213 7568 6414 -373 -8 405 C ATOM 243 O ILE A 48 55.352 34.596 59.445 1.00 51.45 O ANISOU 243 O ILE A 48 5190 7834 6523 -207 95 475 O ATOM 244 CB ILE A 48 56.570 34.906 56.420 1.00 49.57 C ANISOU 244 CB ILE A 48 5180 7534 6119 -253 -341 295 C ATOM 245 CG1 ILE A 48 57.309 35.905 55.505 1.00 48.69 C ANISOU 245 CG1 ILE A 48 5336 7329 5832 -84 -414 320 C ATOM 246 CG2 ILE A 48 55.056 35.210 56.411 1.00 52.49 C ANISOU 246 CG2 ILE A 48 5205 8231 6508 -95 -367 323 C ATOM 247 CD1 ILE A 48 56.960 37.366 55.721 1.00 49.67 C ANISOU 247 CD1 ILE A 48 5597 7421 5852 246 -330 440 C ATOM 0 H ILE A 48 58.879 34.231 57.156 1.00 45.22 H new ATOM 0 HA ILE A 48 57.167 35.828 58.181 1.00 47.88 H new ATOM 0 HB ILE A 48 56.706 34.011 56.072 1.00 49.57 H new ATOM 0 HG12 ILE A 48 58.264 35.794 55.635 1.00 48.69 H new ATOM 0 HG13 ILE A 48 57.119 35.676 54.582 1.00 48.69 H new ATOM 0 HG21 ILE A 48 54.729 35.199 55.498 1.00 52.49 H new ATOM 0 HG22 ILE A 48 54.588 34.537 56.930 1.00 52.49 H new ATOM 0 HG23 ILE A 48 54.899 36.085 56.800 1.00 52.49 H new ATOM 0 HD11 ILE A 48 57.470 37.915 55.105 1.00 49.67 H new ATOM 0 HD12 ILE A 48 56.012 37.499 55.563 1.00 49.67 H new ATOM 0 HD13 ILE A 48 57.174 37.619 56.633 1.00 49.67 H new ATOM 248 N ASP A 49 56.465 32.735 58.810 1.00 51.18 N ANISOU 248 N ASP A 49 5264 7547 6633 -633 38 379 N ATOM 249 CA ASP A 49 55.667 31.853 59.691 1.00 54.03 C ANISOU 249 CA ASP A 49 5441 7929 7158 -776 253 460 C ATOM 250 C ASP A 49 55.926 32.076 61.180 1.00 51.70 C ANISOU 250 C ASP A 49 5296 7586 6761 -604 470 626 C ATOM 251 O ASP A 49 55.004 31.984 61.990 1.00 52.95 O ANISOU 251 O ASP A 49 5279 7867 6973 -581 668 732 O ATOM 252 CB ASP A 49 55.875 30.386 59.333 1.00 56.41 C ANISOU 252 CB ASP A 49 5754 8030 7647 -1093 307 398 C ATOM 253 CG ASP A 49 55.250 30.025 58.011 1.00 59.74 C ANISOU 253 CG ASP A 49 5935 8582 8180 -1311 121 174 C ATOM 254 OD1 ASP A 49 54.138 30.515 57.722 1.00 62.64 O ANISOU 254 OD1 ASP A 49 5963 9274 8560 -1284 40 115 O ATOM 255 OD2 ASP A 49 55.872 29.238 57.261 1.00 63.30 O ANISOU 255 OD2 ASP A 49 6522 8847 8678 -1483 50 38 O ATOM 0 H ASP A 49 57.060 32.331 58.338 1.00 51.18 H new ATOM 0 HA ASP A 49 54.741 32.095 59.533 1.00 54.03 H new ATOM 0 HB2 ASP A 49 56.825 30.195 59.302 1.00 56.41 H new ATOM 0 HB3 ASP A 49 55.496 29.828 60.030 1.00 56.41 H new ATOM 256 N GLU A 50 57.173 32.385 61.529 1.00 48.93 N ANISOU 256 N GLU A 50 5239 7110 6240 -480 431 630 N ATOM 257 CA GLU A 50 57.487 32.874 62.867 1.00 49.44 C ANISOU 257 CA GLU A 50 5443 7223 6118 -265 564 713 C ATOM 258 C GLU A 50 56.771 34.219 63.193 1.00 50.60 C ANISOU 258 C GLU A 50 5535 7521 6170 -46 580 677 C ATOM 259 O GLU A 50 56.334 34.404 64.333 1.00 52.29 O ANISOU 259 O GLU A 50 5738 7844 6284 109 762 758 O ATOM 260 CB GLU A 50 59.004 32.974 63.072 1.00 47.43 C ANISOU 260 CB GLU A 50 5439 6890 5690 -200 471 648 C ATOM 261 CG GLU A 50 59.459 33.286 64.492 1.00 47.82 C ANISOU 261 CG GLU A 50 5615 7060 5494 12 571 683 C ATOM 262 CD GLU A 50 59.207 32.172 65.496 1.00 49.88 C ANISOU 262 CD GLU A 50 5887 7348 5716 82 801 916 C ATOM 263 OE1 GLU A 50 58.651 31.121 65.133 1.00 52.41 O ANISOU 263 OE1 GLU A 50 6129 7527 6255 -84 925 1049 O ATOM 264 OE2 GLU A 50 59.575 32.338 66.677 1.00 50.22 O ANISOU 264 OE2 GLU A 50 6035 7551 5492 307 879 963 O ATOM 0 H GLU A 50 57.851 32.318 61.005 1.00 48.93 H new ATOM 0 HA GLU A 50 57.142 32.223 63.498 1.00 49.44 H new ATOM 0 HB2 GLU A 50 59.407 32.135 62.798 1.00 47.43 H new ATOM 0 HB3 GLU A 50 59.349 33.661 62.481 1.00 47.43 H new ATOM 0 HG2 GLU A 50 60.408 33.485 64.479 1.00 47.82 H new ATOM 0 HG3 GLU A 50 59.005 34.088 64.796 1.00 47.82 H new ATOM 265 N ALA A 51 56.627 35.127 62.215 1.00 49.75 N ANISOU 265 N ALA A 51 5419 7412 6071 8 423 577 N ATOM 266 CA ALA A 51 55.877 36.389 62.426 1.00 51.19 C ANISOU 266 CA ALA A 51 5586 7685 6178 277 471 567 C ATOM 267 C ALA A 51 54.368 36.189 62.575 1.00 54.53 C ANISOU 267 C ALA A 51 5652 8365 6700 352 581 662 C ATOM 268 O ALA A 51 53.731 36.842 63.420 1.00 55.55 O ANISOU 268 O ALA A 51 5750 8609 6746 599 741 701 O ATOM 269 CB ALA A 51 56.166 37.389 61.319 1.00 50.84 C ANISOU 269 CB ALA A 51 5684 7530 6101 368 323 494 C ATOM 0 H ALA A 51 56.953 35.036 61.424 1.00 49.75 H new ATOM 0 HA ALA A 51 56.195 36.743 63.271 1.00 51.19 H new ATOM 0 HB1 ALA A 51 55.665 38.204 61.480 1.00 50.84 H new ATOM 0 HB2 ALA A 51 57.115 37.591 61.305 1.00 50.84 H new ATOM 0 HB3 ALA A 51 55.903 37.011 60.465 1.00 50.84 H new ATOM 270 N LEU A 52 53.813 35.280 61.771 1.00 56.26 N ANISOU 270 N LEU A 52 5585 8696 7094 127 504 664 N ATOM 271 CA LEU A 52 52.402 34.884 61.875 1.00 60.66 C ANISOU 271 CA LEU A 52 5703 9552 7791 89 610 710 C ATOM 272 C LEU A 52 52.075 34.164 63.178 1.00 62.06 C ANISOU 272 C LEU A 52 5812 9745 8023 0 921 843 C ATOM 273 O LEU A 52 50.944 34.243 63.641 1.00 65.76 O ANISOU 273 O LEU A 52 5960 10479 8545 75 1095 908 O ATOM 274 CB LEU A 52 51.997 33.980 60.705 1.00 63.29 C ANISOU 274 CB LEU A 52 5742 9998 8308 -221 446 599 C ATOM 275 CG LEU A 52 51.852 34.623 59.319 1.00 64.65 C ANISOU 275 CG LEU A 52 5837 10336 8391 -78 149 490 C ATOM 276 CD1 LEU A 52 51.582 33.551 58.268 1.00 65.96 C ANISOU 276 CD1 LEU A 52 5736 10624 8701 -436 -18 312 C ATOM 277 CD2 LEU A 52 50.740 35.670 59.323 1.00 68.55 C ANISOU 277 CD2 LEU A 52 6071 11183 8789 315 146 544 C ATOM 0 H LEU A 52 54.244 34.873 61.148 1.00 56.26 H new ATOM 0 HA LEU A 52 51.898 35.713 61.853 1.00 60.66 H new ATOM 0 HB2 LEU A 52 52.654 33.269 60.636 1.00 63.29 H new ATOM 0 HB3 LEU A 52 51.151 33.563 60.930 1.00 63.29 H new ATOM 0 HG LEU A 52 52.683 35.070 59.097 1.00 64.65 H new ATOM 0 HD11 LEU A 52 51.492 33.967 57.397 1.00 65.96 H new ATOM 0 HD12 LEU A 52 52.320 32.922 58.251 1.00 65.96 H new ATOM 0 HD13 LEU A 52 50.762 33.081 58.488 1.00 65.96 H new ATOM 0 HD21 LEU A 52 50.664 36.065 58.440 1.00 68.55 H new ATOM 0 HD22 LEU A 52 49.900 35.249 59.562 1.00 68.55 H new ATOM 0 HD23 LEU A 52 50.950 36.362 59.969 1.00 68.55 H new ATOM 278 N ALA A 53 53.049 33.455 63.754 1.00 60.19 N ANISOU 278 N ALA A 53 5861 9257 7752 -127 1009 906 N ATOM 279 CA ALA A 53 52.883 32.819 65.068 1.00 62.19 C ANISOU 279 CA ALA A 53 6146 9507 7977 -126 1335 1093 C ATOM 280 C ALA A 53 52.997 33.810 66.233 1.00 62.93 C ANISOU 280 C ALA A 53 6421 9708 7781 249 1451 1133 C ATOM 281 O ALA A 53 52.876 33.407 67.392 1.00 65.20 O ANISOU 281 O ALA A 53 6763 10050 7958 329 1726 1299 O ATOM 282 CB ALA A 53 53.900 31.698 65.247 1.00 61.32 C ANISOU 282 CB ALA A 53 6301 9114 7882 -299 1388 1176 C ATOM 0 H ALA A 53 53.821 33.329 63.397 1.00 60.19 H new ATOM 0 HA ALA A 53 51.983 32.457 65.086 1.00 62.19 H new ATOM 0 HB1 ALA A 53 53.779 31.287 66.117 1.00 61.32 H new ATOM 0 HB2 ALA A 53 53.772 31.031 64.555 1.00 61.32 H new ATOM 0 HB3 ALA A 53 54.797 32.061 65.183 1.00 61.32 H new ATOM 283 N GLY A 54 53.263 35.086 65.934 1.00 61.99 N ANISOU 283 N GLY A 54 6434 9593 7524 481 1268 977 N ATOM 284 CA GLY A 54 53.297 36.154 66.931 1.00 62.15 C ANISOU 284 CA GLY A 54 6640 9684 7288 823 1372 929 C ATOM 285 C GLY A 54 54.683 36.529 67.432 1.00 59.67 C ANISOU 285 C GLY A 54 6715 9217 6738 880 1271 793 C ATOM 286 O GLY A 54 54.807 37.448 68.225 1.00 62.51 O ANISOU 286 O GLY A 54 7255 9619 6877 1121 1333 670 O ATOM 0 H GLY A 54 53.431 35.356 65.135 1.00 61.99 H new ATOM 0 HA2 GLY A 54 52.881 36.944 66.552 1.00 62.15 H new ATOM 0 HA3 GLY A 54 52.756 35.885 67.690 1.00 62.15 H new ATOM 287 N HIS A 55 55.726 35.869 66.942 1.00 55.62 N ANISOU 287 N HIS A 55 6312 8553 6267 662 1109 772 N ATOM 288 CA HIS A 55 57.033 35.913 67.589 1.00 54.55 C ANISOU 288 CA HIS A 55 6437 8395 5893 703 1035 666 C ATOM 289 C HIS A 55 58.156 36.675 66.863 1.00 52.07 C ANISOU 289 C HIS A 55 6296 7920 5568 607 793 419 C ATOM 290 O HIS A 55 59.221 36.850 67.428 1.00 52.26 O ANISOU 290 O HIS A 55 6470 7996 5390 627 719 267 O ATOM 291 CB HIS A 55 57.450 34.470 67.905 1.00 54.90 C ANISOU 291 CB HIS A 55 6477 8446 5934 609 1110 873 C ATOM 292 CG HIS A 55 56.609 33.837 68.977 1.00 58.27 C ANISOU 292 CG HIS A 55 6834 9020 6285 736 1427 1124 C ATOM 293 ND1 HIS A 55 56.710 34.191 70.309 1.00 59.88 N ANISOU 293 ND1 HIS A 55 7169 9444 6137 1027 1561 1137 N ATOM 294 CD2 HIS A 55 55.619 32.916 68.909 1.00 60.02 C ANISOU 294 CD2 HIS A 55 6860 9210 6732 593 1664 1358 C ATOM 295 CE1 HIS A 55 55.838 33.494 71.016 1.00 62.89 C ANISOU 295 CE1 HIS A 55 7461 9920 6513 1092 1889 1420 C ATOM 296 NE2 HIS A 55 55.166 32.712 70.191 1.00 63.08 N ANISOU 296 NE2 HIS A 55 7278 9776 6913 803 1972 1557 N ATOM 0 H HIS A 55 55.698 35.386 66.231 1.00 55.62 H new ATOM 0 HA HIS A 55 56.914 36.449 68.389 1.00 54.55 H new ATOM 0 HB2 HIS A 55 57.390 33.937 67.097 1.00 54.90 H new ATOM 0 HB3 HIS A 55 58.379 34.461 68.182 1.00 54.90 H new ATOM 0 HD2 HIS A 55 55.304 32.499 68.139 1.00 60.02 H new ATOM 0 HE1 HIS A 55 55.718 33.545 71.937 1.00 62.89 H new ATOM 0 HE2 HIS A 55 54.545 32.163 70.419 1.00 63.08 H new ATOM 297 N CYS A 56 57.907 37.156 65.645 1.00 50.51 N ANISOU 297 N CYS A 56 6060 7568 5562 516 688 376 N ATOM 298 CA CYS A 56 58.917 37.853 64.839 1.00 49.04 C ANISOU 298 CA CYS A 56 6045 7195 5393 398 526 191 C ATOM 299 C CYS A 56 58.315 39.159 64.344 1.00 48.81 C ANISOU 299 C CYS A 56 6113 7019 5412 539 563 128 C ATOM 300 O CYS A 56 57.234 39.145 63.774 1.00 49.11 O ANISOU 300 O CYS A 56 5989 7111 5558 645 585 270 O ATOM 301 CB CYS A 56 59.368 36.965 63.667 1.00 47.70 C ANISOU 301 CB CYS A 56 5791 6953 5378 178 386 262 C ATOM 302 SG CYS A 56 60.284 37.808 62.353 1.00 48.32 S ANISOU 302 SG CYS A 56 6032 6816 5512 45 251 119 S ATOM 0 H CYS A 56 57.142 37.088 65.258 1.00 50.51 H new ATOM 0 HA CYS A 56 59.703 38.045 65.374 1.00 49.04 H new ATOM 0 HB2 CYS A 56 59.922 36.251 64.018 1.00 47.70 H new ATOM 0 HB3 CYS A 56 58.583 36.549 63.277 1.00 47.70 H new ATOM 0 HG CYS A 56 60.972 38.667 62.832 1.00 48.32 H new ATOM 303 N LYS A 57 58.996 40.280 64.587 1.00 49.11 N ANISOU 303 N LYS A 57 6411 6881 5366 551 587 -93 N ATOM 304 CA LYS A 57 58.527 41.603 64.143 1.00 51.17 C ANISOU 304 CA LYS A 57 6871 6896 5674 720 684 -140 C ATOM 305 C LYS A 57 59.340 42.213 62.981 1.00 49.85 C ANISOU 305 C LYS A 57 6904 6428 5607 552 637 -192 C ATOM 306 O LYS A 57 58.878 43.151 62.355 1.00 49.47 O ANISOU 306 O LYS A 57 7035 6151 5611 730 735 -129 O ATOM 307 CB LYS A 57 58.486 42.586 65.325 1.00 55.09 C ANISOU 307 CB LYS A 57 7588 7319 6024 882 843 -367 C ATOM 308 CG LYS A 57 57.465 42.235 66.416 1.00 58.28 C ANISOU 308 CG LYS A 57 7831 8014 6299 1145 962 -279 C ATOM 309 CD LYS A 57 57.660 43.056 67.700 1.00 61.17 C ANISOU 309 CD LYS A 57 8430 8365 6446 1281 1094 -571 C ATOM 0 H LYS A 57 59.743 40.299 65.013 1.00 49.11 H new ATOM 0 HA LYS A 57 57.633 41.455 63.796 1.00 51.17 H new ATOM 0 HB2 LYS A 57 59.368 42.627 65.726 1.00 55.09 H new ATOM 0 HB3 LYS A 57 58.287 43.473 64.986 1.00 55.09 H new ATOM 0 HG2 LYS A 57 56.569 42.384 66.075 1.00 58.28 H new ATOM 0 HG3 LYS A 57 57.535 41.291 66.627 1.00 58.28 H new ATOM 310 N GLU A 58 60.534 41.696 62.694 1.00 48.53 N ANISOU 310 N GLU A 58 6716 6270 5454 251 521 -282 N ATOM 311 CA GLU A 58 61.397 42.272 61.650 1.00 49.12 C ANISOU 311 CA GLU A 58 6968 6077 5615 60 530 -333 C ATOM 312 C GLU A 58 62.205 41.184 60.953 1.00 45.68 C ANISOU 312 C GLU A 58 6352 5794 5209 -164 371 -278 C ATOM 313 O GLU A 58 62.841 40.356 61.594 1.00 44.13 O ANISOU 313 O GLU A 58 6004 5814 4947 -276 279 -362 O ATOM 314 CB GLU A 58 62.326 43.374 62.206 1.00 52.88 C ANISOU 314 CB GLU A 58 7703 6305 6082 -121 656 -655 C ATOM 315 CG GLU A 58 63.329 43.909 61.169 1.00 55.47 C ANISOU 315 CG GLU A 58 8193 6355 6529 -395 726 -705 C ATOM 316 CD GLU A 58 63.815 45.345 61.397 1.00 59.90 C ANISOU 316 CD GLU A 58 9104 6486 7168 -552 967 -969 C ATOM 317 OE1 GLU A 58 64.975 45.516 61.836 1.00 62.09 O ANISOU 317 OE1 GLU A 58 9344 6787 7458 -915 964 -1304 O ATOM 318 OE2 GLU A 58 63.062 46.311 61.106 1.00 63.04 O ANISOU 318 OE2 GLU A 58 9813 6518 7621 -316 1174 -856 O ATOM 0 H GLU A 58 60.867 41.010 63.091 1.00 48.53 H new ATOM 0 HA GLU A 58 60.815 42.691 60.997 1.00 49.12 H new ATOM 0 HB2 GLU A 58 61.785 44.110 62.532 1.00 52.88 H new ATOM 0 HB3 GLU A 58 62.814 43.022 62.967 1.00 52.88 H new ATOM 0 HG2 GLU A 58 64.101 43.322 61.156 1.00 55.47 H new ATOM 0 HG3 GLU A 58 62.920 43.859 60.291 1.00 55.47 H new ATOM 319 N ILE A 59 62.152 41.181 59.625 1.00 46.44 N ANISOU 319 N ILE A 59 4616 6244 6783 713 200 572 N ATOM 320 CA ILE A 59 62.934 40.258 58.810 1.00 43.69 C ANISOU 320 CA ILE A 59 4312 5974 6314 546 -7 485 C ATOM 321 C ILE A 59 63.854 41.155 58.006 1.00 43.17 C ANISOU 321 C ILE A 59 4370 5845 6186 563 -34 455 C ATOM 322 O ILE A 59 63.432 42.215 57.576 1.00 45.94 O ANISOU 322 O ILE A 59 4676 6163 6614 680 18 581 O ATOM 323 CB ILE A 59 62.032 39.369 57.923 1.00 44.43 C ANISOU 323 CB ILE A 59 4213 6241 6427 452 -187 611 C ATOM 324 CG1 ILE A 59 61.052 38.553 58.788 1.00 44.65 C ANISOU 324 CG1 ILE A 59 4104 6333 6525 428 -151 664 C ATOM 325 CG2 ILE A 59 62.868 38.392 57.114 1.00 43.00 C ANISOU 325 CG2 ILE A 59 4131 6101 6103 282 -362 493 C ATOM 326 CD1 ILE A 59 59.960 37.846 58.009 1.00 46.02 C ANISOU 326 CD1 ILE A 59 4064 6689 6729 322 -318 832 C ATOM 0 H ILE A 59 61.658 41.718 59.169 1.00 46.44 H new ATOM 0 HA ILE A 59 63.436 39.622 59.344 1.00 43.69 H new ATOM 0 HB ILE A 59 61.541 39.958 57.329 1.00 44.43 H new ATOM 0 HG12 ILE A 59 61.555 37.892 59.289 1.00 44.65 H new ATOM 0 HG13 ILE A 59 60.639 39.146 59.435 1.00 44.65 H new ATOM 0 HG21 ILE A 59 62.285 37.844 56.565 1.00 43.00 H new ATOM 0 HG22 ILE A 59 63.480 38.884 56.544 1.00 43.00 H new ATOM 0 HG23 ILE A 59 63.374 37.823 57.715 1.00 43.00 H new ATOM 0 HD11 ILE A 59 59.389 37.358 58.622 1.00 46.02 H new ATOM 0 HD12 ILE A 59 59.431 38.500 57.527 1.00 46.02 H new ATOM 0 HD13 ILE A 59 60.361 37.227 57.379 1.00 46.02 H new ATOM 327 N ILE A 60 65.121 40.760 57.878 1.00 41.58 N ANISOU 327 N ILE A 60 4321 5622 5855 459 -98 306 N ATOM 328 CA ILE A 60 66.124 41.502 57.128 1.00 40.99 C ANISOU 328 CA ILE A 60 4362 5508 5703 450 -131 276 C ATOM 329 C ILE A 60 66.760 40.592 56.079 1.00 40.10 C ANISOU 329 C ILE A 60 4260 5496 5479 331 -300 228 C ATOM 330 O ILE A 60 67.370 39.574 56.404 1.00 38.79 O ANISOU 330 O ILE A 60 4150 5343 5244 250 -327 119 O ATOM 331 CB ILE A 60 67.237 42.068 58.026 1.00 41.15 C ANISOU 331 CB ILE A 60 4573 5406 5656 437 -17 154 C ATOM 332 CG1 ILE A 60 66.653 42.988 59.096 1.00 43.26 C ANISOU 332 CG1 ILE A 60 4891 5542 6004 540 179 171 C ATOM 333 CG2 ILE A 60 68.251 42.867 57.200 1.00 41.59 C ANISOU 333 CG2 ILE A 60 4733 5436 5634 412 -60 147 C ATOM 334 CD1 ILE A 60 67.558 43.122 60.303 1.00 43.18 C ANISOU 334 CD1 ILE A 60 5065 5443 5897 463 279 34 C ATOM 0 H ILE A 60 65.424 40.038 58.233 1.00 41.58 H new ATOM 0 HA ILE A 60 65.667 42.249 56.710 1.00 40.99 H new ATOM 0 HB ILE A 60 67.680 41.315 58.447 1.00 41.15 H new ATOM 0 HG12 ILE A 60 66.497 43.866 58.714 1.00 43.26 H new ATOM 0 HG13 ILE A 60 65.791 42.644 59.378 1.00 43.26 H new ATOM 0 HG21 ILE A 60 68.943 43.214 57.784 1.00 41.59 H new ATOM 0 HG22 ILE A 60 68.652 42.289 56.533 1.00 41.59 H new ATOM 0 HG23 ILE A 60 67.800 43.604 56.759 1.00 41.59 H new ATOM 0 HD11 ILE A 60 67.146 43.713 60.952 1.00 43.18 H new ATOM 0 HD12 ILE A 60 67.696 42.249 60.703 1.00 43.18 H new ATOM 0 HD13 ILE A 60 68.412 43.489 60.028 1.00 43.18 H new ATOM 335 N VAL A 61 66.614 40.983 54.813 1.00 41.36 N ANISOU 335 N VAL A 61 4375 5721 5619 325 -399 318 N ATOM 336 CA VAL A 61 67.177 40.251 53.703 1.00 41.14 C ANISOU 336 CA VAL A 61 4383 5782 5466 213 -537 273 C ATOM 337 C VAL A 61 68.310 41.106 53.164 1.00 41.04 C ANISOU 337 C VAL A 61 4482 5734 5376 226 -524 249 C ATOM 338 O VAL A 61 68.123 42.281 52.856 1.00 42.08 O ANISOU 338 O VAL A 61 4599 5834 5555 296 -498 350 O ATOM 339 CB VAL A 61 66.127 39.975 52.621 1.00 43.03 C ANISOU 339 CB VAL A 61 4490 6153 5705 152 -678 403 C ATOM 340 CG1 VAL A 61 66.781 39.317 51.408 1.00 43.93 C ANISOU 340 CG1 VAL A 61 4693 6341 5654 23 -799 335 C ATOM 341 CG2 VAL A 61 65.015 39.092 53.183 1.00 43.52 C ANISOU 341 CG2 VAL A 61 4431 6265 5838 111 -699 442 C ATOM 0 H VAL A 61 66.180 41.688 54.582 1.00 41.36 H new ATOM 0 HA VAL A 61 67.498 39.381 53.988 1.00 41.14 H new ATOM 0 HB VAL A 61 65.736 40.816 52.337 1.00 43.03 H new ATOM 0 HG11 VAL A 61 66.108 39.147 50.730 1.00 43.93 H new ATOM 0 HG12 VAL A 61 67.461 39.907 51.047 1.00 43.93 H new ATOM 0 HG13 VAL A 61 67.189 38.479 51.675 1.00 43.93 H new ATOM 0 HG21 VAL A 61 64.356 38.923 52.492 1.00 43.52 H new ATOM 0 HG22 VAL A 61 65.391 38.250 53.484 1.00 43.52 H new ATOM 0 HG23 VAL A 61 64.591 39.542 53.931 1.00 43.52 H new ATOM 342 N THR A 62 69.488 40.509 53.078 1.00 39.72 N ANISOU 342 N THR A 62 4421 5571 5098 164 -532 130 N ATOM 343 CA THR A 62 70.673 41.214 52.678 1.00 39.87 C ANISOU 343 CA THR A 62 4534 5577 5038 161 -514 113 C ATOM 344 C THR A 62 71.286 40.463 51.507 1.00 39.62 C ANISOU 344 C THR A 62 4541 5637 4875 90 -596 72 C ATOM 345 O THR A 62 71.574 39.278 51.611 1.00 38.85 O ANISOU 345 O THR A 62 4476 5552 4732 51 -596 -15 O ATOM 346 CB THR A 62 71.702 41.293 53.820 1.00 40.13 C ANISOU 346 CB THR A 62 4653 5542 5053 157 -417 32 C ATOM 347 OG1 THR A 62 71.083 41.840 54.998 1.00 40.46 O ANISOU 347 OG1 THR A 62 4694 5488 5191 204 -323 41 O ATOM 348 CG2 THR A 62 72.943 42.160 53.387 1.00 40.68 C ANISOU 348 CG2 THR A 62 4804 5616 5036 130 -409 45 C ATOM 0 H THR A 62 69.615 39.677 53.253 1.00 39.72 H new ATOM 0 HA THR A 62 70.433 42.122 52.435 1.00 39.87 H new ATOM 0 HB THR A 62 72.018 40.398 54.022 1.00 40.13 H new ATOM 0 HG1 THR A 62 70.423 41.367 55.213 1.00 40.46 H new ATOM 0 HG21 THR A 62 73.581 42.200 54.117 1.00 40.68 H new ATOM 0 HG22 THR A 62 73.364 41.758 52.611 1.00 40.68 H new ATOM 0 HG23 THR A 62 72.649 43.058 53.166 1.00 40.68 H new ATOM 349 N ILE A 63 71.480 41.166 50.397 1.00 40.20 N ANISOU 349 N ILE A 63 4623 5764 4887 77 -651 141 N ATOM 350 CA ILE A 63 72.256 40.657 49.285 1.00 39.40 C ANISOU 350 CA ILE A 63 4587 5744 4637 14 -695 98 C ATOM 351 C ILE A 63 73.687 41.091 49.526 1.00 37.77 C ANISOU 351 C ILE A 63 4448 5521 4382 35 -618 69 C ATOM 352 O ILE A 63 74.006 42.276 49.488 1.00 37.69 O ANISOU 352 O ILE A 63 4444 5490 4383 49 -605 141 O ATOM 353 CB ILE A 63 71.797 41.232 47.938 1.00 40.81 C ANISOU 353 CB ILE A 63 4739 6014 4752 -28 -797 204 C ATOM 354 CG1 ILE A 63 70.298 40.982 47.733 1.00 41.24 C ANISOU 354 CG1 ILE A 63 4686 6117 4864 -64 -893 289 C ATOM 355 CG2 ILE A 63 72.650 40.642 46.803 1.00 41.31 C ANISOU 355 CG2 ILE A 63 4899 6159 4634 -101 -817 138 C ATOM 356 CD1 ILE A 63 69.769 41.522 46.419 1.00 42.96 C ANISOU 356 CD1 ILE A 63 4853 6455 5014 -126 -1015 430 C ATOM 0 H ILE A 63 71.162 41.955 50.271 1.00 40.20 H new ATOM 0 HA ILE A 63 72.151 39.694 49.238 1.00 39.40 H new ATOM 0 HB ILE A 63 71.926 42.193 47.932 1.00 40.81 H new ATOM 0 HG12 ILE A 63 70.128 40.028 47.774 1.00 41.24 H new ATOM 0 HG13 ILE A 63 69.807 41.390 48.463 1.00 41.24 H new ATOM 0 HG21 ILE A 63 72.357 41.008 45.954 1.00 41.31 H new ATOM 0 HG22 ILE A 63 73.582 40.868 46.947 1.00 41.31 H new ATOM 0 HG23 ILE A 63 72.550 39.677 46.791 1.00 41.31 H new ATOM 0 HD11 ILE A 63 68.820 41.333 46.350 1.00 42.96 H new ATOM 0 HD12 ILE A 63 69.911 42.481 46.382 1.00 42.96 H new ATOM 0 HD13 ILE A 63 70.237 41.098 45.683 1.00 42.96 H new ATOM 357 N HIS A 64 74.540 40.121 49.770 1.00 37.12 N ANISOU 357 N HIS A 64 4410 5448 4245 31 -564 -18 N ATOM 358 CA HIS A 64 75.948 40.393 49.992 1.00 38.36 C ANISOU 358 CA HIS A 64 4595 5628 4351 42 -497 -13 C ATOM 359 C HIS A 64 76.707 40.526 48.678 1.00 40.24 C ANISOU 359 C HIS A 64 4870 5959 4459 23 -506 10 C ATOM 360 O HIS A 64 76.183 40.215 47.592 1.00 41.21 O ANISOU 360 O HIS A 64 5022 6125 4510 -7 -560 -2 O ATOM 361 CB HIS A 64 76.535 39.303 50.874 1.00 38.06 C ANISOU 361 CB HIS A 64 4559 5572 4330 67 -424 -74 C ATOM 362 CG HIS A 64 75.871 39.230 52.208 1.00 37.66 C ANISOU 362 CG HIS A 64 4476 5444 4389 72 -410 -91 C ATOM 363 ND1 HIS A 64 76.289 39.985 53.279 1.00 37.01 N ANISOU 363 ND1 HIS A 64 4389 5335 4338 53 -374 -59 N ATOM 364 CD2 HIS A 64 74.766 38.563 52.621 1.00 37.99 C ANISOU 364 CD2 HIS A 64 4496 5435 4503 76 -428 -130 C ATOM 365 CE1 HIS A 64 75.494 39.762 54.311 1.00 37.87 C ANISOU 365 CE1 HIS A 64 4483 5376 4530 58 -356 -87 C ATOM 366 NE2 HIS A 64 74.559 38.904 53.940 1.00 38.88 N ANISOU 366 NE2 HIS A 64 4586 5493 4693 80 -388 -123 N ATOM 0 H HIS A 64 74.325 39.289 49.812 1.00 37.12 H new ATOM 0 HA HIS A 64 76.038 41.245 50.446 1.00 38.36 H new ATOM 0 HB2 HIS A 64 76.449 38.447 50.426 1.00 38.06 H new ATOM 0 HB3 HIS A 64 77.483 39.465 50.996 1.00 38.06 H new ATOM 0 HD1 HIS A 64 76.963 40.519 53.277 1.00 37.01 H new ATOM 0 HD2 HIS A 64 74.246 37.985 52.111 1.00 37.99 H new ATOM 0 HE1 HIS A 64 75.578 40.144 55.155 1.00 37.87 H new ATOM 367 N ALA A 65 77.945 40.983 48.806 1.00 41.19 N ANISOU 367 N ALA A 65 4987 6124 4536 23 -454 54 N ATOM 368 CA ALA A 65 78.857 41.188 47.684 1.00 42.27 C ANISOU 368 CA ALA A 65 5145 6366 4550 12 -438 95 C ATOM 369 C ALA A 65 79.697 39.960 47.306 1.00 42.31 C ANISOU 369 C ALA A 65 5175 6423 4476 64 -340 43 C ATOM 370 O ALA A 65 80.519 40.059 46.394 1.00 44.05 O ANISOU 370 O ALA A 65 5412 6737 4587 69 -296 78 O ATOM 371 CB ALA A 65 79.783 42.356 48.005 1.00 42.64 C ANISOU 371 CB ALA A 65 5164 6446 4589 -28 -430 196 C ATOM 0 H ALA A 65 78.289 41.189 49.567 1.00 41.19 H new ATOM 0 HA ALA A 65 78.299 41.372 46.912 1.00 42.27 H new ATOM 0 HB1 ALA A 65 80.393 42.499 47.264 1.00 42.64 H new ATOM 0 HB2 ALA A 65 79.256 43.157 48.149 1.00 42.64 H new ATOM 0 HB3 ALA A 65 80.291 42.156 48.807 1.00 42.64 H new ATOM 372 N ASP A 66 79.488 38.833 47.993 1.00 40.78 N ANISOU 372 N ASP A 66 4990 6163 4340 110 -291 -31 N ATOM 373 CA ASP A 66 80.184 37.560 47.742 1.00 40.78 C ANISOU 373 CA ASP A 66 5034 6165 4293 188 -168 -81 C ATOM 374 C ASP A 66 79.234 36.493 47.175 1.00 40.52 C ANISOU 374 C ASP A 66 5122 6049 4223 170 -172 -207 C ATOM 375 O ASP A 66 79.428 35.288 47.381 1.00 39.13 O ANISOU 375 O ASP A 66 5008 5800 4058 231 -72 -273 O ATOM 376 CB ASP A 66 80.839 37.043 49.056 1.00 40.58 C ANISOU 376 CB ASP A 66 4929 6122 4365 251 -96 -39 C ATOM 377 CG ASP A 66 79.816 36.627 50.122 1.00 39.88 C ANISOU 377 CG ASP A 66 4837 5925 4388 230 -146 -96 C ATOM 378 OD1 ASP A 66 78.645 37.027 50.039 1.00 40.31 O ANISOU 378 OD1 ASP A 66 4914 5932 4467 168 -242 -138 O ATOM 379 OD2 ASP A 66 80.173 35.899 51.064 1.00 40.16 O ANISOU 379 OD2 ASP A 66 4833 5933 4491 280 -85 -79 O ATOM 0 H ASP A 66 78.921 38.784 48.638 1.00 40.78 H new ATOM 0 HA ASP A 66 80.872 37.726 47.079 1.00 40.78 H new ATOM 0 HB2 ASP A 66 81.408 36.285 48.850 1.00 40.58 H new ATOM 0 HB3 ASP A 66 81.411 37.737 49.419 1.00 40.58 H new ATOM 380 N ASN A 67 78.192 36.944 46.489 1.00 40.89 N ANISOU 380 N ASN A 67 5203 6104 4227 76 -292 -226 N ATOM 381 CA ASN A 67 77.217 36.046 45.869 1.00 41.77 C ANISOU 381 CA ASN A 67 5430 6166 4275 0 -332 -327 C ATOM 382 C ASN A 67 76.447 35.200 46.894 1.00 40.63 C ANISOU 382 C ASN A 67 5277 5911 4247 -1 -343 -381 C ATOM 383 O ASN A 67 76.144 34.052 46.639 1.00 41.35 O ANISOU 383 O ASN A 67 5492 5927 4291 -35 -307 -480 O ATOM 384 CB ASN A 67 77.904 35.162 44.802 1.00 43.26 C ANISOU 384 CB ASN A 67 5783 6353 4301 13 -209 -414 C ATOM 385 CG ASN A 67 76.923 34.524 43.838 1.00 45.00 C ANISOU 385 CG ASN A 67 6161 6550 4387 -131 -278 -513 C ATOM 386 OD1 ASN A 67 75.798 34.997 43.653 1.00 45.20 O ANISOU 386 OD1 ASN A 67 6136 6621 4414 -253 -447 -472 O ATOM 387 ND2 ASN A 67 77.341 33.427 43.236 1.00 46.49 N ANISOU 387 ND2 ASN A 67 6545 6665 4453 -125 -141 -633 N ATOM 0 H ASN A 67 78.027 37.779 46.368 1.00 40.89 H new ATOM 0 HA ASN A 67 76.553 36.601 45.431 1.00 41.77 H new ATOM 0 HB2 ASN A 67 78.537 35.701 44.302 1.00 43.26 H new ATOM 0 HB3 ASN A 67 78.413 34.465 45.246 1.00 43.26 H new ATOM 0 HD21 ASN A 67 76.822 33.012 42.690 1.00 46.49 H new ATOM 0 HD22 ASN A 67 78.132 33.127 43.390 1.00 46.49 H new ATOM 388 N SER A 68 76.143 35.781 48.051 1.00 39.42 N ANISOU 388 N SER A 68 4997 5743 4238 24 -384 -318 N ATOM 389 CA SER A 68 75.270 35.145 49.029 1.00 38.93 C ANISOU 389 CA SER A 68 4906 5598 4284 9 -408 -349 C ATOM 390 C SER A 68 74.136 36.076 49.424 1.00 38.69 C ANISOU 390 C SER A 68 4768 5589 4344 -31 -519 -278 C ATOM 391 O SER A 68 74.267 37.297 49.317 1.00 37.74 O ANISOU 391 O SER A 68 4589 5514 4235 -15 -548 -197 O ATOM 392 CB SER A 68 76.046 34.695 50.261 1.00 38.10 C ANISOU 392 CB SER A 68 4761 5443 4270 99 -307 -341 C ATOM 393 OG SER A 68 76.600 35.774 51.006 1.00 37.01 O ANISOU 393 OG SER A 68 4523 5354 4184 129 -305 -254 O ATOM 0 H SER A 68 76.437 36.553 48.290 1.00 39.42 H new ATOM 0 HA SER A 68 74.891 34.355 48.613 1.00 38.93 H new ATOM 0 HB2 SER A 68 75.457 34.182 50.836 1.00 38.10 H new ATOM 0 HB3 SER A 68 76.761 34.101 49.985 1.00 38.10 H new ATOM 0 HG SER A 68 77.237 36.113 50.577 1.00 37.01 H new ATOM 394 N VAL A 69 73.009 35.474 49.818 1.00 39.23 N ANISOU 394 N VAL A 69 4815 5617 4472 -84 -572 -297 N ATOM 395 CA VAL A 69 71.943 36.159 50.536 1.00 39.92 C ANISOU 395 CA VAL A 69 4778 5708 4681 -83 -629 -218 C ATOM 396 C VAL A 69 71.857 35.656 51.990 1.00 38.94 C ANISOU 396 C VAL A 69 4617 5509 4668 -42 -563 -243 C ATOM 397 O VAL A 69 72.064 34.467 52.275 1.00 39.17 O ANISOU 397 O VAL A 69 4708 5484 4689 -55 -523 -313 O ATOM 398 CB VAL A 69 70.593 35.966 49.843 1.00 42.68 C ANISOU 398 CB VAL A 69 5088 6113 5014 -190 -753 -174 C ATOM 399 CG1 VAL A 69 69.430 36.502 50.681 1.00 43.69 C ANISOU 399 CG1 VAL A 69 5062 6246 5290 -163 -781 -73 C ATOM 400 CG2 VAL A 69 70.601 36.733 48.556 1.00 45.67 C ANISOU 400 CG2 VAL A 69 5471 6586 5293 -232 -830 -109 C ATOM 0 H VAL A 69 72.845 34.643 49.670 1.00 39.23 H new ATOM 0 HA VAL A 69 72.155 37.106 50.539 1.00 39.92 H new ATOM 0 HB VAL A 69 70.470 35.014 49.707 1.00 42.68 H new ATOM 0 HG11 VAL A 69 68.596 36.360 50.206 1.00 43.69 H new ATOM 0 HG12 VAL A 69 69.401 36.035 51.531 1.00 43.69 H new ATOM 0 HG13 VAL A 69 69.554 37.451 50.838 1.00 43.69 H new ATOM 0 HG21 VAL A 69 69.749 36.619 48.106 1.00 45.67 H new ATOM 0 HG22 VAL A 69 70.745 37.674 48.741 1.00 45.67 H new ATOM 0 HG23 VAL A 69 71.314 36.403 47.987 1.00 45.67 H new ATOM 401 N SER A 70 71.550 36.570 52.903 1.00 37.89 N ANISOU 401 N SER A 70 4400 5363 4633 6 -540 -183 N ATOM 402 CA SER A 70 71.219 36.204 54.261 1.00 37.33 C ANISOU 402 CA SER A 70 4289 5239 4654 25 -487 -194 C ATOM 403 C SER A 70 69.820 36.687 54.555 1.00 38.53 C ANISOU 403 C SER A 70 4336 5400 4902 28 -518 -120 C ATOM 404 O SER A 70 69.387 37.749 54.062 1.00 38.90 O ANISOU 404 O SER A 70 4334 5473 4971 58 -543 -38 O ATOM 405 CB SER A 70 72.212 36.777 55.239 1.00 36.11 C ANISOU 405 CB SER A 70 4152 5059 4507 69 -402 -194 C ATOM 406 OG SER A 70 72.128 38.174 55.219 1.00 37.48 O ANISOU 406 OG SER A 70 4315 5228 4696 93 -392 -140 O ATOM 0 H SER A 70 71.529 37.416 52.748 1.00 37.89 H new ATOM 0 HA SER A 70 71.259 35.240 54.358 1.00 37.33 H new ATOM 0 HB2 SER A 70 72.031 36.445 56.132 1.00 36.11 H new ATOM 0 HB3 SER A 70 73.110 36.493 55.008 1.00 36.11 H new ATOM 0 HG SER A 70 72.821 38.492 54.866 1.00 37.48 H new ATOM 407 N VAL A 71 69.102 35.879 55.327 1.00 38.16 N ANISOU 407 N VAL A 71 4246 5334 4918 3 -509 -129 N ATOM 408 CA VAL A 71 67.819 36.268 55.871 1.00 39.20 C ANISOU 408 CA VAL A 71 4255 5481 5157 24 -503 -43 C ATOM 409 C VAL A 71 67.986 36.177 57.374 1.00 39.68 C ANISOU 409 C VAL A 71 4323 5481 5269 62 -392 -77 C ATOM 410 O VAL A 71 68.473 35.169 57.875 1.00 37.30 O ANISOU 410 O VAL A 71 4072 5156 4944 22 -380 -140 O ATOM 411 CB VAL A 71 66.693 35.351 55.381 1.00 39.82 C ANISOU 411 CB VAL A 71 4260 5622 5246 -73 -606 -1 C ATOM 412 CG1 VAL A 71 65.335 35.878 55.836 1.00 40.45 C ANISOU 412 CG1 VAL A 71 4169 5753 5447 -34 -595 134 C ATOM 413 CG2 VAL A 71 66.726 35.252 53.850 1.00 41.09 C ANISOU 413 CG2 VAL A 71 4460 5850 5301 -159 -726 8 C ATOM 0 H VAL A 71 69.351 35.086 55.548 1.00 38.16 H new ATOM 0 HA VAL A 71 67.567 37.160 55.586 1.00 39.20 H new ATOM 0 HB VAL A 71 66.827 34.469 55.762 1.00 39.82 H new ATOM 0 HG11 VAL A 71 64.635 35.287 55.518 1.00 40.45 H new ATOM 0 HG12 VAL A 71 65.310 35.915 56.805 1.00 40.45 H new ATOM 0 HG13 VAL A 71 65.195 36.767 55.475 1.00 40.45 H new ATOM 0 HG21 VAL A 71 66.011 34.670 53.548 1.00 41.09 H new ATOM 0 HG22 VAL A 71 66.608 36.135 53.466 1.00 41.09 H new ATOM 0 HG23 VAL A 71 67.580 34.888 53.567 1.00 41.09 H new ATOM 414 N GLN A 72 67.615 37.252 58.074 1.00 41.93 N ANISOU 414 N GLN A 72 4577 5735 5620 138 -302 -30 N ATOM 415 CA GLN A 72 67.745 37.351 59.526 1.00 41.99 C ANISOU 415 CA GLN A 72 4617 5687 5649 157 -183 -65 C ATOM 416 C GLN A 72 66.387 37.758 60.081 1.00 42.26 C ANISOU 416 C GLN A 72 4544 5719 5793 222 -107 16 C ATOM 417 O GLN A 72 65.848 38.787 59.690 1.00 42.59 O ANISOU 417 O GLN A 72 4543 5746 5892 307 -70 95 O ATOM 418 CB GLN A 72 68.827 38.391 59.877 1.00 43.84 C ANISOU 418 CB GLN A 72 4972 5862 5819 172 -111 -106 C ATOM 419 CG GLN A 72 68.898 38.832 61.346 1.00 46.25 C ANISOU 419 CG GLN A 72 5347 6107 6118 168 21 -139 C ATOM 420 CD GLN A 72 69.606 37.830 62.258 1.00 48.64 C ANISOU 420 CD GLN A 72 5678 6441 6359 84 15 -187 C ATOM 421 OE1 GLN A 72 68.972 37.080 63.030 1.00 51.78 O ANISOU 421 OE1 GLN A 72 6024 6852 6797 71 43 -182 O ATOM 422 NE2 GLN A 72 70.938 37.822 62.187 1.00 49.70 N ANISOU 422 NE2 GLN A 72 5883 6600 6400 26 -19 -208 N ATOM 0 H GLN A 72 67.276 37.954 57.711 1.00 41.93 H new ATOM 0 HA GLN A 72 68.015 36.504 59.915 1.00 41.99 H new ATOM 0 HB2 GLN A 72 69.691 38.028 59.626 1.00 43.84 H new ATOM 0 HB3 GLN A 72 68.681 39.178 59.330 1.00 43.84 H new ATOM 0 HG2 GLN A 72 69.358 39.684 61.397 1.00 46.25 H new ATOM 0 HG3 GLN A 72 67.997 38.976 61.676 1.00 46.25 H new ATOM 0 HE21 GLN A 72 71.343 38.352 61.644 1.00 49.70 H new ATOM 0 HE22 GLN A 72 71.392 37.287 62.684 1.00 49.70 H new ATOM 423 N ASP A 73 65.835 36.956 60.984 1.00 40.76 N ANISOU 423 N ASP A 73 4301 5544 5639 193 -74 15 N ATOM 424 CA ASP A 73 64.629 37.337 61.704 1.00 41.00 C ANISOU 424 CA ASP A 73 4229 5578 5771 267 35 97 C ATOM 425 C ASP A 73 64.957 37.596 63.178 1.00 40.07 C ANISOU 425 C ASP A 73 4214 5390 5621 276 192 27 C ATOM 426 O ASP A 73 66.044 37.263 63.662 1.00 36.85 O ANISOU 426 O ASP A 73 3924 4961 5115 198 180 -63 O ATOM 427 CB ASP A 73 63.498 36.309 61.511 1.00 42.06 C ANISOU 427 CB ASP A 73 4196 5813 5970 212 -49 186 C ATOM 428 CG ASP A 73 63.706 34.998 62.283 1.00 42.43 C ANISOU 428 CG ASP A 73 4273 5865 5983 106 -71 123 C ATOM 429 OD1 ASP A 73 64.042 35.046 63.487 1.00 42.79 O ANISOU 429 OD1 ASP A 73 4385 5865 6007 117 42 71 O ATOM 430 OD2 ASP A 73 63.468 33.907 61.703 1.00 42.95 O ANISOU 430 OD2 ASP A 73 4301 5976 6038 0 -201 134 O ATOM 0 H ASP A 73 66.146 36.182 61.195 1.00 40.76 H new ATOM 0 HA ASP A 73 64.292 38.167 61.331 1.00 41.00 H new ATOM 0 HB2 ASP A 73 62.659 36.708 61.791 1.00 42.06 H new ATOM 0 HB3 ASP A 73 63.415 36.107 60.566 1.00 42.06 H new ATOM 431 N ASP A 74 64.008 38.213 63.871 1.00 41.11 N ANISOU 431 N ASP A 74 4295 5495 5829 370 345 85 N ATOM 432 CA ASP A 74 64.142 38.478 65.314 1.00 42.61 C ANISOU 432 CA ASP A 74 4598 5619 5970 367 517 17 C ATOM 433 C ASP A 74 63.157 37.637 66.150 1.00 41.85 C ANISOU 433 C ASP A 74 4376 5594 5930 357 569 72 C ATOM 434 O ASP A 74 62.703 38.063 67.186 1.00 43.93 O ANISOU 434 O ASP A 74 4677 5818 6197 407 753 68 O ATOM 435 CB ASP A 74 64.036 39.997 65.611 1.00 43.85 C ANISOU 435 CB ASP A 74 4877 5645 6138 482 711 7 C ATOM 436 CG ASP A 74 62.665 40.601 65.292 1.00 46.72 C ANISOU 436 CG ASP A 74 5084 6004 6660 660 823 155 C ATOM 437 OD1 ASP A 74 61.730 39.914 64.769 1.00 48.54 O ANISOU 437 OD1 ASP A 74 5085 6364 6992 680 729 286 O ATOM 438 OD2 ASP A 74 62.523 41.813 65.571 1.00 48.66 O ANISOU 438 OD2 ASP A 74 5444 6112 6929 778 1016 153 O ATOM 0 H ASP A 74 63.270 38.491 63.528 1.00 41.11 H new ATOM 0 HA ASP A 74 65.029 38.196 65.587 1.00 42.61 H new ATOM 0 HB2 ASP A 74 64.236 40.148 66.548 1.00 43.85 H new ATOM 0 HB3 ASP A 74 64.713 40.465 65.098 1.00 43.85 H new ATOM 439 N GLY A 75 62.837 36.437 65.687 1.00 40.50 N ANISOU 439 N GLY A 75 4073 5522 5792 279 413 122 N ATOM 440 CA GLY A 75 61.933 35.567 66.416 1.00 40.87 C ANISOU 440 CA GLY A 75 3996 5644 5889 242 440 187 C ATOM 441 C GLY A 75 62.637 34.756 67.493 1.00 39.76 C ANISOU 441 C GLY A 75 3959 5493 5653 130 449 102 C ATOM 442 O GLY A 75 63.740 35.092 67.944 1.00 37.02 O ANISOU 442 O GLY A 75 3779 5087 5199 96 479 4 O ATOM 0 H GLY A 75 63.134 36.108 64.950 1.00 40.50 H new ATOM 0 HA2 GLY A 75 61.235 36.102 66.824 1.00 40.87 H new ATOM 0 HA3 GLY A 75 61.500 34.963 65.793 1.00 40.87 H new ATOM 443 N ARG A 76 62.007 33.651 67.861 1.00 39.65 N ANISOU 443 N ARG A 76 3837 5551 5677 57 405 162 N ATOM 444 CA ARG A 76 62.477 32.828 68.975 1.00 39.91 C ANISOU 444 CA ARG A 76 3938 5587 5638 -42 423 122 C ATOM 445 C ARG A 76 63.766 32.072 68.725 1.00 38.94 C ANISOU 445 C ARG A 76 3924 5431 5440 -132 293 56 C ATOM 446 O ARG A 76 64.361 31.588 69.671 1.00 39.05 O ANISOU 446 O ARG A 76 4004 5447 5384 -201 315 38 O ATOM 447 CB ARG A 76 61.419 31.809 69.352 1.00 40.25 C ANISOU 447 CB ARG A 76 3830 5711 5752 -104 404 223 C ATOM 448 CG ARG A 76 60.180 32.448 69.903 1.00 41.87 C ANISOU 448 CG ARG A 76 3908 5971 6027 -9 572 315 C ATOM 449 CD ARG A 76 59.111 31.397 70.069 1.00 43.85 C ANISOU 449 CD ARG A 76 3976 6328 6354 -90 519 442 C ATOM 450 NE ARG A 76 58.488 31.059 68.797 1.00 45.13 N ANISOU 450 NE ARG A 76 3997 6551 6599 -126 355 536 N ATOM 451 CZ ARG A 76 57.388 30.328 68.660 1.00 46.58 C ANISOU 451 CZ ARG A 76 3992 6848 6857 -212 287 680 C ATOM 452 NH1 ARG A 76 56.785 29.819 69.719 1.00 48.08 N ANISOU 452 NH1 ARG A 76 4103 7101 7063 -254 374 749 N ATOM 453 NH2 ARG A 76 56.896 30.096 67.448 1.00 47.22 N ANISOU 453 NH2 ARG A 76 3966 6993 6983 -279 121 763 N ATOM 0 H ARG A 76 61.297 33.354 67.477 1.00 39.65 H new ATOM 0 HA ARG A 76 62.653 33.465 69.685 1.00 39.91 H new ATOM 0 HB2 ARG A 76 61.188 31.282 68.571 1.00 40.25 H new ATOM 0 HB3 ARG A 76 61.784 31.196 70.010 1.00 40.25 H new ATOM 0 HG2 ARG A 76 60.372 32.867 70.756 1.00 41.87 H new ATOM 0 HG3 ARG A 76 59.871 33.147 69.306 1.00 41.87 H new ATOM 0 HD2 ARG A 76 59.499 30.599 70.462 1.00 43.85 H new ATOM 0 HD3 ARG A 76 58.435 31.717 70.686 1.00 43.85 H new ATOM 0 HE ARG A 76 58.860 31.355 68.081 1.00 45.13 H new ATOM 0 HH11 ARG A 76 57.104 29.960 70.505 1.00 48.08 H new ATOM 0 HH12 ARG A 76 56.073 29.347 69.623 1.00 48.08 H new ATOM 0 HH21 ARG A 76 57.290 30.419 66.755 1.00 47.22 H new ATOM 0 HH22 ARG A 76 56.184 29.623 67.356 1.00 47.22 H new ATOM 454 N GLY A 77 64.170 31.929 67.468 1.00 38.79 N ANISOU 454 N GLY A 77 3916 5389 5434 -128 166 37 N ATOM 455 CA GLY A 77 65.326 31.108 67.127 1.00 39.33 C ANISOU 455 CA GLY A 77 4072 5419 5449 -185 67 -7 C ATOM 456 C GLY A 77 64.883 29.691 66.790 1.00 41.00 C ANISOU 456 C GLY A 77 4240 5625 5712 -267 -30 29 C ATOM 457 O GLY A 77 64.054 29.118 67.478 1.00 41.29 O ANISOU 457 O GLY A 77 4201 5694 5790 -320 -8 89 O ATOM 0 H GLY A 77 63.786 32.301 66.794 1.00 38.79 H new ATOM 0 HA2 GLY A 77 65.795 31.496 66.372 1.00 39.33 H new ATOM 0 HA3 GLY A 77 65.950 31.091 67.870 1.00 39.33 H new ATOM 458 N ILE A 78 65.397 29.149 65.692 1.00 41.52 N ANISOU 458 N ILE A 78 4367 5641 5766 -286 -128 -6 N ATOM 459 CA ILE A 78 65.259 27.727 65.382 1.00 41.64 C ANISOU 459 CA ILE A 78 4414 5600 5804 -378 -204 1 C ATOM 460 C ILE A 78 65.689 26.891 66.641 1.00 42.00 C ANISOU 460 C ILE A 78 4486 5620 5851 -407 -151 38 C ATOM 461 O ILE A 78 66.655 27.237 67.338 1.00 40.75 O ANISOU 461 O ILE A 78 4363 5473 5644 -360 -94 36 O ATOM 462 CB ILE A 78 66.060 27.366 64.082 1.00 40.51 C ANISOU 462 CB ILE A 78 4392 5379 5619 -372 -270 -67 C ATOM 463 CG1 ILE A 78 65.237 27.763 62.850 1.00 41.14 C ANISOU 463 CG1 ILE A 78 4433 5501 5696 -413 -357 -71 C ATOM 464 CG2 ILE A 78 66.419 25.878 63.999 1.00 41.35 C ANISOU 464 CG2 ILE A 78 4607 5369 5732 -434 -288 -80 C ATOM 465 CD1 ILE A 78 65.963 27.674 61.527 1.00 40.58 C ANISOU 465 CD1 ILE A 78 4486 5375 5557 -409 -408 -147 C ATOM 0 H ILE A 78 65.837 29.595 65.103 1.00 41.52 H new ATOM 0 HA ILE A 78 64.335 27.506 65.188 1.00 41.64 H new ATOM 0 HB ILE A 78 66.894 27.860 64.112 1.00 40.51 H new ATOM 0 HG12 ILE A 78 64.451 27.196 62.809 1.00 41.14 H new ATOM 0 HG13 ILE A 78 64.924 28.673 62.969 1.00 41.14 H new ATOM 0 HG21 ILE A 78 66.911 25.709 63.180 1.00 41.35 H new ATOM 0 HG22 ILE A 78 66.967 25.634 64.761 1.00 41.35 H new ATOM 0 HG23 ILE A 78 65.606 25.348 64.003 1.00 41.35 H new ATOM 0 HD11 ILE A 78 65.366 27.943 60.811 1.00 40.58 H new ATOM 0 HD12 ILE A 78 66.735 28.261 61.541 1.00 40.58 H new ATOM 0 HD13 ILE A 78 66.255 26.761 61.378 1.00 40.58 H new ATOM 466 N PRO A 79 64.951 25.816 66.949 1.00 43.45 N ANISOU 466 N PRO A 79 4643 5782 6083 -503 -180 88 N ATOM 467 CA PRO A 79 65.313 24.973 68.096 1.00 43.78 C ANISOU 467 CA PRO A 79 4705 5799 6132 -536 -138 145 C ATOM 468 C PRO A 79 66.716 24.355 67.981 1.00 42.99 C ANISOU 468 C PRO A 79 4720 5603 6010 -484 -131 136 C ATOM 469 O PRO A 79 67.114 23.935 66.904 1.00 42.60 O ANISOU 469 O PRO A 79 4765 5455 5963 -465 -166 83 O ATOM 470 CB PRO A 79 64.231 23.877 68.083 1.00 45.58 C ANISOU 470 CB PRO A 79 4902 5995 6418 -665 -191 197 C ATOM 471 CG PRO A 79 63.634 23.916 66.716 1.00 46.28 C ANISOU 471 CG PRO A 79 5003 6069 6513 -716 -283 153 C ATOM 472 CD PRO A 79 63.705 25.349 66.298 1.00 45.37 C ANISOU 472 CD PRO A 79 4827 6040 6371 -610 -262 119 C ATOM 0 HA PRO A 79 65.348 25.486 68.918 1.00 43.78 H new ATOM 0 HB2 PRO A 79 64.615 23.006 68.271 1.00 45.58 H new ATOM 0 HB3 PRO A 79 63.558 24.043 68.762 1.00 45.58 H new ATOM 0 HG2 PRO A 79 64.125 23.347 66.103 1.00 46.28 H new ATOM 0 HG3 PRO A 79 62.717 23.599 66.725 1.00 46.28 H new ATOM 0 HD2 PRO A 79 63.746 25.441 65.333 1.00 45.37 H new ATOM 0 HD3 PRO A 79 62.931 25.851 66.599 1.00 45.37 H new ATOM 473 N THR A 80 67.439 24.328 69.096 1.00 42.49 N ANISOU 473 N THR A 80 4644 5580 5918 -465 -78 201 N ATOM 474 CA THR A 80 68.821 23.902 69.128 1.00 43.60 C ANISOU 474 CA THR A 80 4845 5675 6045 -398 -61 244 C ATOM 475 C THR A 80 69.073 22.637 69.951 1.00 43.19 C ANISOU 475 C THR A 80 4802 5567 6040 -426 -43 362 C ATOM 476 O THR A 80 70.202 22.179 70.047 1.00 43.83 O ANISOU 476 O THR A 80 4909 5614 6129 -355 -18 440 O ATOM 477 CB THR A 80 69.724 25.042 69.651 1.00 44.62 C ANISOU 477 CB THR A 80 4942 5925 6083 -361 -32 258 C ATOM 478 OG1 THR A 80 69.401 25.344 71.017 1.00 47.10 O ANISOU 478 OG1 THR A 80 5204 6345 6346 -438 2 313 O ATOM 479 CG2 THR A 80 69.542 26.290 68.794 1.00 44.69 C ANISOU 479 CG2 THR A 80 4961 5964 6056 -325 -42 150 C ATOM 0 H THR A 80 67.130 24.561 69.864 1.00 42.49 H new ATOM 0 HA THR A 80 69.043 23.681 68.210 1.00 43.60 H new ATOM 0 HB THR A 80 70.648 24.752 69.600 1.00 44.62 H new ATOM 0 HG1 THR A 80 69.964 25.885 71.325 1.00 47.10 H new ATOM 0 HG21 THR A 80 70.112 26.999 69.130 1.00 44.69 H new ATOM 0 HG22 THR A 80 69.782 26.090 67.876 1.00 44.69 H new ATOM 0 HG23 THR A 80 68.616 26.576 68.831 1.00 44.69 H new ATOM 480 N GLY A 81 68.044 22.037 70.509 1.00 43.51 N ANISOU 480 N GLY A 81 4813 5597 6120 -523 -52 398 N ATOM 481 CA GLY A 81 68.254 20.857 71.339 1.00 46.22 C ANISOU 481 CA GLY A 81 5167 5884 6510 -556 -34 526 C ATOM 482 C GLY A 81 68.785 19.640 70.603 1.00 47.02 C ANISOU 482 C GLY A 81 5394 5780 6690 -502 -23 544 C ATOM 483 O GLY A 81 68.555 19.484 69.413 1.00 48.36 O ANISOU 483 O GLY A 81 5663 5835 6876 -497 -40 433 O ATOM 0 H GLY A 81 67.225 22.286 70.426 1.00 43.51 H new ATOM 0 HA2 GLY A 81 68.874 21.084 72.050 1.00 46.22 H new ATOM 0 HA3 GLY A 81 67.413 20.621 71.761 1.00 46.22 H new ATOM 484 N ILE A 82 69.486 18.781 71.329 1.00 48.12 N ANISOU 484 N ILE A 82 5538 5871 6873 -466 16 692 N ATOM 485 CA ILE A 82 70.034 17.536 70.799 1.00 49.85 C ANISOU 485 CA ILE A 82 5891 5864 7184 -389 69 736 C ATOM 486 C ILE A 82 69.101 16.371 71.167 1.00 49.15 C ANISOU 486 C ILE A 82 5868 5641 7165 -514 59 781 C ATOM 487 O ILE A 82 68.560 16.317 72.266 1.00 48.72 O ANISOU 487 O ILE A 82 5711 5698 7103 -612 34 877 O ATOM 488 CB ILE A 82 71.448 17.222 71.377 1.00 52.61 C ANISOU 488 CB ILE A 82 6189 6235 7563 -248 132 923 C ATOM 489 CG1 ILE A 82 72.354 18.455 71.425 1.00 53.37 C ANISOU 489 CG1 ILE A 82 6174 6535 7568 -182 119 933 C ATOM 490 CG2 ILE A 82 72.149 16.135 70.573 1.00 54.77 C ANISOU 490 CG2 ILE A 82 6615 6255 7939 -105 231 952 C ATOM 491 CD1 ILE A 82 72.637 19.072 70.078 1.00 54.83 C ANISOU 491 CD1 ILE A 82 6430 6675 7727 -101 130 774 C ATOM 0 H ILE A 82 69.662 18.906 72.162 1.00 48.12 H new ATOM 0 HA ILE A 82 70.109 17.641 69.838 1.00 49.85 H new ATOM 0 HB ILE A 82 71.296 16.915 72.285 1.00 52.61 H new ATOM 0 HG12 ILE A 82 71.942 19.123 71.995 1.00 53.37 H new ATOM 0 HG13 ILE A 82 73.196 18.209 71.839 1.00 53.37 H new ATOM 0 HG21 ILE A 82 73.023 15.962 70.956 1.00 54.77 H new ATOM 0 HG22 ILE A 82 71.620 15.322 70.597 1.00 54.77 H new ATOM 0 HG23 ILE A 82 72.251 16.427 69.654 1.00 54.77 H new ATOM 0 HD11 ILE A 82 73.214 19.844 70.190 1.00 54.83 H new ATOM 0 HD12 ILE A 82 73.076 18.420 69.509 1.00 54.83 H new ATOM 0 HD13 ILE A 82 71.803 19.349 69.667 1.00 54.83 H new ATOM 492 N HIS A 83 68.907 15.446 70.245 1.00 48.33 N ANISOU 492 N HIS A 83 5950 5294 7117 -527 84 710 N ATOM 493 CA HIS A 83 68.294 14.199 70.586 1.00 49.65 C ANISOU 493 CA HIS A 83 6215 5291 7357 -637 91 776 C ATOM 494 C HIS A 83 69.398 13.366 71.230 1.00 52.20 C ANISOU 494 C HIS A 83 6558 5506 7768 -489 191 966 C ATOM 495 O HIS A 83 70.405 13.105 70.580 1.00 52.30 O ANISOU 495 O HIS A 83 6670 5380 7821 -315 287 968 O ATOM 496 CB HIS A 83 67.747 13.517 69.353 1.00 49.90 C ANISOU 496 CB HIS A 83 6479 5084 7394 -730 88 626 C ATOM 497 CG HIS A 83 66.875 12.355 69.662 1.00 50.89 C ANISOU 497 CG HIS A 83 6713 5049 7573 -911 67 675 C ATOM 498 ND1 HIS A 83 67.302 11.290 70.422 1.00 51.47 N ANISOU 498 ND1 HIS A 83 6847 4964 7743 -864 146 836 N ATOM 499 CD2 HIS A 83 65.592 12.094 69.327 1.00 51.34 C ANISOU 499 CD2 HIS A 83 6819 5088 7598 -1153 -29 605 C ATOM 500 CE1 HIS A 83 66.319 10.419 70.537 1.00 53.32 C ANISOU 500 CE1 HIS A 83 7183 5071 8002 -1073 103 848 C ATOM 501 NE2 HIS A 83 65.270 10.883 69.884 1.00 52.96 N ANISOU 501 NE2 HIS A 83 7128 5118 7875 -1260 -8 710 N ATOM 0 H HIS A 83 69.126 15.529 69.418 1.00 48.33 H new ATOM 0 HA HIS A 83 67.542 14.319 71.187 1.00 49.65 H new ATOM 0 HB2 HIS A 83 67.244 14.161 68.831 1.00 49.90 H new ATOM 0 HB3 HIS A 83 68.487 13.220 68.800 1.00 49.90 H new ATOM 0 HD2 HIS A 83 65.033 12.634 68.816 1.00 51.34 H new ATOM 0 HE1 HIS A 83 66.358 9.613 71.000 1.00 53.32 H new ATOM 0 HE2 HIS A 83 64.508 10.490 69.818 1.00 52.96 H new ATOM 502 N PRO A 84 69.233 12.972 72.514 1.00 54.54 N ANISOU 502 N PRO A 84 6745 5881 8094 -547 178 1148 N ATOM 503 CA PRO A 84 70.312 12.284 73.223 1.00 56.61 C ANISOU 503 CA PRO A 84 6978 6090 8438 -403 259 1378 C ATOM 504 C PRO A 84 70.786 10.996 72.566 1.00 60.86 C ANISOU 504 C PRO A 84 7742 6276 9105 -286 384 1412 C ATOM 505 O PRO A 84 71.996 10.810 72.438 1.00 62.60 O ANISOU 505 O PRO A 84 7957 6441 9388 -69 489 1531 O ATOM 506 CB PRO A 84 69.702 11.979 74.591 1.00 56.83 C ANISOU 506 CB PRO A 84 6888 6242 8463 -548 206 1539 C ATOM 507 CG PRO A 84 68.667 13.018 74.777 1.00 55.27 C ANISOU 507 CG PRO A 84 6581 6270 8149 -707 112 1404 C ATOM 508 CD PRO A 84 68.099 13.259 73.415 1.00 54.44 C ANISOU 508 CD PRO A 84 6602 6048 8031 -737 92 1172 C ATOM 0 HA PRO A 84 71.107 12.839 73.244 1.00 56.61 H new ATOM 0 HB2 PRO A 84 69.317 11.089 74.615 1.00 56.83 H new ATOM 0 HB3 PRO A 84 70.371 12.018 75.292 1.00 56.83 H new ATOM 0 HG2 PRO A 84 67.981 12.721 75.395 1.00 55.27 H new ATOM 0 HG3 PRO A 84 69.049 13.830 75.146 1.00 55.27 H new ATOM 0 HD2 PRO A 84 67.344 12.678 73.235 1.00 54.44 H new ATOM 0 HD3 PRO A 84 67.785 14.171 73.315 1.00 54.44 H new ATOM 509 N GLU A 85 69.859 10.121 72.165 1.00 64.07 N ANISOU 509 N GLU A 85 8348 6445 9548 -431 384 1321 N ATOM 510 CA GLU A 85 70.215 8.866 71.466 1.00 67.46 C ANISOU 510 CA GLU A 85 9062 6482 10085 -343 526 1316 C ATOM 511 C GLU A 85 70.811 9.047 70.051 1.00 66.80 C ANISOU 511 C GLU A 85 9161 6241 9976 -204 624 1131 C ATOM 512 O GLU A 85 71.670 8.274 69.645 1.00 68.77 O ANISOU 512 O GLU A 85 9579 6229 10320 -9 800 1187 O ATOM 513 CB GLU A 85 69.018 7.907 71.381 1.00 71.28 C ANISOU 513 CB GLU A 85 9747 6749 10588 -588 488 1252 C ATOM 514 CG GLU A 85 68.660 7.197 72.686 1.00 74.60 C ANISOU 514 CG GLU A 85 10078 7184 11081 -679 462 1480 C ATOM 515 CD GLU A 85 67.545 7.879 73.458 1.00 74.90 C ANISOU 515 CD GLU A 85 9895 7537 11027 -906 297 1480 C ATOM 516 OE1 GLU A 85 66.347 7.595 73.177 1.00 75.56 O ANISOU 516 OE1 GLU A 85 10065 7567 11077 -1151 216 1378 O ATOM 517 OE2 GLU A 85 67.882 8.687 74.355 1.00 75.02 O ANISOU 517 OE2 GLU A 85 9653 7852 10996 -846 258 1592 O ATOM 0 H GLU A 85 69.015 10.230 72.286 1.00 64.07 H new ATOM 0 HA GLU A 85 70.918 8.489 72.018 1.00 67.46 H new ATOM 0 HB2 GLU A 85 68.243 8.406 71.078 1.00 71.28 H new ATOM 0 HB3 GLU A 85 69.206 7.237 70.706 1.00 71.28 H new ATOM 0 HG2 GLU A 85 68.396 6.285 72.488 1.00 74.60 H new ATOM 0 HG3 GLU A 85 69.450 7.148 73.247 1.00 74.60 H new ATOM 518 N GLU A 86 70.366 10.049 69.302 1.00 64.04 N ANISOU 518 N GLU A 86 8781 6047 9503 -294 528 925 N ATOM 519 CA GLU A 86 70.852 10.254 67.925 1.00 63.45 C ANISOU 519 CA GLU A 86 8885 5842 9380 -193 610 742 C ATOM 520 C GLU A 86 72.059 11.176 67.838 1.00 61.24 C ANISOU 520 C GLU A 86 8427 5754 9085 43 660 801 C ATOM 521 O GLU A 86 72.860 11.043 66.927 1.00 61.56 O ANISOU 521 O GLU A 86 8607 5649 9134 213 796 743 O ATOM 522 CB GLU A 86 69.759 10.842 67.049 1.00 62.24 C ANISOU 522 CB GLU A 86 8795 5758 9094 -421 474 508 C ATOM 523 CG GLU A 86 68.467 10.056 67.027 1.00 63.06 C ANISOU 523 CG GLU A 86 9052 5723 9185 -707 391 450 C ATOM 524 CD GLU A 86 67.392 10.789 66.262 1.00 62.25 C ANISOU 524 CD GLU A 86 8928 5772 8950 -933 231 277 C ATOM 525 OE1 GLU A 86 67.480 12.036 66.136 1.00 59.96 O ANISOU 525 OE1 GLU A 86 8433 5750 8599 -873 163 240 O ATOM 526 OE2 GLU A 86 66.458 10.119 65.790 1.00 63.48 O ANISOU 526 OE2 GLU A 86 9273 5781 9063 -1182 171 193 O ATOM 0 H GLU A 86 69.784 10.625 69.564 1.00 64.04 H new ATOM 0 HA GLU A 86 71.116 9.373 67.616 1.00 63.45 H new ATOM 0 HB2 GLU A 86 69.569 11.743 67.353 1.00 62.24 H new ATOM 0 HB3 GLU A 86 70.094 10.914 66.141 1.00 62.24 H new ATOM 0 HG2 GLU A 86 68.621 9.188 66.622 1.00 63.06 H new ATOM 0 HG3 GLU A 86 68.168 9.896 67.936 1.00 63.06 H new ATOM 527 N GLY A 87 72.169 12.128 68.758 1.00 58.95 N ANISOU 527 N GLY A 87 7846 5792 8760 35 554 911 N ATOM 528 CA GLY A 87 73.258 13.097 68.739 1.00 57.64 C ANISOU 528 CA GLY A 87 7501 5839 8558 205 571 974 C ATOM 529 C GLY A 87 73.181 14.090 67.581 1.00 55.93 C ANISOU 529 C GLY A 87 7323 5696 8232 192 533 755 C ATOM 530 O GLY A 87 74.209 14.572 67.100 1.00 56.96 O ANISOU 530 O GLY A 87 7408 5885 8347 361 601 775 O ATOM 0 H GLY A 87 71.616 12.230 69.409 1.00 58.95 H new ATOM 0 HA2 GLY A 87 73.257 13.588 69.575 1.00 57.64 H new ATOM 0 HA3 GLY A 87 74.102 12.621 68.690 1.00 57.64 H new ATOM 531 N VAL A 88 71.963 14.404 67.150 1.00 53.68 N ANISOU 531 N VAL A 88 7099 5425 7869 -12 420 572 N ATOM 532 CA VAL A 88 71.727 15.352 66.075 1.00 51.03 C ANISOU 532 CA VAL A 88 6789 5171 7426 -51 362 382 C ATOM 533 C VAL A 88 70.743 16.412 66.587 1.00 47.77 C ANISOU 533 C VAL A 88 6190 5015 6946 -212 205 348 C ATOM 534 O VAL A 88 69.731 16.094 67.216 1.00 46.97 O ANISOU 534 O VAL A 88 6055 4930 6861 -369 136 374 O ATOM 535 CB VAL A 88 71.188 14.625 64.816 1.00 53.31 C ANISOU 535 CB VAL A 88 7370 5202 7681 -145 395 199 C ATOM 536 CG1 VAL A 88 70.895 15.612 63.687 1.00 52.34 C ANISOU 536 CG1 VAL A 88 7263 5188 7435 -206 318 23 C ATOM 537 CG2 VAL A 88 72.174 13.550 64.357 1.00 55.48 C ANISOU 537 CG2 VAL A 88 7865 5186 8026 37 598 228 C ATOM 0 H VAL A 88 71.244 14.067 67.480 1.00 53.68 H new ATOM 0 HA VAL A 88 72.555 15.783 65.813 1.00 51.03 H new ATOM 0 HB VAL A 88 70.352 14.195 65.053 1.00 53.31 H new ATOM 0 HG11 VAL A 88 70.560 15.130 62.915 1.00 52.34 H new ATOM 0 HG12 VAL A 88 70.229 16.253 63.982 1.00 52.34 H new ATOM 0 HG13 VAL A 88 71.710 16.081 63.447 1.00 52.34 H new ATOM 0 HG21 VAL A 88 71.824 13.104 63.570 1.00 55.48 H new ATOM 0 HG22 VAL A 88 73.026 13.962 64.143 1.00 55.48 H new ATOM 0 HG23 VAL A 88 72.299 12.901 65.067 1.00 55.48 H new ATOM 538 N SER A 89 71.051 17.673 66.313 1.00 45.24 N ANISOU 538 N SER A 89 5751 4885 6551 -165 164 300 N ATOM 539 CA SER A 89 70.241 18.765 66.780 1.00 43.22 C ANISOU 539 CA SER A 89 5332 4849 6238 -273 57 275 C ATOM 540 C SER A 89 68.974 18.879 65.956 1.00 43.08 C ANISOU 540 C SER A 89 5374 4810 6183 -430 -29 139 C ATOM 541 O SER A 89 68.895 18.381 64.833 1.00 43.65 O ANISOU 541 O SER A 89 5623 4728 6233 -461 -22 35 O ATOM 542 CB SER A 89 71.024 20.081 66.744 1.00 42.17 C ANISOU 542 CB SER A 89 5081 4900 6041 -177 53 273 C ATOM 543 OG SER A 89 71.310 20.495 65.425 1.00 42.19 O ANISOU 543 OG SER A 89 5170 4862 5995 -125 59 151 O ATOM 0 H SER A 89 71.736 17.911 65.851 1.00 45.24 H new ATOM 0 HA SER A 89 69.995 18.585 67.701 1.00 43.22 H new ATOM 0 HB2 SER A 89 70.513 20.772 67.195 1.00 42.17 H new ATOM 0 HB3 SER A 89 71.854 19.975 67.235 1.00 42.17 H new ATOM 0 HG SER A 89 71.737 21.218 65.444 1.00 42.19 H new ATOM 544 N ALA A 90 67.975 19.536 66.535 1.00 41.87 N ANISOU 544 N ALA A 90 5072 4820 6014 -535 -105 155 N ATOM 545 CA ALA A 90 66.743 19.828 65.831 1.00 41.35 C ANISOU 545 CA ALA A 90 4996 4797 5918 -677 -199 77 C ATOM 546 C ALA A 90 67.007 20.689 64.589 1.00 41.07 C ANISOU 546 C ALA A 90 4995 4795 5812 -627 -225 -32 C ATOM 547 O ALA A 90 66.398 20.493 63.527 1.00 40.52 O ANISOU 547 O ALA A 90 5016 4677 5700 -739 -292 -110 O ATOM 548 CB ALA A 90 65.773 20.513 66.762 1.00 40.57 C ANISOU 548 CB ALA A 90 4699 4885 5828 -741 -234 144 C ATOM 0 H ALA A 90 67.996 19.823 67.346 1.00 41.87 H new ATOM 0 HA ALA A 90 66.353 18.992 65.530 1.00 41.35 H new ATOM 0 HB1 ALA A 90 64.950 20.707 66.287 1.00 40.57 H new ATOM 0 HB2 ALA A 90 65.582 19.932 67.515 1.00 40.57 H new ATOM 0 HB3 ALA A 90 66.163 21.341 67.083 1.00 40.57 H new ATOM 549 N ALA A 91 67.930 21.635 64.738 1.00 40.78 N ANISOU 549 N ALA A 91 4891 4850 5751 -482 -181 -26 N ATOM 550 CA ALA A 91 68.307 22.524 63.659 1.00 40.46 C ANISOU 550 CA ALA A 91 4873 4852 5645 -423 -198 -110 C ATOM 551 C ALA A 91 68.791 21.709 62.450 1.00 42.22 C ANISOU 551 C ALA A 91 5303 4901 5835 -417 -170 -197 C ATOM 552 O ALA A 91 68.318 21.918 61.330 1.00 43.15 O ANISOU 552 O ALA A 91 5490 5017 5887 -496 -232 -284 O ATOM 553 CB ALA A 91 69.384 23.485 64.135 1.00 39.26 C ANISOU 553 CB ALA A 91 4638 4805 5473 -286 -145 -71 C ATOM 0 H ALA A 91 68.354 21.775 65.473 1.00 40.78 H new ATOM 0 HA ALA A 91 67.534 23.042 63.384 1.00 40.46 H new ATOM 0 HB1 ALA A 91 69.633 24.078 63.409 1.00 39.26 H new ATOM 0 HB2 ALA A 91 69.045 24.009 64.878 1.00 39.26 H new ATOM 0 HB3 ALA A 91 70.162 22.982 64.423 1.00 39.26 H new ATOM 554 N GLU A 92 69.682 20.747 62.698 1.00 42.12 N ANISOU 554 N GLU A 92 5397 4741 5864 -327 -66 -162 N ATOM 555 CA GLU A 92 70.187 19.884 61.654 1.00 43.42 C ANISOU 555 CA GLU A 92 5791 4704 6002 -298 9 -245 C ATOM 556 C GLU A 92 69.076 19.082 60.987 1.00 46.30 C ANISOU 556 C GLU A 92 6324 4939 6327 -507 -55 -337 C ATOM 557 O GLU A 92 69.119 18.853 59.776 1.00 47.11 O ANISOU 557 O GLU A 92 6618 4939 6340 -557 -45 -457 O ATOM 558 CB GLU A 92 71.234 18.927 62.209 1.00 44.04 C ANISOU 558 CB GLU A 92 5935 4635 6163 -146 155 -151 C ATOM 559 CG GLU A 92 71.915 18.073 61.153 1.00 45.92 C ANISOU 559 CG GLU A 92 6427 4639 6381 -62 292 -232 C ATOM 560 CD GLU A 92 73.189 17.410 61.634 1.00 47.35 C ANISOU 560 CD GLU A 92 6617 4715 6658 161 465 -97 C ATOM 561 OE1 GLU A 92 73.922 17.984 62.465 1.00 47.98 O ANISOU 561 OE1 GLU A 92 6479 4968 6780 278 467 52 O ATOM 562 OE2 GLU A 92 73.468 16.287 61.190 1.00 50.10 O ANISOU 562 OE2 GLU A 92 7196 4801 7037 217 606 -127 O ATOM 0 H GLU A 92 70.005 20.584 63.478 1.00 42.12 H new ATOM 0 HA GLU A 92 70.590 20.459 60.985 1.00 43.42 H new ATOM 0 HB2 GLU A 92 71.909 19.439 62.681 1.00 44.04 H new ATOM 0 HB3 GLU A 92 70.813 18.344 62.860 1.00 44.04 H new ATOM 0 HG2 GLU A 92 71.296 17.388 60.854 1.00 45.92 H new ATOM 0 HG3 GLU A 92 72.119 18.627 60.383 1.00 45.92 H new ATOM 563 N VAL A 93 68.093 18.639 61.769 1.00 47.69 N ANISOU 563 N VAL A 93 6438 5127 6554 -649 -124 -276 N ATOM 564 CA VAL A 93 66.960 17.898 61.212 1.00 50.08 C ANISOU 564 CA VAL A 93 6877 5337 6812 -894 -212 -337 C ATOM 565 C VAL A 93 66.149 18.793 60.282 1.00 49.69 C ANISOU 565 C VAL A 93 6760 5455 6664 -1025 -351 -394 C ATOM 566 O VAL A 93 65.785 18.379 59.185 1.00 51.20 O ANISOU 566 O VAL A 93 7139 5560 6752 -1187 -401 -492 O ATOM 567 CB VAL A 93 66.064 17.281 62.309 1.00 51.15 C ANISOU 567 CB VAL A 93 6925 5481 7026 -1025 -261 -231 C ATOM 568 CG1 VAL A 93 64.777 16.711 61.713 1.00 53.37 C ANISOU 568 CG1 VAL A 93 7301 5730 7247 -1320 -388 -269 C ATOM 569 CG2 VAL A 93 66.823 16.184 63.035 1.00 52.24 C ANISOU 569 CG2 VAL A 93 7181 5413 7254 -924 -127 -169 C ATOM 0 H VAL A 93 68.062 18.756 62.620 1.00 47.69 H new ATOM 0 HA VAL A 93 67.321 17.158 60.699 1.00 50.08 H new ATOM 0 HB VAL A 93 65.825 17.982 62.935 1.00 51.15 H new ATOM 0 HG11 VAL A 93 64.233 16.330 62.420 1.00 53.37 H new ATOM 0 HG12 VAL A 93 64.283 17.420 61.272 1.00 53.37 H new ATOM 0 HG13 VAL A 93 64.997 16.021 61.068 1.00 53.37 H new ATOM 0 HG21 VAL A 93 66.257 15.799 63.723 1.00 52.24 H new ATOM 0 HG22 VAL A 93 67.078 15.494 62.403 1.00 52.24 H new ATOM 0 HG23 VAL A 93 67.620 16.557 63.444 1.00 52.24 H new ATOM 570 N ILE A 94 65.885 20.016 60.718 1.00 48.36 N ANISOU 570 N ILE A 94 6335 5517 6520 -960 -405 -325 N ATOM 571 CA ILE A 94 65.171 20.983 59.883 1.00 48.92 C ANISOU 571 CA ILE A 94 6307 5758 6521 -1043 -524 -340 C ATOM 572 C ILE A 94 65.910 21.197 58.543 1.00 48.26 C ANISOU 572 C ILE A 94 6395 5615 6324 -1005 -504 -458 C ATOM 573 O ILE A 94 65.315 21.111 57.487 1.00 46.94 O ANISOU 573 O ILE A 94 6318 5461 6053 -1179 -602 -511 O ATOM 574 CB ILE A 94 64.973 22.313 60.652 1.00 47.98 C ANISOU 574 CB ILE A 94 5915 5851 6462 -921 -530 -247 C ATOM 575 CG1 ILE A 94 63.932 22.108 61.762 1.00 48.62 C ANISOU 575 CG1 ILE A 94 5832 6014 6624 -1006 -559 -132 C ATOM 576 CG2 ILE A 94 64.549 23.463 59.724 1.00 47.96 C ANISOU 576 CG2 ILE A 94 5817 6002 6402 -934 -616 -248 C ATOM 577 CD1 ILE A 94 63.977 23.161 62.851 1.00 47.27 C ANISOU 577 CD1 ILE A 94 5460 5986 6514 -860 -496 -57 C ATOM 0 H ILE A 94 66.109 20.310 61.494 1.00 48.36 H new ATOM 0 HA ILE A 94 64.292 20.630 59.674 1.00 48.92 H new ATOM 0 HB ILE A 94 65.825 22.565 61.041 1.00 47.98 H new ATOM 0 HG12 ILE A 94 63.047 22.103 61.366 1.00 48.62 H new ATOM 0 HG13 ILE A 94 64.068 21.235 62.163 1.00 48.62 H new ATOM 0 HG21 ILE A 94 64.436 24.274 60.244 1.00 47.96 H new ATOM 0 HG22 ILE A 94 65.232 23.604 59.050 1.00 47.96 H new ATOM 0 HG23 ILE A 94 63.710 23.238 59.292 1.00 47.96 H new ATOM 0 HD11 ILE A 94 63.296 22.970 63.515 1.00 47.27 H new ATOM 0 HD12 ILE A 94 64.850 23.153 63.273 1.00 47.27 H new ATOM 0 HD13 ILE A 94 63.813 24.035 62.463 1.00 47.27 H new ATOM 578 N MET A 95 67.219 21.425 58.631 1.00 48.38 N ANISOU 578 N MET A 95 6450 5576 6354 -790 -377 -484 N ATOM 579 CA MET A 95 68.063 21.764 57.492 1.00 48.95 C ANISOU 579 CA MET A 95 6650 5619 6330 -712 -330 -576 C ATOM 580 C MET A 95 68.440 20.615 56.537 1.00 51.06 C ANISOU 580 C MET A 95 7237 5656 6507 -774 -250 -700 C ATOM 581 O MET A 95 68.971 20.897 55.459 1.00 51.40 O ANISOU 581 O MET A 95 7399 5687 6441 -743 -216 -786 O ATOM 582 CB MET A 95 69.355 22.399 57.998 1.00 48.04 C ANISOU 582 CB MET A 95 6441 5546 6264 -468 -217 -530 C ATOM 583 CG MET A 95 69.171 23.692 58.790 1.00 47.86 C ANISOU 583 CG MET A 95 6163 5728 6292 -408 -270 -439 C ATOM 584 SD MET A 95 68.418 25.122 57.969 1.00 49.22 S ANISOU 584 SD MET A 95 6213 6087 6401 -468 -397 -443 S ATOM 585 CE MET A 95 69.191 25.022 56.358 1.00 49.82 C ANISOU 585 CE MET A 95 6491 6096 6341 -459 -371 -554 C ATOM 0 H MET A 95 67.650 21.385 59.374 1.00 48.38 H new ATOM 0 HA MET A 95 67.515 22.365 56.964 1.00 48.95 H new ATOM 0 HB2 MET A 95 69.818 21.756 58.557 1.00 48.04 H new ATOM 0 HB3 MET A 95 69.930 22.580 57.238 1.00 48.04 H new ATOM 0 HG2 MET A 95 68.633 23.484 59.570 1.00 47.86 H new ATOM 0 HG3 MET A 95 70.044 23.965 59.113 1.00 47.86 H new ATOM 0 HE1 MET A 95 69.036 25.848 55.873 1.00 49.82 H new ATOM 0 HE2 MET A 95 70.145 24.884 56.465 1.00 49.82 H new ATOM 0 HE3 MET A 95 68.811 24.280 55.862 1.00 49.82 H new ATOM 586 N THR A 96 68.203 19.353 56.921 1.00 52.72 N ANISOU 586 N THR A 96 7602 5673 6755 -856 -202 -712 N ATOM 587 CA THR A 96 68.674 18.185 56.148 1.00 55.45 C ANISOU 587 CA THR A 96 8297 5742 7029 -885 -73 -836 C ATOM 588 C THR A 96 67.605 17.212 55.651 1.00 59.10 C ANISOU 588 C THR A 96 8989 6067 7399 -1197 -159 -917 C ATOM 589 O THR A 96 67.908 16.426 54.768 1.00 62.51 O ANISOU 589 O THR A 96 9753 6276 7721 -1261 -60 -1053 O ATOM 590 CB THR A 96 69.762 17.373 56.908 1.00 54.93 C ANISOU 590 CB THR A 96 8302 5479 7089 -653 134 -782 C ATOM 591 OG1 THR A 96 69.259 16.943 58.170 1.00 55.44 O ANISOU 591 OG1 THR A 96 8238 5545 7281 -690 94 -664 O ATOM 592 CG2 THR A 96 71.005 18.201 57.144 1.00 52.95 C ANISOU 592 CG2 THR A 96 7879 5348 6890 -372 231 -706 C ATOM 0 H THR A 96 67.767 19.148 57.633 1.00 52.72 H new ATOM 0 HA THR A 96 69.041 18.609 55.357 1.00 55.45 H new ATOM 0 HB THR A 96 69.991 16.608 56.357 1.00 54.93 H new ATOM 0 HG1 THR A 96 69.527 17.465 58.771 1.00 55.44 H new ATOM 0 HG21 THR A 96 71.663 17.669 57.618 1.00 52.95 H new ATOM 0 HG22 THR A 96 71.372 18.484 56.292 1.00 52.95 H new ATOM 0 HG23 THR A 96 70.778 18.982 57.673 1.00 52.95 H new ATOM 593 N VAL A 97 66.376 17.274 56.160 1.00 60.85 N ANISOU 593 N VAL A 97 9050 6421 7649 -1401 -332 -834 N ATOM 594 CA VAL A 97 65.335 16.276 55.839 1.00 65.78 C ANISOU 594 CA VAL A 97 9871 6929 8192 -1733 -429 -877 C ATOM 595 C VAL A 97 64.255 16.860 54.926 1.00 68.17 C ANISOU 595 C VAL A 97 10107 7446 8347 -2011 -648 -879 C ATOM 596 O VAL A 97 63.859 17.999 55.115 1.00 70.06 O ANISOU 596 O VAL A 97 10029 7961 8627 -1956 -757 -769 O ATOM 597 CB VAL A 97 64.663 15.783 57.146 1.00 65.82 C ANISOU 597 CB VAL A 97 9723 6943 8342 -1790 -471 -742 C ATOM 598 CG1 VAL A 97 63.515 14.806 56.862 1.00 68.61 C ANISOU 598 CG1 VAL A 97 10250 7205 8612 -2167 -594 -760 C ATOM 599 CG2 VAL A 97 65.711 15.161 58.058 1.00 65.29 C ANISOU 599 CG2 VAL A 97 9713 6676 8418 -1532 -268 -709 C ATOM 0 H VAL A 97 66.116 17.891 56.700 1.00 60.85 H new ATOM 0 HA VAL A 97 65.768 15.541 55.378 1.00 65.78 H new ATOM 0 HB VAL A 97 64.271 16.547 57.597 1.00 65.82 H new ATOM 0 HG11 VAL A 97 63.119 14.519 57.700 1.00 68.61 H new ATOM 0 HG12 VAL A 97 62.841 15.247 56.321 1.00 68.61 H new ATOM 0 HG13 VAL A 97 63.858 14.034 56.386 1.00 68.61 H new ATOM 0 HG21 VAL A 97 65.288 14.853 58.875 1.00 65.29 H new ATOM 0 HG22 VAL A 97 66.127 14.410 57.607 1.00 65.29 H new ATOM 0 HG23 VAL A 97 66.386 15.823 58.274 1.00 65.29 H new ATOM 600 N LEU A 98 63.758 16.084 53.964 1.00 72.92 N ANISOU 600 N LEU A 98 11008 7924 8774 -2317 -711 -988 N ATOM 601 CA LEU A 98 62.620 16.526 53.132 1.00 75.50 C ANISOU 601 CA LEU A 98 11256 8482 8948 -2638 -952 -947 C ATOM 602 C LEU A 98 61.288 16.325 53.850 1.00 76.99 C ANISOU 602 C LEU A 98 11221 8824 9207 -2870 -1130 -779 C ATOM 603 O LEU A 98 60.636 17.299 54.235 1.00 77.22 O ANISOU 603 O LEU A 98 10870 9150 9319 -2828 -1250 -609 O ATOM 604 CB LEU A 98 62.586 15.789 51.791 1.00 78.71 C ANISOU 604 CB LEU A 98 12085 8719 9100 -2929 -966 -1125 C ATOM 605 CG LEU A 98 63.757 16.007 50.827 1.00 78.75 C ANISOU 605 CG LEU A 98 12331 8604 8985 -2754 -800 -1294 C ATOM 606 CD1 LEU A 98 63.590 15.131 49.585 1.00 82.63 C ANISOU 606 CD1 LEU A 98 13292 8902 9201 -3092 -802 -1483 C ATOM 607 CD2 LEU A 98 63.891 17.471 50.442 1.00 76.11 C ANISOU 607 CD2 LEU A 98 11695 8578 8645 -2607 -887 -1212 C ATOM 0 H LEU A 98 64.058 15.301 53.772 1.00 72.92 H new ATOM 0 HA LEU A 98 62.749 17.473 52.969 1.00 75.50 H new ATOM 0 HB2 LEU A 98 62.524 14.839 51.975 1.00 78.71 H new ATOM 0 HB3 LEU A 98 61.770 16.043 51.332 1.00 78.71 H new ATOM 0 HG LEU A 98 64.574 15.749 51.281 1.00 78.75 H new ATOM 0 HD11 LEU A 98 64.336 15.277 48.983 1.00 82.63 H new ATOM 0 HD12 LEU A 98 63.566 14.198 49.848 1.00 82.63 H new ATOM 0 HD13 LEU A 98 62.762 15.361 49.135 1.00 82.63 H new ATOM 0 HD21 LEU A 98 64.638 17.579 49.833 1.00 76.11 H new ATOM 0 HD22 LEU A 98 63.076 17.768 50.008 1.00 76.11 H new ATOM 0 HD23 LEU A 98 64.045 18.003 51.239 1.00 76.11 H new ATOM 608 N GLY A 117 55.810 25.304 48.673 1.00 79.97 N ANISOU 608 N GLY A 117 9324 11767 9294 -3276 -2488 675 N ATOM 609 CA GLY A 117 56.418 25.451 50.000 1.00 78.48 C ANISOU 609 CA GLY A 117 9090 11394 9332 -2911 -2251 587 C ATOM 610 C GLY A 117 57.387 24.319 50.297 1.00 78.43 C ANISOU 610 C GLY A 117 9474 11059 9264 -2917 -2107 289 C ATOM 611 O GLY A 117 57.273 23.625 51.316 1.00 77.42 O ANISOU 611 O GLY A 117 9354 10815 9247 -2896 -2029 262 O ATOM 0 HA2 GLY A 117 56.885 26.300 50.051 1.00 78.48 H new ATOM 0 HA3 GLY A 117 55.722 25.469 50.676 1.00 78.48 H new ATOM 612 N VAL A 118 58.370 24.176 49.411 1.00 78.73 N ANISOU 612 N VAL A 118 9827 10952 9135 -2924 -2056 81 N ATOM 613 CA VAL A 118 59.245 22.992 49.340 1.00 77.83 C ANISOU 613 CA VAL A 118 10132 10525 8914 -2982 -1926 -191 C ATOM 614 C VAL A 118 60.268 22.799 50.501 1.00 73.85 C ANISOU 614 C VAL A 118 9684 9783 8591 -2639 -1679 -315 C ATOM 615 O VAL A 118 60.914 21.755 50.592 1.00 74.40 O ANISOU 615 O VAL A 118 10065 9590 8613 -2661 -1557 -497 O ATOM 616 CB VAL A 118 59.957 22.960 47.957 1.00 79.60 C ANISOU 616 CB VAL A 118 10667 10685 8890 -3084 -1927 -358 C ATOM 617 CG1 VAL A 118 61.273 23.750 47.977 1.00 76.86 C ANISOU 617 CG1 VAL A 118 10342 10252 8609 -2706 -1734 -458 C ATOM 618 CG2 VAL A 118 60.157 21.525 47.480 1.00 82.34 C ANISOU 618 CG2 VAL A 118 11463 10781 9039 -3361 -1893 -575 C ATOM 0 H VAL A 118 58.555 24.773 48.820 1.00 78.73 H new ATOM 0 HA VAL A 118 58.648 22.235 49.450 1.00 77.83 H new ATOM 0 HB VAL A 118 59.379 23.402 47.315 1.00 79.60 H new ATOM 0 HG11 VAL A 118 61.689 23.709 47.102 1.00 76.86 H new ATOM 0 HG12 VAL A 118 61.092 24.675 48.205 1.00 76.86 H new ATOM 0 HG13 VAL A 118 61.871 23.366 48.637 1.00 76.86 H new ATOM 0 HG21 VAL A 118 60.602 21.529 46.618 1.00 82.34 H new ATOM 0 HG22 VAL A 118 60.702 21.043 48.122 1.00 82.34 H new ATOM 0 HG23 VAL A 118 59.295 21.088 47.396 1.00 82.34 H new ATOM 619 N GLY A 119 60.423 23.788 51.379 1.00 69.26 N ANISOU 619 N GLY A 119 8816 9290 8210 -2333 -1599 -207 N ATOM 620 CA GLY A 119 61.239 23.624 52.577 1.00 64.92 C ANISOU 620 CA GLY A 119 8278 8567 7819 -2059 -1401 -280 C ATOM 621 C GLY A 119 62.698 24.025 52.409 1.00 61.31 C ANISOU 621 C GLY A 119 7960 7981 7352 -1796 -1233 -420 C ATOM 622 O GLY A 119 63.300 23.877 51.341 1.00 61.97 O ANISOU 622 O GLY A 119 8271 7997 7278 -1849 -1219 -543 O ATOM 0 H GLY A 119 60.062 24.564 51.298 1.00 69.26 H new ATOM 0 HA2 GLY A 119 60.851 24.151 53.293 1.00 64.92 H new ATOM 0 HA3 GLY A 119 61.201 22.696 52.856 1.00 64.92 H new ATOM 623 N VAL A 120 63.265 24.503 53.506 1.00 55.64 N ANISOU 623 N VAL A 120 7108 7237 6796 -1527 -1102 -395 N ATOM 624 CA VAL A 120 64.615 25.040 53.536 1.00 52.57 C ANISOU 624 CA VAL A 120 6778 6774 6421 -1274 -955 -476 C ATOM 625 C VAL A 120 65.718 23.977 53.339 1.00 52.07 C ANISOU 625 C VAL A 120 7015 6471 6295 -1232 -811 -638 C ATOM 626 O VAL A 120 66.853 24.323 53.031 1.00 50.19 O ANISOU 626 O VAL A 120 6851 6188 6031 -1061 -700 -701 O ATOM 627 CB VAL A 120 64.845 25.882 54.833 1.00 50.03 C ANISOU 627 CB VAL A 120 6229 6509 6270 -1041 -869 -387 C ATOM 628 CG1 VAL A 120 64.930 25.007 56.079 1.00 49.10 C ANISOU 628 CG1 VAL A 120 6125 6276 6254 -1008 -783 -388 C ATOM 629 CG2 VAL A 120 66.088 26.749 54.712 1.00 49.60 C ANISOU 629 CG2 VAL A 120 6187 6447 6210 -826 -767 -429 C ATOM 0 H VAL A 120 62.868 24.525 54.269 1.00 55.64 H new ATOM 0 HA VAL A 120 64.691 25.626 52.767 1.00 52.57 H new ATOM 0 HB VAL A 120 64.072 26.459 54.931 1.00 50.03 H new ATOM 0 HG11 VAL A 120 65.073 25.566 56.858 1.00 49.10 H new ATOM 0 HG12 VAL A 120 64.103 24.512 56.184 1.00 49.10 H new ATOM 0 HG13 VAL A 120 65.669 24.385 55.988 1.00 49.10 H new ATOM 0 HG21 VAL A 120 66.207 27.260 55.528 1.00 49.60 H new ATOM 0 HG22 VAL A 120 66.864 26.185 54.568 1.00 49.60 H new ATOM 0 HG23 VAL A 120 65.987 27.357 53.963 1.00 49.60 H new ATOM 630 N SER A 121 65.384 22.699 53.500 1.00 45.37 N ANISOU 630 N SER A 121 6346 6050 4841 -1733 -49 -205 N ATOM 631 CA SER A 121 66.335 21.614 53.305 1.00 45.74 C ANISOU 631 CA SER A 121 6724 5827 4825 -1686 -12 -260 C ATOM 632 C SER A 121 66.697 21.475 51.824 1.00 47.88 C ANISOU 632 C SER A 121 7114 6059 5015 -1672 -44 -336 C ATOM 633 O SER A 121 67.815 21.045 51.472 1.00 47.55 O ANISOU 633 O SER A 121 7269 5854 4943 -1499 7 -394 O ATOM 634 CB SER A 121 65.760 20.306 53.855 1.00 47.40 C ANISOU 634 CB SER A 121 7171 5886 4952 -1928 -9 -258 C ATOM 635 OG SER A 121 64.538 19.982 53.225 1.00 48.89 O ANISOU 635 OG SER A 121 7330 6188 5057 -2244 -82 -270 O ATOM 0 H SER A 121 64.596 22.438 53.726 1.00 45.37 H new ATOM 0 HA SER A 121 67.148 21.819 53.792 1.00 45.74 H new ATOM 0 HB2 SER A 121 66.397 19.587 53.720 1.00 47.40 H new ATOM 0 HB3 SER A 121 65.622 20.387 54.812 1.00 47.40 H new ATOM 0 HG SER A 121 64.147 19.381 53.663 1.00 48.89 H new ATOM 636 N VAL A 122 65.747 21.851 50.958 1.00 49.91 N ANISOU 636 N VAL A 122 7242 6493 5227 -1840 -130 -336 N ATOM 637 CA VAL A 122 65.981 21.939 49.501 1.00 48.68 C ANISOU 637 CA VAL A 122 7165 6353 4975 -1840 -173 -396 C ATOM 638 C VAL A 122 66.989 23.049 49.195 1.00 45.46 C ANISOU 638 C VAL A 122 6630 6010 4630 -1575 -130 -373 C ATOM 639 O VAL A 122 67.872 22.875 48.356 1.00 45.82 O ANISOU 639 O VAL A 122 6821 5987 4601 -1476 -86 -434 O ATOM 640 CB VAL A 122 64.645 22.116 48.728 1.00 50.17 C ANISOU 640 CB VAL A 122 7226 6745 5091 -2095 -304 -382 C ATOM 641 CG1 VAL A 122 64.864 22.449 47.253 1.00 50.99 C ANISOU 641 CG1 VAL A 122 7382 6903 5086 -2080 -362 -422 C ATOM 642 CG2 VAL A 122 63.803 20.851 48.852 1.00 52.73 C ANISOU 642 CG2 VAL A 122 7730 6988 5315 -2415 -344 -420 C ATOM 0 H VAL A 122 64.948 22.063 51.195 1.00 49.91 H new ATOM 0 HA VAL A 122 66.366 21.104 49.192 1.00 48.68 H new ATOM 0 HB VAL A 122 64.178 22.867 49.128 1.00 50.17 H new ATOM 0 HG11 VAL A 122 64.005 22.550 46.813 1.00 50.99 H new ATOM 0 HG12 VAL A 122 65.364 23.277 47.179 1.00 50.99 H new ATOM 0 HG13 VAL A 122 65.362 21.732 46.830 1.00 50.99 H new ATOM 0 HG21 VAL A 122 62.971 20.967 48.368 1.00 52.73 H new ATOM 0 HG22 VAL A 122 64.291 20.100 48.480 1.00 52.73 H new ATOM 0 HG23 VAL A 122 63.611 20.680 49.787 1.00 52.73 H new ATOM 643 N VAL A 123 66.886 24.166 49.895 1.00 43.12 N ANISOU 643 N VAL A 123 6080 5845 4457 -1469 -136 -290 N ATOM 644 CA VAL A 123 67.806 25.298 49.670 1.00 42.66 C ANISOU 644 CA VAL A 123 5916 5838 4452 -1267 -108 -255 C ATOM 645 C VAL A 123 69.257 24.922 50.028 1.00 41.47 C ANISOU 645 C VAL A 123 5882 5553 4319 -1087 3 -291 C ATOM 646 O VAL A 123 70.224 25.277 49.340 1.00 40.14 O ANISOU 646 O VAL A 123 5727 5407 4115 -979 48 -307 O ATOM 647 CB VAL A 123 67.363 26.538 50.469 1.00 41.19 C ANISOU 647 CB VAL A 123 5484 5776 4388 -1192 -144 -170 C ATOM 648 CG1 VAL A 123 68.391 27.662 50.341 1.00 40.58 C ANISOU 648 CG1 VAL A 123 5351 5709 4357 -1024 -120 -130 C ATOM 649 CG2 VAL A 123 65.974 26.997 50.015 1.00 42.58 C ANISOU 649 CG2 VAL A 123 5506 6125 4546 -1310 -262 -133 C ATOM 0 H VAL A 123 66.296 24.300 50.506 1.00 43.12 H new ATOM 0 HA VAL A 123 67.774 25.513 48.725 1.00 42.66 H new ATOM 0 HB VAL A 123 67.307 26.298 51.407 1.00 41.19 H new ATOM 0 HG11 VAL A 123 68.094 28.432 50.850 1.00 40.58 H new ATOM 0 HG12 VAL A 123 69.246 27.359 50.683 1.00 40.58 H new ATOM 0 HG13 VAL A 123 68.486 27.909 49.408 1.00 40.58 H new ATOM 0 HG21 VAL A 123 65.708 27.778 50.526 1.00 42.58 H new ATOM 0 HG22 VAL A 123 66.000 27.222 49.072 1.00 42.58 H new ATOM 0 HG23 VAL A 123 65.334 26.283 50.160 1.00 42.58 H new ATOM 650 N ASN A 124 69.365 24.180 51.117 1.00 41.53 N ANISOU 650 N ASN A 124 5967 5443 4368 -1062 44 -299 N ATOM 651 CA ASN A 124 70.622 23.695 51.629 1.00 41.57 C ANISOU 651 CA ASN A 124 6074 5328 4392 -874 126 -325 C ATOM 652 C ASN A 124 71.254 22.743 50.619 1.00 42.93 C ANISOU 652 C ASN A 124 6475 5389 4446 -823 174 -424 C ATOM 653 O ASN A 124 72.434 22.878 50.287 1.00 42.27 O ANISOU 653 O ASN A 124 6376 5332 4351 -636 245 -454 O ATOM 654 CB ASN A 124 70.372 22.988 52.975 1.00 42.53 C ANISOU 654 CB ASN A 124 6275 5330 4553 -891 133 -299 C ATOM 655 CG ASN A 124 71.633 22.792 53.795 1.00 42.37 C ANISOU 655 CG ASN A 124 6289 5232 4577 -663 186 -290 C ATOM 656 OD1 ASN A 124 72.692 23.356 53.494 1.00 42.08 O ANISOU 656 OD1 ASN A 124 6147 5275 4563 -498 220 -297 O ATOM 657 ND2 ASN A 124 71.531 21.952 54.826 1.00 41.84 N ANISOU 657 ND2 ASN A 124 6369 5020 4506 -667 186 -268 N ATOM 0 H ASN A 124 68.687 23.940 51.589 1.00 41.53 H new ATOM 0 HA ASN A 124 71.235 24.433 51.771 1.00 41.57 H new ATOM 0 HB2 ASN A 124 69.735 23.506 53.492 1.00 42.53 H new ATOM 0 HB3 ASN A 124 69.965 22.123 52.808 1.00 42.53 H new ATOM 0 HD21 ASN A 124 72.219 21.783 55.313 1.00 41.84 H new ATOM 0 HD22 ASN A 124 70.777 21.579 55.004 1.00 41.84 H new ATOM 658 N ALA A 125 70.445 21.801 50.124 1.00 43.90 N ANISOU 658 N ALA A 125 6805 5404 4469 -1000 136 -481 N ATOM 659 CA ALA A 125 70.867 20.853 49.114 1.00 45.14 C ANISOU 659 CA ALA A 125 7233 5429 4486 -972 174 -599 C ATOM 660 C ALA A 125 71.423 21.491 47.836 1.00 45.10 C ANISOU 660 C ALA A 125 7159 5572 4405 -906 211 -638 C ATOM 661 O ALA A 125 72.329 20.938 47.223 1.00 46.73 O ANISOU 661 O ALA A 125 7520 5714 4519 -750 299 -736 O ATOM 662 CB ALA A 125 69.721 19.934 48.769 1.00 47.60 C ANISOU 662 CB ALA A 125 7768 5624 4693 -1248 98 -644 C ATOM 0 H ALA A 125 69.628 21.701 50.374 1.00 43.90 H new ATOM 0 HA ALA A 125 71.604 20.358 49.505 1.00 45.14 H new ATOM 0 HB1 ALA A 125 70.007 19.300 48.092 1.00 47.60 H new ATOM 0 HB2 ALA A 125 69.441 19.454 49.564 1.00 47.60 H new ATOM 0 HB3 ALA A 125 68.978 20.457 48.429 1.00 47.60 H new ATOM 663 N LEU A 126 70.897 22.650 47.447 1.00 43.83 N ANISOU 663 N LEU A 126 6775 5608 4268 -1011 147 -560 N ATOM 664 CA LEU A 126 71.334 23.347 46.229 1.00 42.90 C ANISOU 664 CA LEU A 126 6606 5637 4057 -992 169 -569 C ATOM 665 C LEU A 126 72.207 24.571 46.493 1.00 42.00 C ANISOU 665 C LEU A 126 6256 5669 4034 -856 216 -482 C ATOM 666 O LEU A 126 72.379 25.422 45.598 1.00 42.11 O ANISOU 666 O LEU A 126 6198 5821 3980 -894 210 -443 O ATOM 667 CB LEU A 126 70.105 23.731 45.425 1.00 43.15 C ANISOU 667 CB LEU A 126 6613 5768 4013 -1222 38 -536 C ATOM 668 CG LEU A 126 69.191 22.548 45.060 1.00 44.92 C ANISOU 668 CG LEU A 126 7069 5876 4121 -1425 -28 -623 C ATOM 669 CD1 LEU A 126 67.909 23.053 44.405 1.00 45.14 C ANISOU 669 CD1 LEU A 126 6993 6066 4093 -1654 -187 -568 C ATOM 670 CD2 LEU A 126 69.912 21.537 44.164 1.00 46.99 C ANISOU 670 CD2 LEU A 126 7641 6003 4210 -1369 59 -773 C ATOM 0 H LEU A 126 70.276 23.058 47.880 1.00 43.83 H new ATOM 0 HA LEU A 126 71.898 22.735 45.731 1.00 42.90 H new ATOM 0 HB2 LEU A 126 69.590 24.379 45.931 1.00 43.15 H new ATOM 0 HB3 LEU A 126 70.390 24.170 44.608 1.00 43.15 H new ATOM 0 HG LEU A 126 68.954 22.085 45.879 1.00 44.92 H new ATOM 0 HD11 LEU A 126 67.342 22.299 44.180 1.00 45.14 H new ATOM 0 HD12 LEU A 126 67.440 23.638 45.020 1.00 45.14 H new ATOM 0 HD13 LEU A 126 68.129 23.544 43.598 1.00 45.14 H new ATOM 0 HD21 LEU A 126 69.311 20.806 43.952 1.00 46.99 H new ATOM 0 HD22 LEU A 126 70.192 21.973 43.344 1.00 46.99 H new ATOM 0 HD23 LEU A 126 70.691 21.191 44.628 1.00 46.99 H new ATOM 671 N SER A 127 72.778 24.644 47.703 1.00 41.64 N ANISOU 671 N SER A 127 6112 5587 4121 -719 255 -447 N ATOM 672 CA SER A 127 73.734 25.681 48.100 1.00 41.16 C ANISOU 672 CA SER A 127 5847 5649 4141 -608 297 -376 C ATOM 673 C SER A 127 75.112 25.091 48.256 1.00 42.53 C ANISOU 673 C SER A 127 6034 5826 4299 -401 418 -438 C ATOM 674 O SER A 127 75.285 24.153 49.005 1.00 43.04 O ANISOU 674 O SER A 127 6198 5756 4398 -286 435 -481 O ATOM 675 CB SER A 127 73.325 26.280 49.423 1.00 40.28 C ANISOU 675 CB SER A 127 5600 5522 4180 -613 232 -291 C ATOM 676 OG SER A 127 72.176 27.061 49.233 1.00 41.86 O ANISOU 676 OG SER A 127 5734 5771 4399 -753 129 -229 O ATOM 0 H SER A 127 72.614 24.077 48.328 1.00 41.64 H new ATOM 0 HA SER A 127 73.743 26.363 47.411 1.00 41.16 H new ATOM 0 HB2 SER A 127 73.150 25.578 50.069 1.00 40.28 H new ATOM 0 HB3 SER A 127 74.044 26.823 49.782 1.00 40.28 H new ATOM 0 HG SER A 127 71.515 26.560 49.101 1.00 41.86 H new ATOM 677 N GLN A 128 76.108 25.638 47.561 1.00 44.96 N ANISOU 677 N GLN A 128 6235 6301 4546 -348 501 -437 N ATOM 678 CA GLN A 128 77.493 25.181 47.755 1.00 46.20 C ANISOU 678 CA GLN A 128 6326 6532 4694 -126 621 -491 C ATOM 679 C GLN A 128 77.903 25.335 49.220 1.00 43.68 C ANISOU 679 C GLN A 128 5873 6197 4526 -25 581 -429 C ATOM 680 O GLN A 128 78.708 24.567 49.715 1.00 43.32 O ANISOU 680 O GLN A 128 5831 6133 4494 188 631 -476 O ATOM 681 CB GLN A 128 78.482 25.904 46.835 1.00 48.08 C ANISOU 681 CB GLN A 128 6410 7019 4838 -132 724 -480 C ATOM 682 CG GLN A 128 78.622 27.396 47.100 1.00 49.62 C ANISOU 682 CG GLN A 128 6402 7350 5100 -288 668 -341 C ATOM 683 CD GLN A 128 79.840 28.012 46.432 1.00 51.68 C ANISOU 683 CD GLN A 128 6490 7875 5270 -306 785 -319 C ATOM 684 OE1 GLN A 128 80.932 27.461 46.523 1.00 55.35 O ANISOU 684 OE1 GLN A 128 6842 8477 5712 -124 901 -383 O ATOM 685 NE2 GLN A 128 79.654 29.163 45.760 1.00 49.93 N ANISOU 685 NE2 GLN A 128 6244 7738 4987 -526 753 -221 N ATOM 0 H GLN A 128 76.011 26.265 46.980 1.00 44.96 H new ATOM 0 HA GLN A 128 77.522 24.242 47.515 1.00 46.20 H new ATOM 0 HB2 GLN A 128 79.354 25.488 46.927 1.00 48.08 H new ATOM 0 HB3 GLN A 128 78.202 25.776 45.915 1.00 48.08 H new ATOM 0 HG2 GLN A 128 77.824 27.850 46.787 1.00 49.62 H new ATOM 0 HG3 GLN A 128 78.676 27.545 48.057 1.00 49.62 H new ATOM 0 HE21 GLN A 128 78.871 29.516 45.721 1.00 49.93 H new ATOM 0 HE22 GLN A 128 80.318 29.545 45.370 1.00 49.93 H new ATOM 686 N LYS A 129 77.346 26.350 49.881 1.00 41.49 N ANISOU 686 N LYS A 129 5489 5929 4347 -165 485 -326 N ATOM 687 CA LYS A 129 77.550 26.579 51.296 1.00 41.17 C ANISOU 687 CA LYS A 129 5352 5863 4427 -109 432 -269 C ATOM 688 C LYS A 129 76.322 27.215 51.926 1.00 38.41 C ANISOU 688 C LYS A 129 5014 5426 4153 -260 327 -205 C ATOM 689 O LYS A 129 75.661 28.033 51.302 1.00 38.07 O ANISOU 689 O LYS A 129 4954 5417 4094 -398 284 -168 O ATOM 690 CB LYS A 129 78.779 27.474 51.528 1.00 42.30 C ANISOU 690 CB LYS A 129 5265 6209 4596 -81 459 -217 C ATOM 691 CG LYS A 129 79.239 27.494 52.991 1.00 42.47 C ANISOU 691 CG LYS A 129 5197 6223 4714 9 404 -179 C ATOM 692 CD LYS A 129 80.365 28.501 53.184 1.00 43.35 C ANISOU 692 CD LYS A 129 5075 6554 4840 -31 406 -122 C ATOM 693 CE LYS A 129 81.709 27.909 52.839 1.00 45.03 C ANISOU 693 CE LYS A 129 5143 6966 5000 147 503 -168 C ATOM 694 NZ LYS A 129 82.719 28.987 52.816 1.00 45.67 N ANISOU 694 NZ LYS A 129 4975 7305 5072 26 510 -105 N ATOM 0 H LYS A 129 76.832 26.930 49.507 1.00 41.49 H new ATOM 0 HA LYS A 129 77.703 25.719 51.717 1.00 41.17 H new ATOM 0 HB2 LYS A 129 79.509 27.164 50.969 1.00 42.30 H new ATOM 0 HB3 LYS A 129 78.571 28.379 51.247 1.00 42.30 H new ATOM 0 HG2 LYS A 129 78.492 27.721 53.567 1.00 42.47 H new ATOM 0 HG3 LYS A 129 79.540 26.610 53.253 1.00 42.47 H new ATOM 0 HD2 LYS A 129 80.202 29.279 52.629 1.00 43.35 H new ATOM 0 HD3 LYS A 129 80.372 28.806 54.105 1.00 43.35 H new ATOM 0 HE2 LYS A 129 81.955 27.234 53.491 1.00 45.03 H new ATOM 0 HE3 LYS A 129 81.669 27.469 51.976 1.00 45.03 H new ATOM 0 HZ1 LYS A 129 83.515 28.644 52.613 1.00 45.67 H new ATOM 0 HZ2 LYS A 129 82.493 29.593 52.205 1.00 45.67 H new ATOM 0 HZ3 LYS A 129 82.759 29.374 53.616 1.00 45.67 H new ATOM 695 N LEU A 130 76.028 26.825 53.158 1.00 37.21 N ANISOU 695 N LEU A 130 4894 5174 4070 -216 287 -191 N ATOM 696 CA LEU A 130 74.958 27.438 53.917 1.00 37.14 C ANISOU 696 CA LEU A 130 4864 5122 4126 -325 211 -141 C ATOM 697 C LEU A 130 75.378 27.563 55.382 1.00 36.49 C ANISOU 697 C LEU A 130 4728 5026 4108 -252 187 -107 C ATOM 698 O LEU A 130 75.936 26.641 55.955 1.00 37.10 O ANISOU 698 O LEU A 130 4869 5048 4177 -132 205 -123 O ATOM 699 CB LEU A 130 73.655 26.638 53.779 1.00 37.39 C ANISOU 699 CB LEU A 130 5032 5045 4127 -423 189 -169 C ATOM 700 CG LEU A 130 72.421 27.283 54.434 1.00 37.17 C ANISOU 700 CG LEU A 130 4936 5032 4152 -529 128 -124 C ATOM 701 CD1 LEU A 130 71.134 26.785 53.785 1.00 38.45 C ANISOU 701 CD1 LEU A 130 5160 5183 4264 -675 97 -145 C ATOM 702 CD2 LEU A 130 72.346 27.048 55.940 1.00 36.09 C ANISOU 702 CD2 LEU A 130 4805 4845 4059 -494 129 -103 C ATOM 0 H LEU A 130 76.444 26.198 53.575 1.00 37.21 H new ATOM 0 HA LEU A 130 74.788 28.325 53.563 1.00 37.14 H new ATOM 0 HB2 LEU A 130 73.471 26.506 52.836 1.00 37.39 H new ATOM 0 HB3 LEU A 130 73.788 25.759 54.168 1.00 37.39 H new ATOM 0 HG LEU A 130 72.518 28.237 54.290 1.00 37.17 H new ATOM 0 HD11 LEU A 130 70.372 27.205 54.214 1.00 38.45 H new ATOM 0 HD12 LEU A 130 71.139 27.011 52.842 1.00 38.45 H new ATOM 0 HD13 LEU A 130 71.072 25.822 53.886 1.00 38.45 H new ATOM 0 HD21 LEU A 130 71.551 27.476 56.295 1.00 36.09 H new ATOM 0 HD22 LEU A 130 72.307 26.095 56.117 1.00 36.09 H new ATOM 0 HD23 LEU A 130 73.133 27.423 56.366 1.00 36.09 H new ATOM 703 N GLU A 131 75.087 28.715 55.972 1.00 36.41 N ANISOU 703 N GLU A 131 4626 5055 4150 -315 136 -61 N ATOM 704 CA GLU A 131 75.456 29.042 57.355 1.00 36.28 C ANISOU 704 CA GLU A 131 4568 5040 4174 -272 103 -34 C ATOM 705 C GLU A 131 74.181 29.372 58.080 1.00 35.58 C ANISOU 705 C GLU A 131 4509 4900 4109 -338 74 -27 C ATOM 706 O GLU A 131 73.420 30.238 57.657 1.00 34.94 O ANISOU 706 O GLU A 131 4391 4838 4044 -401 49 -20 O ATOM 707 CB GLU A 131 76.393 30.253 57.373 1.00 37.43 C ANISOU 707 CB GLU A 131 4592 5291 4339 -298 72 -2 C ATOM 708 CG GLU A 131 76.681 30.842 58.746 1.00 38.15 C ANISOU 708 CG GLU A 131 4655 5385 4455 -295 15 17 C ATOM 709 CD GLU A 131 77.526 32.103 58.695 1.00 39.68 C ANISOU 709 CD GLU A 131 4760 5662 4652 -380 -29 46 C ATOM 710 OE1 GLU A 131 77.718 32.660 57.585 1.00 42.98 O ANISOU 710 OE1 GLU A 131 5148 6126 5055 -459 -14 64 O ATOM 711 OE2 GLU A 131 78.019 32.535 59.766 1.00 39.55 O ANISOU 711 OE2 GLU A 131 4722 5667 4637 -392 -86 55 O ATOM 0 H GLU A 131 74.660 29.347 55.575 1.00 36.41 H new ATOM 0 HA GLU A 131 75.916 28.299 57.777 1.00 36.28 H new ATOM 0 HB2 GLU A 131 77.235 29.996 56.966 1.00 37.43 H new ATOM 0 HB3 GLU A 131 76.009 30.947 56.815 1.00 37.43 H new ATOM 0 HG2 GLU A 131 75.841 31.041 59.188 1.00 38.15 H new ATOM 0 HG3 GLU A 131 77.136 30.177 59.287 1.00 38.15 H new ATOM 712 N LEU A 132 73.949 28.654 59.165 1.00 36.80 N ANISOU 712 N LEU A 132 4730 4999 4251 -312 81 -24 N ATOM 713 CA LEU A 132 72.827 28.867 60.026 1.00 36.50 C ANISOU 713 CA LEU A 132 4702 4951 4214 -371 80 -21 C ATOM 714 C LEU A 132 73.370 29.402 61.345 1.00 37.03 C ANISOU 714 C LEU A 132 4756 5032 4279 -323 53 -8 C ATOM 715 O LEU A 132 74.244 28.769 61.932 1.00 36.12 O ANISOU 715 O LEU A 132 4687 4897 4138 -258 39 10 O ATOM 716 CB LEU A 132 72.115 27.545 60.273 1.00 37.54 C ANISOU 716 CB LEU A 132 4952 5013 4298 -427 116 -21 C ATOM 717 CG LEU A 132 70.984 27.519 61.296 1.00 37.69 C ANISOU 717 CG LEU A 132 4971 5058 4288 -511 141 -11 C ATOM 718 CD1 LEU A 132 69.850 28.445 60.910 1.00 36.96 C ANISOU 718 CD1 LEU A 132 4740 5075 4226 -561 143 -32 C ATOM 719 CD2 LEU A 132 70.478 26.098 61.430 1.00 39.83 C ANISOU 719 CD2 LEU A 132 5395 5244 4493 -614 172 5 C ATOM 0 H LEU A 132 74.461 28.012 59.420 1.00 36.80 H new ATOM 0 HA LEU A 132 72.198 29.489 59.628 1.00 36.50 H new ATOM 0 HB2 LEU A 132 71.756 27.238 59.426 1.00 37.54 H new ATOM 0 HB3 LEU A 132 72.781 26.896 60.550 1.00 37.54 H new ATOM 0 HG LEU A 132 71.331 27.833 62.146 1.00 37.69 H new ATOM 0 HD11 LEU A 132 69.153 28.401 61.583 1.00 36.96 H new ATOM 0 HD12 LEU A 132 70.181 29.354 60.848 1.00 36.96 H new ATOM 0 HD13 LEU A 132 69.488 28.174 60.052 1.00 36.96 H new ATOM 0 HD21 LEU A 132 69.758 26.071 62.079 1.00 39.83 H new ATOM 0 HD22 LEU A 132 70.151 25.789 60.571 1.00 39.83 H new ATOM 0 HD23 LEU A 132 71.201 25.523 61.726 1.00 39.83 H new ATOM 720 N VAL A 133 72.830 30.538 61.798 1.00 34.87 N ANISOU 720 N VAL A 133 4437 4790 4021 -342 36 -22 N ATOM 721 CA VAL A 133 73.159 31.074 63.075 1.00 35.39 C ANISOU 721 CA VAL A 133 4524 4862 4061 -317 11 -28 C ATOM 722 C VAL A 133 71.888 31.385 63.831 1.00 35.77 C ANISOU 722 C VAL A 133 4578 4930 4080 -331 55 -59 C ATOM 723 O VAL A 133 70.996 32.068 63.326 1.00 36.73 O ANISOU 723 O VAL A 133 4642 5079 4234 -324 65 -86 O ATOM 724 CB VAL A 133 74.026 32.347 62.978 1.00 36.94 C ANISOU 724 CB VAL A 133 4686 5069 4280 -319 -55 -33 C ATOM 725 CG1 VAL A 133 74.402 32.836 64.391 1.00 38.09 C ANISOU 725 CG1 VAL A 133 4883 5214 4374 -314 -95 -51 C ATOM 726 CG2 VAL A 133 75.288 32.079 62.157 1.00 35.83 C ANISOU 726 CG2 VAL A 133 4485 4970 4156 -321 -78 -2 C ATOM 0 H VAL A 133 72.261 31.007 61.355 1.00 34.87 H new ATOM 0 HA VAL A 133 73.681 30.405 63.545 1.00 35.39 H new ATOM 0 HB VAL A 133 73.513 33.038 62.530 1.00 36.94 H new ATOM 0 HG11 VAL A 133 74.947 33.636 64.323 1.00 38.09 H new ATOM 0 HG12 VAL A 133 73.595 33.037 64.890 1.00 38.09 H new ATOM 0 HG13 VAL A 133 74.902 32.144 64.851 1.00 38.09 H new ATOM 0 HG21 VAL A 133 75.820 32.889 62.107 1.00 35.83 H new ATOM 0 HG22 VAL A 133 75.807 31.378 62.581 1.00 35.83 H new ATOM 0 HG23 VAL A 133 75.039 31.800 61.262 1.00 35.83 H new ATOM 727 N ILE A 134 71.840 30.890 65.059 1.00 34.76 N ANISOU 727 N ILE A 134 4518 4807 3881 -336 79 -54 N ATOM 728 CA ILE A 134 70.655 30.927 65.856 1.00 35.77 C ANISOU 728 CA ILE A 134 4644 4994 3953 -361 152 -81 C ATOM 729 C ILE A 134 71.029 31.531 67.180 1.00 35.91 C ANISOU 729 C ILE A 134 4730 5016 3896 -326 137 -110 C ATOM 730 O ILE A 134 71.933 31.040 67.842 1.00 35.11 O ANISOU 730 O ILE A 134 4712 4885 3742 -330 92 -71 O ATOM 731 CB ILE A 134 70.084 29.517 66.132 1.00 36.81 C ANISOU 731 CB ILE A 134 4832 5132 4021 -457 215 -36 C ATOM 732 CG1 ILE A 134 69.725 28.806 64.826 1.00 36.63 C ANISOU 732 CG1 ILE A 134 4780 5087 4049 -520 219 -18 C ATOM 733 CG2 ILE A 134 68.859 29.616 67.042 1.00 37.95 C ANISOU 733 CG2 ILE A 134 4941 5392 4084 -510 311 -61 C ATOM 734 CD1 ILE A 134 69.577 27.295 64.953 1.00 38.20 C ANISOU 734 CD1 ILE A 134 5116 5214 4182 -627 246 33 C ATOM 0 H ILE A 134 72.512 30.520 65.448 1.00 34.76 H new ATOM 0 HA ILE A 134 69.981 31.436 65.379 1.00 35.77 H new ATOM 0 HB ILE A 134 70.766 28.993 66.580 1.00 36.81 H new ATOM 0 HG12 ILE A 134 68.894 29.174 64.488 1.00 36.63 H new ATOM 0 HG13 ILE A 134 70.410 28.999 64.167 1.00 36.63 H new ATOM 0 HG21 ILE A 134 68.508 28.728 67.210 1.00 37.95 H new ATOM 0 HG22 ILE A 134 69.113 30.027 67.883 1.00 37.95 H new ATOM 0 HG23 ILE A 134 68.178 30.156 66.611 1.00 37.95 H new ATOM 0 HD11 ILE A 134 69.350 26.918 64.088 1.00 38.20 H new ATOM 0 HD12 ILE A 134 70.413 26.913 65.263 1.00 38.20 H new ATOM 0 HD13 ILE A 134 68.873 27.091 65.589 1.00 38.20 H new ATOM 735 N GLN A 135 70.312 32.584 67.552 1.00 36.59 N ANISOU 735 N GLN A 135 4790 5142 3968 -275 169 -182 N ATOM 736 CA GLN A 135 70.440 33.214 68.845 1.00 38.10 C ANISOU 736 CA GLN A 135 5073 5340 4061 -243 173 -236 C ATOM 737 C GLN A 135 69.236 32.812 69.674 1.00 39.10 C ANISOU 737 C GLN A 135 5180 5587 4089 -259 304 -262 C ATOM 738 O GLN A 135 68.092 33.079 69.313 1.00 40.01 O ANISOU 738 O GLN A 135 5175 5795 4231 -219 382 -302 O ATOM 739 CB GLN A 135 70.472 34.723 68.678 1.00 39.11 C ANISOU 739 CB GLN A 135 5226 5408 4225 -158 126 -316 C ATOM 740 CG GLN A 135 71.614 35.199 67.817 1.00 38.59 C ANISOU 740 CG GLN A 135 5174 5246 4241 -191 7 -281 C ATOM 741 CD GLN A 135 71.611 36.702 67.712 1.00 39.27 C ANISOU 741 CD GLN A 135 5347 5231 4342 -139 -47 -350 C ATOM 742 OE1 GLN A 135 72.063 37.394 68.602 1.00 38.11 O ANISOU 742 OE1 GLN A 135 5333 5029 4119 -150 -93 -406 O ATOM 743 NE2 GLN A 135 71.078 37.208 66.616 1.00 40.34 N ANISOU 743 NE2 GLN A 135 5436 5328 4561 -85 -55 -344 N ATOM 0 H GLN A 135 69.726 32.956 67.044 1.00 36.59 H new ATOM 0 HA GLN A 135 71.260 32.936 69.282 1.00 38.10 H new ATOM 0 HB2 GLN A 135 69.635 35.017 68.287 1.00 39.11 H new ATOM 0 HB3 GLN A 135 70.538 35.138 69.552 1.00 39.11 H new ATOM 0 HG2 GLN A 135 72.456 34.898 68.193 1.00 38.59 H new ATOM 0 HG3 GLN A 135 71.543 34.808 66.932 1.00 38.59 H new ATOM 0 HE21 GLN A 135 70.768 36.685 66.008 1.00 40.34 H new ATOM 0 HE22 GLN A 135 71.041 38.061 66.510 1.00 40.34 H new ATOM 744 N ARG A 136 69.490 32.174 70.799 1.00 40.66 N ANISOU 744 N ARG A 136 5484 5805 4159 -320 326 -232 N ATOM 745 CA ARG A 136 68.433 31.512 71.523 1.00 42.14 C ANISOU 745 CA ARG A 136 5658 6121 4230 -394 461 -224 C ATOM 746 C ARG A 136 68.876 31.190 72.949 1.00 42.40 C ANISOU 746 C ARG A 136 5861 6161 4087 -442 465 -202 C ATOM 747 O ARG A 136 69.979 30.684 73.153 1.00 39.87 O ANISOU 747 O ARG A 136 5657 5741 3749 -464 353 -129 O ATOM 748 CB ARG A 136 68.073 30.241 70.755 1.00 42.67 C ANISOU 748 CB ARG A 136 5681 6189 4340 -519 484 -131 C ATOM 749 CG ARG A 136 66.789 29.682 71.228 1.00 46.06 C ANISOU 749 CG ARG A 136 6047 6785 4668 -640 630 -122 C ATOM 750 CD ARG A 136 66.328 28.400 70.539 1.00 47.00 C ANISOU 750 CD ARG A 136 6158 6896 4803 -820 649 -33 C ATOM 751 NE ARG A 136 65.521 27.717 71.539 1.00 49.19 N ANISOU 751 NE ARG A 136 6473 7304 4911 -993 775 6 N ATOM 752 CZ ARG A 136 64.336 28.134 71.962 1.00 52.03 C ANISOU 752 CZ ARG A 136 6655 7912 5199 -1024 918 -51 C ATOM 753 NH1 ARG A 136 63.729 29.201 71.445 1.00 52.74 N ANISOU 753 NH1 ARG A 136 6519 8135 5384 -866 943 -153 N ATOM 754 NH2 ARG A 136 63.729 27.452 72.914 1.00 56.89 N ANISOU 754 NH2 ARG A 136 7322 8656 5637 -1213 1039 0 N ATOM 0 H ARG A 136 70.269 32.113 71.159 1.00 40.66 H new ATOM 0 HA ARG A 136 67.656 32.088 71.593 1.00 42.14 H new ATOM 0 HB2 ARG A 136 68.014 30.438 69.807 1.00 42.67 H new ATOM 0 HB3 ARG A 136 68.777 29.582 70.865 1.00 42.67 H new ATOM 0 HG2 ARG A 136 66.862 29.509 72.180 1.00 46.06 H new ATOM 0 HG3 ARG A 136 66.101 30.356 71.114 1.00 46.06 H new ATOM 0 HD2 ARG A 136 65.812 28.594 69.741 1.00 47.00 H new ATOM 0 HD3 ARG A 136 67.083 27.857 70.263 1.00 47.00 H new ATOM 0 HE ARG A 136 65.835 26.992 71.879 1.00 49.19 H new ATOM 0 HH11 ARG A 136 64.106 29.646 70.813 1.00 52.74 H new ATOM 0 HH12 ARG A 136 62.960 29.445 71.743 1.00 52.74 H new ATOM 0 HH21 ARG A 136 64.103 26.753 73.247 1.00 56.89 H new ATOM 0 HH22 ARG A 136 62.960 27.707 73.202 1.00 56.89 H new ATOM 755 N GLU A 137 68.020 31.482 73.926 1.00 44.82 N ANISOU 755 N GLU A 137 6173 6603 4252 -446 593 -267 N ATOM 756 CA GLU A 137 68.290 31.170 75.336 1.00 47.52 C ANISOU 756 CA GLU A 137 6691 6977 4385 -510 614 -246 C ATOM 757 C GLU A 137 69.672 31.687 75.782 1.00 46.11 C ANISOU 757 C GLU A 137 6662 6672 4183 -456 444 -256 C ATOM 758 O GLU A 137 70.445 30.980 76.430 1.00 46.59 O ANISOU 758 O GLU A 137 6865 6693 4144 -518 359 -163 O ATOM 759 CB GLU A 137 68.139 29.655 75.579 1.00 50.62 C ANISOU 759 CB GLU A 137 7164 7376 4691 -686 647 -100 C ATOM 760 CG GLU A 137 66.748 29.106 75.264 1.00 55.12 C ANISOU 760 CG GLU A 137 7590 8103 5249 -811 813 -85 C ATOM 761 CD GLU A 137 66.700 27.579 75.177 1.00 59.30 C ANISOU 761 CD GLU A 137 8239 8564 5728 -1016 809 68 C ATOM 762 OE1 GLU A 137 66.512 27.032 74.058 1.00 63.04 O ANISOU 762 OE1 GLU A 137 8640 8976 6335 -1070 781 107 O ATOM 763 OE2 GLU A 137 66.847 26.916 76.230 1.00 62.45 O ANISOU 763 OE2 GLU A 137 8835 8954 5937 -1128 827 151 O ATOM 0 H GLU A 137 67.263 31.868 73.793 1.00 44.82 H new ATOM 0 HA GLU A 137 67.635 31.633 75.882 1.00 47.52 H new ATOM 0 HB2 GLU A 137 68.792 29.184 75.038 1.00 50.62 H new ATOM 0 HB3 GLU A 137 68.349 29.464 76.507 1.00 50.62 H new ATOM 0 HG2 GLU A 137 66.128 29.403 75.948 1.00 55.12 H new ATOM 0 HG3 GLU A 137 66.443 29.481 74.423 1.00 55.12 H new ATOM 764 N GLY A 138 69.988 32.918 75.388 1.00 44.77 N ANISOU 764 N GLY A 138 6463 6443 4105 -347 381 -359 N ATOM 765 CA GLY A 138 71.277 33.541 75.698 1.00 44.46 C ANISOU 765 CA GLY A 138 6539 6304 4049 -337 211 -376 C ATOM 766 C GLY A 138 72.529 33.107 74.939 1.00 42.88 C ANISOU 766 C GLY A 138 6296 6023 3974 -363 48 -273 C ATOM 767 O GLY A 138 73.590 33.672 75.156 1.00 42.86 O ANISOU 767 O GLY A 138 6343 5983 3957 -377 -94 -286 O ATOM 0 H GLY A 138 69.459 33.419 74.931 1.00 44.77 H new ATOM 0 HA2 GLY A 138 71.176 34.497 75.567 1.00 44.46 H new ATOM 0 HA3 GLY A 138 71.447 33.400 76.642 1.00 44.46 H new ATOM 768 N LYS A 139 72.429 32.123 74.051 1.00 42.52 N ANISOU 768 N LYS A 139 6153 5963 4036 -374 68 -179 N ATOM 769 CA LYS A 139 73.605 31.574 73.339 1.00 42.08 C ANISOU 769 CA LYS A 139 6051 5854 4082 -363 -61 -89 C ATOM 770 C LYS A 139 73.493 31.737 71.819 1.00 39.29 C ANISOU 770 C LYS A 139 5551 5462 3913 -334 -46 -94 C ATOM 771 O LYS A 139 72.396 31.727 71.272 1.00 38.43 O ANISOU 771 O LYS A 139 5381 5367 3854 -335 63 -123 O ATOM 772 CB LYS A 139 73.766 30.092 73.662 1.00 44.19 C ANISOU 772 CB LYS A 139 6399 6106 4284 -380 -68 32 C ATOM 773 CG LYS A 139 73.948 29.759 75.139 1.00 47.46 C ANISOU 773 CG LYS A 139 6985 6554 4493 -416 -102 73 C ATOM 774 CD LYS A 139 74.022 28.248 75.337 1.00 50.23 C ANISOU 774 CD LYS A 139 7459 6844 4781 -429 -113 211 C ATOM 775 CE LYS A 139 74.815 27.854 76.576 1.00 54.80 C ANISOU 775 CE LYS A 139 8205 7434 5182 -417 -240 293 C ATOM 776 NZ LYS A 139 74.107 28.222 77.834 1.00 57.79 N ANISOU 776 NZ LYS A 139 8713 7893 5351 -517 -158 254 N ATOM 0 H LYS A 139 71.684 31.749 73.838 1.00 42.52 H new ATOM 0 HA LYS A 139 74.378 32.076 73.642 1.00 42.08 H new ATOM 0 HB2 LYS A 139 72.986 29.619 73.333 1.00 44.19 H new ATOM 0 HB3 LYS A 139 74.531 29.751 73.173 1.00 44.19 H new ATOM 0 HG2 LYS A 139 74.758 30.175 75.473 1.00 47.46 H new ATOM 0 HG3 LYS A 139 73.210 30.123 75.652 1.00 47.46 H new ATOM 0 HD2 LYS A 139 73.123 27.891 75.406 1.00 50.23 H new ATOM 0 HD3 LYS A 139 74.429 27.843 74.555 1.00 50.23 H new ATOM 0 HE2 LYS A 139 74.976 26.898 76.565 1.00 54.80 H new ATOM 0 HE3 LYS A 139 75.682 28.288 76.555 1.00 54.80 H new ATOM 0 HZ1 LYS A 139 74.599 27.977 78.534 1.00 57.79 H new ATOM 0 HZ2 LYS A 139 73.978 29.102 77.856 1.00 57.79 H new ATOM 0 HZ3 LYS A 139 73.320 27.807 77.865 1.00 57.79 H new ATOM 777 N ILE A 140 74.632 31.913 71.154 1.00 37.67 N ANISOU 777 N ILE A 140 5279 5239 3795 -316 -157 -67 N ATOM 778 CA ILE A 140 74.699 31.878 69.701 1.00 36.73 C ANISOU 778 CA ILE A 140 5039 5095 3821 -298 -145 -54 C ATOM 779 C ILE A 140 75.118 30.465 69.303 1.00 36.92 C ANISOU 779 C ILE A 140 5060 5104 3864 -259 -151 31 C ATOM 780 O ILE A 140 76.086 29.943 69.844 1.00 37.58 O ANISOU 780 O ILE A 140 5174 5206 3897 -215 -237 86 O ATOM 781 CB ILE A 140 75.709 32.883 69.099 1.00 36.14 C ANISOU 781 CB ILE A 140 4888 5028 3814 -321 -242 -72 C ATOM 782 CG1 ILE A 140 75.455 34.300 69.612 1.00 36.12 C ANISOU 782 CG1 ILE A 140 4963 4987 3770 -362 -265 -159 C ATOM 783 CG2 ILE A 140 75.579 32.880 67.580 1.00 35.44 C ANISOU 783 CG2 ILE A 140 4696 4921 3846 -314 -205 -60 C ATOM 784 CD1 ILE A 140 76.481 35.325 69.180 1.00 36.63 C ANISOU 784 CD1 ILE A 140 5003 5042 3869 -446 -375 -167 C ATOM 0 H ILE A 140 75.389 32.056 71.537 1.00 37.67 H new ATOM 0 HA ILE A 140 73.827 32.127 69.356 1.00 36.73 H new ATOM 0 HB ILE A 140 76.601 32.611 69.367 1.00 36.14 H new ATOM 0 HG12 ILE A 140 74.580 34.589 69.308 1.00 36.12 H new ATOM 0 HG13 ILE A 140 75.426 34.279 70.581 1.00 36.12 H new ATOM 0 HG21 ILE A 140 76.211 33.510 67.200 1.00 35.44 H new ATOM 0 HG22 ILE A 140 75.765 31.991 67.241 1.00 35.44 H new ATOM 0 HG23 ILE A 140 74.678 33.138 67.332 1.00 35.44 H new ATOM 0 HD11 ILE A 140 76.247 36.192 69.546 1.00 36.63 H new ATOM 0 HD12 ILE A 140 77.357 35.063 69.505 1.00 36.63 H new ATOM 0 HD13 ILE A 140 76.498 35.378 68.212 1.00 36.63 H new ATOM 785 N HIS A 141 74.388 29.882 68.349 1.00 36.35 N ANISOU 785 N HIS A 141 4961 4993 3857 -266 -70 38 N ATOM 786 CA HIS A 141 74.588 28.525 67.863 1.00 36.36 C ANISOU 786 CA HIS A 141 5013 4934 3868 -231 -62 99 C ATOM 787 C HIS A 141 74.849 28.657 66.384 1.00 35.51 C ANISOU 787 C HIS A 141 4797 4824 3868 -207 -55 78 C ATOM 788 O HIS A 141 74.185 29.443 65.728 1.00 34.93 O ANISOU 788 O HIS A 141 4649 4773 3849 -257 -18 34 O ATOM 789 CB HIS A 141 73.334 27.670 68.064 1.00 36.80 C ANISOU 789 CB HIS A 141 5170 4942 3867 -320 31 118 C ATOM 790 CG HIS A 141 72.950 27.482 69.497 1.00 38.68 C ANISOU 790 CG HIS A 141 5526 5199 3970 -373 52 146 C ATOM 791 ND1 HIS A 141 73.348 26.386 70.240 1.00 40.15 N ANISOU 791 ND1 HIS A 141 5889 5308 4055 -363 12 233 N ATOM 792 CD2 HIS A 141 72.182 28.239 70.323 1.00 39.04 C ANISOU 792 CD2 HIS A 141 5554 5332 3945 -429 114 97 C ATOM 793 CE1 HIS A 141 72.853 26.482 71.460 1.00 40.62 C ANISOU 793 CE1 HIS A 141 6035 5417 3980 -439 49 247 C ATOM 794 NE2 HIS A 141 72.133 27.590 71.534 1.00 39.71 N ANISOU 794 NE2 HIS A 141 5796 5412 3879 -477 121 156 N ATOM 0 H HIS A 141 73.739 30.286 67.955 1.00 36.35 H new ATOM 0 HA HIS A 141 75.315 28.097 68.342 1.00 36.36 H new ATOM 0 HB2 HIS A 141 72.594 28.082 67.592 1.00 36.80 H new ATOM 0 HB3 HIS A 141 73.479 26.800 67.661 1.00 36.80 H new ATOM 0 HD2 HIS A 141 71.768 29.044 70.110 1.00 39.04 H new ATOM 0 HE1 HIS A 141 72.987 25.874 72.151 1.00 40.62 H new ATOM 0 HE2 HIS A 141 71.703 27.861 72.228 1.00 39.71 H new ATOM 795 N ARG A 142 75.805 27.897 65.860 1.00 35.60 N ANISOU 795 N ARG A 142 4806 4817 3901 -112 -90 110 N ATOM 796 CA ARG A 142 76.146 27.966 64.450 1.00 35.41 C ANISOU 796 CA ARG A 142 4688 4814 3952 -86 -69 85 C ATOM 797 C ARG A 142 76.432 26.612 63.883 1.00 36.05 C ANISOU 797 C ARG A 142 4864 4811 4023 10 -48 100 C ATOM 798 O ARG A 142 76.949 25.735 64.577 1.00 34.99 O ANISOU 798 O ARG A 142 4834 4620 3838 116 -89 142 O ATOM 799 CB ARG A 142 77.367 28.853 64.226 1.00 36.19 C ANISOU 799 CB ARG A 142 4629 5036 4083 -57 -130 82 C ATOM 800 CG ARG A 142 77.722 29.174 62.773 1.00 35.72 C ANISOU 800 CG ARG A 142 4458 5033 4078 -68 -94 60 C ATOM 801 CD ARG A 142 78.635 30.401 62.812 1.00 36.88 C ANISOU 801 CD ARG A 142 4466 5309 4237 -135 -155 66 C ATOM 802 NE ARG A 142 79.198 30.847 61.544 1.00 36.19 N ANISOU 802 NE ARG A 142 4260 5313 4175 -178 -125 64 N ATOM 803 CZ ARG A 142 80.363 30.443 61.040 1.00 37.43 C ANISOU 803 CZ ARG A 142 4280 5615 4324 -103 -113 75 C ATOM 804 NH1 ARG A 142 81.117 29.528 61.648 1.00 39.33 N ANISOU 804 NH1 ARG A 142 4484 5913 4544 59 -142 88 N ATOM 805 NH2 ARG A 142 80.769 30.944 59.891 1.00 36.90 N ANISOU 805 NH2 ARG A 142 4112 5648 4258 -177 -68 74 N ATOM 0 H ARG A 142 76.270 27.331 66.311 1.00 35.60 H new ATOM 0 HA ARG A 142 75.376 28.344 63.997 1.00 35.41 H new ATOM 0 HB2 ARG A 142 77.224 29.690 64.695 1.00 36.19 H new ATOM 0 HB3 ARG A 142 78.133 28.424 64.638 1.00 36.19 H new ATOM 0 HG2 ARG A 142 78.170 28.423 62.353 1.00 35.72 H new ATOM 0 HG3 ARG A 142 76.923 29.354 62.254 1.00 35.72 H new ATOM 0 HD2 ARG A 142 78.134 31.138 63.195 1.00 36.88 H new ATOM 0 HD3 ARG A 142 79.369 30.212 63.418 1.00 36.88 H new ATOM 0 HE ARG A 142 78.743 31.415 61.086 1.00 36.19 H new ATOM 0 HH11 ARG A 142 80.856 29.179 62.389 1.00 39.33 H new ATOM 0 HH12 ARG A 142 81.865 29.286 61.299 1.00 39.33 H new ATOM 0 HH21 ARG A 142 80.284 31.522 59.479 1.00 36.90 H new ATOM 0 HH22 ARG A 142 81.519 30.693 59.553 1.00 36.90 H new ATOM 806 N GLN A 143 76.071 26.456 62.609 1.00 36.65 N ANISOU 806 N GLN A 143 4928 4863 4133 -18 6 62 N ATOM 807 CA GLN A 143 76.427 25.269 61.846 1.00 38.22 C ANISOU 807 CA GLN A 143 5233 4973 4315 85 33 47 C ATOM 808 C GLN A 143 76.568 25.643 60.380 1.00 37.29 C ANISOU 808 C GLN A 143 5016 4922 4229 70 79 -3 C ATOM 809 O GLN A 143 75.840 26.514 59.876 1.00 35.10 O ANISOU 809 O GLN A 143 4663 4693 3978 -65 92 -16 O ATOM 810 CB GLN A 143 75.392 24.131 62.040 1.00 39.35 C ANISOU 810 CB GLN A 143 5611 4936 4402 5 60 58 C ATOM 811 CG GLN A 143 75.855 22.784 61.462 1.00 41.35 C ANISOU 811 CG GLN A 143 6060 5032 4615 138 69 38 C ATOM 812 CD GLN A 143 74.935 21.618 61.793 1.00 42.16 C ANISOU 812 CD GLN A 143 6451 4921 4643 24 75 63 C ATOM 813 OE1 GLN A 143 73.715 21.768 61.835 1.00 41.69 O ANISOU 813 OE1 GLN A 143 6401 4869 4568 -205 105 67 O ATOM 814 NE2 GLN A 143 75.521 20.438 62.002 1.00 43.39 N ANISOU 814 NE2 GLN A 143 6849 4891 4745 184 45 82 N ATOM 0 H GLN A 143 75.614 27.036 62.167 1.00 36.65 H new ATOM 0 HA GLN A 143 77.275 24.930 62.172 1.00 38.22 H new ATOM 0 HB2 GLN A 143 75.211 24.025 62.987 1.00 39.35 H new ATOM 0 HB3 GLN A 143 74.557 24.387 61.619 1.00 39.35 H new ATOM 0 HG2 GLN A 143 75.926 22.864 60.498 1.00 41.35 H new ATOM 0 HG3 GLN A 143 76.744 22.588 61.797 1.00 41.35 H new ATOM 0 HE21 GLN A 143 76.378 20.371 61.965 1.00 43.39 H new ATOM 0 HE22 GLN A 143 75.042 19.745 62.174 1.00 43.39 H new ATOM 815 N ILE A 144 77.513 24.973 59.722 1.00 38.37 N ANISOU 815 N ILE A 144 5160 5067 4350 230 101 -30 N ATOM 816 CA ILE A 144 77.838 25.182 58.302 1.00 38.00 C ANISOU 816 CA ILE A 144 5034 5104 4301 237 161 -83 C ATOM 817 C ILE A 144 77.540 23.896 57.531 1.00 38.17 C ANISOU 817 C ILE A 144 5273 4964 4264 300 210 -143 C ATOM 818 O ILE A 144 77.871 22.806 57.966 1.00 41.09 O ANISOU 818 O ILE A 144 5808 5200 4601 455 200 -148 O ATOM 819 CB ILE A 144 79.343 25.541 58.103 1.00 39.22 C ANISOU 819 CB ILE A 144 4981 5458 4462 381 170 -83 C ATOM 820 CG1 ILE A 144 79.770 26.739 58.958 1.00 39.68 C ANISOU 820 CG1 ILE A 144 4856 5660 4560 296 100 -26 C ATOM 821 CG2 ILE A 144 79.650 25.855 56.646 1.00 40.22 C ANISOU 821 CG2 ILE A 144 5019 5702 4560 354 251 -131 C ATOM 822 CD1 ILE A 144 78.984 28.015 58.711 1.00 39.46 C ANISOU 822 CD1 ILE A 144 4789 5643 4558 75 89 -12 C ATOM 0 H ILE A 144 77.997 24.368 60.095 1.00 38.37 H new ATOM 0 HA ILE A 144 77.300 25.920 57.976 1.00 38.00 H new ATOM 0 HB ILE A 144 79.843 24.759 58.384 1.00 39.22 H new ATOM 0 HG12 ILE A 144 79.685 26.498 59.894 1.00 39.68 H new ATOM 0 HG13 ILE A 144 80.710 26.917 58.795 1.00 39.68 H new ATOM 0 HG21 ILE A 144 80.590 26.074 56.553 1.00 40.22 H new ATOM 0 HG22 ILE A 144 79.443 25.082 56.098 1.00 40.22 H new ATOM 0 HG23 ILE A 144 79.113 26.609 56.357 1.00 40.22 H new ATOM 0 HD11 ILE A 144 79.318 28.718 59.290 1.00 39.46 H new ATOM 0 HD12 ILE A 144 79.086 28.284 57.785 1.00 39.46 H new ATOM 0 HD13 ILE A 144 78.046 27.859 58.900 1.00 39.46 H new ATOM 823 N TYR A 145 76.924 24.031 56.378 1.00 38.52 N ANISOU 823 N TYR A 145 5344 5007 4281 180 252 -189 N ATOM 824 CA TYR A 145 76.711 22.922 55.468 1.00 41.04 C ANISOU 824 CA TYR A 145 5880 5187 4525 215 297 -267 C ATOM 825 C TYR A 145 77.365 23.232 54.128 1.00 41.28 C ANISOU 825 C TYR A 145 5815 5360 4510 268 370 -329 C ATOM 826 O TYR A 145 77.504 24.399 53.731 1.00 37.94 O ANISOU 826 O TYR A 145 5187 5117 4109 172 375 -296 O ATOM 827 CB TYR A 145 75.212 22.678 55.263 1.00 41.78 C ANISOU 827 CB TYR A 145 6121 5160 4590 -24 271 -270 C ATOM 828 CG TYR A 145 74.425 22.680 56.538 1.00 42.42 C ANISOU 828 CG TYR A 145 6229 5181 4707 -135 220 -199 C ATOM 829 CD1 TYR A 145 74.027 23.883 57.112 1.00 42.19 C ANISOU 829 CD1 TYR A 145 5992 5293 4742 -226 193 -144 C ATOM 830 CD2 TYR A 145 74.087 21.491 57.193 1.00 45.10 C ANISOU 830 CD2 TYR A 145 6823 5315 4998 -151 204 -188 C ATOM 831 CE1 TYR A 145 73.323 23.916 58.308 1.00 43.10 C ANISOU 831 CE1 TYR A 145 6122 5383 4870 -314 168 -91 C ATOM 832 CE2 TYR A 145 73.374 21.507 58.400 1.00 44.86 C ANISOU 832 CE2 TYR A 145 6811 5258 4974 -275 175 -114 C ATOM 833 CZ TYR A 145 72.993 22.727 58.948 1.00 45.04 C ANISOU 833 CZ TYR A 145 6593 5460 5058 -349 165 -73 C ATOM 834 OH TYR A 145 72.285 22.805 60.137 1.00 46.92 O ANISOU 834 OH TYR A 145 6834 5706 5285 -460 158 -15 O ATOM 0 H TYR A 145 76.611 24.780 56.094 1.00 38.52 H new ATOM 0 HA TYR A 145 77.108 22.123 55.849 1.00 41.04 H new ATOM 0 HB2 TYR A 145 74.858 23.361 54.672 1.00 41.78 H new ATOM 0 HB3 TYR A 145 75.089 21.826 54.817 1.00 41.78 H new ATOM 0 HD1 TYR A 145 74.237 24.682 56.685 1.00 42.19 H new ATOM 0 HD2 TYR A 145 74.339 20.677 56.822 1.00 45.10 H new ATOM 0 HE1 TYR A 145 73.073 24.731 58.680 1.00 43.10 H new ATOM 0 HE2 TYR A 145 73.158 20.711 58.829 1.00 44.86 H new ATOM 0 HH TYR A 145 72.614 22.270 60.695 1.00 46.92 H new ATOM 835 N GLU A 146 77.768 22.170 53.440 1.00 44.38 N ANISOU 835 N GLU A 146 6382 5657 4820 420 430 -419 N ATOM 836 CA GLU A 146 78.205 22.258 52.047 1.00 45.77 C ANISOU 836 CA GLU A 146 6528 5951 4911 453 521 -501 C ATOM 837 C GLU A 146 77.375 21.285 51.233 1.00 46.32 C ANISOU 837 C GLU A 146 6910 5812 4875 374 530 -593 C ATOM 838 O GLU A 146 77.385 20.091 51.498 1.00 47.94 O ANISOU 838 O GLU A 146 7381 5791 5042 497 527 -648 O ATOM 839 CB GLU A 146 79.701 21.962 51.924 1.00 48.51 C ANISOU 839 CB GLU A 146 6758 6439 5234 755 606 -549 C ATOM 840 CG GLU A 146 80.566 23.023 52.611 1.00 49.47 C ANISOU 840 CG GLU A 146 6539 6816 5441 774 586 -457 C ATOM 841 CD GLU A 146 82.063 22.934 52.299 1.00 52.88 C ANISOU 841 CD GLU A 146 6756 7498 5837 1027 680 -498 C ATOM 842 OE1 GLU A 146 82.462 22.512 51.190 1.00 56.81 O ANISOU 842 OE1 GLU A 146 7289 8065 6231 1139 799 -599 O ATOM 843 OE2 GLU A 146 82.860 23.323 53.170 1.00 54.59 O ANISOU 843 OE2 GLU A 146 6747 7874 6120 1110 635 -432 O ATOM 0 H GLU A 146 77.797 21.375 53.767 1.00 44.38 H new ATOM 0 HA GLU A 146 78.073 23.158 51.710 1.00 45.77 H new ATOM 0 HB2 GLU A 146 79.889 21.094 52.313 1.00 48.51 H new ATOM 0 HB3 GLU A 146 79.942 21.910 50.986 1.00 48.51 H new ATOM 0 HG2 GLU A 146 80.246 23.901 52.350 1.00 49.47 H new ATOM 0 HG3 GLU A 146 80.444 22.950 53.570 1.00 49.47 H new ATOM 844 N HIS A 147 76.644 21.804 50.253 1.00 46.35 N ANISOU 844 N HIS A 147 6904 5881 4823 157 526 -604 N ATOM 845 CA HIS A 147 75.692 21.019 49.481 1.00 49.00 C ANISOU 845 CA HIS A 147 7518 6048 5050 8 504 -683 C ATOM 846 C HIS A 147 74.768 20.194 50.395 1.00 49.76 C ANISOU 846 C HIS A 147 7825 5903 5176 -103 420 -658 C ATOM 847 O HIS A 147 74.484 19.045 50.116 1.00 52.56 O ANISOU 847 O HIS A 147 8499 6033 5436 -119 417 -741 O ATOM 848 CB HIS A 147 76.432 20.136 48.457 1.00 51.91 C ANISOU 848 CB HIS A 147 8085 6361 5274 193 608 -830 C ATOM 849 CG HIS A 147 77.213 20.917 47.442 1.00 53.07 C ANISOU 849 CG HIS A 147 8033 6776 5353 246 707 -854 C ATOM 850 ND1 HIS A 147 78.587 21.016 47.473 1.00 54.27 N ANISOU 850 ND1 HIS A 147 8010 7099 5510 513 820 -878 N ATOM 851 CD2 HIS A 147 76.808 21.656 46.381 1.00 51.69 C ANISOU 851 CD2 HIS A 147 7798 6749 5093 50 708 -845 C ATOM 852 CE1 HIS A 147 78.994 21.764 46.463 1.00 54.10 C ANISOU 852 CE1 HIS A 147 7834 7320 5400 453 902 -885 C ATOM 853 NE2 HIS A 147 77.933 22.174 45.794 1.00 52.54 N ANISOU 853 NE2 HIS A 147 7721 7096 5145 177 831 -860 N ATOM 0 H HIS A 147 76.688 22.630 50.016 1.00 46.35 H new ATOM 0 HA HIS A 147 75.120 21.629 48.989 1.00 49.00 H new ATOM 0 HB2 HIS A 147 77.035 19.542 48.930 1.00 51.91 H new ATOM 0 HB3 HIS A 147 75.786 19.577 47.997 1.00 51.91 H new ATOM 0 HD2 HIS A 147 75.930 21.787 46.103 1.00 51.69 H new ATOM 0 HE1 HIS A 147 79.878 21.967 46.258 1.00 54.10 H new ATOM 0 HE2 HIS A 147 77.945 22.684 45.102 1.00 52.54 H new ATOM 854 N GLY A 148 74.328 20.786 51.503 1.00 49.43 N ANISOU 854 N GLY A 148 7623 5908 5250 -191 358 -545 N ATOM 855 CA GLY A 148 73.441 20.109 52.450 1.00 49.26 C ANISOU 855 CA GLY A 148 7765 5706 5243 -329 295 -503 C ATOM 856 C GLY A 148 74.064 19.209 53.496 1.00 49.55 C ANISOU 856 C GLY A 148 7979 5553 5294 -142 297 -487 C ATOM 857 O GLY A 148 73.388 18.809 54.435 1.00 50.63 O ANISOU 857 O GLY A 148 8225 5569 5441 -273 249 -423 O ATOM 0 H GLY A 148 74.534 21.590 51.728 1.00 49.43 H new ATOM 0 HA2 GLY A 148 72.927 20.789 52.913 1.00 49.26 H new ATOM 0 HA3 GLY A 148 72.812 19.577 51.938 1.00 49.26 H new ATOM 858 N VAL A 149 75.336 18.863 53.335 1.00 50.77 N ANISOU 858 N VAL A 149 8164 5690 5436 167 352 -539 N ATOM 859 CA VAL A 149 76.025 17.962 54.254 1.00 50.86 C ANISOU 859 CA VAL A 149 8357 5517 5450 405 336 -522 C ATOM 860 C VAL A 149 76.594 18.868 55.322 1.00 48.35 C ANISOU 860 C VAL A 149 7732 5395 5241 494 310 -415 C ATOM 861 O VAL A 149 77.327 19.800 54.991 1.00 47.03 O ANISOU 861 O VAL A 149 7267 5481 5119 582 348 -417 O ATOM 862 CB VAL A 149 77.183 17.172 53.568 1.00 53.30 C ANISOU 862 CB VAL A 149 8812 5750 5689 757 406 -638 C ATOM 863 CG1 VAL A 149 77.829 16.180 54.539 1.00 54.55 C ANISOU 863 CG1 VAL A 149 9192 5687 5844 1037 362 -609 C ATOM 864 CG2 VAL A 149 76.693 16.456 52.311 1.00 54.50 C ANISOU 864 CG2 VAL A 149 9258 5739 5709 664 444 -772 C ATOM 0 H VAL A 149 75.827 19.145 52.687 1.00 50.77 H new ATOM 0 HA VAL A 149 75.414 17.291 54.597 1.00 50.86 H new ATOM 0 HB VAL A 149 77.859 17.816 53.304 1.00 53.30 H new ATOM 0 HG11 VAL A 149 78.544 15.704 54.088 1.00 54.55 H new ATOM 0 HG12 VAL A 149 78.191 16.661 55.300 1.00 54.55 H new ATOM 0 HG13 VAL A 149 77.162 15.546 54.846 1.00 54.55 H new ATOM 0 HG21 VAL A 149 77.430 15.974 51.905 1.00 54.50 H new ATOM 0 HG22 VAL A 149 75.990 15.831 52.548 1.00 54.50 H new ATOM 0 HG23 VAL A 149 76.347 17.108 51.681 1.00 54.50 H new ATOM 865 N PRO A 150 76.258 18.614 56.598 1.00 48.15 N ANISOU 865 N PRO A 150 7792 5260 5240 445 243 -321 N ATOM 866 CA PRO A 150 76.876 19.379 57.665 1.00 46.62 C ANISOU 866 CA PRO A 150 7351 5237 5124 542 206 -232 C ATOM 867 C PRO A 150 78.356 19.068 57.819 1.00 48.87 C ANISOU 867 C PRO A 150 7577 5574 5415 910 206 -246 C ATOM 868 O PRO A 150 78.768 17.907 57.714 1.00 50.76 O ANISOU 868 O PRO A 150 8083 5608 5595 1130 204 -287 O ATOM 869 CB PRO A 150 76.116 18.926 58.910 1.00 46.75 C ANISOU 869 CB PRO A 150 7551 5089 5119 401 144 -140 C ATOM 870 CG PRO A 150 75.616 17.580 58.579 1.00 49.25 C ANISOU 870 CG PRO A 150 8270 5099 5342 352 141 -177 C ATOM 871 CD PRO A 150 75.257 17.673 57.131 1.00 49.47 C ANISOU 871 CD PRO A 150 8287 5162 5345 253 198 -287 C ATOM 0 HA PRO A 150 76.830 20.333 57.497 1.00 46.62 H new ATOM 0 HB2 PRO A 150 76.696 18.905 59.687 1.00 46.75 H new ATOM 0 HB3 PRO A 150 75.387 19.531 59.117 1.00 46.75 H new ATOM 0 HG2 PRO A 150 76.292 16.902 58.734 1.00 49.25 H new ATOM 0 HG3 PRO A 150 74.847 17.344 59.121 1.00 49.25 H new ATOM 0 HD2 PRO A 150 75.308 16.809 56.693 1.00 49.47 H new ATOM 0 HD3 PRO A 150 74.353 18.002 57.006 1.00 49.47 H new ATOM 872 N GLN A 151 79.126 20.114 58.111 1.00 49.26 N ANISOU 872 N GLN A 151 7283 5901 5531 971 198 -208 N ATOM 873 CA GLN A 151 80.588 20.040 58.224 1.00 50.64 C ANISOU 873 CA GLN A 151 7286 6237 5717 1295 195 -215 C ATOM 874 C GLN A 151 81.083 19.730 59.629 1.00 50.64 C ANISOU 874 C GLN A 151 7312 6202 5725 1449 84 -119 C ATOM 875 O GLN A 151 82.105 19.083 59.793 1.00 51.19 O ANISOU 875 O GLN A 151 7385 6288 5776 1779 56 -124 O ATOM 876 CB GLN A 151 81.197 21.333 57.684 1.00 50.20 C ANISOU 876 CB GLN A 151 6843 6522 5706 1229 241 -223 C ATOM 877 CG GLN A 151 80.893 21.519 56.195 1.00 51.39 C ANISOU 877 CG GLN A 151 6993 6714 5818 1127 351 -313 C ATOM 878 CD GLN A 151 81.166 20.251 55.370 1.00 53.58 C ANISOU 878 CD GLN A 151 7510 6836 6010 1362 423 -425 C ATOM 879 OE1 GLN A 151 82.287 19.764 55.339 1.00 56.67 O ANISOU 879 OE1 GLN A 151 7832 7315 6382 1684 453 -463 O ATOM 880 NE2 GLN A 151 80.127 19.695 54.741 1.00 53.23 N ANISOU 880 NE2 GLN A 151 7756 6559 5907 1209 443 -482 N ATOM 0 H GLN A 151 78.811 20.902 58.252 1.00 49.26 H new ATOM 0 HA GLN A 151 80.883 19.287 57.688 1.00 50.64 H new ATOM 0 HB2 GLN A 151 80.849 22.089 58.183 1.00 50.20 H new ATOM 0 HB3 GLN A 151 82.157 21.321 57.820 1.00 50.20 H new ATOM 0 HG2 GLN A 151 79.964 21.776 56.088 1.00 51.39 H new ATOM 0 HG3 GLN A 151 81.430 22.248 55.848 1.00 51.39 H new ATOM 0 HE21 GLN A 151 79.351 20.064 54.783 1.00 53.23 H new ATOM 0 HE22 GLN A 151 80.234 18.968 54.294 1.00 53.23 H new ATOM 881 N ALA A 152 80.346 20.193 60.626 1.00 48.69 N ANISOU 881 N ALA A 152 7084 5922 5493 1224 20 -33 N ATOM 882 CA ALA A 152 80.582 19.830 62.011 1.00 50.11 C ANISOU 882 CA ALA A 152 7361 6031 5646 1314 -90 65 C ATOM 883 C ALA A 152 79.242 19.912 62.722 1.00 48.78 C ANISOU 883 C ALA A 152 7368 5715 5449 1007 -101 122 C ATOM 884 O ALA A 152 78.267 20.408 62.135 1.00 47.14 O ANISOU 884 O ALA A 152 7126 5520 5262 756 -32 81 O ATOM 885 CB ALA A 152 81.584 20.782 62.656 1.00 49.90 C ANISOU 885 CB ALA A 152 6993 6305 5659 1386 -159 112 C ATOM 0 H ALA A 152 79.686 20.734 60.515 1.00 48.69 H new ATOM 0 HA ALA A 152 80.955 18.937 62.072 1.00 50.11 H new ATOM 0 HB1 ALA A 152 81.728 20.523 63.580 1.00 49.90 H new ATOM 0 HB2 ALA A 152 82.425 20.742 62.174 1.00 49.90 H new ATOM 0 HB3 ALA A 152 81.237 21.687 62.625 1.00 49.90 H new ATOM 886 N PRO A 153 79.181 19.439 63.981 1.00 49.22 N ANISOU 886 N PRO A 153 7599 5657 5445 1028 -188 219 N ATOM 887 CA PRO A 153 77.922 19.580 64.700 1.00 48.45 C ANISOU 887 CA PRO A 153 7628 5476 5301 723 -175 272 C ATOM 888 C PRO A 153 77.605 21.027 65.053 1.00 47.09 C ANISOU 888 C PRO A 153 7163 5549 5177 539 -158 267 C ATOM 889 O PRO A 153 78.495 21.879 65.028 1.00 46.89 O ANISOU 889 O PRO A 153 6876 5732 5206 637 -191 251 O ATOM 890 CB PRO A 153 78.146 18.739 65.960 1.00 50.21 C ANISOU 890 CB PRO A 153 8111 5540 5425 818 -275 386 C ATOM 891 CG PRO A 153 79.151 17.720 65.538 1.00 52.46 C ANISOU 891 CG PRO A 153 8547 5684 5700 1167 -325 374 C ATOM 892 CD PRO A 153 80.078 18.470 64.635 1.00 51.61 C ANISOU 892 CD PRO A 153 8074 5841 5691 1334 -289 283 C ATOM 0 HA PRO A 153 77.163 19.292 64.169 1.00 48.45 H new ATOM 0 HB2 PRO A 153 78.475 19.280 66.695 1.00 50.21 H new ATOM 0 HB3 PRO A 153 77.323 18.323 66.261 1.00 50.21 H new ATOM 0 HG2 PRO A 153 79.622 17.350 66.301 1.00 52.46 H new ATOM 0 HG3 PRO A 153 78.731 16.978 65.077 1.00 52.46 H new ATOM 0 HD2 PRO A 153 80.785 18.912 65.131 1.00 51.61 H new ATOM 0 HD3 PRO A 153 80.506 17.884 63.991 1.00 51.61 H new ATOM 893 N LEU A 154 76.334 21.288 65.362 1.00 46.87 N ANISOU 893 N LEU A 154 7186 5497 5122 271 -106 276 N ATOM 894 CA LEU A 154 75.887 22.595 65.868 1.00 44.37 C ANISOU 894 CA LEU A 154 6656 5370 4830 121 -88 266 C ATOM 895 C LEU A 154 76.698 22.932 67.111 1.00 43.56 C ANISOU 895 C LEU A 154 6516 5353 4680 219 -181 325 C ATOM 896 O LEU A 154 76.856 22.101 68.000 1.00 43.95 O ANISOU 896 O LEU A 154 6771 5290 4635 274 -239 406 O ATOM 897 CB LEU A 154 74.392 22.581 66.207 1.00 44.71 C ANISOU 897 CB LEU A 154 6779 5384 4822 -136 -14 275 C ATOM 898 CG LEU A 154 73.710 23.920 66.500 1.00 43.90 C ANISOU 898 CG LEU A 154 6466 5465 4748 -261 28 236 C ATOM 899 CD1 LEU A 154 73.488 24.706 65.214 1.00 43.89 C ANISOU 899 CD1 LEU A 154 6276 5548 4852 -281 63 159 C ATOM 900 CD2 LEU A 154 72.384 23.723 67.215 1.00 44.55 C ANISOU 900 CD2 LEU A 154 6625 5556 4743 -469 102 261 C ATOM 0 H LEU A 154 75.701 20.711 65.285 1.00 46.87 H new ATOM 0 HA LEU A 154 76.024 23.265 65.180 1.00 44.37 H new ATOM 0 HB2 LEU A 154 73.923 22.164 65.467 1.00 44.71 H new ATOM 0 HB3 LEU A 154 74.268 22.009 66.980 1.00 44.71 H new ATOM 0 HG LEU A 154 74.301 24.423 67.082 1.00 43.90 H new ATOM 0 HD11 LEU A 154 73.056 25.549 65.421 1.00 43.89 H new ATOM 0 HD12 LEU A 154 74.342 24.877 64.787 1.00 43.89 H new ATOM 0 HD13 LEU A 154 72.924 24.193 64.614 1.00 43.89 H new ATOM 0 HD21 LEU A 154 71.977 24.587 67.386 1.00 44.55 H new ATOM 0 HD22 LEU A 154 71.792 23.192 66.659 1.00 44.55 H new ATOM 0 HD23 LEU A 154 72.535 23.264 68.056 1.00 44.55 H new ATOM 901 N ALA A 155 77.231 24.150 67.145 1.00 41.87 N ANISOU 901 N ALA A 155 6059 5329 4519 227 -209 290 N ATOM 902 CA ALA A 155 78.201 24.534 68.161 1.00 42.40 C ANISOU 902 CA ALA A 155 6059 5508 4542 316 -322 333 C ATOM 903 C ALA A 155 77.844 25.892 68.708 1.00 40.47 C ANISOU 903 C ALA A 155 5696 5388 4290 160 -318 293 C ATOM 904 O ALA A 155 77.347 26.734 67.969 1.00 39.55 O ANISOU 904 O ALA A 155 5464 5313 4247 62 -250 226 O ATOM 905 CB ALA A 155 79.591 24.573 67.548 1.00 43.15 C ANISOU 905 CB ALA A 155 5968 5726 4698 511 -386 323 C ATOM 0 H ALA A 155 77.041 24.772 66.583 1.00 41.87 H new ATOM 0 HA ALA A 155 78.190 23.886 68.882 1.00 42.40 H new ATOM 0 HB1 ALA A 155 80.237 24.829 68.225 1.00 43.15 H new ATOM 0 HB2 ALA A 155 79.817 23.696 67.202 1.00 43.15 H new ATOM 0 HB3 ALA A 155 79.608 25.220 66.825 1.00 43.15 H new ATOM 906 N VAL A 156 78.123 26.108 69.987 1.00 40.50 N ANISOU 906 N VAL A 156 5752 5441 4194 150 -399 332 N ATOM 907 CA VAL A 156 77.946 27.423 70.594 1.00 39.99 C ANISOU 907 CA VAL A 156 5612 5481 4102 25 -411 279 C ATOM 908 C VAL A 156 79.126 28.351 70.283 1.00 39.69 C ANISOU 908 C VAL A 156 5367 5592 4121 45 -507 251 C ATOM 909 O VAL A 156 80.271 27.995 70.525 1.00 41.51 O ANISOU 909 O VAL A 156 5526 5913 4330 158 -622 303 O ATOM 910 CB VAL A 156 77.734 27.296 72.102 1.00 41.05 C ANISOU 910 CB VAL A 156 5910 5613 4074 -19 -455 320 C ATOM 911 CG1 VAL A 156 77.684 28.674 72.756 1.00 41.29 C ANISOU 911 CG1 VAL A 156 5892 5739 4056 -126 -478 244 C ATOM 912 CG2 VAL A 156 76.438 26.521 72.361 1.00 41.35 C ANISOU 912 CG2 VAL A 156 6132 5535 4043 -105 -332 347 C ATOM 0 H VAL A 156 78.417 25.504 70.524 1.00 40.50 H new ATOM 0 HA VAL A 156 77.152 27.823 70.206 1.00 39.99 H new ATOM 0 HB VAL A 156 78.478 26.813 72.494 1.00 41.05 H new ATOM 0 HG11 VAL A 156 77.549 28.574 73.711 1.00 41.29 H new ATOM 0 HG12 VAL A 156 78.520 29.139 72.595 1.00 41.29 H new ATOM 0 HG13 VAL A 156 76.951 29.185 72.378 1.00 41.29 H new ATOM 0 HG21 VAL A 156 76.297 26.436 73.317 1.00 41.35 H new ATOM 0 HG22 VAL A 156 75.691 26.997 71.965 1.00 41.35 H new ATOM 0 HG23 VAL A 156 76.504 25.638 71.965 1.00 41.35 H new ATOM 913 N THR A 157 78.831 29.545 69.784 1.00 38.03 N ANISOU 913 N THR A 157 5065 5413 3971 -69 -467 176 N ATOM 914 CA THR A 157 79.864 30.472 69.311 1.00 39.74 C ANISOU 914 CA THR A 157 5101 5759 4239 -112 -543 156 C ATOM 915 C THR A 157 79.892 31.809 70.029 1.00 39.99 C ANISOU 915 C THR A 157 5162 5819 4214 -261 -606 101 C ATOM 916 O THR A 157 80.569 32.733 69.567 1.00 39.45 O ANISOU 916 O THR A 157 4980 5826 4182 -360 -660 81 O ATOM 917 CB THR A 157 79.712 30.781 67.798 1.00 39.07 C ANISOU 917 CB THR A 157 4906 5666 4273 -136 -458 125 C ATOM 918 OG1 THR A 157 78.370 31.204 67.526 1.00 37.43 O ANISOU 918 OG1 THR A 157 4793 5337 4088 -204 -359 75 O ATOM 919 CG2 THR A 157 80.067 29.558 66.976 1.00 39.07 C ANISOU 919 CG2 THR A 157 4859 5668 4317 16 -416 162 C ATOM 0 H THR A 157 78.028 29.845 69.708 1.00 38.03 H new ATOM 0 HA THR A 157 80.690 30.000 69.500 1.00 39.74 H new ATOM 0 HB THR A 157 80.320 31.496 67.554 1.00 39.07 H new ATOM 0 HG1 THR A 157 78.290 31.372 66.707 1.00 37.43 H new ATOM 0 HG21 THR A 157 79.969 29.762 66.033 1.00 39.07 H new ATOM 0 HG22 THR A 157 80.985 29.302 67.157 1.00 39.07 H new ATOM 0 HG23 THR A 157 79.475 28.827 67.212 1.00 39.07 H new ATOM 920 N GLY A 158 79.198 31.898 71.165 1.00 40.63 N ANISOU 920 N GLY A 158 5411 5839 4187 -290 -599 77 N ATOM 921 CA GLY A 158 79.139 33.125 71.946 1.00 41.08 C ANISOU 921 CA GLY A 158 5554 5893 4162 -412 -651 2 C ATOM 922 C GLY A 158 77.825 33.309 72.676 1.00 40.49 C ANISOU 922 C GLY A 158 5655 5724 4004 -414 -544 -62 C ATOM 923 O GLY A 158 76.983 32.413 72.713 1.00 40.25 O ANISOU 923 O GLY A 158 5669 5659 3965 -354 -437 -32 O ATOM 0 H GLY A 158 78.749 31.246 71.501 1.00 40.63 H new ATOM 0 HA2 GLY A 158 79.863 33.125 72.592 1.00 41.08 H new ATOM 0 HA3 GLY A 158 79.284 33.883 71.358 1.00 41.08 H new ATOM 924 N GLU A 159 77.667 34.483 73.263 1.00 40.67 N ANISOU 924 N GLU A 159 5783 5714 3954 -493 -571 -156 N ATOM 925 CA GLU A 159 76.491 34.796 74.034 1.00 42.05 C ANISOU 925 CA GLU A 159 6112 5834 4029 -472 -461 -241 C ATOM 926 C GLU A 159 75.814 35.980 73.437 1.00 40.72 C ANISOU 926 C GLU A 159 5972 5565 3931 -464 -402 -344 C ATOM 927 O GLU A 159 76.430 36.739 72.700 1.00 40.06 O ANISOU 927 O GLU A 159 5852 5436 3932 -526 -482 -351 O ATOM 928 CB GLU A 159 76.851 35.093 75.495 1.00 44.42 C ANISOU 928 CB GLU A 159 6576 6171 4128 -531 -545 -281 C ATOM 929 CG GLU A 159 77.514 33.926 76.187 1.00 45.52 C ANISOU 929 CG GLU A 159 6716 6405 4173 -519 -629 -163 C ATOM 930 CD GLU A 159 79.018 33.937 75.998 1.00 47.89 C ANISOU 930 CD GLU A 159 6891 6797 4507 -561 -824 -96 C ATOM 931 OE1 GLU A 159 79.675 34.881 76.495 1.00 49.69 O ANISOU 931 OE1 GLU A 159 7165 7058 4654 -679 -953 -154 O ATOM 932 OE2 GLU A 159 79.539 33.000 75.360 1.00 48.31 O ANISOU 932 OE2 GLU A 159 6800 6899 4656 -477 -850 7 O ATOM 0 H GLU A 159 78.243 35.120 73.223 1.00 40.67 H new ATOM 0 HA GLU A 159 75.898 34.029 74.018 1.00 42.05 H new ATOM 0 HB2 GLU A 159 77.443 35.861 75.528 1.00 44.42 H new ATOM 0 HB3 GLU A 159 76.046 35.335 75.979 1.00 44.42 H new ATOM 0 HG2 GLU A 159 77.307 33.952 77.134 1.00 45.52 H new ATOM 0 HG3 GLU A 159 77.151 33.096 75.840 1.00 45.52 H new ATOM 933 N THR A 160 74.543 36.133 73.777 1.00 40.39 N ANISOU 933 N THR A 160 5998 5502 3844 -386 -262 -420 N ATOM 934 CA THR A 160 73.700 37.147 73.162 1.00 40.89 C ANISOU 934 CA THR A 160 6079 5474 3981 -312 -195 -513 C ATOM 935 C THR A 160 72.537 37.471 74.093 1.00 43.02 C ANISOU 935 C THR A 160 6451 5767 4125 -212 -62 -628 C ATOM 936 O THR A 160 72.090 36.623 74.864 1.00 42.88 O ANISOU 936 O THR A 160 6428 5863 3999 -215 28 -605 O ATOM 937 CB THR A 160 73.169 36.662 71.776 1.00 38.10 C ANISOU 937 CB THR A 160 5548 5131 3797 -262 -129 -447 C ATOM 938 OG1 THR A 160 72.212 37.584 71.253 1.00 37.12 O ANISOU 938 OG1 THR A 160 5435 4937 3728 -156 -71 -527 O ATOM 939 CG2 THR A 160 72.495 35.306 71.889 1.00 37.67 C ANISOU 939 CG2 THR A 160 5402 5184 3727 -247 -18 -381 C ATOM 0 H THR A 160 74.145 35.653 74.369 1.00 40.39 H new ATOM 0 HA THR A 160 74.227 37.948 73.015 1.00 40.89 H new ATOM 0 HB THR A 160 73.936 36.599 71.186 1.00 38.10 H new ATOM 0 HG1 THR A 160 72.048 37.394 70.451 1.00 37.12 H new ATOM 0 HG21 THR A 160 72.175 35.030 71.016 1.00 37.67 H new ATOM 0 HG22 THR A 160 73.132 34.654 72.221 1.00 37.67 H new ATOM 0 HG23 THR A 160 71.746 35.367 72.503 1.00 37.67 H new ATOM 940 N GLU A 161 72.053 38.700 73.977 1.00 45.62 N ANISOU 940 N GLU A 161 6882 5987 4462 -119 -47 -749 N ATOM 941 CA GLU A 161 70.866 39.185 74.686 1.00 48.88 C ANISOU 941 CA GLU A 161 7371 6430 4770 36 96 -885 C ATOM 942 C GLU A 161 69.637 39.219 73.770 1.00 48.98 C ANISOU 942 C GLU A 161 7210 6492 4908 197 214 -894 C ATOM 943 O GLU A 161 68.561 39.654 74.198 1.00 52.27 O ANISOU 943 O GLU A 161 7630 6971 5259 369 344 -1008 O ATOM 944 CB GLU A 161 71.155 40.592 75.227 1.00 51.85 C ANISOU 944 CB GLU A 161 8018 6628 5053 74 20 -1033 C ATOM 945 CG GLU A 161 72.336 40.634 76.208 1.00 54.52 C ANISOU 945 CG GLU A 161 8529 6943 5240 -109 -114 -1037 C ATOM 946 CD GLU A 161 72.719 42.041 76.660 1.00 57.59 C ANISOU 946 CD GLU A 161 9224 7125 5530 -127 -218 -1185 C ATOM 947 OE1 GLU A 161 71.830 42.922 76.679 1.00 59.01 O ANISOU 947 OE1 GLU A 161 9538 7191 5691 66 -133 -1326 O ATOM 948 OE2 GLU A 161 73.908 42.266 77.023 1.00 58.31 O ANISOU 948 OE2 GLU A 161 9430 7171 5552 -334 -391 -1164 O ATOM 0 H GLU A 161 72.413 39.295 73.471 1.00 45.62 H new ATOM 0 HA GLU A 161 70.669 38.577 75.415 1.00 48.88 H new ATOM 0 HB2 GLU A 161 71.339 41.186 74.483 1.00 51.85 H new ATOM 0 HB3 GLU A 161 70.362 40.931 75.671 1.00 51.85 H new ATOM 0 HG2 GLU A 161 72.115 40.103 76.989 1.00 54.52 H new ATOM 0 HG3 GLU A 161 73.106 40.218 75.790 1.00 54.52 H new ATOM 949 N LYS A 162 69.814 38.769 72.519 1.00 46.66 N ANISOU 949 N LYS A 162 6756 6190 4780 149 165 -777 N ATOM 950 CA LYS A 162 68.828 38.850 71.450 1.00 45.50 C ANISOU 950 CA LYS A 162 6444 6081 4760 273 223 -766 C ATOM 951 C LYS A 162 68.429 37.441 71.045 1.00 42.97 C ANISOU 951 C LYS A 162 5910 5931 4483 183 297 -655 C ATOM 952 O LYS A 162 69.144 36.491 71.305 1.00 42.06 O ANISOU 952 O LYS A 162 5803 5839 4336 37 270 -570 O ATOM 953 CB LYS A 162 69.420 39.600 70.236 1.00 45.11 C ANISOU 953 CB LYS A 162 6440 5854 4845 262 83 -724 C ATOM 954 CG LYS A 162 69.432 41.127 70.371 1.00 47.23 C ANISOU 954 CG LYS A 162 6942 5914 5087 379 15 -835 C ATOM 0 H LYS A 162 70.546 38.394 72.268 1.00 46.66 H new ATOM 0 HA LYS A 162 68.049 39.336 71.761 1.00 45.50 H new ATOM 0 HB2 LYS A 162 70.329 39.293 70.093 1.00 45.11 H new ATOM 0 HB3 LYS A 162 68.912 39.361 69.445 1.00 45.11 H new ATOM 955 N THR A 163 67.271 37.312 70.420 1.00 42.79 N ANISOU 955 N THR A 163 5709 6026 4522 274 382 -657 N ATOM 956 CA THR A 163 66.832 36.038 69.860 1.00 41.98 C ANISOU 956 CA THR A 163 5424 6064 4462 157 435 -556 C ATOM 957 C THR A 163 66.683 36.158 68.346 1.00 39.43 C ANISOU 957 C THR A 163 4990 5702 4289 179 361 -502 C ATOM 958 O THR A 163 66.472 37.251 67.820 1.00 39.73 O ANISOU 958 O THR A 163 5049 5660 4384 327 306 -549 O ATOM 959 CB THR A 163 65.494 35.559 70.461 1.00 44.35 C ANISOU 959 CB THR A 163 5569 6607 4674 174 605 -591 C ATOM 960 OG1 THR A 163 64.436 36.460 70.082 1.00 46.49 O ANISOU 960 OG1 THR A 163 5706 6966 4988 384 648 -676 O ATOM 961 CG2 THR A 163 65.584 35.439 71.972 1.00 45.67 C ANISOU 961 CG2 THR A 163 5860 6830 4661 143 694 -641 C ATOM 0 H THR A 163 66.715 37.958 70.306 1.00 42.79 H new ATOM 0 HA THR A 163 67.511 35.382 70.084 1.00 41.98 H new ATOM 0 HB THR A 163 65.297 34.677 70.109 1.00 44.35 H new ATOM 0 HG1 THR A 163 64.151 36.253 69.319 1.00 46.49 H new ATOM 0 HG21 THR A 163 64.732 35.137 72.324 1.00 45.67 H new ATOM 0 HG22 THR A 163 66.275 34.799 72.205 1.00 45.67 H new ATOM 0 HG23 THR A 163 65.803 36.304 72.353 1.00 45.67 H new ATOM 962 N GLY A 164 66.808 35.032 67.649 1.00 37.03 N ANISOU 962 N GLY A 164 4603 5437 4030 33 351 -405 N ATOM 963 CA GLY A 164 66.471 34.989 66.231 1.00 36.65 C ANISOU 963 CA GLY A 164 4439 5395 4089 34 299 -358 C ATOM 964 C GLY A 164 67.230 33.985 65.429 1.00 35.30 C ANISOU 964 C GLY A 164 4287 5165 3960 -116 247 -268 C ATOM 965 O GLY A 164 68.026 33.236 65.967 1.00 35.38 O ANISOU 965 O GLY A 164 4388 5127 3924 -205 249 -232 O ATOM 0 H GLY A 164 67.085 34.287 67.977 1.00 37.03 H new ATOM 0 HA2 GLY A 164 65.523 34.802 66.144 1.00 36.65 H new ATOM 0 HA3 GLY A 164 66.623 35.868 65.850 1.00 36.65 H new ATOM 966 N THR A 165 66.989 34.003 64.123 1.00 35.61 N ANISOU 966 N THR A 165 4248 5206 4073 -122 195 -234 N ATOM 967 CA THR A 165 67.559 33.043 63.211 1.00 35.06 C ANISOU 967 CA THR A 165 4197 5093 4031 -246 161 -168 C ATOM 968 C THR A 165 68.048 33.766 61.980 1.00 36.32 C ANISOU 968 C THR A 165 4372 5172 4255 -209 68 -145 C ATOM 969 O THR A 165 67.382 34.670 61.477 1.00 37.25 O ANISOU 969 O THR A 165 4438 5309 4403 -115 29 -158 O ATOM 970 CB THR A 165 66.510 32.020 62.765 1.00 35.30 C ANISOU 970 CB THR A 165 4117 5251 4044 -357 209 -146 C ATOM 971 OG1 THR A 165 65.999 31.348 63.907 1.00 35.03 O ANISOU 971 OG1 THR A 165 4076 5303 3929 -430 304 -153 O ATOM 972 CG2 THR A 165 67.102 31.004 61.822 1.00 34.29 C ANISOU 972 CG2 THR A 165 4058 5044 3923 -474 175 -98 C ATOM 0 H THR A 165 66.482 34.585 63.744 1.00 35.61 H new ATOM 0 HA THR A 165 68.284 32.586 63.666 1.00 35.06 H new ATOM 0 HB THR A 165 65.801 32.493 62.301 1.00 35.30 H new ATOM 0 HG1 THR A 165 65.304 31.737 64.174 1.00 35.03 H new ATOM 0 HG21 THR A 165 66.417 30.371 61.557 1.00 34.29 H new ATOM 0 HG22 THR A 165 67.447 31.455 61.035 1.00 34.29 H new ATOM 0 HG23 THR A 165 67.824 30.532 62.266 1.00 34.29 H new ATOM 973 N MET A 166 69.211 33.324 61.503 1.00 36.98 N ANISOU 973 N MET A 166 4527 5177 4347 -277 37 -106 N ATOM 974 CA MET A 166 69.872 33.874 60.353 1.00 37.59 C ANISOU 974 CA MET A 166 4628 5196 4458 -285 -30 -74 C ATOM 975 C MET A 166 70.325 32.703 59.474 1.00 37.00 C ANISOU 975 C MET A 166 4555 5133 4371 -369 -13 -44 C ATOM 976 O MET A 166 70.987 31.796 59.962 1.00 37.67 O ANISOU 976 O MET A 166 4681 5198 4432 -390 20 -42 O ATOM 977 CB MET A 166 71.077 34.711 60.805 1.00 38.55 C ANISOU 977 CB MET A 166 4833 5235 4579 -279 -75 -72 C ATOM 978 CG MET A 166 71.721 35.550 59.698 1.00 39.57 C ANISOU 978 CG MET A 166 4998 5311 4724 -319 -143 -30 C ATOM 979 SD MET A 166 72.836 34.645 58.573 1.00 41.11 S ANISOU 979 SD MET A 166 5154 5562 4904 -413 -121 16 S ATOM 980 CE MET A 166 74.332 34.368 59.496 1.00 39.72 C ANISOU 980 CE MET A 166 4965 5414 4711 -438 -117 16 C ATOM 0 H MET A 166 69.642 32.672 61.862 1.00 36.98 H new ATOM 0 HA MET A 166 69.276 34.452 59.852 1.00 37.59 H new ATOM 0 HB2 MET A 166 70.795 35.302 61.520 1.00 38.55 H new ATOM 0 HB3 MET A 166 71.748 34.117 61.176 1.00 38.55 H new ATOM 0 HG2 MET A 166 71.016 35.957 59.171 1.00 39.57 H new ATOM 0 HG3 MET A 166 72.220 36.273 60.110 1.00 39.57 H new ATOM 0 HE1 MET A 166 74.862 33.684 59.057 1.00 39.72 H new ATOM 0 HE2 MET A 166 74.842 35.192 59.541 1.00 39.72 H new ATOM 0 HE3 MET A 166 74.109 34.076 60.394 1.00 39.72 H new ATOM 981 N VAL A 167 69.966 32.732 58.197 1.00 35.55 N ANISOU 981 N VAL A 167 4344 4971 4189 -401 -43 -25 N ATOM 982 CA VAL A 167 70.445 31.780 57.225 1.00 35.70 C ANISOU 982 CA VAL A 167 4396 4988 4178 -468 -26 -15 C ATOM 983 C VAL A 167 71.117 32.550 56.093 1.00 35.09 C ANISOU 983 C VAL A 167 4336 4904 4092 -480 -69 17 C ATOM 984 O VAL A 167 70.560 33.484 55.549 1.00 34.43 O ANISOU 984 O VAL A 167 4242 4824 4015 -469 -130 43 O ATOM 985 CB VAL A 167 69.294 30.931 56.647 1.00 37.25 C ANISOU 985 CB VAL A 167 4569 5239 4344 -546 -21 -27 C ATOM 986 CG1 VAL A 167 69.759 30.070 55.472 1.00 35.96 C ANISOU 986 CG1 VAL A 167 4484 5052 4128 -611 -12 -34 C ATOM 987 CG2 VAL A 167 68.654 30.099 57.771 1.00 38.51 C ANISOU 987 CG2 VAL A 167 4724 5416 4490 -586 32 -45 C ATOM 0 H VAL A 167 69.427 33.318 57.872 1.00 35.55 H new ATOM 0 HA VAL A 167 71.070 31.178 57.659 1.00 35.70 H new ATOM 0 HB VAL A 167 68.616 31.523 56.286 1.00 37.25 H new ATOM 0 HG11 VAL A 167 69.012 29.551 55.135 1.00 35.96 H new ATOM 0 HG12 VAL A 167 70.100 30.642 54.766 1.00 35.96 H new ATOM 0 HG13 VAL A 167 70.461 29.470 55.768 1.00 35.96 H new ATOM 0 HG21 VAL A 167 67.930 29.565 57.407 1.00 38.51 H new ATOM 0 HG22 VAL A 167 69.322 29.514 58.161 1.00 38.51 H new ATOM 0 HG23 VAL A 167 68.305 30.692 58.455 1.00 38.51 H new ATOM 988 N ARG A 168 72.331 32.146 55.769 1.00 34.61 N ANISOU 988 N ARG A 168 4300 4842 4007 -495 -34 20 N ATOM 989 CA ARG A 168 73.091 32.768 54.712 1.00 35.62 C ANISOU 989 CA ARG A 168 4433 4997 4100 -539 -47 55 C ATOM 990 C ARG A 168 73.517 31.635 53.811 1.00 36.13 C ANISOU 990 C ARG A 168 4522 5102 4103 -552 16 25 C ATOM 991 O ARG A 168 73.993 30.602 54.295 1.00 35.59 O ANISOU 991 O ARG A 168 4467 5021 4032 -495 70 -13 O ATOM 992 CB ARG A 168 74.292 33.523 55.283 1.00 35.05 C ANISOU 992 CB ARG A 168 4339 4933 4043 -550 -54 79 C ATOM 993 CG ARG A 168 75.132 34.239 54.242 1.00 35.42 C ANISOU 993 CG ARG A 168 4385 5033 4039 -645 -58 130 C ATOM 994 CD ARG A 168 76.172 35.123 54.897 1.00 34.89 C ANISOU 994 CD ARG A 168 4293 4981 3982 -710 -86 160 C ATOM 995 NE ARG A 168 76.991 35.819 53.914 1.00 35.67 N ANISOU 995 NE ARG A 168 4387 5149 4013 -850 -82 221 N ATOM 996 CZ ARG A 168 77.885 36.773 54.204 1.00 37.33 C ANISOU 996 CZ ARG A 168 4593 5382 4208 -984 -118 267 C ATOM 997 NH1 ARG A 168 78.101 37.164 55.457 1.00 36.96 N ANISOU 997 NH1 ARG A 168 4553 5283 4206 -983 -173 247 N ATOM 998 NH2 ARG A 168 78.584 37.343 53.221 1.00 38.81 N ANISOU 998 NH2 ARG A 168 4778 5651 4314 -1149 -101 335 N ATOM 0 H ARG A 168 72.738 31.498 56.161 1.00 34.61 H new ATOM 0 HA ARG A 168 72.573 33.427 54.224 1.00 35.62 H new ATOM 0 HB2 ARG A 168 73.975 34.173 55.930 1.00 35.05 H new ATOM 0 HB3 ARG A 168 74.856 32.897 55.763 1.00 35.05 H new ATOM 0 HG2 ARG A 168 75.569 33.588 53.671 1.00 35.42 H new ATOM 0 HG3 ARG A 168 74.559 34.776 53.673 1.00 35.42 H new ATOM 0 HD2 ARG A 168 75.731 35.772 55.468 1.00 34.89 H new ATOM 0 HD3 ARG A 168 76.741 34.584 55.468 1.00 34.89 H new ATOM 0 HE ARG A 168 76.893 35.602 53.088 1.00 35.67 H new ATOM 0 HH11 ARG A 168 77.662 36.802 56.102 1.00 36.96 H new ATOM 0 HH12 ARG A 168 78.680 37.778 55.622 1.00 36.96 H new ATOM 0 HH21 ARG A 168 78.459 37.097 52.406 1.00 38.81 H new ATOM 0 HH22 ARG A 168 79.159 37.956 53.402 1.00 38.81 H new ATOM 999 N PHE A 169 73.298 31.792 52.512 1.00 36.29 N ANISOU 999 N PHE A 169 4573 5156 4058 -614 3 41 N ATOM 1000 CA PHE A 169 73.600 30.698 51.608 1.00 37.02 C ANISOU 1000 CA PHE A 169 4720 5276 4067 -621 69 -9 C ATOM 1001 C PHE A 169 74.180 31.200 50.318 1.00 37.62 C ANISOU 1001 C PHE A 169 4809 5434 4049 -685 88 19 C ATOM 1002 O PHE A 169 73.836 32.277 49.833 1.00 37.69 O ANISOU 1002 O PHE A 169 4825 5451 4041 -756 18 90 O ATOM 1003 CB PHE A 169 72.376 29.796 51.368 1.00 37.85 C ANISOU 1003 CB PHE A 169 4896 5337 4146 -662 44 -51 C ATOM 1004 CG PHE A 169 71.308 30.412 50.527 1.00 38.31 C ANISOU 1004 CG PHE A 169 4949 5437 4170 -746 -46 -12 C ATOM 1005 CD1 PHE A 169 70.295 31.162 51.115 1.00 38.04 C ANISOU 1005 CD1 PHE A 169 4835 5411 4207 -733 -127 27 C ATOM 1006 CD2 PHE A 169 71.309 30.239 49.128 1.00 39.92 C ANISOU 1006 CD2 PHE A 169 5226 5686 4254 -818 -54 -20 C ATOM 1007 CE1 PHE A 169 69.293 31.729 50.329 1.00 39.36 C ANISOU 1007 CE1 PHE A 169 4977 5635 4341 -770 -230 69 C ATOM 1008 CE2 PHE A 169 70.310 30.797 48.331 1.00 40.32 C ANISOU 1008 CE2 PHE A 169 5273 5788 4259 -888 -164 27 C ATOM 1009 CZ PHE A 169 69.292 31.539 48.939 1.00 40.74 C ANISOU 1009 CZ PHE A 169 5226 5853 4397 -853 -260 76 C ATOM 0 H PHE A 169 72.984 32.503 52.144 1.00 36.29 H new ATOM 0 HA PHE A 169 74.274 30.149 52.037 1.00 37.02 H new ATOM 0 HB2 PHE A 169 72.672 28.975 50.945 1.00 37.85 H new ATOM 0 HB3 PHE A 169 71.995 29.552 52.226 1.00 37.85 H new ATOM 0 HD1 PHE A 169 70.286 31.286 52.037 1.00 38.04 H new ATOM 0 HD2 PHE A 169 71.988 29.744 48.729 1.00 39.92 H new ATOM 0 HE1 PHE A 169 68.622 32.235 50.728 1.00 39.36 H new ATOM 0 HE2 PHE A 169 70.320 30.678 47.409 1.00 40.32 H new ATOM 0 HZ PHE A 169 68.613 31.907 48.421 1.00 40.74 H new ATOM 1010 N TRP A 170 75.096 30.394 49.807 1.00 37.86 N ANISOU 1010 N TRP A 170 4853 5522 4008 -644 189 -36 N ATOM 1011 CA TRP A 170 75.800 30.646 48.600 1.00 37.83 C ANISOU 1011 CA TRP A 170 4852 5634 3885 -700 250 -26 C ATOM 1012 C TRP A 170 75.260 29.587 47.639 1.00 38.44 C ANISOU 1012 C TRP A 170 5066 5684 3852 -702 278 -108 C ATOM 1013 O TRP A 170 75.492 28.387 47.848 1.00 37.21 O ANISOU 1013 O TRP A 170 4974 5476 3686 -597 344 -202 O ATOM 1014 CB TRP A 170 77.294 30.444 48.857 1.00 37.94 C ANISOU 1014 CB TRP A 170 4751 5772 3892 -618 361 -50 C ATOM 1015 CG TRP A 170 77.927 31.498 49.699 1.00 36.67 C ANISOU 1015 CG TRP A 170 4462 5661 3810 -665 323 27 C ATOM 1016 CD1 TRP A 170 78.675 32.550 49.252 1.00 37.41 C ANISOU 1016 CD1 TRP A 170 4485 5878 3851 -804 335 104 C ATOM 1017 CD2 TRP A 170 77.913 31.598 51.131 1.00 35.24 C ANISOU 1017 CD2 TRP A 170 4229 5407 3750 -604 264 36 C ATOM 1018 NE1 TRP A 170 79.114 33.307 50.313 1.00 36.72 N ANISOU 1018 NE1 TRP A 170 4315 5787 3850 -844 277 153 N ATOM 1019 CE2 TRP A 170 78.679 32.743 51.479 1.00 35.34 C ANISOU 1019 CE2 TRP A 170 4147 5501 3780 -711 235 107 C ATOM 1020 CE3 TRP A 170 77.352 30.823 52.157 1.00 34.26 C ANISOU 1020 CE3 TRP A 170 4148 5163 3703 -493 235 -6 C ATOM 1021 CZ2 TRP A 170 78.875 33.153 52.811 1.00 34.21 C ANISOU 1021 CZ2 TRP A 170 3956 5317 3726 -699 168 124 C ATOM 1022 CZ3 TRP A 170 77.556 31.221 53.485 1.00 33.64 C ANISOU 1022 CZ3 TRP A 170 4013 5059 3709 -470 182 18 C ATOM 1023 CH2 TRP A 170 78.308 32.384 53.796 1.00 33.31 C ANISOU 1023 CH2 TRP A 170 3881 5096 3680 -566 145 77 C ATOM 0 H TRP A 170 75.324 29.655 50.183 1.00 37.86 H new ATOM 0 HA TRP A 170 75.686 31.544 48.251 1.00 37.83 H new ATOM 0 HB2 TRP A 170 77.423 29.584 49.286 1.00 37.94 H new ATOM 0 HB3 TRP A 170 77.755 30.408 48.004 1.00 37.94 H new ATOM 0 HD1 TRP A 170 78.861 32.729 48.358 1.00 37.41 H new ATOM 0 HE1 TRP A 170 79.587 34.022 50.252 1.00 36.72 H new ATOM 0 HE3 TRP A 170 76.856 30.062 51.960 1.00 34.26 H new ATOM 0 HZ2 TRP A 170 79.369 33.914 53.015 1.00 34.21 H new ATOM 0 HZ3 TRP A 170 77.192 30.714 54.175 1.00 33.64 H new ATOM 0 HH2 TRP A 170 78.419 32.630 54.686 1.00 33.31 H new ATOM 1024 N PRO A 171 74.522 30.012 46.593 1.00 40.18 N ANISOU 1024 N PRO A 171 5361 5924 3979 -823 213 -73 N ATOM 1025 CA PRO A 171 73.886 29.039 45.698 1.00 40.77 C ANISOU 1025 CA PRO A 171 5583 5971 3934 -863 211 -155 C ATOM 1026 C PRO A 171 74.918 28.212 44.902 1.00 41.98 C ANISOU 1026 C PRO A 171 5813 6188 3947 -796 362 -257 C ATOM 1027 O PRO A 171 76.010 28.713 44.613 1.00 40.72 O ANISOU 1027 O PRO A 171 5562 6165 3742 -774 458 -232 O ATOM 1028 CB PRO A 171 73.049 29.931 44.774 1.00 41.95 C ANISOU 1028 CB PRO A 171 5765 6167 4005 -999 91 -68 C ATOM 1029 CG PRO A 171 73.811 31.203 44.684 1.00 41.73 C ANISOU 1029 CG PRO A 171 5664 6210 3980 -1028 102 38 C ATOM 1030 CD PRO A 171 74.377 31.389 46.075 1.00 41.04 C ANISOU 1030 CD PRO A 171 5453 6082 4059 -933 135 44 C ATOM 0 HA PRO A 171 73.365 28.374 46.175 1.00 40.77 H new ATOM 0 HB2 PRO A 171 72.936 29.525 43.900 1.00 41.95 H new ATOM 0 HB3 PRO A 171 72.161 30.077 45.135 1.00 41.95 H new ATOM 0 HG2 PRO A 171 74.515 31.149 44.018 1.00 41.73 H new ATOM 0 HG3 PRO A 171 73.238 31.944 44.432 1.00 41.73 H new ATOM 0 HD2 PRO A 171 75.230 31.851 46.052 1.00 41.04 H new ATOM 0 HD3 PRO A 171 73.783 31.917 46.632 1.00 41.04 H new ATOM 1031 N SER A 172 74.591 26.953 44.596 1.00 42.35 N ANISOU 1031 N SER A 172 6029 6141 3920 -766 388 -377 N ATOM 1032 CA SER A 172 75.525 26.090 43.868 1.00 45.01 C ANISOU 1032 CA SER A 172 6470 6515 4113 -654 540 -502 C ATOM 1033 C SER A 172 75.628 26.506 42.396 1.00 47.31 C ANISOU 1033 C SER A 172 6824 6949 4199 -770 575 -503 C ATOM 1034 O SER A 172 74.620 26.605 41.695 1.00 46.41 O ANISOU 1034 O SER A 172 6827 6810 3997 -930 462 -486 O ATOM 1035 CB SER A 172 75.125 24.607 43.951 1.00 46.05 C ANISOU 1035 CB SER A 172 6838 6453 4206 -592 547 -640 C ATOM 1036 OG SER A 172 75.836 23.814 42.990 1.00 46.68 O ANISOU 1036 OG SER A 172 7077 6552 4105 -485 682 -781 O ATOM 0 H SER A 172 73.841 26.583 44.799 1.00 42.35 H new ATOM 0 HA SER A 172 76.390 26.198 44.294 1.00 45.01 H new ATOM 0 HB2 SER A 172 75.304 24.272 44.844 1.00 46.05 H new ATOM 0 HB3 SER A 172 74.171 24.520 43.801 1.00 46.05 H new ATOM 0 HG SER A 172 75.599 23.011 43.059 1.00 46.68 H new ATOM 1037 N LEU A 173 76.858 26.703 41.933 1.00 49.75 N ANISOU 1037 N LEU A 173 7050 7433 4420 -691 732 -523 N ATOM 1038 CA LEU A 173 77.120 27.054 40.543 1.00 52.65 C ANISOU 1038 CA LEU A 173 7480 7963 4559 -801 801 -525 C ATOM 1039 C LEU A 173 77.191 25.834 39.623 1.00 54.91 C ANISOU 1039 C LEU A 173 8000 8217 4643 -724 904 -711 C ATOM 1040 O LEU A 173 77.282 25.999 38.408 1.00 56.33 O ANISOU 1040 O LEU A 173 8278 8524 4600 -825 959 -733 O ATOM 1041 CB LEU A 173 78.398 27.894 40.453 1.00 54.83 C ANISOU 1041 CB LEU A 173 7541 8482 4810 -795 936 -453 C ATOM 1042 CG LEU A 173 78.422 29.107 41.407 1.00 54.56 C ANISOU 1042 CG LEU A 173 7316 8450 4963 -883 832 -283 C ATOM 1043 CD1 LEU A 173 79.747 29.853 41.327 1.00 56.62 C ANISOU 1043 CD1 LEU A 173 7369 8961 5183 -924 964 -217 C ATOM 1044 CD2 LEU A 173 77.256 30.052 41.138 1.00 54.56 C ANISOU 1044 CD2 LEU A 173 7407 8353 4968 -1079 640 -149 C ATOM 0 H LEU A 173 77.565 26.637 42.418 1.00 49.75 H new ATOM 0 HA LEU A 173 76.368 27.580 40.228 1.00 52.65 H new ATOM 0 HB2 LEU A 173 79.161 27.327 40.647 1.00 54.83 H new ATOM 0 HB3 LEU A 173 78.503 28.209 39.542 1.00 54.83 H new ATOM 0 HG LEU A 173 78.326 28.762 42.309 1.00 54.56 H new ATOM 0 HD11 LEU A 173 79.731 30.608 41.936 1.00 56.62 H new ATOM 0 HD12 LEU A 173 80.470 29.255 41.572 1.00 56.62 H new ATOM 0 HD13 LEU A 173 79.885 30.172 40.421 1.00 56.62 H new ATOM 0 HD21 LEU A 173 77.299 30.802 41.752 1.00 54.56 H new ATOM 0 HD22 LEU A 173 77.307 30.378 40.226 1.00 54.56 H new ATOM 0 HD23 LEU A 173 76.419 29.578 41.265 1.00 54.56 H new ATOM 1045 N GLU A 174 77.181 24.629 40.200 1.00 60.40 N ANISOU 1045 N GLU A 174 8909 7157 6884 1038 1120 457 N ATOM 1046 CA GLU A 174 76.867 23.400 39.471 1.00 64.61 C ANISOU 1046 CA GLU A 174 9829 7206 7513 980 1500 337 C ATOM 1047 C GLU A 174 75.379 23.243 39.154 1.00 62.74 C ANISOU 1047 C GLU A 174 9787 6756 7295 441 1614 117 C ATOM 1048 O GLU A 174 75.037 22.418 38.326 1.00 66.23 O ANISOU 1048 O GLU A 174 10488 6893 7783 224 1924 -89 O ATOM 1049 CB GLU A 174 77.336 22.146 40.234 1.00 72.12 C ANISOU 1049 CB GLU A 174 11152 7779 8471 1468 1813 599 C ATOM 1050 CG GLU A 174 78.827 21.853 40.135 1.00 77.98 C ANISOU 1050 CG GLU A 174 11761 8682 9185 2061 1847 756 C ATOM 1051 CD GLU A 174 79.618 22.520 41.243 1.00 81.47 C ANISOU 1051 CD GLU A 174 11829 9666 9458 2439 1539 1031 C ATOM 1052 OE1 GLU A 174 79.555 22.024 42.401 1.00 87.83 O ANISOU 1052 OE1 GLU A 174 12817 10373 10179 2762 1611 1334 O ATOM 1053 OE2 GLU A 174 80.297 23.535 40.960 1.00 81.44 O ANISOU 1053 OE2 GLU A 174 11359 10206 9376 2377 1248 931 O ATOM 0 H GLU A 174 77.358 24.503 41.032 1.00 60.40 H new ATOM 0 HA GLU A 174 77.350 23.481 38.634 1.00 64.61 H new ATOM 0 HB2 GLU A 174 77.101 22.247 41.170 1.00 72.12 H new ATOM 0 HB3 GLU A 174 76.846 21.378 39.900 1.00 72.12 H new ATOM 0 HG2 GLU A 174 78.969 20.894 40.171 1.00 77.98 H new ATOM 0 HG3 GLU A 174 79.158 22.157 39.276 1.00 77.98 H new ATOM 1054 N THR A 175 74.499 23.988 39.821 1.00 59.49 N ANISOU 1054 N THR A 175 9241 6537 6822 218 1397 136 N ATOM 1055 CA THR A 175 73.038 23.904 39.605 1.00 58.42 C ANISOU 1055 CA THR A 175 9201 6345 6648 -276 1479 -81 C ATOM 1056 C THR A 175 72.496 25.041 38.737 1.00 55.05 C ANISOU 1056 C THR A 175 8421 6329 6166 -577 1210 -271 C ATOM 1057 O THR A 175 71.750 24.808 37.791 1.00 55.67 O ANISOU 1057 O THR A 175 8506 6453 6191 -938 1326 -525 O ATOM 1058 CB THR A 175 72.292 23.939 40.961 1.00 58.12 C ANISOU 1058 CB THR A 175 9248 6282 6550 -305 1441 62 C ATOM 1059 OG1 THR A 175 72.670 22.802 41.733 1.00 61.36 O ANISOU 1059 OG1 THR A 175 10058 6278 6976 -33 1735 268 O ATOM 1060 CG2 THR A 175 70.773 23.927 40.792 1.00 57.89 C ANISOU 1060 CG2 THR A 175 9236 6321 6437 -819 1506 -188 C ATOM 0 H THR A 175 74.727 24.563 40.418 1.00 59.49 H new ATOM 0 HA THR A 175 72.884 23.066 39.142 1.00 58.42 H new ATOM 0 HB THR A 175 72.538 24.766 41.405 1.00 58.12 H new ATOM 0 HG1 THR A 175 72.268 22.818 42.471 1.00 61.36 H new ATOM 0 HG21 THR A 175 70.350 23.950 41.665 1.00 57.89 H new ATOM 0 HG22 THR A 175 70.498 24.703 40.279 1.00 57.89 H new ATOM 0 HG23 THR A 175 70.506 23.120 40.325 1.00 57.89 H new ATOM 1061 N PHE A 176 72.854 26.267 39.098 1.00 52.17 N ANISOU 1061 N PHE A 176 7762 6276 5782 -427 881 -144 N ATOM 1062 CA PHE A 176 72.286 27.462 38.505 1.00 49.96 C ANISOU 1062 CA PHE A 176 7214 6331 5435 -622 642 -243 C ATOM 1063 C PHE A 176 73.205 27.990 37.424 1.00 49.02 C ANISOU 1063 C PHE A 176 6946 6357 5321 -569 555 -282 C ATOM 1064 O PHE A 176 74.404 28.093 37.650 1.00 48.01 O ANISOU 1064 O PHE A 176 6773 6236 5230 -320 518 -173 O ATOM 1065 CB PHE A 176 72.053 28.525 39.587 1.00 48.44 C ANISOU 1065 CB PHE A 176 6874 6314 5214 -528 409 -103 C ATOM 1066 CG PHE A 176 71.119 28.070 40.675 1.00 49.47 C ANISOU 1066 CG PHE A 176 7125 6352 5319 -606 484 -76 C ATOM 1067 CD1 PHE A 176 69.743 28.002 40.446 1.00 50.65 C ANISOU 1067 CD1 PHE A 176 7249 6611 5384 -904 527 -247 C ATOM 1068 CD2 PHE A 176 71.601 27.681 41.910 1.00 50.18 C ANISOU 1068 CD2 PHE A 176 7328 6311 5424 -394 521 113 C ATOM 1069 CE1 PHE A 176 68.875 27.565 41.432 1.00 50.73 C ANISOU 1069 CE1 PHE A 176 7362 6567 5343 -1030 618 -256 C ATOM 1070 CE2 PHE A 176 70.736 27.241 42.901 1.00 51.62 C ANISOU 1070 CE2 PHE A 176 7647 6405 5560 -498 609 142 C ATOM 1071 CZ PHE A 176 69.373 27.177 42.657 1.00 51.90 C ANISOU 1071 CZ PHE A 176 7675 6514 5529 -839 667 -57 C ATOM 0 H PHE A 176 73.443 26.427 39.704 1.00 52.17 H new ATOM 0 HA PHE A 176 71.432 27.243 38.101 1.00 49.96 H new ATOM 0 HB2 PHE A 176 72.905 28.768 39.981 1.00 48.44 H new ATOM 0 HB3 PHE A 176 71.693 29.325 39.174 1.00 48.44 H new ATOM 0 HD1 PHE A 176 69.404 28.254 39.618 1.00 50.65 H new ATOM 0 HD2 PHE A 176 72.515 27.715 42.079 1.00 50.18 H new ATOM 0 HE1 PHE A 176 67.960 27.533 41.268 1.00 50.73 H new ATOM 0 HE2 PHE A 176 71.071 26.988 43.731 1.00 51.62 H new ATOM 0 HZ PHE A 176 68.795 26.873 43.319 1.00 51.90 H new ATOM 1072 N THR A 177 72.624 28.303 36.257 1.00 49.08 N ANISOU 1072 N THR A 177 6855 6542 5249 -814 529 -443 N ATOM 1073 CA THR A 177 73.335 28.838 35.080 1.00 48.23 C ANISOU 1073 CA THR A 177 6620 6598 5105 -834 458 -494 C ATOM 1074 C THR A 177 72.676 30.134 34.606 1.00 47.35 C ANISOU 1074 C THR A 177 6339 6781 4868 -922 245 -465 C ATOM 1075 O THR A 177 71.494 30.359 34.875 1.00 47.30 O ANISOU 1075 O THR A 177 6285 6899 4785 -1002 193 -474 O ATOM 1076 CB THR A 177 73.284 27.844 33.893 1.00 50.07 C ANISOU 1076 CB THR A 177 6928 6781 5313 -1047 688 -718 C ATOM 1077 OG1 THR A 177 71.923 27.466 33.629 1.00 50.33 O ANISOU 1077 OG1 THR A 177 6967 6922 5233 -1357 776 -884 O ATOM 1078 CG2 THR A 177 74.110 26.589 34.180 1.00 52.37 C ANISOU 1078 CG2 THR A 177 7449 6712 5737 -882 959 -733 C ATOM 0 H THR A 177 71.780 28.207 36.123 1.00 49.08 H new ATOM 0 HA THR A 177 74.254 28.990 35.351 1.00 48.23 H new ATOM 0 HB THR A 177 73.661 28.289 33.118 1.00 50.07 H new ATOM 0 HG1 THR A 177 71.901 26.928 32.984 1.00 50.33 H new ATOM 0 HG21 THR A 177 74.059 25.987 33.421 1.00 52.37 H new ATOM 0 HG22 THR A 177 75.035 26.838 34.333 1.00 52.37 H new ATOM 0 HG23 THR A 177 73.761 26.145 34.968 1.00 52.37 H new ATOM 1079 N ASN A 178 73.440 30.965 33.890 1.00 47.98 N ANISOU 1079 N ASN A 178 6344 6981 4906 -891 148 -425 N ATOM 1080 CA ASN A 178 72.956 32.215 33.231 1.00 48.33 C ANISOU 1080 CA ASN A 178 6305 7250 4806 -925 -1 -354 C ATOM 1081 C ASN A 178 72.653 33.370 34.191 1.00 45.76 C ANISOU 1081 C ASN A 178 6001 6896 4486 -775 -129 -191 C ATOM 1082 O ASN A 178 73.184 34.466 34.027 1.00 44.70 O ANISOU 1082 O ASN A 178 5913 6757 4312 -731 -185 -98 O ATOM 1083 CB ASN A 178 71.711 31.988 32.363 1.00 50.77 C ANISOU 1083 CB ASN A 178 6515 7827 4948 -1086 6 -450 C ATOM 1084 CG ASN A 178 71.891 30.881 31.370 1.00 54.42 C ANISOU 1084 CG ASN A 178 6964 8338 5373 -1315 176 -667 C ATOM 1085 OD1 ASN A 178 72.839 30.891 30.581 1.00 56.35 O ANISOU 1085 OD1 ASN A 178 7215 8577 5618 -1347 211 -703 O ATOM 1086 ND2 ASN A 178 70.967 29.911 31.387 1.00 56.81 N ANISOU 1086 ND2 ASN A 178 7257 8701 5624 -1521 317 -849 N ATOM 0 H ASN A 178 74.279 30.824 33.764 1.00 47.98 H new ATOM 0 HA ASN A 178 73.711 32.470 32.678 1.00 48.33 H new ATOM 0 HB2 ASN A 178 70.955 31.784 32.936 1.00 50.77 H new ATOM 0 HB3 ASN A 178 71.496 32.808 31.892 1.00 50.77 H new ATOM 0 HD21 ASN A 178 71.020 29.257 30.831 1.00 56.81 H new ATOM 0 HD22 ASN A 178 70.321 29.942 31.954 1.00 56.81 H new ATOM 1087 N VAL A 179 71.738 33.132 35.129 1.00 44.09 N ANISOU 1087 N VAL A 179 5782 6661 4305 -735 -140 -183 N ATOM 1088 CA VAL A 179 71.489 34.039 36.238 1.00 43.19 C ANISOU 1088 CA VAL A 179 5698 6489 4223 -601 -220 -69 C ATOM 1089 C VAL A 179 71.961 33.320 37.506 1.00 42.22 C ANISOU 1089 C VAL A 179 5614 6207 4221 -567 -171 -70 C ATOM 1090 O VAL A 179 71.260 32.452 38.032 1.00 42.18 O ANISOU 1090 O VAL A 179 5622 6167 4235 -608 -111 -114 O ATOM 1091 CB VAL A 179 69.993 34.468 36.337 1.00 43.19 C ANISOU 1091 CB VAL A 179 5620 6671 4119 -546 -280 -49 C ATOM 1092 CG1 VAL A 179 69.785 35.407 37.527 1.00 43.43 C ANISOU 1092 CG1 VAL A 179 5704 6598 4198 -401 -323 41 C ATOM 1093 CG2 VAL A 179 69.548 35.151 35.061 1.00 42.91 C ANISOU 1093 CG2 VAL A 179 5527 6866 3910 -497 -331 5 C ATOM 0 H VAL A 179 71.241 32.430 35.136 1.00 44.09 H new ATOM 0 HA VAL A 179 71.976 34.868 36.108 1.00 43.19 H new ATOM 0 HB VAL A 179 69.458 33.670 36.467 1.00 43.19 H new ATOM 0 HG11 VAL A 179 68.851 35.665 37.576 1.00 43.43 H new ATOM 0 HG12 VAL A 179 70.038 34.953 38.346 1.00 43.43 H new ATOM 0 HG13 VAL A 179 70.334 36.199 37.414 1.00 43.43 H new ATOM 0 HG21 VAL A 179 68.617 35.410 35.140 1.00 42.91 H new ATOM 0 HG22 VAL A 179 70.091 35.940 34.910 1.00 42.91 H new ATOM 0 HG23 VAL A 179 69.650 34.540 34.314 1.00 42.91 H new ATOM 1094 N THR A 180 73.168 33.678 37.961 1.00 40.88 N ANISOU 1094 N THR A 180 5456 5986 4088 -508 -181 -24 N ATOM 1095 CA THR A 180 73.771 33.109 39.157 1.00 40.04 C ANISOU 1095 CA THR A 180 5343 5835 4035 -416 -154 18 C ATOM 1096 C THR A 180 73.955 34.161 40.234 1.00 39.43 C ANISOU 1096 C THR A 180 5237 5819 3925 -404 -220 63 C ATOM 1097 O THR A 180 74.569 33.906 41.274 1.00 39.51 O ANISOU 1097 O THR A 180 5190 5901 3920 -337 -220 104 O ATOM 1098 CB THR A 180 75.129 32.435 38.829 1.00 41.03 C ANISOU 1098 CB THR A 180 5429 5989 4171 -336 -90 7 C ATOM 1099 OG1 THR A 180 76.069 33.409 38.353 1.00 40.63 O ANISOU 1099 OG1 THR A 180 5302 6084 4049 -407 -133 -29 O ATOM 1100 CG2 THR A 180 74.948 31.338 37.776 1.00 41.43 C ANISOU 1100 CG2 THR A 180 5548 5929 4262 -369 33 -75 C ATOM 0 H THR A 180 73.661 34.267 37.573 1.00 40.88 H new ATOM 0 HA THR A 180 73.164 32.432 39.494 1.00 40.04 H new ATOM 0 HB THR A 180 75.470 32.035 39.644 1.00 41.03 H new ATOM 0 HG1 THR A 180 76.800 33.032 38.180 1.00 40.63 H new ATOM 0 HG21 THR A 180 75.806 30.929 37.584 1.00 41.43 H new ATOM 0 HG22 THR A 180 74.337 30.664 38.112 1.00 41.43 H new ATOM 0 HG23 THR A 180 74.586 31.725 36.964 1.00 41.43 H new ATOM 1101 N GLU A 181 73.414 35.347 39.994 1.00 39.36 N ANISOU 1101 N GLU A 181 5277 5794 3881 -458 -252 57 N ATOM 1102 CA GLU A 181 73.480 36.429 40.958 1.00 38.94 C ANISOU 1102 CA GLU A 181 5255 5740 3799 -490 -251 55 C ATOM 1103 C GLU A 181 72.059 36.888 41.291 1.00 39.47 C ANISOU 1103 C GLU A 181 5371 5745 3879 -421 -267 76 C ATOM 1104 O GLU A 181 71.164 36.871 40.432 1.00 38.01 O ANISOU 1104 O GLU A 181 5193 5575 3674 -354 -289 99 O ATOM 1105 CB GLU A 181 74.288 37.589 40.391 1.00 39.19 C ANISOU 1105 CB GLU A 181 5379 5748 3761 -609 -193 17 C ATOM 1106 CG GLU A 181 75.777 37.314 40.217 1.00 39.64 C ANISOU 1106 CG GLU A 181 5327 5977 3757 -713 -169 -50 C ATOM 1107 CD GLU A 181 76.487 38.525 39.637 1.00 41.10 C ANISOU 1107 CD GLU A 181 5638 6136 3840 -923 -68 -125 C ATOM 1108 OE1 GLU A 181 76.560 38.601 38.387 1.00 41.44 O ANISOU 1108 OE1 GLU A 181 5760 6120 3865 -944 -52 -103 O ATOM 1109 OE2 GLU A 181 76.923 39.419 40.413 1.00 41.69 O ANISOU 1109 OE2 GLU A 181 5760 6246 3832 -1103 23 -219 O ATOM 0 H GLU A 181 72.999 35.545 39.267 1.00 39.36 H new ATOM 0 HA GLU A 181 73.918 36.118 41.766 1.00 38.94 H new ATOM 0 HB2 GLU A 181 73.916 37.834 39.530 1.00 39.19 H new ATOM 0 HB3 GLU A 181 74.181 38.356 40.975 1.00 39.19 H new ATOM 0 HG2 GLU A 181 76.170 37.084 41.074 1.00 39.64 H new ATOM 0 HG3 GLU A 181 75.903 36.550 39.633 1.00 39.64 H new ATOM 1110 N PHE A 182 71.874 37.329 42.538 1.00 40.11 N ANISOU 1110 N PHE A 182 5451 5828 3959 -435 -253 54 N ATOM 1111 CA PHE A 182 70.588 37.891 42.972 1.00 40.94 C ANISOU 1111 CA PHE A 182 5586 5900 4068 -347 -247 51 C ATOM 1112 C PHE A 182 70.321 39.300 42.406 1.00 42.51 C ANISOU 1112 C PHE A 182 5960 5953 4238 -257 -170 77 C ATOM 1113 O PHE A 182 71.225 40.126 42.290 1.00 43.46 O ANISOU 1113 O PHE A 182 6231 5945 4334 -365 -72 52 O ATOM 1114 CB PHE A 182 70.461 37.836 44.504 1.00 40.48 C ANISOU 1114 CB PHE A 182 5471 5900 4009 -404 -237 3 C ATOM 1115 CG PHE A 182 70.612 36.442 45.040 1.00 40.04 C ANISOU 1115 CG PHE A 182 5312 5944 3954 -430 -281 40 C ATOM 1116 CD1 PHE A 182 69.582 35.512 44.886 1.00 39.95 C ANISOU 1116 CD1 PHE A 182 5274 5949 3953 -412 -291 44 C ATOM 1117 CD2 PHE A 182 71.819 36.015 45.593 1.00 39.51 C ANISOU 1117 CD2 PHE A 182 5189 5976 3845 -467 -283 73 C ATOM 1118 CE1 PHE A 182 69.740 34.206 45.334 1.00 39.95 C ANISOU 1118 CE1 PHE A 182 5286 5942 3951 -443 -260 91 C ATOM 1119 CE2 PHE A 182 71.979 34.715 46.040 1.00 39.57 C ANISOU 1119 CE2 PHE A 182 5167 6025 3841 -402 -286 165 C ATOM 1120 CZ PHE A 182 70.941 33.812 45.910 1.00 40.01 C ANISOU 1120 CZ PHE A 182 5289 5974 3936 -396 -254 180 C ATOM 0 H PHE A 182 72.479 37.312 43.149 1.00 40.11 H new ATOM 0 HA PHE A 182 69.890 37.332 42.596 1.00 40.94 H new ATOM 0 HB2 PHE A 182 71.135 38.408 44.903 1.00 40.48 H new ATOM 0 HB3 PHE A 182 69.597 38.190 44.767 1.00 40.48 H new ATOM 0 HD1 PHE A 182 68.785 35.768 44.481 1.00 39.95 H new ATOM 0 HD2 PHE A 182 72.528 36.613 45.662 1.00 39.51 H new ATOM 0 HE1 PHE A 182 69.043 33.597 45.248 1.00 39.95 H new ATOM 0 HE2 PHE A 182 72.782 34.450 46.427 1.00 39.57 H new ATOM 0 HZ PHE A 182 71.047 32.938 46.209 1.00 40.01 H new ATOM 1121 N GLU A 183 69.046 39.558 42.124 1.00 42.97 N ANISOU 1121 N GLU A 183 6003 6052 4269 -54 -189 125 N ATOM 1122 CA GLU A 183 68.560 40.716 41.411 1.00 45.19 C ANISOU 1122 CA GLU A 183 6456 6219 4494 168 -115 223 C ATOM 1123 C GLU A 183 67.600 41.403 42.373 1.00 45.76 C ANISOU 1123 C GLU A 183 6553 6256 4576 340 -47 194 C ATOM 1124 O GLU A 183 66.621 40.799 42.803 1.00 45.20 O ANISOU 1124 O GLU A 183 6261 6427 4485 406 -132 149 O ATOM 1125 CB GLU A 183 67.843 40.277 40.144 1.00 47.23 C ANISOU 1125 CB GLU A 183 6584 6708 4651 329 -214 317 C ATOM 1126 CG GLU A 183 68.760 39.505 39.210 1.00 47.39 C ANISOU 1126 CG GLU A 183 6568 6770 4667 134 -261 308 C ATOM 1127 CD GLU A 183 68.163 39.243 37.852 1.00 50.97 C ANISOU 1127 CD GLU A 183 6911 7474 4978 242 -328 381 C ATOM 1128 OE1 GLU A 183 68.931 38.880 36.949 1.00 55.64 O ANISOU 1128 OE1 GLU A 183 7520 8071 5549 103 -333 379 O ATOM 1129 OE2 GLU A 183 66.949 39.413 37.652 1.00 54.96 O ANISOU 1129 OE2 GLU A 183 7283 8236 5361 464 -373 431 O ATOM 0 H GLU A 183 68.412 39.027 42.360 1.00 42.97 H new ATOM 0 HA GLU A 183 69.274 41.313 41.138 1.00 45.19 H new ATOM 0 HB2 GLU A 183 67.082 39.724 40.379 1.00 47.23 H new ATOM 0 HB3 GLU A 183 67.495 41.057 39.683 1.00 47.23 H new ATOM 0 HG2 GLU A 183 69.587 40.000 39.100 1.00 47.39 H new ATOM 0 HG3 GLU A 183 68.989 38.657 39.623 1.00 47.39 H new ATOM 1130 N TYR A 184 67.914 42.651 42.719 1.00 45.85 N ANISOU 1130 N TYR A 184 6852 5961 4605 373 143 189 N ATOM 1131 CA TYR A 184 67.241 43.386 43.789 1.00 46.00 C ANISOU 1131 CA TYR A 184 6948 5876 4652 485 272 111 C ATOM 1132 C TYR A 184 65.723 43.494 43.576 1.00 48.04 C ANISOU 1132 C TYR A 184 7066 6336 4848 906 220 199 C ATOM 1133 O TYR A 184 64.966 43.382 44.537 1.00 46.47 O ANISOU 1133 O TYR A 184 6714 6281 4662 944 214 89 O ATOM 1134 CB TYR A 184 67.851 44.787 43.911 1.00 46.76 C ANISOU 1134 CB TYR A 184 7470 5535 4758 441 565 84 C ATOM 1135 CG TYR A 184 67.365 45.598 45.076 1.00 47.81 C ANISOU 1135 CG TYR A 184 7738 5496 4929 482 767 -50 C ATOM 1136 CD1 TYR A 184 67.986 45.490 46.324 1.00 46.73 C ANISOU 1136 CD1 TYR A 184 7533 5407 4812 84 822 -283 C ATOM 1137 CD2 TYR A 184 66.298 46.489 44.945 1.00 50.18 C ANISOU 1137 CD2 TYR A 184 8224 5621 5220 941 920 50 C ATOM 1138 CE1 TYR A 184 67.557 46.240 47.411 1.00 48.42 C ANISOU 1138 CE1 TYR A 184 7868 5482 5047 69 1032 -448 C ATOM 1139 CE2 TYR A 184 65.860 47.244 46.027 1.00 52.00 C ANISOU 1139 CE2 TYR A 184 8597 5665 5493 985 1146 -103 C ATOM 1140 CZ TYR A 184 66.491 47.118 47.260 1.00 50.97 C ANISOU 1140 CZ TYR A 184 8404 5566 5394 512 1207 -372 C ATOM 1141 OH TYR A 184 66.089 47.853 48.344 1.00 52.14 O ANISOU 1141 OH TYR A 184 8685 5554 5571 497 1449 -564 O ATOM 0 H TYR A 184 68.535 43.102 42.331 1.00 45.85 H new ATOM 0 HA TYR A 184 67.376 42.886 44.609 1.00 46.00 H new ATOM 0 HB2 TYR A 184 68.815 44.700 43.976 1.00 46.76 H new ATOM 0 HB3 TYR A 184 67.665 45.277 43.095 1.00 46.76 H new ATOM 0 HD1 TYR A 184 68.701 44.904 46.428 1.00 46.73 H new ATOM 0 HD2 TYR A 184 65.874 46.579 44.122 1.00 50.18 H new ATOM 0 HE1 TYR A 184 67.980 46.155 48.235 1.00 48.42 H new ATOM 0 HE2 TYR A 184 65.147 47.832 45.927 1.00 52.00 H new ATOM 0 HH TYR A 184 65.442 48.343 48.126 1.00 52.14 H new ATOM 1142 N GLU A 185 65.306 43.697 42.324 1.00 51.37 N ANISOU 1142 N GLU A 185 7508 6842 5166 1211 181 388 N ATOM 1143 CA GLU A 185 63.916 43.992 42.005 1.00 56.26 C ANISOU 1143 CA GLU A 185 7975 7742 5657 1687 150 498 C ATOM 1144 C GLU A 185 63.052 42.745 42.119 1.00 53.50 C ANISOU 1144 C GLU A 185 7148 7954 5223 1592 -65 382 C ATOM 1145 O GLU A 185 61.878 42.844 42.491 1.00 55.08 O ANISOU 1145 O GLU A 185 7126 8473 5329 1848 -83 342 O ATOM 1146 CB GLU A 185 63.763 44.617 40.605 1.00 62.51 C ANISOU 1146 CB GLU A 185 8919 8533 6299 2072 177 771 C ATOM 1147 CG GLU A 185 64.523 45.925 40.355 1.00 68.38 C ANISOU 1147 CG GLU A 185 10227 8667 7084 2179 458 913 C ATOM 1148 CD GLU A 185 64.201 47.070 41.325 1.00 74.95 C ANISOU 1148 CD GLU A 185 11387 9092 7997 2402 747 875 C ATOM 1149 OE1 GLU A 185 63.121 47.085 41.975 1.00 78.77 O ANISOU 1149 OE1 GLU A 185 11647 9818 8462 2690 722 822 O ATOM 1150 OE2 GLU A 185 65.050 47.991 41.433 1.00 79.99 O ANISOU 1150 OE2 GLU A 185 12528 9160 8704 2256 1039 869 O ATOM 0 H GLU A 185 65.825 43.667 41.639 1.00 51.37 H new ATOM 0 HA GLU A 185 63.612 44.644 42.655 1.00 56.26 H new ATOM 0 HB2 GLU A 185 64.055 43.966 39.948 1.00 62.51 H new ATOM 0 HB3 GLU A 185 62.820 44.778 40.446 1.00 62.51 H new ATOM 0 HG2 GLU A 185 65.475 45.742 40.399 1.00 68.38 H new ATOM 0 HG3 GLU A 185 64.334 46.224 39.452 1.00 68.38 H new ATOM 1151 N ILE A 186 63.608 41.577 41.823 1.00 49.23 N ANISOU 1151 N ILE A 186 6463 7540 4701 1217 -193 306 N ATOM 1152 CA ILE A 186 62.839 40.362 42.005 1.00 48.64 C ANISOU 1152 CA ILE A 186 6025 7910 4543 1035 -318 158 C ATOM 1153 C ILE A 186 62.530 40.155 43.480 1.00 47.73 C ANISOU 1153 C ILE A 186 5850 7775 4507 882 -280 -5 C ATOM 1154 O ILE A 186 61.404 39.815 43.826 1.00 48.01 O ANISOU 1154 O ILE A 186 5615 8198 4425 919 -315 -114 O ATOM 1155 CB ILE A 186 63.511 39.135 41.389 1.00 47.08 C ANISOU 1155 CB ILE A 186 5768 7761 4358 677 -391 105 C ATOM 1156 CG1 ILE A 186 63.540 39.298 39.864 1.00 49.18 C ANISOU 1156 CG1 ILE A 186 6010 8191 4482 825 -438 236 C ATOM 1157 CG2 ILE A 186 62.730 37.865 41.742 1.00 47.02 C ANISOU 1157 CG2 ILE A 186 5488 8110 4267 412 -431 -83 C ATOM 1158 CD1 ILE A 186 64.459 38.338 39.160 1.00 47.59 C ANISOU 1158 CD1 ILE A 186 5836 7922 4323 501 -461 190 C ATOM 0 H ILE A 186 64.407 41.470 41.524 1.00 49.23 H new ATOM 0 HA ILE A 186 62.003 40.471 41.525 1.00 48.64 H new ATOM 0 HB ILE A 186 64.412 39.057 41.739 1.00 47.08 H new ATOM 0 HG12 ILE A 186 62.641 39.182 39.519 1.00 49.18 H new ATOM 0 HG13 ILE A 186 63.811 40.205 39.651 1.00 49.18 H new ATOM 0 HG21 ILE A 186 63.167 37.095 41.345 1.00 47.02 H new ATOM 0 HG22 ILE A 186 62.702 37.759 42.706 1.00 47.02 H new ATOM 0 HG23 ILE A 186 61.825 37.935 41.399 1.00 47.02 H new ATOM 0 HD11 ILE A 186 64.425 38.499 38.204 1.00 47.59 H new ATOM 0 HD12 ILE A 186 65.367 38.467 39.477 1.00 47.59 H new ATOM 0 HD13 ILE A 186 64.179 37.428 39.344 1.00 47.59 H new ATOM 1159 N LEU A 187 63.507 40.413 44.343 1.00 40.91 N ANISOU 1159 N LEU A 187 5058 5947 4535 -541 -94 409 N ATOM 1160 CA LEU A 187 63.300 40.247 45.787 1.00 41.15 C ANISOU 1160 CA LEU A 187 4894 6110 4628 -477 -129 450 C ATOM 1161 C LEU A 187 62.429 41.352 46.327 1.00 41.51 C ANISOU 1161 C LEU A 187 4921 6189 4662 -476 -230 410 C ATOM 1162 O LEU A 187 61.523 41.081 47.102 1.00 42.89 O ANISOU 1162 O LEU A 187 5007 6431 4857 -420 -299 448 O ATOM 1163 CB LEU A 187 64.617 40.228 46.543 1.00 41.32 C ANISOU 1163 CB LEU A 187 4727 6345 4626 -425 -50 424 C ATOM 1164 CG LEU A 187 65.580 39.110 46.164 1.00 42.07 C ANISOU 1164 CG LEU A 187 4801 6414 4767 -366 93 520 C ATOM 1165 CD1 LEU A 187 66.842 39.195 47.013 1.00 43.41 C ANISOU 1165 CD1 LEU A 187 4686 6973 4833 -230 122 471 C ATOM 1166 CD2 LEU A 187 64.929 37.742 46.303 1.00 42.90 C ANISOU 1166 CD2 LEU A 187 4898 6376 5025 -251 238 723 C ATOM 0 H LEU A 187 64.292 40.683 44.120 1.00 40.91 H new ATOM 0 HA LEU A 187 62.859 39.393 45.918 1.00 41.15 H new ATOM 0 HB2 LEU A 187 65.063 41.078 46.404 1.00 41.32 H new ATOM 0 HB3 LEU A 187 64.426 40.160 47.492 1.00 41.32 H new ATOM 0 HG LEU A 187 65.821 39.224 45.231 1.00 42.07 H new ATOM 0 HD11 LEU A 187 67.448 38.480 46.764 1.00 43.41 H new ATOM 0 HD12 LEU A 187 67.274 40.051 46.866 1.00 43.41 H new ATOM 0 HD13 LEU A 187 66.608 39.109 47.950 1.00 43.41 H new ATOM 0 HD21 LEU A 187 65.566 37.054 46.055 1.00 42.90 H new ATOM 0 HD22 LEU A 187 64.650 37.608 47.222 1.00 42.90 H new ATOM 0 HD23 LEU A 187 64.155 37.691 45.720 1.00 42.90 H new ATOM 1167 N ALA A 188 62.700 42.581 45.898 1.00 42.10 N ANISOU 1167 N ALA A 188 5077 6148 4768 -529 -147 350 N ATOM 1168 CA ALA A 188 61.994 43.762 46.375 1.00 43.65 C ANISOU 1168 CA ALA A 188 5239 6277 5067 -533 -115 304 C ATOM 1169 C ALA A 188 60.507 43.643 46.120 1.00 43.80 C ANISOU 1169 C ALA A 188 5338 6292 5013 -420 -282 440 C ATOM 1170 O ALA A 188 59.713 43.772 47.029 1.00 43.94 O ANISOU 1170 O ALA A 188 5236 6373 5084 -418 -365 394 O ATOM 1171 CB ALA A 188 62.543 45.017 45.710 1.00 45.30 C ANISOU 1171 CB ALA A 188 5551 6200 5458 -566 200 293 C ATOM 0 H ALA A 188 63.307 42.753 45.314 1.00 42.10 H new ATOM 0 HA ALA A 188 62.135 43.829 47.332 1.00 43.65 H new ATOM 0 HB1 ALA A 188 62.063 45.794 46.038 1.00 45.30 H new ATOM 0 HB2 ALA A 188 63.486 45.108 45.919 1.00 45.30 H new ATOM 0 HB3 ALA A 188 62.430 44.950 44.749 1.00 45.30 H new ATOM 1172 N LYS A 189 60.152 43.371 44.875 1.00 46.91 N ANISOU 1172 N LYS A 189 5878 6699 5245 -312 -334 551 N ATOM 1173 CA LYS A 189 58.771 43.111 44.502 1.00 49.81 C ANISOU 1173 CA LYS A 189 6207 7230 5487 -190 -528 548 C ATOM 1174 C LYS A 189 58.109 42.097 45.445 1.00 48.62 C ANISOU 1174 C LYS A 189 5878 7116 5478 -302 -628 386 C ATOM 1175 O LYS A 189 57.019 42.355 45.972 1.00 49.42 O ANISOU 1175 O LYS A 189 5887 7247 5643 -266 -715 355 O ATOM 1176 CB LYS A 189 58.687 42.589 43.059 1.00 54.18 C ANISOU 1176 CB LYS A 189 6805 8024 5754 -73 -598 512 C ATOM 1177 CG LYS A 189 57.281 42.609 42.482 1.00 58.15 C ANISOU 1177 CG LYS A 189 7169 8898 6027 129 -811 421 C ATOM 1178 CD LYS A 189 56.965 41.388 41.639 1.00 61.61 C ANISOU 1178 CD LYS A 189 7405 9695 6306 62 -933 9 C ATOM 1179 CE LYS A 189 55.524 41.446 41.149 1.00 66.71 C ANISOU 1179 CE LYS A 189 7775 10871 6700 266 -1175 -235 C ATOM 1180 NZ LYS A 189 55.151 40.227 40.382 1.00 71.51 N ANISOU 1180 NZ LYS A 189 8043 11896 7231 120 -1249 -878 N ATOM 0 H LYS A 189 60.707 43.332 44.219 1.00 46.91 H new ATOM 0 HA LYS A 189 58.295 43.953 44.572 1.00 49.81 H new ATOM 0 HB2 LYS A 189 59.267 43.125 42.496 1.00 54.18 H new ATOM 0 HB3 LYS A 189 59.026 41.681 43.032 1.00 54.18 H new ATOM 0 HG2 LYS A 189 56.640 42.668 43.208 1.00 58.15 H new ATOM 0 HG3 LYS A 189 57.171 43.406 41.941 1.00 58.15 H new ATOM 0 HD2 LYS A 189 57.570 41.344 40.882 1.00 61.61 H new ATOM 0 HD3 LYS A 189 57.104 40.582 42.160 1.00 61.61 H new ATOM 0 HE2 LYS A 189 54.928 41.545 41.908 1.00 66.71 H new ATOM 0 HE3 LYS A 189 55.404 42.229 40.590 1.00 66.71 H new ATOM 0 HZ1 LYS A 189 54.306 40.293 40.111 1.00 71.51 H new ATOM 0 HZ2 LYS A 189 55.684 40.147 39.673 1.00 71.51 H new ATOM 0 HZ3 LYS A 189 55.240 39.510 40.902 1.00 71.51 H new ATOM 1181 N ARG A 190 58.762 40.958 45.652 1.00 46.95 N ANISOU 1181 N ARG A 190 5618 6860 5358 -400 -533 329 N ATOM 1182 CA ARG A 190 58.167 39.873 46.419 1.00 46.95 C ANISOU 1182 CA ARG A 190 5467 6797 5575 -437 -441 269 C ATOM 1183 C ARG A 190 58.092 40.193 47.901 1.00 45.72 C ANISOU 1183 C ARG A 190 5236 6674 5459 -368 -403 423 C ATOM 1184 O ARG A 190 57.103 39.883 48.549 1.00 46.80 O ANISOU 1184 O ARG A 190 5275 6770 5734 -348 -358 412 O ATOM 1185 CB ARG A 190 58.942 38.577 46.225 1.00 48.69 C ANISOU 1185 CB ARG A 190 5654 6887 5959 -481 -199 265 C ATOM 1186 CG ARG A 190 58.313 37.351 46.885 1.00 51.89 C ANISOU 1186 CG ARG A 190 5903 7078 6735 -479 111 258 C ATOM 1187 CD ARG A 190 57.014 36.936 46.217 1.00 55.81 C ANISOU 1187 CD ARG A 190 6238 7526 7440 -639 124 -175 C ATOM 1188 NE ARG A 190 56.350 35.872 46.967 1.00 58.98 N ANISOU 1188 NE ARG A 190 6470 7595 8342 -664 564 -204 N ATOM 1189 CZ ARG A 190 55.086 35.896 47.410 1.00 62.47 C ANISOU 1189 CZ ARG A 190 6766 7981 8989 -710 604 -381 C ATOM 1190 NH1 ARG A 190 54.251 36.924 47.178 1.00 61.51 N ANISOU 1190 NH1 ARG A 190 6618 8167 8585 -719 173 -558 N ATOM 1191 NH2 ARG A 190 54.626 34.844 48.086 1.00 66.23 N ANISOU 1191 NH2 ARG A 190 7102 8043 10019 -719 1170 -358 N ATOM 0 H ARG A 190 59.553 40.795 45.355 1.00 46.95 H new ATOM 0 HA ARG A 190 57.263 39.764 46.084 1.00 46.95 H new ATOM 0 HB2 ARG A 190 59.031 38.407 45.274 1.00 48.69 H new ATOM 0 HB3 ARG A 190 59.838 38.695 46.577 1.00 48.69 H new ATOM 0 HG2 ARG A 190 58.941 36.612 46.853 1.00 51.89 H new ATOM 0 HG3 ARG A 190 58.146 37.541 47.821 1.00 51.89 H new ATOM 0 HD2 ARG A 190 56.424 37.703 46.147 1.00 55.81 H new ATOM 0 HD3 ARG A 190 57.194 36.634 45.313 1.00 55.81 H new ATOM 0 HE ARG A 190 56.812 35.167 47.139 1.00 58.98 H new ATOM 0 HH11 ARG A 190 54.522 37.605 46.728 1.00 61.51 H new ATOM 0 HH12 ARG A 190 53.446 36.901 47.480 1.00 61.51 H new ATOM 0 HH21 ARG A 190 55.138 34.168 48.230 1.00 66.23 H new ATOM 0 HH22 ARG A 190 53.817 34.841 48.378 1.00 66.23 H new ATOM 1192 N LEU A 191 59.134 40.798 48.444 1.00 44.94 N ANISOU 1192 N LEU A 191 5128 6711 5234 -333 -397 495 N ATOM 1193 CA LEU A 191 59.156 41.119 49.869 1.00 44.86 C ANISOU 1193 CA LEU A 191 4950 6944 5149 -239 -380 531 C ATOM 1194 C LEU A 191 58.147 42.214 50.217 1.00 44.52 C ANISOU 1194 C LEU A 191 4886 6877 5151 -303 -484 403 C ATOM 1195 O LEU A 191 57.599 42.189 51.312 1.00 44.55 O ANISOU 1195 O LEU A 191 4756 7039 5130 -231 -464 418 O ATOM 1196 CB LEU A 191 60.567 41.496 50.309 1.00 46.26 C ANISOU 1196 CB LEU A 191 4986 7431 5159 -205 -356 448 C ATOM 1197 CG LEU A 191 61.613 40.373 50.171 1.00 47.43 C ANISOU 1197 CG LEU A 191 5102 7674 5246 -59 -233 632 C ATOM 1198 CD1 LEU A 191 63.014 40.905 50.430 1.00 49.09 C ANISOU 1198 CD1 LEU A 191 5107 8255 5288 -51 -251 426 C ATOM 1199 CD2 LEU A 191 61.304 39.207 51.093 1.00 49.68 C ANISOU 1199 CD2 LEU A 191 5281 8093 5500 244 -43 979 C ATOM 0 H LEU A 191 59.839 41.033 48.011 1.00 44.94 H new ATOM 0 HA LEU A 191 58.889 40.326 50.359 1.00 44.86 H new ATOM 0 HB2 LEU A 191 60.861 42.259 49.788 1.00 46.26 H new ATOM 0 HB3 LEU A 191 60.537 41.780 51.236 1.00 46.26 H new ATOM 0 HG LEU A 191 61.572 40.046 49.259 1.00 47.43 H new ATOM 0 HD11 LEU A 191 63.656 40.184 50.338 1.00 49.09 H new ATOM 0 HD12 LEU A 191 63.219 41.603 49.789 1.00 49.09 H new ATOM 0 HD13 LEU A 191 63.062 41.268 51.328 1.00 49.09 H new ATOM 0 HD21 LEU A 191 61.979 38.519 50.982 1.00 49.68 H new ATOM 0 HD22 LEU A 191 61.303 39.513 52.013 1.00 49.68 H new ATOM 0 HD23 LEU A 191 60.432 38.843 50.873 1.00 49.68 H new ATOM 1200 N ARG A 192 57.898 43.150 49.287 1.00 44.43 N ANISOU 1200 N ARG A 192 5002 6674 5202 -378 -535 336 N ATOM 1201 CA ARG A 192 56.820 44.140 49.435 1.00 44.81 C ANISOU 1201 CA ARG A 192 5040 6626 5356 -374 -569 294 C ATOM 1202 C ARG A 192 55.469 43.431 49.544 1.00 45.60 C ANISOU 1202 C ARG A 192 5097 6724 5502 -326 -675 314 C ATOM 1203 O ARG A 192 54.688 43.732 50.438 1.00 45.17 O ANISOU 1203 O ARG A 192 4939 6693 5531 -327 -675 269 O ATOM 1204 CB ARG A 192 56.787 45.130 48.262 1.00 45.59 C ANISOU 1204 CB ARG A 192 5295 6529 5496 -308 -500 389 C ATOM 1205 CG ARG A 192 55.675 46.167 48.349 1.00 46.40 C ANISOU 1205 CG ARG A 192 5378 6510 5740 -207 -459 446 C ATOM 1206 CD ARG A 192 55.671 47.151 47.188 1.00 49.41 C ANISOU 1206 CD ARG A 192 5917 6712 6144 19 -263 714 C ATOM 1207 NE ARG A 192 56.775 48.120 47.212 1.00 51.22 N ANISOU 1207 NE ARG A 192 6188 6623 6650 -74 154 688 N ATOM 1208 CZ ARG A 192 56.872 49.178 48.024 1.00 53.50 C ANISOU 1208 CZ ARG A 192 6338 6643 7346 -220 492 484 C ATOM 1209 NH1 ARG A 192 55.937 49.465 48.940 1.00 54.50 N ANISOU 1209 NH1 ARG A 192 6307 6797 7600 -268 428 343 N ATOM 1210 NH2 ARG A 192 57.939 49.955 47.939 1.00 55.79 N ANISOU 1210 NH2 ARG A 192 6599 6621 7977 -358 956 331 N ATOM 0 H ARG A 192 58.347 43.227 48.558 1.00 44.43 H new ATOM 0 HA ARG A 192 56.996 44.643 50.246 1.00 44.81 H new ATOM 0 HB2 ARG A 192 57.640 45.589 48.216 1.00 45.59 H new ATOM 0 HB3 ARG A 192 56.687 44.633 47.435 1.00 45.59 H new ATOM 0 HG2 ARG A 192 54.819 45.711 48.380 1.00 46.40 H new ATOM 0 HG3 ARG A 192 55.765 46.659 49.180 1.00 46.40 H new ATOM 0 HD2 ARG A 192 55.709 46.654 46.356 1.00 49.41 H new ATOM 0 HD3 ARG A 192 54.830 47.635 47.191 1.00 49.41 H new ATOM 0 HE ARG A 192 57.417 47.996 46.653 1.00 51.22 H new ATOM 0 HH11 ARG A 192 55.245 48.961 49.021 1.00 54.50 H new ATOM 0 HH12 ARG A 192 56.029 50.153 49.447 1.00 54.50 H new ATOM 0 HH21 ARG A 192 58.557 49.776 47.368 1.00 55.79 H new ATOM 0 HH22 ARG A 192 58.015 50.639 48.455 1.00 55.79 H new ATOM 1211 N GLU A 193 55.204 42.500 48.634 1.00 46.12 N ANISOU 1211 N GLU A 193 5194 6774 5556 -315 -724 293 N ATOM 1212 CA GLU A 193 53.980 41.714 48.683 1.00 48.16 C ANISOU 1212 CA GLU A 193 5314 7014 5967 -334 -736 146 C ATOM 1213 C GLU A 193 53.804 40.999 50.039 1.00 47.86 C ANISOU 1213 C GLU A 193 5185 6894 6106 -341 -521 225 C ATOM 1214 O GLU A 193 52.738 41.069 50.659 1.00 48.41 O ANISOU 1214 O GLU A 193 5151 6921 6319 -342 -493 163 O ATOM 1215 CB GLU A 193 53.950 40.705 47.539 1.00 50.95 C ANISOU 1215 CB GLU A 193 5610 7404 6343 -389 -724 -67 C ATOM 1216 CG GLU A 193 53.766 41.365 46.183 1.00 54.41 C ANISOU 1216 CG GLU A 193 6069 8118 6486 -264 -949 -142 C ATOM 1217 CD GLU A 193 53.895 40.406 45.011 1.00 57.65 C ANISOU 1217 CD GLU A 193 6360 8723 6818 -323 -951 -464 C ATOM 1218 OE1 GLU A 193 54.436 39.294 45.214 1.00 57.64 O ANISOU 1218 OE1 GLU A 193 6328 8492 7080 -502 -708 -575 O ATOM 1219 OE2 GLU A 193 53.446 40.775 43.891 1.00 60.99 O ANISOU 1219 OE2 GLU A 193 6687 9583 6903 -144 -1158 -602 O ATOM 0 H GLU A 193 55.724 42.308 47.977 1.00 46.12 H new ATOM 0 HA GLU A 193 53.236 42.329 48.583 1.00 48.16 H new ATOM 0 HB2 GLU A 193 54.776 40.197 47.538 1.00 50.95 H new ATOM 0 HB3 GLU A 193 53.229 40.073 47.688 1.00 50.95 H new ATOM 0 HG2 GLU A 193 52.892 41.784 46.153 1.00 54.41 H new ATOM 0 HG3 GLU A 193 54.423 42.072 46.085 1.00 54.41 H new ATOM 1220 N LEU A 194 54.858 40.346 50.510 1.00 46.43 N ANISOU 1220 N LEU A 194 5029 6731 5880 -279 -336 414 N ATOM 1221 CA LEU A 194 54.786 39.612 51.766 1.00 47.59 C ANISOU 1221 CA LEU A 194 5087 6894 6099 -124 -49 643 C ATOM 1222 C LEU A 194 54.460 40.537 52.928 1.00 47.58 C ANISOU 1222 C LEU A 194 5008 7155 5914 -49 -142 666 C ATOM 1223 O LEU A 194 53.643 40.188 53.775 1.00 48.94 O ANISOU 1223 O LEU A 194 5105 7295 6195 41 45 763 O ATOM 1224 CB LEU A 194 56.085 38.856 52.039 1.00 47.62 C ANISOU 1224 CB LEU A 194 5094 7015 5983 65 160 928 C ATOM 1225 CG LEU A 194 56.351 37.693 51.078 1.00 48.47 C ANISOU 1225 CG LEU A 194 5241 6780 6393 -3 410 911 C ATOM 1226 CD1 LEU A 194 57.787 37.226 51.225 1.00 48.66 C ANISOU 1226 CD1 LEU A 194 5272 6962 6252 203 548 1201 C ATOM 1227 CD2 LEU A 194 55.374 36.549 51.315 1.00 51.07 C ANISOU 1227 CD2 LEU A 194 5475 6703 7224 0 890 927 C ATOM 0 H LEU A 194 55.623 40.315 50.119 1.00 46.43 H new ATOM 0 HA LEU A 194 54.068 38.965 51.682 1.00 47.59 H new ATOM 0 HB2 LEU A 194 56.826 39.479 51.989 1.00 47.62 H new ATOM 0 HB3 LEU A 194 56.063 38.514 52.946 1.00 47.62 H new ATOM 0 HG LEU A 194 56.215 38.003 50.169 1.00 48.47 H new ATOM 0 HD11 LEU A 194 57.952 36.490 50.615 1.00 48.66 H new ATOM 0 HD12 LEU A 194 58.388 37.958 51.017 1.00 48.66 H new ATOM 0 HD13 LEU A 194 57.940 36.931 52.136 1.00 48.66 H new ATOM 0 HD21 LEU A 194 55.564 35.827 50.695 1.00 51.07 H new ATOM 0 HD22 LEU A 194 55.468 36.226 52.225 1.00 51.07 H new ATOM 0 HD23 LEU A 194 54.467 36.864 51.176 1.00 51.07 H new ATOM 1228 N SER A 195 55.077 41.719 52.933 1.00 46.43 N ANISOU 1228 N SER A 195 4854 7229 5557 -112 -357 521 N ATOM 1229 CA ASER A 195 54.843 42.695 53.992 0.50 47.51 C ANISOU 1229 CA ASER A 195 4843 7634 5573 -109 -401 381 C ATOM 1230 CA BSER A 195 54.856 42.716 53.971 0.50 46.59 C ANISOU 1230 CA BSER A 195 4728 7515 5457 -113 -405 376 C ATOM 1231 C SER A 195 53.396 43.169 54.032 1.00 46.92 C ANISOU 1231 C SER A 195 4775 7321 5728 -200 -443 280 C ATOM 1232 O SER A 195 52.856 43.420 55.122 1.00 48.39 O ANISOU 1232 O SER A 195 4832 7681 5872 -152 -377 240 O ATOM 1233 CB ASER A 195 55.750 43.912 53.846 0.50 48.57 C ANISOU 1233 CB ASER A 195 4907 7910 5636 -244 -482 98 C ATOM 1234 CB BSER A 195 55.766 43.929 53.744 0.50 46.53 C ANISOU 1234 CB BSER A 195 4664 7624 5391 -254 -486 98 C ATOM 1235 OG ASER A 195 55.498 44.834 54.903 0.50 51.14 O ANISOU 1235 OG ASER A 195 5007 8500 5921 -296 -452 -183 O ATOM 1236 OG BSER A 195 55.420 44.647 52.572 0.50 44.36 O ANISOU 1236 OG BSER A 195 4560 6948 5345 -380 -534 57 O ATOM 0 H ASER A 195 55.635 41.973 52.330 0.50 46.43 H new ATOM 0 H BSER A 195 55.638 41.963 52.329 0.50 46.43 H new ATOM 0 HA ASER A 195 55.046 42.236 54.822 0.50 46.59 H new ATOM 0 HA BSER A 195 55.072 42.300 54.820 0.50 46.59 H new ATOM 0 HB2ASER A 195 56.680 43.636 53.862 0.50 46.53 H new ATOM 0 HB2BSER A 195 55.711 44.520 54.511 0.50 46.53 H new ATOM 0 HB3ASER A 195 55.595 44.340 52.989 0.50 46.53 H new ATOM 0 HB3BSER A 195 56.687 43.632 53.679 0.50 46.53 H new ATOM 0 HG ASER A 195 55.751 44.501 55.632 0.50 44.36 H new ATOM 0 HG BSER A 195 55.148 44.111 51.985 0.50 44.36 H new ATOM 1237 N PHE A 196 52.764 43.301 52.866 1.00 45.26 N ANISOU 1237 N PHE A 196 4673 6813 5708 -285 -556 224 N ATOM 1238 CA PHE A 196 51.362 43.715 52.842 1.00 45.58 C ANISOU 1238 CA PHE A 196 4658 6715 5945 -311 -618 119 C ATOM 1239 C PHE A 196 50.374 42.569 53.034 1.00 47.07 C ANISOU 1239 C PHE A 196 4760 6779 6345 -311 -487 93 C ATOM 1240 O PHE A 196 49.255 42.786 53.496 1.00 48.20 O ANISOU 1240 O PHE A 196 4797 6858 6658 -329 -465 -8 O ATOM 1241 CB PHE A 196 51.013 44.718 51.704 1.00 44.94 C ANISOU 1241 CB PHE A 196 4634 6540 5898 -281 -774 83 C ATOM 1242 CG PHE A 196 51.095 44.215 50.261 1.00 43.89 C ANISOU 1242 CG PHE A 196 4561 6451 5663 -211 -900 92 C ATOM 1243 CD1 PHE A 196 50.421 43.080 49.816 1.00 44.51 C ANISOU 1243 CD1 PHE A 196 4510 6583 5818 -247 -935 -101 C ATOM 1244 CD2 PHE A 196 51.711 45.023 49.296 1.00 44.02 C ANISOU 1244 CD2 PHE A 196 4710 6476 5539 -94 -922 236 C ATOM 1245 CE1 PHE A 196 50.429 42.711 48.467 1.00 45.70 C ANISOU 1245 CE1 PHE A 196 4615 6929 5818 -187 -1069 -242 C ATOM 1246 CE2 PHE A 196 51.727 44.655 47.952 1.00 45.41 C ANISOU 1246 CE2 PHE A 196 4909 6835 5508 39 -1047 245 C ATOM 1247 CZ PHE A 196 51.081 43.497 47.537 1.00 46.04 C ANISOU 1247 CZ PHE A 196 4810 7104 5579 -14 -1162 -41 C ATOM 0 H PHE A 196 53.119 43.160 52.095 1.00 45.26 H new ATOM 0 HA PHE A 196 51.243 44.247 53.645 1.00 45.58 H new ATOM 0 HB2 PHE A 196 50.111 45.040 51.857 1.00 44.94 H new ATOM 0 HB3 PHE A 196 51.605 45.482 51.788 1.00 44.94 H new ATOM 0 HD1 PHE A 196 49.956 42.557 50.429 1.00 44.51 H new ATOM 0 HD2 PHE A 196 52.116 45.818 49.557 1.00 44.02 H new ATOM 0 HE1 PHE A 196 49.994 41.935 48.196 1.00 45.70 H new ATOM 0 HE2 PHE A 196 52.171 45.186 47.331 1.00 45.41 H new ATOM 0 HZ PHE A 196 51.088 43.253 46.640 1.00 46.04 H new ATOM 1248 N LEU A 197 50.813 41.355 52.718 1.00 49.61 N ANISOU 1248 N LEU A 197 5100 7009 6738 -304 -312 157 N ATOM 1249 CA LEU A 197 50.049 40.134 53.010 1.00 52.02 C ANISOU 1249 CA LEU A 197 5291 7063 7409 -323 39 114 C ATOM 1250 C LEU A 197 50.168 39.673 54.465 1.00 53.07 C ANISOU 1250 C LEU A 197 5423 7211 7529 -125 414 469 C ATOM 1251 O LEU A 197 49.407 38.811 54.889 1.00 55.09 O ANISOU 1251 O LEU A 197 5593 7175 8162 -102 836 504 O ATOM 1252 CB LEU A 197 50.528 38.998 52.107 1.00 53.78 C ANISOU 1252 CB LEU A 197 5500 7104 7827 -392 234 23 C ATOM 1253 CG LEU A 197 50.299 39.212 50.607 1.00 54.90 C ANISOU 1253 CG LEU A 197 5565 7370 7922 -533 -84 -384 C ATOM 1254 CD1 LEU A 197 51.081 38.170 49.812 1.00 56.64 C ANISOU 1254 CD1 LEU A 197 5778 7474 8266 -611 121 -486 C ATOM 1255 CD2 LEU A 197 48.816 39.190 50.247 1.00 57.35 C ANISOU 1255 CD2 LEU A 197 5593 7715 8483 -644 -148 -860 C ATOM 0 H LEU A 197 51.565 41.210 52.326 1.00 49.61 H new ATOM 0 HA LEU A 197 49.118 40.352 52.846 1.00 52.02 H new ATOM 0 HB2 LEU A 197 51.477 38.863 52.258 1.00 53.78 H new ATOM 0 HB3 LEU A 197 50.079 38.181 52.374 1.00 53.78 H new ATOM 0 HG LEU A 197 50.626 40.095 50.373 1.00 54.90 H new ATOM 0 HD11 LEU A 197 50.933 38.309 48.863 1.00 56.64 H new ATOM 0 HD12 LEU A 197 52.027 38.256 50.008 1.00 56.64 H new ATOM 0 HD13 LEU A 197 50.780 37.282 50.059 1.00 56.64 H new ATOM 0 HD21 LEU A 197 48.712 39.328 49.293 1.00 57.35 H new ATOM 0 HD22 LEU A 197 48.436 38.332 50.492 1.00 57.35 H new ATOM 0 HD23 LEU A 197 48.356 39.896 50.727 1.00 57.35 H new ATOM 1256 N ASN A 198 51.136 40.219 55.206 1.00 57.73 N ANISOU 1256 N ASN A 198 5578 8595 7759 547 527 888 N ATOM 1257 CA ASN A 198 51.371 39.873 56.615 1.00 57.51 C ANISOU 1257 CA ASN A 198 5744 8408 7697 653 806 836 C ATOM 1258 C ASN A 198 51.535 41.175 57.417 1.00 57.39 C ANISOU 1258 C ASN A 198 5837 8301 7665 910 909 804 C ATOM 1259 O ASN A 198 52.573 41.427 58.003 1.00 54.72 O ANISOU 1259 O ASN A 198 5761 7908 7121 951 942 692 O ATOM 1260 CB ASN A 198 52.631 38.985 56.715 1.00 55.74 C ANISOU 1260 CB ASN A 198 5784 8085 7309 537 817 774 C ATOM 1261 CG ASN A 198 52.485 37.658 55.970 1.00 56.28 C ANISOU 1261 CG ASN A 198 5734 8131 7519 253 846 709 C ATOM 1262 OD1 ASN A 198 51.987 36.679 56.527 1.00 59.32 O ANISOU 1262 OD1 ASN A 198 6023 8431 8083 183 1097 753 O ATOM 1263 ND2 ASN A 198 52.917 37.622 54.713 1.00 54.91 N ANISOU 1263 ND2 ASN A 198 5547 8031 7284 61 639 577 N ATOM 0 H ASN A 198 51.683 40.809 54.901 1.00 57.73 H new ATOM 0 HA ASN A 198 50.623 39.375 56.980 1.00 57.51 H new ATOM 0 HB2 ASN A 198 53.392 39.469 56.357 1.00 55.74 H new ATOM 0 HB3 ASN A 198 52.822 38.807 57.649 1.00 55.74 H new ATOM 0 HD21 ASN A 198 52.854 36.895 54.257 1.00 54.91 H new ATOM 0 HD22 ASN A 198 53.260 38.325 54.356 1.00 54.91 H new ATOM 1264 N SER A 199 50.496 42.003 57.412 1.00 61.46 N ANISOU 1264 N SER A 199 6103 8808 8439 1062 986 879 N ATOM 1265 CA SER A 199 50.543 43.375 57.963 1.00 64.09 C ANISOU 1265 CA SER A 199 6471 8954 8923 1287 1161 789 C ATOM 1266 C SER A 199 51.023 43.359 59.416 1.00 64.57 C ANISOU 1266 C SER A 199 6770 9026 8735 1296 1437 516 C ATOM 1267 O SER A 199 50.663 42.463 60.181 1.00 64.91 O ANISOU 1267 O SER A 199 6803 9237 8621 1236 1586 533 O ATOM 1268 CB SER A 199 49.153 44.044 57.864 1.00 68.88 C ANISOU 1268 CB SER A 199 6688 9517 9966 1471 1306 958 C ATOM 1269 OG SER A 199 49.150 45.417 58.249 1.00 71.97 O ANISOU 1269 OG SER A 199 7059 9612 10675 1695 1557 866 O ATOM 0 H SER A 199 49.729 41.790 57.086 1.00 61.46 H new ATOM 0 HA SER A 199 51.174 43.892 57.438 1.00 64.09 H new ATOM 0 HB2 SER A 199 48.832 43.971 56.952 1.00 68.88 H new ATOM 0 HB3 SER A 199 48.528 43.558 58.424 1.00 68.88 H new ATOM 0 HG SER A 199 49.916 45.742 58.135 1.00 71.97 H new ATOM 1270 N GLY A 200 51.850 44.342 59.773 1.00 64.77 N ANISOU 1270 N GLY A 200 6975 8923 8708 1341 1513 274 N ATOM 1271 CA GLY A 200 52.568 44.360 61.051 1.00 64.64 C ANISOU 1271 CA GLY A 200 7171 9084 8304 1267 1698 -35 C ATOM 1272 C GLY A 200 54.034 43.933 60.948 1.00 61.66 C ANISOU 1272 C GLY A 200 7039 8841 7548 1131 1451 -50 C ATOM 1273 O GLY A 200 54.860 44.400 61.733 1.00 63.40 O ANISOU 1273 O GLY A 200 7393 9211 7482 1057 1532 -342 O ATOM 0 H GLY A 200 52.012 45.025 59.276 1.00 64.77 H new ATOM 0 HA2 GLY A 200 52.527 45.255 61.422 1.00 64.64 H new ATOM 0 HA3 GLY A 200 52.113 43.773 61.675 1.00 64.64 H new ATOM 1274 N VAL A 201 54.375 43.037 60.015 1.00 57.27 N ANISOU 1274 N VAL A 201 6505 8267 6985 1069 1178 220 N ATOM 1275 CA VAL A 201 55.777 42.604 59.871 1.00 54.64 C ANISOU 1275 CA VAL A 201 6362 8018 6378 968 982 234 C ATOM 1276 C VAL A 201 56.582 43.705 59.159 1.00 52.68 C ANISOU 1276 C VAL A 201 6208 7566 6240 960 850 76 C ATOM 1277 O VAL A 201 56.092 44.375 58.264 1.00 54.99 O ANISOU 1277 O VAL A 201 6402 7631 6859 1028 809 147 O ATOM 1278 CB VAL A 201 55.922 41.230 59.164 1.00 52.88 C ANISOU 1278 CB VAL A 201 6119 7785 6186 883 844 504 C ATOM 1279 CG1 VAL A 201 55.632 41.323 57.667 1.00 53.42 C ANISOU 1279 CG1 VAL A 201 6106 7686 6505 824 654 556 C ATOM 1280 CG2 VAL A 201 57.319 40.673 59.358 1.00 51.91 C ANISOU 1280 CG2 VAL A 201 6137 7759 5824 827 749 566 C ATOM 0 H VAL A 201 53.824 42.672 59.464 1.00 57.27 H new ATOM 0 HA VAL A 201 56.139 42.470 60.761 1.00 54.64 H new ATOM 0 HB VAL A 201 55.269 40.638 59.570 1.00 52.88 H new ATOM 0 HG11 VAL A 201 55.733 40.447 57.263 1.00 53.42 H new ATOM 0 HG12 VAL A 201 54.725 41.639 57.532 1.00 53.42 H new ATOM 0 HG13 VAL A 201 56.254 41.943 57.255 1.00 53.42 H new ATOM 0 HG21 VAL A 201 57.391 39.816 58.910 1.00 51.91 H new ATOM 0 HG22 VAL A 201 57.968 41.289 58.983 1.00 51.91 H new ATOM 0 HG23 VAL A 201 57.493 40.558 60.305 1.00 51.91 H new ATOM 1281 N SER A 202 57.801 43.919 59.606 1.00 50.55 N ANISOU 1281 N SER A 202 6084 7415 5705 879 802 -97 N ATOM 1282 CA SER A 202 58.696 44.836 58.968 1.00 49.38 C ANISOU 1282 CA SER A 202 6021 7066 5672 837 701 -241 C ATOM 1283 C SER A 202 59.654 43.958 58.157 1.00 47.63 C ANISOU 1283 C SER A 202 5878 6885 5334 762 447 -29 C ATOM 1284 O SER A 202 60.207 42.973 58.675 1.00 47.49 O ANISOU 1284 O SER A 202 5882 7102 5059 723 408 77 O ATOM 1285 CB SER A 202 59.409 45.678 60.012 1.00 50.94 C ANISOU 1285 CB SER A 202 6281 7400 5674 738 847 -663 C ATOM 1286 OG SER A 202 60.515 46.336 59.456 1.00 51.20 O ANISOU 1286 OG SER A 202 6393 7271 5786 649 740 -793 O ATOM 0 H SER A 202 58.131 43.528 60.297 1.00 50.55 H new ATOM 0 HA SER A 202 58.245 45.469 58.388 1.00 49.38 H new ATOM 0 HB2 SER A 202 58.793 46.330 60.383 1.00 50.94 H new ATOM 0 HB3 SER A 202 59.699 45.113 60.745 1.00 50.94 H new ATOM 0 HG SER A 202 60.251 46.981 58.988 1.00 51.20 H new ATOM 1287 N ILE A 203 59.801 44.269 56.869 1.00 46.53 N ANISOU 1287 N ILE A 203 5740 6530 5407 751 311 78 N ATOM 1288 CA ILE A 203 60.757 43.573 56.024 1.00 44.35 C ANISOU 1288 CA ILE A 203 5533 6272 5042 651 132 189 C ATOM 1289 C ILE A 203 61.695 44.603 55.421 1.00 44.21 C ANISOU 1289 C ILE A 203 5590 6098 5107 609 66 98 C ATOM 1290 O ILE A 203 61.246 45.573 54.825 1.00 44.94 O ANISOU 1290 O ILE A 203 5626 6001 5448 667 98 159 O ATOM 1291 CB ILE A 203 60.084 42.730 54.935 1.00 44.24 C ANISOU 1291 CB ILE A 203 5426 6264 5117 593 53 377 C ATOM 1292 CG1 ILE A 203 59.043 41.786 55.560 1.00 45.08 C ANISOU 1292 CG1 ILE A 203 5425 6461 5241 615 177 445 C ATOM 1293 CG2 ILE A 203 61.134 41.896 54.205 1.00 43.01 C ANISOU 1293 CG2 ILE A 203 5339 6116 4885 457 -30 385 C ATOM 1294 CD1 ILE A 203 58.392 40.840 54.571 1.00 45.22 C ANISOU 1294 CD1 ILE A 203 5311 6513 5355 473 140 515 C ATOM 0 H ILE A 203 59.352 44.883 56.468 1.00 46.53 H new ATOM 0 HA ILE A 203 61.254 42.943 56.570 1.00 44.35 H new ATOM 0 HB ILE A 203 59.644 43.327 54.310 1.00 44.24 H new ATOM 0 HG12 ILE A 203 59.471 41.265 56.257 1.00 45.08 H new ATOM 0 HG13 ILE A 203 58.353 42.318 55.986 1.00 45.08 H new ATOM 0 HG21 ILE A 203 60.704 41.364 53.517 1.00 43.01 H new ATOM 0 HG22 ILE A 203 61.788 42.484 53.797 1.00 43.01 H new ATOM 0 HG23 ILE A 203 61.578 41.309 54.837 1.00 43.01 H new ATOM 0 HD11 ILE A 203 57.751 40.279 55.034 1.00 45.22 H new ATOM 0 HD12 ILE A 203 57.936 41.352 53.885 1.00 45.22 H new ATOM 0 HD13 ILE A 203 59.072 40.283 54.160 1.00 45.22 H new ATOM 1295 N ARG A 204 62.999 44.388 55.613 1.00 43.43 N ANISOU 1295 N ARG A 204 5577 6082 4842 522 0 7 N ATOM 1296 CA ARG A 204 64.037 45.281 55.108 1.00 42.82 C ANISOU 1296 CA ARG A 204 5558 5863 4848 447 -41 -98 C ATOM 1297 C ARG A 204 64.860 44.523 54.107 1.00 39.40 C ANISOU 1297 C ARG A 204 5156 5453 4359 366 -169 45 C ATOM 1298 O ARG A 204 65.285 43.410 54.384 1.00 38.70 O ANISOU 1298 O ARG A 204 5056 5505 4142 350 -190 101 O ATOM 1299 CB ARG A 204 64.938 45.778 56.228 1.00 45.10 C ANISOU 1299 CB ARG A 204 5862 6290 4983 364 6 -404 C ATOM 1300 CG ARG A 204 64.267 46.739 57.188 1.00 48.89 C ANISOU 1300 CG ARG A 204 6307 6730 5536 370 216 -709 C ATOM 1301 CD ARG A 204 65.230 47.194 58.275 1.00 52.28 C ANISOU 1301 CD ARG A 204 6713 7436 5715 185 259 -1119 C ATOM 1302 NE ARG A 204 64.526 48.022 59.251 1.00 57.38 N ANISOU 1302 NE ARG A 204 7315 8085 6402 136 532 -1524 N ATOM 1303 CZ ARG A 204 64.215 49.308 59.087 1.00 59.65 C ANISOU 1303 CZ ARG A 204 7588 7920 7154 112 807 -1816 C ATOM 1304 NH1 ARG A 204 64.563 49.975 57.980 1.00 59.09 N ANISOU 1304 NH1 ARG A 204 7539 7382 7529 144 820 -1669 N ATOM 1305 NH2 ARG A 204 63.543 49.932 60.047 1.00 63.00 N ANISOU 1305 NH2 ARG A 204 7952 8347 7635 56 1124 -2241 N ATOM 0 H ARG A 204 63.306 43.711 56.045 1.00 43.43 H new ATOM 0 HA ARG A 204 63.617 46.055 54.701 1.00 42.82 H new ATOM 0 HB2 ARG A 204 65.266 45.014 56.728 1.00 45.10 H new ATOM 0 HB3 ARG A 204 65.711 46.215 55.837 1.00 45.10 H new ATOM 0 HG2 ARG A 204 63.938 47.510 56.700 1.00 48.89 H new ATOM 0 HG3 ARG A 204 63.497 46.310 57.593 1.00 48.89 H new ATOM 0 HD2 ARG A 204 65.620 46.423 58.715 1.00 52.28 H new ATOM 0 HD3 ARG A 204 65.961 47.696 57.881 1.00 52.28 H new ATOM 0 HE ARG A 204 64.293 47.650 59.991 1.00 57.38 H new ATOM 0 HH11 ARG A 204 64.997 49.574 57.355 1.00 59.09 H new ATOM 0 HH12 ARG A 204 64.353 50.804 57.894 1.00 59.09 H new ATOM 0 HH21 ARG A 204 63.316 49.507 60.759 1.00 63.00 H new ATOM 0 HH22 ARG A 204 63.335 50.761 59.957 1.00 63.00 H new ATOM 1306 N LEU A 205 65.051 45.125 52.931 1.00 39.00 N ANISOU 1306 N LEU A 205 5117 5262 4439 321 -208 137 N ATOM 1307 CA LEU A 205 65.937 44.609 51.904 1.00 36.70 C ANISOU 1307 CA LEU A 205 4855 5009 4080 204 -279 201 C ATOM 1308 C LEU A 205 67.151 45.539 51.793 1.00 36.85 C ANISOU 1308 C LEU A 205 4916 4903 4180 140 -266 107 C ATOM 1309 O LEU A 205 67.002 46.764 51.802 1.00 36.62 O ANISOU 1309 O LEU A 205 4879 4679 4355 169 -191 95 O ATOM 1310 CB LEU A 205 65.188 44.473 50.588 1.00 37.11 C ANISOU 1310 CB LEU A 205 4843 5146 4110 149 -329 394 C ATOM 1311 CG LEU A 205 65.995 43.879 49.431 1.00 37.05 C ANISOU 1311 CG LEU A 205 4853 5252 3973 -30 -350 383 C ATOM 1312 CD1 LEU A 205 66.437 42.448 49.732 1.00 36.25 C ANISOU 1312 CD1 LEU A 205 4761 5160 3850 -95 -268 218 C ATOM 1313 CD2 LEU A 205 65.189 43.957 48.149 1.00 38.90 C ANISOU 1313 CD2 LEU A 205 4974 5740 4066 -136 -421 563 C ATOM 0 H LEU A 205 64.659 45.858 52.710 1.00 39.00 H new ATOM 0 HA LEU A 205 66.253 43.722 52.138 1.00 36.70 H new ATOM 0 HB2 LEU A 205 64.406 43.919 50.735 1.00 37.11 H new ATOM 0 HB3 LEU A 205 64.869 45.350 50.323 1.00 37.11 H new ATOM 0 HG LEU A 205 66.804 44.402 49.318 1.00 37.05 H new ATOM 0 HD11 LEU A 205 66.945 42.101 48.982 1.00 36.25 H new ATOM 0 HD12 LEU A 205 66.992 42.441 50.528 1.00 36.25 H new ATOM 0 HD13 LEU A 205 65.656 41.892 49.878 1.00 36.25 H new ATOM 0 HD21 LEU A 205 65.704 43.580 47.419 1.00 38.90 H new ATOM 0 HD22 LEU A 205 64.364 43.457 48.254 1.00 38.90 H new ATOM 0 HD23 LEU A 205 64.982 44.884 47.953 1.00 38.90 H new ATOM 1314 N ARG A 206 68.331 44.921 51.741 1.00 36.95 N ANISOU 1314 N ARG A 206 4939 4992 4106 57 -295 44 N ATOM 1315 CA AARG A 206 69.621 45.611 51.731 0.50 39.20 C ANISOU 1315 CA AARG A 206 5223 5212 4458 -35 -287 -73 C ATOM 1316 CA BARG A 206 69.610 45.623 51.691 0.50 38.44 C ANISOU 1316 CA BARG A 206 5127 5111 4364 -35 -287 -68 C ATOM 1317 C ARG A 206 70.480 44.993 50.630 1.00 38.84 C ANISOU 1317 C ARG A 206 5177 5189 4391 -129 -284 10 C ATOM 1318 O ARG A 206 70.588 43.766 50.554 1.00 39.48 O ANISOU 1318 O ARG A 206 5225 5360 4414 -122 -264 37 O ATOM 1319 CB AARG A 206 70.347 45.451 53.091 0.50 40.69 C ANISOU 1319 CB AARG A 206 5336 5596 4528 -47 -324 -260 C ATOM 1320 CB BARG A 206 70.342 45.546 53.038 0.50 38.98 C ANISOU 1320 CB BARG A 206 5124 5359 4325 -53 -320 -265 C ATOM 1321 CG AARG A 206 69.475 45.658 54.328 0.50 42.48 C ANISOU 1321 CG AARG A 206 5545 5950 4646 14 -300 -388 C ATOM 1322 CG BARG A 206 69.907 46.616 54.008 0.50 40.68 C ANISOU 1322 CG BARG A 206 5331 5549 4575 -74 -251 -521 C ATOM 1323 CD AARG A 206 70.267 45.646 55.634 0.50 45.26 C ANISOU 1323 CD AARG A 206 5771 6671 4754 -64 -356 -579 C ATOM 1324 CD BARG A 206 70.834 46.716 55.204 0.50 42.34 C ANISOU 1324 CD BARG A 206 5420 6088 4579 -197 -301 -788 C ATOM 1325 NE AARG A 206 69.583 46.405 56.683 0.50 48.64 N ANISOU 1325 NE AARG A 206 6188 7202 5088 -109 -260 -880 N ATOM 1326 NE BARG A 206 71.332 45.402 55.560 0.50 41.29 N ANISOU 1326 NE BARG A 206 5181 6297 4210 -125 -431 -550 N ATOM 1327 CZ AARG A 206 69.882 46.358 57.980 0.50 52.36 C ANISOU 1327 CZ AARG A 206 6529 8157 5207 -206 -295 -1077 C ATOM 1328 CZ BARG A 206 72.538 45.172 56.055 0.50 41.66 C ANISOU 1328 CZ BARG A 206 5047 6673 4107 -205 -536 -562 C ATOM 1329 NH1AARG A 206 70.867 45.583 58.424 0.50 53.76 N ANISOU 1329 NH1AARG A 206 6537 8783 5105 -226 -464 -897 N ATOM 1330 NH1BARG A 206 73.368 46.182 56.264 0.50 43.15 N ANISOU 1330 NH1BARG A 206 5157 6927 4307 -417 -543 -896 N ATOM 1331 NH2AARG A 206 69.191 47.095 58.840 0.50 55.01 N ANISOU 1331 NH2AARG A 206 6864 8573 5465 -288 -141 -1440 N ATOM 1332 NH2BARG A 206 72.899 43.927 56.321 0.50 40.98 N ANISOU 1332 NH2BARG A 206 4818 6830 3919 -74 -603 -215 N ATOM 0 H AARG A 206 68.405 44.065 51.710 0.50 36.95 H new ATOM 0 H BARG A 206 68.410 44.065 51.734 0.50 36.95 H new ATOM 0 HA AARG A 206 69.477 46.557 51.573 0.50 38.44 H new ATOM 0 HA BARG A 206 69.436 46.555 51.486 0.50 38.44 H new ATOM 0 HB2AARG A 206 70.733 44.562 53.131 0.50 38.98 H new ATOM 0 HB2BARG A 206 70.187 44.675 53.435 0.50 38.98 H new ATOM 0 HB3AARG A 206 71.083 46.082 53.124 0.50 38.98 H new ATOM 0 HB3BARG A 206 71.297 45.623 52.886 0.50 38.98 H new ATOM 0 HG2AARG A 206 69.007 46.504 54.248 0.50 40.68 H new ATOM 0 HG2BARG A 206 69.877 47.471 53.552 0.50 40.68 H new ATOM 0 HG3AARG A 206 68.800 44.962 54.360 0.50 40.68 H new ATOM 0 HG3BARG A 206 69.006 46.426 54.314 0.50 40.68 H new ATOM 0 HD2AARG A 206 70.396 44.730 55.927 0.50 42.34 H new ATOM 0 HD2BARG A 206 71.576 47.306 54.999 0.50 42.34 H new ATOM 0 HD3AARG A 206 71.148 46.022 55.483 0.50 42.34 H new ATOM 0 HD3BARG A 206 70.362 47.105 55.956 0.50 42.34 H new ATOM 0 HE AARG A 206 68.938 46.921 56.443 0.50 41.29 H new ATOM 0 HE BARG A 206 70.810 44.729 55.442 0.50 41.29 H new ATOM 0 HH11AARG A 206 71.320 45.104 57.871 0.50 43.15 H new ATOM 0 HH11BARG A 206 73.123 46.985 56.078 0.50 43.15 H new ATOM 0 HH12AARG A 206 71.051 45.561 59.264 0.50 43.15 H new ATOM 0 HH12BARG A 206 74.152 46.035 56.586 0.50 43.15 H new ATOM 0 HH21AARG A 206 68.554 47.600 58.559 0.50 40.98 H new ATOM 0 HH21BARG A 206 72.353 43.280 56.172 0.50 40.98 H new ATOM 0 HH22AARG A 206 69.380 47.068 59.678 0.50 40.98 H new ATOM 0 HH22BARG A 206 73.680 43.765 56.643 0.50 40.98 H new ATOM 1333 N ASP A 207 71.098 45.826 49.801 1.00 40.66 N ANISOU 1333 N ASP A 207 5422 5308 4718 -223 -244 44 N ATOM 1334 CA ASP A 207 72.033 45.350 48.797 1.00 41.67 C ANISOU 1334 CA ASP A 207 5538 5483 4809 -340 -195 75 C ATOM 1335 C ASP A 207 73.430 45.893 49.135 1.00 42.49 C ANISOU 1335 C ASP A 207 5580 5519 5046 -416 -170 -49 C ATOM 1336 O ASP A 207 73.688 47.091 49.005 1.00 42.99 O ANISOU 1336 O ASP A 207 5647 5417 5270 -478 -118 -59 O ATOM 1337 CB ASP A 207 71.583 45.801 47.410 1.00 43.24 C ANISOU 1337 CB ASP A 207 5764 5728 4937 -417 -159 284 C ATOM 1338 CG ASP A 207 72.307 45.069 46.283 1.00 45.41 C ANISOU 1338 CG ASP A 207 6024 6161 5067 -584 -67 249 C ATOM 1339 OD1 ASP A 207 73.518 44.793 46.409 1.00 45.59 O ANISOU 1339 OD1 ASP A 207 6014 6113 5194 -631 10 116 O ATOM 1340 OD2 ASP A 207 71.661 44.768 45.247 1.00 49.59 O ANISOU 1340 OD2 ASP A 207 6541 6937 5362 -692 -57 336 O ATOM 0 H ASP A 207 70.986 46.679 49.806 1.00 40.66 H new ATOM 0 HA ASP A 207 72.062 44.380 48.794 1.00 41.67 H new ATOM 0 HB2 ASP A 207 70.628 45.656 47.322 1.00 43.24 H new ATOM 0 HB3 ASP A 207 71.735 46.755 47.320 1.00 43.24 H new ATOM 1341 N LYS A 208 74.333 45.005 49.537 1.00 41.96 N ANISOU 1341 N LYS A 208 5409 5564 4968 -413 -177 -116 N ATOM 1342 CA LYS A 208 75.714 45.399 49.748 1.00 43.87 C ANISOU 1342 CA LYS A 208 5522 5825 5320 -507 -170 -213 C ATOM 1343 C LYS A 208 76.535 45.738 48.515 1.00 43.59 C ANISOU 1343 C LYS A 208 5491 5681 5388 -643 -36 -177 C ATOM 1344 O LYS A 208 77.608 46.300 48.659 1.00 44.46 O ANISOU 1344 O LYS A 208 5484 5772 5633 -747 -16 -269 O ATOM 1345 CB LYS A 208 76.453 44.332 50.545 1.00 46.49 C ANISOU 1345 CB LYS A 208 5656 6364 5642 -423 -219 -176 C ATOM 1346 CG LYS A 208 75.964 44.194 51.978 1.00 48.84 C ANISOU 1346 CG LYS A 208 5878 6902 5775 -324 -363 -178 C ATOM 1347 CD LYS A 208 75.701 45.545 52.615 1.00 51.34 C ANISOU 1347 CD LYS A 208 6239 7242 6027 -446 -422 -442 C ATOM 1348 CE LYS A 208 76.018 45.541 54.070 1.00 55.22 C ANISOU 1348 CE LYS A 208 6527 8166 6285 -478 -562 -556 C ATOM 1349 NZ LYS A 208 77.482 45.379 54.289 1.00 59.09 N ANISOU 1349 NZ LYS A 208 6732 8944 6774 -568 -648 -539 N ATOM 0 H LYS A 208 74.165 44.176 49.691 1.00 41.96 H new ATOM 0 HA LYS A 208 75.631 46.235 50.232 1.00 43.87 H new ATOM 0 HB2 LYS A 208 76.357 43.478 50.095 1.00 46.49 H new ATOM 0 HB3 LYS A 208 77.400 44.543 50.553 1.00 46.49 H new ATOM 0 HG2 LYS A 208 75.151 43.665 51.993 1.00 48.84 H new ATOM 0 HG3 LYS A 208 76.625 43.713 52.500 1.00 48.84 H new ATOM 0 HD2 LYS A 208 76.234 46.222 52.170 1.00 51.34 H new ATOM 0 HD3 LYS A 208 74.770 45.787 52.487 1.00 51.34 H new ATOM 0 HE2 LYS A 208 75.716 46.369 54.474 1.00 55.22 H new ATOM 0 HE3 LYS A 208 75.539 44.820 54.508 1.00 55.22 H new ATOM 0 HZ1 LYS A 208 77.710 45.754 55.064 1.00 59.09 H new ATOM 0 HZ2 LYS A 208 77.686 44.513 54.308 1.00 59.09 H new ATOM 0 HZ3 LYS A 208 77.927 45.774 53.627 1.00 59.09 H new ATOM 1350 N ARG A 209 76.053 45.423 47.319 1.00 42.42 N ANISOU 1350 N ARG A 209 5444 5527 5144 -679 61 -62 N ATOM 1351 CA ARG A 209 76.825 45.689 46.101 1.00 43.03 C ANISOU 1351 CA ARG A 209 5514 5600 5236 -832 217 -10 C ATOM 1352 C ARG A 209 76.728 47.143 45.702 1.00 45.08 C ANISOU 1352 C ARG A 209 5817 5722 5589 -894 248 151 C ATOM 1353 O ARG A 209 77.616 47.656 45.031 1.00 47.05 O ANISOU 1353 O ARG A 209 6019 5919 5937 -1021 384 210 O ATOM 1354 CB ARG A 209 76.367 44.789 44.975 1.00 42.54 C ANISOU 1354 CB ARG A 209 5503 5709 4950 -912 334 -2 C ATOM 1355 CG ARG A 209 76.533 43.315 45.312 1.00 41.63 C ANISOU 1355 CG ARG A 209 5313 5589 4914 -861 426 -181 C ATOM 1356 CD ARG A 209 75.853 42.401 44.333 1.00 42.11 C ANISOU 1356 CD ARG A 209 5415 5798 4785 -1000 583 -316 C ATOM 1357 NE ARG A 209 74.429 42.702 44.305 1.00 41.86 N ANISOU 1357 NE ARG A 209 5472 5915 4517 -988 411 -209 N ATOM 1358 CZ ARG A 209 73.521 41.983 43.658 1.00 41.67 C ANISOU 1358 CZ ARG A 209 5451 6104 4278 -1130 470 -341 C ATOM 1359 NH1 ARG A 209 73.860 40.856 43.022 1.00 42.82 N ANISOU 1359 NH1 ARG A 209 5539 6283 4447 -1318 750 -668 N ATOM 1360 NH2 ARG A 209 72.253 42.389 43.700 1.00 41.10 N ANISOU 1360 NH2 ARG A 209 5402 6200 4013 -1096 278 -180 N ATOM 0 H ARG A 209 75.286 45.057 47.186 1.00 42.42 H new ATOM 0 HA ARG A 209 77.757 45.495 46.287 1.00 43.03 H new ATOM 0 HB2 ARG A 209 75.435 44.971 44.777 1.00 42.54 H new ATOM 0 HB3 ARG A 209 76.873 44.994 44.173 1.00 42.54 H new ATOM 0 HG2 ARG A 209 77.479 43.101 45.341 1.00 41.63 H new ATOM 0 HG3 ARG A 209 76.177 43.151 46.199 1.00 41.63 H new ATOM 0 HD2 ARG A 209 76.236 42.514 43.449 1.00 42.11 H new ATOM 0 HD3 ARG A 209 75.994 41.475 44.587 1.00 42.11 H new ATOM 0 HE ARG A 209 74.158 43.394 44.738 1.00 41.86 H new ATOM 0 HH11 ARG A 209 74.677 40.588 43.029 1.00 42.82 H new ATOM 0 HH12 ARG A 209 73.261 40.400 42.607 1.00 42.82 H new ATOM 0 HH21 ARG A 209 72.043 43.099 44.138 1.00 41.10 H new ATOM 0 HH22 ARG A 209 71.644 41.941 43.289 1.00 41.10 H new ATOM 1361 N ASP A 210 75.663 47.812 46.141 1.00 45.80 N ANISOU 1361 N ASP A 210 5969 5710 5723 -794 170 246 N ATOM 1362 CA ASP A 210 75.518 49.247 45.919 1.00 48.36 C ANISOU 1362 CA ASP A 210 6288 5774 6313 -808 276 437 C ATOM 1363 C ASP A 210 74.875 50.078 47.027 1.00 47.83 C ANISOU 1363 C ASP A 210 6217 5439 6517 -718 277 309 C ATOM 1364 O ASP A 210 74.519 51.198 46.777 1.00 50.38 O ANISOU 1364 O ASP A 210 6517 5467 7156 -690 433 512 O ATOM 1365 CB ASP A 210 74.734 49.464 44.628 1.00 51.05 C ANISOU 1365 CB ASP A 210 6646 6268 6482 -789 315 884 C ATOM 1366 CG ASP A 210 73.299 48.981 44.714 1.00 49.66 C ANISOU 1366 CG ASP A 210 6496 6283 6088 -658 167 992 C ATOM 1367 OD1 ASP A 210 72.943 48.302 45.693 1.00 47.74 O ANISOU 1367 OD1 ASP A 210 6290 6039 5810 -584 60 712 O ATOM 1368 OD2 ASP A 210 72.539 49.276 43.766 1.00 52.87 O ANISOU 1368 OD2 ASP A 210 6847 6902 6339 -639 157 1404 O ATOM 0 H ASP A 210 75.012 47.451 46.571 1.00 45.80 H new ATOM 0 HA ASP A 210 76.431 49.572 45.884 1.00 48.36 H new ATOM 0 HB2 ASP A 210 74.739 50.409 44.408 1.00 51.05 H new ATOM 0 HB3 ASP A 210 75.182 49.002 43.902 1.00 51.05 H new ATOM 1369 N GLY A 211 74.718 49.553 48.230 1.00 46.17 N ANISOU 1369 N GLY A 211 6002 5328 6209 -675 151 -3 N ATOM 1370 CA GLY A 211 74.128 50.332 49.324 1.00 47.97 C ANISOU 1370 CA GLY A 211 6217 5362 6645 -642 202 -227 C ATOM 1371 C GLY A 211 72.634 50.625 49.250 1.00 48.30 C ANISOU 1371 C GLY A 211 6308 5279 6765 -458 238 -1 C ATOM 1372 O GLY A 211 72.115 51.367 50.066 1.00 50.61 O ANISOU 1372 O GLY A 211 6575 5341 7312 -429 365 -199 O ATOM 0 H GLY A 211 74.943 48.750 48.441 1.00 46.17 H new ATOM 0 HA2 GLY A 211 74.300 49.861 50.154 1.00 47.97 H new ATOM 0 HA3 GLY A 211 74.597 51.179 49.376 1.00 47.97 H new ATOM 1373 N LYS A 212 71.938 50.026 48.295 1.00 47.93 N ANISOU 1373 N LYS A 212 6292 5421 6495 -359 145 371 N ATOM 1374 CA LYS A 212 70.505 50.232 48.124 1.00 50.27 C ANISOU 1374 CA LYS A 212 6564 5696 6838 -185 142 656 C ATOM 1375 C LYS A 212 69.821 49.597 49.323 1.00 48.82 C ANISOU 1375 C LYS A 212 6411 5616 6520 -108 54 365 C ATOM 1376 O LYS A 212 70.227 48.513 49.760 1.00 45.75 O ANISOU 1376 O LYS A 212 6061 5481 5839 -158 -73 164 O ATOM 1377 CB LYS A 212 70.039 49.555 46.821 1.00 52.03 C ANISOU 1377 CB LYS A 212 6762 6290 6716 -188 17 1041 C ATOM 1378 CG LYS A 212 68.805 50.144 46.164 1.00 56.58 C ANISOU 1378 CG LYS A 212 7204 6916 7376 -39 21 1548 C ATOM 1379 CD LYS A 212 68.705 49.727 44.694 1.00 59.41 C ANISOU 1379 CD LYS A 212 7480 7775 7317 -147 -86 1927 C ATOM 1380 CE LYS A 212 67.669 50.564 43.958 1.00 65.53 C ANISOU 1380 CE LYS A 212 8027 8674 8196 9 -85 2600 C ATOM 1381 NZ LYS A 212 66.353 50.634 44.663 1.00 67.31 N ANISOU 1381 NZ LYS A 212 8150 8811 8612 217 -128 2655 N ATOM 0 H LYS A 212 72.284 49.485 47.723 1.00 47.93 H new ATOM 0 HA LYS A 212 70.287 51.176 48.067 1.00 50.27 H new ATOM 0 HB2 LYS A 212 70.769 49.587 46.183 1.00 52.03 H new ATOM 0 HB3 LYS A 212 69.867 48.619 47.008 1.00 52.03 H new ATOM 0 HG2 LYS A 212 68.012 49.852 46.640 1.00 56.58 H new ATOM 0 HG3 LYS A 212 68.833 51.112 46.227 1.00 56.58 H new ATOM 0 HD2 LYS A 212 69.570 49.828 44.266 1.00 59.41 H new ATOM 0 HD3 LYS A 212 68.467 48.788 44.636 1.00 59.41 H new ATOM 0 HE2 LYS A 212 68.014 51.463 43.840 1.00 65.53 H new ATOM 0 HE3 LYS A 212 67.534 50.194 43.072 1.00 65.53 H new ATOM 0 HZ1 LYS A 212 65.748 51.008 44.127 1.00 67.31 H new ATOM 0 HZ2 LYS A 212 66.089 49.813 44.881 1.00 67.31 H new ATOM 0 HZ3 LYS A 212 66.437 51.124 45.401 1.00 67.31 H new ATOM 1382 N GLU A 213 68.818 50.273 49.876 1.00 54.91 N ANISOU 1382 N GLU A 213 6528 6961 7373 249 -58 408 N ATOM 1383 CA GLU A 213 68.083 49.746 51.019 1.00 53.81 C ANISOU 1383 CA GLU A 213 6473 6868 7101 191 -221 127 C ATOM 1384 C GLU A 213 66.596 50.094 50.880 1.00 52.49 C ANISOU 1384 C GLU A 213 6456 6445 7043 272 -197 156 C ATOM 1385 O GLU A 213 66.252 51.184 50.437 1.00 54.01 O ANISOU 1385 O GLU A 213 6621 6355 7545 265 3 286 O ATOM 1386 CB GLU A 213 68.700 50.266 52.328 1.00 57.22 C ANISOU 1386 CB GLU A 213 6685 7433 7619 -94 -208 -244 C ATOM 1387 CG GLU A 213 68.022 49.731 53.595 1.00 58.85 C ANISOU 1387 CG GLU A 213 6885 7884 7590 -88 -356 -465 C ATOM 1388 CD GLU A 213 68.927 49.573 54.838 1.00 62.43 C ANISOU 1388 CD GLU A 213 7016 8919 7785 -202 -428 -748 C ATOM 1389 OE1 GLU A 213 70.161 49.861 54.784 1.00 65.84 O ANISOU 1389 OE1 GLU A 213 7215 9573 8228 -339 -388 -861 O ATOM 1390 OE2 GLU A 213 68.397 49.101 55.878 1.00 61.44 O ANISOU 1390 OE2 GLU A 213 6814 9139 7391 -118 -521 -821 O ATOM 0 H GLU A 213 68.547 51.042 49.602 1.00 54.91 H new ATOM 0 HA GLU A 213 68.150 48.779 51.044 1.00 53.81 H new ATOM 0 HB2 GLU A 213 69.640 50.026 52.349 1.00 57.22 H new ATOM 0 HB3 GLU A 213 68.655 51.235 52.333 1.00 57.22 H new ATOM 0 HG2 GLU A 213 67.291 50.326 53.824 1.00 58.85 H new ATOM 0 HG3 GLU A 213 67.632 48.867 53.390 1.00 58.85 H new ATOM 1391 N ASP A 214 65.718 49.147 51.196 1.00 50.22 N ANISOU 1391 N ASP A 214 6289 6244 6546 377 -357 97 N ATOM 1392 CA ASP A 214 64.266 49.405 51.222 1.00 49.43 C ANISOU 1392 CA ASP A 214 6289 5982 6508 436 -357 85 C ATOM 1393 C ASP A 214 63.695 48.875 52.507 1.00 47.39 C ANISOU 1393 C ASP A 214 6038 5802 6164 362 -464 -104 C ATOM 1394 O ASP A 214 64.238 47.952 53.086 1.00 47.26 O ANISOU 1394 O ASP A 214 5964 5998 5993 371 -543 -107 O ATOM 1395 CB ASP A 214 63.549 48.751 50.036 1.00 49.90 C ANISOU 1395 CB ASP A 214 6406 6152 6402 673 -421 224 C ATOM 1396 CG ASP A 214 63.491 49.662 48.803 1.00 53.47 C ANISOU 1396 CG ASP A 214 6784 6647 6886 853 -261 521 C ATOM 1397 OD1 ASP A 214 62.898 50.773 48.888 1.00 54.51 O ANISOU 1397 OD1 ASP A 214 6899 6559 7254 864 -88 665 O ATOM 1398 OD2 ASP A 214 64.036 49.263 47.745 1.00 55.27 O ANISOU 1398 OD2 ASP A 214 6930 7162 6908 1030 -274 650 O ATOM 0 H ASP A 214 65.937 48.341 51.401 1.00 50.22 H new ATOM 0 HA ASP A 214 64.129 50.363 51.158 1.00 49.43 H new ATOM 0 HB2 ASP A 214 64.004 47.926 49.803 1.00 49.90 H new ATOM 0 HB3 ASP A 214 62.647 48.513 50.300 1.00 49.90 H new ATOM 1399 N HIS A 215 62.601 49.472 52.946 1.00 47.21 N ANISOU 1399 N HIS A 215 6047 5649 6242 338 -431 -192 N ATOM 1400 CA HIS A 215 61.902 49.043 54.143 1.00 48.02 C ANISOU 1400 CA HIS A 215 6115 5899 6230 312 -509 -316 C ATOM 1401 C HIS A 215 60.405 48.849 53.845 1.00 46.89 C ANISOU 1401 C HIS A 215 6068 5641 6104 419 -535 -237 C ATOM 1402 O HIS A 215 59.696 49.827 53.625 1.00 48.40 O ANISOU 1402 O HIS A 215 6288 5669 6430 443 -445 -255 O ATOM 1403 CB HIS A 215 62.103 50.071 55.251 1.00 51.10 C ANISOU 1403 CB HIS A 215 6351 6372 6691 150 -439 -643 C ATOM 1404 CG HIS A 215 61.426 49.709 56.538 1.00 54.14 C ANISOU 1404 CG HIS A 215 6623 7093 6855 179 -510 -757 C ATOM 1405 ND1 HIS A 215 61.030 50.654 57.464 1.00 58.22 N ANISOU 1405 ND1 HIS A 215 6994 7716 7411 92 -454 -1139 N ATOM 1406 CD2 HIS A 215 61.074 48.506 57.055 1.00 53.50 C ANISOU 1406 CD2 HIS A 215 6500 7279 6546 314 -590 -512 C ATOM 1407 CE1 HIS A 215 60.472 50.047 58.497 1.00 58.68 C ANISOU 1407 CE1 HIS A 215 6919 8218 7157 198 -531 -1106 C ATOM 1408 NE2 HIS A 215 60.482 48.745 58.270 1.00 56.01 N ANISOU 1408 NE2 HIS A 215 6641 7952 6687 336 -592 -664 N ATOM 0 H HIS A 215 62.239 50.146 52.553 1.00 47.21 H new ATOM 0 HA HIS A 215 62.264 48.193 54.437 1.00 48.02 H new ATOM 0 HB2 HIS A 215 63.053 50.178 55.414 1.00 51.10 H new ATOM 0 HB3 HIS A 215 61.768 50.930 54.949 1.00 51.10 H new ATOM 0 HD1 HIS A 215 61.131 51.504 57.381 1.00 58.22 H new ATOM 0 HD2 HIS A 215 61.208 47.675 56.660 1.00 53.50 H new ATOM 0 HE1 HIS A 215 60.131 50.465 59.254 1.00 58.68 H new ATOM 1409 N PHE A 216 59.937 47.600 53.859 1.00 45.21 N ANISOU 1409 N PHE A 216 5858 5496 5821 483 -619 -148 N ATOM 1410 CA PHE A 216 58.538 47.266 53.591 1.00 46.11 C ANISOU 1410 CA PHE A 216 5988 5555 5974 539 -650 -140 C ATOM 1411 C PHE A 216 57.724 46.917 54.855 1.00 45.42 C ANISOU 1411 C PHE A 216 5820 5559 5878 515 -646 -106 C ATOM 1412 O PHE A 216 57.981 45.905 55.486 1.00 44.52 O ANISOU 1412 O PHE A 216 5611 5514 5790 529 -625 36 O ATOM 1413 CB PHE A 216 58.464 46.091 52.609 1.00 47.41 C ANISOU 1413 CB PHE A 216 6125 5688 6197 587 -698 -170 C ATOM 1414 CG PHE A 216 59.298 46.273 51.364 1.00 48.83 C ANISOU 1414 CG PHE A 216 6320 5941 6289 669 -707 -193 C ATOM 1415 CD1 PHE A 216 59.130 47.393 50.545 1.00 49.89 C ANISOU 1415 CD1 PHE A 216 6457 6179 6319 776 -664 -103 C ATOM 1416 CD2 PHE A 216 60.238 45.301 50.985 1.00 49.79 C ANISOU 1416 CD2 PHE A 216 6411 6057 6450 692 -715 -241 C ATOM 1417 CE1 PHE A 216 59.893 47.544 49.394 1.00 50.31 C ANISOU 1417 CE1 PHE A 216 6458 6407 6250 908 -639 -23 C ATOM 1418 CE2 PHE A 216 60.996 45.453 49.838 1.00 50.02 C ANISOU 1418 CE2 PHE A 216 6413 6249 6340 801 -722 -263 C ATOM 1419 CZ PHE A 216 60.827 46.576 49.047 1.00 50.31 C ANISOU 1419 CZ PHE A 216 6430 6469 6215 911 -690 -135 C ATOM 0 H PHE A 216 60.429 46.915 54.026 1.00 45.21 H new ATOM 0 HA PHE A 216 58.140 48.066 53.213 1.00 46.11 H new ATOM 0 HB2 PHE A 216 58.751 45.284 53.064 1.00 47.41 H new ATOM 0 HB3 PHE A 216 57.539 45.957 52.350 1.00 47.41 H new ATOM 0 HD1 PHE A 216 58.503 48.041 50.772 1.00 49.89 H new ATOM 0 HD2 PHE A 216 60.353 44.544 51.513 1.00 49.79 H new ATOM 0 HE1 PHE A 216 59.778 48.294 48.855 1.00 50.31 H new ATOM 0 HE2 PHE A 216 61.617 44.803 49.599 1.00 50.02 H new ATOM 0 HZ PHE A 216 61.341 46.683 48.279 1.00 50.31 H new ATOM 1420 N AHIS A 217 56.755 47.762 55.200 0.50 45.83 N ANISOU 1420 N AHIS A 217 5874 5628 5909 526 -626 -174 N ATOM 1421 N BHIS A 217 56.735 47.753 55.179 0.50 45.89 N ANISOU 1421 N BHIS A 217 5883 5634 5919 528 -627 -173 N ATOM 1422 CA AHIS A 217 55.833 47.490 56.308 0.50 47.62 C ANISOU 1422 CA AHIS A 217 5990 6019 6082 542 -617 -123 C ATOM 1423 CA BHIS A 217 55.860 47.584 56.352 0.50 47.79 C ANISOU 1423 CA BHIS A 217 6012 6048 6095 541 -614 -136 C ATOM 1424 C AHIS A 217 54.535 48.262 56.121 0.50 47.73 C ANISOU 1424 C AHIS A 217 6029 5993 6112 594 -601 -188 C ATOM 1425 C BHIS A 217 54.525 48.259 56.061 0.50 47.77 C ANISOU 1425 C BHIS A 217 6037 5989 6121 595 -602 -187 C ATOM 1426 O AHIS A 217 54.560 49.442 55.777 0.50 48.46 O ANISOU 1426 O AHIS A 217 6190 5967 6253 633 -536 -291 O ATOM 1427 O BHIS A 217 54.513 49.380 55.557 0.50 48.40 O ANISOU 1427 O BHIS A 217 6194 5942 6253 642 -542 -268 O ATOM 1428 CB AHIS A 217 56.464 47.830 57.670 0.50 49.03 C ANISOU 1428 CB AHIS A 217 6026 6535 6068 540 -590 -193 C ATOM 1429 CB BHIS A 217 56.489 48.231 57.597 0.50 49.21 C ANISOU 1429 CB BHIS A 217 6072 6524 6100 525 -584 -280 C ATOM 1430 CG AHIS A 217 56.679 49.292 57.904 0.50 50.28 C ANISOU 1430 CG AHIS A 217 6186 6685 6231 485 -545 -547 C ATOM 1431 CG BHIS A 217 55.674 48.080 58.848 0.50 51.38 C ANISOU 1431 CG BHIS A 217 6161 7162 6198 604 -566 -229 C ATOM 1432 ND1AHIS A 217 57.248 50.120 56.962 0.50 50.80 N ANISOU 1432 ND1AHIS A 217 6374 6413 6515 423 -483 -654 N ATOM 1433 ND1BHIS A 217 56.147 47.432 59.971 0.50 53.37 N ANISOU 1433 ND1BHIS A 217 6165 7908 6202 694 -545 -54 N ATOM 1434 CD2AHIS A 217 56.440 50.066 58.989 0.50 52.97 C ANISOU 1434 CD2AHIS A 217 6364 7299 6460 483 -505 -848 C ATOM 1435 CD2BHIS A 217 54.428 48.512 59.163 0.50 52.17 C ANISOU 1435 CD2BHIS A 217 6237 7301 6285 656 -545 -277 C ATOM 1436 CE1AHIS A 217 57.333 51.345 57.448 0.50 52.79 C ANISOU 1436 CE1AHIS A 217 6548 6595 6912 357 -368 -997 C ATOM 1437 CE1BHIS A 217 55.225 47.462 60.918 0.50 54.87 C ANISOU 1437 CE1BHIS A 217 6174 8453 6219 801 -511 12 C ATOM 1438 NE2AHIS A 217 56.852 51.340 58.678 0.50 54.19 N ANISOU 1438 NE2AHIS A 217 6553 7155 6878 382 -397 -1198 N ATOM 1439 NE2BHIS A 217 54.172 48.109 60.453 0.50 53.94 N ANISOU 1439 NE2BHIS A 217 6206 8034 6254 761 -519 -151 N ATOM 0 H AHIS A 217 56.611 48.510 54.800 0.50 45.89 H new ATOM 0 H BHIS A 217 56.547 48.452 54.714 0.50 45.89 H new ATOM 0 HA AHIS A 217 55.640 46.539 56.301 0.50 47.79 H new ATOM 0 HA BHIS A 217 55.737 46.637 56.524 0.50 47.79 H new ATOM 0 HB2AHIS A 217 55.895 47.481 58.374 0.50 49.21 H new ATOM 0 HB2BHIS A 217 57.365 47.840 57.745 0.50 49.21 H new ATOM 0 HB3AHIS A 217 57.317 47.373 57.742 0.50 49.21 H new ATOM 0 HB3BHIS A 217 56.625 49.176 57.424 0.50 49.21 H new ATOM 0 HD2AHIS A 217 56.067 49.788 59.794 0.50 52.17 H new ATOM 0 HD2BHIS A 217 53.854 48.991 58.610 0.50 52.17 H new ATOM 0 HE1AHIS A 217 57.674 52.085 57.000 0.50 54.87 H new ATOM 0 HE1BHIS A 217 55.304 47.091 61.767 0.50 54.87 H new ATOM 0 HE2AHIS A 217 56.804 52.022 59.199 0.50 53.94 H new ATOM 0 HE2BHIS A 217 53.444 48.255 60.887 0.50 53.94 H new ATOM 1440 N TYR A 218 53.412 47.588 56.360 1.00 48.15 N ANISOU 1440 N TYR A 218 5987 6119 6187 609 -616 -87 N ATOM 1441 CA TYR A 218 52.069 48.151 56.122 1.00 49.45 C ANISOU 1441 CA TYR A 218 6128 6325 6333 683 -610 -113 C ATOM 1442 C TYR A 218 51.168 48.154 57.367 1.00 51.46 C ANISOU 1442 C TYR A 218 6247 6801 6504 720 -572 -52 C ATOM 1443 O TYR A 218 51.247 47.276 58.204 1.00 52.37 O ANISOU 1443 O TYR A 218 6223 7059 6614 694 -546 120 O ATOM 1444 CB TYR A 218 51.394 47.401 54.979 1.00 49.41 C ANISOU 1444 CB TYR A 218 6050 6312 6408 663 -673 -131 C ATOM 1445 CG TYR A 218 51.962 47.747 53.623 1.00 49.21 C ANISOU 1445 CG TYR A 218 6089 6283 6323 736 -704 -196 C ATOM 1446 CD1 TYR A 218 53.178 47.212 53.191 1.00 48.26 C ANISOU 1446 CD1 TYR A 218 6026 6056 6253 677 -727 -238 C ATOM 1447 CD2 TYR A 218 51.294 48.614 52.770 1.00 49.67 C ANISOU 1447 CD2 TYR A 218 6104 6523 6245 926 -680 -141 C ATOM 1448 CE1 TYR A 218 53.699 47.530 51.946 1.00 48.43 C ANISOU 1448 CE1 TYR A 218 6056 6180 6165 786 -742 -257 C ATOM 1449 CE2 TYR A 218 51.817 48.945 51.528 1.00 50.23 C ANISOU 1449 CE2 TYR A 218 6155 6730 6199 1073 -668 -80 C ATOM 1450 CZ TYR A 218 53.018 48.401 51.120 1.00 49.18 C ANISOU 1450 CZ TYR A 218 6075 6516 6092 993 -707 -154 C ATOM 1451 OH TYR A 218 53.535 48.722 49.889 1.00 49.73 O ANISOU 1451 OH TYR A 218 6077 6820 5995 1177 -684 -57 O ATOM 0 H ATYR A 218 53.401 46.785 56.667 0.50 48.15 H new ATOM 0 H BTYR A 218 53.408 46.800 56.704 0.50 48.15 H new ATOM 0 HA TYR A 218 52.196 49.083 55.885 1.00 49.45 H new ATOM 0 HB2 TYR A 218 51.485 46.447 55.128 1.00 49.41 H new ATOM 0 HB3 TYR A 218 50.445 47.600 54.986 1.00 49.41 H new ATOM 0 HD1 TYR A 218 53.646 46.633 53.748 1.00 48.26 H new ATOM 0 HD2 TYR A 218 50.481 48.980 53.035 1.00 49.67 H new ATOM 0 HE1 TYR A 218 54.505 47.158 51.668 1.00 48.43 H new ATOM 0 HE2 TYR A 218 51.359 49.533 50.971 1.00 50.23 H new ATOM 0 HH TYR A 218 53.018 49.257 49.499 1.00 49.73 H new ATOM 1452 N GLU A 219 50.317 49.164 57.468 1.00 54.27 N ANISOU 1452 N GLU A 219 6606 7212 6800 830 -529 -134 N ATOM 1453 CA GLU A 219 49.284 49.233 58.501 1.00 58.27 C ANISOU 1453 CA GLU A 219 6960 7990 7189 905 -493 -92 C ATOM 1454 C GLU A 219 47.945 49.565 57.886 1.00 56.79 C ANISOU 1454 C GLU A 219 6734 7826 7015 1006 -486 -45 C ATOM 1455 O GLU A 219 46.946 49.063 58.354 1.00 58.40 O ANISOU 1455 O GLU A 219 6768 8244 7177 1011 -488 74 O ATOM 1456 CB GLU A 219 49.637 50.298 59.522 1.00 61.84 C ANISOU 1456 CB GLU A 219 7383 8592 7520 982 -419 -357 C ATOM 1457 CG GLU A 219 50.611 49.804 60.573 1.00 65.34 C ANISOU 1457 CG GLU A 219 7679 9379 7767 940 -440 -385 C ATOM 1458 CD GLU A 219 51.498 50.903 61.123 1.00 69.04 C ANISOU 1458 CD GLU A 219 8105 9942 8184 921 -394 -867 C ATOM 1459 OE1 GLU A 219 51.077 52.089 61.144 1.00 72.10 O ANISOU 1459 OE1 GLU A 219 8518 10151 8724 968 -290 -1206 O ATOM 1460 OE2 GLU A 219 52.628 50.566 61.538 1.00 71.82 O ANISOU 1460 OE2 GLU A 219 8354 10544 8391 859 -434 -931 O ATOM 0 H GLU A 219 50.320 49.838 56.934 1.00 54.27 H new ATOM 0 HA GLU A 219 49.232 48.368 58.937 1.00 58.27 H new ATOM 0 HB2 GLU A 219 50.021 51.063 59.066 1.00 61.84 H new ATOM 0 HB3 GLU A 219 48.826 50.605 59.957 1.00 61.84 H new ATOM 0 HG2 GLU A 219 50.115 49.401 61.302 1.00 65.34 H new ATOM 0 HG3 GLU A 219 51.167 49.108 60.189 1.00 65.34 H new TER 1461 GLU A 219 HETATM 1462 CBD D0H A 500 59.282 22.848 61.497 1.00 59.53 C HETATM 1463 CAZ D0H A 500 60.128 23.944 61.295 1.00 58.73 C HETATM 1464 CAY D0H A 500 60.277 24.909 62.294 1.00 56.83 C HETATM 1465 CBA D0H A 500 60.828 24.085 60.098 1.00 58.51 C HETATM 1466 CBB D0H A 500 61.669 25.185 59.917 1.00 59.55 C HETATM 1467 CBC D0H A 500 61.823 26.144 60.924 1.00 56.75 C HETATM 1468 CAX D0H A 500 61.103 26.041 62.132 1.00 55.17 C HETATM 1469 NAK D0H A 500 61.152 26.859 63.217 1.00 50.33 N HETATM 1470 CAJ D0H A 500 61.486 28.185 63.296 1.00 47.62 C HETATM 1471 CAI D0H A 500 61.935 29.017 62.248 1.00 45.58 C HETATM 1472 CAH D0H A 500 62.260 30.371 62.461 1.00 45.21 C HETATM 1473 NAL D0H A 500 62.702 31.271 61.562 1.00 43.94 N HETATM 1474 CAM D0H A 500 63.427 30.949 60.462 1.00 42.91 C HETATM 1475 OAO D0H A 500 63.659 29.793 60.117 1.00 39.89 O HETATM 1476 NAN D0H A 500 63.863 31.999 59.734 1.00 43.87 N HETATM 1477 CAP D0H A 500 64.650 31.878 58.493 1.00 45.06 C HETATM 1478 CAQ D0H A 500 65.773 32.919 58.504 1.00 45.41 C HETATM 1479 NAG D0H A 500 62.151 30.876 63.694 1.00 45.24 N HETATM 1480 CAF D0H A 500 61.721 30.107 64.761 1.00 46.16 C HETATM 1481 CAE D0H A 500 61.397 28.753 64.607 1.00 47.77 C HETATM 1482 CAC D0H A 500 60.934 28.044 65.738 1.00 47.94 C HETATM 1483 OAD D0H A 500 60.071 27.182 65.584 1.00 46.35 O HETATM 1484 NAB D0H A 500 61.393 28.403 66.966 1.00 52.56 N HETATM 1485 CAA D0H A 500 60.909 27.790 68.055 1.00 55.38 C HETATM 1486 CAV D0H A 500 61.770 27.108 68.909 1.00 55.89 C HETATM 1487 CAU D0H A 500 61.254 26.488 70.048 1.00 60.58 C HETATM 1488 CAW D0H A 500 62.098 25.779 70.895 1.00 62.74 C HETATM 1489 CAT D0H A 500 59.885 26.553 70.345 1.00 58.64 C HETATM 1490 CAS D0H A 500 59.021 27.242 69.499 1.00 58.01 C HETATM 1491 CAR D0H A 500 59.543 27.865 68.364 1.00 57.36 C HETATM 1492 O HOH A 601 73.882 21.301 45.446 1.00 64.66 O HETATM 1493 O HOH A 602 76.773 28.183 36.944 1.00 56.92 O HETATM 1494 O HOH A 603 70.235 39.972 56.382 1.00 30.11 O HETATM 1495 O HOH A 604 77.373 30.735 45.185 1.00 44.81 O HETATM 1496 O HOH A 605 74.622 24.233 70.002 1.00 47.17 O HETATM 1497 O HOH A 606 76.600 38.575 70.949 1.00 40.86 O HETATM 1498 O HOH A 607 63.606 32.272 72.025 1.00 50.68 O HETATM 1499 O HOH A 608 80.665 34.480 67.687 1.00 39.59 O HETATM 1500 O HOH A 609 70.678 28.228 73.557 1.00 46.20 O HETATM 1501 O HOH A 610 63.792 32.721 64.609 1.00 27.34 O HETATM 1502 O HOH A 611 53.677 44.936 57.062 1.00 50.72 O HETATM 1503 O HOH A 612 73.547 19.290 64.862 1.00 43.91 O HETATM 1504 O HOH A 613 79.276 40.155 39.479 1.00 33.00 O HETATM 1505 O HOH A 614 77.753 35.110 60.270 1.00 33.94 O HETATM 1506 O HOH A 615 65.781 49.401 55.674 1.00 51.86 O HETATM 1507 O HOH A 616 66.702 47.487 61.483 1.00 62.05 O HETATM 1508 O HOH A 617 68.035 38.942 66.504 1.00 58.20 O HETATM 1509 O HOH A 618 69.416 30.666 37.280 1.00 38.65 O HETATM 1510 O HOH A 619 67.640 14.689 66.042 1.00 41.22 O HETATM 1511 O HOH A 620 77.490 34.077 40.504 1.00 44.68 O HETATM 1512 O HOH A 621 81.895 34.531 46.601 1.00 53.22 O HETATM 1513 O HOH A 622 76.356 16.846 62.774 1.00 61.61 O HETATM 1514 O HOH A 623 74.770 23.534 51.771 1.00 36.18 O HETATM 1515 O HOH A 624 73.756 48.565 41.447 1.00 59.63 O HETATM 1516 O HOH A 625 67.206 29.914 38.623 1.00 40.72 O HETATM 1517 O HOH A 626 74.272 35.758 31.895 1.00 52.70 O HETATM 1518 O HOH A 627 52.464 31.154 68.863 1.00 82.20 O HETATM 1519 O HOH A 628 70.795 25.221 34.874 1.00 55.00 O HETATM 1520 O HOH A 629 77.710 49.909 43.470 1.00 43.44 O HETATM 1521 O HOH A 630 58.339 36.341 70.824 1.00 56.72 O HETATM 1522 O HOH A 631 65.979 23.843 35.472 1.00 62.23 O HETATM 1523 O HOH A 632 75.154 19.973 68.434 1.00 58.38 O HETATM 1524 O HOH A 633 48.011 41.540 56.286 1.00 59.08 O HETATM 1525 O HOH A 634 68.798 53.011 49.439 1.00 61.32 O HETATM 1526 O HOH A 635 64.878 51.735 46.788 1.00 67.20 O HETATM 1527 O HOH A 636 74.745 37.934 46.651 1.00 32.92 O HETATM 1528 O HOH A 637 78.027 41.820 54.449 1.00 58.18 O HETATM 1529 O HOH A 638 73.146 50.869 41.559 1.00 76.94 O HETATM 1530 O HOH A 639 78.104 30.609 75.537 1.00 54.07 O HETATM 1531 O HOH A 640 70.324 39.808 65.859 1.00 53.87 O HETATM 1532 O HOH A 641 66.414 43.504 63.198 1.00 51.48 O HETATM 1533 O HOH A 642 55.298 44.382 44.978 1.00 57.03 O HETATM 1534 O HOH A 643 65.492 41.064 62.365 1.00 49.77 O HETATM 1535 O HOH A 644 79.370 23.408 61.220 1.00 39.50 O HETATM 1536 O HOH A 645 65.454 32.763 74.011 1.00 58.39 O HETATM 1537 O HOH A 646 61.744 51.776 51.425 1.00 44.27 O HETATM 1538 O HOH A 647 57.172 30.244 72.556 1.00 44.71 O HETATM 1539 O HOH A 648 73.049 36.344 63.511 1.00 47.86 O HETATM 1540 O HOH A 649 68.832 35.058 73.809 1.00 47.14 O HETATM 1541 O HOH A 650 73.562 40.456 72.220 1.00 52.40 O HETATM 1542 O HOH A 651 70.695 35.020 64.176 1.00 49.66 O HETATM 1543 O HOH A 652 80.945 27.593 63.829 1.00 42.05 O HETATM 1544 O HOH A 653 73.915 34.867 77.809 1.00 53.26 O HETATM 1545 O HOH A 654 57.301 33.985 49.007 1.00 63.34 O HETATM 1546 O HOH A 655 76.318 30.360 34.148 1.00 54.70 O HETATM 1547 O HOH A 656 71.965 15.210 58.854 1.00 63.23 O HETATM 1548 O HOH A 657 80.336 33.412 43.216 1.00 48.38 O HETATM 1549 O HOH A 658 82.556 27.587 68.569 1.00 61.49 O HETATM 1550 O HOH A 659 65.891 24.705 71.695 1.00 48.75 O HETATM 1551 O HOH A 660 79.320 39.962 55.751 1.00 41.97 O HETATM 1552 O HOH A 661 65.680 19.363 36.777 1.00 58.47 O HETATM 1553 O HOH A 662 79.242 20.714 69.344 1.00 52.93 O HETATM 1554 O HOH A 663 79.330 23.774 71.657 1.00 42.59 O HETATM 1555 O HOH A 664 78.970 41.645 51.694 1.00 46.06 O HETATM 1556 O HOH A 665 56.791 34.314 44.252 1.00 70.00 O HETATM 1557 O HOH A 666 81.347 28.241 73.518 1.00 51.19 O HETATM 1558 O HOH A 667 70.504 43.891 41.252 1.00 47.74 O HETATM 1559 O HOH A 668 77.554 51.898 45.908 1.00 71.07 O HETATM 1560 O HOH A 669 61.232 33.878 41.052 1.00 64.03 O HETATM 1561 O HOH A 670 72.142 48.555 52.454 1.00 63.84 O HETATM 1562 O HOH A 671 58.286 28.333 60.757 1.00 63.12 O HETATM 1563 O HOH A 672 60.993 36.287 70.342 1.00 72.03 O HETATM 1564 O HOH A 673 74.487 18.067 66.816 1.00 60.71 O HETATM 1565 O HOH A 674 65.941 42.099 35.638 1.00 52.46 O HETATM 1566 O HOH A 675 56.936 28.984 62.922 1.00 55.63 O HETATM 1567 O HOH A 676 62.126 34.821 72.334 1.00 63.45 O HETATM 1568 O HOH A 677 77.032 17.946 45.284 1.00 61.63 O HETATM 1569 O HOH A 678 82.009 23.556 60.561 1.00 53.49 O HETATM 1570 O HOH A 679 71.152 41.221 58.718 1.00 58.31 O HETATM 1571 O HOH A 680 72.334 6.339 72.861 1.00 64.98 O HETATM 1572 O HOH A 681 79.705 37.705 70.874 1.00 53.69 O HETATM 1573 O HOH A 682 84.922 21.700 60.255 1.00 57.22 O HETATM 1574 O HOH A 683 74.865 48.725 52.501 1.00 55.57 O HETATM 1575 O HOH A 684 66.778 41.312 67.630 1.00 54.04 O HETATM 1576 O HOH A 685 82.706 24.506 57.189 1.00 79.80 O HETATM 1577 O HOH A 686 79.917 36.959 68.252 1.00 38.08 O HETATM 1578 O HOH A 687 66.061 35.530 75.055 1.00 60.50 O HETATM 1579 O HOH A 688 82.487 17.461 67.979 1.00 63.66 O CONECT 1462 1463 CONECT 1463 1462 1464 1465 CONECT 1464 1463 1468 CONECT 1465 1463 1466 CONECT 1466 1465 1467 CONECT 1467 1466 1468 CONECT 1468 1464 1467 1469 CONECT 1469 1468 1470 CONECT 1470 1469 1471 1481 CONECT 1471 1470 1472 CONECT 1472 1471 1473 1479 CONECT 1473 1472 1474 CONECT 1474 1473 1475 1476 CONECT 1475 1474 CONECT 1476 1474 1477 CONECT 1477 1476 1478 CONECT 1478 1477 CONECT 1479 1472 1480 CONECT 1480 1479 1481 CONECT 1481 1470 1480 1482 CONECT 1482 1481 1483 1484 CONECT 1483 1482 CONECT 1484 1482 1485 CONECT 1485 1484 1486 1491 CONECT 1486 1485 1487 CONECT 1487 1486 1488 1489 CONECT 1488 1487 CONECT 1489 1487 1490 CONECT 1490 1489 1491 CONECT 1491 1485 1490 END