USER MOD reduce.3.24.130724 H: found=0, std=0, add=2306, rem=0, adj=133 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 01-JUL-13 4LHH TITLE ENDOTHIAPEPSIN IN COMPLEX WITH 2MM ACYLHYDRAZONE INHIBITOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENDOTHIAPEPSIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 90-419; COMPND 5 SYNONYM: ASPARTATE PROTEASE; COMPND 6 EC: 3.4.23.22 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; SOURCE 3 ORGANISM_COMMON: CHESNUT BLIGHT FUNGUS; SOURCE 4 ORGANISM_TAXID: 5116 KEYWDS HYDROLASE, ASPARTIC PROTEASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR N.RADEVA,A.HEINE,G.KLEBE REVDAT 1 02-APR-14 4LHH 0 JRNL AUTH M.MONDAL,N.RADEVA,H.KOSTER,A.PARK,C.POTAMITIS,M.ZERVOU, JRNL AUTH 2 G.KLEBE,A.K.HIRSCH JRNL TITL STRUCTURE-BASED DESIGN OF INHIBITORS OF THE ASPARTIC JRNL TITL 2 PROTEASE ENDOTHIAPEPSIN BY EXPLOITING DYNAMIC COMBINATORIAL JRNL TITL 3 CHEMISTRY. JRNL REF ANGEW.CHEM.INT.ED.ENGL. V. 53 3259 2014 JRNL REFN ISSN 1433-7851 JRNL PMID 24532096 JRNL DOI 10.1002/ANIE.201309682 REMARK 2 REMARK 2 RESOLUTION. 1.73 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.8.1_1168) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.73 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 26.31 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 34317 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.148 REMARK 3 R VALUE (WORKING SET) : 0.146 REMARK 3 FREE R VALUE : 0.176 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.050 REMARK 3 FREE R VALUE TEST SET COUNT : 1734 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 26.3151 - 3.9475 1.00 2792 150 0.1534 0.1675 REMARK 3 2 3.9475 - 3.1349 1.00 2722 155 0.1374 0.1534 REMARK 3 3 3.1349 - 2.7391 1.00 2737 136 0.1465 0.1862 REMARK 3 4 2.7391 - 2.4889 1.00 2744 151 0.1495 0.1652 REMARK 3 5 2.4889 - 2.3106 1.00 2680 150 0.1437 0.1904 REMARK 3 6 2.3106 - 2.1744 1.00 2755 134 0.1359 0.1615 REMARK 3 7 2.1744 - 2.0656 1.00 2722 126 0.1276 0.1748 REMARK 3 8 2.0656 - 1.9757 1.00 2703 144 0.1346 0.1777 REMARK 3 9 1.9757 - 1.8997 1.00 2721 133 0.1451 0.1876 REMARK 3 10 1.8997 - 1.8341 1.00 2707 161 0.1543 0.2028 REMARK 3 11 1.8341 - 1.7768 0.99 2685 156 0.1727 0.1887 REMARK 3 12 1.7768 - 1.7300 0.97 2615 138 0.1902 0.2657 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.150 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.860 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 14.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.006 2532 REMARK 3 ANGLE : 1.028 3469 REMARK 3 CHIRALITY : 0.069 406 REMARK 3 PLANARITY : 0.004 442 REMARK 3 DIHEDRAL : 10.261 814 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 2 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain 'A' and (resid 1 through 183 ) REMARK 3 ORIGIN FOR THE GROUP (A): 33.0666 -5.3143 64.5961 REMARK 3 T TENSOR REMARK 3 T11: 0.0995 T22: 0.0756 REMARK 3 T33: 0.0867 T12: 0.0110 REMARK 3 T13: -0.0057 T23: -0.0020 REMARK 3 L TENSOR REMARK 3 L11: 0.4226 L22: 0.6545 REMARK 3 L33: 1.3773 L12: 0.0622 REMARK 3 L13: -0.0067 L23: 0.0379 REMARK 3 S TENSOR REMARK 3 S11: -0.0253 S12: -0.0864 S13: 0.0411 REMARK 3 S21: 0.1016 S22: -0.0153 S23: -0.0177 REMARK 3 S31: -0.0412 S32: -0.0506 S33: 0.0381 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: chain 'A' and (resid 184 through 330 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.7338 7.5138 44.9046 REMARK 3 T TENSOR REMARK 3 T11: 0.0826 T22: 0.0537 REMARK 3 T33: 0.0709 T12: 0.0009 REMARK 3 T13: 0.0192 T23: 0.0012 REMARK 3 L TENSOR REMARK 3 L11: 1.6562 L22: 0.5734 REMARK 3 L33: 0.6498 L12: -0.0914 REMARK 3 L13: 0.5361 L23: -0.2013 REMARK 3 S TENSOR REMARK 3 S11: -0.0122 S12: 0.0264 S13: 0.0349 REMARK 3 S21: 0.0117 S22: -0.0226 S23: -0.0564 REMARK 3 S31: -0.0371 S32: 0.0034 S33: 0.0380 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4LHH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-JUL-13. REMARK 100 THE RCSB ID CODE IS RCSB080635. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-JAN-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : BESSY REMARK 200 BEAMLINE : 14.2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.918 REMARK 200 MONOCHROMATOR : SI-111 DOUBLE CRYSTAL REMARK 200 MONOCHROMATOR REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 34335 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.730 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 4.100 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.08400 REMARK 200 FOR THE DATA SET : 17.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.73 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.1 REMARK 200 DATA REDUNDANCY IN SHELL : 4.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.48500 REMARK 200 FOR SHELL : 2.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 3PCW REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.46 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2M AMMONIUM ACETATE, 1M SODIUM REMARK 280 ACETATE, 50% PEG 4000, PH 4.6, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 290K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 36.55200 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 63 CD CE NZ REMARK 470 LYS A 68 CG CD CE NZ REMARK 470 LYS A 110 CE NZ REMARK 470 LYS A 111 CE NZ REMARK 470 LYS A 149 NZ REMARK 470 LYS A 191 CG CD CE NZ REMARK 470 LYS A 243 CD CE NZ REMARK 470 ILE A 302 CD1 REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 740 DISTANCE = 5.05 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1TZ A 401 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 402 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 403 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 404 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 405 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 406 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 407 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 408 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 410 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4KUP RELATED DB: PDB REMARK 900 ENDOTHIAPEPSIN IN COMPLEX WITH 20MM ACYLHYDRAZONE INHIBITOR REMARK 900 RELATED ID: 4LBT RELATED DB: PDB REMARK 900 ENDOTHIAPEPSIN IN COMPLEX WITH 100MM ACYLHYDRAZONE INHIBITOR REMARK 900 RELATED ID: 3T7P RELATED DB: PDB REMARK 900 ENDOTHIAPEPSIN IN COMPLEX WITH A HYDRAZIDE DERIVATIVE DBREF 4LHH A 1 330 UNP P11838 CARP_CRYPA 90 419 SEQRES 1 A 330 SER THR GLY SER ALA THR THR THR PRO ILE ASP SER LEU SEQRES 2 A 330 ASP ASP ALA TYR ILE THR PRO VAL GLN ILE GLY THR PRO SEQRES 3 A 330 ALA GLN THR LEU ASN LEU ASP PHE ASP THR GLY SER SER SEQRES 4 A 330 ASP LEU TRP VAL PHE SER SER GLU THR THR ALA SER GLU SEQRES 5 A 330 VAL ASP GLY GLN THR ILE TYR THR PRO SER LYS SER THR SEQRES 6 A 330 THR ALA LYS LEU LEU SER GLY ALA THR TRP SER ILE SER SEQRES 7 A 330 TYR GLY ASP GLY SER SER SER SER GLY ASP VAL TYR THR SEQRES 8 A 330 ASP THR VAL SER VAL GLY GLY LEU THR VAL THR GLY GLN SEQRES 9 A 330 ALA VAL GLU SER ALA LYS LYS VAL SER SER SER PHE THR SEQRES 10 A 330 GLU ASP SER THR ILE ASP GLY LEU LEU GLY LEU ALA PHE SEQRES 11 A 330 SER THR LEU ASN THR VAL SER PRO THR GLN GLN LYS THR SEQRES 12 A 330 PHE PHE ASP ASN ALA LYS ALA SER LEU ASP SER PRO VAL SEQRES 13 A 330 PHE THR ALA ASP LEU GLY TYR HIS ALA PRO GLY THR TYR SEQRES 14 A 330 ASN PHE GLY PHE ILE ASP THR THR ALA TYR THR GLY SER SEQRES 15 A 330 ILE THR TYR THR ALA VAL SER THR LYS GLN GLY PHE TRP SEQRES 16 A 330 GLU TRP THR SER THR GLY TYR ALA VAL GLY SER GLY THR SEQRES 17 A 330 PHE LYS SER THR SER ILE ASP GLY ILE ALA ASP THR GLY SEQRES 18 A 330 THR THR LEU LEU TYR LEU PRO ALA THR VAL VAL SER ALA SEQRES 19 A 330 TYR TRP ALA GLN VAL SER GLY ALA LYS SER SER SER SER SEQRES 20 A 330 VAL GLY GLY TYR VAL PHE PRO CYS SER ALA THR LEU PRO SEQRES 21 A 330 SER PHE THR PHE GLY VAL GLY SER ALA ARG ILE VAL ILE SEQRES 22 A 330 PRO GLY ASP TYR ILE ASP PHE GLY PRO ILE SER THR GLY SEQRES 23 A 330 SER SER SER CYS PHE GLY GLY ILE GLN SER SER ALA GLY SEQRES 24 A 330 ILE GLY ILE ASN ILE PHE GLY ASP VAL ALA LEU LYS ALA SEQRES 25 A 330 ALA PHE VAL VAL PHE ASN GLY ALA THR THR PRO THR LEU SEQRES 26 A 330 GLY PHE ALA SER LYS HET 1TZ A 401 26 HET GOL A 402 6 HET GOL A 403 6 HET GOL A 404 6 HET GOL A 405 6 HET DMS A 406 4 HET DMS A 407 4 HET DMS A 408 4 HET ACT A 409 4 HET ACT A 410 4 HETNAM 1TZ (2S)-2-AZANYL-3-(3H-INDOL-3-YL)-N-[(E)-(2,4,6- HETNAM 2 1TZ TRIMETHYLPHENYL)METHYLIDENEAMINO]PROPANAMIDE HETNAM GOL GLYCEROL HETNAM DMS DIMETHYL SULFOXIDE HETNAM ACT ACETATE ION HETSYN 1TZ (2S)-2-AMINO-3-(1H-INDOL-3-YL)-N-[(E)-(2,4,6- HETSYN 2 1TZ TRIMETHYLPHENYL)METHYLENEAMINO]PROPANAMIDE HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 2 1TZ C21 H24 N4 O FORMUL 3 GOL 4(C3 H8 O3) FORMUL 7 DMS 3(C2 H6 O S) FORMUL 10 ACT 2(C2 H3 O2 1-) FORMUL 12 HOH *333(H2 O) HELIX 1 1 THR A 49 VAL A 53 5 5 HELIX 2 2 THR A 60 SER A 64 5 5 HELIX 3 3 SER A 113 ASP A 119 1 7 HELIX 4 4 PHE A 130 ASN A 134 5 5 HELIX 5 5 THR A 143 LYS A 149 1 7 HELIX 6 6 ALA A 150 LEU A 152 5 3 HELIX 7 7 PRO A 228 ALA A 237 1 10 HELIX 8 8 PRO A 274 TYR A 277 5 4 HELIX 9 9 GLY A 306 LYS A 311 1 6 SHEET 1 A 9 LYS A 68 SER A 78 0 SHEET 2 A 9 SER A 84 VAL A 96 -1 O VAL A 89 N LEU A 70 SHEET 3 A 9 TYR A 17 ILE A 23 -1 N GLN A 22 O SER A 95 SHEET 4 A 9 GLY A 3 PRO A 9 -1 N THR A 8 O ILE A 18 SHEET 5 A 9 GLY A 167 PHE A 171 -1 O GLY A 167 N THR A 7 SHEET 6 A 9 VAL A 156 ASP A 160 -1 N THR A 158 O ASN A 170 SHEET 7 A 9 PHE A 314 ASN A 318 -1 O PHE A 317 N PHE A 157 SHEET 8 A 9 THR A 324 ALA A 328 -1 O ALA A 328 N PHE A 314 SHEET 9 A 9 THR A 184 ALA A 187 -1 N THR A 184 O PHE A 327 SHEET 1 B13 LYS A 68 SER A 78 0 SHEET 2 B13 SER A 84 VAL A 96 -1 O VAL A 89 N LEU A 70 SHEET 3 B13 LEU A 99 VAL A 112 -1 O LYS A 110 N SER A 86 SHEET 4 B13 LEU A 41 VAL A 43 1 N LEU A 41 O GLU A 107 SHEET 5 B13 GLY A 124 GLY A 127 -1 O LEU A 125 N TRP A 42 SHEET 6 B13 GLN A 28 ASP A 35 1 N ASP A 35 O LEU A 126 SHEET 7 B13 TYR A 17 ILE A 23 -1 N VAL A 21 O LEU A 30 SHEET 8 B13 GLY A 3 PRO A 9 -1 N THR A 8 O ILE A 18 SHEET 9 B13 GLY A 167 PHE A 171 -1 O GLY A 167 N THR A 7 SHEET 10 B13 VAL A 156 ASP A 160 -1 N THR A 158 O ASN A 170 SHEET 11 B13 PHE A 314 ASN A 318 -1 O PHE A 317 N PHE A 157 SHEET 12 B13 THR A 324 ALA A 328 -1 O ALA A 328 N PHE A 314 SHEET 13 B13 THR A 184 ALA A 187 -1 N THR A 184 O PHE A 327 SHEET 1 C 7 ALA A 269 ILE A 273 0 SHEET 2 C 7 PHE A 262 VAL A 266 -1 N PHE A 262 O ILE A 273 SHEET 3 C 7 GLU A 196 VAL A 204 -1 N GLY A 201 O GLY A 265 SHEET 4 C 7 LYS A 210 ALA A 218 -1 O LYS A 210 N TYR A 202 SHEET 5 C 7 ASN A 303 PHE A 305 1 O PHE A 305 N ILE A 217 SHEET 6 C 7 LEU A 225 LEU A 227 -1 N TYR A 226 O ILE A 304 SHEET 7 C 7 ILE A 294 SER A 296 1 O GLN A 295 N LEU A 225 SHEET 1 D 4 LYS A 243 SER A 245 0 SHEET 2 D 4 GLY A 250 PRO A 254 -1 O GLY A 250 N SER A 245 SHEET 3 D 4 SER A 289 GLY A 292 -1 O CYS A 290 N PHE A 253 SHEET 4 D 4 ASP A 279 PRO A 282 -1 N GLY A 281 O PHE A 291 SSBOND *** CYS A 255 CYS A 290 1555 1555 2.03 CISPEP 1 THR A 25 PRO A 26 0 -4.89 CISPEP 2 SER A 137 PRO A 138 0 5.42 SITE *** AC1 11 ASP A 33 ASP A 35 TYR A 79 GLY A 80 SITE *** AC1 11 ASP A 81 ASP A 219 GLY A 221 THR A 222 SITE *** AC1 11 TYR A 226 DMS A 406 HOH A 811 SITE *** AC2 7 VAL A 272 TYR A 277 ALA A 312 SER A 329 SITE *** AC2 7 LYS A 330 HOH A 524 HOH A 684 SITE *** AC3 5 ALA A 187 GLU A 196 TRP A 197 THR A 198 SITE *** AC3 5 ASP A 215 SITE *** AC4 6 SER A 297 GLY A 301 ILE A 302 HOH A 536 SITE *** AC4 6 HOH A 563 HOH A 567 SITE *** AC5 5 GLN A 140 LYS A 142 THR A 258 HOH A 538 SITE *** AC5 5 HOH A 723 SITE *** AC6 6 ASP A 81 GLY A 221 THR A 222 THR A 223 SITE *** AC6 6 1TZ A 401 HOH A 733 SITE *** AC7 1 SER A 4 SITE *** AC8 2 ALA A 237 SER A 240 SITE *** AC9 6 ALA A 257 THR A 258 LEU A 259 ASP A 276 SITE *** AC9 6 ASP A 279 HOH A 741 SITE *** BC1 5 CYS A 255 ASP A 279 GLY A 281 CYS A 290 SITE *** BC1 5 HOH A 830 CRYST1 45.467 73.104 53.134 90.00 109.61 90.00 P 1 21 1 2 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 0.021994 0.000000 0.007834 0.00000 SCALE2 0.000000 0.013679 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019979 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 258 THR OG1 : rot 69:sc= 1.35 USER MOD Set 1.2: A 405 GOL O1 : rot -29:sc= 1.12 USER MOD Set 2.1: A 318 ASN : amide:sc= 0.309 K(o=0.68,f=-1.7) USER MOD Set 2.2: A 324 THR OG1 : rot 180:sc= 0.368 USER MOD Set 3.1: A 297 SER OG : rot -166:sc= 1.25 USER MOD Set 3.2: A 303 ASN : amide:sc= 1.91 K(o=3.8,f=-2.1) USER MOD Set 3.3: A 404 GOL O3 : rot 92:sc= 0.69 USER MOD Set 4.1: A 245 SER OG : rot 140:sc= 0.603 USER MOD Set 4.2: A 247 SER OG : rot -14:sc= 0.266 USER MOD Set 5.1: A 240 SER OG A: rot 180:sc= 0 USER MOD Set 5.2: A 408 DMS C1 :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 223 THR OG1 : rot -72:sc= 1.32 USER MOD Set 6.2: A 406 DMS C1 :methyl -154:sc= 0 (180deg=-0.477) USER MOD Set 7.1: A 163 TYR OH : rot 180:sc= 0.749 USER MOD Set 7.2: A 164 HIS : no HE2:sc= -0.049 K(o=0.7,f=1.3) USER MOD Set 8.1: A 83 SER OG : rot 116:sc= 2.05 USER MOD Set 8.2: A 113 SER OG : rot 96:sc= 0.305 USER MOD Set 8.3: A 115 SER OG : rot 177:sc= 0.886 USER MOD Set 9.1: A 104 GLN : amide:sc=-0.00794 K(o=1.9,f=-1.8!) USER MOD Set 9.2: A 147 ASN : amide:sc= 1.9 K(o=1.9,f=-0.14) USER MOD Set10.1: A 95 SER OG : rot -107:sc= 1.24 USER MOD Set10.2: A 100 THR OG1 : rot 180:sc= 1.13 USER MOD Set11.1: A 45 SER OG : rot 178:sc= 1.43 USER MOD Set11.2: A 48 THR OG1 : rot -30:sc= 1.39 USER MOD Set11.3: A 108 SER OG : rot -118:sc= 2.39 USER MOD Set12.1: A 36 THR OG1 : rot 107:sc= 1.17 USER MOD Set12.2: A 220 THR OG1 : rot 101:sc= 1.64 USER MOD Set13.1: A 22 GLN : amide:sc= -0.0784 X(o=0.037,f=0.034) USER MOD Set13.2: A 29 THR OG1 : rot 180:sc= 0.115 USER MOD Set14.1: A 25 THR OG1 : rot 91:sc= 1.69 USER MOD Set14.2: A 66 THR OG1 : rot 97:sc= 1.92 USER MOD Set15.1: A 7 THR OG1 : rot 88:sc= 0.249 USER MOD Set15.2: A 19 THR OG1 : rot -158:sc= 1.56 USER MOD Set16.1: A 4 SER OG : rot 65:sc= 1.27 USER MOD Set16.2: A 170 ASN : amide:sc= 1.7 K(o=3,f=-1.5) USER MOD Single : A 1 SER N :NH3+ -163:sc= 3.3 (180deg=2.98) USER MOD Single : A 1 SER OG : rot -60:sc= 0.989 USER MOD Single : A 2 THR OG1 : rot -85:sc= 2.04 USER MOD Single : A 6 THR OG1 : rot -49:sc= 1.35 USER MOD Single : A 8 THR OG1 : rot 89:sc= 1.36 USER MOD Single : A 12 SER OG : rot 122:sc= 1.15 USER MOD Single : A 17 TYR OH : rot 166:sc= 1.1 USER MOD Single : A 28 GLN : amide:sc= 0.995 K(o=1,f=-5.9!) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 38 SER OG : rot -122:sc= 2.35 USER MOD Single : A 39 SER OG : rot -162:sc= 0.727 USER MOD Single : A 46 SER OG : rot 175:sc= 0.377 USER MOD Single : A 49 THR OG1 : rot 73:sc= 0.778 USER MOD Single : A 51 SER OG : rot -85:sc= 0.024 USER MOD Single : A 56 GLN : amide:sc= 1.06 K(o=1.1,f=-8.5!) USER MOD Single : A 57 THR OG1 : rot -63:sc= 0.0485 USER MOD Single : A 59 TYR OH : rot 21:sc= 0.943 USER MOD Single : A 60 THR OG1 : rot -140:sc= 1.09 USER MOD Single : A 62 SER OG : rot -91:sc= 0.00984 USER MOD Single : A 64 SER OG : rot -165:sc= 1.03 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 95:sc= 2.14 USER MOD Single : A 76 SER OG : rot 15:sc= 0.858 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 143:sc= 1.28 USER MOD Single : A 84 SER OG : rot -108:sc= 2.11 USER MOD Single : A 85 SER OG : rot -168:sc= 0.412 USER MOD Single : A 86 SER OG : rot 84:sc= 1.58 USER MOD Single : A 90 TYR OH : rot 6:sc= 1.23 USER MOD Single : A 91 THR OG1 : rot 75:sc= 2.05 USER MOD Single : A 93 THR OG1 : rot -164:sc= 2.11 USER MOD Single : A 102 THR OG1 : rot 74:sc= 1.33 USER MOD Single : A 114 SER OG : rot -12:sc= -0.022 USER MOD Single : A 117 THR OG1 : rot -65:sc= 2.39 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -120:sc= -0.0422 USER MOD Single : A 131 SER OG : rot 134:sc= 1.92 USER MOD Single : A 132 THR OG1 : rot -150:sc= 1.08 USER MOD Single : A 134 ASN : amide:sc= 1.31 K(o=1.3,f=-4.8!) USER MOD Single : A 135 THR OG1 : rot -60:sc= 1.12 USER MOD Single : A 137 SER OG : rot -93:sc= 1.16 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 1.79 K(o=1.8,f=1.2) USER MOD Single : A 141 GLN : amide:sc= 2.7 K(o=2.7,f=0.11) USER MOD Single : A 142 LYS NZ :NH3+ -170:sc= -0.02 (180deg=-0.122) USER MOD Single : A 143 THR OG1 : rot 150:sc= 0.843 USER MOD Single : A 151 SER OG : rot 76:sc= 0.603 USER MOD Single : A 154 SER OG : rot 76:sc= 0.853 USER MOD Single : A 158 THR OG1 : rot 81:sc= 2.27 USER MOD Single : A 168 THR OG1 : rot 95:sc= 2.79 USER MOD Single : A 169 TYR OH : rot -173:sc= 1.34 USER MOD Single : A 176 THR OG1 : rot -106:sc= 0.0415 USER MOD Single : A 177 THR OG1 : rot -58:sc= 1.33 USER MOD Single : A 179 TYR OH : rot 176:sc= 1.39 USER MOD Single : A 180 THR OG1 : rot -160:sc= 1.4 USER MOD Single : A 182 SER OG A: rot 133:sc= 1.01 USER MOD Single : A 182 SER OG B: rot 180:sc= 0 USER MOD Single : A 184 THR OG1 : rot -106:sc= 1.19 USER MOD Single : A 185 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 THR OG1 : rot -83:sc= 2.92 USER MOD Single : A 189 SER OG : rot -147:sc= 1.25 USER MOD Single : A 190 THR OG1 : rot -71:sc= 0.00331 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 THR OG1 : rot -135:sc= 0.00465 USER MOD Single : A 199 SER OG : rot 50:sc= 0.909 USER MOD Single : A 200 THR OG1 : rot -172:sc= 0.959 USER MOD Single : A 202 TYR OH : rot 131:sc= 2.51 USER MOD Single : A 206 SER OG : rot -89:sc= 0.0154 USER MOD Single : A 208 THR OG1 : rot -109:sc= 0.015 USER MOD Single : A 210 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.99) USER MOD Single : A 211 SER OG : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot -118:sc= 1.55 USER MOD Single : A 213 SER OG : rot -21:sc= 1.35 USER MOD Single : A 222 THR OG1 : rot 103:sc= 0.592 USER MOD Single : A 226 TYR OH : rot 25:sc= 2.32 USER MOD Single : A 230 THR OG1 : rot 180:sc=-0.00605 USER MOD Single : A 233 SER OG : rot 122:sc= 0.857 USER MOD Single : A 235 TYR OH : rot -9:sc= 1.22 USER MOD Single : A 238 GLN : amide:sc= 1.12 K(o=1.1,f=0.23) USER MOD Single : A 240 SER OG B: rot 180:sc= 0 USER MOD Single : A 244 SER OG : rot 152:sc= 1.38 USER MOD Single : A 246 SER OG : rot 180:sc= 0.00049 USER MOD Single : A 251 TYR OH : rot 142:sc= 2.49 USER MOD Single : A 256 SER OG : rot -78:sc= 1.32 USER MOD Single : A 261 SER OG : rot -164:sc= 2.4 USER MOD Single : A 263 THR OG1 : rot 177:sc= 2.01 USER MOD Single : A 268 SER OG A: rot -88:sc= 0.0255 USER MOD Single : A 268 SER OG B: rot 180:sc= 0 USER MOD Single : A 277 TYR OH : rot 166:sc= 2.62 USER MOD Single : A 284 SER OG : rot 1:sc= 1.05 USER MOD Single : A 285 THR OG1 : rot -82:sc= 0.034 USER MOD Single : A 287 SER OG : rot 170:sc= 0.311 USER MOD Single : A 288 SER OG : rot 98:sc= 0.0202 USER MOD Single : A 289 SER OG A: rot -42:sc= 0.614 USER MOD Single : A 289 SER OG B: rot 180:sc=-0.00583 USER MOD Single : A 295 GLN : amide:sc= 2.56 K(o=2.6,f=-5.8!) USER MOD Single : A 296 SER OG : rot 180:sc= 1.25 USER MOD Single : A 311 LYS NZ :NH3+ 174:sc= 2.48 (180deg=2.22) USER MOD Single : A 321 THR OG1 : rot 100:sc= 0.00352 USER MOD Single : A 322 THR OG1 : rot 96:sc= 1.06 USER MOD Single : A 329 SER OG : rot 76:sc= 2.34 USER MOD Single : A 330 LYS NZ :NH3+ -160:sc= 2.73 (180deg=2.08) USER MOD Single : A 402 GOL O1 : rot -33:sc= 1.07 USER MOD Single : A 402 GOL O2 : rot 101:sc= 1.57 USER MOD Single : A 402 GOL O3 : rot 64:sc= 1.72 USER MOD Single : A 403 GOL O1 : rot 96:sc= 1.2 USER MOD Single : A 403 GOL O2 : rot 129:sc= 0.424 USER MOD Single : A 403 GOL O3 : rot 140:sc= 0.214 USER MOD Single : A 404 GOL O1 : rot -19:sc= 1.98 USER MOD Single : A 404 GOL O2 : rot 81:sc= 0.293 USER MOD Single : A 405 GOL O2 : rot 96:sc= 0.0124 USER MOD Single : A 405 GOL O3 : rot 180:sc= 0.0105 USER MOD Single : A 406 DMS C2 :methyl 179:sc= 0 (180deg=-0.00114) USER MOD Single : A 407 DMS C1 :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 407 DMS C2 :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 408 DMS C2 :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 51.647 -12.014 61.445 1.00 12.62 N ANISOU 1 N SER A 1 1102 1903 1790 425 -193 210 N ATOM 2 CA SER A 1 50.336 -12.662 61.346 1.00 13.47 C ANISOU 2 CA SER A 1 1319 1917 1882 439 -166 210 C ATOM 3 C SER A 1 49.450 -12.033 60.279 1.00 14.00 C ANISOU 3 C SER A 1 1420 1938 1961 375 -123 193 C ATOM 4 O SER A 1 49.667 -10.895 59.870 1.00 13.09 O ANISOU 4 O SER A 1 1264 1849 1862 308 -122 182 O ATOM 5 CB SER A 1 49.613 -12.604 62.693 1.00 18.00 C ANISOU 5 CB SER A 1 1952 2461 2427 425 -209 212 C ATOM 6 OG SER A 1 49.267 -11.269 63.024 1.00 21.19 O ANISOU 6 OG SER A 1 2350 2870 2832 339 -229 194 O ATOM 0 H1 SER A 1 52.209 -12.546 61.885 1.00 12.62 H new ATOM 0 H2 SER A 1 51.964 -11.859 60.628 1.00 12.62 H new ATOM 0 H3 SER A 1 51.565 -11.243 61.882 1.00 12.62 H new ATOM 0 HA SER A 1 50.501 -13.583 61.091 1.00 13.47 H new ATOM 0 HB2 SER A 1 48.812 -13.151 62.659 1.00 18.00 H new ATOM 0 HB3 SER A 1 50.181 -12.976 63.386 1.00 18.00 H new ATOM 0 HG SER A 1 49.964 -10.802 63.071 1.00 21.19 H new ATOM 7 N THR A 2 48.451 -12.789 59.827 1.00 11.94 N ANISOU 7 N THR A 2 1239 1608 1690 394 -89 193 N ATOM 8 CA THR A 2 47.440 -12.262 58.911 1.00 9.88 C ANISOU 8 CA THR A 2 1018 1302 1434 338 -55 178 C ATOM 9 C THR A 2 46.063 -12.800 59.283 1.00 9.53 C ANISOU 9 C THR A 2 1063 1190 1367 335 -50 176 C ATOM 10 O THR A 2 45.949 -13.755 60.054 1.00 11.09 O ANISOU 10 O THR A 2 1300 1368 1545 380 -62 189 O ATOM 11 CB THR A 2 47.700 -12.670 57.449 1.00 12.98 C ANISOU 11 CB THR A 2 1402 1691 1838 356 -3 175 C ATOM 12 OG1 THR A 2 47.670 -14.098 57.343 1.00 12.21 O ANISOU 12 OG1 THR A 2 1349 1561 1728 430 17 183 O ATOM 13 CG2 THR A 2 49.051 -12.146 56.955 1.00 10.85 C ANISOU 13 CG2 THR A 2 1037 1496 1589 353 3 177 C ATOM 0 H THR A 2 48.340 -13.615 60.040 1.00 11.94 H new ATOM 0 HA THR A 2 47.483 -11.296 58.989 1.00 9.88 H new ATOM 0 HB THR A 2 47.006 -12.279 56.895 1.00 12.98 H new ATOM 0 HG1 THR A 2 48.425 -14.410 57.539 1.00 12.21 H new ATOM 0 HG21 THR A 2 49.187 -12.418 56.034 1.00 10.85 H new ATOM 0 HG22 THR A 2 49.063 -11.178 57.011 1.00 10.85 H new ATOM 0 HG23 THR A 2 49.761 -12.510 57.507 1.00 10.85 H new ATOM 14 N GLY A 3 45.029 -12.182 58.720 1.00 8.57 N ANISOU 14 N GLY A 3 973 1037 1247 282 -33 163 N ATOM 15 CA GLY A 3 43.669 -12.685 58.837 1.00 7.96 C ANISOU 15 CA GLY A 3 969 907 1150 272 -21 159 C ATOM 16 C GLY A 3 42.964 -12.542 57.502 1.00 9.45 C ANISOU 16 C GLY A 3 1177 1070 1344 244 15 148 C ATOM 17 O GLY A 3 43.321 -11.676 56.702 1.00 10.40 O ANISOU 17 O GLY A 3 1261 1210 1480 218 23 142 O ATOM 0 H GLY A 3 45.099 -11.459 58.260 1.00 8.57 H new ATOM 0 HA2 GLY A 3 43.680 -13.616 59.111 1.00 7.96 H new ATOM 0 HA3 GLY A 3 43.189 -12.194 59.522 1.00 7.96 H new ATOM 18 N SER A 4 41.977 -13.399 57.246 1.00 9.79 N ANISOU 18 N SER A 4 1281 1071 1370 245 35 145 N ATOM 19 CA SER A 4 41.189 -13.321 56.012 1.00 7.96 C ANISOU 19 CA SER A 4 1070 817 1135 215 63 134 C ATOM 20 C SER A 4 39.787 -13.836 56.285 1.00 9.29 C ANISOU 20 C SER A 4 1295 953 1282 191 67 128 C ATOM 21 O SER A 4 39.621 -14.977 56.701 1.00 7.55 O ANISOU 21 O SER A 4 1119 705 1043 210 74 135 O ATOM 22 CB SER A 4 41.836 -14.140 54.891 1.00 12.47 C ANISOU 22 CB SER A 4 1650 1380 1708 248 97 135 C ATOM 23 OG SER A 4 41.110 -14.020 53.668 1.00 10.48 O ANISOU 23 OG SER A 4 1421 1111 1450 215 121 123 O ATOM 0 H SER A 4 41.746 -14.036 57.775 1.00 9.79 H new ATOM 0 HA SER A 4 41.153 -12.396 55.723 1.00 7.96 H new ATOM 0 HB2 SER A 4 42.749 -13.842 54.757 1.00 12.47 H new ATOM 0 HB3 SER A 4 41.878 -15.073 55.153 1.00 12.47 H new ATOM 0 HG SER A 4 41.153 -13.227 53.393 1.00 10.48 H new ATOM 24 N ALA A 5 38.786 -12.993 56.057 1.00 8.09 N ANISOU 24 N ALA A 5 1139 806 1129 150 62 117 N ATOM 25 CA ALA A 5 37.403 -13.349 56.354 1.00 8.25 C ANISOU 25 CA ALA A 5 1194 811 1128 121 65 110 C ATOM 26 C ALA A 5 36.478 -12.943 55.211 1.00 8.41 C ANISOU 26 C ALA A 5 1216 833 1146 89 74 97 C ATOM 27 O ALA A 5 36.630 -11.875 54.610 1.00 9.11 O ANISOU 27 O ALA A 5 1276 937 1249 83 67 94 O ATOM 28 CB ALA A 5 36.955 -12.699 57.671 1.00 6.71 C ANISOU 28 CB ALA A 5 987 634 927 112 41 107 C ATOM 0 H ALA A 5 38.887 -12.205 55.728 1.00 8.09 H new ATOM 0 HA ALA A 5 37.351 -14.313 56.452 1.00 8.25 H new ATOM 0 HB1 ALA A 5 36.035 -12.944 57.856 1.00 6.71 H new ATOM 0 HB2 ALA A 5 37.523 -13.008 58.394 1.00 6.71 H new ATOM 0 HB3 ALA A 5 37.024 -11.734 57.596 1.00 6.71 H new ATOM 29 N THR A 6 35.510 -13.799 54.917 1.00 6.42 N ANISOU 29 N THR A 6 1000 566 873 66 89 91 N ATOM 30 CA THR A 6 34.515 -13.484 53.900 1.00 7.44 C ANISOU 30 CA THR A 6 1127 704 994 33 91 79 C ATOM 31 C THR A 6 33.437 -12.558 54.453 1.00 10.32 C ANISOU 31 C THR A 6 1464 1101 1358 16 73 71 C ATOM 32 O THR A 6 32.949 -12.748 55.568 1.00 10.03 O ANISOU 32 O THR A 6 1428 1072 1311 9 70 70 O ATOM 33 CB THR A 6 33.870 -14.778 53.357 1.00 9.02 C ANISOU 33 CB THR A 6 1377 881 1169 6 111 73 C ATOM 34 OG1 THR A 6 34.874 -15.552 52.695 1.00 8.43 O ANISOU 34 OG1 THR A 6 1334 775 1094 32 131 77 O ATOM 35 CG2 THR A 6 32.732 -14.474 52.369 1.00 8.96 C ANISOU 35 CG2 THR A 6 1362 894 1148 -33 107 60 C ATOM 0 H THR A 6 35.410 -14.566 55.293 1.00 6.42 H new ATOM 0 HA THR A 6 34.967 -13.027 53.174 1.00 7.44 H new ATOM 0 HB THR A 6 33.494 -15.268 54.105 1.00 9.02 H new ATOM 0 HG1 THR A 6 35.302 -15.061 52.164 1.00 8.43 H new ATOM 0 HG21 THR A 6 32.350 -15.306 52.049 1.00 8.96 H new ATOM 0 HG22 THR A 6 32.045 -13.955 52.816 1.00 8.96 H new ATOM 0 HG23 THR A 6 33.081 -13.969 51.618 1.00 8.96 H new ATOM 36 N THR A 7 33.067 -11.553 53.663 1.00 7.49 N ANISOU 36 N THR A 7 1081 758 1005 12 62 65 N ATOM 37 CA THR A 7 31.999 -10.637 54.043 1.00 8.75 C ANISOU 37 CA THR A 7 1214 947 1162 8 45 56 C ATOM 38 C THR A 7 30.826 -10.822 53.076 1.00 10.04 C ANISOU 38 C THR A 7 1375 1131 1309 -18 44 47 C ATOM 39 O THR A 7 31.029 -11.004 51.881 1.00 9.67 O ANISOU 39 O THR A 7 1342 1074 1257 -25 48 49 O ATOM 40 CB THR A 7 32.516 -9.169 54.122 1.00 8.86 C ANISOU 40 CB THR A 7 1209 962 1196 32 26 57 C ATOM 41 OG1 THR A 7 31.547 -8.335 54.766 1.00 9.93 O ANISOU 41 OG1 THR A 7 1326 1120 1328 41 11 46 O ATOM 42 CG2 THR A 7 32.875 -8.603 52.738 1.00 8.71 C ANISOU 42 CG2 THR A 7 1194 933 1182 32 24 64 C ATOM 0 H THR A 7 33.425 -11.385 52.899 1.00 7.49 H new ATOM 0 HA THR A 7 31.682 -10.842 54.937 1.00 8.75 H new ATOM 0 HB THR A 7 33.331 -9.178 54.648 1.00 8.86 H new ATOM 0 HG1 THR A 7 31.670 -8.352 55.597 1.00 9.93 H new ATOM 0 HG21 THR A 7 33.191 -7.691 52.833 1.00 8.71 H new ATOM 0 HG22 THR A 7 33.572 -9.146 52.337 1.00 8.71 H new ATOM 0 HG23 THR A 7 32.089 -8.615 52.170 1.00 8.71 H new ATOM 43 N THR A 8 29.604 -10.811 53.609 1.00 6.49 N ANISOU 43 N THR A 8 903 716 845 -32 40 36 N ATOM 44 CA THR A 8 28.418 -11.217 52.851 1.00 6.76 C ANISOU 44 CA THR A 8 927 783 860 -65 37 27 C ATOM 45 C THR A 8 27.333 -10.136 52.932 1.00 8.28 C ANISOU 45 C THR A 8 1071 1025 1051 -47 17 17 C ATOM 46 O THR A 8 27.041 -9.637 54.015 1.00 9.25 O ANISOU 46 O THR A 8 1172 1166 1178 -27 17 11 O ATOM 47 CB THR A 8 27.873 -12.556 53.410 1.00 7.59 C ANISOU 47 CB THR A 8 1050 892 943 -112 58 22 C ATOM 48 OG1 THR A 8 28.935 -13.528 53.435 1.00 11.64 O ANISOU 48 OG1 THR A 8 1616 1351 1457 -115 76 32 O ATOM 49 CG2 THR A 8 26.729 -13.084 52.558 1.00 14.33 C ANISOU 49 CG2 THR A 8 1893 1779 1771 -161 54 11 C ATOM 0 H THR A 8 29.439 -10.569 54.418 1.00 6.49 H new ATOM 0 HA THR A 8 28.667 -11.335 51.921 1.00 6.76 H new ATOM 0 HB THR A 8 27.538 -12.399 54.307 1.00 7.59 H new ATOM 0 HG1 THR A 8 29.343 -13.479 54.168 1.00 11.64 H new ATOM 0 HG21 THR A 8 26.408 -13.921 52.930 1.00 14.33 H new ATOM 0 HG22 THR A 8 26.007 -12.437 52.548 1.00 14.33 H new ATOM 0 HG23 THR A 8 27.042 -13.232 51.652 1.00 14.33 H new ATOM 50 N PRO A 9 26.747 -9.755 51.786 1.00 7.37 N ANISOU 50 N PRO A 9 942 932 927 -47 -2 15 N ATOM 51 CA PRO A 9 25.628 -8.801 51.819 1.00 7.47 C ANISOU 51 CA PRO A 9 907 997 936 -19 -24 6 C ATOM 52 C PRO A 9 24.477 -9.326 52.678 1.00 11.26 C ANISOU 52 C PRO A 9 1344 1534 1400 -45 -13 -9 C ATOM 53 O PRO A 9 24.166 -10.525 52.640 1.00 11.75 O ANISOU 53 O PRO A 9 1414 1606 1445 -103 3 -12 O ATOM 54 CB PRO A 9 25.176 -8.717 50.348 1.00 10.20 C ANISOU 54 CB PRO A 9 1250 1360 1265 -27 -46 8 C ATOM 55 CG PRO A 9 26.302 -9.246 49.548 1.00 17.68 C ANISOU 55 CG PRO A 9 2252 2254 2214 -46 -34 19 C ATOM 56 CD PRO A 9 27.078 -10.198 50.422 1.00 7.58 C ANISOU 56 CD PRO A 9 998 938 942 -67 -3 20 C ATOM 0 HA PRO A 9 25.888 -7.947 52.197 1.00 7.47 H new ATOM 0 HB2 PRO A 9 24.371 -9.237 50.201 1.00 10.20 H new ATOM 0 HB3 PRO A 9 24.972 -7.802 50.099 1.00 10.20 H new ATOM 0 HG2 PRO A 9 25.973 -9.701 48.757 1.00 17.68 H new ATOM 0 HG3 PRO A 9 26.872 -8.523 49.243 1.00 17.68 H new ATOM 0 HD2 PRO A 9 26.813 -11.119 50.271 1.00 7.58 H new ATOM 0 HD3 PRO A 9 28.031 -10.145 50.250 1.00 7.58 H new ATOM 57 N ILE A 10 23.836 -8.438 53.434 1.00 10.52 N ANISOU 57 N ILE A 10 1208 1478 1310 -4 -18 -18 N ATOM 58 CA ILE A 10 22.744 -8.855 54.314 1.00 10.51 C ANISOU 58 CA ILE A 10 1160 1541 1292 -27 -2 -33 C ATOM 59 C ILE A 10 21.431 -9.087 53.563 1.00 16.74 C ANISOU 59 C ILE A 10 1891 2408 2061 -52 -16 -43 C ATOM 60 O ILE A 10 20.519 -9.724 54.083 1.00 12.00 O ANISOU 60 O ILE A 10 1249 1868 1443 -96 1 -54 O ATOM 61 CB ILE A 10 22.504 -7.848 55.455 1.00 10.72 C ANISOU 61 CB ILE A 10 1162 1587 1326 30 3 -44 C ATOM 62 CG1 ILE A 10 22.081 -6.482 54.902 1.00 10.30 C ANISOU 62 CG1 ILE A 10 1085 1549 1280 102 -28 -48 C ATOM 63 CG2 ILE A 10 23.758 -7.707 56.318 1.00 10.55 C ANISOU 63 CG2 ILE A 10 1194 1496 1317 44 14 -36 C ATOM 64 CD1 ILE A 10 21.503 -5.544 55.989 1.00 9.17 C ANISOU 64 CD1 ILE A 10 911 1438 1135 162 -21 -66 C ATOM 0 H ILE A 10 24.015 -7.597 53.453 1.00 10.52 H new ATOM 0 HA ILE A 10 23.031 -9.701 54.692 1.00 10.51 H new ATOM 0 HB ILE A 10 21.783 -8.187 56.008 1.00 10.72 H new ATOM 0 HG12 ILE A 10 22.847 -6.055 54.487 1.00 10.30 H new ATOM 0 HG13 ILE A 10 21.417 -6.611 54.207 1.00 10.30 H new ATOM 0 HG21 ILE A 10 23.591 -7.071 57.031 1.00 10.55 H new ATOM 0 HG22 ILE A 10 23.986 -8.568 56.701 1.00 10.55 H new ATOM 0 HG23 ILE A 10 24.494 -7.392 55.770 1.00 10.55 H new ATOM 0 HD11 ILE A 10 21.253 -4.698 55.587 1.00 9.17 H new ATOM 0 HD12 ILE A 10 20.721 -5.955 56.389 1.00 9.17 H new ATOM 0 HD13 ILE A 10 22.173 -5.390 56.674 1.00 9.17 H new ATOM 65 N ASP A 11 21.336 -8.560 52.347 1.00 8.53 N ANISOU 65 N ASP A 11 848 1370 1021 -28 -48 -38 N ATOM 66 CA ASP A 11 20.118 -8.689 51.549 1.00 9.53 C ANISOU 66 CA ASP A 11 917 1577 1128 -46 -72 -46 C ATOM 67 C ASP A 11 20.411 -8.533 50.059 1.00 12.13 C ANISOU 67 C ASP A 11 1277 1883 1450 -43 -104 -35 C ATOM 68 O ASP A 11 21.572 -8.401 49.662 1.00 11.73 O ANISOU 68 O ASP A 11 1292 1755 1411 -33 -101 -21 O ATOM 69 CB ASP A 11 19.023 -7.714 52.026 1.00 11.83 C ANISOU 69 CB ASP A 11 1130 1946 1417 16 -84 -59 C ATOM 70 CG ASP A 11 19.428 -6.244 51.918 1.00 20.25 C ANISOU 70 CG ASP A 11 2218 2974 2502 114 -106 -52 C ATOM 71 OD1 ASP A 11 20.273 -5.892 51.070 1.00 12.47 O ANISOU 71 OD1 ASP A 11 1291 1924 1524 128 -125 -35 O ATOM 72 OD2 ASP A 11 18.885 -5.430 52.692 1.00 14.67 O ANISOU 72 OD2 ASP A 11 1474 2302 1799 176 -104 -64 O ATOM 0 H ASP A 11 21.968 -8.121 51.963 1.00 8.53 H new ATOM 0 HA ASP A 11 19.774 -9.587 51.681 1.00 9.53 H new ATOM 0 HB2 ASP A 11 18.219 -7.860 51.503 1.00 11.83 H new ATOM 0 HB3 ASP A 11 18.801 -7.914 52.949 1.00 11.83 H new ATOM 73 N SER A 12 19.360 -8.534 49.243 1.00 9.60 N ANISOU 73 N SER A 12 906 1636 1107 -53 -135 -41 N ATOM 74 CA SER A 12 19.500 -8.546 47.789 1.00 12.79 C ANISOU 74 CA SER A 12 1340 2027 1494 -62 -167 -31 C ATOM 75 C SER A 12 19.950 -7.198 47.218 1.00 12.35 C ANISOU 75 C SER A 12 1312 1934 1448 22 -195 -14 C ATOM 76 O SER A 12 20.272 -7.098 46.035 1.00 15.77 O ANISOU 76 O SER A 12 1785 2343 1865 20 -217 -1 O ATOM 77 CB SER A 12 18.174 -8.940 47.146 1.00 18.12 C ANISOU 77 CB SER A 12 1946 2801 2136 -101 -197 -44 C ATOM 78 OG SER A 12 17.189 -7.961 47.430 1.00 17.09 O ANISOU 78 OG SER A 12 1736 2749 2009 -31 -222 -48 O ATOM 0 H SER A 12 18.545 -8.528 49.517 1.00 9.60 H new ATOM 0 HA SER A 12 20.191 -9.195 47.582 1.00 12.79 H new ATOM 0 HB2 SER A 12 18.285 -9.029 46.187 1.00 18.12 H new ATOM 0 HB3 SER A 12 17.888 -9.804 47.480 1.00 18.12 H new ATOM 0 HG SER A 12 16.886 -7.651 46.710 1.00 17.09 H new ATOM 79 N LEU A 13 19.975 -6.178 48.063 1.00 10.74 N ANISOU 79 N LEU A 13 1094 1721 1265 93 -192 -13 N ATOM 80 CA LEU A 13 20.341 -4.828 47.632 1.00 9.97 C ANISOU 80 CA LEU A 13 1031 1582 1175 173 -217 4 C ATOM 81 C LEU A 13 21.743 -4.415 48.080 1.00 8.96 C ANISOU 81 C LEU A 13 975 1357 1072 184 -193 15 C ATOM 82 O LEU A 13 22.159 -3.284 47.821 1.00 11.87 O ANISOU 82 O LEU A 13 1383 1679 1447 239 -209 29 O ATOM 83 CB LEU A 13 19.336 -3.809 48.175 1.00 14.81 C ANISOU 83 CB LEU A 13 1587 2251 1790 256 -237 -5 C ATOM 84 CG LEU A 13 17.895 -3.917 47.676 1.00 18.55 C ANISOU 84 CG LEU A 13 1976 2835 2239 267 -271 -14 C ATOM 85 CD1 LEU A 13 17.030 -2.886 48.375 1.00 19.38 C ANISOU 85 CD1 LEU A 13 2024 2989 2349 363 -281 -25 C ATOM 86 CD2 LEU A 13 17.833 -3.728 46.165 1.00 17.13 C ANISOU 86 CD2 LEU A 13 1821 2655 2034 272 -316 5 C ATOM 0 H LEU A 13 19.782 -6.243 48.899 1.00 10.74 H new ATOM 0 HA LEU A 13 20.330 -4.842 46.662 1.00 9.97 H new ATOM 0 HB2 LEU A 13 19.326 -3.882 49.142 1.00 14.81 H new ATOM 0 HB3 LEU A 13 19.663 -2.921 47.961 1.00 14.81 H new ATOM 0 HG LEU A 13 17.559 -4.803 47.883 1.00 18.55 H new ATOM 0 HD11 LEU A 13 16.117 -2.959 48.055 1.00 19.38 H new ATOM 0 HD12 LEU A 13 17.050 -3.042 49.332 1.00 19.38 H new ATOM 0 HD13 LEU A 13 17.369 -1.997 48.186 1.00 19.38 H new ATOM 0 HD21 LEU A 13 16.913 -3.800 45.867 1.00 17.13 H new ATOM 0 HD22 LEU A 13 18.180 -2.852 45.934 1.00 17.13 H new ATOM 0 HD23 LEU A 13 18.367 -4.412 45.731 1.00 17.13 H new ATOM 87 N ASP A 14 22.461 -5.312 48.748 1.00 8.89 N ANISOU 87 N ASP A 14 984 1318 1077 131 -155 10 N ATOM 88 CA ASP A 14 23.753 -4.964 49.372 1.00 10.94 C ANISOU 88 CA ASP A 14 1296 1501 1360 140 -133 17 C ATOM 89 C ASP A 14 23.602 -3.789 50.351 1.00 14.70 C ANISOU 89 C ASP A 14 1764 1969 1851 205 -137 11 C ATOM 90 O ASP A 14 24.438 -2.884 50.363 1.00 11.54 O ANISOU 90 O ASP A 14 1413 1508 1463 233 -142 22 O ATOM 91 CB ASP A 14 24.833 -4.586 48.334 1.00 7.81 C ANISOU 91 CB ASP A 14 961 1041 965 138 -139 39 C ATOM 92 CG ASP A 14 25.159 -5.700 47.365 1.00 13.21 C ANISOU 92 CG ASP A 14 1665 1722 1632 80 -129 43 C ATOM 93 OD1 ASP A 14 24.790 -6.867 47.615 1.00 14.64 O ANISOU 93 OD1 ASP A 14 1826 1931 1805 34 -114 30 O ATOM 94 OD2 ASP A 14 25.804 -5.400 46.335 1.00 12.31 O ANISOU 94 OD2 ASP A 14 1594 1573 1509 79 -135 59 O ATOM 0 H ASP A 14 22.224 -6.132 48.856 1.00 8.89 H new ATOM 0 HA ASP A 14 24.036 -5.763 49.844 1.00 10.94 H new ATOM 0 HB2 ASP A 14 24.533 -3.811 47.834 1.00 7.81 H new ATOM 0 HB3 ASP A 14 25.643 -4.327 48.801 1.00 7.81 H new ATOM 95 N ASP A 15 22.541 -3.780 51.156 1.00 10.45 N ANISOU 95 N ASP A 15 1169 1493 1307 226 -134 -8 N ATOM 96 CA ASP A 15 22.327 -2.684 52.108 1.00 10.90 C ANISOU 96 CA ASP A 15 1223 1545 1373 294 -135 -19 C ATOM 97 C ASP A 15 23.453 -2.579 53.132 1.00 14.44 C ANISOU 97 C ASP A 15 1717 1930 1839 282 -111 -21 C ATOM 98 O ASP A 15 23.776 -1.491 53.614 1.00 14.21 O ANISOU 98 O ASP A 15 1721 1860 1818 330 -118 -25 O ATOM 99 CB ASP A 15 20.970 -2.814 52.797 1.00 12.04 C ANISOU 99 CB ASP A 15 1289 1779 1505 316 -128 -42 C ATOM 100 CG ASP A 15 19.838 -2.330 51.919 1.00 20.28 C ANISOU 100 CG ASP A 15 2286 2886 2534 365 -164 -41 C ATOM 101 OD1 ASP A 15 20.027 -1.295 51.246 1.00 17.79 O ANISOU 101 OD1 ASP A 15 2010 2529 2219 423 -194 -28 O ATOM 102 OD2 ASP A 15 18.772 -2.983 51.876 1.00 15.42 O ANISOU 102 OD2 ASP A 15 1593 2362 1903 342 -163 -53 O ATOM 0 H ASP A 15 21.937 -4.392 51.169 1.00 10.45 H new ATOM 0 HA ASP A 15 22.332 -1.860 51.597 1.00 10.90 H new ATOM 0 HB2 ASP A 15 20.818 -3.741 53.037 1.00 12.04 H new ATOM 0 HB3 ASP A 15 20.978 -2.305 53.623 1.00 12.04 H new ATOM 103 N ALA A 16 24.055 -3.719 53.442 1.00 8.37 N ANISOU 103 N ALA A 16 954 1152 1073 218 -87 -18 N ATOM 104 CA ALA A 16 25.217 -3.776 54.323 1.00 9.63 C ANISOU 104 CA ALA A 16 1153 1259 1247 203 -69 -17 C ATOM 105 C ALA A 16 25.891 -5.128 54.151 1.00 7.11 C ANISOU 105 C ALA A 16 845 927 929 139 -50 -7 C ATOM 106 O ALA A 16 25.370 -5.999 53.459 1.00 13.62 O ANISOU 106 O ALA A 16 1653 1783 1741 104 -47 -5 O ATOM 107 CB ALA A 16 24.809 -3.558 55.787 1.00 9.31 C ANISOU 107 CB ALA A 16 1094 1241 1202 225 -53 -37 C ATOM 0 H ALA A 16 23.801 -4.486 53.147 1.00 8.37 H new ATOM 0 HA ALA A 16 25.836 -3.068 54.086 1.00 9.63 H new ATOM 0 HB1 ALA A 16 25.596 -3.600 56.352 1.00 9.31 H new ATOM 0 HB2 ALA A 16 24.391 -2.688 55.880 1.00 9.31 H new ATOM 0 HB3 ALA A 16 24.182 -4.248 56.055 1.00 9.31 H new ATOM 108 N TYR A 17 27.047 -5.290 54.781 1.00 8.10 N ANISOU 108 N TYR A 17 1003 1009 1066 126 -38 -1 N ATOM 109 CA TYR A 17 27.823 -6.520 54.667 1.00 9.49 C ANISOU 109 CA TYR A 17 1197 1165 1243 80 -20 10 C ATOM 110 C TYR A 17 28.157 -7.011 56.063 1.00 9.88 C ANISOU 110 C TYR A 17 1252 1212 1291 71 -4 6 C ATOM 111 O TYR A 17 28.525 -6.216 56.923 1.00 10.66 O ANISOU 111 O TYR A 17 1358 1297 1395 97 -10 0 O ATOM 112 CB TYR A 17 29.119 -6.266 53.891 1.00 8.35 C ANISOU 112 CB TYR A 17 1086 972 1114 79 -25 26 C ATOM 113 CG TYR A 17 28.897 -5.870 52.449 1.00 10.40 C ANISOU 113 CG TYR A 17 1353 1231 1370 82 -39 34 C ATOM 114 CD1 TYR A 17 28.576 -4.561 52.110 1.00 11.79 C ANISOU 114 CD1 TYR A 17 1533 1401 1547 119 -62 35 C ATOM 115 CD2 TYR A 17 29.006 -6.804 51.427 1.00 11.30 C ANISOU 115 CD2 TYR A 17 1476 1344 1473 51 -30 41 C ATOM 116 CE1 TYR A 17 28.366 -4.195 50.793 1.00 11.10 C ANISOU 116 CE1 TYR A 17 1457 1311 1449 124 -77 47 C ATOM 117 CE2 TYR A 17 28.802 -6.444 50.101 1.00 8.41 C ANISOU 117 CE2 TYR A 17 1121 979 1096 52 -43 48 C ATOM 118 CZ TYR A 17 28.488 -5.140 49.794 1.00 10.89 C ANISOU 118 CZ TYR A 17 1438 1291 1411 89 -68 53 C ATOM 119 OH TYR A 17 28.276 -4.772 48.482 1.00 11.71 O ANISOU 119 OH TYR A 17 1558 1394 1498 92 -85 65 O ATOM 0 H TYR A 17 27.404 -4.692 55.286 1.00 8.10 H new ATOM 0 HA TYR A 17 27.304 -7.186 54.189 1.00 9.49 H new ATOM 0 HB2 TYR A 17 29.621 -5.566 54.337 1.00 8.35 H new ATOM 0 HB3 TYR A 17 29.665 -7.067 53.918 1.00 8.35 H new ATOM 0 HD1 TYR A 17 28.501 -3.920 52.780 1.00 11.79 H new ATOM 0 HD2 TYR A 17 29.219 -7.685 51.634 1.00 11.30 H new ATOM 0 HE1 TYR A 17 28.144 -3.317 50.581 1.00 11.10 H new ATOM 0 HE2 TYR A 17 28.877 -7.079 49.426 1.00 8.41 H new ATOM 0 HH TYR A 17 28.563 -5.375 47.972 1.00 11.71 H new ATOM 120 N ILE A 18 28.024 -8.316 56.294 1.00 9.61 N ANISOU 120 N ILE A 18 1221 1186 1244 33 16 9 N ATOM 121 CA ILE A 18 28.362 -8.874 57.605 1.00 6.49 C ANISOU 121 CA ILE A 18 841 785 841 24 30 10 C ATOM 122 C ILE A 18 29.491 -9.878 57.492 1.00 7.66 C ANISOU 122 C ILE A 18 1025 892 993 7 38 27 C ATOM 123 O ILE A 18 29.609 -10.593 56.489 1.00 7.73 O ANISOU 123 O ILE A 18 1048 887 1001 -12 45 33 O ATOM 124 CB ILE A 18 27.150 -9.542 58.314 1.00 7.88 C ANISOU 124 CB ILE A 18 997 1008 990 -4 50 0 C ATOM 125 CG1 ILE A 18 26.373 -10.437 57.346 1.00 9.69 C ANISOU 125 CG1 ILE A 18 1216 1259 1208 -49 58 0 C ATOM 126 CG2 ILE A 18 26.226 -8.493 58.927 1.00 12.77 C ANISOU 126 CG2 ILE A 18 1577 1672 1604 28 47 -19 C ATOM 127 CD1 ILE A 18 25.317 -11.286 58.058 1.00 8.25 C ANISOU 127 CD1 ILE A 18 1019 1120 997 -96 82 -7 C ATOM 0 H ILE A 18 27.744 -8.888 55.716 1.00 9.61 H new ATOM 0 HA ILE A 18 28.643 -8.121 58.149 1.00 6.49 H new ATOM 0 HB ILE A 18 27.498 -10.096 59.030 1.00 7.88 H new ATOM 0 HG12 ILE A 18 25.942 -9.886 56.674 1.00 9.69 H new ATOM 0 HG13 ILE A 18 26.993 -11.020 56.880 1.00 9.69 H new ATOM 0 HG21 ILE A 18 25.480 -8.934 59.362 1.00 12.77 H new ATOM 0 HG22 ILE A 18 26.718 -7.970 59.580 1.00 12.77 H new ATOM 0 HG23 ILE A 18 25.893 -7.907 58.229 1.00 12.77 H new ATOM 0 HD11 ILE A 18 24.851 -11.835 57.408 1.00 8.25 H new ATOM 0 HD12 ILE A 18 25.748 -11.857 58.713 1.00 8.25 H new ATOM 0 HD13 ILE A 18 24.681 -10.705 58.504 1.00 8.25 H new ATOM 128 N THR A 19 30.308 -9.921 58.541 1.00 7.98 N ANISOU 128 N THR A 19 1082 915 1034 20 37 33 N ATOM 129 CA THR A 19 31.522 -10.718 58.569 1.00 7.30 C ANISOU 129 CA THR A 19 1027 794 955 21 40 50 C ATOM 130 C THR A 19 31.567 -11.451 59.901 1.00 12.17 C ANISOU 130 C THR A 19 1665 1409 1549 16 48 56 C ATOM 131 O THR A 19 31.419 -10.831 60.950 1.00 9.12 O ANISOU 131 O THR A 19 1271 1039 1154 26 40 49 O ATOM 132 CB THR A 19 32.753 -9.792 58.457 1.00 8.43 C ANISOU 132 CB THR A 19 1161 920 1121 49 21 54 C ATOM 133 OG1 THR A 19 32.597 -8.915 57.329 1.00 7.83 O ANISOU 133 OG1 THR A 19 1071 846 1060 52 14 49 O ATOM 134 CG2 THR A 19 34.052 -10.609 58.331 1.00 7.79 C ANISOU 134 CG2 THR A 19 1096 815 1048 58 24 71 C ATOM 0 H THR A 19 30.167 -9.480 59.266 1.00 7.98 H new ATOM 0 HA THR A 19 31.531 -11.346 57.830 1.00 7.30 H new ATOM 0 HB THR A 19 32.816 -9.262 59.267 1.00 8.43 H new ATOM 0 HG1 THR A 19 33.351 -8.635 57.085 1.00 7.83 H new ATOM 0 HG21 THR A 19 34.809 -10.006 58.262 1.00 7.79 H new ATOM 0 HG22 THR A 19 34.158 -11.172 59.114 1.00 7.79 H new ATOM 0 HG23 THR A 19 34.009 -11.165 57.537 1.00 7.79 H new ATOM 135 N PRO A 20 31.763 -12.780 59.873 1.00 8.03 N ANISOU 135 N PRO A 20 1179 861 1011 0 63 70 N ATOM 136 CA PRO A 20 31.739 -13.518 61.139 1.00 7.96 C ANISOU 136 CA PRO A 20 1203 847 975 -7 70 80 C ATOM 137 C PRO A 20 32.952 -13.181 62.003 1.00 9.93 C ANISOU 137 C PRO A 20 1457 1087 1231 31 48 90 C ATOM 138 O PRO A 20 34.065 -13.079 61.490 1.00 7.78 O ANISOU 138 O PRO A 20 1177 798 981 59 35 98 O ATOM 139 CB PRO A 20 31.783 -14.986 60.696 1.00 10.96 C ANISOU 139 CB PRO A 20 1634 1190 1341 -28 89 94 C ATOM 140 CG PRO A 20 32.433 -14.949 59.335 1.00 9.47 C ANISOU 140 CG PRO A 20 1438 981 1178 -11 87 93 C ATOM 141 CD PRO A 20 32.024 -13.648 58.711 1.00 8.66 C ANISOU 141 CD PRO A 20 1282 913 1096 -10 75 76 C ATOM 0 HA PRO A 20 30.964 -13.303 61.681 1.00 7.96 H new ATOM 0 HB2 PRO A 20 32.294 -15.528 61.317 1.00 10.96 H new ATOM 0 HB3 PRO A 20 30.893 -15.369 60.652 1.00 10.96 H new ATOM 0 HG2 PRO A 20 33.398 -15.009 59.410 1.00 9.47 H new ATOM 0 HG3 PRO A 20 32.144 -15.699 58.793 1.00 9.47 H new ATOM 0 HD2 PRO A 20 32.724 -13.287 58.145 1.00 8.66 H new ATOM 0 HD3 PRO A 20 31.235 -13.750 58.156 1.00 8.66 H new ATOM 142 N VAL A 21 32.718 -13.006 63.299 1.00 7.64 N ANISOU 142 N VAL A 21 1175 813 917 31 44 90 N ATOM 143 CA VAL A 21 33.768 -12.638 64.242 1.00 9.53 C ANISOU 143 CA VAL A 21 1417 1050 1153 61 17 97 C ATOM 144 C VAL A 21 33.631 -13.545 65.457 1.00 8.62 C ANISOU 144 C VAL A 21 1350 929 997 54 23 113 C ATOM 145 O VAL A 21 32.537 -13.710 65.986 1.00 9.12 O ANISOU 145 O VAL A 21 1425 1009 1031 23 46 107 O ATOM 146 CB VAL A 21 33.633 -11.160 64.679 1.00 6.95 C ANISOU 146 CB VAL A 21 1058 750 832 68 0 74 C ATOM 147 CG1 VAL A 21 34.677 -10.801 65.757 1.00 7.13 C ANISOU 147 CG1 VAL A 21 1088 775 845 89 -32 79 C ATOM 148 CG2 VAL A 21 33.773 -10.221 63.474 1.00 6.76 C ANISOU 148 CG2 VAL A 21 999 725 846 74 -7 62 C ATOM 0 H VAL A 21 31.942 -13.098 63.658 1.00 7.64 H new ATOM 0 HA VAL A 21 34.636 -12.742 63.822 1.00 9.53 H new ATOM 0 HB VAL A 21 32.749 -11.046 65.061 1.00 6.95 H new ATOM 0 HG11 VAL A 21 34.571 -9.871 66.013 1.00 7.13 H new ATOM 0 HG12 VAL A 21 34.548 -11.367 66.534 1.00 7.13 H new ATOM 0 HG13 VAL A 21 35.569 -10.939 65.402 1.00 7.13 H new ATOM 0 HG21 VAL A 21 33.686 -9.301 63.769 1.00 6.76 H new ATOM 0 HG22 VAL A 21 34.643 -10.348 63.064 1.00 6.76 H new ATOM 0 HG23 VAL A 21 33.079 -10.420 62.826 1.00 6.76 H new ATOM 149 N GLN A 22 34.735 -14.159 65.870 1.00 8.44 N ANISOU 149 N GLN A 22 1353 885 968 84 4 136 N ATOM 150 CA GLN A 22 34.743 -15.013 67.059 1.00 8.02 C ANISOU 150 CA GLN A 22 1355 820 871 85 4 157 C ATOM 151 C GLN A 22 35.108 -14.197 68.291 1.00 10.45 C ANISOU 151 C GLN A 22 1655 1157 1159 98 -24 151 C ATOM 152 O GLN A 22 36.159 -13.550 68.328 1.00 10.75 O ANISOU 152 O GLN A 22 1662 1206 1217 128 -59 149 O ATOM 153 CB GLN A 22 35.745 -16.166 66.903 1.00 9.33 C ANISOU 153 CB GLN A 22 1563 947 1036 121 -5 187 C ATOM 154 CG GLN A 22 35.273 -17.320 66.000 1.00 9.80 C ANISOU 154 CG GLN A 22 1666 964 1095 102 28 195 C ATOM 155 CD GLN A 22 35.168 -16.943 64.522 1.00 9.39 C ANISOU 155 CD GLN A 22 1571 914 1084 95 40 176 C ATOM 156 OE1 GLN A 22 36.057 -16.295 63.960 1.00 10.82 O ANISOU 156 OE1 GLN A 22 1706 1108 1299 128 22 170 O ATOM 157 NE2 GLN A 22 34.076 -17.366 63.883 1.00 7.95 N ANISOU 157 NE2 GLN A 22 1405 722 894 46 70 166 N ATOM 0 H GLN A 22 35.496 -14.095 65.474 1.00 8.44 H new ATOM 0 HA GLN A 22 33.853 -15.383 67.164 1.00 8.02 H new ATOM 0 HB2 GLN A 22 36.573 -15.811 66.544 1.00 9.33 H new ATOM 0 HB3 GLN A 22 35.947 -16.523 67.782 1.00 9.33 H new ATOM 0 HG2 GLN A 22 35.888 -18.064 66.092 1.00 9.80 H new ATOM 0 HG3 GLN A 22 34.407 -17.628 66.309 1.00 9.80 H new ATOM 0 HE21 GLN A 22 33.477 -17.815 64.306 1.00 7.95 H new ATOM 0 HE22 GLN A 22 33.971 -17.190 63.048 1.00 7.95 H new ATOM 158 N ILE A 23 34.251 -14.253 69.310 1.00 8.57 N ANISOU 158 N ILE A 23 1445 934 877 72 -9 148 N ATOM 159 CA ILE A 23 34.482 -13.508 70.547 1.00 8.61 C ANISOU 159 CA ILE A 23 1452 965 853 82 -33 139 C ATOM 160 C ILE A 23 34.421 -14.450 71.743 1.00 9.12 C ANISOU 160 C ILE A 23 1585 1022 860 77 -30 166 C ATOM 161 O ILE A 23 33.477 -15.227 71.885 1.00 11.36 O ANISOU 161 O ILE A 23 1906 1297 1115 41 9 175 O ATOM 162 CB ILE A 23 33.432 -12.396 70.730 1.00 9.49 C ANISOU 162 CB ILE A 23 1534 1112 961 60 -13 103 C ATOM 163 CG1 ILE A 23 33.362 -11.515 69.481 1.00 9.85 C ANISOU 163 CG1 ILE A 23 1525 1159 1060 66 -14 81 C ATOM 164 CG2 ILE A 23 33.741 -11.545 71.983 1.00 10.66 C ANISOU 164 CG2 ILE A 23 1692 1282 1076 72 -39 88 C ATOM 165 CD1 ILE A 23 32.220 -10.478 69.510 1.00 10.40 C ANISOU 165 CD1 ILE A 23 1567 1259 1127 56 7 47 C ATOM 0 H ILE A 23 33.528 -14.718 69.305 1.00 8.57 H new ATOM 0 HA ILE A 23 35.361 -13.102 70.489 1.00 8.61 H new ATOM 0 HB ILE A 23 32.567 -12.815 70.859 1.00 9.49 H new ATOM 0 HG12 ILE A 23 34.207 -11.050 69.376 1.00 9.85 H new ATOM 0 HG13 ILE A 23 33.252 -12.082 68.702 1.00 9.85 H new ATOM 0 HG21 ILE A 23 33.068 -10.853 72.078 1.00 10.66 H new ATOM 0 HG22 ILE A 23 33.734 -12.112 72.770 1.00 10.66 H new ATOM 0 HG23 ILE A 23 34.615 -11.135 71.889 1.00 10.66 H new ATOM 0 HD11 ILE A 23 32.235 -9.957 68.692 1.00 10.40 H new ATOM 0 HD12 ILE A 23 31.368 -10.936 69.586 1.00 10.40 H new ATOM 0 HD13 ILE A 23 32.338 -9.888 70.271 1.00 10.40 H new ATOM 166 N GLY A 24 35.432 -14.396 72.600 1.00 10.39 N ANISOU 166 N GLY A 24 1762 1185 1000 108 -72 180 N ATOM 167 CA GLY A 24 35.394 -15.148 73.839 1.00 9.98 C ANISOU 167 CA GLY A 24 1779 1127 884 107 -75 206 C ATOM 168 C GLY A 24 35.872 -16.588 73.772 1.00 12.58 C ANISOU 168 C GLY A 24 2169 1411 1199 128 -78 250 C ATOM 169 O GLY A 24 36.277 -17.082 72.712 1.00 10.24 O ANISOU 169 O GLY A 24 1861 1086 943 148 -76 258 O ATOM 0 H GLY A 24 36.146 -13.931 72.481 1.00 10.39 H new ATOM 0 HA2 GLY A 24 35.933 -14.679 74.495 1.00 9.98 H new ATOM 0 HA3 GLY A 24 34.481 -15.146 74.168 1.00 9.98 H new ATOM 170 N THR A 25 35.825 -17.251 74.925 1.00 13.88 N ANISOU 170 N THR A 25 2407 1567 1301 126 -82 277 N ATOM 171 CA THR A 25 36.296 -18.627 75.073 1.00 15.50 C ANISOU 171 CA THR A 25 2690 1721 1480 154 -89 323 C ATOM 172 C THR A 25 35.285 -19.429 75.893 1.00 11.90 C ANISOU 172 C THR A 25 2320 1243 956 102 -49 344 C ATOM 173 O THR A 25 35.031 -19.101 77.051 1.00 17.26 O ANISOU 173 O THR A 25 3023 1952 1582 86 -53 344 O ATOM 174 CB THR A 25 37.655 -18.691 75.798 1.00 17.15 C ANISOU 174 CB THR A 25 2908 1937 1671 221 -154 348 C ATOM 175 OG1 THR A 25 38.577 -17.772 75.194 1.00 13.64 O ANISOU 175 OG1 THR A 25 2373 1528 1284 255 -191 325 O ATOM 176 CG2 THR A 25 38.225 -20.111 75.733 1.00 15.46 C ANISOU 176 CG2 THR A 25 2771 1664 1439 268 -163 395 C ATOM 0 H THR A 25 35.515 -16.911 75.652 1.00 13.88 H new ATOM 0 HA THR A 25 36.396 -18.996 74.182 1.00 15.50 H new ATOM 0 HB THR A 25 37.522 -18.447 76.727 1.00 17.15 H new ATOM 0 HG1 THR A 25 38.529 -17.030 75.584 1.00 13.64 H new ATOM 0 HG21 THR A 25 39.079 -20.138 76.192 1.00 15.46 H new ATOM 0 HG22 THR A 25 37.609 -20.727 76.160 1.00 15.46 H new ATOM 0 HG23 THR A 25 38.348 -20.368 74.806 1.00 15.46 H new ATOM 177 N PRO A 26 34.683 -20.472 75.295 1.00 13.38 N ANISOU 177 N PRO A 26 2559 1382 1142 69 -8 360 N ATOM 178 CA PRO A 26 34.795 -20.902 73.893 1.00 12.52 C ANISOU 178 CA PRO A 26 2432 1236 1089 78 5 355 C ATOM 179 C PRO A 26 34.252 -19.826 72.968 1.00 12.98 C ANISOU 179 C PRO A 26 2391 1340 1202 50 22 309 C ATOM 180 O PRO A 26 33.587 -18.905 73.443 1.00 14.26 O ANISOU 180 O PRO A 26 2510 1554 1354 19 33 283 O ATOM 181 CB PRO A 26 33.902 -22.148 73.831 1.00 15.84 C ANISOU 181 CB PRO A 26 2945 1603 1472 18 52 378 C ATOM 182 CG PRO A 26 32.951 -21.995 74.973 1.00 21.66 C ANISOU 182 CG PRO A 26 3710 2374 2148 -44 80 379 C ATOM 183 CD PRO A 26 33.737 -21.308 76.055 1.00 13.39 C ANISOU 183 CD PRO A 26 2649 1361 1076 9 33 383 C ATOM 0 HA PRO A 26 35.710 -21.072 73.619 1.00 12.52 H new ATOM 0 HB2 PRO A 26 33.430 -22.201 72.985 1.00 15.84 H new ATOM 0 HB3 PRO A 26 34.425 -22.960 73.915 1.00 15.84 H new ATOM 0 HG2 PRO A 26 32.177 -21.470 74.716 1.00 21.66 H new ATOM 0 HG3 PRO A 26 32.622 -22.857 75.273 1.00 21.66 H new ATOM 0 HD2 PRO A 26 33.167 -20.774 76.630 1.00 13.39 H new ATOM 0 HD3 PRO A 26 34.197 -21.944 76.624 1.00 13.39 H new ATOM 184 N ALA A 27 34.541 -19.924 71.677 1.00 10.60 N ANISOU 184 N ALA A 27 2056 1018 954 67 24 300 N ATOM 185 CA ALA A 27 34.146 -18.872 70.745 1.00 10.46 C ANISOU 185 CA ALA A 27 1948 1040 987 50 33 260 C ATOM 186 C ALA A 27 32.635 -18.688 70.680 1.00 10.10 C ANISOU 186 C ALA A 27 1888 1022 927 -24 79 238 C ATOM 187 O ALA A 27 31.868 -19.658 70.664 1.00 10.97 O ANISOU 187 O ALA A 27 2053 1106 1007 -76 114 252 O ATOM 188 CB ALA A 27 34.707 -19.144 69.341 1.00 11.48 C ANISOU 188 CB ALA A 27 2055 1139 1167 77 31 257 C ATOM 0 H ALA A 27 34.961 -20.584 71.321 1.00 10.60 H new ATOM 0 HA ALA A 27 34.525 -18.046 71.083 1.00 10.46 H new ATOM 0 HB1 ALA A 27 34.433 -18.434 68.740 1.00 11.48 H new ATOM 0 HB2 ALA A 27 35.676 -19.178 69.380 1.00 11.48 H new ATOM 0 HB3 ALA A 27 34.367 -19.992 69.015 1.00 11.48 H new ATOM 189 N GLN A 28 32.223 -17.427 70.674 1.00 9.53 N ANISOU 189 N GLN A 28 1743 1005 874 -29 79 205 N ATOM 190 CA GLN A 28 30.860 -17.064 70.323 1.00 9.82 C ANISOU 190 CA GLN A 28 1739 1079 912 -83 118 178 C ATOM 191 C GLN A 28 30.982 -16.305 69.016 1.00 11.92 C ANISOU 191 C GLN A 28 1937 1355 1238 -64 107 154 C ATOM 192 O GLN A 28 31.632 -15.267 68.957 1.00 11.99 O ANISOU 192 O GLN A 28 1903 1378 1274 -23 77 139 O ATOM 193 CB GLN A 28 30.236 -16.185 71.410 1.00 9.58 C ANISOU 193 CB GLN A 28 1686 1104 850 -92 127 158 C ATOM 194 CG GLN A 28 30.275 -16.827 72.797 1.00 10.16 C ANISOU 194 CG GLN A 28 1833 1171 858 -106 133 184 C ATOM 195 CD GLN A 28 29.628 -15.968 73.871 1.00 19.33 C ANISOU 195 CD GLN A 28 2974 2388 1981 -115 149 160 C ATOM 196 OE1 GLN A 28 28.665 -15.239 73.610 1.00 13.34 O ANISOU 196 OE1 GLN A 28 2157 1678 1235 -132 176 127 O ATOM 197 NE2 GLN A 28 30.153 -16.053 75.087 1.00 15.04 N ANISOU 197 NE2 GLN A 28 2484 1841 1390 -99 131 176 N ATOM 0 H GLN A 28 32.726 -16.759 70.873 1.00 9.53 H new ATOM 0 HA GLN A 28 30.285 -17.841 70.239 1.00 9.82 H new ATOM 0 HB2 GLN A 28 30.704 -15.336 71.440 1.00 9.58 H new ATOM 0 HB3 GLN A 28 29.315 -15.993 71.174 1.00 9.58 H new ATOM 0 HG2 GLN A 28 29.825 -17.686 72.763 1.00 10.16 H new ATOM 0 HG3 GLN A 28 31.198 -17.000 73.041 1.00 10.16 H new ATOM 0 HE21 GLN A 28 30.824 -16.572 75.230 1.00 15.04 H new ATOM 0 HE22 GLN A 28 29.822 -15.589 75.731 1.00 15.04 H new ATOM 198 N THR A 29 30.396 -16.840 67.950 1.00 9.12 N ANISOU 198 N THR A 29 1577 988 898 -98 129 151 N ATOM 199 CA THR A 29 30.523 -16.212 66.642 1.00 8.34 C ANISOU 199 CA THR A 29 1423 895 850 -82 119 132 C ATOM 200 C THR A 29 29.342 -15.276 66.390 1.00 8.22 C ANISOU 200 C THR A 29 1343 938 842 -105 134 101 C ATOM 201 O THR A 29 28.183 -15.704 66.425 1.00 9.32 O ANISOU 201 O THR A 29 1478 1105 958 -158 165 95 O ATOM 202 CB THR A 29 30.575 -17.258 65.505 1.00 8.36 C ANISOU 202 CB THR A 29 1458 855 865 -101 130 142 C ATOM 203 OG1 THR A 29 31.708 -18.118 65.687 1.00 11.32 O ANISOU 203 OG1 THR A 29 1894 1173 1233 -65 116 170 O ATOM 204 CG2 THR A 29 30.682 -16.566 64.152 1.00 7.93 C ANISOU 204 CG2 THR A 29 1348 809 855 -86 120 123 C ATOM 0 H THR A 29 29.925 -17.559 67.963 1.00 9.12 H new ATOM 0 HA THR A 29 31.355 -15.713 66.644 1.00 8.34 H new ATOM 0 HB THR A 29 29.759 -17.782 65.530 1.00 8.36 H new ATOM 0 HG1 THR A 29 31.732 -18.685 65.068 1.00 11.32 H new ATOM 0 HG21 THR A 29 30.714 -17.233 63.449 1.00 7.93 H new ATOM 0 HG22 THR A 29 29.910 -15.993 64.019 1.00 7.93 H new ATOM 0 HG23 THR A 29 31.490 -16.030 64.125 1.00 7.93 H new ATOM 205 N LEU A 30 29.652 -14.000 66.164 1.00 8.80 N ANISOU 205 N LEU A 30 1367 1032 946 -65 111 81 N ATOM 206 CA LEU A 30 28.657 -12.984 65.826 1.00 7.81 C ANISOU 206 CA LEU A 30 1181 954 831 -66 119 53 C ATOM 207 C LEU A 30 28.978 -12.412 64.450 1.00 11.20 C ANISOU 207 C LEU A 30 1578 1373 1306 -45 101 45 C ATOM 208 O LEU A 30 30.140 -12.329 64.061 1.00 8.24 O ANISOU 208 O LEU A 30 1215 961 954 -18 78 56 O ATOM 209 CB LEU A 30 28.663 -11.846 66.859 1.00 7.88 C ANISOU 209 CB LEU A 30 1174 990 829 -35 110 34 C ATOM 210 CG LEU A 30 27.825 -12.006 68.132 1.00 11.66 C ANISOU 210 CG LEU A 30 1664 1507 1259 -56 139 28 C ATOM 211 CD1 LEU A 30 28.313 -13.159 68.992 1.00 8.61 C ANISOU 211 CD1 LEU A 30 1343 1091 835 -79 144 58 C ATOM 212 CD2 LEU A 30 27.827 -10.705 68.942 1.00 8.41 C ANISOU 212 CD2 LEU A 30 1237 1118 839 -17 129 2 C ATOM 0 H LEU A 30 30.456 -13.697 66.203 1.00 8.80 H new ATOM 0 HA LEU A 30 27.779 -13.396 65.825 1.00 7.81 H new ATOM 0 HB2 LEU A 30 29.583 -11.698 67.129 1.00 7.88 H new ATOM 0 HB3 LEU A 30 28.366 -11.039 66.410 1.00 7.88 H new ATOM 0 HG LEU A 30 26.917 -12.209 67.856 1.00 11.66 H new ATOM 0 HD11 LEU A 30 27.759 -13.228 69.786 1.00 8.61 H new ATOM 0 HD12 LEU A 30 28.258 -13.985 68.487 1.00 8.61 H new ATOM 0 HD13 LEU A 30 29.234 -13.001 69.253 1.00 8.61 H new ATOM 0 HD21 LEU A 30 27.293 -10.822 69.743 1.00 8.41 H new ATOM 0 HD22 LEU A 30 28.737 -10.479 69.190 1.00 8.41 H new ATOM 0 HD23 LEU A 30 27.452 -9.989 68.406 1.00 8.41 H new ATOM 213 N ASN A 31 27.945 -12.011 63.715 1.00 7.43 N ANISOU 213 N ASN A 31 1056 931 836 -57 110 27 N ATOM 214 CA ASN A 31 28.155 -11.434 62.396 1.00 8.86 C ANISOU 214 CA ASN A 31 1211 1102 1052 -39 92 22 C ATOM 215 C ASN A 31 28.147 -9.919 62.508 1.00 7.73 C ANISOU 215 C ASN A 31 1038 975 925 6 74 3 C ATOM 216 O ASN A 31 27.109 -9.319 62.776 1.00 8.84 O ANISOU 216 O ASN A 31 1145 1160 1055 15 83 -16 O ATOM 217 CB ASN A 31 27.085 -11.932 61.432 1.00 8.40 C ANISOU 217 CB ASN A 31 1128 1072 990 -77 106 16 C ATOM 218 CG ASN A 31 27.142 -13.448 61.240 1.00 11.28 C ANISOU 218 CG ASN A 31 1540 1409 1338 -128 124 33 C ATOM 219 OD1 ASN A 31 28.220 -14.045 61.271 1.00 10.32 O ANISOU 219 OD1 ASN A 31 1466 1234 1220 -116 119 51 O ATOM 220 ND2 ASN A 31 25.987 -14.068 61.050 1.00 11.38 N ANISOU 220 ND2 ASN A 31 1538 1457 1328 -183 144 27 N ATOM 0 H ASN A 31 27.123 -12.064 63.961 1.00 7.43 H new ATOM 0 HA ASN A 31 29.016 -11.711 62.045 1.00 8.86 H new ATOM 0 HB2 ASN A 31 26.209 -11.683 61.766 1.00 8.40 H new ATOM 0 HB3 ASN A 31 27.196 -11.494 60.574 1.00 8.40 H new ATOM 0 HD21 ASN A 31 25.970 -14.921 60.942 1.00 11.38 H new ATOM 0 HD22 ASN A 31 25.255 -13.618 61.035 1.00 11.38 H new ATOM 221 N LEU A 32 29.317 -9.306 62.353 1.00 9.18 N ANISOU 221 N LEU A 32 1235 1123 1132 35 49 8 N ATOM 222 CA LEU A 32 29.439 -7.867 62.565 1.00 6.79 C ANISOU 222 CA LEU A 32 921 820 839 71 30 -9 C ATOM 223 C LEU A 32 29.594 -7.107 61.259 1.00 11.19 C ANISOU 223 C LEU A 32 1465 1362 1426 86 14 -9 C ATOM 224 O LEU A 32 30.111 -7.624 60.264 1.00 8.38 O ANISOU 224 O LEU A 32 1113 986 1084 72 12 6 O ATOM 225 CB LEU A 32 30.617 -7.545 63.492 1.00 6.78 C ANISOU 225 CB LEU A 32 947 793 836 83 11 -5 C ATOM 226 CG LEU A 32 30.671 -8.335 64.803 1.00 9.73 C ANISOU 226 CG LEU A 32 1345 1176 1176 71 21 1 C ATOM 227 CD1 LEU A 32 31.849 -7.870 65.672 1.00 10.23 C ANISOU 227 CD1 LEU A 32 1430 1221 1236 85 -7 2 C ATOM 228 CD2 LEU A 32 29.345 -8.201 65.556 1.00 9.21 C ANISOU 228 CD2 LEU A 32 1268 1152 1079 67 47 -18 C ATOM 0 H LEU A 32 30.047 -9.701 62.127 1.00 9.18 H new ATOM 0 HA LEU A 32 28.614 -7.578 62.985 1.00 6.79 H new ATOM 0 HB2 LEU A 32 31.441 -7.702 63.006 1.00 6.78 H new ATOM 0 HB3 LEU A 32 30.589 -6.599 63.705 1.00 6.78 H new ATOM 0 HG LEU A 32 30.810 -9.272 64.594 1.00 9.73 H new ATOM 0 HD11 LEU A 32 31.865 -8.382 66.496 1.00 10.23 H new ATOM 0 HD12 LEU A 32 32.680 -8.006 65.191 1.00 10.23 H new ATOM 0 HD13 LEU A 32 31.747 -6.928 65.879 1.00 10.23 H new ATOM 0 HD21 LEU A 32 29.390 -8.705 66.384 1.00 9.21 H new ATOM 0 HD22 LEU A 32 29.179 -7.266 65.755 1.00 9.21 H new ATOM 0 HD23 LEU A 32 28.624 -8.547 65.007 1.00 9.21 H new ATOM 229 N ASP A 33 29.139 -5.862 61.295 1.00 6.75 N ANISOU 229 N ASP A 33 893 805 865 118 4 -28 N ATOM 230 CA ASP A 33 29.255 -4.934 60.189 1.00 6.68 C ANISOU 230 CA ASP A 33 884 777 879 138 -14 -27 C ATOM 231 C ASP A 33 30.572 -4.182 60.348 1.00 9.62 C ANISOU 231 C ASP A 33 1286 1105 1266 140 -35 -23 C ATOM 232 O ASP A 33 30.689 -3.314 61.214 1.00 8.53 O ANISOU 232 O ASP A 33 1166 956 1120 158 -45 -39 O ATOM 233 CB ASP A 33 28.074 -3.963 60.272 1.00 9.91 C ANISOU 233 CB ASP A 33 1276 1212 1279 178 -16 -49 C ATOM 234 CG ASP A 33 27.957 -3.066 59.067 1.00 12.68 C ANISOU 234 CG ASP A 33 1631 1544 1645 203 -35 -45 C ATOM 235 OD1 ASP A 33 28.939 -2.944 58.308 1.00 10.82 O ANISOU 235 OD1 ASP A 33 1417 1268 1426 187 -47 -28 O ATOM 236 OD2 ASP A 33 26.867 -2.479 58.884 1.00 12.73 O ANISOU 236 OD2 ASP A 33 1616 1578 1643 242 -38 -58 O ATOM 0 H ASP A 33 28.745 -5.528 61.982 1.00 6.75 H new ATOM 0 HA ASP A 33 29.244 -5.387 59.331 1.00 6.68 H new ATOM 0 HB2 ASP A 33 27.253 -4.470 60.372 1.00 9.91 H new ATOM 0 HB3 ASP A 33 28.168 -3.416 61.067 1.00 9.91 H new ATOM 237 N PHE A 34 31.558 -4.534 59.526 1.00 6.39 N ANISOU 237 N PHE A 34 881 673 875 120 -40 -3 N ATOM 238 CA PHE A 34 32.863 -3.865 59.544 1.00 9.23 C ANISOU 238 CA PHE A 34 1258 1000 1249 112 -58 3 C ATOM 239 C PHE A 34 32.724 -2.436 59.019 1.00 6.56 C ANISOU 239 C PHE A 34 939 635 917 127 -74 -5 C ATOM 240 O PHE A 34 32.340 -2.214 57.869 1.00 9.35 O ANISOU 240 O PHE A 34 1293 983 1278 133 -73 3 O ATOM 241 CB PHE A 34 33.897 -4.640 58.717 1.00 8.15 C ANISOU 241 CB PHE A 34 1113 856 1128 91 -52 25 C ATOM 242 CG PHE A 34 34.428 -5.882 59.396 1.00 9.79 C ANISOU 242 CG PHE A 34 1315 1075 1329 84 -44 34 C ATOM 243 CD1 PHE A 34 33.727 -6.491 60.428 1.00 10.21 C ANISOU 243 CD1 PHE A 34 1373 1146 1361 87 -36 28 C ATOM 244 CD2 PHE A 34 35.645 -6.427 59.004 1.00 6.16 C ANISOU 244 CD2 PHE A 34 847 609 883 76 -43 51 C ATOM 245 CE1 PHE A 34 34.228 -7.637 61.053 1.00 9.34 C ANISOU 245 CE1 PHE A 34 1270 1038 1239 83 -31 41 C ATOM 246 CE2 PHE A 34 36.160 -7.568 59.623 1.00 8.12 C ANISOU 246 CE2 PHE A 34 1096 864 1123 82 -39 62 C ATOM 247 CZ PHE A 34 35.449 -8.174 60.651 1.00 9.30 C ANISOU 247 CZ PHE A 34 1261 1022 1249 85 -34 58 C ATOM 0 H PHE A 34 31.493 -5.164 58.944 1.00 6.39 H new ATOM 0 HA PHE A 34 33.177 -3.838 60.461 1.00 9.23 H new ATOM 0 HB2 PHE A 34 33.496 -4.893 57.871 1.00 8.15 H new ATOM 0 HB3 PHE A 34 34.641 -4.051 58.514 1.00 8.15 H new ATOM 0 HD1 PHE A 34 32.915 -6.133 60.707 1.00 10.21 H new ATOM 0 HD2 PHE A 34 36.125 -6.024 58.317 1.00 6.16 H new ATOM 0 HE1 PHE A 34 33.746 -8.041 61.738 1.00 9.34 H new ATOM 0 HE2 PHE A 34 36.975 -7.921 59.348 1.00 8.12 H new ATOM 0 HZ PHE A 34 35.786 -8.934 61.068 1.00 9.30 H new ATOM 248 N ASP A 35 33.050 -1.464 59.860 1.00 6.78 N ANISOU 248 N ASP A 35 994 642 941 132 -90 -20 N ATOM 249 CA ASP A 35 32.689 -0.078 59.583 1.00 9.76 C ANISOU 249 CA ASP A 35 1406 987 1318 155 -104 -32 C ATOM 250 C ASP A 35 33.914 0.833 59.617 1.00 7.55 C ANISOU 250 C ASP A 35 1160 664 1047 123 -123 -30 C ATOM 251 O ASP A 35 34.367 1.232 60.696 1.00 8.11 O ANISOU 251 O ASP A 35 1250 725 1107 113 -136 -46 O ATOM 252 CB ASP A 35 31.649 0.379 60.619 1.00 7.34 C ANISOU 252 CB ASP A 35 1109 690 989 196 -101 -60 C ATOM 253 CG ASP A 35 31.210 1.816 60.431 1.00 10.37 C ANISOU 253 CG ASP A 35 1538 1034 1369 233 -115 -76 C ATOM 254 OD1 ASP A 35 31.411 2.383 59.331 1.00 11.97 O ANISOU 254 OD1 ASP A 35 1761 1203 1583 231 -125 -60 O ATOM 255 OD2 ASP A 35 30.645 2.374 61.399 1.00 10.62 O ANISOU 255 OD2 ASP A 35 1591 1065 1381 267 -114 -103 O ATOM 0 H ASP A 35 33.479 -1.584 60.596 1.00 6.78 H new ATOM 0 HA ASP A 35 32.313 -0.021 58.691 1.00 9.76 H new ATOM 0 HB2 ASP A 35 30.872 -0.200 60.566 1.00 7.34 H new ATOM 0 HB3 ASP A 35 32.020 0.274 61.509 1.00 7.34 H new ATOM 256 N THR A 36 34.451 1.184 58.450 1.00 10.12 N ANISOU 256 N THR A 36 1494 965 1385 102 -126 -10 N ATOM 257 CA THR A 36 35.632 2.064 58.437 1.00 7.53 C ANISOU 257 CA THR A 36 1197 601 1065 59 -142 -7 C ATOM 258 C THR A 36 35.293 3.526 58.767 1.00 8.00 C ANISOU 258 C THR A 36 1323 605 1111 73 -160 -26 C ATOM 259 O THR A 36 36.169 4.402 58.744 1.00 10.02 O ANISOU 259 O THR A 36 1618 822 1368 30 -175 -26 O ATOM 260 CB THR A 36 36.408 1.994 57.110 1.00 9.49 C ANISOU 260 CB THR A 36 1436 843 1328 23 -134 20 C ATOM 261 OG1 THR A 36 35.579 2.473 56.038 1.00 8.10 O ANISOU 261 OG1 THR A 36 1289 643 1147 49 -131 30 O ATOM 262 CG2 THR A 36 36.862 0.563 56.821 1.00 7.74 C ANISOU 262 CG2 THR A 36 1157 669 1116 14 -115 36 C ATOM 0 H THR A 36 34.164 0.937 57.678 1.00 10.12 H new ATOM 0 HA THR A 36 36.204 1.723 59.142 1.00 7.53 H new ATOM 0 HB THR A 36 37.196 2.554 57.183 1.00 9.49 H new ATOM 0 HG1 THR A 36 35.844 3.232 55.796 1.00 8.10 H new ATOM 0 HG21 THR A 36 37.348 0.541 55.982 1.00 7.74 H new ATOM 0 HG22 THR A 36 37.440 0.256 57.537 1.00 7.74 H new ATOM 0 HG23 THR A 36 36.087 -0.017 56.760 1.00 7.74 H new ATOM 263 N GLY A 37 34.023 3.794 59.069 1.00 8.09 N ANISOU 263 N GLY A 37 1351 615 1109 132 -158 -44 N ATOM 264 CA GLY A 37 33.598 5.119 59.469 1.00 8.61 C ANISOU 264 CA GLY A 37 1485 627 1159 162 -172 -67 C ATOM 265 C GLY A 37 33.373 5.314 60.963 1.00 9.81 C ANISOU 265 C GLY A 37 1654 784 1291 180 -176 -101 C ATOM 266 O GLY A 37 32.937 6.387 61.384 1.00 12.04 O ANISOU 266 O GLY A 37 1999 1020 1556 214 -185 -126 O ATOM 0 H GLY A 37 33.391 3.211 59.046 1.00 8.09 H new ATOM 0 HA2 GLY A 37 34.264 5.758 59.172 1.00 8.61 H new ATOM 0 HA3 GLY A 37 32.774 5.331 59.003 1.00 8.61 H new ATOM 267 N SER A 38 33.665 4.290 61.763 1.00 8.53 N ANISOU 267 N SER A 38 1442 672 1126 161 -169 -104 N ATOM 268 CA SER A 38 33.574 4.413 63.217 1.00 8.76 C ANISOU 268 CA SER A 38 1490 709 1130 169 -172 -134 C ATOM 269 C SER A 38 34.644 3.568 63.884 1.00 8.92 C ANISOU 269 C SER A 38 1476 763 1151 117 -181 -126 C ATOM 270 O SER A 38 35.396 2.854 63.212 1.00 8.56 O ANISOU 270 O SER A 38 1388 737 1126 83 -180 -97 O ATOM 271 CB SER A 38 32.172 4.063 63.745 1.00 8.95 C ANISOU 271 CB SER A 38 1493 772 1135 233 -149 -153 C ATOM 272 OG SER A 38 31.863 2.678 63.602 1.00 12.12 O ANISOU 272 OG SER A 38 1827 1235 1543 228 -128 -134 O ATOM 0 H SER A 38 33.917 3.517 61.484 1.00 8.53 H new ATOM 0 HA SER A 38 33.728 5.343 63.444 1.00 8.76 H new ATOM 0 HB2 SER A 38 32.112 4.310 64.681 1.00 8.95 H new ATOM 0 HB3 SER A 38 31.510 4.589 63.270 1.00 8.95 H new ATOM 0 HG SER A 38 31.165 2.592 63.142 1.00 12.12 H new ATOM 273 N SER A 39 34.720 3.641 65.207 1.00 10.34 N ANISOU 273 N SER A 39 1675 950 1302 116 -189 -150 N ATOM 274 CA SER A 39 35.878 3.075 65.893 1.00 8.79 C ANISOU 274 CA SER A 39 1458 781 1102 67 -208 -143 C ATOM 275 C SER A 39 35.496 2.362 67.175 1.00 9.09 C ANISOU 275 C SER A 39 1488 859 1107 86 -202 -155 C ATOM 276 O SER A 39 36.305 2.253 68.105 1.00 11.04 O ANISOU 276 O SER A 39 1741 1119 1335 55 -226 -161 O ATOM 277 CB SER A 39 36.897 4.181 66.186 1.00 9.28 C ANISOU 277 CB SER A 39 1568 801 1158 17 -242 -157 C ATOM 278 OG SER A 39 37.197 4.905 65.005 1.00 9.35 O ANISOU 278 OG SER A 39 1594 767 1191 -6 -245 -144 O ATOM 0 H SER A 39 34.130 4.004 65.717 1.00 10.34 H new ATOM 0 HA SER A 39 36.272 2.412 65.305 1.00 8.79 H new ATOM 0 HB2 SER A 39 36.544 4.783 66.860 1.00 9.28 H new ATOM 0 HB3 SER A 39 37.709 3.793 66.549 1.00 9.28 H new ATOM 0 HG SER A 39 37.911 5.335 65.113 1.00 9.35 H new ATOM 279 N ASP A 40 34.257 1.889 67.228 1.00 8.67 N ANISOU 279 N ASP A 40 1419 829 1044 132 -170 -160 N ATOM 280 CA ASP A 40 33.810 1.096 68.362 1.00 10.21 C ANISOU 280 CA ASP A 40 1606 1067 1206 145 -155 -167 C ATOM 281 C ASP A 40 33.465 -0.308 67.882 1.00 13.11 C ANISOU 281 C ASP A 40 1920 1476 1586 147 -131 -136 C ATOM 282 O ASP A 40 32.834 -0.473 66.836 1.00 11.59 O ANISOU 282 O ASP A 40 1701 1286 1417 162 -112 -125 O ATOM 283 CB ASP A 40 32.582 1.734 69.022 1.00 10.73 C ANISOU 283 CB ASP A 40 1703 1133 1240 193 -132 -203 C ATOM 284 CG ASP A 40 32.922 2.979 69.837 1.00 12.93 C ANISOU 284 CG ASP A 40 2051 1370 1492 192 -155 -240 C ATOM 285 OD1 ASP A 40 33.606 3.889 69.325 1.00 12.66 O ANISOU 285 OD1 ASP A 40 2050 1284 1475 170 -182 -243 O ATOM 286 OD2 ASP A 40 32.493 3.052 71.004 1.00 12.55 O ANISOU 286 OD2 ASP A 40 2030 1337 1400 210 -144 -267 O ATOM 0 H ASP A 40 33.662 2.016 66.620 1.00 8.67 H new ATOM 0 HA ASP A 40 34.522 1.057 69.019 1.00 10.21 H new ATOM 0 HB2 ASP A 40 31.938 1.969 68.336 1.00 10.73 H new ATOM 0 HB3 ASP A 40 32.156 1.082 69.600 1.00 10.73 H new ATOM 287 N LEU A 41 33.912 -1.317 68.623 1.00 9.60 N ANISOU 287 N LEU A 41 1464 1059 1123 129 -133 -121 N ATOM 288 CA LEU A 41 33.439 -2.679 68.414 1.00 10.20 C ANISOU 288 CA LEU A 41 1508 1168 1200 130 -106 -96 C ATOM 289 C LEU A 41 32.361 -2.934 69.455 1.00 11.48 C ANISOU 289 C LEU A 41 1682 1360 1318 147 -78 -113 C ATOM 290 O LEU A 41 32.666 -3.128 70.633 1.00 8.87 O ANISOU 290 O LEU A 41 1378 1040 950 139 -86 -117 O ATOM 291 CB LEU A 41 34.585 -3.692 68.573 1.00 12.69 C ANISOU 291 CB LEU A 41 1812 1491 1518 108 -125 -65 C ATOM 292 CG LEU A 41 34.389 -5.124 68.035 1.00 12.58 C ANISOU 292 CG LEU A 41 1776 1492 1514 105 -102 -34 C ATOM 293 CD1 LEU A 41 35.702 -5.912 68.144 1.00 12.87 C ANISOU 293 CD1 LEU A 41 1806 1529 1556 97 -127 -7 C ATOM 294 CD2 LEU A 41 33.262 -5.893 68.739 1.00 9.57 C ANISOU 294 CD2 LEU A 41 1406 1136 1096 108 -69 -35 C ATOM 0 H LEU A 41 34.491 -1.233 69.253 1.00 9.60 H new ATOM 0 HA LEU A 41 33.091 -2.784 67.515 1.00 10.20 H new ATOM 0 HB2 LEU A 41 35.369 -3.320 68.139 1.00 12.69 H new ATOM 0 HB3 LEU A 41 34.789 -3.759 69.519 1.00 12.69 H new ATOM 0 HG LEU A 41 34.126 -5.033 67.106 1.00 12.58 H new ATOM 0 HD11 LEU A 41 35.570 -6.811 67.804 1.00 12.87 H new ATOM 0 HD12 LEU A 41 36.390 -5.468 67.624 1.00 12.87 H new ATOM 0 HD13 LEU A 41 35.977 -5.956 69.073 1.00 12.87 H new ATOM 0 HD21 LEU A 41 33.189 -6.782 68.358 1.00 9.57 H new ATOM 0 HD22 LEU A 41 33.460 -5.963 69.686 1.00 9.57 H new ATOM 0 HD23 LEU A 41 32.423 -5.420 68.619 1.00 9.57 H new ATOM 295 N TRP A 42 31.104 -2.929 69.022 1.00 9.09 N ANISOU 295 N TRP A 42 1359 1077 1017 168 -44 -122 N ATOM 296 CA TRP A 42 30.000 -3.146 69.944 1.00 8.54 C ANISOU 296 CA TRP A 42 1290 1047 906 181 -10 -139 C ATOM 297 C TRP A 42 29.115 -4.288 69.464 1.00 8.99 C ANISOU 297 C TRP A 42 1308 1143 966 166 25 -120 C ATOM 298 O TRP A 42 29.019 -4.548 68.262 1.00 9.86 O ANISOU 298 O TRP A 42 1388 1247 1111 161 24 -105 O ATOM 299 CB TRP A 42 29.194 -1.859 70.187 1.00 10.66 C ANISOU 299 CB TRP A 42 1571 1316 1163 226 0 -180 C ATOM 300 CG TRP A 42 28.295 -1.400 69.060 1.00 11.96 C ANISOU 300 CG TRP A 42 1700 1486 1356 259 13 -186 C ATOM 301 CD1 TRP A 42 28.573 -0.436 68.130 1.00 8.80 C ANISOU 301 CD1 TRP A 42 1311 1042 988 279 -11 -189 C ATOM 302 CD2 TRP A 42 26.955 -1.849 68.779 1.00 9.00 C ANISOU 302 CD2 TRP A 42 1275 1168 977 274 50 -189 C ATOM 303 NE1 TRP A 42 27.501 -0.266 67.285 1.00 10.98 N ANISOU 303 NE1 TRP A 42 1550 1343 1279 314 5 -193 N ATOM 304 CE2 TRP A 42 26.497 -1.123 67.658 1.00 12.14 C ANISOU 304 CE2 TRP A 42 1653 1556 1405 311 42 -193 C ATOM 305 CE3 TRP A 42 26.105 -2.795 69.363 1.00 10.27 C ANISOU 305 CE3 TRP A 42 1405 1390 1107 256 89 -187 C ATOM 306 CZ2 TRP A 42 25.221 -1.314 67.108 1.00 13.26 C ANISOU 306 CZ2 TRP A 42 1736 1753 1548 334 66 -197 C ATOM 307 CZ3 TRP A 42 24.832 -2.984 68.813 1.00 12.19 C ANISOU 307 CZ3 TRP A 42 1589 1689 1353 270 118 -192 C ATOM 308 CH2 TRP A 42 24.410 -2.248 67.696 1.00 12.59 C ANISOU 308 CH2 TRP A 42 1613 1736 1437 311 104 -198 C ATOM 0 H TRP A 42 30.872 -2.803 68.204 1.00 9.09 H new ATOM 0 HA TRP A 42 30.375 -3.402 70.801 1.00 8.54 H new ATOM 0 HB2 TRP A 42 28.647 -1.988 70.978 1.00 10.66 H new ATOM 0 HB3 TRP A 42 29.818 -1.144 70.388 1.00 10.66 H new ATOM 0 HD1 TRP A 42 29.372 0.037 68.077 1.00 8.80 H new ATOM 0 HE1 TRP A 42 27.466 0.288 66.628 1.00 10.98 H new ATOM 0 HE3 TRP A 42 26.381 -3.288 70.102 1.00 10.27 H new ATOM 0 HZ2 TRP A 42 24.936 -0.824 66.371 1.00 13.26 H new ATOM 0 HZ3 TRP A 42 24.257 -3.607 69.194 1.00 12.19 H new ATOM 0 HH2 TRP A 42 23.561 -2.397 67.347 1.00 12.59 H new ATOM 309 N VAL A 43 28.489 -4.976 70.412 1.00 8.69 N ANISOU 309 N VAL A 43 1274 1143 886 153 55 -121 N ATOM 310 CA VAL A 43 27.693 -6.150 70.099 1.00 8.68 C ANISOU 310 CA VAL A 43 1243 1176 879 123 89 -102 C ATOM 311 C VAL A 43 26.373 -6.187 70.853 1.00 12.07 C ANISOU 311 C VAL A 43 1653 1665 1267 125 135 -123 C ATOM 312 O VAL A 43 26.271 -5.716 71.991 1.00 12.03 O ANISOU 312 O VAL A 43 1674 1674 1223 141 145 -144 O ATOM 313 CB VAL A 43 28.467 -7.445 70.446 1.00 8.58 C ANISOU 313 CB VAL A 43 1262 1145 852 84 83 -66 C ATOM 314 CG1 VAL A 43 29.672 -7.621 69.522 1.00 10.57 C ANISOU 314 CG1 VAL A 43 1517 1351 1147 84 47 -43 C ATOM 315 CG2 VAL A 43 28.915 -7.427 71.911 1.00 9.25 C ANISOU 315 CG2 VAL A 43 1395 1231 889 84 77 -69 C ATOM 0 H VAL A 43 28.515 -4.776 71.248 1.00 8.69 H new ATOM 0 HA VAL A 43 27.510 -6.097 69.148 1.00 8.68 H new ATOM 0 HB VAL A 43 27.870 -8.198 70.315 1.00 8.58 H new ATOM 0 HG11 VAL A 43 30.143 -8.436 69.755 1.00 10.57 H new ATOM 0 HG12 VAL A 43 29.369 -7.675 68.602 1.00 10.57 H new ATOM 0 HG13 VAL A 43 30.270 -6.864 69.622 1.00 10.57 H new ATOM 0 HG21 VAL A 43 29.398 -8.244 72.112 1.00 9.25 H new ATOM 0 HG22 VAL A 43 29.494 -6.664 72.063 1.00 9.25 H new ATOM 0 HG23 VAL A 43 28.137 -7.362 72.487 1.00 9.25 H new ATOM 316 N PHE A 44 25.355 -6.751 70.215 1.00 9.25 N ANISOU 316 N PHE A 44 1247 1350 916 105 165 -118 N ATOM 317 CA PHE A 44 24.179 -7.187 70.954 1.00 10.20 C ANISOU 317 CA PHE A 44 1344 1538 993 85 215 -128 C ATOM 318 C PHE A 44 24.647 -8.199 71.995 1.00 12.82 C ANISOU 318 C PHE A 44 1731 1859 1282 39 226 -104 C ATOM 319 O PHE A 44 25.561 -8.981 71.739 1.00 10.93 O ANISOU 319 O PHE A 44 1527 1571 1054 13 201 -72 O ATOM 320 CB PHE A 44 23.164 -7.838 70.023 1.00 9.86 C ANISOU 320 CB PHE A 44 1240 1542 964 52 238 -121 C ATOM 321 CG PHE A 44 22.320 -6.854 69.271 1.00 9.99 C ANISOU 321 CG PHE A 44 1194 1598 1006 103 237 -149 C ATOM 322 CD1 PHE A 44 22.821 -6.195 68.157 1.00 12.15 C ANISOU 322 CD1 PHE A 44 1464 1826 1324 138 197 -147 C ATOM 323 CD2 PHE A 44 21.018 -6.596 69.675 1.00 10.74 C ANISOU 323 CD2 PHE A 44 1231 1776 1074 118 278 -174 C ATOM 324 CE1 PHE A 44 22.035 -5.286 67.459 1.00 12.43 C ANISOU 324 CE1 PHE A 44 1450 1893 1378 191 192 -168 C ATOM 325 CE2 PHE A 44 20.231 -5.694 68.984 1.00 11.63 C ANISOU 325 CE2 PHE A 44 1283 1927 1207 176 274 -198 C ATOM 326 CZ PHE A 44 20.739 -5.039 67.874 1.00 13.42 C ANISOU 326 CZ PHE A 44 1516 2102 1479 214 229 -194 C ATOM 0 H PHE A 44 25.325 -6.889 69.367 1.00 9.25 H new ATOM 0 HA PHE A 44 23.748 -6.426 71.374 1.00 10.20 H new ATOM 0 HB2 PHE A 44 23.634 -8.401 69.388 1.00 9.86 H new ATOM 0 HB3 PHE A 44 22.586 -8.418 70.543 1.00 9.86 H new ATOM 0 HD1 PHE A 44 23.691 -6.363 67.875 1.00 12.15 H new ATOM 0 HD2 PHE A 44 20.671 -7.034 70.418 1.00 10.74 H new ATOM 0 HE1 PHE A 44 22.379 -4.845 66.716 1.00 12.43 H new ATOM 0 HE2 PHE A 44 19.360 -5.527 69.264 1.00 11.63 H new ATOM 0 HZ PHE A 44 20.209 -4.433 67.408 1.00 13.42 H new ATOM 327 N SER A 45 24.026 -8.180 73.168 1.00 10.61 N ANISOU 327 N SER A 45 1460 1624 949 34 263 -119 N ATOM 328 CA SER A 45 24.513 -9.004 74.261 1.00 10.72 C ANISOU 328 CA SER A 45 1537 1623 913 -3 269 -95 C ATOM 329 C SER A 45 23.397 -9.446 75.190 1.00 11.42 C ANISOU 329 C SER A 45 1617 1779 941 -38 330 -102 C ATOM 330 O SER A 45 22.239 -9.041 75.043 1.00 14.73 O ANISOU 330 O SER A 45 1972 2265 1358 -29 369 -130 O ATOM 331 CB SER A 45 25.578 -8.259 75.065 1.00 12.33 C ANISOU 331 CB SER A 45 1796 1787 1103 34 230 -105 C ATOM 332 OG SER A 45 24.984 -7.237 75.849 1.00 15.19 O ANISOU 332 OG SER A 45 2154 2186 1433 72 253 -147 O ATOM 0 H SER A 45 23.332 -7.705 73.349 1.00 10.61 H new ATOM 0 HA SER A 45 24.901 -9.797 73.860 1.00 10.72 H new ATOM 0 HB2 SER A 45 26.051 -8.881 75.639 1.00 12.33 H new ATOM 0 HB3 SER A 45 26.234 -7.873 74.464 1.00 12.33 H new ATOM 0 HG SER A 45 25.576 -6.853 76.304 1.00 15.19 H new ATOM 333 N SER A 46 23.775 -10.263 76.169 1.00 11.69 N ANISOU 333 N SER A 46 1718 1800 925 -76 338 -76 N ATOM 334 CA SER A 46 22.871 -10.685 77.227 1.00 17.02 C ANISOU 334 CA SER A 46 2402 2534 1532 -116 397 -79 C ATOM 335 C SER A 46 22.398 -9.508 78.077 1.00 14.53 C ANISOU 335 C SER A 46 2072 2266 1183 -64 420 -126 C ATOM 336 O SER A 46 21.453 -9.647 78.850 1.00 19.77 O ANISOU 336 O SER A 46 2722 2998 1793 -87 479 -138 O ATOM 337 CB SER A 46 23.551 -11.732 78.114 1.00 14.80 C ANISOU 337 CB SER A 46 2211 2213 1198 -159 392 -37 C ATOM 338 OG SER A 46 24.752 -11.224 78.668 1.00 15.97 O ANISOU 338 OG SER A 46 2415 2313 1340 -113 339 -37 O ATOM 0 H SER A 46 24.568 -10.588 76.236 1.00 11.69 H new ATOM 0 HA SER A 46 22.090 -11.075 76.805 1.00 17.02 H new ATOM 0 HB2 SER A 46 22.949 -11.998 78.827 1.00 14.80 H new ATOM 0 HB3 SER A 46 23.742 -12.528 77.593 1.00 14.80 H new ATOM 0 HG SER A 46 25.075 -11.787 79.202 1.00 15.97 H new ATOM 339 N GLU A 47 23.050 -8.354 77.921 1.00 15.11 N ANISOU 339 N GLU A 47 2151 2303 1286 2 376 -152 N ATOM 340 CA GLU A 47 22.688 -7.145 78.663 1.00 12.99 C ANISOU 340 CA GLU A 47 1882 2064 988 59 393 -201 C ATOM 341 C GLU A 47 21.758 -6.210 77.879 1.00 20.20 C ANISOU 341 C GLU A 47 2716 3019 1941 113 411 -240 C ATOM 342 O GLU A 47 21.265 -5.225 78.423 1.00 16.86 O ANISOU 342 O GLU A 47 2288 2625 1493 169 434 -284 O ATOM 343 CB GLU A 47 23.946 -6.385 79.099 1.00 18.26 C ANISOU 343 CB GLU A 47 2618 2665 1655 96 334 -211 C ATOM 344 CG GLU A 47 24.877 -7.179 79.998 1.00 19.71 C ANISOU 344 CG GLU A 47 2880 2818 1793 56 310 -177 C ATOM 345 CD GLU A 47 26.184 -6.450 80.295 1.00 26.65 C ANISOU 345 CD GLU A 47 3812 3638 2677 85 243 -185 C ATOM 346 OE1 GLU A 47 26.651 -5.682 79.430 1.00 19.10 O ANISOU 346 OE1 GLU A 47 2833 2645 1780 116 204 -199 O ATOM 347 OE2 GLU A 47 26.747 -6.648 81.394 1.00 23.35 O ANISOU 347 OE2 GLU A 47 3459 3213 2199 72 227 -178 O ATOM 0 H GLU A 47 23.713 -8.251 77.383 1.00 15.11 H new ATOM 0 HA GLU A 47 22.196 -7.443 79.444 1.00 12.99 H new ATOM 0 HB2 GLU A 47 24.435 -6.110 78.308 1.00 18.26 H new ATOM 0 HB3 GLU A 47 23.678 -5.576 79.563 1.00 18.26 H new ATOM 0 HG2 GLU A 47 24.424 -7.373 80.833 1.00 19.71 H new ATOM 0 HG3 GLU A 47 25.076 -8.031 79.578 1.00 19.71 H new ATOM 348 N THR A 48 21.514 -6.518 76.609 1.00 12.65 N ANISOU 348 N THR A 48 1701 2063 1041 102 400 -224 N ATOM 349 CA THR A 48 20.708 -5.636 75.766 1.00 13.80 C ANISOU 349 CA THR A 48 1773 2243 1226 159 406 -255 C ATOM 350 C THR A 48 19.241 -5.707 76.159 1.00 23.06 C ANISOU 350 C THR A 48 2876 3525 2363 160 475 -278 C ATOM 351 O THR A 48 18.687 -6.805 76.302 1.00 17.93 O ANISOU 351 O THR A 48 2200 2925 1689 86 514 -255 O ATOM 352 CB THR A 48 20.839 -5.987 74.270 1.00 13.62 C ANISOU 352 CB THR A 48 1709 2197 1267 143 373 -229 C ATOM 353 OG1 THR A 48 22.222 -6.037 73.902 1.00 12.07 O ANISOU 353 OG1 THR A 48 1572 1910 1103 137 316 -205 O ATOM 354 CG2 THR A 48 20.122 -4.936 73.410 1.00 12.23 C ANISOU 354 CG2 THR A 48 1468 2049 1129 214 368 -260 C ATOM 0 H THR A 48 21.803 -7.227 76.217 1.00 12.65 H new ATOM 0 HA THR A 48 21.045 -4.737 75.904 1.00 13.80 H new ATOM 0 HB THR A 48 20.430 -6.853 74.119 1.00 13.62 H new ATOM 0 HG1 THR A 48 22.660 -5.506 74.384 1.00 12.07 H new ATOM 0 HG21 THR A 48 20.212 -5.169 72.473 1.00 12.23 H new ATOM 0 HG22 THR A 48 19.182 -4.910 73.647 1.00 12.23 H new ATOM 0 HG23 THR A 48 20.519 -4.065 73.566 1.00 12.23 H new ATOM 355 N THR A 49 18.630 -4.536 76.343 1.00 14.00 N ANISOU 355 N THR A 49 1699 2411 1210 242 492 -324 N ATOM 356 CA THR A 49 17.197 -4.427 76.639 1.00 14.87 C ANISOU 356 CA THR A 49 1725 2635 1290 262 558 -353 C ATOM 357 C THR A 49 16.424 -5.400 75.753 1.00 18.87 C ANISOU 357 C THR A 49 2143 3207 1820 197 575 -326 C ATOM 358 O THR A 49 16.515 -5.332 74.527 1.00 22.83 O ANISOU 358 O THR A 49 2611 3685 2378 207 534 -314 O ATOM 359 CB THR A 49 16.680 -3.004 76.362 1.00 25.83 C ANISOU 359 CB THR A 49 3079 4038 2696 379 556 -400 C ATOM 360 OG1 THR A 49 17.445 -2.052 77.114 1.00 22.91 O ANISOU 360 OG1 THR A 49 2802 3596 2305 434 536 -428 O ATOM 361 CG2 THR A 49 15.214 -2.886 76.734 1.00 31.32 C ANISOU 361 CG2 THR A 49 3680 4863 3358 409 627 -432 C ATOM 0 H THR A 49 19.035 -3.779 76.300 1.00 14.00 H new ATOM 0 HA THR A 49 17.066 -4.634 77.577 1.00 14.87 H new ATOM 0 HB THR A 49 16.777 -2.821 75.414 1.00 25.83 H new ATOM 0 HG1 THR A 49 18.207 -1.970 76.770 1.00 22.91 H new ATOM 0 HG21 THR A 49 14.906 -1.984 76.553 1.00 31.32 H new ATOM 0 HG22 THR A 49 14.695 -3.516 76.210 1.00 31.32 H new ATOM 0 HG23 THR A 49 15.103 -3.082 77.677 1.00 31.32 H new ATOM 362 N ALA A 50 15.696 -6.316 76.386 1.00 24.30 N ANISOU 362 N ALA A 50 2800 3972 2459 124 634 -317 N ATOM 363 CA ALA A 50 15.049 -7.431 75.697 1.00 29.44 C ANISOU 363 CA ALA A 50 3386 4679 3122 34 651 -289 C ATOM 364 C ALA A 50 14.168 -7.016 74.522 1.00 25.64 C ANISOU 364 C ALA A 50 2792 4264 2686 73 642 -305 C ATOM 365 O ALA A 50 14.201 -7.641 73.463 1.00 25.18 O ANISOU 365 O ALA A 50 2710 4193 2666 23 612 -279 O ATOM 366 CB ALA A 50 14.246 -8.269 76.691 1.00 29.54 C ANISOU 366 CB ALA A 50 3379 4779 3065 -46 727 -284 C ATOM 0 H ALA A 50 15.562 -6.308 77.235 1.00 24.30 H new ATOM 0 HA ALA A 50 15.767 -7.960 75.314 1.00 29.44 H new ATOM 0 HB1 ALA A 50 13.821 -9.006 76.224 1.00 29.54 H new ATOM 0 HB2 ALA A 50 14.840 -8.619 77.374 1.00 29.54 H new ATOM 0 HB3 ALA A 50 13.567 -7.715 77.107 1.00 29.54 H new ATOM 367 N SER A 51 13.382 -5.960 74.711 1.00 26.13 N ANISOU 367 N SER A 51 2790 4394 2743 168 664 -348 N ATOM 368 CA SER A 51 12.472 -5.486 73.674 1.00 29.89 C ANISOU 368 CA SER A 51 3168 4922 3268 216 643 -358 C ATOM 369 C SER A 51 13.215 -4.911 72.471 1.00 27.74 C ANISOU 369 C SER A 51 2912 4580 3048 274 577 -355 C ATOM 370 O SER A 51 12.624 -4.693 71.414 1.00 20.80 O ANISOU 370 O SER A 51 1956 3744 2204 302 554 -356 O ATOM 371 CB SER A 51 11.534 -4.424 74.244 1.00 30.91 C ANISOU 371 CB SER A 51 3256 5096 3391 311 664 -393 C ATOM 372 OG SER A 51 12.277 -3.318 74.721 1.00 22.87 O ANISOU 372 OG SER A 51 2320 4004 2368 406 649 -420 O ATOM 0 H SER A 51 13.361 -5.501 75.438 1.00 26.13 H new ATOM 0 HA SER A 51 11.962 -6.253 73.370 1.00 29.89 H new ATOM 0 HB2 SER A 51 10.911 -4.132 73.560 1.00 30.91 H new ATOM 0 HB3 SER A 51 11.007 -4.802 74.965 1.00 30.91 H new ATOM 0 HG SER A 51 12.534 -3.470 75.506 1.00 22.87 H new ATOM 373 N GLU A 52 14.511 -4.665 72.632 1.00 18.62 N ANISOU 373 N GLU A 52 1871 3300 1905 284 537 -342 N ATOM 374 CA GLU A 52 15.312 -4.078 71.559 1.00 17.20 C ANISOU 374 CA GLU A 52 1728 3027 1781 329 468 -332 C ATOM 375 C GLU A 52 16.137 -5.116 70.800 1.00 20.60 C ANISOU 375 C GLU A 52 2196 3392 2240 239 431 -287 C ATOM 376 O GLU A 52 16.906 -4.772 69.900 1.00 17.39 O ANISOU 376 O GLU A 52 1825 2907 1877 262 377 -273 O ATOM 377 CB GLU A 52 16.197 -2.948 72.105 1.00 18.36 C ANISOU 377 CB GLU A 52 1967 3081 1926 407 443 -352 C ATOM 378 CG GLU A 52 15.365 -1.782 72.661 1.00 20.23 C ANISOU 378 CG GLU A 52 2175 3372 2140 516 474 -402 C ATOM 379 CD GLU A 52 16.202 -0.660 73.250 1.00 24.15 C ANISOU 379 CD GLU A 52 2774 3773 2628 585 452 -427 C ATOM 380 OE1 GLU A 52 17.438 -0.816 73.350 1.00 18.63 O ANISOU 380 OE1 GLU A 52 2163 2978 1939 541 414 -406 O ATOM 381 OE2 GLU A 52 15.614 0.381 73.615 1.00 25.95 O ANISOU 381 OE2 GLU A 52 2996 4025 2840 684 472 -469 O ATOM 0 H GLU A 52 14.947 -4.830 73.355 1.00 18.62 H new ATOM 0 HA GLU A 52 14.693 -3.702 70.914 1.00 17.20 H new ATOM 0 HB2 GLU A 52 16.771 -3.297 72.805 1.00 18.36 H new ATOM 0 HB3 GLU A 52 16.777 -2.623 71.399 1.00 18.36 H new ATOM 0 HG2 GLU A 52 14.811 -1.423 71.950 1.00 20.23 H new ATOM 0 HG3 GLU A 52 14.765 -2.120 73.344 1.00 20.23 H new ATOM 382 N VAL A 53 15.963 -6.383 71.163 1.00 14.89 N ANISOU 382 N VAL A 53 1470 2700 1489 137 463 -264 N ATOM 383 CA VAL A 53 16.588 -7.485 70.439 1.00 13.00 C ANISOU 383 CA VAL A 53 1264 2405 1270 52 436 -223 C ATOM 384 C VAL A 53 15.514 -8.182 69.619 1.00 23.85 C ANISOU 384 C VAL A 53 2547 3866 2650 -6 451 -218 C ATOM 385 O VAL A 53 14.478 -8.566 70.155 1.00 24.42 O ANISOU 385 O VAL A 53 2556 4038 2686 -46 503 -229 O ATOM 386 CB VAL A 53 17.222 -8.512 71.399 1.00 13.69 C ANISOU 386 CB VAL A 53 1432 2451 1319 -26 456 -197 C ATOM 387 CG1 VAL A 53 17.929 -9.622 70.607 1.00 14.97 C ANISOU 387 CG1 VAL A 53 1639 2545 1504 -99 427 -157 C ATOM 388 CG2 VAL A 53 18.194 -7.829 72.348 1.00 18.38 C ANISOU 388 CG2 VAL A 53 2108 2977 1897 27 442 -205 C ATOM 0 H VAL A 53 15.482 -6.627 71.833 1.00 14.89 H new ATOM 0 HA VAL A 53 17.291 -7.126 69.876 1.00 13.00 H new ATOM 0 HB VAL A 53 16.515 -8.915 71.927 1.00 13.69 H new ATOM 0 HG11 VAL A 53 18.322 -10.259 71.223 1.00 14.97 H new ATOM 0 HG12 VAL A 53 17.286 -10.076 70.040 1.00 14.97 H new ATOM 0 HG13 VAL A 53 18.626 -9.233 70.056 1.00 14.97 H new ATOM 0 HG21 VAL A 53 18.583 -8.489 72.944 1.00 18.38 H new ATOM 0 HG22 VAL A 53 18.898 -7.401 71.837 1.00 18.38 H new ATOM 0 HG23 VAL A 53 17.722 -7.161 72.870 1.00 18.38 H new ATOM 389 N ASP A 54 15.754 -8.336 68.321 1.00 15.82 N ANISOU 389 N ASP A 54 1521 2815 1674 -15 406 -203 N ATOM 390 CA ASP A 54 14.794 -9.005 67.452 1.00 26.76 C ANISOU 390 CA ASP A 54 2824 4279 3064 -77 411 -199 C ATOM 391 C ASP A 54 15.510 -9.916 66.452 1.00 20.16 C ANISOU 391 C ASP A 54 2041 3367 2252 -144 375 -167 C ATOM 392 O ASP A 54 15.596 -9.611 65.261 1.00 19.35 O ANISOU 392 O ASP A 54 1920 3249 2185 -117 332 -165 O ATOM 393 CB ASP A 54 13.900 -7.974 66.745 1.00 18.86 C ANISOU 393 CB ASP A 54 1724 3356 2084 9 394 -226 C ATOM 394 CG ASP A 54 12.764 -8.615 65.964 1.00 33.29 C ANISOU 394 CG ASP A 54 3450 5290 3908 -55 399 -226 C ATOM 395 OD1 ASP A 54 12.462 -9.801 66.210 1.00 29.18 O ANISOU 395 OD1 ASP A 54 2927 4800 3361 -171 431 -212 O ATOM 396 OD2 ASP A 54 12.170 -7.925 65.110 1.00 41.00 O ANISOU 396 OD2 ASP A 54 4352 6320 4906 8 370 -239 O ATOM 0 H ASP A 54 16.466 -8.061 67.925 1.00 15.82 H new ATOM 0 HA ASP A 54 14.221 -9.567 67.996 1.00 26.76 H new ATOM 0 HB2 ASP A 54 13.531 -7.366 67.405 1.00 18.86 H new ATOM 0 HB3 ASP A 54 14.442 -7.442 66.141 1.00 18.86 H new ATOM 397 N GLY A 55 16.050 -11.023 66.957 1.00 13.55 N ANISOU 397 N GLY A 55 1278 2478 1392 -227 392 -142 N ATOM 398 CA GLY A 55 16.632 -12.044 66.101 1.00 18.59 C ANISOU 398 CA GLY A 55 1970 3049 2045 -296 368 -114 C ATOM 399 C GLY A 55 18.148 -12.074 66.047 1.00 20.21 C ANISOU 399 C GLY A 55 2278 3130 2273 -266 335 -93 C ATOM 400 O GLY A 55 18.741 -12.994 65.474 1.00 13.58 O ANISOU 400 O GLY A 55 1494 2225 1440 -316 320 -69 O ATOM 0 H GLY A 55 16.088 -11.199 67.798 1.00 13.55 H new ATOM 0 HA2 GLY A 55 16.319 -12.911 66.402 1.00 18.59 H new ATOM 0 HA3 GLY A 55 16.295 -11.917 65.200 1.00 18.59 H new ATOM 401 N GLN A 56 18.788 -11.070 66.632 1.00 13.56 N ANISOU 401 N GLN A 56 1460 2254 1439 -183 322 -102 N ATOM 402 CA GLN A 56 20.244 -11.017 66.621 1.00 10.31 C ANISOU 402 CA GLN A 56 1132 1738 1048 -155 288 -84 C ATOM 403 C GLN A 56 20.851 -12.119 67.484 1.00 10.67 C ANISOU 403 C GLN A 56 1257 1736 1061 -211 306 -57 C ATOM 404 O GLN A 56 20.242 -12.576 68.455 1.00 14.43 O ANISOU 404 O GLN A 56 1735 2256 1494 -254 347 -57 O ATOM 405 CB GLN A 56 20.750 -9.658 67.121 1.00 10.44 C ANISOU 405 CB GLN A 56 1158 1734 1076 -64 270 -103 C ATOM 406 CG GLN A 56 20.449 -8.477 66.198 1.00 10.03 C ANISOU 406 CG GLN A 56 1055 1698 1059 5 242 -123 C ATOM 407 CD GLN A 56 19.034 -7.938 66.374 1.00 10.72 C ANISOU 407 CD GLN A 56 1057 1887 1130 33 270 -152 C ATOM 408 OE1 GLN A 56 18.301 -8.349 67.278 1.00 15.45 O ANISOU 408 OE1 GLN A 56 1630 2549 1691 0 314 -160 O ATOM 409 NE2 GLN A 56 18.651 -7.006 65.509 1.00 13.18 N ANISOU 409 NE2 GLN A 56 1323 2216 1468 96 244 -166 N ATOM 0 H GLN A 56 18.404 -10.416 67.037 1.00 13.56 H new ATOM 0 HA GLN A 56 20.522 -11.147 65.701 1.00 10.31 H new ATOM 0 HB2 GLN A 56 20.356 -9.481 67.989 1.00 10.44 H new ATOM 0 HB3 GLN A 56 21.710 -9.713 67.251 1.00 10.44 H new ATOM 0 HG2 GLN A 56 21.086 -7.766 66.371 1.00 10.03 H new ATOM 0 HG3 GLN A 56 20.574 -8.752 65.276 1.00 10.03 H new ATOM 0 HE21 GLN A 56 19.190 -6.745 64.892 1.00 13.18 H new ATOM 0 HE22 GLN A 56 17.864 -6.664 65.566 1.00 13.18 H new ATOM 410 N THR A 57 22.058 -12.544 67.120 1.00 9.83 N ANISOU 410 N THR A 57 1217 1542 974 -208 276 -33 N ATOM 411 CA THR A 57 22.846 -13.412 67.989 1.00 9.85 C ANISOU 411 CA THR A 57 1304 1491 949 -235 282 -6 C ATOM 412 C THR A 57 23.534 -12.529 69.021 1.00 13.33 C ANISOU 412 C THR A 57 1767 1916 1380 -174 268 -14 C ATOM 413 O THR A 57 24.071 -11.478 68.671 1.00 12.09 O ANISOU 413 O THR A 57 1594 1742 1257 -112 236 -29 O ATOM 414 CB THR A 57 23.896 -14.193 67.193 1.00 10.12 C ANISOU 414 CB THR A 57 1395 1443 1007 -243 254 20 C ATOM 415 OG1 THR A 57 23.231 -15.136 66.343 1.00 14.40 O ANISOU 415 OG1 THR A 57 1932 1993 1547 -310 269 26 O ATOM 416 CG2 THR A 57 24.865 -14.942 68.138 1.00 13.58 C ANISOU 416 CG2 THR A 57 1920 1821 1417 -246 250 49 C ATOM 0 H THR A 57 22.438 -12.342 66.375 1.00 9.83 H new ATOM 0 HA THR A 57 22.264 -14.060 68.415 1.00 9.85 H new ATOM 0 HB THR A 57 24.413 -13.568 66.662 1.00 10.12 H new ATOM 0 HG1 THR A 57 22.818 -15.696 66.814 1.00 14.40 H new ATOM 0 HG21 THR A 57 25.519 -15.428 67.612 1.00 13.58 H new ATOM 0 HG22 THR A 57 25.320 -14.303 68.708 1.00 13.58 H new ATOM 0 HG23 THR A 57 24.364 -15.566 68.687 1.00 13.58 H new ATOM 417 N ILE A 58 23.503 -12.940 70.287 1.00 10.14 N ANISOU 417 N ILE A 58 1406 1520 928 -196 292 -5 N ATOM 418 CA ILE A 58 24.050 -12.103 71.351 1.00 11.64 C ANISOU 418 CA ILE A 58 1619 1703 1099 -145 281 -17 C ATOM 419 C ILE A 58 25.337 -12.662 71.936 1.00 17.20 C ANISOU 419 C ILE A 58 2405 2340 1789 -140 252 14 C ATOM 420 O ILE A 58 25.540 -13.872 71.977 1.00 14.64 O ANISOU 420 O ILE A 58 2132 1985 1448 -184 260 46 O ATOM 421 CB ILE A 58 23.039 -11.892 72.495 1.00 14.11 C ANISOU 421 CB ILE A 58 1915 2087 1358 -159 329 -36 C ATOM 422 CG1 ILE A 58 22.668 -13.229 73.147 1.00 14.30 C ANISOU 422 CG1 ILE A 58 1985 2118 1330 -238 367 -7 C ATOM 423 CG2 ILE A 58 21.798 -11.172 71.974 1.00 16.82 C ANISOU 423 CG2 ILE A 58 2167 2509 1717 -144 353 -70 C ATOM 424 CD1 ILE A 58 21.755 -13.092 74.363 1.00 17.70 C ANISOU 424 CD1 ILE A 58 2406 2620 1700 -259 420 -22 C ATOM 0 H ILE A 58 23.174 -13.690 70.548 1.00 10.14 H new ATOM 0 HA ILE A 58 24.245 -11.252 70.929 1.00 11.64 H new ATOM 0 HB ILE A 58 23.451 -11.337 73.175 1.00 14.11 H new ATOM 0 HG12 ILE A 58 22.231 -13.790 72.487 1.00 14.30 H new ATOM 0 HG13 ILE A 58 23.481 -13.685 73.414 1.00 14.30 H new ATOM 0 HG21 ILE A 58 21.169 -11.044 72.701 1.00 16.82 H new ATOM 0 HG22 ILE A 58 22.053 -10.309 71.612 1.00 16.82 H new ATOM 0 HG23 ILE A 58 21.383 -11.705 71.278 1.00 16.82 H new ATOM 0 HD11 ILE A 58 21.562 -13.972 74.723 1.00 17.70 H new ATOM 0 HD12 ILE A 58 22.196 -12.555 75.040 1.00 17.70 H new ATOM 0 HD13 ILE A 58 20.927 -12.662 74.099 1.00 17.70 H new ATOM 425 N TYR A 59 26.198 -11.755 72.386 1.00 9.83 N ANISOU 425 N TYR A 59 1486 1386 863 -86 218 3 N ATOM 426 CA TYR A 59 27.387 -12.107 73.147 1.00 9.84 C ANISOU 426 CA TYR A 59 1554 1342 843 -74 186 27 C ATOM 427 C TYR A 59 26.997 -12.216 74.617 1.00 17.45 C ANISOU 427 C TYR A 59 2556 2336 1738 -90 213 26 C ATOM 428 O TYR A 59 26.345 -11.323 75.150 1.00 11.66 O ANISOU 428 O TYR A 59 1796 1648 985 -74 233 -8 O ATOM 429 CB TYR A 59 28.431 -11.008 72.947 1.00 9.46 C ANISOU 429 CB TYR A 59 1496 1268 831 -20 137 12 C ATOM 430 CG TYR A 59 29.629 -11.027 73.876 1.00 9.58 C ANISOU 430 CG TYR A 59 1563 1256 822 -1 97 27 C ATOM 431 CD1 TYR A 59 30.458 -12.139 73.959 1.00 12.20 C ANISOU 431 CD1 TYR A 59 1940 1550 1145 -8 78 67 C ATOM 432 CD2 TYR A 59 29.960 -9.903 74.620 1.00 11.93 C ANISOU 432 CD2 TYR A 59 1865 1563 1104 28 75 -1 C ATOM 433 CE1 TYR A 59 31.578 -12.139 74.782 1.00 11.72 C ANISOU 433 CE1 TYR A 59 1918 1473 1062 16 35 82 C ATOM 434 CE2 TYR A 59 31.073 -9.889 75.446 1.00 11.31 C ANISOU 434 CE2 TYR A 59 1829 1467 1001 41 32 11 C ATOM 435 CZ TYR A 59 31.878 -11.007 75.523 1.00 11.19 C ANISOU 435 CZ TYR A 59 1849 1425 979 36 11 54 C ATOM 436 OH TYR A 59 32.981 -10.981 76.349 1.00 12.30 O ANISOU 436 OH TYR A 59 2024 1557 1094 54 -37 66 O ATOM 0 H TYR A 59 26.106 -10.910 72.256 1.00 9.83 H new ATOM 0 HA TYR A 59 27.758 -12.953 72.852 1.00 9.84 H new ATOM 0 HB2 TYR A 59 28.755 -11.061 72.034 1.00 9.46 H new ATOM 0 HB3 TYR A 59 27.989 -10.150 73.041 1.00 9.46 H new ATOM 0 HD1 TYR A 59 30.260 -12.896 73.456 1.00 12.20 H new ATOM 0 HD2 TYR A 59 29.425 -9.145 74.563 1.00 11.93 H new ATOM 0 HE1 TYR A 59 32.121 -12.892 74.835 1.00 11.72 H new ATOM 0 HE2 TYR A 59 31.276 -9.131 75.945 1.00 11.31 H new ATOM 0 HH TYR A 59 33.524 -11.576 76.110 1.00 12.30 H new ATOM 437 N THR A 60 27.360 -13.325 75.257 1.00 11.90 N ANISOU 437 N THR A 60 1921 1606 994 -120 215 63 N ATOM 438 CA THR A 60 27.073 -13.518 76.674 1.00 13.65 C ANISOU 438 CA THR A 60 2193 1852 1142 -139 239 68 C ATOM 439 C THR A 60 28.401 -13.611 77.427 1.00 11.41 C ANISOU 439 C THR A 60 1973 1526 836 -106 186 90 C ATOM 440 O THR A 60 29.023 -14.676 77.466 1.00 13.53 O ANISOU 440 O THR A 60 2298 1750 1093 -115 169 132 O ATOM 441 CB THR A 60 26.263 -14.812 76.921 1.00 13.97 C ANISOU 441 CB THR A 60 2269 1899 1138 -211 289 97 C ATOM 442 OG1 THR A 60 25.029 -14.767 76.188 1.00 15.25 O ANISOU 442 OG1 THR A 60 2362 2111 1320 -248 334 76 O ATOM 443 CG2 THR A 60 25.956 -14.979 78.411 1.00 18.00 C ANISOU 443 CG2 THR A 60 2836 2438 1566 -233 318 104 C ATOM 0 H THR A 60 27.775 -13.980 74.886 1.00 11.90 H new ATOM 0 HA THR A 60 26.543 -12.768 76.987 1.00 13.65 H new ATOM 0 HB THR A 60 26.795 -15.565 76.620 1.00 13.97 H new ATOM 0 HG1 THR A 60 24.412 -15.092 76.657 1.00 15.25 H new ATOM 0 HG21 THR A 60 25.448 -15.794 78.548 1.00 18.00 H new ATOM 0 HG22 THR A 60 26.787 -15.029 78.909 1.00 18.00 H new ATOM 0 HG23 THR A 60 25.438 -14.220 78.722 1.00 18.00 H new ATOM 444 N PRO A 61 28.853 -12.490 78.005 1.00 13.68 N ANISOU 444 N PRO A 61 2253 1827 1117 -65 158 62 N ATOM 445 CA PRO A 61 30.187 -12.492 78.616 1.00 16.69 C ANISOU 445 CA PRO A 61 2682 2177 1482 -35 98 81 C ATOM 446 C PRO A 61 30.316 -13.496 79.763 1.00 16.44 C ANISOU 446 C PRO A 61 2734 2138 1375 -56 102 119 C ATOM 447 O PRO A 61 31.401 -14.028 79.976 1.00 13.46 O ANISOU 447 O PRO A 61 2398 1726 990 -34 54 152 O ATOM 448 CB PRO A 61 30.371 -11.045 79.103 1.00 19.10 C ANISOU 448 CB PRO A 61 2968 2505 1783 -3 76 35 C ATOM 449 CG PRO A 61 29.003 -10.439 79.093 1.00 18.40 C ANISOU 449 CG PRO A 61 2842 2463 1687 -13 135 -4 C ATOM 450 CD PRO A 61 28.231 -11.154 78.017 1.00 11.35 C ANISOU 450 CD PRO A 61 1908 1574 833 -42 173 10 C ATOM 0 HA PRO A 61 30.870 -12.769 77.986 1.00 16.69 H new ATOM 0 HB2 PRO A 61 30.756 -11.023 79.993 1.00 19.10 H new ATOM 0 HB3 PRO A 61 30.974 -10.555 78.522 1.00 19.10 H new ATOM 0 HG2 PRO A 61 28.572 -10.544 79.956 1.00 18.40 H new ATOM 0 HG3 PRO A 61 29.048 -9.487 78.912 1.00 18.40 H new ATOM 0 HD2 PRO A 61 27.284 -11.199 78.223 1.00 11.35 H new ATOM 0 HD3 PRO A 61 28.314 -10.710 77.159 1.00 11.35 H new ATOM 451 N SER A 62 29.222 -13.781 80.463 1.00 14.83 N ANISOU 451 N SER A 62 2553 1969 1114 -98 161 116 N ATOM 452 CA SER A 62 29.269 -14.701 81.597 1.00 15.05 C ANISOU 452 CA SER A 62 2669 1989 1060 -125 170 154 C ATOM 453 C SER A 62 29.621 -16.128 81.171 1.00 15.15 C ANISOU 453 C SER A 62 2735 1945 1077 -143 164 209 C ATOM 454 O SER A 62 30.033 -16.940 81.999 1.00 18.73 O ANISOU 454 O SER A 62 3274 2371 1471 -148 150 250 O ATOM 455 CB SER A 62 27.945 -14.691 82.367 1.00 19.01 C ANISOU 455 CB SER A 62 3178 2546 1498 -174 244 138 C ATOM 456 OG SER A 62 26.893 -15.235 81.589 1.00 18.72 O ANISOU 456 OG SER A 62 3103 2525 1486 -224 300 139 O ATOM 0 H SER A 62 28.444 -13.453 80.299 1.00 14.83 H new ATOM 0 HA SER A 62 29.976 -14.387 82.182 1.00 15.05 H new ATOM 0 HB2 SER A 62 28.041 -15.201 83.186 1.00 19.01 H new ATOM 0 HB3 SER A 62 27.724 -13.782 82.623 1.00 19.01 H new ATOM 0 HG SER A 62 26.517 -14.621 81.157 1.00 18.72 H new ATOM 457 N LYS A 63 29.464 -16.421 79.883 1.00 12.87 N ANISOU 457 N LYS A 63 2401 1634 855 -151 172 209 N ATOM 458 CA LYS A 63 29.791 -17.741 79.344 1.00 12.94 C ANISOU 458 CA LYS A 63 2464 1582 873 -164 168 255 C ATOM 459 C LYS A 63 31.191 -17.797 78.730 1.00 16.34 C ANISOU 459 C LYS A 63 2890 1966 1354 -98 101 270 C ATOM 460 O LYS A 63 31.600 -18.831 78.201 1.00 16.90 O ANISOU 460 O LYS A 63 3003 1980 1437 -92 93 305 O ATOM 461 CB LYS A 63 28.759 -18.174 78.301 1.00 14.37 C ANISOU 461 CB LYS A 63 2607 1765 1086 -220 219 246 C ATOM 462 CG LYS A 63 27.380 -18.456 78.888 1.00 20.86 C ANISOU 462 CG LYS A 63 3440 2634 1853 -298 289 242 C ATOM 0 H LYS A 63 29.167 -15.864 79.299 1.00 12.87 H new ATOM 0 HA LYS A 63 29.773 -18.354 80.096 1.00 12.94 H new ATOM 0 HB2 LYS A 63 28.680 -17.480 77.628 1.00 14.37 H new ATOM 0 HB3 LYS A 63 29.080 -18.971 77.851 1.00 14.37 H new ATOM 463 N SER A 64 31.922 -16.693 78.808 1.00 14.80 N ANISOU 463 N SER A 64 2644 1795 1186 -49 56 244 N ATOM 464 CA SER A 64 33.282 -16.651 78.285 1.00 13.71 C ANISOU 464 CA SER A 64 2488 1628 1093 10 -6 256 C ATOM 465 C SER A 64 34.301 -16.624 79.413 1.00 19.17 C ANISOU 465 C SER A 64 3223 2323 1737 50 -62 276 C ATOM 466 O SER A 64 34.300 -15.711 80.240 1.00 13.98 O ANISOU 466 O SER A 64 2557 1706 1050 50 -76 250 O ATOM 467 CB SER A 64 33.487 -15.435 77.376 1.00 14.55 C ANISOU 467 CB SER A 64 2501 1757 1270 30 -21 213 C ATOM 468 OG SER A 64 34.858 -15.303 77.047 1.00 11.42 O ANISOU 468 OG SER A 64 2082 1346 909 81 -81 224 O ATOM 0 H SER A 64 31.650 -15.957 79.160 1.00 14.80 H new ATOM 0 HA SER A 64 33.415 -17.457 77.762 1.00 13.71 H new ATOM 0 HB2 SER A 64 32.960 -15.534 76.567 1.00 14.55 H new ATOM 0 HB3 SER A 64 33.175 -14.632 77.822 1.00 14.55 H new ATOM 0 HG SER A 64 34.996 -14.541 76.722 1.00 11.42 H new ATOM 469 N THR A 65 35.185 -17.616 79.437 1.00 13.22 N ANISOU 469 N THR A 65 2520 1529 976 87 -96 321 N ATOM 470 CA THR A 65 36.178 -17.700 80.503 1.00 13.42 C ANISOU 470 CA THR A 65 2587 1561 951 129 -156 346 C ATOM 471 C THR A 65 37.236 -16.605 80.412 1.00 18.42 C ANISOU 471 C THR A 65 3144 2232 1623 169 -218 319 C ATOM 472 O THR A 65 37.919 -16.326 81.386 1.00 17.33 O ANISOU 472 O THR A 65 3025 2120 1441 191 -270 325 O ATOM 473 CB THR A 65 36.859 -19.084 80.550 1.00 16.09 C ANISOU 473 CB THR A 65 3000 1844 1269 171 -180 404 C ATOM 474 OG1 THR A 65 37.430 -19.383 79.271 1.00 20.16 O ANISOU 474 OG1 THR A 65 3471 2331 1857 208 -188 407 O ATOM 475 CG2 THR A 65 35.841 -20.159 80.913 1.00 23.16 C ANISOU 475 CG2 THR A 65 3994 2698 2107 120 -123 435 C ATOM 0 H THR A 65 35.227 -18.245 78.852 1.00 13.22 H new ATOM 0 HA THR A 65 35.685 -17.568 81.328 1.00 13.42 H new ATOM 0 HB THR A 65 37.557 -19.067 81.223 1.00 16.09 H new ATOM 0 HG1 THR A 65 37.801 -20.136 79.299 1.00 20.16 H new ATOM 0 HG21 THR A 65 36.279 -21.024 80.940 1.00 23.16 H new ATOM 0 HG22 THR A 65 35.460 -19.963 81.783 1.00 23.16 H new ATOM 0 HG23 THR A 65 35.136 -20.175 80.247 1.00 23.16 H new ATOM 476 N THR A 66 37.355 -15.971 79.249 1.00 12.68 N ANISOU 476 N THR A 66 2334 1510 973 172 -214 290 N ATOM 477 CA THR A 66 38.358 -14.924 79.060 1.00 12.24 C ANISOU 477 CA THR A 66 2207 1489 956 198 -268 264 C ATOM 478 C THR A 66 37.769 -13.505 79.128 1.00 14.85 C ANISOU 478 C THR A 66 2496 1852 1296 161 -253 210 C ATOM 479 O THR A 66 38.496 -12.516 78.983 1.00 15.78 O ANISOU 479 O THR A 66 2562 1992 1443 168 -294 184 O ATOM 480 CB THR A 66 39.077 -15.090 77.717 1.00 12.87 C ANISOU 480 CB THR A 66 2226 1554 1113 229 -278 269 C ATOM 481 OG1 THR A 66 38.107 -15.411 76.714 1.00 13.48 O ANISOU 481 OG1 THR A 66 2298 1600 1223 201 -217 262 O ATOM 482 CG2 THR A 66 40.102 -16.224 77.793 1.00 16.23 C ANISOU 482 CG2 THR A 66 2680 1959 1528 289 -316 318 C ATOM 0 H THR A 66 36.867 -16.130 78.559 1.00 12.68 H new ATOM 0 HA THR A 66 38.984 -15.027 79.794 1.00 12.24 H new ATOM 0 HB THR A 66 39.537 -14.264 77.500 1.00 12.87 H new ATOM 0 HG1 THR A 66 37.888 -14.713 76.302 1.00 13.48 H new ATOM 0 HG21 THR A 66 40.547 -16.316 76.936 1.00 16.23 H new ATOM 0 HG22 THR A 66 40.758 -16.022 78.478 1.00 16.23 H new ATOM 0 HG23 THR A 66 39.651 -17.054 78.013 1.00 16.23 H new ATOM 483 N ALA A 67 36.464 -13.404 79.357 1.00 14.18 N ANISOU 483 N ALA A 67 2435 1768 1185 122 -194 192 N ATOM 484 CA ALA A 67 35.813 -12.093 79.466 1.00 11.88 C ANISOU 484 CA ALA A 67 2113 1504 898 99 -176 140 C ATOM 485 C ALA A 67 36.084 -11.436 80.821 1.00 15.76 C ANISOU 485 C ALA A 67 2640 2024 1324 98 -208 122 C ATOM 486 O ALA A 67 35.969 -12.066 81.869 1.00 13.31 O ANISOU 486 O ALA A 67 2395 1719 942 93 -208 146 O ATOM 487 CB ALA A 67 34.314 -12.219 79.240 1.00 11.50 C ANISOU 487 CB ALA A 67 2066 1459 843 65 -101 125 C ATOM 0 H ALA A 67 35.936 -14.076 79.453 1.00 14.18 H new ATOM 0 HA ALA A 67 36.192 -11.525 78.777 1.00 11.88 H new ATOM 0 HB1 ALA A 67 33.901 -11.345 79.316 1.00 11.50 H new ATOM 0 HB2 ALA A 67 34.149 -12.579 78.354 1.00 11.50 H new ATOM 0 HB3 ALA A 67 33.935 -12.814 79.906 1.00 11.50 H new ATOM 488 N LYS A 68 36.424 -10.155 80.800 1.00 12.98 N ANISOU 488 N LYS A 68 2254 1686 990 98 -236 80 N ATOM 489 CA LYS A 68 36.633 -9.426 82.044 1.00 13.34 C ANISOU 489 CA LYS A 68 2339 1757 972 91 -266 55 C ATOM 490 C LYS A 68 35.929 -8.083 81.945 1.00 16.28 C ANISOU 490 C LYS A 68 2696 2134 1355 78 -238 -4 C ATOM 491 O LYS A 68 36.097 -7.366 80.963 1.00 13.90 O ANISOU 491 O LYS A 68 2343 1819 1119 80 -244 -25 O ATOM 492 CB LYS A 68 38.127 -9.223 82.305 1.00 19.47 C ANISOU 492 CB LYS A 68 3102 2545 1750 105 -350 65 C ATOM 0 H LYS A 68 36.538 -9.692 80.084 1.00 12.98 H new ATOM 0 HA LYS A 68 36.268 -9.936 82.784 1.00 13.34 H new ATOM 493 N LEU A 69 35.118 -7.748 82.942 1.00 13.26 N ANISOU 493 N LEU A 69 2361 1769 906 68 -206 -30 N ATOM 494 CA LEU A 69 34.444 -6.452 82.925 1.00 13.34 C ANISOU 494 CA LEU A 69 2366 1782 921 68 -180 -89 C ATOM 495 C LEU A 69 35.493 -5.358 83.044 1.00 13.04 C ANISOU 495 C LEU A 69 2328 1734 893 65 -246 -119 C ATOM 496 O LEU A 69 36.380 -5.437 83.899 1.00 13.94 O ANISOU 496 O LEU A 69 2475 1861 960 57 -302 -110 O ATOM 497 CB LEU A 69 33.443 -6.342 84.078 1.00 15.35 C ANISOU 497 CB LEU A 69 2674 2063 1093 63 -131 -113 C ATOM 498 CG LEU A 69 32.762 -4.980 84.256 1.00 15.32 C ANISOU 498 CG LEU A 69 2677 2062 1080 76 -103 -178 C ATOM 499 CD1 LEU A 69 31.664 -4.776 83.236 1.00 16.84 C ANISOU 499 CD1 LEU A 69 2814 2255 1328 91 -42 -193 C ATOM 500 CD2 LEU A 69 32.224 -4.839 85.676 1.00 29.33 C ANISOU 500 CD2 LEU A 69 4520 3867 2756 72 -75 -203 C ATOM 0 H LEU A 69 34.946 -8.243 83.624 1.00 13.26 H new ATOM 0 HA LEU A 69 33.953 -6.358 82.094 1.00 13.34 H new ATOM 0 HB2 LEU A 69 32.754 -7.013 83.949 1.00 15.35 H new ATOM 0 HB3 LEU A 69 33.903 -6.563 84.903 1.00 15.35 H new ATOM 0 HG LEU A 69 33.426 -4.288 84.109 1.00 15.32 H new ATOM 0 HD11 LEU A 69 31.252 -3.908 83.373 1.00 16.84 H new ATOM 0 HD12 LEU A 69 32.040 -4.818 82.343 1.00 16.84 H new ATOM 0 HD13 LEU A 69 30.995 -5.471 83.338 1.00 16.84 H new ATOM 0 HD21 LEU A 69 31.796 -3.974 85.776 1.00 29.33 H new ATOM 0 HD22 LEU A 69 31.577 -5.541 85.848 1.00 29.33 H new ATOM 0 HD23 LEU A 69 32.956 -4.912 86.308 1.00 29.33 H new ATOM 501 N LEU A 70 35.401 -4.344 82.183 1.00 12.70 N ANISOU 501 N LEU A 70 2250 1668 906 69 -242 -152 N ATOM 502 CA LEU A 70 36.291 -3.190 82.275 1.00 12.92 C ANISOU 502 CA LEU A 70 2286 1681 941 54 -299 -186 C ATOM 503 C LEU A 70 35.648 -2.193 83.232 1.00 14.47 C ANISOU 503 C LEU A 70 2547 1876 1076 56 -280 -242 C ATOM 504 O LEU A 70 34.766 -1.417 82.849 1.00 13.38 O ANISOU 504 O LEU A 70 2410 1719 956 75 -236 -279 O ATOM 505 CB LEU A 70 36.534 -2.572 80.892 1.00 12.38 C ANISOU 505 CB LEU A 70 2163 1581 958 53 -303 -192 C ATOM 506 CG LEU A 70 37.573 -1.447 80.797 1.00 12.61 C ANISOU 506 CG LEU A 70 2197 1591 1003 24 -363 -220 C ATOM 507 CD1 LEU A 70 38.942 -1.918 81.291 1.00 19.29 C ANISOU 507 CD1 LEU A 70 3031 2467 1832 1 -434 -192 C ATOM 508 CD2 LEU A 70 37.666 -0.900 79.380 1.00 12.62 C ANISOU 508 CD2 LEU A 70 2152 1560 1084 22 -356 -221 C ATOM 0 H LEU A 70 34.831 -4.306 81.540 1.00 12.70 H new ATOM 0 HA LEU A 70 37.161 -3.456 82.611 1.00 12.92 H new ATOM 0 HB2 LEU A 70 36.804 -3.282 80.289 1.00 12.38 H new ATOM 0 HB3 LEU A 70 35.688 -2.228 80.564 1.00 12.38 H new ATOM 0 HG LEU A 70 37.278 -0.726 81.375 1.00 12.61 H new ATOM 0 HD11 LEU A 70 39.579 -1.190 81.221 1.00 19.29 H new ATOM 0 HD12 LEU A 70 38.873 -2.199 82.217 1.00 19.29 H new ATOM 0 HD13 LEU A 70 39.243 -2.664 80.749 1.00 19.29 H new ATOM 0 HD21 LEU A 70 38.328 -0.192 79.349 1.00 12.62 H new ATOM 0 HD22 LEU A 70 37.926 -1.612 78.774 1.00 12.62 H new ATOM 0 HD23 LEU A 70 36.803 -0.547 79.112 1.00 12.62 H new ATOM 509 N SER A 71 36.097 -2.243 84.482 1.00 14.13 N ANISOU 509 N SER A 71 2559 1852 957 42 -315 -247 N ATOM 510 CA SER A 71 35.431 -1.571 85.587 1.00 14.78 C ANISOU 510 CA SER A 71 2713 1940 961 46 -290 -296 C ATOM 511 C SER A 71 35.236 -0.076 85.352 1.00 20.05 C ANISOU 511 C SER A 71 3405 2569 1645 51 -287 -359 C ATOM 512 O SER A 71 36.195 0.650 85.087 1.00 15.00 O ANISOU 512 O SER A 71 2766 1903 1030 23 -346 -373 O ATOM 513 CB SER A 71 36.210 -1.816 86.884 1.00 16.53 C ANISOU 513 CB SER A 71 2992 2188 1099 23 -345 -290 C ATOM 514 OG SER A 71 35.633 -1.116 87.973 1.00 21.36 O ANISOU 514 OG SER A 71 3681 2805 1630 26 -322 -342 O ATOM 0 H SER A 71 36.805 -2.673 84.713 1.00 14.13 H new ATOM 0 HA SER A 71 34.541 -1.951 85.659 1.00 14.78 H new ATOM 0 HB2 SER A 71 36.226 -2.766 87.080 1.00 16.53 H new ATOM 0 HB3 SER A 71 37.131 -1.535 86.768 1.00 16.53 H new ATOM 0 HG SER A 71 36.076 -1.267 88.670 1.00 21.36 H new ATOM 515 N GLY A 72 33.984 0.370 85.441 1.00 15.05 N ANISOU 515 N GLY A 72 2791 1932 995 86 -217 -395 N ATOM 516 CA GLY A 72 33.655 1.779 85.321 1.00 15.34 C ANISOU 516 CA GLY A 72 2866 1926 1036 104 -208 -457 C ATOM 517 C GLY A 72 33.519 2.331 83.916 1.00 14.77 C ANISOU 517 C GLY A 72 2746 1812 1054 121 -200 -458 C ATOM 518 O GLY A 72 33.112 3.478 83.736 1.00 15.04 O ANISOU 518 O GLY A 72 2817 1804 1093 146 -186 -506 O ATOM 0 H GLY A 72 33.304 -0.140 85.573 1.00 15.05 H new ATOM 0 HA2 GLY A 72 32.820 1.936 85.790 1.00 15.34 H new ATOM 0 HA3 GLY A 72 34.339 2.290 85.782 1.00 15.34 H new ATOM 519 N ALA A 73 33.860 1.532 82.915 1.00 14.05 N ANISOU 519 N ALA A 73 2580 1730 1030 109 -210 -405 N ATOM 520 CA ALA A 73 33.816 2.014 81.539 1.00 14.16 C ANISOU 520 CA ALA A 73 2550 1706 1125 120 -207 -402 C ATOM 521 C ALA A 73 32.412 1.934 80.949 1.00 14.90 C ANISOU 521 C ALA A 73 2609 1810 1241 173 -135 -407 C ATOM 522 O ALA A 73 31.703 0.954 81.131 1.00 14.58 O ANISOU 522 O ALA A 73 2537 1817 1185 183 -92 -384 O ATOM 523 CB ALA A 73 34.806 1.244 80.663 1.00 13.94 C ANISOU 523 CB ALA A 73 2457 1683 1155 88 -246 -348 C ATOM 0 H ALA A 73 34.117 0.716 83.007 1.00 14.05 H new ATOM 0 HA ALA A 73 34.073 2.949 81.556 1.00 14.16 H new ATOM 0 HB1 ALA A 73 34.762 1.579 79.754 1.00 13.94 H new ATOM 0 HB2 ALA A 73 35.705 1.364 81.008 1.00 13.94 H new ATOM 0 HB3 ALA A 73 34.580 0.301 80.671 1.00 13.94 H new ATOM 524 N THR A 74 32.015 2.990 80.250 1.00 14.10 N ANISOU 524 N THR A 74 2518 1666 1174 204 -124 -438 N ATOM 525 CA THR A 74 30.761 2.990 79.512 1.00 13.11 C ANISOU 525 CA THR A 74 2348 1554 1078 258 -66 -440 C ATOM 526 C THR A 74 31.037 3.502 78.108 1.00 14.34 C ANISOU 526 C THR A 74 2476 1663 1308 261 -87 -428 C ATOM 527 O THR A 74 32.113 4.043 77.838 1.00 14.40 O ANISOU 527 O THR A 74 2510 1624 1336 223 -139 -427 O ATOM 528 CB THR A 74 29.715 3.913 80.164 1.00 15.83 C ANISOU 528 CB THR A 74 2742 1896 1377 318 -22 -499 C ATOM 529 OG1 THR A 74 30.248 5.242 80.277 1.00 15.45 O ANISOU 529 OG1 THR A 74 2773 1777 1321 321 -58 -540 O ATOM 530 CG2 THR A 74 29.315 3.399 81.543 1.00 15.65 C ANISOU 530 CG2 THR A 74 2745 1926 1273 316 10 -512 C ATOM 0 H THR A 74 32.462 3.722 80.191 1.00 14.10 H new ATOM 0 HA THR A 74 30.409 2.086 79.505 1.00 13.11 H new ATOM 0 HB THR A 74 28.924 3.924 79.603 1.00 15.83 H new ATOM 0 HG1 THR A 74 30.003 5.699 79.616 1.00 15.45 H new ATOM 0 HG21 THR A 74 28.657 3.996 81.933 1.00 15.65 H new ATOM 0 HG22 THR A 74 28.936 2.510 81.460 1.00 15.65 H new ATOM 0 HG23 THR A 74 30.098 3.364 82.115 1.00 15.65 H new ATOM 531 N TRP A 75 30.064 3.338 77.220 1.00 12.54 N ANISOU 531 N TRP A 75 2195 1452 1117 302 -47 -418 N ATOM 532 CA TRP A 75 30.184 3.848 75.862 1.00 13.05 C ANISOU 532 CA TRP A 75 2239 1475 1246 312 -63 -406 C ATOM 533 C TRP A 75 28.827 4.311 75.362 1.00 13.52 C ANISOU 533 C TRP A 75 2277 1544 1315 386 -18 -427 C ATOM 534 O TRP A 75 27.784 3.853 75.824 1.00 15.03 O ANISOU 534 O TRP A 75 2436 1796 1479 419 31 -436 O ATOM 535 CB TRP A 75 30.764 2.786 74.916 1.00 12.26 C ANISOU 535 CB TRP A 75 2071 1392 1196 270 -79 -351 C ATOM 536 CG TRP A 75 29.897 1.567 74.759 1.00 17.84 C ANISOU 536 CG TRP A 75 2712 2162 1905 278 -35 -324 C ATOM 537 CD1 TRP A 75 29.823 0.499 75.606 1.00 11.35 C ANISOU 537 CD1 TRP A 75 1881 1387 1045 255 -19 -308 C ATOM 538 CD2 TRP A 75 28.979 1.294 73.688 1.00 10.87 C ANISOU 538 CD2 TRP A 75 1770 1301 1060 306 -5 -310 C ATOM 539 NE1 TRP A 75 28.910 -0.419 75.134 1.00 11.50 N ANISOU 539 NE1 TRP A 75 1841 1453 1076 260 23 -286 N ATOM 540 CE2 TRP A 75 28.394 0.038 73.950 1.00 10.57 C ANISOU 540 CE2 TRP A 75 1687 1323 1005 289 30 -288 C ATOM 541 CE3 TRP A 75 28.607 1.984 72.527 1.00 10.58 C ANISOU 541 CE3 TRP A 75 1717 1237 1065 340 -8 -313 C ATOM 542 CZ2 TRP A 75 27.443 -0.534 73.102 1.00 13.35 C ANISOU 542 CZ2 TRP A 75 1975 1715 1382 300 62 -272 C ATOM 543 CZ3 TRP A 75 27.673 1.415 71.690 1.00 10.47 C ANISOU 543 CZ3 TRP A 75 1638 1266 1076 358 21 -296 C ATOM 544 CH2 TRP A 75 27.098 0.168 71.983 1.00 13.39 C ANISOU 544 CH2 TRP A 75 1959 1700 1429 335 55 -277 C ATOM 0 H TRP A 75 29.324 2.933 77.385 1.00 12.54 H new ATOM 0 HA TRP A 75 30.795 4.601 75.874 1.00 13.05 H new ATOM 0 HB2 TRP A 75 30.905 3.186 74.044 1.00 12.26 H new ATOM 0 HB3 TRP A 75 31.634 2.512 75.246 1.00 12.26 H new ATOM 0 HD1 TRP A 75 30.317 0.405 76.388 1.00 11.35 H new ATOM 0 HE1 TRP A 75 28.699 -1.158 75.520 1.00 11.50 H new ATOM 0 HE3 TRP A 75 28.983 2.810 72.325 1.00 10.58 H new ATOM 0 HZ2 TRP A 75 27.060 -1.360 73.292 1.00 13.35 H new ATOM 0 HZ3 TRP A 75 27.419 1.865 70.917 1.00 10.47 H new ATOM 0 HH2 TRP A 75 26.467 -0.188 71.401 1.00 13.39 H new ATOM 545 N SER A 76 28.854 5.242 74.422 1.00 14.77 N ANISOU 545 N SER A 76 2454 1646 1510 412 -35 -433 N ATOM 546 CA SER A 76 27.632 5.761 73.832 1.00 15.26 C ANISOU 546 CA SER A 76 2496 1715 1585 492 -1 -449 C ATOM 547 C SER A 76 28.005 6.375 72.500 1.00 20.37 C ANISOU 547 C SER A 76 3152 2302 2285 493 -33 -430 C ATOM 548 O SER A 76 28.867 7.249 72.429 1.00 14.87 O ANISOU 548 O SER A 76 2528 1531 1592 469 -70 -440 O ATOM 549 CB SER A 76 26.986 6.805 74.742 1.00 14.98 C ANISOU 549 CB SER A 76 2529 1662 1501 559 21 -507 C ATOM 550 OG SER A 76 25.774 7.283 74.178 1.00 16.18 O ANISOU 550 OG SER A 76 2653 1829 1664 648 53 -522 O ATOM 0 H SER A 76 29.576 5.589 74.109 1.00 14.77 H new ATOM 0 HA SER A 76 26.985 5.048 73.714 1.00 15.26 H new ATOM 0 HB2 SER A 76 26.811 6.417 75.614 1.00 14.98 H new ATOM 0 HB3 SER A 76 27.598 7.545 74.878 1.00 14.98 H new ATOM 0 HG SER A 76 25.530 6.769 73.560 1.00 16.18 H new ATOM 551 N ILE A 77 27.364 5.909 71.438 1.00 14.10 N ANISOU 551 N ILE A 77 2287 1542 1528 516 -18 -402 N ATOM 552 CA ILE A 77 27.710 6.388 70.119 1.00 11.62 C ANISOU 552 CA ILE A 77 1980 1176 1259 514 -47 -379 C ATOM 553 C ILE A 77 26.477 6.855 69.369 1.00 13.63 C ANISOU 553 C ILE A 77 2210 1443 1525 601 -27 -386 C ATOM 554 O ILE A 77 25.417 6.234 69.441 1.00 17.69 O ANISOU 554 O ILE A 77 2652 2037 2033 636 8 -387 O ATOM 555 CB ILE A 77 28.481 5.305 69.329 1.00 14.09 C ANISOU 555 CB ILE A 77 2235 1509 1610 442 -63 -329 C ATOM 556 CG1 ILE A 77 28.996 5.854 67.998 1.00 18.53 C ANISOU 556 CG1 ILE A 77 2813 2014 2212 430 -92 -305 C ATOM 557 CG2 ILE A 77 27.612 4.071 69.120 1.00 19.41 C ANISOU 557 CG2 ILE A 77 2819 2267 2288 447 -29 -308 C ATOM 558 CD1 ILE A 77 30.044 4.970 67.359 1.00 22.32 C ANISOU 558 CD1 ILE A 77 3255 2503 2724 355 -110 -262 C ATOM 0 H ILE A 77 26.735 5.323 71.462 1.00 14.10 H new ATOM 0 HA ILE A 77 28.296 7.155 70.217 1.00 11.62 H new ATOM 0 HB ILE A 77 29.254 5.042 69.853 1.00 14.09 H new ATOM 0 HG12 ILE A 77 28.250 5.957 67.386 1.00 18.53 H new ATOM 0 HG13 ILE A 77 29.369 6.738 68.141 1.00 18.53 H new ATOM 0 HG21 ILE A 77 28.111 3.404 68.624 1.00 19.41 H new ATOM 0 HG22 ILE A 77 27.354 3.707 69.981 1.00 19.41 H new ATOM 0 HG23 ILE A 77 26.817 4.316 68.622 1.00 19.41 H new ATOM 0 HD11 ILE A 77 30.334 5.365 66.522 1.00 22.32 H new ATOM 0 HD12 ILE A 77 30.804 4.885 67.956 1.00 22.32 H new ATOM 0 HD13 ILE A 77 29.667 4.092 67.189 1.00 22.32 H new ATOM 559 N SER A 78 26.621 7.984 68.686 1.00 15.20 N ANISOU 559 N SER A 78 2471 1565 1738 633 -52 -390 N ATOM 560 CA SER A 78 25.572 8.509 67.828 1.00 21.28 C ANISOU 560 CA SER A 78 3225 2338 2521 721 -44 -391 C ATOM 561 C SER A 78 26.123 8.580 66.412 1.00 20.71 C ANISOU 561 C SER A 78 3154 2224 2489 688 -76 -348 C ATOM 562 O SER A 78 27.077 9.307 66.148 1.00 27.48 O ANISOU 562 O SER A 78 4091 2996 3353 650 -107 -343 O ATOM 563 CB SER A 78 25.151 9.902 68.297 1.00 28.25 C ANISOU 563 CB SER A 78 4192 3164 3378 793 -43 -428 C ATOM 564 OG SER A 78 24.823 9.894 69.675 1.00 35.65 O ANISOU 564 OG SER A 78 5138 4133 4272 810 -13 -468 O ATOM 0 H SER A 78 27.332 8.467 68.708 1.00 15.20 H new ATOM 0 HA SER A 78 24.792 7.934 67.861 1.00 21.28 H new ATOM 0 HB2 SER A 78 25.870 10.533 68.136 1.00 28.25 H new ATOM 0 HB3 SER A 78 24.387 10.204 67.781 1.00 28.25 H new ATOM 0 HG SER A 78 24.596 10.667 69.914 1.00 35.65 H new ATOM 565 N TYR A 79 25.530 7.814 65.507 1.00 15.65 N ANISOU 565 N TYR A 79 2428 1646 1871 696 -69 -319 N ATOM 566 CA TYR A 79 25.959 7.826 64.114 1.00 16.47 C ANISOU 566 CA TYR A 79 2532 1718 2009 669 -96 -279 C ATOM 567 C TYR A 79 25.251 8.944 63.352 1.00 31.23 C ANISOU 567 C TYR A 79 4444 3544 3877 759 -110 -282 C ATOM 568 O TYR A 79 24.136 9.330 63.696 1.00 20.19 O ANISOU 568 O TYR A 79 3025 2185 2462 837 -92 -303 O ATOM 569 CB TYR A 79 25.690 6.474 63.460 1.00 16.99 C ANISOU 569 CB TYR A 79 2496 1866 2094 631 -85 -247 C ATOM 570 CG TYR A 79 26.399 5.322 64.142 1.00 19.35 C ANISOU 570 CG TYR A 79 2760 2199 2392 549 -72 -239 C ATOM 571 CD1 TYR A 79 27.717 5.012 63.831 1.00 13.16 C ANISOU 571 CD1 TYR A 79 1996 1378 1627 471 -92 -213 C ATOM 572 CD2 TYR A 79 25.749 4.543 65.091 1.00 11.50 C ANISOU 572 CD2 TYR A 79 1716 1279 1377 553 -40 -255 C ATOM 573 CE1 TYR A 79 28.374 3.959 64.450 1.00 11.69 C ANISOU 573 CE1 TYR A 79 1780 1223 1438 408 -85 -204 C ATOM 574 CE2 TYR A 79 26.399 3.488 65.719 1.00 12.78 C ANISOU 574 CE2 TYR A 79 1857 1465 1533 483 -32 -243 C ATOM 575 CZ TYR A 79 27.710 3.202 65.393 1.00 14.33 C ANISOU 575 CZ TYR A 79 2075 1621 1749 416 -56 -218 C ATOM 576 OH TYR A 79 28.349 2.156 66.013 1.00 12.43 O ANISOU 576 OH TYR A 79 1816 1405 1502 359 -51 -205 O ATOM 0 H TYR A 79 24.878 7.280 65.677 1.00 15.65 H new ATOM 0 HA TYR A 79 26.914 7.992 64.085 1.00 16.47 H new ATOM 0 HB2 TYR A 79 24.735 6.305 63.464 1.00 16.99 H new ATOM 0 HB3 TYR A 79 25.967 6.511 62.531 1.00 16.99 H new ATOM 0 HD1 TYR A 79 28.167 5.520 63.196 1.00 13.16 H new ATOM 0 HD2 TYR A 79 24.865 4.731 65.309 1.00 11.50 H new ATOM 0 HE1 TYR A 79 29.257 3.764 64.231 1.00 11.69 H new ATOM 0 HE2 TYR A 79 25.954 2.977 66.356 1.00 12.78 H new ATOM 0 HH TYR A 79 28.106 2.116 66.816 1.00 12.43 H new ATOM 577 N GLY A 80 25.903 9.460 62.315 1.00 26.11 N ANISOU 577 N GLY A 80 3848 2826 3246 732 -139 -252 N ATOM 578 CA GLY A 80 25.385 10.601 61.577 1.00 36.56 C ANISOU 578 CA GLY A 80 5210 4115 4564 778 -153 -239 C ATOM 579 C GLY A 80 24.015 10.425 60.939 1.00 26.80 C ANISOU 579 C GLY A 80 3899 2955 3329 856 -148 -231 C ATOM 580 O GLY A 80 23.354 11.409 60.599 1.00 28.49 O ANISOU 580 O GLY A 80 4142 3152 3530 915 -156 -229 O ATOM 0 H GLY A 80 26.654 9.159 62.022 1.00 26.11 H new ATOM 0 HA2 GLY A 80 25.345 11.360 62.179 1.00 36.56 H new ATOM 0 HA3 GLY A 80 26.020 10.826 60.879 1.00 36.56 H new ATOM 581 N ASP A 81 23.585 9.178 60.772 1.00 20.59 N ANISOU 581 N ASP A 81 3016 2253 2553 855 -135 -226 N ATOM 582 CA ASP A 81 22.275 8.888 60.182 1.00 25.57 C ANISOU 582 CA ASP A 81 3561 2971 3182 916 -132 -219 C ATOM 583 C ASP A 81 21.149 8.980 61.213 1.00 26.86 C ANISOU 583 C ASP A 81 3675 3207 3325 980 -101 -256 C ATOM 584 O ASP A 81 19.973 8.945 60.861 1.00 29.83 O ANISOU 584 O ASP A 81 3981 3658 3695 1036 -98 -255 O ATOM 585 CB ASP A 81 22.266 7.487 59.574 1.00 21.58 C ANISOU 585 CB ASP A 81 2968 2534 2695 875 -130 -199 C ATOM 586 CG ASP A 81 22.331 6.404 60.633 1.00 26.47 C ANISOU 586 CG ASP A 81 3529 3219 3311 815 -94 -215 C ATOM 587 OD1 ASP A 81 23.027 6.621 61.643 1.00 26.68 O ANISOU 587 OD1 ASP A 81 3607 3201 3328 788 -84 -234 O ATOM 588 OD2 ASP A 81 21.672 5.355 60.471 1.00 21.52 O ANISOU 588 OD2 ASP A 81 2808 2685 2685 792 -79 -209 O ATOM 0 H ASP A 81 24.037 8.481 60.994 1.00 20.59 H new ATOM 0 HA ASP A 81 22.121 9.555 59.495 1.00 25.57 H new ATOM 0 HB2 ASP A 81 21.462 7.371 59.044 1.00 21.58 H new ATOM 0 HB3 ASP A 81 23.020 7.393 58.971 1.00 21.58 H new ATOM 589 N GLY A 82 21.513 9.079 62.486 1.00 21.94 N ANISOU 589 N GLY A 82 3086 2564 2685 969 -78 -288 N ATOM 590 CA GLY A 82 20.524 9.175 63.547 1.00 21.83 C ANISOU 590 CA GLY A 82 3032 2616 2646 1023 -44 -323 C ATOM 591 C GLY A 82 20.429 7.915 64.388 1.00 25.54 C ANISOU 591 C GLY A 82 3429 3167 3108 990 -7 -341 C ATOM 592 O GLY A 82 19.669 7.860 65.357 1.00 21.69 O ANISOU 592 O GLY A 82 2904 2742 2595 1021 29 -370 O ATOM 0 H GLY A 82 22.330 9.092 62.755 1.00 21.94 H new ATOM 0 HA2 GLY A 82 20.745 9.925 64.121 1.00 21.83 H new ATOM 0 HA3 GLY A 82 19.656 9.363 63.157 1.00 21.83 H new ATOM 593 N SER A 83 21.200 6.898 64.018 1.00 17.56 N ANISOU 593 N SER A 83 2398 2160 2116 911 -14 -318 N ATOM 594 CA SER A 83 21.231 5.651 64.773 1.00 18.42 C ANISOU 594 CA SER A 83 2444 2339 2215 837 18 -318 C ATOM 595 C SER A 83 22.114 5.812 66.003 1.00 13.70 C ANISOU 595 C SER A 83 1918 1691 1597 798 27 -339 C ATOM 596 O SER A 83 22.972 6.693 66.048 1.00 17.53 O ANISOU 596 O SER A 83 2497 2080 2084 797 1 -344 O ATOM 597 CB SER A 83 21.758 4.504 63.908 1.00 23.18 C ANISOU 597 CB SER A 83 3005 2959 2845 744 5 -275 C ATOM 598 OG SER A 83 20.948 4.317 62.763 1.00 23.45 O ANISOU 598 OG SER A 83 2975 3042 2893 771 -6 -257 O ATOM 0 H SER A 83 21.715 6.910 63.329 1.00 17.56 H new ATOM 0 HA SER A 83 20.326 5.439 65.049 1.00 18.42 H new ATOM 0 HB2 SER A 83 22.670 4.693 63.636 1.00 23.18 H new ATOM 0 HB3 SER A 83 21.781 3.686 64.429 1.00 23.18 H new ATOM 0 HG SER A 83 21.398 4.478 62.072 1.00 23.45 H new ATOM 599 N SER A 84 21.896 4.962 67.000 1.00 14.27 N ANISOU 599 N SER A 84 1949 1828 1646 762 63 -350 N ATOM 600 CA SER A 84 22.678 5.030 68.233 1.00 15.01 C ANISOU 600 CA SER A 84 2107 1885 1712 726 69 -369 C ATOM 601 C SER A 84 22.690 3.717 69.002 1.00 16.29 C ANISOU 601 C SER A 84 2221 2115 1855 656 99 -359 C ATOM 602 O SER A 84 21.864 2.832 68.780 1.00 17.63 O ANISOU 602 O SER A 84 2306 2367 2025 643 126 -347 O ATOM 603 CB SER A 84 22.166 6.142 69.152 1.00 13.75 C ANISOU 603 CB SER A 84 2001 1709 1517 811 88 -419 C ATOM 604 OG SER A 84 20.834 5.886 69.574 1.00 18.55 O ANISOU 604 OG SER A 84 2531 2415 2100 868 135 -441 O ATOM 0 H SER A 84 21.302 4.340 66.985 1.00 14.27 H new ATOM 0 HA SER A 84 23.587 5.223 67.956 1.00 15.01 H new ATOM 0 HB2 SER A 84 22.745 6.217 69.927 1.00 13.75 H new ATOM 0 HB3 SER A 84 22.203 6.992 68.687 1.00 13.75 H new ATOM 0 HG SER A 84 20.311 6.419 69.189 1.00 18.55 H new ATOM 605 N SER A 85 23.641 3.613 69.922 1.00 16.06 N ANISOU 605 N SER A 85 2249 2047 1805 607 92 -363 N ATOM 606 CA SER A 85 23.704 2.483 70.833 1.00 12.51 C ANISOU 606 CA SER A 85 1775 1650 1327 548 119 -355 C ATOM 607 C SER A 85 24.593 2.873 72.009 1.00 12.46 C ANISOU 607 C SER A 85 1850 1597 1286 528 106 -376 C ATOM 608 O SER A 85 25.342 3.855 71.923 1.00 12.92 O ANISOU 608 O SER A 85 1978 1578 1352 538 71 -388 O ATOM 609 CB SER A 85 24.213 1.222 70.121 1.00 12.72 C ANISOU 609 CB SER A 85 1760 1689 1383 472 106 -308 C ATOM 610 OG SER A 85 25.409 1.460 69.398 1.00 11.09 O ANISOU 610 OG SER A 85 1593 1410 1212 442 60 -285 O ATOM 0 H SER A 85 24.265 4.194 70.034 1.00 16.06 H new ATOM 0 HA SER A 85 22.816 2.267 71.159 1.00 12.51 H new ATOM 0 HB2 SER A 85 24.367 0.523 70.776 1.00 12.72 H new ATOM 0 HB3 SER A 85 23.530 0.897 69.514 1.00 12.72 H new ATOM 0 HG SER A 85 25.567 0.807 68.894 1.00 11.09 H new ATOM 611 N SER A 86 24.486 2.138 73.113 1.00 12.28 N ANISOU 611 N SER A 86 1824 1621 1220 497 135 -379 N ATOM 612 CA SER A 86 25.278 2.440 74.308 1.00 12.07 C ANISOU 612 CA SER A 86 1874 1560 1151 477 121 -399 C ATOM 613 C SER A 86 25.290 1.269 75.287 1.00 16.03 C ANISOU 613 C SER A 86 2365 2116 1611 425 146 -384 C ATOM 614 O SER A 86 24.456 0.370 75.200 1.00 12.58 O ANISOU 614 O SER A 86 1865 1747 1170 413 186 -368 O ATOM 615 CB SER A 86 24.730 3.686 75.011 1.00 13.35 C ANISOU 615 CB SER A 86 2089 1706 1277 550 139 -455 C ATOM 616 OG SER A 86 23.421 3.455 75.519 1.00 17.60 O ANISOU 616 OG SER A 86 2579 2327 1781 594 200 -476 O ATOM 0 H SER A 86 23.962 1.461 73.193 1.00 12.28 H new ATOM 0 HA SER A 86 26.189 2.604 74.017 1.00 12.07 H new ATOM 0 HB2 SER A 86 25.322 3.938 75.737 1.00 13.35 H new ATOM 0 HB3 SER A 86 24.712 4.430 74.389 1.00 13.35 H new ATOM 0 HG SER A 86 23.473 3.080 76.269 1.00 17.60 H new ATOM 617 N GLY A 87 26.224 1.287 76.233 1.00 12.16 N ANISOU 617 N GLY A 87 1938 1595 1086 391 122 -388 N ATOM 618 CA GLY A 87 26.292 0.228 77.224 1.00 12.25 C ANISOU 618 CA GLY A 87 1954 1651 1050 346 141 -371 C ATOM 619 C GLY A 87 27.564 0.264 78.045 1.00 12.28 C ANISOU 619 C GLY A 87 2026 1616 1025 307 94 -367 C ATOM 620 O GLY A 87 28.100 1.340 78.325 1.00 13.75 O ANISOU 620 O GLY A 87 2270 1752 1202 322 63 -400 O ATOM 0 H GLY A 87 26.822 1.900 76.316 1.00 12.16 H new ATOM 0 HA2 GLY A 87 25.528 0.298 77.818 1.00 12.25 H new ATOM 0 HA3 GLY A 87 26.226 -0.630 76.777 1.00 12.25 H new ATOM 621 N ASP A 88 28.028 -0.917 78.443 1.00 12.98 N ANISOU 621 N ASP A 88 2112 1726 1095 257 87 -328 N ATOM 622 CA ASP A 88 29.265 -1.048 79.209 1.00 14.99 C ANISOU 622 CA ASP A 88 2421 1955 1321 220 37 -318 C ATOM 623 C ASP A 88 30.282 -1.870 78.432 1.00 14.67 C ANISOU 623 C ASP A 88 2351 1895 1329 183 -5 -267 C ATOM 624 O ASP A 88 30.068 -2.172 77.260 1.00 11.58 O ANISOU 624 O ASP A 88 1908 1500 994 185 3 -246 O ATOM 625 CB ASP A 88 29.022 -1.614 80.612 1.00 15.65 C ANISOU 625 CB ASP A 88 2545 2080 1324 205 62 -320 C ATOM 626 CG ASP A 88 28.225 -2.894 80.608 1.00 24.25 C ANISOU 626 CG ASP A 88 3595 3220 2400 185 112 -285 C ATOM 627 OD1 ASP A 88 28.235 -3.613 79.591 1.00 17.76 O ANISOU 627 OD1 ASP A 88 2723 2394 1631 169 111 -249 O ATOM 628 OD2 ASP A 88 27.590 -3.188 81.644 1.00 26.88 O ANISOU 628 OD2 ASP A 88 3953 3596 2666 180 155 -295 O ATOM 0 H ASP A 88 27.636 -1.664 78.277 1.00 12.98 H new ATOM 0 HA ASP A 88 29.630 -0.159 79.339 1.00 14.99 H new ATOM 0 HB2 ASP A 88 29.877 -1.774 81.042 1.00 15.65 H new ATOM 0 HB3 ASP A 88 28.556 -0.951 81.145 1.00 15.65 H new ATOM 629 N VAL A 89 31.400 -2.207 79.068 1.00 11.89 N ANISOU 629 N VAL A 89 2032 1533 952 153 -52 -249 N ATOM 630 CA VAL A 89 32.535 -2.727 78.318 1.00 11.18 C ANISOU 630 CA VAL A 89 1915 1423 910 129 -99 -209 C ATOM 631 C VAL A 89 33.176 -3.935 78.971 1.00 14.26 C ANISOU 631 C VAL A 89 2319 1832 1268 106 -119 -168 C ATOM 632 O VAL A 89 33.372 -3.964 80.181 1.00 13.16 O ANISOU 632 O VAL A 89 2228 1707 1064 99 -132 -175 O ATOM 633 CB VAL A 89 33.633 -1.653 78.122 1.00 11.23 C ANISOU 633 CB VAL A 89 1937 1391 940 118 -156 -229 C ATOM 634 CG1 VAL A 89 34.709 -2.166 77.175 1.00 12.85 C ANISOU 634 CG1 VAL A 89 2097 1584 1200 98 -194 -189 C ATOM 635 CG2 VAL A 89 33.044 -0.356 77.564 1.00 11.27 C ANISOU 635 CG2 VAL A 89 1950 1364 970 144 -140 -270 C ATOM 0 H VAL A 89 31.520 -2.144 79.917 1.00 11.89 H new ATOM 0 HA VAL A 89 32.166 -2.992 77.461 1.00 11.18 H new ATOM 0 HB VAL A 89 34.024 -1.468 78.990 1.00 11.23 H new ATOM 0 HG11 VAL A 89 35.390 -1.485 77.060 1.00 12.85 H new ATOM 0 HG12 VAL A 89 35.112 -2.967 77.546 1.00 12.85 H new ATOM 0 HG13 VAL A 89 34.311 -2.373 76.315 1.00 12.85 H new ATOM 0 HG21 VAL A 89 33.751 0.298 77.451 1.00 11.27 H new ATOM 0 HG22 VAL A 89 32.627 -0.532 76.706 1.00 11.27 H new ATOM 0 HG23 VAL A 89 32.380 -0.010 78.181 1.00 11.27 H new ATOM 636 N TYR A 90 33.497 -4.930 78.154 1.00 10.84 N ANISOU 636 N TYR A 90 1848 1395 876 99 -122 -124 N ATOM 637 CA TYR A 90 34.334 -6.033 78.592 1.00 10.95 C ANISOU 637 CA TYR A 90 1876 1415 869 88 -152 -81 C ATOM 638 C TYR A 90 35.620 -6.021 77.771 1.00 13.37 C ANISOU 638 C TYR A 90 2146 1704 1230 87 -204 -61 C ATOM 639 O TYR A 90 35.686 -5.373 76.725 1.00 14.48 O ANISOU 639 O TYR A 90 2248 1825 1426 88 -204 -74 O ATOM 640 CB TYR A 90 33.584 -7.354 78.393 1.00 10.98 C ANISOU 640 CB TYR A 90 1878 1428 866 82 -105 -45 C ATOM 641 CG TYR A 90 32.384 -7.458 79.305 1.00 11.25 C ANISOU 641 CG TYR A 90 1945 1492 839 74 -52 -61 C ATOM 642 CD1 TYR A 90 31.195 -6.806 78.999 1.00 13.58 C ANISOU 642 CD1 TYR A 90 2213 1805 1143 82 -1 -97 C ATOM 643 CD2 TYR A 90 32.462 -8.165 80.496 1.00 12.83 C ANISOU 643 CD2 TYR A 90 2201 1707 966 62 -52 -40 C ATOM 644 CE1 TYR A 90 30.109 -6.878 79.851 1.00 14.25 C ANISOU 644 CE1 TYR A 90 2318 1927 1169 76 52 -113 C ATOM 645 CE2 TYR A 90 31.383 -8.245 81.351 1.00 17.11 C ANISOU 645 CE2 TYR A 90 2772 2281 1447 49 2 -55 C ATOM 646 CZ TYR A 90 30.212 -7.598 81.027 1.00 17.97 C ANISOU 646 CZ TYR A 90 2845 2413 1568 56 56 -92 C ATOM 647 OH TYR A 90 29.135 -7.677 81.881 1.00 24.00 O ANISOU 647 OH TYR A 90 3629 3220 2270 45 115 -109 O ATOM 0 H TYR A 90 33.237 -4.983 77.336 1.00 10.84 H new ATOM 0 HA TYR A 90 34.550 -5.941 79.533 1.00 10.95 H new ATOM 0 HB2 TYR A 90 33.296 -7.427 77.470 1.00 10.98 H new ATOM 0 HB3 TYR A 90 34.185 -8.096 78.563 1.00 10.98 H new ATOM 0 HD1 TYR A 90 31.129 -6.315 78.212 1.00 13.58 H new ATOM 0 HD2 TYR A 90 33.256 -8.593 80.722 1.00 12.83 H new ATOM 0 HE1 TYR A 90 29.315 -6.445 79.635 1.00 14.25 H new ATOM 0 HE2 TYR A 90 31.446 -8.732 82.141 1.00 17.11 H new ATOM 0 HH TYR A 90 28.468 -7.310 81.526 1.00 24.00 H new ATOM 648 N THR A 91 36.649 -6.707 78.255 1.00 12.67 N ANISOU 648 N THR A 91 2067 1624 1122 87 -249 -29 N ATOM 649 CA THR A 91 37.745 -7.081 77.367 1.00 10.66 C ANISOU 649 CA THR A 91 1766 1363 921 94 -284 -1 C ATOM 650 C THR A 91 37.647 -8.587 77.170 1.00 11.58 C ANISOU 650 C THR A 91 1890 1474 1036 111 -264 46 C ATOM 651 O THR A 91 37.236 -9.304 78.078 1.00 12.31 O ANISOU 651 O THR A 91 2033 1574 1072 111 -251 63 O ATOM 652 CB THR A 91 39.131 -6.689 77.917 1.00 16.18 C ANISOU 652 CB THR A 91 2458 2081 1608 89 -355 0 C ATOM 653 OG1 THR A 91 39.325 -7.274 79.206 1.00 15.17 O ANISOU 653 OG1 THR A 91 2379 1974 1410 95 -380 16 O ATOM 654 CG2 THR A 91 39.245 -5.170 78.022 1.00 15.47 C ANISOU 654 CG2 THR A 91 2371 1985 1521 62 -375 -49 C ATOM 0 H THR A 91 36.733 -6.961 79.072 1.00 12.67 H new ATOM 0 HA THR A 91 37.661 -6.601 76.529 1.00 10.66 H new ATOM 0 HB THR A 91 39.812 -7.017 77.309 1.00 16.18 H new ATOM 0 HG1 THR A 91 39.479 -8.095 79.121 1.00 15.17 H new ATOM 0 HG21 THR A 91 40.120 -4.934 78.369 1.00 15.47 H new ATOM 0 HG22 THR A 91 39.128 -4.775 77.144 1.00 15.47 H new ATOM 0 HG23 THR A 91 38.559 -4.834 78.620 1.00 15.47 H new ATOM 655 N ASP A 92 38.000 -9.062 75.982 1.00 11.00 N ANISOU 655 N ASP A 92 1775 1386 1019 122 -259 67 N ATOM 656 CA ASP A 92 37.931 -10.491 75.698 1.00 10.17 C ANISOU 656 CA ASP A 92 1686 1265 914 138 -239 108 C ATOM 657 C ASP A 92 38.767 -10.768 74.462 1.00 10.89 C ANISOU 657 C ASP A 92 1726 1345 1067 158 -251 124 C ATOM 658 O ASP A 92 39.252 -9.847 73.800 1.00 12.91 O ANISOU 658 O ASP A 92 1932 1607 1364 151 -267 104 O ATOM 659 CB ASP A 92 36.476 -10.920 75.452 1.00 12.51 C ANISOU 659 CB ASP A 92 2003 1548 1201 118 -174 105 C ATOM 660 CG ASP A 92 36.223 -12.385 75.777 1.00 11.32 C ANISOU 660 CG ASP A 92 1906 1380 1016 120 -153 145 C ATOM 661 OD1 ASP A 92 37.191 -13.174 75.861 1.00 12.51 O ANISOU 661 OD1 ASP A 92 2073 1518 1164 150 -187 180 O ATOM 662 OD2 ASP A 92 35.039 -12.753 75.952 1.00 11.29 O ANISOU 662 OD2 ASP A 92 1929 1376 985 91 -103 143 O ATOM 0 H ASP A 92 38.281 -8.578 75.329 1.00 11.00 H new ATOM 0 HA ASP A 92 38.270 -10.994 76.455 1.00 10.17 H new ATOM 0 HB2 ASP A 92 35.886 -10.368 75.990 1.00 12.51 H new ATOM 0 HB3 ASP A 92 36.249 -10.756 74.523 1.00 12.51 H new ATOM 663 N THR A 93 38.914 -12.045 74.143 1.00 10.46 N ANISOU 663 N THR A 93 1690 1270 1014 181 -240 161 N ATOM 664 CA THR A 93 39.656 -12.452 72.962 1.00 9.73 C ANISOU 664 CA THR A 93 1557 1166 975 206 -243 176 C ATOM 665 C THR A 93 38.764 -12.371 71.729 1.00 12.69 C ANISOU 665 C THR A 93 1914 1519 1390 184 -193 161 C ATOM 666 O THR A 93 37.640 -12.891 71.727 1.00 11.72 O ANISOU 666 O THR A 93 1827 1378 1248 163 -151 162 O ATOM 667 CB THR A 93 40.169 -13.876 73.132 1.00 10.12 C ANISOU 667 CB THR A 93 1645 1196 1006 248 -251 219 C ATOM 668 OG1 THR A 93 41.027 -13.920 74.279 1.00 13.19 O ANISOU 668 OG1 THR A 93 2047 1612 1355 274 -305 234 O ATOM 669 CG2 THR A 93 40.959 -14.314 71.893 1.00 9.99 C ANISOU 669 CG2 THR A 93 1586 1169 1042 282 -250 230 C ATOM 0 H THR A 93 38.589 -12.696 74.601 1.00 10.46 H new ATOM 0 HA THR A 93 40.411 -11.854 72.847 1.00 9.73 H new ATOM 0 HB THR A 93 39.415 -14.476 73.248 1.00 10.12 H new ATOM 0 HG1 THR A 93 41.486 -14.623 74.259 1.00 13.19 H new ATOM 0 HG21 THR A 93 41.278 -15.222 72.017 1.00 9.99 H new ATOM 0 HG22 THR A 93 40.384 -14.278 71.113 1.00 9.99 H new ATOM 0 HG23 THR A 93 41.715 -13.720 71.765 1.00 9.99 H new ATOM 670 N VAL A 94 39.257 -11.699 70.692 1.00 8.87 N ANISOU 670 N VAL A 94 1374 1041 957 184 -199 147 N ATOM 671 CA VAL A 94 38.500 -11.515 69.456 1.00 8.39 C ANISOU 671 CA VAL A 94 1294 962 933 165 -159 133 C ATOM 672 C VAL A 94 39.324 -11.988 68.268 1.00 11.82 C ANISOU 672 C VAL A 94 1697 1387 1409 188 -157 148 C ATOM 673 O VAL A 94 40.487 -11.601 68.117 1.00 11.12 O ANISOU 673 O VAL A 94 1565 1318 1340 204 -188 150 O ATOM 674 CB VAL A 94 38.120 -10.029 69.251 1.00 8.15 C ANISOU 674 CB VAL A 94 1234 943 919 139 -160 98 C ATOM 675 CG1 VAL A 94 37.480 -9.805 67.881 1.00 10.16 C ANISOU 675 CG1 VAL A 94 1467 1183 1212 127 -128 88 C ATOM 676 CG2 VAL A 94 37.207 -9.556 70.380 1.00 13.93 C ANISOU 676 CG2 VAL A 94 2000 1686 1608 124 -154 78 C ATOM 0 H VAL A 94 40.037 -11.338 70.685 1.00 8.87 H new ATOM 0 HA VAL A 94 37.686 -12.038 69.523 1.00 8.39 H new ATOM 0 HB VAL A 94 38.932 -9.498 69.277 1.00 8.15 H new ATOM 0 HG11 VAL A 94 37.252 -8.868 67.779 1.00 10.16 H new ATOM 0 HG12 VAL A 94 38.105 -10.063 67.186 1.00 10.16 H new ATOM 0 HG13 VAL A 94 36.676 -10.342 67.808 1.00 10.16 H new ATOM 0 HG21 VAL A 94 36.976 -8.624 70.241 1.00 13.93 H new ATOM 0 HG22 VAL A 94 36.398 -10.092 70.388 1.00 13.93 H new ATOM 0 HG23 VAL A 94 37.666 -9.651 71.229 1.00 13.93 H new ATOM 677 N SER A 95 38.727 -12.837 67.431 1.00 9.05 N ANISOU 677 N SER A 95 1365 1006 1066 187 -120 156 N ATOM 678 CA SER A 95 39.407 -13.326 66.242 1.00 8.04 C ANISOU 678 CA SER A 95 1216 866 973 211 -111 167 C ATOM 679 C SER A 95 38.588 -13.047 64.981 1.00 10.06 C ANISOU 679 C SER A 95 1460 1109 1255 182 -76 150 C ATOM 680 O SER A 95 37.366 -13.223 64.963 1.00 10.22 O ANISOU 680 O SER A 95 1507 1118 1259 153 -50 142 O ATOM 681 CB SER A 95 39.691 -14.828 66.357 1.00 8.40 C ANISOU 681 CB SER A 95 1311 881 999 247 -103 196 C ATOM 682 OG SER A 95 40.549 -15.108 67.454 1.00 11.18 O ANISOU 682 OG SER A 95 1673 1248 1327 284 -141 216 O ATOM 0 H SER A 95 37.929 -13.139 67.537 1.00 9.05 H new ATOM 0 HA SER A 95 40.250 -12.851 66.172 1.00 8.04 H new ATOM 0 HB2 SER A 95 38.856 -15.310 66.465 1.00 8.40 H new ATOM 0 HB3 SER A 95 40.098 -15.146 65.536 1.00 8.40 H new ATOM 0 HG SER A 95 41.313 -15.307 67.168 1.00 11.18 H new ATOM 683 N VAL A 96 39.284 -12.616 63.933 1.00 7.80 N ANISOU 683 N VAL A 96 1131 830 1004 190 -77 145 N ATOM 684 CA VAL A 96 38.700 -12.371 62.624 1.00 7.14 C ANISOU 684 CA VAL A 96 1037 735 943 168 -49 133 C ATOM 685 C VAL A 96 39.511 -13.129 61.579 1.00 7.25 C ANISOU 685 C VAL A 96 1045 736 975 196 -34 145 C ATOM 686 O VAL A 96 40.685 -12.828 61.361 1.00 11.13 O ANISOU 686 O VAL A 96 1494 1249 1485 218 -48 150 O ATOM 687 CB VAL A 96 38.755 -10.878 62.240 1.00 8.41 C ANISOU 687 CB VAL A 96 1156 913 1125 146 -61 114 C ATOM 688 CG1 VAL A 96 38.263 -10.681 60.810 1.00 11.09 C ANISOU 688 CG1 VAL A 96 1489 1241 1484 130 -36 107 C ATOM 689 CG2 VAL A 96 37.941 -10.030 63.217 1.00 10.77 C ANISOU 689 CG2 VAL A 96 1466 1222 1406 126 -73 97 C ATOM 0 H VAL A 96 40.128 -12.455 63.967 1.00 7.80 H new ATOM 0 HA VAL A 96 37.774 -12.660 62.657 1.00 7.14 H new ATOM 0 HB VAL A 96 39.678 -10.584 62.291 1.00 8.41 H new ATOM 0 HG11 VAL A 96 38.302 -9.739 60.581 1.00 11.09 H new ATOM 0 HG12 VAL A 96 38.826 -11.185 60.202 1.00 11.09 H new ATOM 0 HG13 VAL A 96 37.348 -10.993 60.737 1.00 11.09 H new ATOM 0 HG21 VAL A 96 37.991 -9.097 62.955 1.00 10.77 H new ATOM 0 HG22 VAL A 96 37.015 -10.320 63.204 1.00 10.77 H new ATOM 0 HG23 VAL A 96 38.300 -10.134 64.112 1.00 10.77 H new ATOM 690 N GLY A 97 38.893 -14.115 60.933 1.00 11.64 N ANISOU 690 N GLY A 97 1641 1259 1521 194 -4 148 N ATOM 691 CA GLY A 97 39.553 -14.820 59.846 1.00 10.36 C ANISOU 691 CA GLY A 97 1482 1081 1372 221 16 154 C ATOM 692 C GLY A 97 40.904 -15.425 60.205 1.00 12.60 C ANISOU 692 C GLY A 97 1756 1371 1659 281 3 172 C ATOM 693 O GLY A 97 41.823 -15.466 59.374 1.00 13.05 O ANISOU 693 O GLY A 97 1781 1441 1737 310 13 172 O ATOM 0 H GLY A 97 38.097 -14.387 61.109 1.00 11.64 H new ATOM 0 HA2 GLY A 97 38.968 -15.528 59.534 1.00 10.36 H new ATOM 0 HA3 GLY A 97 39.674 -14.206 59.105 1.00 10.36 H new ATOM 694 N GLY A 98 41.034 -15.882 61.447 1.00 10.73 N ANISOU 694 N GLY A 98 1545 1131 1399 302 -19 187 N ATOM 695 CA GLY A 98 42.263 -16.516 61.899 1.00 12.82 C ANISOU 695 CA GLY A 98 1802 1405 1662 368 -37 207 C ATOM 696 C GLY A 98 43.222 -15.584 62.621 1.00 12.56 C ANISOU 696 C GLY A 98 1701 1432 1641 377 -79 209 C ATOM 697 O GLY A 98 44.230 -16.027 63.172 1.00 17.29 O ANISOU 697 O GLY A 98 2283 2051 2234 432 -105 226 O ATOM 0 H GLY A 98 40.418 -15.833 62.045 1.00 10.73 H new ATOM 0 HA2 GLY A 98 42.036 -17.251 62.491 1.00 12.82 H new ATOM 0 HA3 GLY A 98 42.717 -16.899 61.132 1.00 12.82 H new ATOM 698 N LEU A 99 42.916 -14.290 62.618 1.00 11.09 N ANISOU 698 N LEU A 99 1475 1271 1467 324 -89 190 N ATOM 699 CA LEU A 99 43.746 -13.294 63.304 1.00 8.61 C ANISOU 699 CA LEU A 99 1103 1008 1160 316 -130 187 C ATOM 700 C LEU A 99 43.162 -12.996 64.675 1.00 8.61 C ANISOU 700 C LEU A 99 1135 1008 1127 295 -158 185 C ATOM 701 O LEU A 99 42.006 -12.607 64.784 1.00 10.28 O ANISOU 701 O LEU A 99 1380 1198 1329 255 -143 170 O ATOM 702 CB LEU A 99 43.817 -12.009 62.480 1.00 9.73 C ANISOU 702 CB LEU A 99 1196 1170 1331 268 -124 167 C ATOM 703 CG LEU A 99 44.385 -10.766 63.171 1.00 11.21 C ANISOU 703 CG LEU A 99 1340 1399 1522 235 -164 157 C ATOM 704 CD1 LEU A 99 45.862 -10.960 63.510 1.00 15.43 C ANISOU 704 CD1 LEU A 99 1813 1988 2063 267 -195 170 C ATOM 705 CD2 LEU A 99 44.176 -9.542 62.280 1.00 14.12 C ANISOU 705 CD2 LEU A 99 1687 1764 1912 182 -150 138 C ATOM 0 H LEU A 99 42.226 -13.963 62.222 1.00 11.09 H new ATOM 0 HA LEU A 99 44.643 -13.649 63.408 1.00 8.61 H new ATOM 0 HB2 LEU A 99 44.354 -12.186 61.692 1.00 9.73 H new ATOM 0 HB3 LEU A 99 42.921 -11.799 62.172 1.00 9.73 H new ATOM 0 HG LEU A 99 43.913 -10.624 64.006 1.00 11.21 H new ATOM 0 HD11 LEU A 99 46.202 -10.163 63.946 1.00 15.43 H new ATOM 0 HD12 LEU A 99 45.961 -11.720 64.104 1.00 15.43 H new ATOM 0 HD13 LEU A 99 46.363 -11.120 62.695 1.00 15.43 H new ATOM 0 HD21 LEU A 99 44.536 -8.756 62.720 1.00 14.12 H new ATOM 0 HD22 LEU A 99 44.631 -9.676 61.434 1.00 14.12 H new ATOM 0 HD23 LEU A 99 43.228 -9.416 62.120 1.00 14.12 H new ATOM 706 N THR A 100 43.973 -13.165 65.716 1.00 10.70 N ANISOU 706 N THR A 100 1389 1302 1375 325 -199 199 N ATOM 707 CA THR A 100 43.497 -13.091 67.092 1.00 13.73 C ANISOU 707 CA THR A 100 1814 1684 1717 313 -224 201 C ATOM 708 C THR A 100 44.082 -11.908 67.865 1.00 12.02 C ANISOU 708 C THR A 100 1556 1515 1496 286 -270 186 C ATOM 709 O THR A 100 45.298 -11.692 67.866 1.00 15.39 O ANISOU 709 O THR A 100 1922 1987 1937 302 -303 191 O ATOM 710 CB THR A 100 43.834 -14.409 67.837 1.00 12.92 C ANISOU 710 CB THR A 100 1759 1569 1582 371 -238 233 C ATOM 711 OG1 THR A 100 43.126 -15.491 67.216 1.00 12.84 O ANISOU 711 OG1 THR A 100 1808 1504 1569 384 -194 243 O ATOM 712 CG2 THR A 100 43.446 -14.336 69.309 1.00 15.28 C ANISOU 712 CG2 THR A 100 2103 1872 1831 359 -267 237 C ATOM 0 H THR A 100 44.815 -13.326 65.643 1.00 10.70 H new ATOM 0 HA THR A 100 42.537 -12.959 67.049 1.00 13.73 H new ATOM 0 HB THR A 100 44.792 -14.551 67.785 1.00 12.92 H new ATOM 0 HG1 THR A 100 43.305 -16.209 67.614 1.00 12.84 H new ATOM 0 HG21 THR A 100 43.669 -15.173 69.745 1.00 15.28 H new ATOM 0 HG22 THR A 100 43.929 -13.611 69.736 1.00 15.28 H new ATOM 0 HG23 THR A 100 42.492 -14.177 69.385 1.00 15.28 H new ATOM 713 N VAL A 101 43.203 -11.143 68.508 1.00 11.71 N ANISOU 713 N VAL A 101 1548 1466 1436 243 -272 165 N ATOM 714 CA VAL A 101 43.616 -10.109 69.444 1.00 12.29 C ANISOU 714 CA VAL A 101 1605 1573 1492 214 -316 149 C ATOM 715 C VAL A 101 43.139 -10.488 70.839 1.00 12.45 C ANISOU 715 C VAL A 101 1685 1589 1456 222 -333 155 C ATOM 716 O VAL A 101 41.964 -10.793 71.032 1.00 13.80 O ANISOU 716 O VAL A 101 1910 1729 1606 213 -298 152 O ATOM 717 CB VAL A 101 43.026 -8.729 69.060 1.00 12.56 C ANISOU 717 CB VAL A 101 1634 1595 1542 160 -304 114 C ATOM 718 CG1 VAL A 101 43.243 -7.724 70.187 1.00 13.68 C ANISOU 718 CG1 VAL A 101 1785 1758 1654 129 -346 93 C ATOM 719 CG2 VAL A 101 43.649 -8.232 67.758 1.00 13.14 C ANISOU 719 CG2 VAL A 101 1651 1676 1664 145 -293 111 C ATOM 0 H VAL A 101 42.351 -11.211 68.412 1.00 11.71 H new ATOM 0 HA VAL A 101 44.583 -10.041 69.419 1.00 12.29 H new ATOM 0 HB VAL A 101 42.071 -8.825 68.923 1.00 12.56 H new ATOM 0 HG11 VAL A 101 42.869 -6.866 69.932 1.00 13.68 H new ATOM 0 HG12 VAL A 101 42.805 -8.041 70.992 1.00 13.68 H new ATOM 0 HG13 VAL A 101 44.193 -7.625 70.354 1.00 13.68 H new ATOM 0 HG21 VAL A 101 43.272 -7.368 67.528 1.00 13.14 H new ATOM 0 HG22 VAL A 101 44.609 -8.146 67.870 1.00 13.14 H new ATOM 0 HG23 VAL A 101 43.462 -8.865 67.047 1.00 13.14 H new ATOM 720 N THR A 102 44.047 -10.486 71.806 1.00 12.47 N ANISOU 720 N THR A 102 1676 1630 1432 236 -386 164 N ATOM 721 CA THR A 102 43.650 -10.664 73.196 1.00 13.59 C ANISOU 721 CA THR A 102 1878 1773 1513 237 -406 167 C ATOM 722 C THR A 102 43.432 -9.299 73.850 1.00 11.88 C ANISOU 722 C THR A 102 1666 1571 1278 185 -427 129 C ATOM 723 O THR A 102 44.061 -8.305 73.469 1.00 15.34 O ANISOU 723 O THR A 102 2055 2029 1744 155 -448 108 O ATOM 724 CB THR A 102 44.686 -11.490 74.003 1.00 20.02 C ANISOU 724 CB THR A 102 2691 2620 2296 286 -458 201 C ATOM 725 OG1 THR A 102 45.973 -10.865 73.928 1.00 18.45 O ANISOU 725 OG1 THR A 102 2414 2478 2119 284 -509 195 O ATOM 726 CG2 THR A 102 44.788 -12.905 73.452 1.00 17.15 C ANISOU 726 CG2 THR A 102 2345 2228 1943 346 -434 238 C ATOM 0 H THR A 102 44.892 -10.384 71.681 1.00 12.47 H new ATOM 0 HA THR A 102 42.820 -11.166 73.203 1.00 13.59 H new ATOM 0 HB THR A 102 44.392 -11.528 74.927 1.00 20.02 H new ATOM 0 HG1 THR A 102 45.977 -10.174 74.406 1.00 18.45 H new ATOM 0 HG21 THR A 102 45.439 -13.407 73.967 1.00 17.15 H new ATOM 0 HG22 THR A 102 43.923 -13.340 73.514 1.00 17.15 H new ATOM 0 HG23 THR A 102 45.067 -12.872 72.524 1.00 17.15 H new ATOM 727 N GLY A 103 42.521 -9.249 74.818 1.00 11.52 N ANISOU 727 N GLY A 103 1685 1511 1182 173 -415 119 N ATOM 728 CA GLY A 103 42.241 -8.015 75.532 1.00 16.53 C ANISOU 728 CA GLY A 103 2339 2153 1790 133 -431 80 C ATOM 729 C GLY A 103 41.594 -6.937 74.680 1.00 14.36 C ANISOU 729 C GLY A 103 2051 1852 1553 101 -397 45 C ATOM 730 O GLY A 103 41.765 -5.746 74.939 1.00 14.44 O ANISOU 730 O GLY A 103 2063 1865 1558 68 -419 12 O ATOM 0 H GLY A 103 42.054 -9.924 75.075 1.00 11.52 H new ATOM 0 HA2 GLY A 103 41.660 -8.212 76.283 1.00 16.53 H new ATOM 0 HA3 GLY A 103 43.070 -7.670 75.898 1.00 16.53 H new ATOM 731 N GLN A 104 40.854 -7.343 73.654 1.00 10.78 N ANISOU 731 N GLN A 104 1590 1372 1135 111 -346 52 N ATOM 732 CA GLN A 104 40.108 -6.386 72.845 1.00 9.45 C ANISOU 732 CA GLN A 104 1415 1178 998 90 -314 23 C ATOM 733 C GLN A 104 38.928 -5.835 73.632 1.00 12.15 C ANISOU 733 C GLN A 104 1807 1510 1299 83 -290 -7 C ATOM 734 O GLN A 104 38.197 -6.593 74.261 1.00 11.76 O ANISOU 734 O GLN A 104 1790 1464 1212 95 -265 3 O ATOM 735 CB GLN A 104 39.586 -7.056 71.570 1.00 12.52 C ANISOU 735 CB GLN A 104 1783 1547 1428 104 -269 40 C ATOM 736 CG GLN A 104 38.622 -6.176 70.778 1.00 8.95 C ANISOU 736 CG GLN A 104 1330 1071 1000 90 -235 13 C ATOM 737 CD GLN A 104 39.316 -4.970 70.179 1.00 16.22 C ANISOU 737 CD GLN A 104 2226 1985 1953 67 -258 -4 C ATOM 738 OE1 GLN A 104 40.425 -5.080 69.658 1.00 11.24 O ANISOU 738 OE1 GLN A 104 1555 1366 1348 60 -280 12 O ATOM 739 NE2 GLN A 104 38.685 -3.805 70.283 1.00 12.11 N ANISOU 739 NE2 GLN A 104 1730 1443 1426 55 -253 -37 N ATOM 0 H GLN A 104 40.770 -8.164 73.410 1.00 10.78 H new ATOM 0 HA GLN A 104 40.707 -5.661 72.607 1.00 9.45 H new ATOM 0 HB2 GLN A 104 40.338 -7.292 71.005 1.00 12.52 H new ATOM 0 HB3 GLN A 104 39.139 -7.884 71.807 1.00 12.52 H new ATOM 0 HG2 GLN A 104 38.216 -6.699 70.070 1.00 8.95 H new ATOM 0 HG3 GLN A 104 37.904 -5.880 71.359 1.00 8.95 H new ATOM 0 HE21 GLN A 104 37.910 -3.767 70.654 1.00 12.11 H new ATOM 0 HE22 GLN A 104 39.052 -3.089 69.979 1.00 12.11 H new ATOM 740 N ALA A 105 38.728 -4.520 73.584 1.00 9.95 N ANISOU 740 N ALA A 105 1538 1218 1026 64 -294 -44 N ATOM 741 CA ALA A 105 37.525 -3.935 74.162 1.00 14.64 C ANISOU 741 CA ALA A 105 2175 1802 1587 68 -263 -77 C ATOM 742 C ALA A 105 36.315 -4.351 73.334 1.00 13.70 C ANISOU 742 C ALA A 105 2042 1674 1490 86 -207 -72 C ATOM 743 O ALA A 105 36.216 -4.030 72.137 1.00 10.02 O ANISOU 743 O ALA A 105 1546 1190 1072 87 -196 -72 O ATOM 744 CB ALA A 105 37.634 -2.411 74.229 1.00 13.17 C ANISOU 744 CB ALA A 105 2010 1592 1402 51 -282 -118 C ATOM 0 H ALA A 105 39.270 -3.957 73.226 1.00 9.95 H new ATOM 0 HA ALA A 105 37.421 -4.261 75.070 1.00 14.64 H new ATOM 0 HB1 ALA A 105 36.823 -2.045 74.616 1.00 13.17 H new ATOM 0 HB2 ALA A 105 38.394 -2.165 74.779 1.00 13.17 H new ATOM 0 HB3 ALA A 105 37.754 -2.055 73.335 1.00 13.17 H new ATOM 745 N VAL A 106 35.417 -5.093 73.981 1.00 12.44 N ANISOU 745 N VAL A 106 1903 1532 1292 95 -174 -66 N ATOM 746 CA VAL A 106 34.145 -5.502 73.398 1.00 10.03 C ANISOU 746 CA VAL A 106 1583 1231 996 103 -121 -66 C ATOM 747 C VAL A 106 33.037 -4.734 74.103 1.00 12.41 C ANISOU 747 C VAL A 106 1908 1546 1262 115 -91 -104 C ATOM 748 O VAL A 106 32.788 -4.919 75.296 1.00 12.00 O ANISOU 748 O VAL A 106 1892 1514 1154 113 -83 -111 O ATOM 749 CB VAL A 106 33.924 -7.021 73.542 1.00 10.97 C ANISOU 749 CB VAL A 106 1709 1362 1099 97 -99 -29 C ATOM 750 CG1 VAL A 106 32.566 -7.420 72.936 1.00 9.63 C ANISOU 750 CG1 VAL A 106 1519 1204 936 92 -45 -31 C ATOM 751 CG2 VAL A 106 35.049 -7.772 72.853 1.00 14.19 C ANISOU 751 CG2 VAL A 106 2097 1753 1540 98 -127 6 C ATOM 0 H VAL A 106 35.534 -5.376 74.784 1.00 12.44 H new ATOM 0 HA VAL A 106 34.144 -5.304 72.449 1.00 10.03 H new ATOM 0 HB VAL A 106 33.922 -7.253 74.484 1.00 10.97 H new ATOM 0 HG11 VAL A 106 32.437 -8.377 73.032 1.00 9.63 H new ATOM 0 HG12 VAL A 106 31.854 -6.950 73.399 1.00 9.63 H new ATOM 0 HG13 VAL A 106 32.550 -7.185 71.995 1.00 9.63 H new ATOM 0 HG21 VAL A 106 34.906 -8.727 72.946 1.00 14.19 H new ATOM 0 HG22 VAL A 106 35.065 -7.538 71.912 1.00 14.19 H new ATOM 0 HG23 VAL A 106 35.896 -7.531 73.260 1.00 14.19 H new ATOM 752 N GLU A 107 32.385 -3.848 73.366 1.00 9.23 N ANISOU 752 N GLU A 107 1487 1133 888 132 -75 -129 N ATOM 753 CA GLU A 107 31.417 -2.947 73.972 1.00 9.61 C ANISOU 753 CA GLU A 107 1556 1192 905 157 -49 -170 C ATOM 754 C GLU A 107 30.033 -3.579 73.958 1.00 15.31 C ANISOU 754 C GLU A 107 2249 1956 1611 165 7 -170 C ATOM 755 O GLU A 107 29.447 -3.802 72.902 1.00 11.43 O ANISOU 755 O GLU A 107 1714 1472 1156 170 26 -160 O ATOM 756 CB GLU A 107 31.455 -1.595 73.257 1.00 10.94 C ANISOU 756 CB GLU A 107 1727 1323 1106 178 -64 -198 C ATOM 757 CG GLU A 107 32.852 -0.971 73.333 1.00 11.75 C ANISOU 757 CG GLU A 107 1857 1388 1219 154 -119 -199 C ATOM 758 CD GLU A 107 33.005 0.241 72.455 1.00 13.96 C ANISOU 758 CD GLU A 107 2146 1623 1536 162 -134 -217 C ATOM 759 OE1 GLU A 107 34.111 0.448 71.910 1.00 11.53 O ANISOU 759 OE1 GLU A 107 1833 1291 1258 131 -170 -202 O ATOM 760 OE2 GLU A 107 32.014 0.977 72.310 1.00 12.56 O ANISOU 760 OE2 GLU A 107 1981 1436 1355 201 -109 -244 O ATOM 0 H GLU A 107 32.487 -3.752 72.518 1.00 9.23 H new ATOM 0 HA GLU A 107 31.645 -2.790 74.902 1.00 9.61 H new ATOM 0 HB2 GLU A 107 31.199 -1.709 72.329 1.00 10.94 H new ATOM 0 HB3 GLU A 107 30.807 -0.995 73.658 1.00 10.94 H new ATOM 0 HG2 GLU A 107 33.041 -0.724 74.252 1.00 11.75 H new ATOM 0 HG3 GLU A 107 33.511 -1.635 73.077 1.00 11.75 H new ATOM 761 N SER A 108 29.536 -3.896 75.148 1.00 12.97 N ANISOU 761 N SER A 108 1979 1693 1257 162 33 -179 N ATOM 762 CA SER A 108 28.273 -4.622 75.293 1.00 13.82 C ANISOU 762 CA SER A 108 2059 1851 1341 155 90 -175 C ATOM 763 C SER A 108 27.090 -3.665 75.289 1.00 13.17 C ANISOU 763 C SER A 108 1954 1799 1252 198 127 -218 C ATOM 764 O SER A 108 27.003 -2.768 76.128 1.00 11.92 O ANISOU 764 O SER A 108 1832 1639 1059 227 129 -255 O ATOM 765 CB SER A 108 28.296 -5.437 76.590 1.00 13.94 C ANISOU 765 CB SER A 108 2116 1890 1290 128 106 -162 C ATOM 766 OG SER A 108 27.025 -6.004 76.860 1.00 18.25 O ANISOU 766 OG SER A 108 2638 2490 1805 114 167 -163 O ATOM 0 H SER A 108 29.917 -3.699 75.893 1.00 12.97 H new ATOM 0 HA SER A 108 28.171 -5.223 74.538 1.00 13.82 H new ATOM 0 HB2 SER A 108 28.959 -6.141 76.521 1.00 13.94 H new ATOM 0 HB3 SER A 108 28.563 -4.867 77.329 1.00 13.94 H new ATOM 0 HG SER A 108 26.731 -5.700 77.586 1.00 18.25 H new ATOM 767 N ALA A 109 26.170 -3.846 74.345 1.00 11.52 N ANISOU 767 N ALA A 109 1684 1618 1074 206 154 -215 N ATOM 768 CA ALA A 109 25.048 -2.920 74.232 1.00 10.91 C ANISOU 768 CA ALA A 109 1575 1575 995 259 184 -254 C ATOM 769 C ALA A 109 24.017 -3.147 75.332 1.00 13.21 C ANISOU 769 C ALA A 109 1859 1935 1226 262 241 -275 C ATOM 770 O ALA A 109 23.571 -4.267 75.541 1.00 15.23 O ANISOU 770 O ALA A 109 2092 2235 1461 213 274 -251 O ATOM 771 CB ALA A 109 24.389 -3.051 72.855 1.00 11.11 C ANISOU 771 CB ALA A 109 1534 1619 1070 268 190 -243 C ATOM 0 H ALA A 109 26.176 -4.486 73.770 1.00 11.52 H new ATOM 0 HA ALA A 109 25.397 -2.021 74.335 1.00 10.91 H new ATOM 0 HB1 ALA A 109 23.645 -2.431 72.792 1.00 11.11 H new ATOM 0 HB2 ALA A 109 25.039 -2.847 72.164 1.00 11.11 H new ATOM 0 HB3 ALA A 109 24.065 -3.957 72.736 1.00 11.11 H new ATOM 772 N LYS A 110 23.654 -2.083 76.041 1.00 12.15 N ANISOU 772 N LYS A 110 1749 1808 1061 316 256 -320 N ATOM 773 CA LYS A 110 22.477 -2.124 76.902 1.00 13.16 C ANISOU 773 CA LYS A 110 1851 2013 1135 333 320 -347 C ATOM 774 C LYS A 110 21.264 -1.570 76.145 1.00 13.39 C ANISOU 774 C LYS A 110 1803 2093 1190 392 349 -371 C ATOM 775 O LYS A 110 20.126 -2.019 76.343 1.00 19.16 O ANISOU 775 O LYS A 110 2471 2913 1898 387 404 -377 O ATOM 776 CB LYS A 110 22.717 -1.343 78.200 1.00 19.44 C ANISOU 776 CB LYS A 110 2721 2794 1873 363 325 -386 C ATOM 777 CG LYS A 110 23.698 -2.019 79.147 1.00 16.37 C ANISOU 777 CG LYS A 110 2399 2379 1440 305 304 -362 C ATOM 778 CD LYS A 110 23.813 -1.265 80.468 1.00 22.22 C ANISOU 778 CD LYS A 110 3213 3116 2114 331 313 -404 C ATOM 0 H LYS A 110 24.073 -1.332 76.038 1.00 12.15 H new ATOM 0 HA LYS A 110 22.300 -3.046 77.146 1.00 13.16 H new ATOM 0 HB2 LYS A 110 23.049 -0.459 77.980 1.00 19.44 H new ATOM 0 HB3 LYS A 110 21.870 -1.222 78.657 1.00 19.44 H new ATOM 0 HG2 LYS A 110 23.410 -2.929 79.317 1.00 16.37 H new ATOM 0 HG3 LYS A 110 24.571 -2.072 78.727 1.00 16.37 H new ATOM 779 N LYS A 111 21.520 -0.600 75.272 1.00 13.78 N ANISOU 779 N LYS A 111 1858 2091 1286 445 310 -382 N ATOM 780 CA LYS A 111 20.472 0.049 74.485 1.00 13.25 C ANISOU 780 CA LYS A 111 1727 2063 1245 515 325 -403 C ATOM 781 C LYS A 111 20.912 0.205 73.037 1.00 18.40 C ANISOU 781 C LYS A 111 2364 2664 1962 516 275 -377 C ATOM 782 O LYS A 111 22.067 0.521 72.774 1.00 15.73 O ANISOU 782 O LYS A 111 2088 2241 1646 500 227 -365 O ATOM 783 CB LYS A 111 20.152 1.435 75.053 1.00 15.58 C ANISOU 783 CB LYS A 111 2063 2341 1515 609 336 -456 C ATOM 784 CG LYS A 111 19.604 1.421 76.466 1.00 21.24 C ANISOU 784 CG LYS A 111 2794 3115 2162 621 392 -490 C ATOM 785 CD LYS A 111 19.312 2.832 76.959 1.00 35.54 C ANISOU 785 CD LYS A 111 4656 4900 3949 722 402 -547 C ATOM 0 H LYS A 111 22.310 -0.297 75.118 1.00 13.78 H new ATOM 0 HA LYS A 111 19.681 -0.511 74.527 1.00 13.25 H new ATOM 0 HB2 LYS A 111 20.959 1.974 75.036 1.00 15.58 H new ATOM 0 HB3 LYS A 111 19.508 1.870 74.472 1.00 15.58 H new ATOM 0 HG2 LYS A 111 18.792 0.891 76.495 1.00 21.24 H new ATOM 0 HG3 LYS A 111 20.242 0.994 77.059 1.00 21.24 H new ATOM 786 N VAL A 112 19.989 -0.026 72.105 1.00 15.80 N ANISOU 786 N VAL A 112 1951 2393 1658 531 287 -369 N ATOM 787 CA VAL A 112 20.238 0.241 70.689 1.00 12.24 C ANISOU 787 CA VAL A 112 1487 1902 1262 544 242 -348 C ATOM 788 C VAL A 112 19.017 0.942 70.075 1.00 13.24 C ANISOU 788 C VAL A 112 1547 2085 1398 629 254 -370 C ATOM 789 O VAL A 112 17.898 0.769 70.551 1.00 15.98 O ANISOU 789 O VAL A 112 1827 2526 1717 652 301 -390 O ATOM 790 CB VAL A 112 20.556 -1.054 69.890 1.00 12.33 C ANISOU 790 CB VAL A 112 1464 1920 1300 457 230 -302 C ATOM 791 CG1 VAL A 112 21.757 -1.793 70.478 1.00 16.62 C ANISOU 791 CG1 VAL A 112 2070 2411 1833 385 217 -278 C ATOM 792 CG2 VAL A 112 19.339 -1.979 69.843 1.00 22.34 C ANISOU 792 CG2 VAL A 112 2642 3295 2552 426 274 -298 C ATOM 0 H VAL A 112 19.206 -0.340 72.274 1.00 15.80 H new ATOM 0 HA VAL A 112 21.018 0.815 70.633 1.00 12.24 H new ATOM 0 HB VAL A 112 20.779 -0.788 68.984 1.00 12.33 H new ATOM 0 HG11 VAL A 112 21.930 -2.594 69.959 1.00 16.62 H new ATOM 0 HG12 VAL A 112 22.537 -1.217 70.451 1.00 16.62 H new ATOM 0 HG13 VAL A 112 21.568 -2.038 71.397 1.00 16.62 H new ATOM 0 HG21 VAL A 112 19.560 -2.779 69.341 1.00 22.34 H new ATOM 0 HG22 VAL A 112 19.084 -2.225 70.746 1.00 22.34 H new ATOM 0 HG23 VAL A 112 18.600 -1.521 69.412 1.00 22.34 H new ATOM 793 N SER A 113 19.234 1.738 69.029 1.00 14.92 N ANISOU 793 N SER A 113 1778 2243 1649 677 211 -364 N ATOM 794 CA SER A 113 18.129 2.431 68.370 1.00 13.30 C ANISOU 794 CA SER A 113 1514 2086 1452 768 213 -381 C ATOM 795 C SER A 113 17.350 1.453 67.500 1.00 17.78 C ANISOU 795 C SER A 113 1977 2744 2036 727 218 -356 C ATOM 796 O SER A 113 17.838 0.366 67.186 1.00 14.39 O ANISOU 796 O SER A 113 1540 2310 1617 631 212 -324 O ATOM 797 CB SER A 113 18.630 3.611 67.533 1.00 15.92 C ANISOU 797 CB SER A 113 1912 2323 1812 831 164 -379 C ATOM 798 OG SER A 113 19.549 3.185 66.539 1.00 18.83 O ANISOU 798 OG SER A 113 2303 2634 2216 764 123 -338 O ATOM 0 H SER A 113 20.009 1.889 68.687 1.00 14.92 H new ATOM 0 HA SER A 113 17.541 2.786 69.055 1.00 13.30 H new ATOM 0 HB2 SER A 113 17.877 4.054 67.112 1.00 15.92 H new ATOM 0 HB3 SER A 113 19.055 4.263 68.112 1.00 15.92 H new ATOM 0 HG SER A 113 19.142 3.067 65.813 1.00 18.83 H new ATOM 799 N SER A 114 16.149 1.857 67.103 1.00 18.98 N ANISOU 799 N SER A 114 2049 2976 2186 802 228 -372 N ATOM 800 CA SER A 114 15.242 0.985 66.357 1.00 17.67 C ANISOU 800 CA SER A 114 1773 2914 2029 764 234 -355 C ATOM 801 C SER A 114 15.862 0.425 65.077 1.00 16.95 C ANISOU 801 C SER A 114 1693 2776 1973 699 187 -315 C ATOM 802 O SER A 114 15.606 -0.722 64.710 1.00 17.32 O ANISOU 802 O SER A 114 1683 2877 2020 613 195 -294 O ATOM 803 CB SER A 114 13.934 1.722 66.039 1.00 22.82 C ANISOU 803 CB SER A 114 2348 3643 2678 857 234 -373 C ATOM 804 OG SER A 114 14.173 2.856 65.224 1.00 30.74 O ANISOU 804 OG SER A 114 3410 4564 3706 934 183 -366 O ATOM 0 H SER A 114 15.835 2.643 67.257 1.00 18.98 H new ATOM 0 HA SER A 114 15.056 0.224 66.930 1.00 17.67 H new ATOM 0 HB2 SER A 114 13.321 1.120 65.589 1.00 22.82 H new ATOM 0 HB3 SER A 114 13.506 1.998 66.864 1.00 22.82 H new ATOM 0 HG SER A 114 14.998 3.012 65.195 1.00 30.74 H new ATOM 805 N SER A 115 16.685 1.228 64.408 1.00 14.71 N ANISOU 805 N SER A 115 1486 2389 1714 735 141 -303 N ATOM 806 CA SER A 115 17.314 0.804 63.160 1.00 16.44 C ANISOU 806 CA SER A 115 1721 2562 1963 682 99 -266 C ATOM 807 C SER A 115 18.171 -0.447 63.357 1.00 24.20 C ANISOU 807 C SER A 115 2728 3519 2949 564 109 -242 C ATOM 808 O SER A 115 18.182 -1.337 62.512 1.00 17.23 O ANISOU 808 O SER A 115 1816 2653 2077 500 98 -217 O ATOM 809 CB SER A 115 18.153 1.934 62.564 1.00 24.45 C ANISOU 809 CB SER A 115 2826 3465 2998 734 56 -258 C ATOM 810 OG SER A 115 19.127 2.375 63.492 1.00 31.46 O ANISOU 810 OG SER A 115 3803 4271 3879 728 62 -270 O ATOM 0 H SER A 115 16.893 2.024 64.660 1.00 14.71 H new ATOM 0 HA SER A 115 16.603 0.582 62.538 1.00 16.44 H new ATOM 0 HB2 SER A 115 18.588 1.628 61.753 1.00 24.45 H new ATOM 0 HB3 SER A 115 17.578 2.674 62.315 1.00 24.45 H new ATOM 0 HG SER A 115 19.610 2.962 63.134 1.00 31.46 H new ATOM 811 N PHE A 116 18.882 -0.516 64.478 1.00 13.43 N ANISOU 811 N PHE A 116 1421 2112 1569 540 129 -250 N ATOM 812 CA PHE A 116 19.686 -1.699 64.769 1.00 12.43 C ANISOU 812 CA PHE A 116 1320 1961 1441 441 138 -227 C ATOM 813 C PHE A 116 18.792 -2.880 65.165 1.00 13.82 C ANISOU 813 C PHE A 116 1427 2232 1592 380 179 -226 C ATOM 814 O PHE A 116 19.017 -4.009 64.726 1.00 15.48 O ANISOU 814 O PHE A 116 1632 2442 1807 300 178 -200 O ATOM 815 CB PHE A 116 20.740 -1.401 65.848 1.00 10.53 C ANISOU 815 CB PHE A 116 1162 1651 1188 436 139 -233 C ATOM 816 CG PHE A 116 21.844 -0.485 65.388 1.00 16.23 C ANISOU 816 CG PHE A 116 1957 2273 1935 461 97 -227 C ATOM 817 CD1 PHE A 116 22.668 -0.843 64.332 1.00 10.71 C ANISOU 817 CD1 PHE A 116 1276 1527 1267 419 66 -196 C ATOM 818 CD2 PHE A 116 22.077 0.722 66.031 1.00 12.11 C ANISOU 818 CD2 PHE A 116 1492 1706 1402 521 90 -255 C ATOM 819 CE1 PHE A 116 23.687 -0.004 63.905 1.00 13.79 C ANISOU 819 CE1 PHE A 116 1729 1833 1677 433 32 -189 C ATOM 820 CE2 PHE A 116 23.097 1.564 65.613 1.00 10.36 C ANISOU 820 CE2 PHE A 116 1341 1393 1201 531 52 -249 C ATOM 821 CZ PHE A 116 23.901 1.204 64.546 1.00 13.11 C ANISOU 821 CZ PHE A 116 1698 1702 1582 484 24 -215 C ATOM 0 H PHE A 116 18.913 0.101 65.076 1.00 13.43 H new ATOM 0 HA PHE A 116 20.162 -1.947 63.961 1.00 12.43 H new ATOM 0 HB2 PHE A 116 20.300 -1.003 66.616 1.00 10.53 H new ATOM 0 HB3 PHE A 116 21.130 -2.238 66.147 1.00 10.53 H new ATOM 0 HD1 PHE A 116 22.536 -1.658 63.904 1.00 10.71 H new ATOM 0 HD2 PHE A 116 21.543 0.970 66.751 1.00 12.11 H new ATOM 0 HE1 PHE A 116 24.226 -0.253 63.189 1.00 13.79 H new ATOM 0 HE2 PHE A 116 23.241 2.372 66.051 1.00 10.36 H new ATOM 0 HZ PHE A 116 24.581 1.770 64.261 1.00 13.11 H new ATOM 822 N THR A 117 17.775 -2.618 65.985 1.00 12.42 N ANISOU 822 N THR A 117 1200 2134 1386 416 217 -254 N ATOM 823 CA THR A 117 16.815 -3.646 66.377 1.00 16.20 C ANISOU 823 CA THR A 117 1606 2714 1837 355 262 -255 C ATOM 824 C THR A 117 16.171 -4.284 65.148 1.00 20.87 C ANISOU 824 C THR A 117 2126 3360 2446 313 246 -239 C ATOM 825 O THR A 117 15.991 -5.499 65.085 1.00 13.23 O ANISOU 825 O THR A 117 1138 2423 1466 218 263 -222 O ATOM 826 CB THR A 117 15.701 -3.082 67.293 1.00 20.65 C ANISOU 826 CB THR A 117 2109 3369 2366 415 307 -292 C ATOM 827 OG1 THR A 117 16.273 -2.650 68.532 1.00 18.42 O ANISOU 827 OG1 THR A 117 1900 3040 2058 438 327 -309 O ATOM 828 CG2 THR A 117 14.656 -4.147 67.593 1.00 20.93 C ANISOU 828 CG2 THR A 117 2059 3521 2374 340 355 -292 C ATOM 0 H THR A 117 17.624 -1.844 66.327 1.00 12.42 H new ATOM 0 HA THR A 117 17.313 -4.315 66.873 1.00 16.20 H new ATOM 0 HB THR A 117 15.279 -2.339 66.834 1.00 20.65 H new ATOM 0 HG1 THR A 117 16.584 -3.313 68.944 1.00 18.42 H new ATOM 0 HG21 THR A 117 13.969 -3.774 68.167 1.00 20.93 H new ATOM 0 HG22 THR A 117 14.255 -4.450 66.763 1.00 20.93 H new ATOM 0 HG23 THR A 117 15.078 -4.897 68.040 1.00 20.93 H new ATOM 829 N GLU A 118 15.847 -3.460 64.160 1.00 15.80 N ANISOU 829 N GLU A 118 1452 2723 1826 384 210 -243 N ATOM 830 CA GLU A 118 15.154 -3.947 62.971 1.00 17.78 C ANISOU 830 CA GLU A 118 1632 3036 2089 354 189 -231 C ATOM 831 C GLU A 118 16.071 -4.690 61.985 1.00 24.65 C ANISOU 831 C GLU A 118 2556 3829 2980 282 155 -198 C ATOM 832 O GLU A 118 15.593 -5.425 61.119 1.00 23.74 O ANISOU 832 O GLU A 118 2395 3760 2866 225 144 -187 O ATOM 833 CB GLU A 118 14.402 -2.794 62.301 1.00 21.58 C ANISOU 833 CB GLU A 118 2060 3558 2580 464 160 -247 C ATOM 834 CG GLU A 118 13.332 -2.190 63.208 1.00 20.96 C ANISOU 834 CG GLU A 118 1911 3575 2477 539 199 -282 C ATOM 835 CD GLU A 118 12.818 -0.841 62.726 1.00 32.37 C ANISOU 835 CD GLU A 118 3334 5032 3932 676 169 -298 C ATOM 836 OE1 GLU A 118 11.911 -0.288 63.385 1.00 44.51 O ANISOU 836 OE1 GLU A 118 4837 6622 5452 731 192 -320 O ATOM 837 OE2 GLU A 118 13.320 -0.336 61.698 1.00 37.40 O ANISOU 837 OE2 GLU A 118 4019 5598 4595 709 117 -280 O ATOM 0 H GLU A 118 16.018 -2.617 64.157 1.00 15.80 H new ATOM 0 HA GLU A 118 14.513 -4.614 63.263 1.00 17.78 H new ATOM 0 HB2 GLU A 118 15.034 -2.104 62.047 1.00 21.58 H new ATOM 0 HB3 GLU A 118 13.987 -3.113 61.484 1.00 21.58 H new ATOM 0 HG2 GLU A 118 12.587 -2.808 63.273 1.00 20.96 H new ATOM 0 HG3 GLU A 118 13.695 -2.089 64.102 1.00 20.96 H new ATOM 838 N ASP A 119 17.382 -4.496 62.119 1.00 15.30 N ANISOU 838 N ASP A 119 1469 2534 1812 283 140 -185 N ATOM 839 CA ASP A 119 18.359 -5.215 61.300 1.00 10.40 C ANISOU 839 CA ASP A 119 901 1840 1209 221 116 -156 C ATOM 840 C ASP A 119 18.744 -6.535 61.979 1.00 17.58 C ANISOU 840 C ASP A 119 1841 2738 2102 127 147 -143 C ATOM 841 O ASP A 119 19.782 -6.612 62.636 1.00 18.63 O ANISOU 841 O ASP A 119 2043 2800 2236 121 150 -134 O ATOM 842 CB ASP A 119 19.636 -4.392 61.097 1.00 17.18 C ANISOU 842 CB ASP A 119 1843 2593 2093 264 86 -147 C ATOM 843 CG ASP A 119 19.453 -3.218 60.147 1.00 46.88 C ANISOU 843 CG ASP A 119 5601 6341 5872 342 48 -149 C ATOM 844 OD1 ASP A 119 18.408 -3.137 59.472 1.00 36.30 O ANISOU 844 OD1 ASP A 119 4193 5072 4527 364 38 -154 O ATOM 845 OD2 ASP A 119 20.377 -2.376 60.067 1.00 24.26 O ANISOU 845 OD2 ASP A 119 2802 3393 3022 379 27 -145 O ATOM 0 H ASP A 119 17.729 -3.948 62.683 1.00 15.30 H new ATOM 0 HA ASP A 119 17.946 -5.381 60.438 1.00 10.40 H new ATOM 0 HB2 ASP A 119 19.939 -4.060 61.957 1.00 17.18 H new ATOM 0 HB3 ASP A 119 20.335 -4.971 60.754 1.00 17.18 H new ATOM 846 N SER A 120 17.920 -7.566 61.809 1.00 13.41 N ANISOU 846 N SER A 120 1262 2277 1555 54 167 -140 N ATOM 847 CA SER A 120 18.110 -8.846 62.502 1.00 13.66 C ANISOU 847 CA SER A 120 1327 2300 1563 -36 200 -128 C ATOM 848 C SER A 120 19.390 -9.583 62.107 1.00 10.79 C ANISOU 848 C SER A 120 1050 1835 1214 -76 183 -101 C ATOM 849 O SER A 120 19.851 -10.471 62.833 1.00 13.41 O ANISOU 849 O SER A 120 1434 2134 1528 -128 206 -87 O ATOM 850 CB SER A 120 16.902 -9.762 62.270 1.00 24.63 C ANISOU 850 CB SER A 120 2647 3783 2929 -116 224 -131 C ATOM 851 OG SER A 120 16.891 -10.260 60.941 1.00 25.61 O ANISOU 851 OG SER A 120 2767 3897 3067 -155 193 -120 O ATOM 0 H SER A 120 17.235 -7.547 61.290 1.00 13.41 H new ATOM 0 HA SER A 120 18.195 -8.625 63.443 1.00 13.66 H new ATOM 0 HB2 SER A 120 16.928 -10.502 62.896 1.00 24.63 H new ATOM 0 HB3 SER A 120 16.083 -9.273 62.443 1.00 24.63 H new ATOM 0 HG SER A 120 16.224 -10.760 60.834 1.00 25.61 H new ATOM 852 N THR A 121 19.964 -9.214 60.963 1.00 9.44 N ANISOU 852 N THR A 121 897 1617 1073 -48 145 -92 N ATOM 853 CA THR A 121 21.162 -9.887 60.449 1.00 11.18 C ANISOU 853 CA THR A 121 1190 1751 1307 -78 131 -69 C ATOM 854 C THR A 121 22.467 -9.286 60.957 1.00 13.80 C ANISOU 854 C THR A 121 1581 2007 1656 -30 119 -62 C ATOM 855 O THR A 121 23.530 -9.872 60.778 1.00 10.83 O ANISOU 855 O THR A 121 1261 1566 1289 -50 112 -43 O ATOM 856 CB THR A 121 21.200 -9.834 58.920 1.00 16.44 C ANISOU 856 CB THR A 121 1849 2406 1992 -78 100 -64 C ATOM 857 OG1 THR A 121 21.383 -8.475 58.513 1.00 16.67 O ANISOU 857 OG1 THR A 121 1867 2424 2042 1 72 -70 O ATOM 858 CG2 THR A 121 19.890 -10.354 58.340 1.00 21.59 C ANISOU 858 CG2 THR A 121 2437 3142 2626 -128 104 -73 C ATOM 0 H THR A 121 19.676 -8.574 60.466 1.00 9.44 H new ATOM 0 HA THR A 121 21.096 -10.799 60.773 1.00 11.18 H new ATOM 0 HB THR A 121 21.929 -10.387 58.598 1.00 16.44 H new ATOM 0 HG1 THR A 121 20.733 -8.234 58.039 1.00 16.67 H new ATOM 0 HG21 THR A 121 19.927 -10.315 57.371 1.00 21.59 H new ATOM 0 HG22 THR A 121 19.753 -11.272 58.621 1.00 21.59 H new ATOM 0 HG23 THR A 121 19.155 -9.806 58.657 1.00 21.59 H new ATOM 859 N ILE A 122 22.388 -8.119 61.588 1.00 8.50 N ANISOU 859 N ILE A 122 897 1345 987 33 115 -78 N ATOM 860 CA ILE A 122 23.591 -7.444 62.076 1.00 8.14 C ANISOU 860 CA ILE A 122 906 1233 955 72 99 -75 C ATOM 861 C ILE A 122 23.696 -7.558 63.596 1.00 13.16 C ANISOU 861 C ILE A 122 1563 1874 1563 69 122 -82 C ATOM 862 O ILE A 122 22.866 -7.017 64.320 1.00 11.00 O ANISOU 862 O ILE A 122 1259 1651 1270 95 141 -104 O ATOM 863 CB ILE A 122 23.627 -5.970 61.613 1.00 8.14 C ANISOU 863 CB ILE A 122 899 1219 975 143 72 -88 C ATOM 864 CG1 ILE A 122 23.779 -5.913 60.088 1.00 9.72 C ANISOU 864 CG1 ILE A 122 1094 1400 1197 141 46 -74 C ATOM 865 CG2 ILE A 122 24.792 -5.222 62.287 1.00 7.91 C ANISOU 865 CG2 ILE A 122 925 1128 954 171 57 -89 C ATOM 866 CD1 ILE A 122 23.675 -4.517 59.509 1.00 11.82 C ANISOU 866 CD1 ILE A 122 1360 1652 1478 208 19 -82 C ATOM 0 H ILE A 122 21.653 -7.701 61.744 1.00 8.50 H new ATOM 0 HA ILE A 122 24.364 -7.887 61.693 1.00 8.14 H new ATOM 0 HB ILE A 122 22.796 -5.540 61.870 1.00 8.14 H new ATOM 0 HG12 ILE A 122 24.638 -6.291 59.844 1.00 9.72 H new ATOM 0 HG13 ILE A 122 23.098 -6.472 59.683 1.00 9.72 H new ATOM 0 HG21 ILE A 122 24.801 -4.300 61.987 1.00 7.91 H new ATOM 0 HG22 ILE A 122 24.679 -5.247 63.250 1.00 7.91 H new ATOM 0 HG23 ILE A 122 25.631 -5.647 62.049 1.00 7.91 H new ATOM 0 HD11 ILE A 122 23.780 -4.557 58.546 1.00 11.82 H new ATOM 0 HD12 ILE A 122 22.807 -4.141 59.724 1.00 11.82 H new ATOM 0 HD13 ILE A 122 24.371 -3.957 59.886 1.00 11.82 H new ATOM 867 N ASP A 123 24.707 -8.288 64.069 1.00 8.76 N ANISOU 867 N ASP A 123 1058 1269 1001 39 121 -62 N ATOM 868 CA ASP A 123 24.853 -8.572 65.502 1.00 9.48 C ANISOU 868 CA ASP A 123 1179 1364 1059 29 141 -63 C ATOM 869 C ASP A 123 25.681 -7.510 66.218 1.00 10.62 C ANISOU 869 C ASP A 123 1354 1474 1205 77 119 -74 C ATOM 870 O ASP A 123 25.889 -7.572 67.437 1.00 10.50 O ANISOU 870 O ASP A 123 1369 1461 1160 75 129 -78 O ATOM 871 CB ASP A 123 25.503 -9.946 65.716 1.00 8.95 C ANISOU 871 CB ASP A 123 1159 1262 979 -23 147 -34 C ATOM 872 CG ASP A 123 24.685 -11.074 65.112 1.00 12.07 C ANISOU 872 CG ASP A 123 1539 1683 1365 -83 170 -24 C ATOM 873 OD1 ASP A 123 23.440 -10.954 65.087 1.00 9.39 O ANISOU 873 OD1 ASP A 123 1146 1410 1011 -98 193 -41 O ATOM 874 OD2 ASP A 123 25.286 -12.078 64.667 1.00 8.71 O ANISOU 874 OD2 ASP A 123 1154 1211 943 -114 166 -1 O ATOM 0 H ASP A 123 25.323 -8.630 63.576 1.00 8.76 H new ATOM 0 HA ASP A 123 23.960 -8.566 65.880 1.00 9.48 H new ATOM 0 HB2 ASP A 123 26.390 -9.946 65.323 1.00 8.95 H new ATOM 0 HB3 ASP A 123 25.614 -10.104 66.667 1.00 8.95 H new ATOM 875 N GLY A 124 26.169 -6.541 65.456 1.00 8.66 N ANISOU 875 N GLY A 124 1106 1195 991 114 89 -80 N ATOM 876 CA GLY A 124 26.981 -5.484 66.027 1.00 9.27 C ANISOU 876 CA GLY A 124 1217 1234 1070 149 66 -92 C ATOM 877 C GLY A 124 27.856 -4.852 64.967 1.00 10.88 C ANISOU 877 C GLY A 124 1432 1390 1313 162 32 -84 C ATOM 878 O GLY A 124 27.779 -5.222 63.793 1.00 10.08 O ANISOU 878 O GLY A 124 1311 1286 1234 150 30 -69 O ATOM 0 H GLY A 124 26.041 -6.479 64.608 1.00 8.66 H new ATOM 0 HA2 GLY A 124 26.409 -4.810 66.425 1.00 9.27 H new ATOM 0 HA3 GLY A 124 27.534 -5.843 66.738 1.00 9.27 H new ATOM 879 N LEU A 125 28.680 -3.892 65.379 1.00 7.62 N ANISOU 879 N LEU A 125 1053 939 904 181 8 -94 N ATOM 880 CA LEU A 125 29.602 -3.223 64.463 1.00 7.44 C ANISOU 880 CA LEU A 125 1044 869 913 184 -21 -85 C ATOM 881 C LEU A 125 31.050 -3.435 64.900 1.00 9.24 C ANISOU 881 C LEU A 125 1297 1067 1145 158 -43 -71 C ATOM 882 O LEU A 125 31.341 -3.514 66.091 1.00 12.12 O ANISOU 882 O LEU A 125 1682 1438 1484 153 -46 -78 O ATOM 883 CB LEU A 125 29.302 -1.716 64.391 1.00 8.79 C ANISOU 883 CB LEU A 125 1236 1017 1087 226 -34 -109 C ATOM 884 CG LEU A 125 28.368 -1.241 63.262 1.00 8.24 C ANISOU 884 CG LEU A 125 1143 957 1032 258 -32 -111 C ATOM 885 CD1 LEU A 125 26.966 -1.831 63.418 1.00 13.52 C ANISOU 885 CD1 LEU A 125 1763 1692 1683 273 -3 -120 C ATOM 886 CD2 LEU A 125 28.303 0.285 63.239 1.00 8.26 C ANISOU 886 CD2 LEU A 125 1186 919 1035 304 -50 -132 C ATOM 0 H LEU A 125 28.721 -3.611 66.191 1.00 7.62 H new ATOM 0 HA LEU A 125 29.478 -3.612 63.583 1.00 7.44 H new ATOM 0 HB2 LEU A 125 28.913 -1.445 65.237 1.00 8.79 H new ATOM 0 HB3 LEU A 125 30.145 -1.245 64.303 1.00 8.79 H new ATOM 0 HG LEU A 125 28.731 -1.554 62.419 1.00 8.24 H new ATOM 0 HD11 LEU A 125 26.400 -1.516 62.696 1.00 13.52 H new ATOM 0 HD12 LEU A 125 27.017 -2.799 63.390 1.00 13.52 H new ATOM 0 HD13 LEU A 125 26.590 -1.552 64.268 1.00 13.52 H new ATOM 0 HD21 LEU A 125 27.713 0.573 62.525 1.00 8.26 H new ATOM 0 HD22 LEU A 125 27.964 0.607 64.089 1.00 8.26 H new ATOM 0 HD23 LEU A 125 29.191 0.645 63.089 1.00 8.26 H new ATOM 887 N LEU A 126 31.953 -3.530 63.929 1.00 7.02 N ANISOU 887 N LEU A 126 1012 761 893 141 -58 -51 N ATOM 888 CA LEU A 126 33.384 -3.569 64.226 1.00 7.00 C ANISOU 888 CA LEU A 126 1020 740 898 120 -81 -39 C ATOM 889 C LEU A 126 34.052 -2.364 63.573 1.00 9.59 C ANISOU 889 C LEU A 126 1361 1033 1248 115 -103 -44 C ATOM 890 O LEU A 126 34.232 -2.320 62.353 1.00 7.84 O ANISOU 890 O LEU A 126 1128 800 1051 109 -101 -29 O ATOM 891 CB LEU A 126 34.020 -4.895 63.764 1.00 6.77 C ANISOU 891 CB LEU A 126 974 719 881 104 -75 -10 C ATOM 892 CG LEU A 126 35.471 -5.112 64.237 1.00 6.87 C ANISOU 892 CG LEU A 126 986 727 896 92 -99 3 C ATOM 893 CD1 LEU A 126 35.777 -6.590 64.482 1.00 8.91 C ANISOU 893 CD1 LEU A 126 1242 997 1145 94 -90 26 C ATOM 894 CD2 LEU A 126 36.480 -4.546 63.236 1.00 10.91 C ANISOU 894 CD2 LEU A 126 1482 1223 1439 78 -113 11 C ATOM 0 H LEU A 126 31.760 -3.573 63.092 1.00 7.02 H new ATOM 0 HA LEU A 126 33.516 -3.524 65.186 1.00 7.00 H new ATOM 0 HB2 LEU A 126 33.475 -5.630 64.085 1.00 6.77 H new ATOM 0 HB3 LEU A 126 34.000 -4.929 62.795 1.00 6.77 H new ATOM 0 HG LEU A 126 35.557 -4.634 65.077 1.00 6.87 H new ATOM 0 HD11 LEU A 126 36.696 -6.686 64.777 1.00 8.91 H new ATOM 0 HD12 LEU A 126 35.181 -6.935 65.165 1.00 8.91 H new ATOM 0 HD13 LEU A 126 35.649 -7.088 63.659 1.00 8.91 H new ATOM 0 HD21 LEU A 126 37.381 -4.698 63.563 1.00 10.91 H new ATOM 0 HD22 LEU A 126 36.368 -4.987 62.379 1.00 10.91 H new ATOM 0 HD23 LEU A 126 36.332 -3.593 63.131 1.00 10.91 H new ATOM 895 N GLY A 127 34.399 -1.373 64.386 1.00 7.36 N ANISOU 895 N GLY A 127 1110 734 953 113 -124 -64 N ATOM 896 CA GLY A 127 34.942 -0.133 63.862 1.00 8.77 C ANISOU 896 CA GLY A 127 1314 872 1146 100 -144 -70 C ATOM 897 C GLY A 127 36.377 -0.243 63.377 1.00 10.91 C ANISOU 897 C GLY A 127 1568 1139 1440 58 -161 -49 C ATOM 898 O GLY A 127 37.222 -0.870 64.026 1.00 11.67 O ANISOU 898 O GLY A 127 1645 1260 1531 41 -173 -41 O ATOM 0 H GLY A 127 34.327 -1.401 65.243 1.00 7.36 H new ATOM 0 HA2 GLY A 127 34.384 0.169 63.128 1.00 8.77 H new ATOM 0 HA3 GLY A 127 34.895 0.547 64.552 1.00 8.77 H new ATOM 899 N LEU A 128 36.649 0.392 62.236 1.00 7.52 N ANISOU 899 N LEU A 128 1144 682 1031 43 -162 -40 N ATOM 900 CA LEU A 128 37.951 0.331 61.578 1.00 7.56 C ANISOU 900 CA LEU A 128 1125 690 1056 1 -169 -20 C ATOM 901 C LEU A 128 38.459 1.720 61.196 1.00 7.93 C ANISOU 901 C LEU A 128 1212 694 1108 -35 -186 -25 C ATOM 902 O LEU A 128 39.403 1.856 60.420 1.00 9.56 O ANISOU 902 O LEU A 128 1401 901 1331 -76 -186 -8 O ATOM 903 CB LEU A 128 37.894 -0.577 60.338 1.00 7.99 C ANISOU 903 CB LEU A 128 1145 760 1129 9 -144 6 C ATOM 904 CG LEU A 128 37.689 -2.064 60.639 1.00 8.28 C ANISOU 904 CG LEU A 128 1149 833 1162 31 -128 15 C ATOM 905 CD1 LEU A 128 37.406 -2.836 59.359 1.00 10.95 C ANISOU 905 CD1 LEU A 128 1470 1177 1512 39 -102 33 C ATOM 906 CD2 LEU A 128 38.913 -2.630 61.354 1.00 12.83 C ANISOU 906 CD2 LEU A 128 1699 1438 1740 16 -144 24 C ATOM 0 H LEU A 128 36.074 0.876 61.819 1.00 7.52 H new ATOM 0 HA LEU A 128 38.577 -0.048 62.214 1.00 7.56 H new ATOM 0 HB2 LEU A 128 37.173 -0.274 59.764 1.00 7.99 H new ATOM 0 HB3 LEU A 128 38.718 -0.472 59.838 1.00 7.99 H new ATOM 0 HG LEU A 128 36.920 -2.159 61.223 1.00 8.28 H new ATOM 0 HD11 LEU A 128 37.279 -3.775 59.568 1.00 10.95 H new ATOM 0 HD12 LEU A 128 36.603 -2.487 58.941 1.00 10.95 H new ATOM 0 HD13 LEU A 128 38.155 -2.739 58.750 1.00 10.95 H new ATOM 0 HD21 LEU A 128 38.773 -3.572 61.540 1.00 12.83 H new ATOM 0 HD22 LEU A 128 39.695 -2.525 60.790 1.00 12.83 H new ATOM 0 HD23 LEU A 128 39.050 -2.153 62.188 1.00 12.83 H new ATOM 907 N ALA A 129 37.835 2.759 61.744 1.00 8.22 N ANISOU 907 N ALA A 129 1305 691 1127 -22 -197 -51 N ATOM 908 CA ALA A 129 38.407 4.096 61.636 1.00 8.71 C ANISOU 908 CA ALA A 129 1421 703 1187 -64 -217 -60 C ATOM 909 C ALA A 129 39.505 4.272 62.696 1.00 11.50 C ANISOU 909 C ALA A 129 1770 1071 1530 -115 -246 -73 C ATOM 910 O ALA A 129 39.962 3.294 63.306 1.00 12.21 O ANISOU 910 O ALA A 129 1808 1214 1618 -116 -250 -67 O ATOM 911 CB ALA A 129 37.329 5.165 61.777 1.00 8.99 C ANISOU 911 CB ALA A 129 1529 682 1204 -22 -219 -83 C ATOM 0 H ALA A 129 37.092 2.713 62.175 1.00 8.22 H new ATOM 0 HA ALA A 129 38.802 4.200 60.756 1.00 8.71 H new ATOM 0 HB1 ALA A 129 37.733 6.044 61.702 1.00 8.99 H new ATOM 0 HB2 ALA A 129 36.668 5.052 61.076 1.00 8.99 H new ATOM 0 HB3 ALA A 129 36.900 5.080 62.643 1.00 8.99 H new ATOM 912 N PHE A 130 39.934 5.507 62.917 1.00 10.38 N ANISOU 912 N PHE A 130 1687 880 1376 -160 -268 -89 N ATOM 913 CA PHE A 130 41.049 5.740 63.834 1.00 10.08 C ANISOU 913 CA PHE A 130 1643 860 1326 -222 -300 -102 C ATOM 914 C PHE A 130 40.588 5.747 65.292 1.00 14.66 C ANISOU 914 C PHE A 130 2254 1445 1873 -194 -317 -135 C ATOM 915 O PHE A 130 39.481 6.172 65.589 1.00 11.85 O ANISOU 915 O PHE A 130 1952 1050 1499 -142 -305 -157 O ATOM 916 CB PHE A 130 41.834 6.991 63.419 1.00 14.21 C ANISOU 916 CB PHE A 130 2216 1334 1850 -300 -317 -106 C ATOM 917 CG PHE A 130 42.502 6.834 62.081 1.00 11.63 C ANISOU 917 CG PHE A 130 1847 1022 1551 -339 -299 -70 C ATOM 918 CD1 PHE A 130 41.822 7.147 60.909 1.00 15.22 C ANISOU 918 CD1 PHE A 130 2337 1432 2015 -312 -273 -54 C ATOM 919 CD2 PHE A 130 43.780 6.301 61.984 1.00 15.39 C ANISOU 919 CD2 PHE A 130 2243 1564 2042 -395 -305 -54 C ATOM 920 CE1 PHE A 130 42.418 6.967 59.670 1.00 10.95 C ANISOU 920 CE1 PHE A 130 1761 907 1495 -348 -252 -22 C ATOM 921 CE2 PHE A 130 44.384 6.107 60.740 1.00 18.66 C ANISOU 921 CE2 PHE A 130 2613 1998 2478 -426 -281 -23 C ATOM 922 CZ PHE A 130 43.705 6.446 59.585 1.00 15.59 C ANISOU 922 CZ PHE A 130 2269 1560 2096 -406 -253 -7 C ATOM 0 H PHE A 130 39.603 6.214 62.556 1.00 10.38 H new ATOM 0 HA PHE A 130 41.670 4.997 63.771 1.00 10.08 H new ATOM 0 HB2 PHE A 130 41.233 7.752 63.390 1.00 14.21 H new ATOM 0 HB3 PHE A 130 42.505 7.186 64.091 1.00 14.21 H new ATOM 0 HD1 PHE A 130 40.956 7.482 60.957 1.00 15.22 H new ATOM 0 HD2 PHE A 130 44.240 6.070 62.758 1.00 15.39 H new ATOM 0 HE1 PHE A 130 41.957 7.195 58.895 1.00 10.95 H new ATOM 0 HE2 PHE A 130 45.241 5.750 60.689 1.00 18.66 H new ATOM 0 HZ PHE A 130 44.107 6.326 58.755 1.00 15.59 H new ATOM 923 N SER A 131 41.417 5.231 66.197 1.00 13.98 N ANISOU 923 N SER A 131 2128 1410 1775 -223 -342 -138 N ATOM 924 CA SER A 131 40.969 5.008 67.573 1.00 10.48 C ANISOU 924 CA SER A 131 1707 980 1295 -192 -355 -163 C ATOM 925 C SER A 131 40.639 6.308 68.322 1.00 13.51 C ANISOU 925 C SER A 131 2187 1302 1643 -205 -372 -207 C ATOM 926 O SER A 131 39.997 6.280 69.373 1.00 17.81 O ANISOU 926 O SER A 131 2766 1848 2153 -168 -371 -233 O ATOM 927 CB SER A 131 41.992 4.171 68.354 1.00 14.58 C ANISOU 927 CB SER A 131 2166 1569 1804 -218 -385 -153 C ATOM 928 OG SER A 131 42.165 2.892 67.761 1.00 11.28 O ANISOU 928 OG SER A 131 1671 1201 1413 -190 -365 -116 O ATOM 0 H SER A 131 42.232 5.006 66.040 1.00 13.98 H new ATOM 0 HA SER A 131 40.138 4.511 67.511 1.00 10.48 H new ATOM 0 HB2 SER A 131 42.843 4.636 68.380 1.00 14.58 H new ATOM 0 HB3 SER A 131 41.697 4.068 69.272 1.00 14.58 H new ATOM 0 HG SER A 131 42.985 2.720 67.700 1.00 11.28 H new ATOM 929 N THR A 132 41.063 7.443 67.773 1.00 11.52 N ANISOU 929 N THR A 132 1985 993 1398 -257 -383 -214 N ATOM 930 CA THR A 132 40.711 8.738 68.343 1.00 12.16 C ANISOU 930 CA THR A 132 2174 998 1446 -265 -396 -255 C ATOM 931 C THR A 132 39.190 8.974 68.395 1.00 12.01 C ANISOU 931 C THR A 132 2208 939 1414 -169 -363 -274 C ATOM 932 O THR A 132 38.719 9.808 69.172 1.00 12.54 O ANISOU 932 O THR A 132 2362 958 1446 -150 -369 -315 O ATOM 933 CB THR A 132 41.373 9.901 67.583 1.00 18.68 C ANISOU 933 CB THR A 132 3056 1759 2282 -340 -410 -254 C ATOM 934 OG1 THR A 132 41.015 9.829 66.199 1.00 17.25 O ANISOU 934 OG1 THR A 132 2858 1560 2136 -315 -379 -220 O ATOM 935 CG2 THR A 132 42.884 9.827 67.712 1.00 19.72 C ANISOU 935 CG2 THR A 132 3136 1937 2418 -444 -445 -244 C ATOM 0 H THR A 132 41.556 7.484 67.069 1.00 11.52 H new ATOM 0 HA THR A 132 41.049 8.716 69.252 1.00 12.16 H new ATOM 0 HB THR A 132 41.064 10.738 67.963 1.00 18.68 H new ATOM 0 HG1 THR A 132 41.634 10.152 65.732 1.00 17.25 H new ATOM 0 HG21 THR A 132 43.287 10.565 67.229 1.00 19.72 H new ATOM 0 HG22 THR A 132 43.132 9.880 68.648 1.00 19.72 H new ATOM 0 HG23 THR A 132 43.200 8.988 67.342 1.00 19.72 H new ATOM 936 N LEU A 133 38.424 8.247 67.581 1.00 11.37 N ANISOU 936 N LEU A 133 2076 884 1361 -109 -329 -247 N ATOM 937 CA LEU A 133 36.961 8.382 67.611 1.00 11.28 C ANISOU 937 CA LEU A 133 2095 854 1339 -17 -298 -264 C ATOM 938 C LEU A 133 36.264 7.456 68.604 1.00 11.04 C ANISOU 938 C LEU A 133 2025 885 1285 33 -281 -275 C ATOM 939 O LEU A 133 35.048 7.543 68.786 1.00 13.20 O ANISOU 939 O LEU A 133 2315 1157 1545 106 -253 -293 O ATOM 940 CB LEU A 133 36.346 8.142 66.224 1.00 10.84 C ANISOU 940 CB LEU A 133 2006 796 1318 23 -273 -231 C ATOM 941 CG LEU A 133 36.712 9.133 65.125 1.00 14.05 C ANISOU 941 CG LEU A 133 2465 1133 1741 -8 -281 -218 C ATOM 942 CD1 LEU A 133 36.034 8.735 63.823 1.00 17.73 C ANISOU 942 CD1 LEU A 133 2893 1610 2235 37 -257 -185 C ATOM 943 CD2 LEU A 133 36.344 10.554 65.525 1.00 17.59 C ANISOU 943 CD2 LEU A 133 3031 1492 2160 10 -293 -254 C ATOM 0 H LEU A 133 38.723 7.677 67.011 1.00 11.37 H new ATOM 0 HA LEU A 133 36.813 9.295 67.902 1.00 11.28 H new ATOM 0 HB2 LEU A 133 36.605 7.255 65.929 1.00 10.84 H new ATOM 0 HB3 LEU A 133 35.381 8.139 66.318 1.00 10.84 H new ATOM 0 HG LEU A 133 37.673 9.110 64.993 1.00 14.05 H new ATOM 0 HD11 LEU A 133 36.270 9.369 63.128 1.00 17.73 H new ATOM 0 HD12 LEU A 133 36.327 7.847 63.564 1.00 17.73 H new ATOM 0 HD13 LEU A 133 35.072 8.735 63.946 1.00 17.73 H new ATOM 0 HD21 LEU A 133 36.586 11.164 64.811 1.00 17.59 H new ATOM 0 HD22 LEU A 133 35.389 10.608 65.686 1.00 17.59 H new ATOM 0 HD23 LEU A 133 36.822 10.797 66.333 1.00 17.59 H new ATOM 944 N ASN A 134 37.013 6.567 69.240 1.00 11.77 N ANISOU 944 N ASN A 134 2068 1035 1371 -5 -296 -264 N ATOM 945 CA ASN A 134 36.392 5.570 70.106 1.00 10.65 C ANISOU 945 CA ASN A 134 1891 950 1204 35 -277 -267 C ATOM 946 C ASN A 134 35.659 6.223 71.273 1.00 11.18 C ANISOU 946 C ASN A 134 2027 998 1222 72 -270 -313 C ATOM 947 O ASN A 134 36.181 7.164 71.875 1.00 12.02 O ANISOU 947 O ASN A 134 2202 1062 1302 38 -299 -344 O ATOM 948 CB ASN A 134 37.426 4.573 70.617 1.00 10.50 C ANISOU 948 CB ASN A 134 1820 988 1183 -9 -301 -244 C ATOM 949 CG ASN A 134 36.826 3.571 71.567 1.00 13.36 C ANISOU 949 CG ASN A 134 2162 1401 1513 26 -282 -244 C ATOM 950 OD1 ASN A 134 36.871 3.752 72.784 1.00 12.48 O ANISOU 950 OD1 ASN A 134 2090 1297 1355 22 -296 -270 O ATOM 951 ND2 ASN A 134 36.243 2.513 71.020 1.00 9.85 N ANISOU 951 ND2 ASN A 134 1664 991 1089 57 -250 -215 N ATOM 0 H ASN A 134 37.870 6.521 69.187 1.00 11.77 H new ATOM 0 HA ASN A 134 35.738 5.090 69.574 1.00 10.65 H new ATOM 0 HB2 ASN A 134 37.823 4.106 69.865 1.00 10.50 H new ATOM 0 HB3 ASN A 134 38.142 5.052 71.063 1.00 10.50 H new ATOM 0 HD21 ASN A 134 35.876 1.918 71.520 1.00 9.85 H new ATOM 0 HD22 ASN A 134 36.232 2.422 70.165 1.00 9.85 H new ATOM 952 N THR A 135 34.457 5.740 71.590 1.00 11.05 N ANISOU 952 N THR A 135 1995 1014 1189 136 -231 -321 N ATOM 953 CA THR A 135 33.613 6.444 72.567 1.00 11.63 C ANISOU 953 CA THR A 135 2132 1070 1215 184 -214 -369 C ATOM 954 C THR A 135 33.703 5.951 74.010 1.00 15.84 C ANISOU 954 C THR A 135 2677 1646 1695 173 -215 -386 C ATOM 955 O THR A 135 32.999 6.467 74.872 1.00 15.37 O ANISOU 955 O THR A 135 2671 1580 1591 213 -196 -428 O ATOM 956 CB THR A 135 32.120 6.471 72.177 1.00 13.17 C ANISOU 956 CB THR A 135 2310 1279 1415 268 -166 -377 C ATOM 957 OG1 THR A 135 31.540 5.174 72.361 1.00 12.90 O ANISOU 957 OG1 THR A 135 2202 1322 1378 280 -135 -355 O ATOM 958 CG2 THR A 135 31.946 6.917 70.723 1.00 13.51 C ANISOU 958 CG2 THR A 135 2343 1284 1506 285 -167 -356 C ATOM 0 H THR A 135 34.115 5.023 71.261 1.00 11.05 H new ATOM 0 HA THR A 135 33.993 7.336 72.536 1.00 11.63 H new ATOM 0 HB THR A 135 31.667 7.108 72.751 1.00 13.17 H new ATOM 0 HG1 THR A 135 31.938 4.617 71.874 1.00 12.90 H new ATOM 0 HG21 THR A 135 31.002 6.927 70.498 1.00 13.51 H new ATOM 0 HG22 THR A 135 32.314 7.807 70.611 1.00 13.51 H new ATOM 0 HG23 THR A 135 32.411 6.299 70.137 1.00 13.51 H new ATOM 959 N VAL A 136 34.554 4.972 74.285 1.00 11.60 N ANISOU 959 N VAL A 136 2095 1153 1159 125 -237 -356 N ATOM 960 CA VAL A 136 34.633 4.466 75.653 1.00 11.89 C ANISOU 960 CA VAL A 136 2148 1230 1139 117 -242 -368 C ATOM 961 C VAL A 136 35.134 5.536 76.623 1.00 14.48 C ANISOU 961 C VAL A 136 2562 1520 1419 91 -275 -414 C ATOM 962 O VAL A 136 36.138 6.198 76.367 1.00 15.15 O ANISOU 962 O VAL A 136 2671 1568 1518 37 -320 -417 O ATOM 963 CB VAL A 136 35.493 3.197 75.759 1.00 11.53 C ANISOU 963 CB VAL A 136 2044 1236 1101 78 -265 -323 C ATOM 964 CG1 VAL A 136 35.635 2.774 77.222 1.00 13.31 C ANISOU 964 CG1 VAL A 136 2299 1497 1260 69 -276 -334 C ATOM 965 CG2 VAL A 136 34.874 2.064 74.920 1.00 12.14 C ANISOU 965 CG2 VAL A 136 2051 1347 1216 105 -226 -282 C ATOM 0 H VAL A 136 35.079 4.596 73.718 1.00 11.60 H new ATOM 0 HA VAL A 136 33.728 4.226 75.906 1.00 11.89 H new ATOM 0 HB VAL A 136 36.378 3.387 75.410 1.00 11.53 H new ATOM 0 HG11 VAL A 136 36.179 1.973 77.276 1.00 13.31 H new ATOM 0 HG12 VAL A 136 36.059 3.487 77.725 1.00 13.31 H new ATOM 0 HG13 VAL A 136 34.757 2.594 77.594 1.00 13.31 H new ATOM 0 HG21 VAL A 136 35.424 1.269 74.994 1.00 12.14 H new ATOM 0 HG22 VAL A 136 33.981 1.870 75.246 1.00 12.14 H new ATOM 0 HG23 VAL A 136 34.826 2.338 73.991 1.00 12.14 H new ATOM 966 N SER A 137 34.395 5.712 77.716 1.00 13.12 N ANISOU 966 N SER A 137 2439 1358 1188 126 -251 -450 N ATOM 967 CA SER A 137 34.732 6.668 78.763 1.00 14.04 C ANISOU 967 CA SER A 137 2648 1439 1246 106 -278 -500 C ATOM 968 C SER A 137 34.826 5.925 80.098 1.00 14.19 C ANISOU 968 C SER A 137 2676 1516 1200 95 -282 -503 C ATOM 969 O SER A 137 34.059 5.005 80.348 1.00 13.95 O ANISOU 969 O SER A 137 2606 1538 1156 130 -239 -485 O ATOM 970 CB SER A 137 33.656 7.756 78.829 1.00 18.87 C ANISOU 970 CB SER A 137 3329 2001 1840 173 -239 -551 C ATOM 971 OG SER A 137 33.881 8.643 79.910 1.00 22.81 O ANISOU 971 OG SER A 137 3929 2463 2274 159 -258 -605 O ATOM 0 H SER A 137 33.673 5.272 77.871 1.00 13.12 H new ATOM 0 HA SER A 137 35.584 7.089 78.571 1.00 14.04 H new ATOM 0 HB2 SER A 137 33.646 8.254 77.997 1.00 18.87 H new ATOM 0 HB3 SER A 137 32.783 7.344 78.923 1.00 18.87 H new ATOM 0 HG SER A 137 33.455 8.378 80.584 1.00 22.81 H new ATOM 972 N PRO A 138 35.754 6.329 80.977 1.00 14.77 N ANISOU 972 N PRO A 138 2803 1580 1228 41 -334 -525 N ATOM 973 CA PRO A 138 36.661 7.478 80.905 1.00 15.86 C ANISOU 973 CA PRO A 138 3001 1658 1366 -15 -387 -554 C ATOM 974 C PRO A 138 38.009 7.148 80.265 1.00 16.63 C ANISOU 974 C PRO A 138 3035 1772 1511 -88 -443 -513 C ATOM 975 O PRO A 138 38.864 8.031 80.144 1.00 15.94 O ANISOU 975 O PRO A 138 2985 1644 1427 -151 -489 -531 O ATOM 976 CB PRO A 138 36.856 7.835 82.380 1.00 16.37 C ANISOU 976 CB PRO A 138 3149 1728 1343 -36 -411 -599 C ATOM 977 CG PRO A 138 36.766 6.521 83.079 1.00 15.89 C ANISOU 977 CG PRO A 138 3039 1748 1251 -25 -403 -566 C ATOM 978 CD PRO A 138 35.818 5.662 82.290 1.00 16.55 C ANISOU 978 CD PRO A 138 3047 1860 1382 34 -341 -527 C ATOM 0 HA PRO A 138 36.299 8.189 80.354 1.00 15.86 H new ATOM 0 HB2 PRO A 138 37.714 8.261 82.533 1.00 16.37 H new ATOM 0 HB3 PRO A 138 36.174 8.451 82.690 1.00 16.37 H new ATOM 0 HG2 PRO A 138 37.640 6.103 83.136 1.00 15.89 H new ATOM 0 HG3 PRO A 138 36.447 6.638 83.988 1.00 15.89 H new ATOM 0 HD2 PRO A 138 36.143 4.751 82.212 1.00 16.55 H new ATOM 0 HD3 PRO A 138 34.945 5.616 82.710 1.00 16.55 H new ATOM 979 N THR A 139 38.197 5.896 79.868 1.00 14.32 N ANISOU 979 N THR A 139 2651 1540 1252 -81 -439 -458 N ATOM 980 CA THR A 139 39.442 5.485 79.226 1.00 14.08 C ANISOU 980 CA THR A 139 2549 1534 1266 -137 -485 -417 C ATOM 981 C THR A 139 39.168 5.009 77.803 1.00 15.46 C ANISOU 981 C THR A 139 2652 1707 1517 -110 -450 -376 C ATOM 982 O THR A 139 38.615 3.928 77.596 1.00 13.65 O ANISOU 982 O THR A 139 2371 1514 1300 -67 -415 -344 O ATOM 983 CB THR A 139 40.129 4.340 80.006 1.00 14.13 C ANISOU 983 CB THR A 139 2511 1615 1243 -150 -520 -385 C ATOM 984 OG1 THR A 139 40.278 4.709 81.385 1.00 15.04 O ANISOU 984 OG1 THR A 139 2697 1738 1278 -170 -551 -422 O ATOM 985 CG2 THR A 139 41.501 4.028 79.399 1.00 15.13 C ANISOU 985 CG2 THR A 139 2562 1775 1413 -203 -572 -349 C ATOM 0 H THR A 139 37.617 5.268 79.960 1.00 14.32 H new ATOM 0 HA THR A 139 40.030 6.256 79.215 1.00 14.08 H new ATOM 0 HB THR A 139 39.574 3.546 79.946 1.00 14.13 H new ATOM 0 HG1 THR A 139 40.650 4.083 81.804 1.00 15.04 H new ATOM 0 HG21 THR A 139 41.920 3.309 79.898 1.00 15.13 H new ATOM 0 HG22 THR A 139 41.392 3.758 78.474 1.00 15.13 H new ATOM 0 HG23 THR A 139 42.061 4.819 79.441 1.00 15.13 H new ATOM 986 N GLN A 140 39.553 5.824 76.827 1.00 13.68 N ANISOU 986 N GLN A 140 2429 1435 1335 -142 -459 -379 N ATOM 987 CA GLN A 140 39.315 5.503 75.421 1.00 14.12 C ANISOU 987 CA GLN A 140 2426 1483 1457 -121 -428 -343 C ATOM 988 C GLN A 140 40.025 4.198 75.036 1.00 15.75 C ANISOU 988 C GLN A 140 2536 1754 1694 -130 -439 -291 C ATOM 989 O GLN A 140 41.137 3.924 75.502 1.00 15.30 O ANISOU 989 O GLN A 140 2451 1737 1625 -175 -486 -280 O ATOM 990 CB GLN A 140 39.808 6.660 74.553 1.00 17.78 C ANISOU 990 CB GLN A 140 2919 1885 1952 -167 -444 -354 C ATOM 991 CG GLN A 140 39.339 6.633 73.113 1.00 25.19 C ANISOU 991 CG GLN A 140 3825 2799 2947 -139 -408 -327 C ATOM 992 CD GLN A 140 39.738 7.895 72.367 1.00 25.96 C ANISOU 992 CD GLN A 140 3975 2824 3063 -185 -421 -339 C ATOM 993 OE1 GLN A 140 40.880 8.341 72.454 1.00 27.69 O ANISOU 993 OE1 GLN A 140 4199 3041 3281 -266 -463 -341 O ATOM 994 NE2 GLN A 140 38.790 8.489 71.651 1.00 16.71 N ANISOU 994 NE2 GLN A 140 2846 1597 1907 -135 -388 -346 N ATOM 0 H GLN A 140 39.956 6.572 76.957 1.00 13.68 H new ATOM 0 HA GLN A 140 38.364 5.376 75.278 1.00 14.12 H new ATOM 0 HB2 GLN A 140 39.519 7.494 74.956 1.00 17.78 H new ATOM 0 HB3 GLN A 140 40.778 6.661 74.562 1.00 17.78 H new ATOM 0 HG2 GLN A 140 39.715 5.859 72.665 1.00 25.19 H new ATOM 0 HG3 GLN A 140 38.374 6.534 73.089 1.00 25.19 H new ATOM 0 HE21 GLN A 140 38.002 8.147 71.614 1.00 16.71 H new ATOM 0 HE22 GLN A 140 38.965 9.215 71.225 1.00 16.71 H new ATOM 995 N GLN A 141 39.376 3.396 74.195 1.00 13.80 N ANISOU 995 N GLN A 141 2240 1518 1483 -84 -396 -260 N ATOM 996 CA GLN A 141 39.903 2.085 73.821 1.00 13.79 C ANISOU 996 CA GLN A 141 2161 1570 1508 -80 -398 -213 C ATOM 997 C GLN A 141 40.321 2.031 72.357 1.00 12.98 C ANISOU 997 C GLN A 141 2006 1459 1468 -93 -388 -185 C ATOM 998 O GLN A 141 39.859 2.832 71.544 1.00 13.76 O ANISOU 998 O GLN A 141 2128 1511 1590 -92 -368 -196 O ATOM 999 CB GLN A 141 38.856 1.000 74.090 1.00 11.14 C ANISOU 999 CB GLN A 141 1816 1259 1157 -25 -355 -198 C ATOM 1000 CG GLN A 141 38.400 0.929 75.536 1.00 11.08 C ANISOU 1000 CG GLN A 141 1859 1268 1084 -11 -356 -221 C ATOM 1001 CD GLN A 141 39.509 0.479 76.472 1.00 17.51 C ANISOU 1001 CD GLN A 141 2668 2121 1864 -40 -409 -209 C ATOM 1002 OE1 GLN A 141 40.080 -0.609 76.310 1.00 13.27 O ANISOU 1002 OE1 GLN A 141 2082 1621 1341 -34 -421 -168 O ATOM 1003 NE2 GLN A 141 39.828 1.319 77.457 1.00 12.86 N ANISOU 1003 NE2 GLN A 141 2135 1526 1228 -69 -444 -245 N ATOM 0 H GLN A 141 38.624 3.594 73.828 1.00 13.80 H new ATOM 0 HA GLN A 141 40.692 1.928 74.363 1.00 13.79 H new ATOM 0 HB2 GLN A 141 38.084 1.160 73.524 1.00 11.14 H new ATOM 0 HB3 GLN A 141 39.222 0.139 73.833 1.00 11.14 H new ATOM 0 HG2 GLN A 141 38.079 1.801 75.814 1.00 11.08 H new ATOM 0 HG3 GLN A 141 37.652 0.316 75.607 1.00 11.08 H new ATOM 0 HE21 GLN A 141 39.409 2.066 77.538 1.00 12.86 H new ATOM 0 HE22 GLN A 141 40.453 1.114 78.012 1.00 12.86 H new ATOM 1004 N LYS A 142 41.183 1.069 72.030 1.00 12.56 N ANISOU 1004 N LYS A 142 1884 1450 1436 -101 -402 -148 N ATOM 1005 CA LYS A 142 41.687 0.901 70.667 1.00 10.16 C ANISOU 1005 CA LYS A 142 1527 1148 1187 -113 -390 -121 C ATOM 1006 C LYS A 142 40.815 -0.009 69.806 1.00 13.41 C ANISOU 1006 C LYS A 142 1915 1557 1624 -63 -342 -97 C ATOM 1007 O LYS A 142 40.160 -0.922 70.309 1.00 11.46 O ANISOU 1007 O LYS A 142 1670 1327 1356 -25 -323 -89 O ATOM 1008 CB LYS A 142 43.105 0.329 70.699 1.00 12.54 C ANISOU 1008 CB LYS A 142 1762 1505 1499 -140 -427 -96 C ATOM 1009 CG LYS A 142 44.169 1.296 71.210 1.00 16.17 C ANISOU 1009 CG LYS A 142 2225 1975 1944 -208 -479 -117 C ATOM 1010 CD LYS A 142 45.512 0.584 71.339 1.00 17.19 C ANISOU 1010 CD LYS A 142 2273 2178 2081 -223 -517 -90 C ATOM 1011 CE LYS A 142 46.570 1.491 71.948 1.00 40.07 C ANISOU 1011 CE LYS A 142 5166 5100 4958 -299 -574 -112 C ATOM 1012 NZ LYS A 142 46.805 2.701 71.116 1.00 56.11 N ANISOU 1012 NZ LYS A 142 7214 7090 7014 -367 -568 -128 N ATOM 0 H LYS A 142 41.492 0.496 72.592 1.00 12.56 H new ATOM 0 HA LYS A 142 41.675 1.784 70.266 1.00 10.16 H new ATOM 0 HB2 LYS A 142 43.109 -0.463 71.259 1.00 12.54 H new ATOM 0 HB3 LYS A 142 43.347 0.045 69.804 1.00 12.54 H new ATOM 0 HG2 LYS A 142 44.251 2.047 70.602 1.00 16.17 H new ATOM 0 HG3 LYS A 142 43.902 1.655 72.071 1.00 16.17 H new ATOM 0 HD2 LYS A 142 45.408 -0.208 71.889 1.00 17.19 H new ATOM 0 HD3 LYS A 142 45.806 0.285 70.464 1.00 17.19 H new ATOM 0 HE2 LYS A 142 46.293 1.759 72.838 1.00 40.07 H new ATOM 0 HE3 LYS A 142 47.400 0.999 72.046 1.00 40.07 H new ATOM 0 HZ1 LYS A 142 47.522 3.134 71.417 1.00 56.11 H new ATOM 0 HZ2 LYS A 142 46.938 2.459 70.270 1.00 56.11 H new ATOM 0 HZ3 LYS A 142 46.095 3.236 71.163 1.00 56.11 H new ATOM 1013 N THR A 143 40.841 0.220 68.496 1.00 14.31 N ANISOU 1013 N THR A 143 2007 1651 1778 -70 -321 -85 N ATOM 1014 CA THR A 143 40.127 -0.647 67.561 1.00 11.08 C ANISOU 1014 CA THR A 143 1573 1242 1393 -32 -280 -63 C ATOM 1015 C THR A 143 40.842 -1.979 67.418 1.00 9.59 C ANISOU 1015 C THR A 143 1331 1096 1215 -19 -281 -30 C ATOM 1016 O THR A 143 42.015 -2.128 67.801 1.00 10.53 O ANISOU 1016 O THR A 143 1419 1248 1333 -39 -314 -21 O ATOM 1017 CB THR A 143 40.050 -0.036 66.158 1.00 12.33 C ANISOU 1017 CB THR A 143 1729 1370 1587 -45 -262 -57 C ATOM 1018 OG1 THR A 143 41.378 0.068 65.625 1.00 12.96 O ANISOU 1018 OG1 THR A 143 1767 1468 1690 -87 -280 -41 O ATOM 1019 CG2 THR A 143 39.402 1.365 66.196 1.00 8.75 C ANISOU 1019 CG2 THR A 143 1338 864 1123 -51 -264 -87 C ATOM 0 H THR A 143 41.265 0.871 68.128 1.00 14.31 H new ATOM 0 HA THR A 143 39.235 -0.760 67.924 1.00 11.08 H new ATOM 0 HB THR A 143 39.502 -0.608 65.598 1.00 12.33 H new ATOM 0 HG1 THR A 143 41.351 -0.003 64.788 1.00 12.96 H new ATOM 0 HG21 THR A 143 39.365 1.729 65.298 1.00 8.75 H new ATOM 0 HG22 THR A 143 38.503 1.296 66.554 1.00 8.75 H new ATOM 0 HG23 THR A 143 39.930 1.951 66.760 1.00 8.75 H new ATOM 1020 N PHE A 144 40.132 -2.943 66.846 1.00 10.63 N ANISOU 1020 N PHE A 144 1453 1227 1357 15 -245 -13 N ATOM 1021 CA PHE A 144 40.701 -4.258 66.573 1.00 9.30 C ANISOU 1021 CA PHE A 144 1248 1086 1199 35 -240 18 C ATOM 1022 C PHE A 144 41.937 -4.154 65.685 1.00 15.83 C ANISOU 1022 C PHE A 144 2024 1930 2059 16 -249 33 C ATOM 1023 O PHE A 144 42.939 -4.841 65.914 1.00 11.65 O ANISOU 1023 O PHE A 144 1457 1437 1532 27 -267 50 O ATOM 1024 CB PHE A 144 39.643 -5.135 65.894 1.00 11.80 C ANISOU 1024 CB PHE A 144 1574 1389 1522 62 -197 29 C ATOM 1025 CG PHE A 144 40.165 -6.464 65.422 1.00 9.40 C ANISOU 1025 CG PHE A 144 1244 1097 1229 85 -185 58 C ATOM 1026 CD1 PHE A 144 40.295 -7.523 66.304 1.00 10.78 C ANISOU 1026 CD1 PHE A 144 1432 1285 1378 110 -192 73 C ATOM 1027 CD2 PHE A 144 40.492 -6.660 64.089 1.00 12.14 C ANISOU 1027 CD2 PHE A 144 1565 1440 1609 85 -165 69 C ATOM 1028 CE1 PHE A 144 40.771 -8.755 65.869 1.00 11.36 C ANISOU 1028 CE1 PHE A 144 1495 1360 1459 139 -181 100 C ATOM 1029 CE2 PHE A 144 40.960 -7.891 63.646 1.00 9.79 C ANISOU 1029 CE2 PHE A 144 1252 1149 1317 113 -151 92 C ATOM 1030 CZ PHE A 144 41.102 -8.934 64.536 1.00 11.45 C ANISOU 1030 CZ PHE A 144 1479 1366 1505 142 -160 107 C ATOM 0 H PHE A 144 39.311 -2.855 66.606 1.00 10.63 H new ATOM 0 HA PHE A 144 40.972 -4.657 67.414 1.00 9.30 H new ATOM 0 HB2 PHE A 144 38.914 -5.286 66.515 1.00 11.80 H new ATOM 0 HB3 PHE A 144 39.275 -4.654 65.136 1.00 11.80 H new ATOM 0 HD1 PHE A 144 40.061 -7.409 67.197 1.00 10.78 H new ATOM 0 HD2 PHE A 144 40.397 -5.960 63.485 1.00 12.14 H new ATOM 0 HE1 PHE A 144 40.867 -9.457 66.472 1.00 11.36 H new ATOM 0 HE2 PHE A 144 41.177 -8.011 62.750 1.00 9.79 H new ATOM 0 HZ PHE A 144 41.420 -9.757 64.242 1.00 11.45 H new ATOM 1031 N PHE A 145 41.871 -3.295 64.669 1.00 9.98 N ANISOU 1031 N PHE A 145 1283 1167 1342 -10 -236 26 N ATOM 1032 CA PHE A 145 43.022 -3.096 63.786 1.00 11.50 C ANISOU 1032 CA PHE A 145 1428 1379 1563 -37 -238 39 C ATOM 1033 C PHE A 145 44.214 -2.482 64.527 1.00 11.90 C ANISOU 1033 C PHE A 145 1452 1463 1607 -78 -282 32 C ATOM 1034 O PHE A 145 45.351 -2.929 64.361 1.00 11.36 O ANISOU 1034 O PHE A 145 1323 1442 1551 -81 -293 48 O ATOM 1035 CB PHE A 145 42.623 -2.250 62.571 1.00 10.77 C ANISOU 1035 CB PHE A 145 1353 1250 1490 -61 -215 35 C ATOM 1036 CG PHE A 145 43.755 -1.980 61.609 1.00 12.35 C ANISOU 1036 CG PHE A 145 1508 1471 1713 -97 -210 49 C ATOM 1037 CD1 PHE A 145 44.471 -3.020 61.045 1.00 13.78 C ANISOU 1037 CD1 PHE A 145 1634 1691 1909 -74 -193 70 C ATOM 1038 CD2 PHE A 145 44.067 -0.678 61.238 1.00 16.15 C ANISOU 1038 CD2 PHE A 145 2007 1929 2199 -154 -218 40 C ATOM 1039 CE1 PHE A 145 45.495 -2.774 60.143 1.00 9.82 C ANISOU 1039 CE1 PHE A 145 1086 1217 1428 -107 -181 81 C ATOM 1040 CE2 PHE A 145 45.093 -0.428 60.338 1.00 19.53 C ANISOU 1040 CE2 PHE A 145 2394 2382 2647 -196 -208 54 C ATOM 1041 CZ PHE A 145 45.812 -1.478 59.802 1.00 14.79 C ANISOU 1041 CZ PHE A 145 1728 1830 2060 -172 -188 74 C ATOM 0 H PHE A 145 41.179 -2.823 64.474 1.00 9.98 H new ATOM 0 HA PHE A 145 43.308 -3.968 63.472 1.00 11.50 H new ATOM 0 HB2 PHE A 145 41.908 -2.701 62.096 1.00 10.77 H new ATOM 0 HB3 PHE A 145 42.267 -1.403 62.882 1.00 10.77 H new ATOM 0 HD1 PHE A 145 44.263 -3.897 61.274 1.00 13.78 H new ATOM 0 HD2 PHE A 145 43.584 0.032 61.596 1.00 16.15 H new ATOM 0 HE1 PHE A 145 45.967 -3.483 59.769 1.00 9.82 H new ATOM 0 HE2 PHE A 145 45.296 0.447 60.096 1.00 19.53 H new ATOM 0 HZ PHE A 145 46.510 -1.310 59.211 1.00 14.79 H new ATOM 1042 N ASP A 146 43.956 -1.473 65.360 1.00 10.15 N ANISOU 1042 N ASP A 146 1274 1219 1362 -108 -308 6 N ATOM 1043 CA AASP A 146 45.034 -0.844 66.118 0.61 12.05 C ANISOU 1043 CA AASP A 146 1496 1491 1591 -157 -354 -4 C ATOM 1044 CA BASP A 146 45.002 -0.827 66.151 0.39 18.34 C ANISOU 1044 CA BASP A 146 2295 2286 2387 -156 -354 -5 C ATOM 1045 C ASP A 146 45.712 -1.834 67.061 1.00 16.63 C ANISOU 1045 C ASP A 146 2035 2128 2154 -128 -384 9 C ATOM 1046 O ASP A 146 46.940 -1.816 67.210 1.00 17.22 O ANISOU 1046 O ASP A 146 2051 2258 2234 -155 -416 16 O ATOM 1047 CB AASP A 146 44.525 0.383 66.883 0.61 10.73 C ANISOU 1047 CB AASP A 146 1400 1279 1396 -190 -374 -38 C ATOM 1048 CB BASP A 146 44.385 0.294 66.992 0.39 16.32 C ANISOU 1048 CB BASP A 146 2113 1986 2101 -182 -373 -39 C ATOM 1049 CG AASP A 146 44.770 1.677 66.133 0.61 20.43 C ANISOU 1049 CG AASP A 146 2653 2470 2640 -251 -373 -50 C ATOM 1050 CG BASP A 146 45.387 1.362 67.376 0.39 13.28 C ANISOU 1050 CG BASP A 146 1728 1610 1708 -258 -415 -57 C ATOM 1051 OD1AASP A 146 45.275 1.623 64.990 0.61 22.43 O ANISOU 1051 OD1AASP A 146 2865 2733 2924 -270 -353 -30 O ATOM 1052 OD1BASP A 146 46.605 1.108 67.278 0.39 19.46 O ANISOU 1052 OD1BASP A 146 2440 2451 2502 -288 -438 -42 O ATOM 1053 OD2AASP A 146 44.451 2.750 66.685 0.61 20.28 O ANISOU 1053 OD2AASP A 146 2701 2406 2598 -280 -390 -79 O ATOM 1054 OD2BASP A 146 44.947 2.460 67.784 0.39 13.08 O ANISOU 1054 OD2BASP A 146 1774 1534 1661 -287 -426 -87 O ATOM 0 H AASP A 146 43.174 -1.143 65.498 0.61 10.15 H new ATOM 0 H BASP A 146 43.170 -1.145 65.482 0.39 10.15 H new ATOM 0 HA AASP A 146 45.702 -0.546 65.480 0.61 18.34 H new ATOM 0 HA BASP A 146 45.662 -0.457 65.544 0.39 18.34 H new ATOM 0 HB2AASP A 146 43.575 0.285 67.051 0.61 16.32 H new ATOM 0 HB2BASP A 146 43.658 0.702 66.496 0.39 16.32 H new ATOM 0 HB3AASP A 146 44.963 0.426 67.748 0.61 16.32 H new ATOM 0 HB3BASP A 146 44.000 -0.086 67.797 0.39 16.32 H new ATOM 1055 N ASN A 147 44.925 -2.709 67.684 1.00 12.01 N ANISOU 1055 N ASN A 147 1480 1535 1547 -74 -375 14 N ATOM 1056 CA ASN A 147 45.478 -3.725 68.578 1.00 9.99 C ANISOU 1056 CA ASN A 147 1200 1325 1269 -38 -403 32 C ATOM 1057 C ASN A 147 46.286 -4.784 67.828 1.00 14.28 C ANISOU 1057 C ASN A 147 1678 1907 1841 -1 -392 64 C ATOM 1058 O ASN A 147 47.307 -5.259 68.326 1.00 16.08 O ANISOU 1058 O ASN A 147 1858 2190 2061 15 -428 78 O ATOM 1059 CB ASN A 147 44.366 -4.401 69.377 1.00 12.27 C ANISOU 1059 CB ASN A 147 1548 1590 1523 4 -389 32 C ATOM 1060 CG ASN A 147 43.886 -3.557 70.542 1.00 16.46 C ANISOU 1060 CG ASN A 147 2136 2107 2012 -21 -412 2 C ATOM 1061 OD1 ASN A 147 44.669 -2.834 71.164 1.00 14.70 O ANISOU 1061 OD1 ASN A 147 1906 1907 1774 -60 -457 -14 O ATOM 1062 ND2 ASN A 147 42.596 -3.652 70.853 1.00 13.46 N ANISOU 1062 ND2 ASN A 147 1811 1692 1610 0 -380 -9 N ATOM 0 H ASN A 147 44.069 -2.731 67.603 1.00 12.01 H new ATOM 0 HA ASN A 147 46.081 -3.265 69.182 1.00 9.99 H new ATOM 0 HB2 ASN A 147 43.618 -4.588 68.788 1.00 12.27 H new ATOM 0 HB3 ASN A 147 44.685 -5.254 69.710 1.00 12.27 H new ATOM 0 HD21 ASN A 147 42.278 -3.199 71.511 1.00 13.46 H new ATOM 0 HD22 ASN A 147 42.080 -4.167 70.396 1.00 13.46 H new ATOM 1063 N ALA A 148 45.834 -5.130 66.625 1.00 10.05 N ANISOU 1063 N ALA A 148 1141 1344 1335 16 -343 73 N ATOM 1064 CA ALA A 148 46.459 -6.194 65.844 1.00 12.46 C ANISOU 1064 CA ALA A 148 1397 1675 1663 59 -323 99 C ATOM 1065 C ALA A 148 47.697 -5.723 65.090 1.00 13.76 C ANISOU 1065 C ALA A 148 1484 1887 1856 28 -329 103 C ATOM 1066 O ALA A 148 48.549 -6.532 64.715 1.00 12.95 O ANISOU 1066 O ALA A 148 1324 1828 1768 68 -324 122 O ATOM 1067 CB ALA A 148 45.445 -6.794 64.858 1.00 14.01 C ANISOU 1067 CB ALA A 148 1627 1823 1872 86 -269 105 C ATOM 0 H ALA A 148 45.161 -4.757 66.241 1.00 10.05 H new ATOM 0 HA ALA A 148 46.748 -6.872 66.475 1.00 12.46 H new ATOM 0 HB1 ALA A 148 45.870 -7.499 64.345 1.00 14.01 H new ATOM 0 HB2 ALA A 148 44.693 -7.161 65.350 1.00 14.01 H new ATOM 0 HB3 ALA A 148 45.130 -6.102 64.256 1.00 14.01 H new ATOM 1068 N LYS A 149 47.786 -4.411 64.888 1.00 14.30 N ANISOU 1068 N LYS A 149 1555 1947 1932 -42 -337 83 N ATOM 1069 CA LYS A 149 48.689 -3.811 63.904 1.00 18.80 C ANISOU 1069 CA LYS A 149 2067 2548 2530 -90 -325 86 C ATOM 1070 C LYS A 149 50.153 -4.242 64.009 1.00 29.99 C ANISOU 1070 C LYS A 149 3386 4052 3955 -82 -349 100 C ATOM 1071 O LYS A 149 50.789 -4.566 63.002 1.00 22.15 O ANISOU 1071 O LYS A 149 2336 3093 2987 -73 -318 113 O ATOM 1072 CB LYS A 149 48.590 -2.283 63.977 1.00 24.56 C ANISOU 1072 CB LYS A 149 2830 3248 3254 -174 -341 62 C ATOM 1073 CG LYS A 149 49.305 -1.555 62.860 1.00 41.07 C ANISOU 1073 CG LYS A 149 4882 5353 5370 -236 -321 66 C ATOM 1074 CD LYS A 149 49.071 -0.057 62.954 1.00 30.03 C ANISOU 1074 CD LYS A 149 3542 3907 3962 -318 -335 44 C ATOM 1075 CE LYS A 149 47.601 0.287 62.789 1.00 45.55 C ANISOU 1075 CE LYS A 149 5604 5786 5919 -293 -313 33 C ATOM 0 H LYS A 149 47.318 -3.835 65.323 1.00 14.30 H new ATOM 0 HA LYS A 149 48.388 -4.144 63.044 1.00 18.80 H new ATOM 0 HB2 LYS A 149 47.654 -2.030 63.966 1.00 24.56 H new ATOM 0 HB3 LYS A 149 48.954 -1.987 64.826 1.00 24.56 H new ATOM 0 HG2 LYS A 149 50.256 -1.741 62.904 1.00 41.07 H new ATOM 0 HG3 LYS A 149 48.991 -1.882 62.002 1.00 41.07 H new ATOM 0 HD2 LYS A 149 49.386 0.268 63.812 1.00 30.03 H new ATOM 0 HD3 LYS A 149 49.589 0.396 62.271 1.00 30.03 H new ATOM 1076 N ALA A 150 50.679 -4.244 65.228 1.00 20.30 N ANISOU 1076 N ALA A 150 2140 2867 2705 -84 -404 97 N ATOM 1077 CA ALA A 150 52.088 -4.534 65.449 1.00 24.80 C ANISOU 1077 CA ALA A 150 2609 3533 3280 -79 -437 108 C ATOM 1078 C ALA A 150 52.424 -5.977 65.093 1.00 32.42 C ANISOU 1078 C ALA A 150 3532 4528 4256 21 -415 135 C ATOM 1079 O ALA A 150 53.552 -6.280 64.695 1.00 31.54 O ANISOU 1079 O ALA A 150 3327 4496 4163 38 -416 147 O ATOM 1080 CB ALA A 150 52.459 -4.237 66.892 1.00 25.88 C ANISOU 1080 CB ALA A 150 2744 3706 3382 -99 -507 98 C ATOM 0 H ALA A 150 50.233 -4.079 65.944 1.00 20.30 H new ATOM 0 HA ALA A 150 52.609 -3.962 64.864 1.00 24.80 H new ATOM 0 HB1 ALA A 150 53.399 -4.433 67.032 1.00 25.88 H new ATOM 0 HB2 ALA A 150 52.292 -3.301 67.083 1.00 25.88 H new ATOM 0 HB3 ALA A 150 51.923 -4.788 67.484 1.00 25.88 H new ATOM 1081 N SER A 151 51.436 -6.859 65.223 1.00 17.32 N ANISOU 1081 N SER A 151 1694 2554 2332 86 -394 143 N ATOM 1082 CA SER A 151 51.626 -8.284 64.964 1.00 15.20 C ANISOU 1082 CA SER A 151 1414 2295 2068 183 -373 168 C ATOM 1083 C SER A 151 51.449 -8.651 63.486 1.00 16.95 C ANISOU 1083 C SER A 151 1631 2491 2319 201 -307 172 C ATOM 1084 O SER A 151 51.894 -9.712 63.044 1.00 19.18 O ANISOU 1084 O SER A 151 1887 2791 2609 277 -285 188 O ATOM 1085 CB SER A 151 50.677 -9.112 65.825 1.00 30.55 C ANISOU 1085 CB SER A 151 3446 4183 3980 235 -381 176 C ATOM 1086 OG SER A 151 50.879 -8.838 67.198 1.00 38.36 O ANISOU 1086 OG SER A 151 4441 5198 4935 223 -442 174 O ATOM 0 H SER A 151 50.638 -6.649 65.464 1.00 17.32 H new ATOM 0 HA SER A 151 52.544 -8.489 65.199 1.00 15.20 H new ATOM 0 HB2 SER A 151 49.759 -8.915 65.583 1.00 30.55 H new ATOM 0 HB3 SER A 151 50.819 -10.056 65.655 1.00 30.55 H new ATOM 0 HG SER A 151 50.531 -8.098 67.390 1.00 38.36 H new ATOM 1087 N LEU A 152 50.809 -7.772 62.729 1.00 15.54 N ANISOU 1087 N LEU A 152 1484 2269 2152 136 -276 156 N ATOM 1088 CA LEU A 152 50.560 -8.026 61.316 1.00 12.15 C ANISOU 1088 CA LEU A 152 1060 1813 1744 145 -215 159 C ATOM 1089 C LEU A 152 51.840 -8.037 60.486 1.00 11.44 C ANISOU 1089 C LEU A 152 872 1797 1675 146 -196 165 C ATOM 1090 O LEU A 152 52.797 -7.324 60.795 1.00 15.82 O ANISOU 1090 O LEU A 152 1355 2421 2236 99 -226 162 O ATOM 1091 CB LEU A 152 49.609 -6.975 60.753 1.00 15.23 C ANISOU 1091 CB LEU A 152 1506 2144 2136 75 -195 143 C ATOM 1092 CG LEU A 152 48.220 -6.962 61.378 1.00 15.95 C ANISOU 1092 CG LEU A 152 1688 2165 2207 78 -202 134 C ATOM 1093 CD1 LEU A 152 47.394 -5.831 60.777 1.00 12.50 C ANISOU 1093 CD1 LEU A 152 1296 1680 1774 18 -185 119 C ATOM 1094 CD2 LEU A 152 47.552 -8.312 61.141 1.00 13.80 C ANISOU 1094 CD2 LEU A 152 1457 1858 1928 147 -172 146 C ATOM 0 H LEU A 152 50.509 -7.018 63.015 1.00 15.54 H new ATOM 0 HA LEU A 152 50.162 -8.909 61.258 1.00 12.15 H new ATOM 0 HB2 LEU A 152 50.010 -6.100 60.871 1.00 15.23 H new ATOM 0 HB3 LEU A 152 49.518 -7.119 59.798 1.00 15.23 H new ATOM 0 HG LEU A 152 48.288 -6.811 62.334 1.00 15.95 H new ATOM 0 HD11 LEU A 152 46.511 -5.827 61.178 1.00 12.50 H new ATOM 0 HD12 LEU A 152 47.832 -4.983 60.951 1.00 12.50 H new ATOM 0 HD13 LEU A 152 47.313 -5.963 59.819 1.00 12.50 H new ATOM 0 HD21 LEU A 152 46.667 -8.309 61.537 1.00 13.80 H new ATOM 0 HD22 LEU A 152 47.479 -8.474 60.187 1.00 13.80 H new ATOM 0 HD23 LEU A 152 48.085 -9.013 61.547 1.00 13.80 H new ATOM 1095 N ASP A 153 51.849 -8.843 59.428 1.00 11.36 N ANISOU 1095 N ASP A 153 862 1779 1677 196 -144 173 N ATOM 1096 CA ASP A 153 52.987 -8.874 58.516 1.00 18.72 C ANISOU 1096 CA ASP A 153 1704 2781 2626 201 -113 177 C ATOM 1097 C ASP A 153 53.220 -7.485 57.926 1.00 14.04 C ANISOU 1097 C ASP A 153 1085 2207 2045 94 -103 167 C ATOM 1098 O ASP A 153 54.359 -7.021 57.797 1.00 14.62 O ANISOU 1098 O ASP A 153 1064 2363 2128 57 -108 169 O ATOM 1099 CB ASP A 153 52.756 -9.901 57.406 1.00 12.18 C ANISOU 1099 CB ASP A 153 903 1924 1802 268 -53 181 C ATOM 1100 CG ASP A 153 52.783 -11.339 57.919 1.00 22.30 C ANISOU 1100 CG ASP A 153 2208 3193 3073 377 -60 192 C ATOM 1101 OD1 ASP A 153 53.034 -11.558 59.124 1.00 14.42 O ANISOU 1101 OD1 ASP A 153 1198 2216 2064 406 -112 200 O ATOM 1102 OD2 ASP A 153 52.555 -12.251 57.106 1.00 17.22 O ANISOU 1102 OD2 ASP A 153 1601 2515 2428 434 -14 193 O ATOM 0 H ASP A 153 51.208 -9.378 59.221 1.00 11.36 H new ATOM 0 HA ASP A 153 53.778 -9.138 59.011 1.00 18.72 H new ATOM 0 HB2 ASP A 153 51.900 -9.728 56.984 1.00 12.18 H new ATOM 0 HB3 ASP A 153 53.436 -9.792 56.723 1.00 12.18 H new ATOM 1103 N SER A 154 52.123 -6.821 57.591 1.00 11.37 N ANISOU 1103 N SER A 154 830 1789 1701 43 -91 159 N ATOM 1104 CA SER A 154 52.155 -5.453 57.082 1.00 14.87 C ANISOU 1104 CA SER A 154 1277 2225 2148 -58 -85 152 C ATOM 1105 C SER A 154 50.981 -4.703 57.718 1.00 16.08 C ANISOU 1105 C SER A 154 1522 2299 2287 -94 -115 140 C ATOM 1106 O SER A 154 49.889 -5.261 57.865 1.00 10.36 O ANISOU 1106 O SER A 154 867 1516 1555 -47 -110 138 O ATOM 1107 CB SER A 154 52.053 -5.460 55.551 1.00 17.32 C ANISOU 1107 CB SER A 154 1597 2520 2464 -67 -22 157 C ATOM 1108 OG SER A 154 52.137 -4.150 55.004 1.00 23.42 O ANISOU 1108 OG SER A 154 2380 3283 3237 -165 -14 155 O ATOM 0 H SER A 154 51.332 -7.152 57.652 1.00 11.37 H new ATOM 0 HA SER A 154 52.989 -5.012 57.310 1.00 14.87 H new ATOM 0 HB2 SER A 154 52.763 -6.009 55.183 1.00 17.32 H new ATOM 0 HB3 SER A 154 51.213 -5.867 55.286 1.00 17.32 H new ATOM 0 HG SER A 154 52.934 -3.887 55.028 1.00 23.42 H new ATOM 1109 N PRO A 155 51.194 -3.436 58.112 1.00 13.59 N ANISOU 1109 N PRO A 155 1210 1984 1969 -179 -144 130 N ATOM 1110 CA PRO A 155 50.175 -2.745 58.907 1.00 11.49 C ANISOU 1110 CA PRO A 155 1028 1650 1687 -201 -176 115 C ATOM 1111 C PRO A 155 49.006 -2.261 58.050 1.00 15.45 C ANISOU 1111 C PRO A 155 1613 2071 2186 -213 -145 112 C ATOM 1112 O PRO A 155 48.763 -1.057 57.986 1.00 10.42 O ANISOU 1112 O PRO A 155 1021 1394 1543 -277 -155 104 O ATOM 1113 CB PRO A 155 50.939 -1.552 59.475 1.00 12.41 C ANISOU 1113 CB PRO A 155 1122 1794 1799 -291 -215 104 C ATOM 1114 CG PRO A 155 51.971 -1.253 58.426 1.00 16.81 C ANISOU 1114 CG PRO A 155 1611 2405 2372 -343 -183 115 C ATOM 1115 CD PRO A 155 52.373 -2.587 57.856 1.00 15.49 C ANISOU 1115 CD PRO A 155 1381 2288 2218 -260 -148 131 C ATOM 0 HA PRO A 155 49.779 -3.321 59.579 1.00 11.49 H new ATOM 0 HB2 PRO A 155 50.354 -0.793 59.625 1.00 12.41 H new ATOM 0 HB3 PRO A 155 51.350 -1.766 60.327 1.00 12.41 H new ATOM 0 HG2 PRO A 155 51.609 -0.675 57.737 1.00 16.81 H new ATOM 0 HG3 PRO A 155 52.735 -0.794 58.810 1.00 16.81 H new ATOM 0 HD2 PRO A 155 52.571 -2.526 56.908 1.00 15.49 H new ATOM 0 HD3 PRO A 155 53.167 -2.937 58.290 1.00 15.49 H new ATOM 1116 N VAL A 156 48.302 -3.189 57.402 1.00 12.93 N ANISOU 1116 N VAL A 156 1317 1727 1869 -151 -110 120 N ATOM 1117 CA VAL A 156 47.244 -2.844 56.461 1.00 9.14 C ANISOU 1117 CA VAL A 156 904 1184 1385 -156 -82 120 C ATOM 1118 C VAL A 156 46.030 -3.758 56.613 1.00 8.54 C ANISOU 1118 C VAL A 156 874 1069 1300 -92 -74 117 C ATOM 1119 O VAL A 156 46.135 -4.878 57.122 1.00 8.96 O ANISOU 1119 O VAL A 156 909 1144 1352 -39 -76 121 O ATOM 1120 CB VAL A 156 47.730 -2.966 54.982 1.00 9.52 C ANISOU 1120 CB VAL A 156 927 1249 1440 -169 -34 134 C ATOM 1121 CG1 VAL A 156 48.975 -2.129 54.737 1.00 11.18 C ANISOU 1121 CG1 VAL A 156 1084 1507 1658 -242 -33 139 C ATOM 1122 CG2 VAL A 156 47.977 -4.437 54.601 1.00 9.94 C ANISOU 1122 CG2 VAL A 156 945 1333 1498 -97 -4 141 C ATOM 0 H VAL A 156 48.426 -4.035 57.497 1.00 12.93 H new ATOM 0 HA VAL A 156 47.001 -1.927 56.664 1.00 9.14 H new ATOM 0 HB VAL A 156 47.024 -2.621 54.413 1.00 9.52 H new ATOM 0 HG11 VAL A 156 49.253 -2.225 53.813 1.00 11.18 H new ATOM 0 HG12 VAL A 156 48.780 -1.197 54.921 1.00 11.18 H new ATOM 0 HG13 VAL A 156 49.688 -2.431 55.321 1.00 11.18 H new ATOM 0 HG21 VAL A 156 48.277 -4.487 53.680 1.00 9.94 H new ATOM 0 HG22 VAL A 156 48.656 -4.813 55.183 1.00 9.94 H new ATOM 0 HG23 VAL A 156 47.153 -4.940 54.700 1.00 9.94 H new ATOM 1123 N PHE A 157 44.865 -3.274 56.181 1.00 9.19 N ANISOU 1123 N PHE A 157 1020 1096 1374 -97 -66 112 N ATOM 1124 CA PHE A 157 43.753 -4.174 55.904 1.00 8.75 C ANISOU 1124 CA PHE A 157 999 1015 1311 -48 -48 112 C ATOM 1125 C PHE A 157 43.146 -3.783 54.558 1.00 11.42 C ANISOU 1125 C PHE A 157 1371 1323 1647 -61 -22 116 C ATOM 1126 O PHE A 157 43.336 -2.663 54.096 1.00 11.71 O ANISOU 1126 O PHE A 157 1423 1344 1684 -105 -24 119 O ATOM 1127 CB PHE A 157 42.699 -4.219 57.036 1.00 10.84 C ANISOU 1127 CB PHE A 157 1301 1255 1562 -26 -72 98 C ATOM 1128 CG PHE A 157 41.919 -2.940 57.228 1.00 7.34 C ANISOU 1128 CG PHE A 157 904 773 1111 -51 -89 85 C ATOM 1129 CD1 PHE A 157 40.720 -2.733 56.554 1.00 7.06 C ANISOU 1129 CD1 PHE A 157 909 705 1069 -38 -77 82 C ATOM 1130 CD2 PHE A 157 42.351 -1.971 58.125 1.00 10.20 C ANISOU 1130 CD2 PHE A 157 1272 1133 1470 -83 -121 73 C ATOM 1131 CE1 PHE A 157 39.990 -1.568 56.739 1.00 10.49 C ANISOU 1131 CE1 PHE A 157 1387 1103 1496 -46 -93 69 C ATOM 1132 CE2 PHE A 157 41.621 -0.805 58.314 1.00 10.81 C ANISOU 1132 CE2 PHE A 157 1403 1167 1537 -97 -135 58 C ATOM 1133 CZ PHE A 157 40.443 -0.602 57.618 1.00 9.58 C ANISOU 1133 CZ PHE A 157 1287 978 1377 -74 -120 57 C ATOM 0 H PHE A 157 44.702 -2.441 56.044 1.00 9.19 H new ATOM 0 HA PHE A 157 44.092 -5.082 55.861 1.00 8.75 H new ATOM 0 HB2 PHE A 157 42.075 -4.939 56.851 1.00 10.84 H new ATOM 0 HB3 PHE A 157 43.146 -4.438 57.868 1.00 10.84 H new ATOM 0 HD1 PHE A 157 40.403 -3.385 55.971 1.00 7.06 H new ATOM 0 HD2 PHE A 157 43.137 -2.105 58.604 1.00 10.20 H new ATOM 0 HE1 PHE A 157 39.196 -1.437 56.272 1.00 10.49 H new ATOM 0 HE2 PHE A 157 41.925 -0.159 58.910 1.00 10.81 H new ATOM 0 HZ PHE A 157 39.957 0.182 57.741 1.00 9.58 H new ATOM 1134 N THR A 158 42.462 -4.718 53.911 1.00 7.22 N ANISOU 1134 N THR A 158 855 781 1108 -27 2 119 N ATOM 1135 CA THR A 158 41.883 -4.431 52.607 1.00 10.32 C ANISOU 1135 CA THR A 158 1279 1150 1491 -38 23 124 C ATOM 1136 C THR A 158 40.415 -4.793 52.594 1.00 9.22 C ANISOU 1136 C THR A 158 1179 985 1339 -12 19 115 C ATOM 1137 O THR A 158 39.999 -5.757 53.246 1.00 7.85 O ANISOU 1137 O THR A 158 1004 816 1162 16 17 109 O ATOM 1138 CB THR A 158 42.600 -5.190 51.463 1.00 8.99 C ANISOU 1138 CB THR A 158 1089 1003 1322 -32 62 134 C ATOM 1139 OG1 THR A 158 42.426 -6.604 51.635 1.00 7.31 O ANISOU 1139 OG1 THR A 158 873 797 1106 13 75 130 O ATOM 1140 CG2 THR A 158 44.089 -4.866 51.478 1.00 7.78 C ANISOU 1140 CG2 THR A 158 882 891 1182 -58 70 141 C ATOM 0 H THR A 158 42.323 -5.514 54.205 1.00 7.22 H new ATOM 0 HA THR A 158 41.996 -3.480 52.454 1.00 10.32 H new ATOM 0 HB THR A 158 42.217 -4.914 50.616 1.00 8.99 H new ATOM 0 HG1 THR A 158 41.669 -6.830 51.350 1.00 7.31 H new ATOM 0 HG21 THR A 158 44.532 -5.344 50.760 1.00 7.78 H new ATOM 0 HG22 THR A 158 44.214 -3.912 51.356 1.00 7.78 H new ATOM 0 HG23 THR A 158 44.470 -5.135 52.328 1.00 7.78 H new ATOM 1141 N ALA A 159 39.645 -4.010 51.845 1.00 6.71 N ANISOU 1141 N ALA A 159 897 643 1011 -24 16 117 N ATOM 1142 CA ALA A 159 38.213 -4.242 51.688 1.00 7.08 C ANISOU 1142 CA ALA A 159 971 677 1044 -2 10 109 C ATOM 1143 C ALA A 159 37.930 -4.577 50.233 1.00 6.49 C ANISOU 1143 C ALA A 159 912 599 954 -5 30 117 C ATOM 1144 O ALA A 159 38.247 -3.797 49.336 1.00 8.76 O ANISOU 1144 O ALA A 159 1217 875 1236 -26 35 129 O ATOM 1145 CB ALA A 159 37.422 -3.008 52.109 1.00 6.87 C ANISOU 1145 CB ALA A 159 971 626 1014 0 -18 102 C ATOM 0 H ALA A 159 39.939 -3.327 51.412 1.00 6.71 H new ATOM 0 HA ALA A 159 37.940 -4.980 52.255 1.00 7.08 H new ATOM 0 HB1 ALA A 159 36.473 -3.178 51.999 1.00 6.87 H new ATOM 0 HB2 ALA A 159 37.608 -2.806 53.039 1.00 6.87 H new ATOM 0 HB3 ALA A 159 37.681 -2.254 51.557 1.00 6.87 H new ATOM 1146 N ASP A 160 37.323 -5.734 50.009 1.00 6.64 N ANISOU 1146 N ASP A 160 934 627 963 10 42 111 N ATOM 1147 CA ASP A 160 37.011 -6.201 48.662 1.00 8.24 C ANISOU 1147 CA ASP A 160 1157 829 1145 5 60 115 C ATOM 1148 C ASP A 160 35.552 -6.612 48.664 1.00 8.53 C ANISOU 1148 C ASP A 160 1207 870 1166 14 45 104 C ATOM 1149 O ASP A 160 35.234 -7.799 48.744 1.00 8.32 O ANISOU 1149 O ASP A 160 1182 849 1132 15 57 95 O ATOM 1150 CB ASP A 160 37.915 -7.394 48.320 1.00 11.96 C ANISOU 1150 CB ASP A 160 1619 1308 1616 11 94 115 C ATOM 1151 CG ASP A 160 37.720 -7.919 46.899 1.00 15.79 C ANISOU 1151 CG ASP A 160 2133 1791 2075 4 116 115 C ATOM 1152 OD1 ASP A 160 36.986 -7.314 46.085 1.00 11.79 O ANISOU 1152 OD1 ASP A 160 1650 1280 1550 -9 104 119 O ATOM 1153 OD2 ASP A 160 38.344 -8.952 46.590 1.00 12.22 O ANISOU 1153 OD2 ASP A 160 1682 1341 1618 16 146 111 O ATOM 0 H ASP A 160 37.079 -6.273 50.633 1.00 6.64 H new ATOM 0 HA ASP A 160 37.163 -5.511 47.997 1.00 8.24 H new ATOM 0 HB2 ASP A 160 38.842 -7.132 48.436 1.00 11.96 H new ATOM 0 HB3 ASP A 160 37.742 -8.112 48.949 1.00 11.96 H new ATOM 1154 N LEU A 161 34.670 -5.620 48.584 1.00 7.02 N ANISOU 1154 N LEU A 161 1023 675 968 18 19 104 N ATOM 1155 CA LEU A 161 33.234 -5.865 48.681 1.00 6.28 C ANISOU 1155 CA LEU A 161 927 599 861 28 2 93 C ATOM 1156 C LEU A 161 32.684 -6.314 47.340 1.00 8.00 C ANISOU 1156 C LEU A 161 1163 827 1052 16 4 95 C ATOM 1157 O LEU A 161 33.080 -5.796 46.294 1.00 10.32 O ANISOU 1157 O LEU A 161 1479 1109 1334 10 7 108 O ATOM 1158 CB LEU A 161 32.501 -4.603 49.128 1.00 8.61 C ANISOU 1158 CB LEU A 161 1221 892 1158 51 -27 91 C ATOM 1159 CG LEU A 161 32.978 -4.003 50.453 1.00 8.28 C ANISOU 1159 CG LEU A 161 1172 838 1137 61 -33 85 C ATOM 1160 CD1 LEU A 161 32.177 -2.755 50.773 1.00 9.58 C ANISOU 1160 CD1 LEU A 161 1347 994 1298 91 -59 80 C ATOM 1161 CD2 LEU A 161 32.878 -5.028 51.584 1.00 9.57 C ANISOU 1161 CD2 LEU A 161 1311 1020 1305 60 -23 73 C ATOM 0 H LEU A 161 34.884 -4.794 48.473 1.00 7.02 H new ATOM 0 HA LEU A 161 33.093 -6.564 49.339 1.00 6.28 H new ATOM 0 HB2 LEU A 161 32.592 -3.931 48.434 1.00 8.61 H new ATOM 0 HB3 LEU A 161 31.555 -4.806 49.204 1.00 8.61 H new ATOM 0 HG LEU A 161 33.912 -3.756 50.366 1.00 8.28 H new ATOM 0 HD11 LEU A 161 32.484 -2.380 51.613 1.00 9.58 H new ATOM 0 HD12 LEU A 161 32.297 -2.103 50.065 1.00 9.58 H new ATOM 0 HD13 LEU A 161 31.237 -2.983 50.846 1.00 9.58 H new ATOM 0 HD21 LEU A 161 33.185 -4.627 52.412 1.00 9.57 H new ATOM 0 HD22 LEU A 161 31.956 -5.311 51.684 1.00 9.57 H new ATOM 0 HD23 LEU A 161 33.430 -5.797 51.374 1.00 9.57 H new ATOM 1162 N GLY A 162 31.762 -7.271 47.381 1.00 7.79 N ANISOU 1162 N GLY A 162 1128 822 1010 7 4 81 N ATOM 1163 CA GLY A 162 31.151 -7.801 46.174 1.00 11.66 C ANISOU 1163 CA GLY A 162 1635 1325 1470 -11 1 79 C ATOM 1164 C GLY A 162 29.858 -7.094 45.805 1.00 13.35 C ANISOU 1164 C GLY A 162 1835 1569 1667 0 -35 78 C ATOM 1165 O GLY A 162 29.140 -6.604 46.668 1.00 11.57 O ANISOU 1165 O GLY A 162 1580 1363 1452 21 -53 72 O ATOM 0 H GLY A 162 31.476 -7.629 48.109 1.00 7.79 H new ATOM 0 HA2 GLY A 162 31.778 -7.722 45.438 1.00 11.66 H new ATOM 0 HA3 GLY A 162 30.974 -8.747 46.296 1.00 11.66 H new ATOM 1166 N TYR A 163 29.568 -7.025 44.511 1.00 12.23 N ANISOU 1166 N TYR A 163 1716 1435 1496 -9 -46 84 N ATOM 1167 CA TYR A 163 28.261 -6.565 44.052 1.00 9.08 C ANISOU 1167 CA TYR A 163 1300 1075 1074 4 -85 83 C ATOM 1168 C TYR A 163 27.322 -7.761 44.005 1.00 9.65 C ANISOU 1168 C TYR A 163 1351 1188 1127 -33 -88 63 C ATOM 1169 O TYR A 163 27.534 -8.691 43.223 1.00 11.70 O ANISOU 1169 O TYR A 163 1641 1442 1364 -70 -74 56 O ATOM 1170 CB TYR A 163 28.377 -5.911 42.678 1.00 7.93 C ANISOU 1170 CB TYR A 163 1193 921 900 9 -102 101 C ATOM 1171 CG TYR A 163 27.050 -5.681 41.996 1.00 10.85 C ANISOU 1171 CG TYR A 163 1547 1338 1238 20 -146 100 C ATOM 1172 CD1 TYR A 163 26.148 -4.738 42.479 1.00 13.03 C ANISOU 1172 CD1 TYR A 163 1790 1640 1522 68 -181 103 C ATOM 1173 CD2 TYR A 163 26.700 -6.407 40.868 1.00 12.88 C ANISOU 1173 CD2 TYR A 163 1822 1617 1455 -14 -154 96 C ATOM 1174 CE1 TYR A 163 24.933 -4.524 41.849 1.00 15.61 C ANISOU 1174 CE1 TYR A 163 2092 2020 1818 87 -225 103 C ATOM 1175 CE2 TYR A 163 25.490 -6.205 40.239 1.00 14.01 C ANISOU 1175 CE2 TYR A 163 1945 1813 1566 -5 -200 95 C ATOM 1176 CZ TYR A 163 24.611 -5.262 40.734 1.00 11.69 C ANISOU 1176 CZ TYR A 163 1608 1551 1282 47 -237 100 C ATOM 1177 OH TYR A 163 23.407 -5.072 40.095 1.00 17.57 O ANISOU 1177 OH TYR A 163 2323 2357 1993 63 -286 100 O ATOM 0 H TYR A 163 30.113 -7.240 43.882 1.00 12.23 H new ATOM 0 HA TYR A 163 27.910 -5.898 44.663 1.00 9.08 H new ATOM 0 HB2 TYR A 163 28.834 -5.061 42.772 1.00 7.93 H new ATOM 0 HB3 TYR A 163 28.930 -6.469 42.110 1.00 7.93 H new ATOM 0 HD1 TYR A 163 26.364 -4.244 43.237 1.00 13.03 H new ATOM 0 HD2 TYR A 163 27.291 -7.041 40.530 1.00 12.88 H new ATOM 0 HE1 TYR A 163 24.340 -3.887 42.177 1.00 15.61 H new ATOM 0 HE2 TYR A 163 25.267 -6.701 39.485 1.00 14.01 H new ATOM 0 HH TYR A 163 23.354 -5.590 39.436 1.00 17.57 H new ATOM 1178 N HIS A 164 26.307 -7.742 44.866 1.00 9.90 N ANISOU 1178 N HIS A 164 1334 1263 1167 -25 -103 51 N ATOM 1179 CA HIS A 164 25.353 -8.847 44.988 1.00 10.69 C ANISOU 1179 CA HIS A 164 1407 1407 1248 -71 -104 31 C ATOM 1180 C HIS A 164 26.058 -10.193 45.166 1.00 15.87 C ANISOU 1180 C HIS A 164 2100 2025 1903 -118 -66 23 C ATOM 1181 O HIS A 164 25.606 -11.217 44.662 1.00 14.71 O ANISOU 1181 O HIS A 164 1968 1892 1729 -168 -64 9 O ATOM 1182 CB HIS A 164 24.408 -8.894 43.777 1.00 15.00 C ANISOU 1182 CB HIS A 164 1945 2000 1756 -88 -140 28 C ATOM 1183 CG HIS A 164 23.518 -7.696 43.661 1.00 8.70 C ANISOU 1183 CG HIS A 164 1104 1248 954 -35 -182 36 C ATOM 1184 ND1 HIS A 164 22.718 -7.467 42.560 1.00 17.59 N ANISOU 1184 ND1 HIS A 164 2221 2420 2045 -33 -224 40 N ATOM 1185 CD2 HIS A 164 23.302 -6.660 44.505 1.00 19.48 C ANISOU 1185 CD2 HIS A 164 2438 2619 2343 24 -191 41 C ATOM 1186 CE1 HIS A 164 22.046 -6.343 42.735 1.00 18.75 C ANISOU 1186 CE1 HIS A 164 2330 2599 2196 31 -257 48 C ATOM 1187 NE2 HIS A 164 22.389 -5.828 43.902 1.00 19.76 N ANISOU 1187 NE2 HIS A 164 2448 2701 2361 67 -236 48 N ATOM 0 H HIS A 164 26.150 -7.086 45.399 1.00 9.90 H new ATOM 0 HA HIS A 164 24.827 -8.682 45.786 1.00 10.69 H new ATOM 0 HB2 HIS A 164 24.936 -8.974 42.967 1.00 15.00 H new ATOM 0 HB3 HIS A 164 23.858 -9.691 43.837 1.00 15.00 H new ATOM 0 HD1 HIS A 164 22.665 -7.976 41.869 1.00 17.59 H new ATOM 0 HD2 HIS A 164 23.697 -6.535 45.337 1.00 19.48 H new ATOM 0 HE1 HIS A 164 21.435 -5.976 42.138 1.00 18.75 H new ATOM 1188 N ALA A 165 27.168 -10.182 45.890 1.00 8.59 N ANISOU 1188 N ALA A 165 1197 1056 1009 -99 -38 30 N ATOM 1189 CA ALA A 165 28.000 -11.373 46.041 1.00 10.71 C ANISOU 1189 CA ALA A 165 1507 1284 1278 -125 -2 25 C ATOM 1190 C ALA A 165 28.917 -11.193 47.239 1.00 6.93 C ANISOU 1190 C ALA A 165 1024 776 833 -95 17 33 C ATOM 1191 O ALA A 165 29.200 -10.064 47.639 1.00 9.79 O ANISOU 1191 O ALA A 165 1365 1139 1217 -59 5 43 O ATOM 1192 CB ALA A 165 28.832 -11.597 44.783 1.00 13.13 C ANISOU 1192 CB ALA A 165 1862 1558 1568 -128 11 29 C ATOM 0 H ALA A 165 27.462 -9.489 46.307 1.00 8.59 H new ATOM 0 HA ALA A 165 27.431 -12.146 46.178 1.00 10.71 H new ATOM 0 HB1 ALA A 165 29.380 -12.390 44.894 1.00 13.13 H new ATOM 0 HB2 ALA A 165 28.243 -11.716 44.022 1.00 13.13 H new ATOM 0 HB3 ALA A 165 29.403 -10.828 44.632 1.00 13.13 H new ATOM 1193 N PRO A 166 29.394 -12.308 47.814 1.00 10.56 N ANISOU 1193 N PRO A 166 1510 1207 1295 -111 43 29 N ATOM 1194 CA PRO A 166 30.343 -12.205 48.921 1.00 8.40 C ANISOU 1194 CA PRO A 166 1234 910 1049 -81 57 38 C ATOM 1195 C PRO A 166 31.654 -11.573 48.487 1.00 14.25 C ANISOU 1195 C PRO A 166 1980 1626 1807 -49 65 51 C ATOM 1196 O PRO A 166 31.999 -11.552 47.299 1.00 11.80 O ANISOU 1196 O PRO A 166 1691 1308 1485 -52 72 53 O ATOM 1197 CB PRO A 166 30.578 -13.666 49.317 1.00 9.77 C ANISOU 1197 CB PRO A 166 1448 1053 1212 -102 82 34 C ATOM 1198 CG PRO A 166 29.337 -14.378 48.863 1.00 14.29 C ANISOU 1198 CG PRO A 166 2030 1645 1753 -155 77 19 C ATOM 1199 CD PRO A 166 28.965 -13.699 47.584 1.00 11.46 C ANISOU 1199 CD PRO A 166 1660 1312 1382 -158 58 16 C ATOM 0 HA PRO A 166 30.006 -11.648 49.640 1.00 8.40 H new ATOM 0 HB2 PRO A 166 31.370 -14.026 48.888 1.00 9.77 H new ATOM 0 HB3 PRO A 166 30.708 -13.757 50.274 1.00 9.77 H new ATOM 0 HG2 PRO A 166 29.502 -15.324 48.726 1.00 14.29 H new ATOM 0 HG3 PRO A 166 28.628 -14.306 49.521 1.00 14.29 H new ATOM 0 HD2 PRO A 166 29.418 -14.094 46.822 1.00 11.46 H new ATOM 0 HD3 PRO A 166 28.013 -13.757 47.409 1.00 11.46 H new ATOM 1200 N GLY A 167 32.370 -11.050 49.470 1.00 11.14 N ANISOU 1200 N GLY A 167 1568 1227 1440 -23 64 59 N ATOM 1201 CA GLY A 167 33.654 -10.418 49.252 1.00 9.08 C ANISOU 1201 CA GLY A 167 1302 951 1196 -1 71 71 C ATOM 1202 C GLY A 167 34.579 -10.798 50.389 1.00 6.39 C ANISOU 1202 C GLY A 167 954 600 875 19 80 75 C ATOM 1203 O GLY A 167 34.341 -11.787 51.091 1.00 8.26 O ANISOU 1203 O GLY A 167 1204 829 1104 17 87 72 O ATOM 0 H GLY A 167 32.119 -11.053 50.292 1.00 11.14 H new ATOM 0 HA2 GLY A 167 34.029 -10.702 48.404 1.00 9.08 H new ATOM 0 HA3 GLY A 167 33.552 -9.454 49.209 1.00 9.08 H new ATOM 1204 N THR A 168 35.627 -10.006 50.585 1.00 7.12 N ANISOU 1204 N THR A 168 1025 693 987 34 78 85 N ATOM 1205 CA THR A 168 36.678 -10.375 51.523 1.00 6.43 C ANISOU 1205 CA THR A 168 925 604 916 54 82 91 C ATOM 1206 C THR A 168 37.260 -9.184 52.276 1.00 10.12 C ANISOU 1206 C THR A 168 1362 1082 1402 57 61 95 C ATOM 1207 O THR A 168 37.501 -8.137 51.680 1.00 8.22 O ANISOU 1207 O THR A 168 1114 843 1168 44 56 99 O ATOM 1208 CB THR A 168 37.836 -11.063 50.770 1.00 10.91 C ANISOU 1208 CB THR A 168 1495 1165 1484 71 111 96 C ATOM 1209 OG1 THR A 168 37.330 -12.190 50.041 1.00 10.09 O ANISOU 1209 OG1 THR A 168 1432 1043 1357 67 131 88 O ATOM 1210 CG2 THR A 168 38.916 -11.530 51.744 1.00 11.16 C ANISOU 1210 CG2 THR A 168 1507 1203 1530 102 112 103 C ATOM 0 H THR A 168 35.748 -9.254 50.186 1.00 7.12 H new ATOM 0 HA THR A 168 36.263 -10.970 52.168 1.00 6.43 H new ATOM 0 HB THR A 168 38.229 -10.422 50.157 1.00 10.91 H new ATOM 0 HG1 THR A 168 37.166 -11.961 49.250 1.00 10.09 H new ATOM 0 HG21 THR A 168 39.633 -11.959 51.251 1.00 11.16 H new ATOM 0 HG22 THR A 168 39.268 -10.766 52.227 1.00 11.16 H new ATOM 0 HG23 THR A 168 38.534 -12.162 52.373 1.00 11.16 H new ATOM 1211 N TYR A 169 37.472 -9.354 53.584 1.00 7.81 N ANISOU 1211 N TYR A 169 1059 794 1115 69 48 95 N ATOM 1212 CA TYR A 169 38.333 -8.458 54.352 1.00 6.34 C ANISOU 1212 CA TYR A 169 846 619 944 69 29 98 C ATOM 1213 C TYR A 169 39.626 -9.203 54.703 1.00 7.65 C ANISOU 1213 C TYR A 169 990 798 1119 92 36 108 C ATOM 1214 O TYR A 169 39.586 -10.255 55.340 1.00 7.61 O ANISOU 1214 O TYR A 169 998 787 1104 115 38 110 O ATOM 1215 CB TYR A 169 37.648 -7.995 55.646 1.00 6.13 C ANISOU 1215 CB TYR A 169 823 595 912 69 5 89 C ATOM 1216 CG TYR A 169 36.651 -6.873 55.465 1.00 6.71 C ANISOU 1216 CG TYR A 169 907 662 982 58 -7 79 C ATOM 1217 CD1 TYR A 169 37.079 -5.559 55.336 1.00 6.99 C ANISOU 1217 CD1 TYR A 169 940 689 1027 47 -23 78 C ATOM 1218 CD2 TYR A 169 35.284 -7.124 55.452 1.00 7.00 C ANISOU 1218 CD2 TYR A 169 955 702 1004 61 -4 69 C ATOM 1219 CE1 TYR A 169 36.173 -4.517 55.168 1.00 10.15 C ANISOU 1219 CE1 TYR A 169 1359 1076 1422 48 -35 69 C ATOM 1220 CE2 TYR A 169 34.363 -6.086 55.287 1.00 6.55 C ANISOU 1220 CE2 TYR A 169 902 645 942 64 -17 60 C ATOM 1221 CZ TYR A 169 34.818 -4.788 55.142 1.00 7.58 C ANISOU 1221 CZ TYR A 169 1039 758 1082 63 -33 60 C ATOM 1222 OH TYR A 169 33.917 -3.752 54.979 1.00 7.97 O ANISOU 1222 OH TYR A 169 1102 800 1126 77 -47 52 O ATOM 0 H TYR A 169 37.122 -9.989 54.046 1.00 7.81 H new ATOM 0 HA TYR A 169 38.522 -7.673 53.815 1.00 6.34 H new ATOM 0 HB2 TYR A 169 37.194 -8.753 56.047 1.00 6.13 H new ATOM 0 HB3 TYR A 169 38.330 -7.708 56.274 1.00 6.13 H new ATOM 0 HD1 TYR A 169 37.990 -5.372 55.362 1.00 6.99 H new ATOM 0 HD2 TYR A 169 34.978 -7.996 55.555 1.00 7.00 H new ATOM 0 HE1 TYR A 169 36.477 -3.643 55.074 1.00 10.15 H new ATOM 0 HE2 TYR A 169 33.451 -6.267 55.275 1.00 6.55 H new ATOM 0 HH TYR A 169 33.135 -4.041 55.082 1.00 7.97 H new ATOM 1223 N ASN A 170 40.769 -8.667 54.279 1.00 8.28 N ANISOU 1223 N ASN A 170 1037 896 1213 85 39 114 N ATOM 1224 CA ASN A 170 42.057 -9.239 54.670 1.00 7.26 C ANISOU 1224 CA ASN A 170 872 793 1094 112 41 123 C ATOM 1225 C ASN A 170 42.786 -8.302 55.618 1.00 8.07 C ANISOU 1225 C ASN A 170 937 922 1207 94 8 123 C ATOM 1226 O ASN A 170 42.671 -7.089 55.500 1.00 8.04 O ANISOU 1226 O ASN A 170 933 913 1207 55 -4 119 O ATOM 1227 CB ASN A 170 42.941 -9.485 53.450 1.00 7.43 C ANISOU 1227 CB ASN A 170 870 830 1121 119 74 129 C ATOM 1228 CG ASN A 170 42.423 -10.593 52.576 1.00 8.80 C ANISOU 1228 CG ASN A 170 1085 978 1280 141 106 125 C ATOM 1229 OD1 ASN A 170 41.838 -11.561 53.060 1.00 9.20 O ANISOU 1229 OD1 ASN A 170 1171 1006 1319 163 104 123 O ATOM 1230 ND2 ASN A 170 42.656 -10.471 51.279 1.00 7.32 N ANISOU 1230 ND2 ASN A 170 898 794 1088 130 135 125 N ATOM 0 H ASN A 170 40.821 -7.977 53.768 1.00 8.28 H new ATOM 0 HA ASN A 170 41.879 -10.084 55.112 1.00 7.26 H new ATOM 0 HB2 ASN A 170 43.003 -8.669 52.929 1.00 7.43 H new ATOM 0 HB3 ASN A 170 43.839 -9.703 53.744 1.00 7.43 H new ATOM 0 HD21 ASN A 170 42.395 -11.084 50.736 1.00 7.32 H new ATOM 0 HD22 ASN A 170 43.069 -9.778 50.980 1.00 7.32 H new ATOM 1231 N PHE A 171 43.534 -8.881 56.551 1.00 7.45 N ANISOU 1231 N PHE A 171 834 868 1129 123 -8 129 N ATOM 1232 CA PHE A 171 44.345 -8.116 57.493 1.00 11.00 C ANISOU 1232 CA PHE A 171 1244 1350 1584 105 -43 129 C ATOM 1233 C PHE A 171 45.789 -8.551 57.402 1.00 8.27 C ANISOU 1233 C PHE A 171 835 1056 1251 129 -41 140 C ATOM 1234 O PHE A 171 46.095 -9.745 57.482 1.00 8.45 O ANISOU 1234 O PHE A 171 855 1085 1269 186 -31 149 O ATOM 1235 CB PHE A 171 43.840 -8.324 58.923 1.00 8.31 C ANISOU 1235 CB PHE A 171 930 1002 1227 119 -75 125 C ATOM 1236 CG PHE A 171 42.494 -7.710 59.176 1.00 7.28 C ANISOU 1236 CG PHE A 171 848 835 1084 95 -78 111 C ATOM 1237 CD1 PHE A 171 41.333 -8.381 58.806 1.00 10.03 C ANISOU 1237 CD1 PHE A 171 1237 1152 1421 108 -55 110 C ATOM 1238 CD2 PHE A 171 42.392 -6.460 59.762 1.00 10.21 C ANISOU 1238 CD2 PHE A 171 1224 1204 1453 60 -105 98 C ATOM 1239 CE1 PHE A 171 40.087 -7.811 59.024 1.00 12.42 C ANISOU 1239 CE1 PHE A 171 1572 1435 1713 91 -57 96 C ATOM 1240 CE2 PHE A 171 41.152 -5.881 59.988 1.00 11.43 C ANISOU 1240 CE2 PHE A 171 1421 1328 1595 50 -106 83 C ATOM 1241 CZ PHE A 171 39.998 -6.553 59.621 1.00 11.57 C ANISOU 1241 CZ PHE A 171 1466 1326 1603 68 -82 83 C ATOM 0 H PHE A 171 43.586 -9.733 56.656 1.00 7.45 H new ATOM 0 HA PHE A 171 44.275 -7.175 57.266 1.00 11.00 H new ATOM 0 HB2 PHE A 171 43.794 -9.275 59.107 1.00 8.31 H new ATOM 0 HB3 PHE A 171 44.482 -7.946 59.544 1.00 8.31 H new ATOM 0 HD1 PHE A 171 41.393 -9.220 58.409 1.00 10.03 H new ATOM 0 HD2 PHE A 171 43.164 -6.003 60.007 1.00 10.21 H new ATOM 0 HE1 PHE A 171 39.315 -8.265 58.773 1.00 12.42 H new ATOM 0 HE2 PHE A 171 41.096 -5.042 60.386 1.00 11.43 H new ATOM 0 HZ PHE A 171 39.166 -6.167 59.772 1.00 11.57 H new ATOM 1242 N GLY A 172 46.685 -7.585 57.212 1.00 8.61 N ANISOU 1242 N GLY A 172 827 1137 1306 87 -50 139 N ATOM 1243 CA GLY A 172 48.104 -7.873 57.279 1.00 9.49 C ANISOU 1243 CA GLY A 172 862 1316 1430 105 -53 148 C ATOM 1244 C GLY A 172 48.774 -8.203 55.957 1.00 10.08 C ANISOU 1244 C GLY A 172 899 1417 1515 117 -6 154 C ATOM 1245 O GLY A 172 49.983 -8.393 55.910 1.00 11.67 O ANISOU 1245 O GLY A 172 1023 1683 1726 133 -3 160 O ATOM 0 H GLY A 172 46.489 -6.765 57.045 1.00 8.61 H new ATOM 0 HA2 GLY A 172 48.554 -7.107 57.668 1.00 9.49 H new ATOM 0 HA3 GLY A 172 48.237 -8.619 57.885 1.00 9.49 H new ATOM 1246 N PHE A 173 48.004 -8.256 54.877 1.00 9.12 N ANISOU 1246 N PHE A 173 826 1251 1389 109 32 151 N ATOM 1247 CA PHE A 173 48.592 -8.552 53.575 1.00 9.41 C ANISOU 1247 CA PHE A 173 836 1310 1429 118 81 155 C ATOM 1248 C PHE A 173 47.722 -8.062 52.429 1.00 9.02 C ANISOU 1248 C PHE A 173 843 1214 1371 79 109 151 C ATOM 1249 O PHE A 173 46.511 -7.886 52.579 1.00 9.01 O ANISOU 1249 O PHE A 173 905 1158 1359 68 95 146 O ATOM 1250 CB PHE A 173 48.856 -10.056 53.423 1.00 15.87 C ANISOU 1250 CB PHE A 173 1654 2132 2243 204 105 157 C ATOM 1251 CG PHE A 173 47.614 -10.867 53.189 1.00 11.03 C ANISOU 1251 CG PHE A 173 1129 1448 1614 230 118 152 C ATOM 1252 CD1 PHE A 173 46.766 -11.175 54.241 1.00 9.13 C ANISOU 1252 CD1 PHE A 173 936 1169 1364 241 85 152 C ATOM 1253 CD2 PHE A 173 47.296 -11.326 51.915 1.00 10.46 C ANISOU 1253 CD2 PHE A 173 1092 1350 1530 239 164 147 C ATOM 1254 CE1 PHE A 173 45.616 -11.924 54.027 1.00 14.04 C ANISOU 1254 CE1 PHE A 173 1633 1732 1969 253 98 147 C ATOM 1255 CE2 PHE A 173 46.145 -12.073 51.696 1.00 10.24 C ANISOU 1255 CE2 PHE A 173 1145 1262 1485 252 172 140 C ATOM 1256 CZ PHE A 173 45.309 -12.372 52.751 1.00 9.78 C ANISOU 1256 CZ PHE A 173 1126 1169 1420 257 139 141 C ATOM 0 H PHE A 173 47.154 -8.126 54.874 1.00 9.12 H new ATOM 0 HA PHE A 173 49.435 -8.075 53.534 1.00 9.41 H new ATOM 0 HB2 PHE A 173 49.468 -10.196 52.683 1.00 15.87 H new ATOM 0 HB3 PHE A 173 49.299 -10.381 54.223 1.00 15.87 H new ATOM 0 HD1 PHE A 173 46.969 -10.877 55.098 1.00 9.13 H new ATOM 0 HD2 PHE A 173 47.860 -11.131 51.202 1.00 10.46 H new ATOM 0 HE1 PHE A 173 45.052 -12.125 54.739 1.00 14.04 H new ATOM 0 HE2 PHE A 173 45.939 -12.371 50.839 1.00 10.24 H new ATOM 0 HZ PHE A 173 44.539 -12.874 52.607 1.00 9.78 H new ATOM 1257 N ILE A 174 48.355 -7.853 51.279 1.00 9.36 N ANISOU 1257 N ILE A 174 859 1285 1414 60 150 155 N ATOM 1258 CA ILE A 174 47.653 -7.464 50.063 1.00 11.83 C ANISOU 1258 CA ILE A 174 1225 1559 1711 27 179 155 C ATOM 1259 C ILE A 174 47.660 -8.629 49.074 1.00 10.52 C ANISOU 1259 C ILE A 174 1076 1389 1531 79 226 151 C ATOM 1260 O ILE A 174 48.721 -9.092 48.648 1.00 12.63 O ANISOU 1260 O ILE A 174 1291 1706 1801 106 260 153 O ATOM 1261 CB ILE A 174 48.280 -6.195 49.453 1.00 11.81 C ANISOU 1261 CB ILE A 174 1196 1581 1709 -47 190 164 C ATOM 1262 CG1 ILE A 174 47.962 -4.992 50.357 1.00 13.26 C ANISOU 1262 CG1 ILE A 174 1396 1742 1900 -102 141 163 C ATOM 1263 CG2 ILE A 174 47.778 -5.967 48.029 1.00 12.34 C ANISOU 1263 CG2 ILE A 174 1315 1618 1755 -70 227 168 C ATOM 1264 CD1 ILE A 174 48.738 -3.743 50.036 1.00 20.82 C ANISOU 1264 CD1 ILE A 174 2329 2723 2859 -183 145 171 C ATOM 0 H ILE A 174 49.206 -7.933 51.183 1.00 9.36 H new ATOM 0 HA ILE A 174 46.731 -7.251 50.278 1.00 11.83 H new ATOM 0 HB ILE A 174 49.242 -6.305 49.401 1.00 11.81 H new ATOM 0 HG12 ILE A 174 47.014 -4.795 50.292 1.00 13.26 H new ATOM 0 HG13 ILE A 174 48.138 -5.240 51.278 1.00 13.26 H new ATOM 0 HG21 ILE A 174 48.185 -5.165 47.667 1.00 12.34 H new ATOM 0 HG22 ILE A 174 48.016 -6.728 47.476 1.00 12.34 H new ATOM 0 HG23 ILE A 174 46.814 -5.864 48.038 1.00 12.34 H new ATOM 0 HD11 ILE A 174 48.481 -3.036 50.648 1.00 20.82 H new ATOM 0 HD12 ILE A 174 49.687 -3.919 50.127 1.00 20.82 H new ATOM 0 HD13 ILE A 174 48.547 -3.468 49.126 1.00 20.82 H new ATOM 1265 N ASP A 175 46.465 -9.114 48.740 1.00 8.75 N ANISOU 1265 N ASP A 175 926 1109 1291 93 227 145 N ATOM 1266 CA ASP A 175 46.306 -10.262 47.849 1.00 9.76 C ANISOU 1266 CA ASP A 175 1089 1220 1399 137 267 137 C ATOM 1267 C ASP A 175 46.413 -9.761 46.412 1.00 9.81 C ANISOU 1267 C ASP A 175 1108 1233 1386 100 306 139 C ATOM 1268 O ASP A 175 45.495 -9.134 45.891 1.00 11.50 O ANISOU 1268 O ASP A 175 1371 1413 1585 59 296 141 O ATOM 1269 CB ASP A 175 44.945 -10.939 48.096 1.00 9.46 C ANISOU 1269 CB ASP A 175 1123 1123 1347 151 249 128 C ATOM 1270 CG ASP A 175 44.695 -12.135 47.170 1.00 17.60 C ANISOU 1270 CG ASP A 175 2205 2128 2354 185 287 116 C ATOM 1271 OD1 ASP A 175 45.540 -12.441 46.304 1.00 17.26 O ANISOU 1271 OD1 ASP A 175 2146 2110 2303 206 330 114 O ATOM 1272 OD2 ASP A 175 43.633 -12.768 47.310 1.00 16.23 O ANISOU 1272 OD2 ASP A 175 2090 1910 2166 188 275 108 O ATOM 0 H ASP A 175 45.723 -8.786 49.024 1.00 8.75 H new ATOM 0 HA ASP A 175 46.996 -10.922 48.018 1.00 9.76 H new ATOM 0 HB2 ASP A 175 44.899 -11.235 49.018 1.00 9.46 H new ATOM 0 HB3 ASP A 175 44.238 -10.287 47.972 1.00 9.46 H new ATOM 1273 N THR A 176 47.545 -10.031 45.776 1.00 13.28 N ANISOU 1273 N THR A 176 1502 1720 1825 118 351 139 N ATOM 1274 CA THR A 176 47.808 -9.450 44.464 1.00 13.23 C ANISOU 1274 CA THR A 176 1502 1729 1796 76 392 144 C ATOM 1275 C THR A 176 47.015 -10.131 43.355 1.00 15.34 C ANISOU 1275 C THR A 176 1846 1954 2027 91 419 133 C ATOM 1276 O THR A 176 47.073 -9.707 42.205 1.00 20.09 O ANISOU 1276 O THR A 176 2469 2562 2603 57 451 137 O ATOM 1277 CB THR A 176 49.306 -9.488 44.133 1.00 17.94 C ANISOU 1277 CB THR A 176 2015 2401 2399 86 437 147 C ATOM 1278 OG1 THR A 176 49.760 -10.844 44.189 1.00 20.44 O ANISOU 1278 OG1 THR A 176 2319 2731 2715 173 464 133 O ATOM 1279 CG2 THR A 176 50.078 -8.662 45.149 1.00 18.27 C ANISOU 1279 CG2 THR A 176 1978 2491 2472 52 405 158 C ATOM 0 H THR A 176 48.167 -10.541 46.080 1.00 13.28 H new ATOM 0 HA THR A 176 47.515 -8.526 44.511 1.00 13.23 H new ATOM 0 HB THR A 176 49.451 -9.123 43.246 1.00 17.94 H new ATOM 0 HG1 THR A 176 50.217 -10.958 44.885 1.00 20.44 H new ATOM 0 HG21 THR A 176 51.024 -8.689 44.936 1.00 18.27 H new ATOM 0 HG22 THR A 176 49.767 -7.744 45.123 1.00 18.27 H new ATOM 0 HG23 THR A 176 49.936 -9.026 46.037 1.00 18.27 H new ATOM 1280 N THR A 177 46.273 -11.182 43.699 1.00 14.16 N ANISOU 1280 N THR A 177 1744 1762 1873 135 406 119 N ATOM 1281 CA THR A 177 45.419 -11.854 42.724 1.00 11.59 C ANISOU 1281 CA THR A 177 1497 1395 1511 140 424 105 C ATOM 1282 C THR A 177 44.015 -11.254 42.738 1.00 15.82 C ANISOU 1282 C THR A 177 2083 1890 2036 93 379 109 C ATOM 1283 O THR A 177 43.183 -11.589 41.896 1.00 15.87 O ANISOU 1283 O THR A 177 2151 1868 2010 82 384 99 O ATOM 1284 CB THR A 177 45.324 -13.379 42.974 1.00 16.79 C ANISOU 1284 CB THR A 177 2193 2025 2164 205 436 87 C ATOM 1285 OG1 THR A 177 44.536 -13.643 44.146 1.00 19.01 O ANISOU 1285 OG1 THR A 177 2490 2272 2461 210 388 88 O ATOM 1286 CG2 THR A 177 46.711 -13.980 43.143 1.00 25.32 C ANISOU 1286 CG2 THR A 177 3217 3147 3257 269 473 84 C ATOM 0 H THR A 177 46.250 -11.520 44.489 1.00 14.16 H new ATOM 0 HA THR A 177 45.829 -11.718 41.856 1.00 11.59 H new ATOM 0 HB THR A 177 44.897 -13.787 42.205 1.00 16.79 H new ATOM 0 HG1 THR A 177 44.877 -13.253 44.807 1.00 19.01 H new ATOM 0 HG21 THR A 177 46.634 -14.934 43.299 1.00 25.32 H new ATOM 0 HG22 THR A 177 47.231 -13.825 42.339 1.00 25.32 H new ATOM 0 HG23 THR A 177 47.154 -13.564 43.899 1.00 25.32 H new ATOM 1287 N ALA A 178 43.770 -10.349 43.684 1.00 10.50 N ANISOU 1287 N ALA A 178 1382 1218 1389 68 336 121 N ATOM 1288 CA ALA A 178 42.416 -9.839 43.921 1.00 8.07 C ANISOU 1288 CA ALA A 178 1113 876 1076 39 291 122 C ATOM 1289 C ALA A 178 42.049 -8.584 43.125 1.00 18.10 C ANISOU 1289 C ALA A 178 2404 2143 2331 -8 282 136 C ATOM 1290 O ALA A 178 40.926 -8.099 43.228 1.00 15.22 O ANISOU 1290 O ALA A 178 2069 1755 1959 -23 245 137 O ATOM 1291 CB ALA A 178 42.192 -9.592 45.421 1.00 9.71 C ANISOU 1291 CB ALA A 178 1293 1081 1315 46 250 124 C ATOM 0 H ALA A 178 44.372 -10.016 44.200 1.00 10.50 H new ATOM 0 HA ALA A 178 41.824 -10.535 43.597 1.00 8.07 H new ATOM 0 HB1 ALA A 178 41.293 -9.255 45.563 1.00 9.71 H new ATOM 0 HB2 ALA A 178 42.306 -10.424 45.907 1.00 9.71 H new ATOM 0 HB3 ALA A 178 42.835 -8.941 45.742 1.00 9.71 H new ATOM 1292 N TYR A 179 42.985 -8.041 42.354 1.00 11.55 N ANISOU 1292 N TYR A 179 1558 1338 1492 -31 315 147 N ATOM 1293 CA TYR A 179 42.686 -6.835 41.591 1.00 9.70 C ANISOU 1293 CA TYR A 179 1355 1093 1238 -78 307 165 C ATOM 1294 C TYR A 179 43.356 -6.871 40.230 1.00 13.78 C ANISOU 1294 C TYR A 179 1886 1630 1721 -95 359 171 C ATOM 1295 O TYR A 179 44.234 -7.699 39.988 1.00 14.11 O ANISOU 1295 O TYR A 179 1899 1701 1761 -70 404 160 O ATOM 1296 CB TYR A 179 43.121 -5.579 42.362 1.00 12.75 C ANISOU 1296 CB TYR A 179 1711 1483 1652 -112 283 181 C ATOM 1297 CG TYR A 179 44.578 -5.598 42.785 1.00 8.99 C ANISOU 1297 CG TYR A 179 1165 1053 1199 -119 311 183 C ATOM 1298 CD1 TYR A 179 44.959 -6.152 44.010 1.00 12.37 C ANISOU 1298 CD1 TYR A 179 1542 1499 1660 -86 295 172 C ATOM 1299 CD2 TYR A 179 45.569 -5.076 41.962 1.00 11.60 C ANISOU 1299 CD2 TYR A 179 1477 1414 1516 -159 352 196 C ATOM 1300 CE1 TYR A 179 46.294 -6.185 44.399 1.00 10.62 C ANISOU 1300 CE1 TYR A 179 1247 1330 1459 -88 315 174 C ATOM 1301 CE2 TYR A 179 46.899 -5.107 42.341 1.00 11.95 C ANISOU 1301 CE2 TYR A 179 1444 1514 1582 -167 377 197 C ATOM 1302 CZ TYR A 179 47.254 -5.659 43.560 1.00 13.68 C ANISOU 1302 CZ TYR A 179 1607 1755 1835 -129 356 186 C ATOM 1303 OH TYR A 179 48.579 -5.688 43.940 1.00 13.90 O ANISOU 1303 OH TYR A 179 1550 1848 1883 -134 375 187 O ATOM 0 H TYR A 179 43.783 -8.347 42.259 1.00 11.55 H new ATOM 0 HA TYR A 179 41.726 -6.800 41.459 1.00 9.70 H new ATOM 0 HB2 TYR A 179 42.963 -4.798 41.808 1.00 12.75 H new ATOM 0 HB3 TYR A 179 42.565 -5.484 43.151 1.00 12.75 H new ATOM 0 HD1 TYR A 179 44.309 -6.504 44.574 1.00 12.37 H new ATOM 0 HD2 TYR A 179 45.334 -4.700 41.144 1.00 11.60 H new ATOM 0 HE1 TYR A 179 46.537 -6.558 45.216 1.00 10.62 H new ATOM 0 HE2 TYR A 179 47.553 -4.758 41.779 1.00 11.95 H new ATOM 0 HH TYR A 179 49.056 -5.388 43.317 1.00 13.90 H new ATOM 1304 N THR A 180 42.944 -5.966 39.346 1.00 9.25 N ANISOU 1304 N THR A 180 1359 1040 1116 -133 353 188 N ATOM 1305 CA THR A 180 43.587 -5.827 38.045 1.00 9.87 C ANISOU 1305 CA THR A 180 1457 1138 1156 -160 403 198 C ATOM 1306 C THR A 180 44.435 -4.562 38.018 1.00 15.05 C ANISOU 1306 C THR A 180 2094 1808 1818 -215 414 224 C ATOM 1307 O THR A 180 44.194 -3.632 38.792 1.00 14.94 O ANISOU 1307 O THR A 180 2078 1770 1827 -237 372 236 O ATOM 1308 CB THR A 180 42.550 -5.779 36.905 1.00 13.56 C ANISOU 1308 CB THR A 180 2004 1578 1571 -168 391 202 C ATOM 1309 OG1 THR A 180 41.683 -4.656 37.095 1.00 15.31 O ANISOU 1309 OG1 THR A 180 2259 1766 1792 -188 337 222 O ATOM 1310 CG2 THR A 180 41.712 -7.048 36.892 1.00 14.05 C ANISOU 1310 CG2 THR A 180 2088 1628 1623 -127 380 174 C ATOM 0 H THR A 180 42.292 -5.422 39.482 1.00 9.25 H new ATOM 0 HA THR A 180 44.152 -6.604 37.908 1.00 9.87 H new ATOM 0 HB THR A 180 43.023 -5.700 36.062 1.00 13.56 H new ATOM 0 HG1 THR A 180 40.976 -4.770 36.656 1.00 15.31 H new ATOM 0 HG21 THR A 180 41.066 -7.002 36.170 1.00 14.05 H new ATOM 0 HG22 THR A 180 42.290 -7.816 36.760 1.00 14.05 H new ATOM 0 HG23 THR A 180 41.246 -7.137 37.738 1.00 14.05 H new ATOM 1311 N GLY A 181 45.428 -4.529 37.135 1.00 11.02 N ANISOU 1311 N GLY A 181 1570 1334 1283 -242 473 232 N ATOM 1312 CA GLY A 181 46.273 -3.353 36.990 1.00 11.35 C ANISOU 1312 CA GLY A 181 1596 1392 1324 -309 491 258 C ATOM 1313 C GLY A 181 47.032 -3.070 38.274 1.00 11.29 C ANISOU 1313 C GLY A 181 1510 1410 1369 -320 476 255 C ATOM 1314 O GLY A 181 47.417 -3.992 39.003 1.00 13.90 O ANISOU 1314 O GLY A 181 1778 1773 1731 -271 480 234 O ATOM 0 H GLY A 181 45.628 -5.180 36.610 1.00 11.02 H new ATOM 0 HA2 GLY A 181 46.900 -3.488 36.262 1.00 11.35 H new ATOM 0 HA3 GLY A 181 45.728 -2.585 36.756 1.00 11.35 H new ATOM 1315 N ASER A 182 47.241 -1.794 38.569 0.63 12.26 N ANISOU 1315 N ASER A 182 1642 1516 1498 -384 455 276 N ATOM 1316 N BSER A 182 47.245 -1.788 38.554 0.37 12.12 N ANISOU 1316 N BSER A 182 1625 1499 1480 -385 456 276 N ATOM 1317 CA ASER A 182 48.001 -1.419 39.753 0.63 11.58 C ANISOU 1317 CA ASER A 182 1486 1458 1457 -408 438 273 C ATOM 1318 CA BSER A 182 47.995 -1.374 39.733 0.37 16.64 C ANISOU 1318 CA BSER A 182 2129 2097 2097 -410 438 274 C ATOM 1319 C ASER A 182 47.148 -0.681 40.773 0.63 15.54 C ANISOU 1319 C ASER A 182 2025 1898 1980 -409 369 273 C ATOM 1320 C BSER A 182 47.080 -0.803 40.806 0.37 11.18 C ANISOU 1320 C BSER A 182 1471 1346 1429 -401 368 271 C ATOM 1321 O ASER A 182 46.093 -0.128 40.445 0.63 10.93 O ANISOU 1321 O ASER A 182 1524 1254 1375 -407 339 283 O ATOM 1322 O BSER A 182 45.914 -0.489 40.546 0.37 11.78 O ANISOU 1322 O BSER A 182 1625 1364 1487 -384 335 276 O ATOM 1323 CB ASER A 182 49.199 -0.550 39.360 0.63 17.99 C ANISOU 1323 CB ASER A 182 2266 2310 2259 -495 478 293 C ATOM 1324 CB BSER A 182 49.041 -0.318 39.356 0.37 15.02 C ANISOU 1324 CB BSER A 182 1908 1919 1880 -504 470 297 C ATOM 1325 OG ASER A 182 48.760 0.637 38.730 0.63 24.33 O ANISOU 1325 OG ASER A 182 3160 3055 3029 -557 468 320 O ATOM 1326 OG BSER A 182 49.854 -0.757 38.285 0.37 13.00 O ANISOU 1326 OG BSER A 182 1622 1721 1595 -517 541 301 O ATOM 0 H ASER A 182 46.953 -1.133 38.100 0.63 12.12 H new ATOM 0 H BSER A 182 46.960 -1.138 38.069 0.37 12.12 H new ATOM 0 HA ASER A 182 48.311 -2.240 40.165 0.63 16.64 H new ATOM 0 HA BSER A 182 48.434 -2.163 40.087 0.37 16.64 H new ATOM 0 HB2ASER A 182 49.720 -0.331 40.148 0.63 15.02 H new ATOM 0 HB2BSER A 182 48.595 0.507 39.109 0.37 15.02 H new ATOM 0 HB3ASER A 182 49.782 -1.044 38.763 0.63 15.02 H new ATOM 0 HB3BSER A 182 49.596 -0.121 40.126 0.37 15.02 H new ATOM 0 HG ASER A 182 49.166 1.295 39.058 0.63 13.00 H new ATOM 0 HG BSER A 182 50.416 -0.162 38.097 0.37 13.00 H new ATOM 1327 N ILE A 183 47.617 -0.669 42.014 1.00 11.02 N ANISOU 1327 N ILE A 183 1392 1349 1448 -409 344 261 N ATOM 1328 CA ILE A 183 46.926 0.026 43.085 1.00 10.66 C ANISOU 1328 CA ILE A 183 1377 1252 1421 -410 284 257 C ATOM 1329 C ILE A 183 47.436 1.465 43.106 1.00 14.03 C ANISOU 1329 C ILE A 183 1832 1657 1842 -499 277 276 C ATOM 1330 O ILE A 183 48.644 1.703 43.151 1.00 12.08 O ANISOU 1330 O ILE A 183 1525 1462 1601 -558 303 281 O ATOM 1331 CB ILE A 183 47.209 -0.620 44.453 1.00 10.38 C ANISOU 1331 CB ILE A 183 1271 1248 1423 -371 258 235 C ATOM 1332 CG1 ILE A 183 46.848 -2.111 44.430 1.00 9.95 C ANISOU 1332 CG1 ILE A 183 1195 1213 1373 -289 271 219 C ATOM 1333 CG2 ILE A 183 46.436 0.100 45.553 1.00 10.03 C ANISOU 1333 CG2 ILE A 183 1267 1152 1394 -371 199 228 C ATOM 1334 CD1 ILE A 183 47.062 -2.803 45.767 1.00 9.71 C ANISOU 1334 CD1 ILE A 183 1107 1208 1375 -245 244 202 C ATOM 0 H AILE A 183 48.342 -1.063 42.256 0.63 11.02 H new ATOM 0 H BILE A 183 48.389 -0.978 42.232 0.37 11.02 H new ATOM 0 HA ILE A 183 45.970 -0.016 42.926 1.00 10.66 H new ATOM 0 HB ILE A 183 48.157 -0.538 44.640 1.00 10.38 H new ATOM 0 HG12 ILE A 183 45.919 -2.208 44.168 1.00 9.95 H new ATOM 0 HG13 ILE A 183 47.382 -2.556 43.754 1.00 9.95 H new ATOM 0 HG21 ILE A 183 46.624 -0.318 46.408 1.00 10.03 H new ATOM 0 HG22 ILE A 183 46.706 1.031 45.582 1.00 10.03 H new ATOM 0 HG23 ILE A 183 45.485 0.045 45.369 1.00 10.03 H new ATOM 0 HD11 ILE A 183 46.818 -3.739 45.690 1.00 9.71 H new ATOM 0 HD12 ILE A 183 47.995 -2.733 46.022 1.00 9.71 H new ATOM 0 HD13 ILE A 183 46.510 -2.380 46.443 1.00 9.71 H new ATOM 1335 N THR A 184 46.524 2.430 43.055 1.00 9.54 N ANISOU 1335 N THR A 184 821 1251 1553 111 280 163 N ATOM 1336 CA THR A 184 46.932 3.830 43.145 1.00 9.57 C ANISOU 1336 CA THR A 184 811 1274 1552 58 273 232 C ATOM 1337 C THR A 184 46.702 4.341 44.549 1.00 11.39 C ANISOU 1337 C THR A 184 1086 1432 1809 14 214 254 C ATOM 1338 O THR A 184 45.581 4.315 45.049 1.00 9.21 O ANISOU 1338 O THR A 184 874 1114 1513 6 195 228 O ATOM 1339 CB THR A 184 46.160 4.724 42.158 1.00 9.48 C ANISOU 1339 CB THR A 184 817 1302 1483 42 301 245 C ATOM 1340 OG1 THR A 184 46.498 4.337 40.824 1.00 16.56 O ANISOU 1340 OG1 THR A 184 1663 2288 2342 83 356 229 O ATOM 1341 CG2 THR A 184 46.543 6.193 42.351 1.00 10.61 C ANISOU 1341 CG2 THR A 184 947 1443 1643 -17 279 322 C ATOM 0 H THR A 184 45.678 2.301 42.970 1.00 9.54 H new ATOM 0 HA THR A 184 47.874 3.870 42.917 1.00 9.57 H new ATOM 0 HB THR A 184 45.209 4.620 42.318 1.00 9.48 H new ATOM 0 HG1 THR A 184 47.001 4.916 40.483 1.00 16.56 H new ATOM 0 HG21 THR A 184 46.048 6.742 41.722 1.00 10.61 H new ATOM 0 HG22 THR A 184 46.329 6.467 43.257 1.00 10.61 H new ATOM 0 HG23 THR A 184 47.494 6.303 42.196 1.00 10.61 H new ATOM 1342 N TYR A 185 47.778 4.807 45.175 1.00 10.92 N ANISOU 1342 N TYR A 185 988 1368 1792 -14 185 301 N ATOM 1343 CA TYR A 185 47.711 5.283 46.545 1.00 9.26 C ANISOU 1343 CA TYR A 185 814 1100 1603 -53 124 315 C ATOM 1344 C TYR A 185 47.522 6.791 46.602 1.00 11.42 C ANISOU 1344 C TYR A 185 1104 1361 1875 -103 100 347 C ATOM 1345 O TYR A 185 48.022 7.530 45.746 1.00 11.05 O ANISOU 1345 O TYR A 185 1013 1349 1836 -121 120 391 O ATOM 1346 CB TYR A 185 48.963 4.859 47.314 1.00 9.67 C ANISOU 1346 CB TYR A 185 818 1148 1708 -55 92 341 C ATOM 1347 CG TYR A 185 48.994 3.371 47.597 1.00 11.92 C ANISOU 1347 CG TYR A 185 1100 1420 2011 -8 94 309 C ATOM 1348 CD1 TYR A 185 49.546 2.477 46.684 1.00 10.08 C ANISOU 1348 CD1 TYR A 185 813 1222 1795 42 137 290 C ATOM 1349 CD2 TYR A 185 48.467 2.862 48.772 1.00 14.02 C ANISOU 1349 CD2 TYR A 185 1411 1640 2277 -14 51 298 C ATOM 1350 CE1 TYR A 185 49.572 1.109 46.937 1.00 11.23 C ANISOU 1350 CE1 TYR A 185 953 1340 1974 87 129 257 C ATOM 1351 CE2 TYR A 185 48.488 1.492 49.036 1.00 11.43 C ANISOU 1351 CE2 TYR A 185 1075 1289 1978 24 45 282 C ATOM 1352 CZ TYR A 185 49.043 0.624 48.119 1.00 11.99 C ANISOU 1352 CZ TYR A 185 1095 1379 2082 74 80 260 C ATOM 1353 OH TYR A 185 49.072 -0.733 48.392 1.00 10.55 O ANISOU 1353 OH TYR A 185 904 1160 1946 113 63 242 O ATOM 0 H TYR A 185 48.559 4.855 44.819 1.00 10.92 H new ATOM 0 HA TYR A 185 46.937 4.879 46.967 1.00 9.26 H new ATOM 0 HB2 TYR A 185 49.751 5.105 46.804 1.00 9.67 H new ATOM 0 HB3 TYR A 185 49.004 5.346 48.152 1.00 9.67 H new ATOM 0 HD1 TYR A 185 49.905 2.800 45.889 1.00 10.08 H new ATOM 0 HD2 TYR A 185 48.093 3.442 49.395 1.00 14.02 H new ATOM 0 HE1 TYR A 185 49.943 0.525 46.315 1.00 11.23 H new ATOM 0 HE2 TYR A 185 48.128 1.165 49.829 1.00 11.43 H new ATOM 0 HH TYR A 185 48.718 -0.876 49.140 1.00 10.55 H new ATOM 1354 N THR A 186 46.809 7.237 47.626 1.00 8.92 N ANISOU 1354 N THR A 186 846 995 1548 -125 55 327 N ATOM 1355 CA THR A 186 46.432 8.639 47.744 1.00 9.35 C ANISOU 1355 CA THR A 186 925 1021 1607 -164 24 340 C ATOM 1356 C THR A 186 46.492 9.058 49.219 1.00 8.99 C ANISOU 1356 C THR A 186 909 931 1574 -188 -45 322 C ATOM 1357 O THR A 186 46.315 8.231 50.120 1.00 8.82 O ANISOU 1357 O THR A 186 910 908 1533 -171 -59 295 O ATOM 1358 CB THR A 186 45.022 8.872 47.107 1.00 11.95 C ANISOU 1358 CB THR A 186 1303 1348 1890 -151 53 311 C ATOM 1359 OG1 THR A 186 44.783 10.274 46.909 1.00 11.73 O ANISOU 1359 OG1 THR A 186 1285 1293 1882 -184 27 334 O ATOM 1360 CG2 THR A 186 43.926 8.264 47.964 1.00 8.52 C ANISOU 1360 CG2 THR A 186 929 891 1419 -130 43 256 C ATOM 0 H THR A 186 46.531 6.739 48.270 1.00 8.92 H new ATOM 0 HA THR A 186 47.056 9.198 47.255 1.00 9.35 H new ATOM 0 HB THR A 186 45.009 8.430 46.244 1.00 11.95 H new ATOM 0 HG1 THR A 186 44.512 10.616 47.627 1.00 11.73 H new ATOM 0 HG21 THR A 186 43.064 8.422 47.548 1.00 8.52 H new ATOM 0 HG22 THR A 186 44.073 7.309 48.049 1.00 8.52 H new ATOM 0 HG23 THR A 186 43.939 8.672 48.844 1.00 8.52 H new ATOM 1361 N ALA A 187 46.764 10.334 49.467 1.00 10.63 N ANISOU 1361 N ALA A 187 1115 1107 1818 -227 -92 338 N ATOM 1362 CA ALA A 187 46.956 10.811 50.835 1.00 12.67 C ANISOU 1362 CA ALA A 187 1396 1330 2089 -249 -165 311 C ATOM 1363 C ALA A 187 45.695 10.756 51.698 1.00 12.99 C ANISOU 1363 C ALA A 187 1506 1359 2071 -229 -178 245 C ATOM 1364 O ALA A 187 44.567 10.888 51.205 1.00 10.89 O ANISOU 1364 O ALA A 187 1276 1090 1774 -211 -146 221 O ATOM 1365 CB ALA A 187 47.531 12.223 50.831 1.00 12.48 C ANISOU 1365 CB ALA A 187 1350 1263 2127 -295 -220 337 C ATOM 0 H ALA A 187 46.842 10.939 48.861 1.00 10.63 H new ATOM 0 HA ALA A 187 47.587 10.197 51.243 1.00 12.67 H new ATOM 0 HB1 ALA A 187 47.653 12.526 51.745 1.00 12.48 H new ATOM 0 HB2 ALA A 187 48.387 12.223 50.374 1.00 12.48 H new ATOM 0 HB3 ALA A 187 46.920 12.820 50.372 1.00 12.48 H new ATOM 1366 N VAL A 188 45.909 10.569 52.998 1.00 12.28 N ANISOU 1366 N VAL A 188 1430 1271 1964 -232 -226 219 N ATOM 1367 CA VAL A 188 44.824 10.496 53.970 1.00 10.55 C ANISOU 1367 CA VAL A 188 1266 1061 1680 -213 -241 160 C ATOM 1368 C VAL A 188 45.039 11.544 55.058 1.00 10.73 C ANISOU 1368 C VAL A 188 1306 1063 1709 -233 -319 117 C ATOM 1369 O VAL A 188 46.161 11.739 55.528 1.00 13.58 O ANISOU 1369 O VAL A 188 1636 1417 2108 -259 -369 135 O ATOM 1370 CB VAL A 188 44.756 9.094 54.615 1.00 10.07 C ANISOU 1370 CB VAL A 188 1207 1044 1576 -192 -224 170 C ATOM 1371 CG1 VAL A 188 43.914 9.106 55.901 1.00 12.45 C ANISOU 1371 CG1 VAL A 188 1551 1373 1806 -182 -253 123 C ATOM 1372 CG2 VAL A 188 44.202 8.076 53.616 1.00 12.10 C ANISOU 1372 CG2 VAL A 188 1461 1313 1825 -165 -154 188 C ATOM 0 H VAL A 188 46.692 10.481 53.342 1.00 12.28 H new ATOM 0 HA VAL A 188 43.988 10.666 53.508 1.00 10.55 H new ATOM 0 HB VAL A 188 45.658 8.833 54.859 1.00 10.07 H new ATOM 0 HG11 VAL A 188 43.891 8.214 56.281 1.00 12.45 H new ATOM 0 HG12 VAL A 188 44.309 9.719 56.541 1.00 12.45 H new ATOM 0 HG13 VAL A 188 43.011 9.393 55.694 1.00 12.45 H new ATOM 0 HG21 VAL A 188 44.164 7.201 54.033 1.00 12.10 H new ATOM 0 HG22 VAL A 188 43.310 8.342 53.343 1.00 12.10 H new ATOM 0 HG23 VAL A 188 44.780 8.039 52.838 1.00 12.10 H new ATOM 1373 N SER A 189 43.966 12.240 55.422 1.00 11.75 N ANISOU 1373 N SER A 189 1481 1180 1803 -218 -332 54 N ATOM 1374 CA SER A 189 43.960 13.087 56.603 1.00 10.35 C ANISOU 1374 CA SER A 189 1326 994 1611 -222 -406 -13 C ATOM 1375 C SER A 189 43.237 12.363 57.727 1.00 11.54 C ANISOU 1375 C SER A 189 1506 1215 1663 -193 -399 -52 C ATOM 1376 O SER A 189 42.124 11.867 57.539 1.00 13.44 O ANISOU 1376 O SER A 189 1769 1485 1851 -166 -346 -60 O ATOM 1377 CB SER A 189 43.232 14.402 56.316 1.00 14.33 C ANISOU 1377 CB SER A 189 1858 1441 2146 -217 -429 -66 C ATOM 1378 OG SER A 189 43.076 15.151 57.510 1.00 19.08 O ANISOU 1378 OG SER A 189 2486 2040 2725 -208 -500 -153 O ATOM 0 H SER A 189 43.223 12.233 54.990 1.00 11.75 H new ATOM 0 HA SER A 189 44.876 13.280 56.855 1.00 10.35 H new ATOM 0 HB2 SER A 189 43.731 14.920 55.665 1.00 14.33 H new ATOM 0 HB3 SER A 189 42.363 14.219 55.926 1.00 14.33 H new ATOM 0 HG SER A 189 42.360 15.588 57.475 1.00 19.08 H new ATOM 1379 N THR A 190 43.858 12.313 58.899 1.00 13.77 N ANISOU 1379 N THR A 190 1785 1532 1917 -202 -457 -70 N ATOM 1380 CA THR A 190 43.248 11.660 60.048 1.00 15.57 C ANISOU 1380 CA THR A 190 2032 1843 2041 -179 -456 -96 C ATOM 1381 C THR A 190 42.677 12.684 61.029 1.00 19.42 C ANISOU 1381 C THR A 190 2553 2351 2476 -159 -508 -199 C ATOM 1382 O THR A 190 42.278 12.336 62.140 1.00 16.76 O ANISOU 1382 O THR A 190 2227 2099 2042 -141 -518 -229 O ATOM 1383 CB THR A 190 44.278 10.788 60.787 1.00 14.83 C ANISOU 1383 CB THR A 190 1907 1794 1934 -197 -485 -43 C ATOM 1384 OG1 THR A 190 45.349 11.615 61.255 1.00 17.30 O ANISOU 1384 OG1 THR A 190 2204 2079 2289 -224 -565 -67 O ATOM 1385 CG2 THR A 190 44.850 9.733 59.853 1.00 18.78 C ANISOU 1385 CG2 THR A 190 2371 2274 2491 -206 -436 47 C ATOM 0 H THR A 190 44.634 12.652 59.049 1.00 13.77 H new ATOM 0 HA THR A 190 42.527 11.104 59.713 1.00 15.57 H new ATOM 0 HB THR A 190 43.837 10.351 61.532 1.00 14.83 H new ATOM 0 HG1 THR A 190 45.811 11.871 60.602 1.00 17.30 H new ATOM 0 HG21 THR A 190 45.497 9.192 60.333 1.00 18.78 H new ATOM 0 HG22 THR A 190 44.133 9.166 59.527 1.00 18.78 H new ATOM 0 HG23 THR A 190 45.285 10.167 59.102 1.00 18.78 H new ATOM 1386 N LYS A 191 42.628 13.945 60.609 1.00 19.00 N ANISOU 1386 N LYS A 191 2511 2221 2487 -162 -541 -253 N ATOM 1387 CA LYS A 191 42.263 15.042 61.510 1.00 24.04 C ANISOU 1387 CA LYS A 191 3176 2860 3098 -140 -607 -367 C ATOM 1388 C LYS A 191 40.850 14.923 62.090 1.00 22.27 C ANISOU 1388 C LYS A 191 2982 2712 2766 -89 -569 -432 C ATOM 1389 O LYS A 191 40.578 15.426 63.177 1.00 23.91 O ANISOU 1389 O LYS A 191 3206 2971 2907 -62 -616 -526 O ATOM 1390 CB LYS A 191 42.433 16.394 60.807 1.00 20.94 C ANISOU 1390 CB LYS A 191 2786 2351 2819 -154 -653 -402 C ATOM 0 H LYS A 191 42.803 14.190 59.803 1.00 19.00 H new ATOM 0 HA LYS A 191 42.872 14.982 62.262 1.00 24.04 H new ATOM 1391 N GLN A 192 39.957 14.260 61.364 1.00 15.18 N ANISOU 1391 N GLN A 192 2088 1830 1851 -74 -487 -385 N ATOM 1392 CA GLN A 192 38.588 14.047 61.837 1.00 11.98 C ANISOU 1392 CA GLN A 192 1700 1503 1347 -29 -444 -430 C ATOM 1393 C GLN A 192 38.368 12.600 62.289 1.00 20.52 C ANISOU 1393 C GLN A 192 2767 2686 2343 -32 -394 -354 C ATOM 1394 O GLN A 192 37.236 12.190 62.581 1.00 14.28 O ANISOU 1394 O GLN A 192 1981 1970 1474 -4 -347 -361 O ATOM 1395 CB GLN A 192 37.580 14.412 60.749 1.00 16.57 C ANISOU 1395 CB GLN A 192 2294 2030 1973 -10 -395 -434 C ATOM 1396 CG GLN A 192 37.563 15.893 60.396 1.00 25.12 C ANISOU 1396 CG GLN A 192 3391 3016 3139 -1 -448 -509 C ATOM 1397 CD GLN A 192 36.448 16.230 59.428 1.00 37.57 C ANISOU 1397 CD GLN A 192 4976 4551 4746 24 -401 -512 C ATOM 1398 OE1 GLN A 192 35.267 16.162 59.775 1.00 45.88 O ANISOU 1398 OE1 GLN A 192 6039 5663 5729 67 -367 -558 O ATOM 1399 NE2 GLN A 192 36.815 16.581 58.201 1.00 56.00 N ANISOU 1399 NE2 GLN A 192 7303 6792 7182 -5 -399 -455 N ATOM 0 H GLN A 192 40.122 13.923 60.590 1.00 15.18 H new ATOM 0 HA GLN A 192 38.452 14.626 62.603 1.00 11.98 H new ATOM 0 HB2 GLN A 192 37.781 13.900 59.950 1.00 16.57 H new ATOM 0 HB3 GLN A 192 36.693 14.148 61.040 1.00 16.57 H new ATOM 0 HG2 GLN A 192 37.457 16.417 61.206 1.00 25.12 H new ATOM 0 HG3 GLN A 192 38.416 16.142 60.006 1.00 25.12 H new ATOM 0 HE21 GLN A 192 37.649 16.617 57.996 1.00 56.00 H new ATOM 0 HE22 GLN A 192 36.218 16.772 57.612 1.00 56.00 H new ATOM 1400 N GLY A 193 39.453 11.833 62.327 1.00 15.29 N ANISOU 1400 N GLY A 193 2082 2023 1705 -68 -407 -277 N ATOM 1401 CA GLY A 193 39.410 10.449 62.774 1.00 11.45 C ANISOU 1401 CA GLY A 193 1576 1615 1158 -76 -375 -195 C ATOM 1402 C GLY A 193 38.968 9.460 61.713 1.00 12.61 C ANISOU 1402 C GLY A 193 1714 1733 1345 -81 -305 -115 C ATOM 1403 O GLY A 193 38.851 8.264 61.990 1.00 10.53 O ANISOU 1403 O GLY A 193 1432 1519 1049 -89 -281 -43 O ATOM 0 H GLY A 193 40.235 12.103 62.093 1.00 15.29 H new ATOM 0 HA2 GLY A 193 40.291 10.195 63.090 1.00 11.45 H new ATOM 0 HA3 GLY A 193 38.808 10.384 63.532 1.00 11.45 H new ATOM 1404 N PHE A 194 38.717 9.948 60.501 1.00 10.10 N ANISOU 1404 N PHE A 194 1404 1333 1098 -79 -278 -127 N ATOM 1405 CA PHE A 194 38.215 9.092 59.418 1.00 9.89 C ANISOU 1405 CA PHE A 194 1371 1281 1105 -79 -214 -68 C ATOM 1406 C PHE A 194 39.314 8.776 58.415 1.00 9.03 C ANISOU 1406 C PHE A 194 1240 1104 1088 -103 -211 -15 C ATOM 1407 O PHE A 194 40.377 9.388 58.437 1.00 10.92 O ANISOU 1407 O PHE A 194 1469 1308 1373 -121 -254 -21 O ATOM 1408 CB PHE A 194 37.075 9.773 58.653 1.00 9.08 C ANISOU 1408 CB PHE A 194 1289 1150 1010 -56 -180 -112 C ATOM 1409 CG PHE A 194 35.871 10.112 59.491 1.00 12.81 C ANISOU 1409 CG PHE A 194 1778 1693 1397 -24 -173 -170 C ATOM 1410 CD1 PHE A 194 35.162 9.123 60.166 1.00 9.53 C ANISOU 1410 CD1 PHE A 194 1351 1366 905 -18 -143 -134 C ATOM 1411 CD2 PHE A 194 35.426 11.423 59.572 1.00 14.36 C ANISOU 1411 CD2 PHE A 194 1994 1867 1596 1 -196 -259 C ATOM 1412 CE1 PHE A 194 34.051 9.446 60.923 1.00 14.65 C ANISOU 1412 CE1 PHE A 194 2004 2094 1468 14 -131 -184 C ATOM 1413 CE2 PHE A 194 34.315 11.751 60.327 1.00 16.56 C ANISOU 1413 CE2 PHE A 194 2281 2217 1795 40 -186 -321 C ATOM 1414 CZ PHE A 194 33.626 10.764 61.004 1.00 18.95 C ANISOU 1414 CZ PHE A 194 2568 2623 2008 46 -150 -284 C ATOM 0 H PHE A 194 38.829 10.772 60.281 1.00 10.10 H new ATOM 0 HA PHE A 194 37.896 8.277 59.837 1.00 9.89 H new ATOM 0 HB2 PHE A 194 37.413 10.588 58.250 1.00 9.08 H new ATOM 0 HB3 PHE A 194 36.796 9.192 57.928 1.00 9.08 H new ATOM 0 HD1 PHE A 194 35.438 8.237 60.107 1.00 9.53 H new ATOM 0 HD2 PHE A 194 35.881 12.091 59.112 1.00 14.36 H new ATOM 0 HE1 PHE A 194 33.589 8.780 61.378 1.00 14.65 H new ATOM 0 HE2 PHE A 194 34.032 12.635 60.379 1.00 16.56 H new ATOM 0 HZ PHE A 194 32.879 10.982 61.513 1.00 18.95 H new ATOM 1415 N TRP A 195 39.045 7.812 57.537 1.00 8.83 N ANISOU 1415 N TRP A 195 1204 1063 1088 -102 -162 36 N ATOM 1416 CA TRP A 195 39.884 7.567 56.374 1.00 12.86 C ANISOU 1416 CA TRP A 195 1691 1518 1676 -113 -145 73 C ATOM 1417 C TRP A 195 39.477 8.574 55.302 1.00 13.01 C ANISOU 1417 C TRP A 195 1724 1493 1728 -108 -127 42 C ATOM 1418 O TRP A 195 38.735 8.253 54.371 1.00 9.72 O ANISOU 1418 O TRP A 195 1312 1067 1315 -96 -81 49 O ATOM 1419 CB TRP A 195 39.706 6.131 55.874 1.00 8.48 C ANISOU 1419 CB TRP A 195 1121 967 1136 -106 -106 123 C ATOM 1420 CG TRP A 195 40.296 5.106 56.808 1.00 8.24 C ANISOU 1420 CG TRP A 195 1067 965 1097 -114 -132 171 C ATOM 1421 CD1 TRP A 195 39.650 4.433 57.802 1.00 8.46 C ANISOU 1421 CD1 TRP A 195 1099 1046 1069 -114 -139 194 C ATOM 1422 CD2 TRP A 195 41.655 4.644 56.827 1.00 8.92 C ANISOU 1422 CD2 TRP A 195 1118 1033 1237 -124 -157 210 C ATOM 1423 NE1 TRP A 195 40.521 3.574 58.443 1.00 9.86 N ANISOU 1423 NE1 TRP A 195 1248 1236 1264 -125 -170 250 N ATOM 1424 CE2 TRP A 195 41.759 3.690 57.863 1.00 10.68 C ANISOU 1424 CE2 TRP A 195 1328 1293 1437 -129 -182 256 C ATOM 1425 CE3 TRP A 195 42.788 4.936 56.064 1.00 9.92 C ANISOU 1425 CE3 TRP A 195 1216 1122 1430 -130 -160 217 C ATOM 1426 CZ2 TRP A 195 42.952 3.028 58.157 1.00 10.60 C ANISOU 1426 CZ2 TRP A 195 1280 1275 1473 -136 -214 305 C ATOM 1427 CZ3 TRP A 195 43.980 4.283 56.365 1.00 8.81 C ANISOU 1427 CZ3 TRP A 195 1035 980 1331 -135 -187 261 C ATOM 1428 CH2 TRP A 195 44.048 3.336 57.399 1.00 11.56 C ANISOU 1428 CH2 TRP A 195 1375 1357 1661 -137 -215 302 C ATOM 0 H TRP A 195 38.370 7.283 57.602 1.00 8.83 H new ATOM 0 HA TRP A 195 40.822 7.674 56.598 1.00 12.86 H new ATOM 0 HB2 TRP A 195 38.760 5.949 55.758 1.00 8.48 H new ATOM 0 HB3 TRP A 195 40.121 6.044 55.002 1.00 8.48 H new ATOM 0 HD1 TRP A 195 38.751 4.537 58.018 1.00 8.46 H new ATOM 0 HE1 TRP A 195 40.321 3.053 59.097 1.00 9.86 H new ATOM 0 HE3 TRP A 195 42.747 5.553 55.370 1.00 9.92 H new ATOM 0 HZ2 TRP A 195 43.000 2.401 58.842 1.00 10.60 H new ATOM 0 HZ3 TRP A 195 44.745 4.478 55.873 1.00 8.81 H new ATOM 0 HH2 TRP A 195 44.856 2.909 57.572 1.00 11.56 H new ATOM 1429 N GLU A 196 39.958 9.804 55.466 1.00 9.26 N ANISOU 1429 N GLU A 196 1252 988 1279 -120 -169 11 N ATOM 1430 CA GLU A 196 39.532 10.935 54.648 1.00 9.01 C ANISOU 1430 CA GLU A 196 1233 910 1282 -118 -167 -15 C ATOM 1431 C GLU A 196 40.553 11.226 53.557 1.00 8.27 C ANISOU 1431 C GLU A 196 1107 774 1263 -143 -165 34 C ATOM 1432 O GLU A 196 41.747 11.314 53.820 1.00 10.17 O ANISOU 1432 O GLU A 196 1319 1005 1541 -166 -199 58 O ATOM 1433 CB GLU A 196 39.349 12.166 55.537 1.00 10.63 C ANISOU 1433 CB GLU A 196 1460 1099 1479 -115 -225 -83 C ATOM 1434 CG GLU A 196 38.758 13.381 54.833 1.00 10.56 C ANISOU 1434 CG GLU A 196 1465 1034 1515 -108 -233 -113 C ATOM 1435 CD GLU A 196 38.475 14.520 55.802 1.00 33.76 C ANISOU 1435 CD GLU A 196 4426 3954 4448 -94 -296 -199 C ATOM 1436 OE1 GLU A 196 37.938 15.562 55.375 1.00 23.43 O ANISOU 1436 OE1 GLU A 196 3129 2590 3183 -83 -313 -232 O ATOM 1437 OE2 GLU A 196 38.790 14.374 57.001 1.00 20.37 O ANISOU 1437 OE2 GLU A 196 2734 2299 2706 -90 -331 -237 O ATOM 0 H GLU A 196 40.546 10.006 56.060 1.00 9.26 H new ATOM 0 HA GLU A 196 38.689 10.714 54.223 1.00 9.01 H new ATOM 0 HB2 GLU A 196 38.775 11.929 56.282 1.00 10.63 H new ATOM 0 HB3 GLU A 196 40.210 12.411 55.910 1.00 10.63 H new ATOM 0 HG2 GLU A 196 39.372 13.686 54.147 1.00 10.56 H new ATOM 0 HG3 GLU A 196 37.936 13.126 54.386 1.00 10.56 H new ATOM 1438 N TRP A 197 40.077 11.371 52.327 1.00 9.28 N ANISOU 1438 N TRP A 197 1232 885 1408 -138 -124 53 N ATOM 1439 CA TRP A 197 40.973 11.533 51.189 1.00 8.42 C ANISOU 1439 CA TRP A 197 1084 760 1355 -158 -110 109 C ATOM 1440 C TRP A 197 40.324 12.475 50.189 1.00 10.79 C ANISOU 1440 C TRP A 197 1392 1032 1677 -160 -99 116 C ATOM 1441 O TRP A 197 39.199 12.913 50.403 1.00 10.30 O ANISOU 1441 O TRP A 197 1364 957 1592 -142 -103 72 O ATOM 1442 CB TRP A 197 41.273 10.166 50.555 1.00 10.07 C ANISOU 1442 CB TRP A 197 1269 1008 1551 -145 -57 143 C ATOM 1443 CG TRP A 197 40.056 9.500 49.979 1.00 10.81 C ANISOU 1443 CG TRP A 197 1386 1121 1602 -118 -8 127 C ATOM 1444 CD1 TRP A 197 39.000 8.960 50.671 1.00 9.16 C ANISOU 1444 CD1 TRP A 197 1209 926 1345 -99 -2 94 C ATOM 1445 CD2 TRP A 197 39.771 9.297 48.587 1.00 9.49 C ANISOU 1445 CD2 TRP A 197 1205 966 1433 -108 38 146 C ATOM 1446 NE1 TRP A 197 38.073 8.445 49.787 1.00 7.57 N ANISOU 1446 NE1 TRP A 197 1016 736 1123 -81 41 91 N ATOM 1447 CE2 TRP A 197 38.520 8.648 48.505 1.00 9.02 C ANISOU 1447 CE2 TRP A 197 1175 919 1332 -84 65 117 C ATOM 1448 CE3 TRP A 197 40.445 9.617 47.403 1.00 10.18 C ANISOU 1448 CE3 TRP A 197 1256 1064 1547 -117 59 187 C ATOM 1449 CZ2 TRP A 197 37.936 8.302 47.285 1.00 8.72 C ANISOU 1449 CZ2 TRP A 197 1134 898 1279 -69 106 120 C ATOM 1450 CZ3 TRP A 197 39.858 9.269 46.184 1.00 8.91 C ANISOU 1450 CZ3 TRP A 197 1093 933 1361 -99 106 191 C ATOM 1451 CH2 TRP A 197 38.613 8.622 46.140 1.00 7.24 C ANISOU 1451 CH2 TRP A 197 914 727 1109 -75 125 153 C ATOM 0 H TRP A 197 39.240 11.378 52.129 1.00 9.28 H new ATOM 0 HA TRP A 197 41.817 11.913 51.478 1.00 8.42 H new ATOM 0 HB2 TRP A 197 41.934 10.279 49.855 1.00 10.07 H new ATOM 0 HB3 TRP A 197 41.666 9.585 51.225 1.00 10.07 H new ATOM 0 HD1 TRP A 197 38.921 8.944 51.597 1.00 9.16 H new ATOM 0 HE1 TRP A 197 37.335 8.060 50.004 1.00 7.57 H new ATOM 0 HE3 TRP A 197 41.267 10.052 47.427 1.00 10.18 H new ATOM 0 HZ2 TRP A 197 37.114 7.868 47.252 1.00 8.72 H new ATOM 0 HZ3 TRP A 197 40.299 9.469 45.390 1.00 8.91 H new ATOM 0 HH2 TRP A 197 38.241 8.406 45.315 1.00 7.24 H new ATOM 1452 N THR A 198 41.027 12.790 49.103 1.00 8.59 N ANISOU 1452 N THR A 198 1074 748 1441 -181 -86 174 N ATOM 1453 CA THR A 198 40.498 13.724 48.108 1.00 8.74 C ANISOU 1453 CA THR A 198 1093 744 1485 -189 -82 199 C ATOM 1454 C THR A 198 40.482 13.100 46.717 1.00 10.31 C ANISOU 1454 C THR A 198 1264 993 1659 -181 -18 247 C ATOM 1455 O THR A 198 41.535 12.858 46.120 1.00 12.29 O ANISOU 1455 O THR A 198 1467 1276 1928 -196 0 299 O ATOM 1456 CB THR A 198 41.313 15.035 48.083 1.00 12.13 C ANISOU 1456 CB THR A 198 1494 1117 1996 -230 -141 237 C ATOM 1457 OG1 THR A 198 41.284 15.635 49.380 1.00 13.40 O ANISOU 1457 OG1 THR A 198 1683 1230 2177 -231 -208 175 O ATOM 1458 CG2 THR A 198 40.732 16.033 47.072 1.00 9.68 C ANISOU 1458 CG2 THR A 198 1181 777 1720 -240 -144 276 C ATOM 0 H THR A 198 41.807 12.477 48.923 1.00 8.59 H new ATOM 0 HA THR A 198 39.586 13.930 48.366 1.00 8.74 H new ATOM 0 HB THR A 198 42.222 14.818 47.823 1.00 12.13 H new ATOM 0 HG1 THR A 198 41.137 16.459 49.305 1.00 13.40 H new ATOM 0 HG21 THR A 198 41.262 16.845 47.077 1.00 9.68 H new ATOM 0 HG22 THR A 198 40.749 15.642 46.184 1.00 9.68 H new ATOM 0 HG23 THR A 198 39.817 16.243 47.314 1.00 9.68 H new ATOM 1459 N SER A 199 39.282 12.832 46.210 1.00 9.61 N ANISOU 1459 N SER A 199 1203 920 1527 -155 15 225 N ATOM 1460 CA SER A 199 39.126 12.351 44.841 1.00 9.68 C ANISOU 1460 CA SER A 199 1190 981 1505 -145 69 259 C ATOM 1461 C SER A 199 39.487 13.458 43.865 1.00 10.30 C ANISOU 1461 C SER A 199 1234 1057 1621 -174 60 330 C ATOM 1462 O SER A 199 39.271 14.635 44.144 1.00 11.56 O ANISOU 1462 O SER A 199 1405 1157 1831 -195 12 341 O ATOM 1463 CB SER A 199 37.679 11.902 44.591 1.00 7.23 C ANISOU 1463 CB SER A 199 918 683 1145 -114 95 217 C ATOM 1464 OG SER A 199 37.476 11.556 43.227 1.00 9.12 O ANISOU 1464 OG SER A 199 1138 975 1352 -105 139 244 O ATOM 0 H SER A 199 38.545 12.922 46.643 1.00 9.61 H new ATOM 0 HA SER A 199 39.717 11.593 44.710 1.00 9.68 H new ATOM 0 HB2 SER A 199 37.472 11.140 45.155 1.00 7.23 H new ATOM 0 HB3 SER A 199 37.069 12.614 44.841 1.00 7.23 H new ATOM 0 HG SER A 199 38.081 11.029 42.978 1.00 9.12 H new ATOM 1465 N THR A 200 40.003 13.078 42.701 1.00 8.72 N ANISOU 1465 N THR A 200 990 924 1398 -175 105 380 N ATOM 1466 CA THR A 200 40.476 14.055 41.725 1.00 11.55 C ANISOU 1466 CA THR A 200 1303 1300 1785 -208 100 469 C ATOM 1467 C THR A 200 39.403 14.461 40.715 1.00 11.96 C ANISOU 1467 C THR A 200 1367 1371 1805 -201 116 492 C ATOM 1468 O THR A 200 39.641 15.321 39.864 1.00 10.96 O ANISOU 1468 O THR A 200 1203 1261 1700 -231 109 577 O ATOM 1469 CB THR A 200 41.709 13.540 40.976 1.00 11.58 C ANISOU 1469 CB THR A 200 1240 1385 1774 -214 142 522 C ATOM 1470 OG1 THR A 200 41.472 12.184 40.568 1.00 9.29 O ANISOU 1470 OG1 THR A 200 956 1161 1414 -167 198 468 O ATOM 1471 CG2 THR A 200 42.936 13.585 41.891 1.00 13.92 C ANISOU 1471 CG2 THR A 200 1510 1653 2129 -236 110 532 C ATOM 0 H THR A 200 40.089 12.258 42.456 1.00 8.72 H new ATOM 0 HA THR A 200 40.712 14.844 42.238 1.00 11.55 H new ATOM 0 HB THR A 200 41.872 14.099 40.201 1.00 11.58 H new ATOM 0 HG1 THR A 200 42.181 11.856 40.259 1.00 9.29 H new ATOM 0 HG21 THR A 200 43.711 13.257 41.409 1.00 13.92 H new ATOM 0 HG22 THR A 200 43.095 14.499 42.175 1.00 13.92 H new ATOM 0 HG23 THR A 200 42.780 13.027 42.669 1.00 13.92 H new ATOM 1472 N GLY A 201 38.228 13.846 40.807 1.00 9.39 N ANISOU 1472 N GLY A 201 1089 1047 1432 -165 133 424 N ATOM 1473 CA GLY A 201 37.115 14.263 39.970 1.00 11.49 C ANISOU 1473 CA GLY A 201 1369 1325 1673 -158 138 440 C ATOM 1474 C GLY A 201 36.157 13.149 39.594 1.00 8.00 C ANISOU 1474 C GLY A 201 953 929 1156 -118 179 380 C ATOM 1475 O GLY A 201 36.162 12.067 40.199 1.00 8.00 O ANISOU 1475 O GLY A 201 971 932 1135 -95 195 316 O ATOM 0 H GLY A 201 38.058 13.194 41.341 1.00 9.39 H new ATOM 0 HA2 GLY A 201 36.620 14.957 40.433 1.00 11.49 H new ATOM 0 HA3 GLY A 201 37.467 14.659 39.158 1.00 11.49 H new ATOM 1476 N TYR A 202 35.329 13.402 38.588 1.00 8.18 N ANISOU 1476 N TYR A 202 975 987 1145 -113 190 404 N ATOM 1477 CA TYR A 202 34.310 12.426 38.220 1.00 10.82 C ANISOU 1477 CA TYR A 202 1336 1359 1417 -79 218 345 C ATOM 1478 C TYR A 202 33.900 12.487 36.747 1.00 8.13 C ANISOU 1478 C TYR A 202 972 1099 1018 -74 241 385 C ATOM 1479 O TYR A 202 34.131 13.482 36.057 1.00 10.37 O ANISOU 1479 O TYR A 202 1226 1401 1313 -100 230 469 O ATOM 1480 CB TYR A 202 33.067 12.599 39.104 1.00 7.92 C ANISOU 1480 CB TYR A 202 1015 923 1069 -66 190 293 C ATOM 1481 CG TYR A 202 32.290 13.850 38.785 1.00 8.72 C ANISOU 1481 CG TYR A 202 1122 992 1201 -76 158 334 C ATOM 1482 CD1 TYR A 202 32.706 15.090 39.264 1.00 12.31 C ANISOU 1482 CD1 TYR A 202 1570 1378 1730 -100 113 373 C ATOM 1483 CD2 TYR A 202 31.155 13.803 37.984 1.00 8.61 C ANISOU 1483 CD2 TYR A 202 1115 1008 1149 -61 165 335 C ATOM 1484 CE1 TYR A 202 32.009 16.244 38.957 1.00 15.56 C ANISOU 1484 CE1 TYR A 202 1982 1746 2183 -106 76 412 C ATOM 1485 CE2 TYR A 202 30.452 14.950 37.687 1.00 12.84 C ANISOU 1485 CE2 TYR A 202 1651 1509 1720 -68 131 379 C ATOM 1486 CZ TYR A 202 30.882 16.163 38.173 1.00 14.36 C ANISOU 1486 CZ TYR A 202 1837 1628 1993 -89 87 417 C ATOM 1487 OH TYR A 202 30.181 17.309 37.864 1.00 17.65 O ANISOU 1487 OH TYR A 202 2250 1998 2458 -93 46 461 O ATOM 0 H TYR A 202 35.338 14.119 38.113 1.00 8.18 H new ATOM 0 HA TYR A 202 34.712 11.555 38.362 1.00 10.82 H new ATOM 0 HB2 TYR A 202 32.489 11.828 38.995 1.00 7.92 H new ATOM 0 HB3 TYR A 202 33.338 12.621 40.035 1.00 7.92 H new ATOM 0 HD1 TYR A 202 33.465 15.143 39.799 1.00 12.31 H new ATOM 0 HD2 TYR A 202 30.866 12.987 37.644 1.00 8.61 H new ATOM 0 HE1 TYR A 202 32.300 17.067 39.278 1.00 15.56 H new ATOM 0 HE2 TYR A 202 29.688 14.904 37.159 1.00 12.84 H new ATOM 0 HH TYR A 202 30.031 17.332 37.038 1.00 17.65 H new ATOM 1488 N ALA A 203 33.289 11.405 36.275 1.00 9.65 N ANISOU 1488 N ALA A 203 1178 1340 1150 -44 268 326 N ATOM 1489 CA ALA A 203 32.610 11.402 34.982 1.00 9.36 C ANISOU 1489 CA ALA A 203 1129 1378 1049 -34 281 345 C ATOM 1490 C ALA A 203 31.249 10.725 35.135 1.00 9.97 C ANISOU 1490 C ALA A 203 1246 1434 1107 -10 274 273 C ATOM 1491 O ALA A 203 31.059 9.874 36.012 1.00 8.12 O ANISOU 1491 O ALA A 203 1038 1156 891 4 273 206 O ATOM 1492 CB ALA A 203 33.450 10.686 33.926 1.00 12.74 C ANISOU 1492 CB ALA A 203 1516 1918 1408 -19 324 345 C ATOM 0 H ALA A 203 33.256 10.654 36.693 1.00 9.65 H new ATOM 0 HA ALA A 203 32.485 12.317 34.686 1.00 9.36 H new ATOM 0 HB1 ALA A 203 32.980 10.696 33.077 1.00 12.74 H new ATOM 0 HB2 ALA A 203 34.302 11.139 33.829 1.00 12.74 H new ATOM 0 HB3 ALA A 203 33.601 9.768 34.200 1.00 12.74 H new ATOM 1493 N VAL A 204 30.300 11.128 34.295 1.00 11.99 N ANISOU 1493 N VAL A 204 1504 1723 1330 -10 264 297 N ATOM 1494 CA VAL A 204 28.994 10.474 34.250 1.00 7.78 C ANISOU 1494 CA VAL A 204 998 1183 774 11 256 237 C ATOM 1495 C VAL A 204 28.909 9.697 32.940 1.00 10.88 C ANISOU 1495 C VAL A 204 1373 1679 1084 29 277 213 C ATOM 1496 O VAL A 204 29.025 10.285 31.864 1.00 13.47 O ANISOU 1496 O VAL A 204 1673 2082 1363 22 282 274 O ATOM 1497 CB VAL A 204 27.851 11.507 34.303 1.00 7.78 C ANISOU 1497 CB VAL A 204 1010 1142 803 3 223 274 C ATOM 1498 CG1 VAL A 204 26.497 10.803 34.170 1.00 8.31 C ANISOU 1498 CG1 VAL A 204 1098 1215 846 21 216 217 C ATOM 1499 CG2 VAL A 204 27.918 12.302 35.594 1.00 10.53 C ANISOU 1499 CG2 VAL A 204 1375 1393 1231 -7 199 280 C ATOM 0 H VAL A 204 30.392 11.780 33.741 1.00 11.99 H new ATOM 0 HA VAL A 204 28.901 9.887 35.016 1.00 7.78 H new ATOM 0 HB VAL A 204 27.951 12.123 33.561 1.00 7.78 H new ATOM 0 HG11 VAL A 204 25.785 11.461 34.205 1.00 8.31 H new ATOM 0 HG12 VAL A 204 26.459 10.331 33.324 1.00 8.31 H new ATOM 0 HG13 VAL A 204 26.388 10.171 34.898 1.00 8.31 H new ATOM 0 HG21 VAL A 204 27.194 12.948 35.615 1.00 10.53 H new ATOM 0 HG22 VAL A 204 27.835 11.700 36.350 1.00 10.53 H new ATOM 0 HG23 VAL A 204 28.767 12.768 35.644 1.00 10.53 H new ATOM 1500 N GLY A 205 28.724 8.383 33.031 1.00 9.28 N ANISOU 1500 N GLY A 205 1183 1479 864 53 285 126 N ATOM 1501 CA GLY A 205 28.659 7.542 31.851 1.00 11.71 C ANISOU 1501 CA GLY A 205 1475 1878 1095 78 298 79 C ATOM 1502 C GLY A 205 29.874 7.710 30.960 1.00 13.56 C ANISOU 1502 C GLY A 205 1666 2212 1273 84 332 113 C ATOM 1503 O GLY A 205 31.015 7.690 31.436 1.00 13.01 O ANISOU 1503 O GLY A 205 1581 2131 1233 82 351 126 O ATOM 0 H GLY A 205 28.634 7.961 33.775 1.00 9.28 H new ATOM 0 HA2 GLY A 205 28.584 6.613 32.121 1.00 11.71 H new ATOM 0 HA3 GLY A 205 27.858 7.756 31.347 1.00 11.71 H new ATOM 1504 N SER A 206 29.631 7.908 29.669 1.00 11.59 N ANISOU 1504 N SER A 206 1394 2070 939 91 338 135 N ATOM 1505 CA SER A 206 30.726 8.047 28.711 1.00 14.41 C ANISOU 1505 CA SER A 206 1701 2548 1226 99 374 172 C ATOM 1506 C SER A 206 31.168 9.505 28.558 1.00 15.47 C ANISOU 1506 C SER A 206 1808 2689 1383 57 368 306 C ATOM 1507 O SER A 206 31.938 9.834 27.652 1.00 17.57 O ANISOU 1507 O SER A 206 2031 3030 1614 52 376 349 O ATOM 1508 CB SER A 206 30.320 7.473 27.344 1.00 19.31 C ANISOU 1508 CB SER A 206 2312 3260 1766 124 364 118 C ATOM 1509 OG SER A 206 29.244 8.210 26.791 1.00 23.67 O ANISOU 1509 OG SER A 206 2870 3835 2289 105 337 173 O ATOM 0 H SER A 206 28.844 7.965 29.327 1.00 11.59 H new ATOM 0 HA SER A 206 31.479 7.544 29.058 1.00 14.41 H new ATOM 0 HB2 SER A 206 31.079 7.497 26.740 1.00 19.31 H new ATOM 0 HB3 SER A 206 30.064 6.542 27.442 1.00 19.31 H new ATOM 0 HG SER A 206 28.516 7.879 27.048 1.00 23.67 H new ATOM 1510 N GLY A 207 30.679 10.369 29.446 1.00 18.09 N ANISOU 1510 N GLY A 207 2164 2921 1791 27 342 360 N ATOM 1511 CA GLY A 207 30.993 11.788 29.406 1.00 14.60 C ANISOU 1511 CA GLY A 207 1696 2464 1387 -14 327 488 C ATOM 1512 C GLY A 207 32.439 12.123 29.737 1.00 19.10 C ANISOU 1512 C GLY A 207 2231 3027 1999 -33 341 533 C ATOM 1513 O GLY A 207 33.208 11.281 30.195 1.00 14.84 O ANISOU 1513 O GLY A 207 1688 2490 1460 -14 370 473 O ATOM 0 H GLY A 207 30.154 10.144 30.089 1.00 18.09 H new ATOM 0 HA2 GLY A 207 30.788 12.128 28.521 1.00 14.60 H new ATOM 0 HA3 GLY A 207 30.414 12.254 30.030 1.00 14.60 H new ATOM 1514 N THR A 208 32.817 13.372 29.494 1.00 14.43 N ANISOU 1514 N THR A 208 1611 2420 1451 -70 314 638 N ATOM 1515 CA THR A 208 34.173 13.818 29.764 1.00 14.20 C ANISOU 1515 CA THR A 208 1544 2381 1471 -94 317 688 C ATOM 1516 C THR A 208 34.431 13.887 31.265 1.00 16.27 C ANISOU 1516 C THR A 208 1834 2526 1823 -107 307 673 C ATOM 1517 O THR A 208 33.542 14.199 32.054 1.00 17.18 O ANISOU 1517 O THR A 208 1992 2543 1991 -111 277 657 O ATOM 1518 CB THR A 208 34.435 15.204 29.160 1.00 17.93 C ANISOU 1518 CB THR A 208 1976 2856 1982 -132 279 804 C ATOM 1519 OG1 THR A 208 33.502 16.135 29.716 1.00 29.21 O ANISOU 1519 OG1 THR A 208 3435 4176 3486 -153 230 841 O ATOM 1520 CG2 THR A 208 34.271 15.165 27.649 1.00 24.93 C ANISOU 1520 CG2 THR A 208 2827 3870 2777 -120 288 830 C ATOM 0 H THR A 208 32.299 13.978 29.171 1.00 14.43 H new ATOM 0 HA THR A 208 34.771 13.172 29.356 1.00 14.20 H new ATOM 0 HB THR A 208 35.343 15.475 29.366 1.00 17.93 H new ATOM 0 HG1 THR A 208 32.943 16.357 29.129 1.00 29.21 H new ATOM 0 HG21 THR A 208 34.439 16.047 27.282 1.00 24.93 H new ATOM 0 HG22 THR A 208 34.902 14.532 27.271 1.00 24.93 H new ATOM 0 HG23 THR A 208 33.367 14.891 27.428 1.00 24.93 H new ATOM 1521 N PHE A 209 35.662 13.597 31.654 1.00 16.35 N ANISOU 1521 N PHE A 209 1817 2543 1854 -111 326 668 N ATOM 1522 CA PHE A 209 36.026 13.625 33.061 1.00 12.41 C ANISOU 1522 CA PHE A 209 1340 1937 1439 -124 312 648 C ATOM 1523 C PHE A 209 36.172 15.070 33.527 1.00 11.26 C ANISOU 1523 C PHE A 209 1189 1697 1391 -170 255 732 C ATOM 1524 O PHE A 209 36.815 15.887 32.860 1.00 14.70 O ANISOU 1524 O PHE A 209 1580 2163 1841 -194 235 805 O ATOM 1525 CB PHE A 209 37.330 12.856 33.267 1.00 12.60 C ANISOU 1525 CB PHE A 209 1329 2005 1455 -112 348 623 C ATOM 1526 CG PHE A 209 37.753 12.739 34.705 1.00 12.04 C ANISOU 1526 CG PHE A 209 1286 1824 1467 -119 321 578 C ATOM 1527 CD1 PHE A 209 37.236 11.737 35.518 1.00 13.33 C ANISOU 1527 CD1 PHE A 209 1499 1935 1630 -85 320 470 C ATOM 1528 CD2 PHE A 209 38.676 13.620 35.238 1.00 11.85 C ANISOU 1528 CD2 PHE A 209 1232 1752 1520 -161 292 649 C ATOM 1529 CE1 PHE A 209 37.637 11.627 36.844 1.00 16.00 C ANISOU 1529 CE1 PHE A 209 1859 2187 2033 -92 295 436 C ATOM 1530 CE2 PHE A 209 39.083 13.510 36.563 1.00 14.52 C ANISOU 1530 CE2 PHE A 209 1594 1997 1924 -166 263 603 C ATOM 1531 CZ PHE A 209 38.563 12.517 37.363 1.00 18.79 C ANISOU 1531 CZ PHE A 209 2186 2499 2454 -130 266 498 C ATOM 0 H PHE A 209 36.301 13.382 31.121 1.00 16.35 H new ATOM 0 HA PHE A 209 35.329 13.202 33.587 1.00 12.41 H new ATOM 0 HB2 PHE A 209 37.231 11.965 32.896 1.00 12.60 H new ATOM 0 HB3 PHE A 209 38.036 13.295 32.767 1.00 12.60 H new ATOM 0 HD1 PHE A 209 36.617 11.136 35.172 1.00 13.33 H new ATOM 0 HD2 PHE A 209 39.029 14.294 34.704 1.00 11.85 H new ATOM 0 HE1 PHE A 209 37.284 10.956 37.383 1.00 16.00 H new ATOM 0 HE2 PHE A 209 39.706 14.107 36.909 1.00 14.52 H new ATOM 0 HZ PHE A 209 38.833 12.444 38.250 1.00 18.79 H new ATOM 1532 N LYS A 210 35.548 15.381 34.658 1.00 13.86 N ANISOU 1532 N LYS A 210 1568 1905 1791 -171 214 688 N ATOM 1533 CA LYS A 210 35.645 16.699 35.275 1.00 13.68 C ANISOU 1533 CA LYS A 210 1546 1776 1874 -209 153 744 C ATOM 1534 C LYS A 210 36.704 16.663 36.380 1.00 10.81 C ANISOU 1534 C LYS A 210 1180 1355 1574 -223 137 720 C ATOM 1535 O LYS A 210 36.549 15.950 37.376 1.00 11.67 O ANISOU 1535 O LYS A 210 1329 1423 1681 -197 139 622 O ATOM 1536 CB LYS A 210 34.278 17.090 35.853 1.00 11.13 C ANISOU 1536 CB LYS A 210 1280 1364 1587 -190 113 689 C ATOM 1537 CG LYS A 210 34.229 18.416 36.611 1.00 18.53 C ANISOU 1537 CG LYS A 210 2226 2176 2640 -214 41 717 C ATOM 1538 CD LYS A 210 34.451 19.602 35.699 1.00 22.65 C ANISOU 1538 CD LYS A 210 2703 2707 3197 -243 5 810 C ATOM 1539 CE LYS A 210 34.271 20.914 36.456 1.00 17.53 C ANISOU 1539 CE LYS A 210 2065 1932 2664 -253 -75 802 C ATOM 1540 NZ LYS A 210 34.373 22.082 35.540 1.00 15.68 N ANISOU 1540 NZ LYS A 210 1784 1705 2470 -278 -115 891 N ATOM 0 H LYS A 210 35.052 14.829 35.092 1.00 13.86 H new ATOM 0 HA LYS A 210 35.905 17.358 34.613 1.00 13.68 H new ATOM 0 HB2 LYS A 210 33.638 17.129 35.125 1.00 11.13 H new ATOM 0 HB3 LYS A 210 33.985 16.384 36.451 1.00 11.13 H new ATOM 0 HG2 LYS A 210 33.369 18.504 37.050 1.00 18.53 H new ATOM 0 HG3 LYS A 210 34.904 18.414 37.307 1.00 18.53 H new ATOM 0 HD2 LYS A 210 35.344 19.562 35.322 1.00 22.65 H new ATOM 0 HD3 LYS A 210 33.828 19.565 34.957 1.00 22.65 H new ATOM 0 HE2 LYS A 210 33.407 20.920 36.897 1.00 17.53 H new ATOM 0 HE3 LYS A 210 34.944 20.985 37.151 1.00 17.53 H new ATOM 0 HZ1 LYS A 210 34.055 22.807 35.947 1.00 15.68 H new ATOM 0 HZ2 LYS A 210 35.225 22.215 35.321 1.00 15.68 H new ATOM 0 HZ3 LYS A 210 33.899 21.924 34.803 1.00 15.68 H new ATOM 1541 N SER A 211 37.792 17.406 36.191 1.00 12.83 N ANISOU 1541 N SER A 211 1387 1613 1874 -256 112 787 N ATOM 1542 CA SER A 211 38.817 17.493 37.225 1.00 12.47 C ANISOU 1542 CA SER A 211 1334 1510 1893 -275 87 771 C ATOM 1543 C SER A 211 38.378 18.460 38.311 1.00 17.21 C ANISOU 1543 C SER A 211 1974 1977 2589 -286 13 740 C ATOM 1544 O SER A 211 38.244 19.658 38.070 1.00 16.34 O ANISOU 1544 O SER A 211 1851 1822 2534 -304 -40 780 O ATOM 1545 CB SER A 211 40.154 17.944 36.634 1.00 17.76 C ANISOU 1545 CB SER A 211 1935 2236 2577 -301 82 846 C ATOM 1546 OG SER A 211 40.687 16.952 35.775 1.00 25.24 O ANISOU 1546 OG SER A 211 2846 3311 3435 -281 151 854 O ATOM 0 H SER A 211 37.954 17.862 35.480 1.00 12.83 H new ATOM 0 HA SER A 211 38.936 16.611 37.610 1.00 12.47 H new ATOM 0 HB2 SER A 211 40.032 18.771 36.142 1.00 17.76 H new ATOM 0 HB3 SER A 211 40.782 18.129 37.350 1.00 17.76 H new ATOM 0 HG SER A 211 41.419 17.218 35.460 1.00 25.24 H new ATOM 1547 N THR A 212 38.162 17.934 39.510 1.00 12.75 N ANISOU 1547 N THR A 212 1453 1351 2040 -272 7 661 N ATOM 1548 CA THR A 212 37.732 18.749 40.635 1.00 13.17 C ANISOU 1548 CA THR A 212 1546 1287 2170 -271 -62 606 C ATOM 1549 C THR A 212 37.984 17.994 41.937 1.00 12.36 C ANISOU 1549 C THR A 212 1477 1167 2053 -250 -62 508 C ATOM 1550 O THR A 212 37.754 16.794 42.016 1.00 14.84 O ANISOU 1550 O THR A 212 1808 1541 2290 -218 -10 455 O ATOM 1551 CB THR A 212 36.237 19.160 40.516 1.00 14.42 C ANISOU 1551 CB THR A 212 1746 1407 2327 -243 -77 573 C ATOM 1552 OG1 THR A 212 35.870 19.971 41.638 1.00 17.65 O ANISOU 1552 OG1 THR A 212 2188 1709 2810 -234 -144 508 O ATOM 1553 CG2 THR A 212 35.316 17.938 40.455 1.00 12.49 C ANISOU 1553 CG2 THR A 212 1536 1228 1981 -196 -18 498 C ATOM 0 H THR A 212 38.260 17.099 39.693 1.00 12.75 H new ATOM 0 HA THR A 212 38.251 19.569 40.632 1.00 13.17 H new ATOM 0 HB THR A 212 36.133 19.659 39.691 1.00 14.42 H new ATOM 0 HG1 THR A 212 35.266 19.586 42.076 1.00 17.65 H new ATOM 0 HG21 THR A 212 34.394 18.231 40.381 1.00 12.49 H new ATOM 0 HG22 THR A 212 35.546 17.397 39.683 1.00 12.49 H new ATOM 0 HG23 THR A 212 35.424 17.411 41.262 1.00 12.49 H new ATOM 1554 N SER A 213 38.494 18.690 42.948 1.00 14.37 N ANISOU 1554 N SER A 213 1736 1340 2383 -269 -126 485 N ATOM 1555 CA SER A 213 38.823 18.029 44.210 1.00 14.09 C ANISOU 1555 CA SER A 213 1727 1299 2328 -252 -132 401 C ATOM 1556 C SER A 213 37.572 17.736 45.033 1.00 15.05 C ANISOU 1556 C SER A 213 1907 1404 2407 -205 -131 298 C ATOM 1557 O SER A 213 36.801 18.639 45.358 1.00 16.11 O ANISOU 1557 O SER A 213 2066 1474 2581 -194 -175 264 O ATOM 1558 CB SER A 213 39.801 18.869 45.033 1.00 15.01 C ANISOU 1558 CB SER A 213 1828 1342 2534 -288 -206 406 C ATOM 1559 OG SER A 213 41.068 18.954 44.401 1.00 16.33 O ANISOU 1559 OG SER A 213 1933 1550 2721 -325 -198 492 O ATOM 0 H SER A 213 38.656 19.534 42.927 1.00 14.37 H new ATOM 0 HA SER A 213 39.246 17.185 43.986 1.00 14.09 H new ATOM 0 HB2 SER A 213 39.439 19.760 45.158 1.00 15.01 H new ATOM 0 HB3 SER A 213 39.903 18.478 45.915 1.00 15.01 H new ATOM 0 HG SER A 213 41.157 18.315 43.864 1.00 16.33 H new ATOM 1560 N ILE A 214 37.375 16.471 45.380 1.00 10.58 N ANISOU 1560 N ILE A 214 1359 898 1764 -178 -82 252 N ATOM 1561 CA ILE A 214 36.254 16.101 46.229 1.00 10.02 C ANISOU 1561 CA ILE A 214 1334 826 1648 -138 -78 167 C ATOM 1562 C ILE A 214 36.748 15.396 47.485 1.00 10.31 C ANISOU 1562 C ILE A 214 1382 877 1657 -132 -85 116 C ATOM 1563 O ILE A 214 37.153 14.232 47.439 1.00 9.53 O ANISOU 1563 O ILE A 214 1273 831 1516 -128 -45 126 O ATOM 1564 CB ILE A 214 35.258 15.201 45.487 1.00 9.34 C ANISOU 1564 CB ILE A 214 1258 798 1494 -111 -17 164 C ATOM 1565 CG1 ILE A 214 34.765 15.895 44.213 1.00 11.34 C ANISOU 1565 CG1 ILE A 214 1497 1047 1765 -118 -13 220 C ATOM 1566 CG2 ILE A 214 34.070 14.878 46.373 1.00 10.46 C ANISOU 1566 CG2 ILE A 214 1437 942 1594 -75 -14 88 C ATOM 1567 CD1 ILE A 214 34.046 14.956 43.265 1.00 15.82 C ANISOU 1567 CD1 ILE A 214 2066 1682 2265 -99 44 227 C ATOM 0 H ILE A 214 37.876 15.816 45.136 1.00 10.58 H new ATOM 0 HA ILE A 214 35.796 16.919 46.479 1.00 10.02 H new ATOM 0 HB ILE A 214 35.712 14.377 45.251 1.00 9.34 H new ATOM 0 HG12 ILE A 214 34.168 16.620 44.456 1.00 11.34 H new ATOM 0 HG13 ILE A 214 35.522 16.292 43.754 1.00 11.34 H new ATOM 0 HG21 ILE A 214 33.451 14.309 45.890 1.00 10.46 H new ATOM 0 HG22 ILE A 214 34.376 14.418 47.170 1.00 10.46 H new ATOM 0 HG23 ILE A 214 33.622 15.700 46.627 1.00 10.46 H new ATOM 0 HD11 ILE A 214 33.757 15.447 42.480 1.00 15.82 H new ATOM 0 HD12 ILE A 214 34.647 14.243 42.997 1.00 15.82 H new ATOM 0 HD13 ILE A 214 33.273 14.576 43.710 1.00 15.82 H new ATOM 1568 N ASP A 215 36.719 16.108 48.606 1.00 8.41 N ANISOU 1568 N ASP A 215 1161 593 1442 -127 -140 59 N ATOM 1569 CA ASP A 215 37.130 15.533 49.886 1.00 9.78 C ANISOU 1569 CA ASP A 215 1346 790 1581 -121 -154 11 C ATOM 1570 C ASP A 215 36.014 14.671 50.470 1.00 17.63 C ANISOU 1570 C ASP A 215 2368 1836 2495 -83 -117 -39 C ATOM 1571 O ASP A 215 34.869 15.096 50.535 1.00 14.29 O ANISOU 1571 O ASP A 215 1966 1407 2057 -56 -116 -80 O ATOM 1572 CB ASP A 215 37.482 16.648 50.867 1.00 12.40 C ANISOU 1572 CB ASP A 215 1687 1064 1962 -127 -233 -40 C ATOM 1573 CG ASP A 215 37.877 16.118 52.226 1.00 22.12 C ANISOU 1573 CG ASP A 215 2928 2330 3146 -120 -252 -91 C ATOM 1574 OD1 ASP A 215 36.976 15.721 52.987 1.00 27.32 O ANISOU 1574 OD1 ASP A 215 3612 3032 3734 -85 -236 -149 O ATOM 1575 OD2 ASP A 215 39.086 16.103 52.533 1.00 31.07 O ANISOU 1575 OD2 ASP A 215 4039 3455 4310 -150 -285 -67 O ATOM 0 H ASP A 215 36.464 16.928 48.649 1.00 8.41 H new ATOM 0 HA ASP A 215 37.910 14.975 49.736 1.00 9.78 H new ATOM 0 HB2 ASP A 215 38.211 17.176 50.505 1.00 12.40 H new ATOM 0 HB3 ASP A 215 36.722 17.242 50.963 1.00 12.40 H new ATOM 1576 N GLY A 216 36.344 13.463 50.907 1.00 10.30 N ANISOU 1576 N GLY A 216 1435 959 1519 -82 -90 -31 N ATOM 1577 CA GLY A 216 35.319 12.592 51.455 1.00 9.64 C ANISOU 1577 CA GLY A 216 1369 927 1365 -55 -58 -61 C ATOM 1578 C GLY A 216 35.945 11.459 52.234 1.00 13.86 C ANISOU 1578 C GLY A 216 1895 1504 1867 -61 -53 -47 C ATOM 1579 O GLY A 216 37.165 11.364 52.288 1.00 9.84 O ANISOU 1579 O GLY A 216 1365 983 1389 -84 -73 -19 O ATOM 0 H GLY A 216 37.139 13.135 50.896 1.00 10.30 H new ATOM 0 HA2 GLY A 216 34.730 13.102 52.033 1.00 9.64 H new ATOM 0 HA3 GLY A 216 34.773 12.235 50.737 1.00 9.64 H new ATOM 1580 N ILE A 217 35.118 10.603 52.834 1.00 9.00 N ANISOU 1580 N ILE A 217 1290 938 1193 -44 -29 -59 N ATOM 1581 CA ILE A 217 35.648 9.484 53.621 1.00 10.39 C ANISOU 1581 CA ILE A 217 1454 1153 1342 -52 -30 -33 C ATOM 1582 C ILE A 217 35.348 8.128 52.989 1.00 12.35 C ANISOU 1582 C ILE A 217 1689 1415 1587 -51 13 9 C ATOM 1583 O ILE A 217 34.304 7.937 52.377 1.00 11.06 O ANISOU 1583 O ILE A 217 1535 1256 1413 -39 44 5 O ATOM 1584 CB ILE A 217 35.146 9.520 55.075 1.00 7.56 C ANISOU 1584 CB ILE A 217 1107 850 917 -39 -50 -69 C ATOM 1585 CG1 ILE A 217 33.630 9.330 55.142 1.00 13.10 C ANISOU 1585 CG1 ILE A 217 1818 1590 1569 -15 -16 -87 C ATOM 1586 CG2 ILE A 217 35.535 10.842 55.726 1.00 8.08 C ANISOU 1586 CG2 ILE A 217 1184 897 989 -36 -103 -127 C ATOM 1587 CD1 ILE A 217 33.096 9.160 56.558 1.00 15.52 C ANISOU 1587 CD1 ILE A 217 2125 1977 1796 -1 -24 -109 C ATOM 0 H ILE A 217 34.260 10.649 52.800 1.00 9.00 H new ATOM 0 HA ILE A 217 36.612 9.596 53.627 1.00 10.39 H new ATOM 0 HB ILE A 217 35.563 8.788 55.557 1.00 7.56 H new ATOM 0 HG12 ILE A 217 33.198 10.095 54.732 1.00 13.10 H new ATOM 0 HG13 ILE A 217 33.386 8.551 54.617 1.00 13.10 H new ATOM 0 HG21 ILE A 217 35.216 10.858 56.642 1.00 8.08 H new ATOM 0 HG22 ILE A 217 36.501 10.935 55.719 1.00 8.08 H new ATOM 0 HG23 ILE A 217 35.137 11.576 55.232 1.00 8.08 H new ATOM 0 HD11 ILE A 217 32.133 9.045 56.529 1.00 15.52 H new ATOM 0 HD12 ILE A 217 33.503 8.380 56.966 1.00 15.52 H new ATOM 0 HD13 ILE A 217 33.311 9.947 57.082 1.00 15.52 H new ATOM 1588 N ALA A 218 36.288 7.194 53.116 1.00 6.83 N ANISOU 1588 N ALA A 218 970 719 908 -63 9 47 N ATOM 1589 CA ALA A 218 36.037 5.832 52.669 1.00 7.76 C ANISOU 1589 CA ALA A 218 1075 840 1034 -59 37 79 C ATOM 1590 C ALA A 218 35.336 5.130 53.826 1.00 10.89 C ANISOU 1590 C ALA A 218 1474 1280 1384 -59 30 94 C ATOM 1591 O ALA A 218 35.946 4.900 54.875 1.00 9.88 O ANISOU 1591 O ALA A 218 1337 1177 1241 -69 1 113 O ATOM 1592 CB ALA A 218 37.346 5.141 52.313 1.00 12.41 C ANISOU 1592 CB ALA A 218 1634 1409 1672 -65 32 111 C ATOM 0 H ALA A 218 37.067 7.328 53.454 1.00 6.83 H new ATOM 0 HA ALA A 218 35.488 5.811 51.870 1.00 7.76 H new ATOM 0 HB1 ALA A 218 37.164 4.235 52.017 1.00 12.41 H new ATOM 0 HB2 ALA A 218 37.788 5.631 51.601 1.00 12.41 H new ATOM 0 HB3 ALA A 218 37.922 5.116 53.093 1.00 12.41 H new ATOM 1593 N ASP A 219 34.051 4.824 53.645 1.00 6.66 N ANISOU 1593 N ASP A 219 946 761 824 -51 56 90 N ATOM 1594 CA ASP A 219 33.217 4.319 54.737 1.00 10.89 C ANISOU 1594 CA ASP A 219 1477 1353 1307 -53 54 110 C ATOM 1595 C ASP A 219 32.470 3.032 54.352 1.00 7.61 C ANISOU 1595 C ASP A 219 1047 931 913 -59 72 152 C ATOM 1596 O ASP A 219 31.411 3.070 53.720 1.00 6.65 O ANISOU 1596 O ASP A 219 931 807 788 -52 96 138 O ATOM 1597 CB ASP A 219 32.222 5.404 55.185 1.00 8.25 C ANISOU 1597 CB ASP A 219 1160 1060 915 -36 61 62 C ATOM 1598 CG ASP A 219 31.414 4.996 56.404 1.00 11.00 C ANISOU 1598 CG ASP A 219 1496 1490 1193 -36 63 83 C ATOM 1599 OD1 ASP A 219 31.584 3.864 56.905 1.00 11.31 O ANISOU 1599 OD1 ASP A 219 1514 1552 1233 -55 56 146 O ATOM 1600 OD2 ASP A 219 30.595 5.815 56.863 1.00 14.59 O ANISOU 1600 OD2 ASP A 219 1958 1992 1595 -14 71 38 O ATOM 0 H ASP A 219 33.641 4.902 52.893 1.00 6.66 H new ATOM 0 HA ASP A 219 33.806 4.096 55.475 1.00 10.89 H new ATOM 0 HB2 ASP A 219 32.708 6.220 55.383 1.00 8.25 H new ATOM 0 HB3 ASP A 219 31.617 5.604 54.454 1.00 8.25 H new ATOM 1601 N THR A 220 33.022 1.894 54.756 1.00 7.29 N ANISOU 1601 N THR A 220 986 884 902 -74 53 206 N ATOM 1602 CA THR A 220 32.400 0.604 54.453 1.00 7.14 C ANISOU 1602 CA THR A 220 948 843 920 -83 57 249 C ATOM 1603 C THR A 220 31.057 0.430 55.153 1.00 7.38 C ANISOU 1603 C THR A 220 970 933 900 -93 67 278 C ATOM 1604 O THR A 220 30.259 -0.411 54.756 1.00 7.42 O ANISOU 1604 O THR A 220 962 920 938 -103 72 306 O ATOM 1605 CB THR A 220 33.304 -0.581 54.854 1.00 7.48 C ANISOU 1605 CB THR A 220 965 858 1017 -96 25 307 C ATOM 1606 OG1 THR A 220 33.599 -0.510 56.256 1.00 8.47 O ANISOU 1606 OG1 THR A 220 1081 1045 1093 -111 1 350 O ATOM 1607 CG2 THR A 220 34.603 -0.565 54.042 1.00 9.64 C ANISOU 1607 CG2 THR A 220 1237 1076 1349 -81 19 278 C ATOM 0 H THR A 220 33.754 1.843 55.205 1.00 7.29 H new ATOM 0 HA THR A 220 32.266 0.605 53.492 1.00 7.14 H new ATOM 0 HB THR A 220 32.836 -1.409 54.666 1.00 7.48 H new ATOM 0 HG1 THR A 220 33.109 -1.049 56.673 1.00 8.47 H new ATOM 0 HG21 THR A 220 35.159 -1.315 54.306 1.00 9.64 H new ATOM 0 HG22 THR A 220 34.395 -0.634 53.097 1.00 9.64 H new ATOM 0 HG23 THR A 220 35.079 0.264 54.208 1.00 9.64 H new ATOM 1608 N GLY A 221 30.816 1.210 56.203 1.00 7.63 N ANISOU 1608 N GLY A 221 1005 1041 852 -90 68 270 N ATOM 1609 CA GLY A 221 29.582 1.079 56.959 1.00 8.04 C ANISOU 1609 CA GLY A 221 1039 1171 843 -95 83 301 C ATOM 1610 C GLY A 221 28.422 1.918 56.442 1.00 7.76 C ANISOU 1610 C GLY A 221 1016 1154 780 -74 116 246 C ATOM 1611 O GLY A 221 27.361 1.948 57.063 1.00 11.23 O ANISOU 1611 O GLY A 221 1435 1668 1163 -73 134 263 O ATOM 0 H GLY A 221 31.353 1.817 56.490 1.00 7.63 H new ATOM 0 HA2 GLY A 221 29.315 0.146 56.959 1.00 8.04 H new ATOM 0 HA3 GLY A 221 29.755 1.324 57.881 1.00 8.04 H new ATOM 1612 N THR A 222 28.635 2.617 55.333 1.00 7.27 N ANISOU 1612 N THR A 222 980 1028 754 -57 124 185 N ATOM 1613 CA THR A 222 27.578 3.415 54.708 1.00 7.07 C ANISOU 1613 CA THR A 222 965 1007 714 -36 149 138 C ATOM 1614 C THR A 222 27.224 2.779 53.374 1.00 6.72 C ANISOU 1614 C THR A 222 920 900 733 -44 157 145 C ATOM 1615 O THR A 222 28.108 2.418 52.598 1.00 8.14 O ANISOU 1615 O THR A 222 1108 1019 965 -48 147 142 O ATOM 1616 CB THR A 222 28.009 4.880 54.512 1.00 7.55 C ANISOU 1616 CB THR A 222 1053 1051 764 -10 145 65 C ATOM 1617 OG1 THR A 222 28.100 5.519 55.791 1.00 11.42 O ANISOU 1617 OG1 THR A 222 1543 1607 1190 3 134 41 O ATOM 1618 CG2 THR A 222 26.981 5.646 53.645 1.00 9.16 C ANISOU 1618 CG2 THR A 222 1266 1241 974 11 165 25 C ATOM 0 H THR A 222 29.390 2.644 54.922 1.00 7.27 H new ATOM 0 HA THR A 222 26.803 3.427 55.291 1.00 7.07 H new ATOM 0 HB THR A 222 28.869 4.890 54.063 1.00 7.55 H new ATOM 0 HG1 THR A 222 28.907 5.582 56.016 1.00 11.42 H new ATOM 0 HG21 THR A 222 27.271 6.565 53.534 1.00 9.16 H new ATOM 0 HG22 THR A 222 26.911 5.222 52.775 1.00 9.16 H new ATOM 0 HG23 THR A 222 26.115 5.632 54.081 1.00 9.16 H new ATOM 1619 N THR A 223 25.928 2.624 53.118 1.00 6.77 N ANISOU 1619 N THR A 223 912 928 731 -43 175 152 N ATOM 1620 CA THR A 223 25.467 1.893 51.938 1.00 7.78 C ANISOU 1620 CA THR A 223 1036 1005 915 -53 175 158 C ATOM 1621 C THR A 223 25.750 2.613 50.634 1.00 6.15 C ANISOU 1621 C THR A 223 856 751 730 -34 181 104 C ATOM 1622 O THR A 223 26.249 2.015 49.678 1.00 8.43 O ANISOU 1622 O THR A 223 1149 990 1065 -38 173 98 O ATOM 1623 CB THR A 223 23.960 1.640 51.989 1.00 9.91 C ANISOU 1623 CB THR A 223 1280 1314 1171 -59 189 181 C ATOM 1624 OG1 THR A 223 23.612 1.098 53.261 1.00 8.54 O ANISOU 1624 OG1 THR A 223 1075 1207 965 -78 188 242 O ATOM 1625 CG2 THR A 223 23.542 0.645 50.892 1.00 8.62 C ANISOU 1625 CG2 THR A 223 1108 1094 1074 -77 175 192 C ATOM 0 H THR A 223 25.298 2.934 53.615 1.00 6.77 H new ATOM 0 HA THR A 223 25.965 1.061 51.958 1.00 7.78 H new ATOM 0 HB THR A 223 23.500 2.482 51.846 1.00 9.91 H new ATOM 0 HG1 THR A 223 23.882 0.304 53.311 1.00 8.54 H new ATOM 0 HG21 THR A 223 22.585 0.496 50.938 1.00 8.62 H new ATOM 0 HG22 THR A 223 23.771 1.007 50.022 1.00 8.62 H new ATOM 0 HG23 THR A 223 24.007 -0.196 51.024 1.00 8.62 H new ATOM 1626 N LEU A 224 25.403 3.895 50.595 1.00 6.07 N ANISOU 1626 N LEU A 224 859 761 687 -12 193 65 N ATOM 1627 CA LEU A 224 25.399 4.643 49.344 1.00 5.80 C ANISOU 1627 CA LEU A 224 842 691 670 2 197 30 C ATOM 1628 C LEU A 224 26.590 5.567 49.165 1.00 9.76 C ANISOU 1628 C LEU A 224 1364 1166 1180 10 189 7 C ATOM 1629 O LEU A 224 27.423 5.722 50.057 1.00 8.49 O ANISOU 1629 O LEU A 224 1205 1010 1009 7 177 9 O ATOM 1630 CB LEU A 224 24.122 5.469 49.234 1.00 10.09 C ANISOU 1630 CB LEU A 224 1382 1262 1191 21 209 9 C ATOM 1631 CG LEU A 224 22.844 4.655 49.412 1.00 11.09 C ANISOU 1631 CG LEU A 224 1480 1422 1310 11 218 37 C ATOM 1632 CD1 LEU A 224 21.612 5.548 49.234 1.00 14.59 C ANISOU 1632 CD1 LEU A 224 1914 1893 1734 36 230 14 C ATOM 1633 CD2 LEU A 224 22.845 3.486 48.421 1.00 6.43 C ANISOU 1633 CD2 LEU A 224 885 793 765 -10 208 55 C ATOM 0 H LEU A 224 25.166 4.351 51.284 1.00 6.07 H new ATOM 0 HA LEU A 224 25.452 3.975 48.643 1.00 5.80 H new ATOM 0 HB2 LEU A 224 24.143 6.172 49.902 1.00 10.09 H new ATOM 0 HB3 LEU A 224 24.101 5.902 48.366 1.00 10.09 H new ATOM 0 HG LEU A 224 22.809 4.293 50.311 1.00 11.09 H new ATOM 0 HD11 LEU A 224 20.808 5.018 49.350 1.00 14.59 H new ATOM 0 HD12 LEU A 224 21.628 6.258 49.895 1.00 14.59 H new ATOM 0 HD13 LEU A 224 21.618 5.935 48.344 1.00 14.59 H new ATOM 0 HD21 LEU A 224 22.033 2.967 48.532 1.00 6.43 H new ATOM 0 HD22 LEU A 224 22.887 3.830 47.515 1.00 6.43 H new ATOM 0 HD23 LEU A 224 23.615 2.921 48.588 1.00 6.43 H new ATOM 1634 N LEU A 225 26.633 6.197 47.996 1.00 7.39 N ANISOU 1634 N LEU A 225 1072 839 895 18 192 -8 N ATOM 1635 CA LEU A 225 27.649 7.199 47.673 1.00 7.45 C ANISOU 1635 CA LEU A 225 1091 821 918 20 182 -18 C ATOM 1636 C LEU A 225 27.049 8.600 47.813 1.00 7.64 C ANISOU 1636 C LEU A 225 1124 841 938 38 173 -42 C ATOM 1637 O LEU A 225 26.124 8.955 47.082 1.00 8.55 O ANISOU 1637 O LEU A 225 1238 957 1054 49 179 -45 O ATOM 1638 CB LEU A 225 28.141 6.976 46.236 1.00 6.38 C ANISOU 1638 CB LEU A 225 952 669 803 16 190 -8 C ATOM 1639 CG LEU A 225 29.091 8.006 45.604 1.00 7.70 C ANISOU 1639 CG LEU A 225 1120 818 987 13 183 2 C ATOM 1640 CD1 LEU A 225 30.310 8.197 46.503 1.00 5.56 C ANISOU 1640 CD1 LEU A 225 848 534 732 3 167 6 C ATOM 1641 CD2 LEU A 225 29.531 7.562 44.199 1.00 7.83 C ANISOU 1641 CD2 LEU A 225 1124 846 1005 11 199 14 C ATOM 0 H LEU A 225 26.070 6.055 47.362 1.00 7.39 H new ATOM 0 HA LEU A 225 28.398 7.116 48.283 1.00 7.45 H new ATOM 0 HB2 LEU A 225 28.585 6.114 46.209 1.00 6.38 H new ATOM 0 HB3 LEU A 225 27.359 6.911 45.666 1.00 6.38 H new ATOM 0 HG LEU A 225 28.619 8.849 45.517 1.00 7.70 H new ATOM 0 HD11 LEU A 225 30.909 8.847 46.103 1.00 5.56 H new ATOM 0 HD12 LEU A 225 30.024 8.514 47.374 1.00 5.56 H new ATOM 0 HD13 LEU A 225 30.773 7.351 46.604 1.00 5.56 H new ATOM 0 HD21 LEU A 225 30.128 8.227 43.822 1.00 7.83 H new ATOM 0 HD22 LEU A 225 29.991 6.710 44.258 1.00 7.83 H new ATOM 0 HD23 LEU A 225 28.751 7.469 43.630 1.00 7.83 H new ATOM 1642 N TYR A 226 27.577 9.388 48.749 1.00 5.87 N ANISOU 1642 N TYR A 226 907 610 713 44 153 -62 N ATOM 1643 CA TYR A 226 27.062 10.733 49.029 1.00 9.47 C ANISOU 1643 CA TYR A 226 1371 1052 1176 67 135 -99 C ATOM 1644 C TYR A 226 28.058 11.794 48.580 1.00 13.73 C ANISOU 1644 C TYR A 226 1917 1537 1763 58 105 -95 C ATOM 1645 O TYR A 226 29.188 11.838 49.071 1.00 7.33 O ANISOU 1645 O TYR A 226 1108 713 964 42 87 -93 O ATOM 1646 CB TYR A 226 26.768 10.897 50.527 1.00 6.49 C ANISOU 1646 CB TYR A 226 994 713 759 86 127 -139 C ATOM 1647 CG TYR A 226 25.647 10.009 51.011 1.00 7.31 C ANISOU 1647 CG TYR A 226 1081 881 816 93 156 -131 C ATOM 1648 CD1 TYR A 226 24.324 10.441 50.958 1.00 9.28 C ANISOU 1648 CD1 TYR A 226 1320 1154 1052 122 168 -154 C ATOM 1649 CD2 TYR A 226 25.905 8.729 51.490 1.00 10.72 C ANISOU 1649 CD2 TYR A 226 1502 1347 1224 71 168 -93 C ATOM 1650 CE1 TYR A 226 23.290 9.630 51.385 1.00 13.02 C ANISOU 1650 CE1 TYR A 226 1769 1691 1486 124 194 -137 C ATOM 1651 CE2 TYR A 226 24.880 7.907 51.914 1.00 11.10 C ANISOU 1651 CE2 TYR A 226 1528 1452 1238 70 190 -71 C ATOM 1652 CZ TYR A 226 23.573 8.364 51.863 1.00 13.06 C ANISOU 1652 CZ TYR A 226 1764 1730 1470 95 205 -92 C ATOM 1653 OH TYR A 226 22.539 7.554 52.289 1.00 9.59 O ANISOU 1653 OH TYR A 226 1293 1353 999 91 227 -60 O ATOM 0 H TYR A 226 28.244 9.159 49.241 1.00 5.87 H new ATOM 0 HA TYR A 226 26.237 10.848 48.532 1.00 9.47 H new ATOM 0 HB2 TYR A 226 27.572 10.699 51.032 1.00 6.49 H new ATOM 0 HB3 TYR A 226 26.541 11.823 50.707 1.00 6.49 H new ATOM 0 HD1 TYR A 226 24.133 11.290 50.630 1.00 9.28 H new ATOM 0 HD2 TYR A 226 26.782 8.422 51.525 1.00 10.72 H new ATOM 0 HE1 TYR A 226 22.411 9.933 51.351 1.00 13.02 H new ATOM 0 HE2 TYR A 226 25.065 7.053 52.232 1.00 11.10 H new ATOM 0 HH TYR A 226 21.827 7.784 51.907 1.00 9.59 H new ATOM 1654 N LEU A 227 27.643 12.646 47.647 1.00 6.86 N ANISOU 1654 N LEU A 227 1046 635 925 64 97 -86 N ATOM 1655 CA LEU A 227 28.571 13.585 47.003 1.00 8.41 C ANISOU 1655 CA LEU A 227 1240 780 1175 46 69 -59 C ATOM 1656 C LEU A 227 27.925 14.974 46.904 1.00 7.44 C ANISOU 1656 C LEU A 227 1120 609 1097 67 35 -78 C ATOM 1657 O LEU A 227 26.727 15.100 47.165 1.00 9.88 O ANISOU 1657 O LEU A 227 1431 933 1390 98 41 -113 O ATOM 1658 CB LEU A 227 28.940 13.054 45.619 1.00 9.21 C ANISOU 1658 CB LEU A 227 1327 896 1275 25 94 -1 C ATOM 1659 CG LEU A 227 29.819 11.800 45.590 1.00 8.39 C ANISOU 1659 CG LEU A 227 1217 825 1147 9 119 14 C ATOM 1660 CD1 LEU A 227 30.017 11.346 44.155 1.00 11.89 C ANISOU 1660 CD1 LEU A 227 1643 1293 1580 -1 144 53 C ATOM 1661 CD2 LEU A 227 31.161 12.109 46.253 1.00 10.13 C ANISOU 1661 CD2 LEU A 227 1431 1021 1394 -9 95 19 C ATOM 0 H LEU A 227 26.831 12.700 47.370 1.00 6.86 H new ATOM 0 HA LEU A 227 29.379 13.667 47.533 1.00 8.41 H new ATOM 0 HB2 LEU A 227 28.120 12.863 45.137 1.00 9.21 H new ATOM 0 HB3 LEU A 227 29.397 13.759 45.134 1.00 9.21 H new ATOM 0 HG LEU A 227 29.387 11.083 46.080 1.00 8.39 H new ATOM 0 HD11 LEU A 227 30.574 10.552 44.141 1.00 11.89 H new ATOM 0 HD12 LEU A 227 29.156 11.144 43.758 1.00 11.89 H new ATOM 0 HD13 LEU A 227 30.448 12.052 43.649 1.00 11.89 H new ATOM 0 HD21 LEU A 227 31.720 11.317 46.236 1.00 10.13 H new ATOM 0 HD22 LEU A 227 31.602 12.826 45.772 1.00 10.13 H new ATOM 0 HD23 LEU A 227 31.013 12.381 47.172 1.00 10.13 H new ATOM 1662 N PRO A 228 28.703 16.018 46.543 1.00 7.38 N ANISOU 1662 N PRO A 228 1107 542 1154 49 -5 -53 N ATOM 1663 CA PRO A 228 28.127 17.369 46.498 1.00 7.91 C ANISOU 1663 CA PRO A 228 1176 547 1283 70 -50 -71 C ATOM 1664 C PRO A 228 26.941 17.463 45.544 1.00 7.86 C ANISOU 1664 C PRO A 228 1162 551 1273 86 -33 -46 C ATOM 1665 O PRO A 228 26.875 16.719 44.568 1.00 7.65 O ANISOU 1665 O PRO A 228 1127 570 1211 69 3 5 O ATOM 1666 CB PRO A 228 29.287 18.235 45.991 1.00 8.71 C ANISOU 1666 CB PRO A 228 1263 585 1459 32 -93 -16 C ATOM 1667 CG PRO A 228 30.524 17.476 46.460 1.00 8.07 C ANISOU 1667 CG PRO A 228 1181 533 1352 4 -80 -9 C ATOM 1668 CD PRO A 228 30.165 16.036 46.307 1.00 8.11 C ANISOU 1668 CD PRO A 228 1189 619 1275 11 -18 -7 C ATOM 0 HA PRO A 228 27.781 17.643 47.362 1.00 7.91 H new ATOM 0 HB2 PRO A 228 29.269 18.328 45.026 1.00 8.71 H new ATOM 0 HB3 PRO A 228 29.254 19.130 46.363 1.00 8.71 H new ATOM 0 HG2 PRO A 228 31.301 17.704 45.926 1.00 8.07 H new ATOM 0 HG3 PRO A 228 30.740 17.689 47.381 1.00 8.07 H new ATOM 0 HD2 PRO A 228 30.388 15.704 45.423 1.00 8.11 H new ATOM 0 HD3 PRO A 228 30.637 15.480 46.947 1.00 8.11 H new ATOM 1669 N ALA A 229 26.038 18.392 45.821 1.00 9.64 N ANISOU 1669 N ALA A 229 1388 737 1537 123 -64 -87 N ATOM 1670 CA ALA A 229 24.770 18.455 45.091 1.00 8.29 C ANISOU 1670 CA ALA A 229 1208 582 1361 145 -50 -72 C ATOM 1671 C ALA A 229 24.985 18.708 43.601 1.00 11.88 C ANISOU 1671 C ALA A 229 1647 1026 1843 113 -56 23 C ATOM 1672 O ALA A 229 24.220 18.211 42.767 1.00 8.12 O ANISOU 1672 O ALA A 229 1162 595 1328 115 -28 53 O ATOM 1673 CB ALA A 229 23.887 19.525 45.684 1.00 8.90 C ANISOU 1673 CB ALA A 229 1283 609 1488 195 -89 -136 C ATOM 0 H ALA A 229 26.135 18.996 46.425 1.00 9.64 H new ATOM 0 HA ALA A 229 24.333 17.593 45.179 1.00 8.29 H new ATOM 0 HB1 ALA A 229 23.050 19.561 45.196 1.00 8.90 H new ATOM 0 HB2 ALA A 229 23.709 19.319 46.615 1.00 8.90 H new ATOM 0 HB3 ALA A 229 24.334 20.384 45.623 1.00 8.90 H new ATOM 1674 N THR A 230 26.017 19.488 43.281 1.00 10.21 N ANISOU 1674 N THR A 230 1429 759 1694 82 -94 72 N ATOM 1675 CA THR A 230 26.397 19.757 41.889 1.00 8.90 C ANISOU 1675 CA THR A 230 1239 596 1545 45 -99 177 C ATOM 1676 C THR A 230 26.704 18.470 41.124 1.00 8.35 C ANISOU 1676 C THR A 230 1164 621 1386 24 -38 212 C ATOM 1677 O THR A 230 26.229 18.254 40.002 1.00 10.27 O ANISOU 1677 O THR A 230 1394 911 1597 19 -21 263 O ATOM 1678 CB THR A 230 27.640 20.656 41.840 1.00 9.78 C ANISOU 1678 CB THR A 230 1337 642 1736 7 -146 229 C ATOM 1679 OG1 THR A 230 28.629 20.131 42.735 1.00 10.71 O ANISOU 1679 OG1 THR A 230 1465 769 1833 -5 -136 188 O ATOM 1680 CG2 THR A 230 27.288 22.068 42.284 1.00 10.61 C ANISOU 1680 CG2 THR A 230 1442 638 1951 27 -221 207 C ATOM 0 H THR A 230 26.517 19.877 43.862 1.00 10.21 H new ATOM 0 HA THR A 230 25.641 20.199 41.471 1.00 8.90 H new ATOM 0 HB THR A 230 27.977 20.679 40.931 1.00 9.78 H new ATOM 0 HG1 THR A 230 29.314 20.617 42.713 1.00 10.71 H new ATOM 0 HG21 THR A 230 28.081 22.626 42.249 1.00 10.61 H new ATOM 0 HG22 THR A 230 26.610 22.433 41.694 1.00 10.61 H new ATOM 0 HG23 THR A 230 26.949 22.047 43.192 1.00 10.61 H new ATOM 1681 N VAL A 231 27.509 17.614 41.745 1.00 7.96 N ANISOU 1681 N VAL A 231 1124 601 1299 14 -11 181 N ATOM 1682 CA VAL A 231 27.924 16.354 41.134 1.00 7.53 C ANISOU 1682 CA VAL A 231 1063 626 1172 -1 40 200 C ATOM 1683 C VAL A 231 26.724 15.434 40.974 1.00 9.37 C ANISOU 1683 C VAL A 231 1307 909 1347 24 72 163 C ATOM 1684 O VAL A 231 26.517 14.837 39.917 1.00 8.25 O ANISOU 1684 O VAL A 231 1154 822 1159 18 97 191 O ATOM 1685 CB VAL A 231 28.987 15.655 42.004 1.00 7.27 C ANISOU 1685 CB VAL A 231 1036 600 1125 -12 54 169 C ATOM 1686 CG1 VAL A 231 29.388 14.294 41.398 1.00 9.78 C ANISOU 1686 CG1 VAL A 231 1346 991 1379 -18 103 177 C ATOM 1687 CG2 VAL A 231 30.201 16.550 42.174 1.00 9.89 C ANISOU 1687 CG2 VAL A 231 1354 883 1521 -41 17 207 C ATOM 0 H VAL A 231 27.830 17.746 42.532 1.00 7.96 H new ATOM 0 HA VAL A 231 28.305 16.548 40.263 1.00 7.53 H new ATOM 0 HB VAL A 231 28.604 15.488 42.879 1.00 7.27 H new ATOM 0 HG11 VAL A 231 30.056 13.873 41.961 1.00 9.78 H new ATOM 0 HG12 VAL A 231 28.607 13.722 41.342 1.00 9.78 H new ATOM 0 HG13 VAL A 231 29.753 14.430 40.510 1.00 9.78 H new ATOM 0 HG21 VAL A 231 30.862 16.099 42.723 1.00 9.89 H new ATOM 0 HG22 VAL A 231 30.583 16.746 41.304 1.00 9.89 H new ATOM 0 HG23 VAL A 231 29.935 17.378 42.604 1.00 9.89 H new ATOM 1688 N VAL A 232 25.923 15.337 42.027 1.00 7.01 N ANISOU 1688 N VAL A 232 1023 594 1047 52 70 98 N ATOM 1689 CA VAL A 232 24.803 14.408 42.040 1.00 7.78 C ANISOU 1689 CA VAL A 232 1124 738 1096 70 98 67 C ATOM 1690 C VAL A 232 23.734 14.845 41.032 1.00 11.52 C ANISOU 1690 C VAL A 232 1585 1219 1572 81 89 96 C ATOM 1691 O VAL A 232 23.126 14.014 40.348 1.00 8.40 O ANISOU 1691 O VAL A 232 1185 874 1133 80 110 101 O ATOM 1692 CB VAL A 232 24.238 14.271 43.483 1.00 11.26 C ANISOU 1692 CB VAL A 232 1574 1173 1530 96 99 1 C ATOM 1693 CG1 VAL A 232 23.009 13.374 43.511 1.00 14.27 C ANISOU 1693 CG1 VAL A 232 1950 1603 1870 111 126 -18 C ATOM 1694 CG2 VAL A 232 25.328 13.706 44.410 1.00 6.62 C ANISOU 1694 CG2 VAL A 232 997 589 930 82 106 -19 C ATOM 0 H VAL A 232 26.011 15.801 42.745 1.00 7.01 H new ATOM 0 HA VAL A 232 25.109 13.529 41.765 1.00 7.78 H new ATOM 0 HB VAL A 232 23.971 15.150 43.793 1.00 11.26 H new ATOM 0 HG11 VAL A 232 22.678 13.306 44.420 1.00 14.27 H new ATOM 0 HG12 VAL A 232 22.319 13.752 42.944 1.00 14.27 H new ATOM 0 HG13 VAL A 232 23.245 12.491 43.187 1.00 14.27 H new ATOM 0 HG21 VAL A 232 24.976 13.621 45.310 1.00 6.62 H new ATOM 0 HG22 VAL A 232 25.607 12.834 44.088 1.00 6.62 H new ATOM 0 HG23 VAL A 232 26.090 14.306 44.417 1.00 6.62 H new ATOM 1695 N SER A 233 23.539 16.156 40.917 1.00 8.24 N ANISOU 1695 N SER A 233 1164 752 1216 90 51 117 N ATOM 1696 CA SER A 233 22.609 16.701 39.928 1.00 9.41 C ANISOU 1696 CA SER A 233 1297 903 1377 98 33 158 C ATOM 1697 C SER A 233 23.055 16.373 38.510 1.00 11.39 C ANISOU 1697 C SER A 233 1534 1205 1588 68 45 229 C ATOM 1698 O SER A 233 22.231 16.008 37.666 1.00 10.15 O ANISOU 1698 O SER A 233 1367 1096 1394 72 53 245 O ATOM 1699 CB SER A 233 22.457 18.214 40.100 1.00 9.55 C ANISOU 1699 CB SER A 233 1308 840 1482 113 -19 172 C ATOM 1700 OG SER A 233 21.500 18.738 39.194 1.00 8.65 O ANISOU 1700 OG SER A 233 1175 725 1386 124 -40 217 O ATOM 0 H SER A 233 23.934 16.747 41.401 1.00 8.24 H new ATOM 0 HA SER A 233 21.746 16.284 40.077 1.00 9.41 H new ATOM 0 HB2 SER A 233 22.188 18.413 41.010 1.00 9.55 H new ATOM 0 HB3 SER A 233 23.313 18.646 39.956 1.00 9.55 H new ATOM 0 HG SER A 233 20.894 19.131 39.623 1.00 8.65 H new ATOM 1701 N ALA A 234 24.355 16.500 38.252 1.00 7.99 N ANISOU 1701 N ALA A 234 1098 776 1163 39 47 270 N ATOM 1702 CA ALA A 234 24.902 16.167 36.937 1.00 8.00 C ANISOU 1702 CA ALA A 234 1080 846 1114 14 65 335 C ATOM 1703 C ALA A 234 24.716 14.682 36.619 1.00 10.15 C ANISOU 1703 C ALA A 234 1359 1193 1305 20 107 290 C ATOM 1704 O ALA A 234 24.500 14.312 35.458 1.00 9.67 O ANISOU 1704 O ALA A 234 1283 1201 1189 16 118 317 O ATOM 1705 CB ALA A 234 26.373 16.545 36.855 1.00 9.56 C ANISOU 1705 CB ALA A 234 1262 1036 1334 -17 63 385 C ATOM 0 H ALA A 234 24.936 16.776 38.822 1.00 7.99 H new ATOM 0 HA ALA A 234 24.412 16.680 36.275 1.00 8.00 H new ATOM 0 HB1 ALA A 234 26.717 16.317 35.977 1.00 9.56 H new ATOM 0 HB2 ALA A 234 26.471 17.499 37.003 1.00 9.56 H new ATOM 0 HB3 ALA A 234 26.870 16.061 37.533 1.00 9.56 H new ATOM 1706 N TYR A 235 24.801 13.831 37.638 1.00 7.12 N ANISOU 1706 N TYR A 235 993 796 915 29 126 221 N ATOM 1707 CA TYR A 235 24.585 12.399 37.402 1.00 9.96 C ANISOU 1707 CA TYR A 235 1358 1209 1218 35 156 178 C ATOM 1708 C TYR A 235 23.129 12.122 37.009 1.00 8.77 C ANISOU 1708 C TYR A 235 1206 1079 1048 49 149 161 C ATOM 1709 O TYR A 235 22.847 11.543 35.955 1.00 8.17 O ANISOU 1709 O TYR A 235 1121 1060 923 48 154 164 O ATOM 1710 CB TYR A 235 24.963 11.530 38.623 1.00 6.40 C ANISOU 1710 CB TYR A 235 922 736 774 38 171 122 C ATOM 1711 CG TYR A 235 24.643 10.069 38.349 1.00 6.21 C ANISOU 1711 CG TYR A 235 900 751 711 42 190 82 C ATOM 1712 CD1 TYR A 235 25.490 9.295 37.573 1.00 7.22 C ANISOU 1712 CD1 TYR A 235 1019 921 806 38 207 78 C ATOM 1713 CD2 TYR A 235 23.464 9.485 38.817 1.00 6.06 C ANISOU 1713 CD2 TYR A 235 884 726 691 51 187 49 C ATOM 1714 CE1 TYR A 235 25.192 7.969 37.280 1.00 6.27 C ANISOU 1714 CE1 TYR A 235 898 823 661 45 214 32 C ATOM 1715 CE2 TYR A 235 23.149 8.155 38.519 1.00 6.70 C ANISOU 1715 CE2 TYR A 235 964 831 751 50 193 16 C ATOM 1716 CZ TYR A 235 24.019 7.408 37.759 1.00 7.42 C ANISOU 1716 CZ TYR A 235 1050 950 817 48 203 3 C ATOM 1717 OH TYR A 235 23.711 6.092 37.454 1.00 9.59 O ANISOU 1717 OH TYR A 235 1323 1236 1083 50 200 -39 O ATOM 0 H TYR A 235 24.977 14.049 38.451 1.00 7.12 H new ATOM 0 HA TYR A 235 25.173 12.153 36.670 1.00 9.96 H new ATOM 0 HB2 TYR A 235 25.908 11.630 38.819 1.00 6.40 H new ATOM 0 HB3 TYR A 235 24.477 11.833 39.406 1.00 6.40 H new ATOM 0 HD1 TYR A 235 26.274 9.670 37.241 1.00 7.22 H new ATOM 0 HD2 TYR A 235 22.879 9.989 39.335 1.00 6.06 H new ATOM 0 HE1 TYR A 235 25.777 7.461 36.765 1.00 6.27 H new ATOM 0 HE2 TYR A 235 22.358 7.779 38.832 1.00 6.70 H new ATOM 0 HH TYR A 235 24.255 5.802 36.883 1.00 9.59 H new ATOM 1718 N TRP A 236 22.207 12.527 37.871 1.00 6.75 N ANISOU 1718 N TRP A 236 955 782 827 66 135 139 N ATOM 1719 CA TRP A 236 20.799 12.214 37.669 1.00 6.77 C ANISOU 1719 CA TRP A 236 951 805 818 79 129 122 C ATOM 1720 C TRP A 236 20.179 12.902 36.457 1.00 7.19 C ANISOU 1720 C TRP A 236 987 881 864 81 107 171 C ATOM 1721 O TRP A 236 19.164 12.448 35.951 1.00 7.86 O ANISOU 1721 O TRP A 236 1062 999 925 86 101 163 O ATOM 1722 CB TRP A 236 19.984 12.442 38.959 1.00 6.67 C ANISOU 1722 CB TRP A 236 939 758 839 101 127 85 C ATOM 1723 CG TRP A 236 20.358 11.401 39.973 1.00 6.33 C ANISOU 1723 CG TRP A 236 905 717 781 95 150 44 C ATOM 1724 CD1 TRP A 236 21.084 11.588 41.115 1.00 6.21 C ANISOU 1724 CD1 TRP A 236 902 676 783 98 155 24 C ATOM 1725 CD2 TRP A 236 20.090 9.994 39.891 1.00 9.61 C ANISOU 1725 CD2 TRP A 236 1318 1165 1169 83 165 24 C ATOM 1726 NE1 TRP A 236 21.267 10.382 41.762 1.00 9.61 N ANISOU 1726 NE1 TRP A 236 1335 1124 1193 87 174 2 N ATOM 1727 CE2 TRP A 236 20.671 9.390 41.027 1.00 11.49 C ANISOU 1727 CE2 TRP A 236 1563 1391 1410 78 179 3 C ATOM 1728 CE3 TRP A 236 19.412 9.188 38.967 1.00 7.21 C ANISOU 1728 CE3 TRP A 236 1003 893 842 75 160 22 C ATOM 1729 CZ2 TRP A 236 20.593 8.015 41.266 1.00 9.55 C ANISOU 1729 CZ2 TRP A 236 1314 1159 1155 64 187 -12 C ATOM 1730 CZ3 TRP A 236 19.336 7.829 39.204 1.00 6.10 C ANISOU 1730 CZ3 TRP A 236 861 762 696 62 166 -3 C ATOM 1731 CH2 TRP A 236 19.921 7.253 40.346 1.00 8.42 C ANISOU 1731 CH2 TRP A 236 1161 1036 1002 56 179 -15 C ATOM 0 H TRP A 236 22.375 12.984 38.580 1.00 6.75 H new ATOM 0 HA TRP A 236 20.762 11.268 37.459 1.00 6.77 H new ATOM 0 HB2 TRP A 236 20.158 13.329 39.311 1.00 6.67 H new ATOM 0 HB3 TRP A 236 19.034 12.395 38.767 1.00 6.67 H new ATOM 0 HD1 TRP A 236 21.408 12.407 41.413 1.00 6.21 H new ATOM 0 HE1 TRP A 236 21.686 10.271 42.505 1.00 9.61 H new ATOM 0 HE3 TRP A 236 19.021 9.560 38.210 1.00 7.21 H new ATOM 0 HZ2 TRP A 236 20.982 7.632 42.019 1.00 9.55 H new ATOM 0 HZ3 TRP A 236 18.889 7.285 38.597 1.00 6.10 H new ATOM 0 HH2 TRP A 236 19.850 6.335 40.480 1.00 8.42 H new ATOM 1732 N ALA A 237 20.810 13.973 35.980 1.00 7.64 N ANISOU 1732 N ALA A 237 1038 923 944 72 89 230 N ATOM 1733 CA ALA A 237 20.328 14.671 34.794 1.00 10.85 C ANISOU 1733 CA ALA A 237 1424 1355 1342 69 64 295 C ATOM 1734 C ALA A 237 20.429 13.788 33.554 1.00 8.17 C ANISOU 1734 C ALA A 237 1076 1108 919 56 78 304 C ATOM 1735 O ALA A 237 19.752 14.035 32.550 1.00 9.60 O ANISOU 1735 O ALA A 237 1242 1334 1074 56 58 344 O ATOM 1736 CB ALA A 237 21.104 15.950 34.582 1.00 10.45 C ANISOU 1736 CB ALA A 237 1363 1266 1340 55 39 368 C ATOM 0 H ALA A 237 21.519 14.311 36.330 1.00 7.64 H new ATOM 0 HA ALA A 237 19.393 14.888 34.937 1.00 10.85 H new ATOM 0 HB1 ALA A 237 20.772 16.402 33.791 1.00 10.45 H new ATOM 0 HB2 ALA A 237 20.994 16.527 35.354 1.00 10.45 H new ATOM 0 HB3 ALA A 237 22.044 15.743 34.465 1.00 10.45 H new ATOM 1737 N GLN A 238 21.269 12.762 33.625 1.00 7.90 N ANISOU 1737 N GLN A 238 1052 1103 846 49 109 263 N ATOM 1738 CA GLN A 238 21.418 11.814 32.515 1.00 8.10 C ANISOU 1738 CA GLN A 238 1070 1217 792 46 122 248 C ATOM 1739 C GLN A 238 20.433 10.650 32.557 1.00 13.88 C ANISOU 1739 C GLN A 238 1810 1961 1504 56 119 177 C ATOM 1740 O GLN A 238 20.482 9.758 31.711 1.00 16.31 O ANISOU 1740 O GLN A 238 2114 2332 1753 57 122 144 O ATOM 1741 CB GLN A 238 22.853 11.291 32.454 1.00 8.73 C ANISOU 1741 CB GLN A 238 1150 1324 844 39 154 236 C ATOM 1742 CG GLN A 238 23.866 12.400 32.189 1.00 12.52 C ANISOU 1742 CG GLN A 238 1611 1808 1338 21 155 320 C ATOM 1743 CD GLN A 238 23.546 13.194 30.937 1.00 11.65 C ANISOU 1743 CD GLN A 238 1474 1761 1191 12 136 403 C ATOM 1744 OE1 GLN A 238 23.334 12.628 29.862 1.00 11.34 O ANISOU 1744 OE1 GLN A 238 1423 1817 1070 17 142 396 O ATOM 1745 NE2 GLN A 238 23.501 14.515 31.068 1.00 11.04 N ANISOU 1745 NE2 GLN A 238 1386 1632 1175 -1 107 483 N ATOM 0 H GLN A 238 21.765 12.593 34.307 1.00 7.90 H new ATOM 0 HA GLN A 238 21.210 12.312 31.709 1.00 8.10 H new ATOM 0 HB2 GLN A 238 23.070 10.852 33.291 1.00 8.73 H new ATOM 0 HB3 GLN A 238 22.921 10.621 31.756 1.00 8.73 H new ATOM 0 HG2 GLN A 238 23.891 13.000 32.951 1.00 12.52 H new ATOM 0 HG3 GLN A 238 24.751 12.012 32.105 1.00 12.52 H new ATOM 0 HE21 GLN A 238 23.654 14.877 31.833 1.00 11.04 H new ATOM 0 HE22 GLN A 238 23.319 15.009 30.388 1.00 11.04 H new ATOM 1746 N VAL A 239 19.537 10.659 33.537 1.00 9.24 N ANISOU 1746 N VAL A 239 1228 1315 966 63 110 153 N ATOM 1747 CA VAL A 239 18.539 9.601 33.659 1.00 11.15 C ANISOU 1747 CA VAL A 239 1470 1565 1204 66 102 100 C ATOM 1748 C VAL A 239 17.149 10.187 33.445 1.00 12.48 C ANISOU 1748 C VAL A 239 1621 1734 1389 74 74 124 C ATOM 1749 O VAL A 239 16.686 10.992 34.252 1.00 8.33 O ANISOU 1749 O VAL A 239 1090 1162 914 86 71 140 O ATOM 1750 CB VAL A 239 18.581 8.947 35.047 1.00 9.74 C ANISOU 1750 CB VAL A 239 1302 1333 1066 66 119 58 C ATOM 1751 CG1 VAL A 239 17.495 7.872 35.157 1.00 13.84 C ANISOU 1751 CG1 VAL A 239 1811 1857 1590 62 105 19 C ATOM 1752 CG2 VAL A 239 19.959 8.358 35.320 1.00 10.58 C ANISOU 1752 CG2 VAL A 239 1422 1433 1165 60 142 36 C ATOM 0 H VAL A 239 19.489 11.268 34.142 1.00 9.24 H new ATOM 0 HA VAL A 239 18.737 8.928 32.989 1.00 11.15 H new ATOM 0 HB VAL A 239 18.408 9.627 35.717 1.00 9.74 H new ATOM 0 HG11 VAL A 239 17.530 7.465 36.037 1.00 13.84 H new ATOM 0 HG12 VAL A 239 16.624 8.277 35.023 1.00 13.84 H new ATOM 0 HG13 VAL A 239 17.643 7.192 34.481 1.00 13.84 H new ATOM 0 HG21 VAL A 239 19.968 7.949 36.200 1.00 10.58 H new ATOM 0 HG22 VAL A 239 20.163 7.687 34.650 1.00 10.58 H new ATOM 0 HG23 VAL A 239 20.625 9.062 35.284 1.00 10.58 H new ATOM 1753 N ASER A 240 16.493 9.783 32.358 0.54 9.97 N ANISOU 1753 N ASER A 240 1290 1471 1027 71 52 122 N ATOM 1754 N BSER A 240 16.491 9.793 32.361 0.46 12.02 N ANISOU 1754 N BSER A 240 1550 1731 1287 71 52 122 N ATOM 1755 CA ASER A 240 15.159 10.285 32.028 0.54 13.33 C ANISOU 1755 CA ASER A 240 1693 1906 1466 77 20 149 C ATOM 1756 CA BSER A 240 15.187 10.357 32.027 0.46 8.42 C ANISOU 1756 CA BSER A 240 1071 1283 845 78 20 152 C ATOM 1757 C ASER A 240 14.182 10.043 33.166 0.54 8.16 C ANISOU 1757 C ASER A 240 1028 1205 866 85 22 122 C ATOM 1758 C BSER A 240 14.155 10.054 33.106 0.46 10.56 C ANISOU 1758 C BSER A 240 1332 1512 1169 85 20 123 C ATOM 1759 O ASER A 240 14.019 8.909 33.615 0.54 12.54 O ANISOU 1759 O ASER A 240 1585 1755 1426 74 29 75 O ATOM 1760 O BSER A 240 13.931 8.896 33.457 0.46 8.88 O ANISOU 1760 O BSER A 240 1119 1297 957 74 25 76 O ATOM 1761 CB ASER A 240 14.623 9.611 30.760 0.54 10.51 C ANISOU 1761 CB ASER A 240 1324 1620 1048 70 -8 135 C ATOM 1762 CB BSER A 240 14.706 9.830 30.675 0.46 24.93 C ANISOU 1762 CB BSER A 240 3150 3449 2872 71 -8 147 C ATOM 1763 OG ASER A 240 15.407 9.932 29.626 0.54 15.53 O ANISOU 1763 OG ASER A 240 1961 2323 1618 67 -8 167 O ATOM 1764 OG BSER A 240 13.530 10.501 30.268 0.46 18.08 O ANISOU 1764 OG BSER A 240 2258 2594 2018 77 -42 189 O ATOM 0 H ASER A 240 16.806 9.214 31.794 0.54 12.02 H new ATOM 0 H BSER A 240 16.780 9.202 31.807 0.46 12.02 H new ATOM 0 HA ASER A 240 15.241 11.240 31.879 0.54 8.42 H new ATOM 0 HA BSER A 240 15.289 11.320 31.972 0.46 8.42 H new ATOM 0 HB2ASER A 240 14.612 8.649 30.884 0.54 24.93 H new ATOM 0 HB2BSER A 240 15.401 9.952 30.009 0.46 24.93 H new ATOM 0 HB3ASER A 240 13.706 9.888 30.609 0.54 24.93 H new ATOM 0 HB3BSER A 240 14.536 8.877 30.736 0.46 24.93 H new ATOM 0 HG ASER A 240 15.091 9.548 28.949 0.54 18.08 H new ATOM 0 HG BSER A 240 13.280 10.202 29.524 0.46 18.08 H new ATOM 1765 N GLY A 241 13.535 11.107 33.631 1.00 11.48 N ANISOU 1765 N GLY A 241 1433 1595 1333 104 14 154 N ATOM 1766 CA GLY A 241 12.528 10.976 34.667 1.00 10.59 C ANISOU 1766 CA GLY A 241 1300 1459 1265 118 19 132 C ATOM 1767 C GLY A 241 13.032 10.989 36.103 1.00 10.41 C ANISOU 1767 C GLY A 241 1290 1395 1272 127 52 104 C ATOM 1768 O GLY A 241 12.238 10.932 37.045 1.00 12.70 O ANISOU 1768 O GLY A 241 1557 1679 1588 141 62 87 O ATOM 0 H AGLY A 241 13.667 11.912 33.358 0.54 11.48 H new ATOM 0 H BGLY A 241 13.690 11.919 33.393 0.46 11.48 H new ATOM 0 HA2 GLY A 241 11.888 11.697 34.562 1.00 10.59 H new ATOM 0 HA3 GLY A 241 12.047 10.147 34.521 1.00 10.59 H new ATOM 1769 N ALA A 242 14.345 11.074 36.287 1.00 8.43 N ANISOU 1769 N ALA A 242 1068 1123 1011 119 69 100 N ATOM 1770 CA ALA A 242 14.907 11.088 37.635 1.00 7.22 C ANISOU 1770 CA ALA A 242 928 937 880 127 95 73 C ATOM 1771 C ALA A 242 14.610 12.427 38.286 1.00 10.46 C ANISOU 1771 C ALA A 242 1330 1310 1334 160 88 78 C ATOM 1772 O ALA A 242 14.532 13.445 37.608 1.00 13.99 O ANISOU 1772 O ALA A 242 1773 1741 1803 171 63 113 O ATOM 1773 CB ALA A 242 16.425 10.841 37.595 1.00 7.53 C ANISOU 1773 CB ALA A 242 997 964 900 109 110 70 C ATOM 0 H ALA A 242 14.924 11.124 35.653 1.00 8.43 H new ATOM 0 HA ALA A 242 14.501 10.377 38.155 1.00 7.22 H new ATOM 0 HB1 ALA A 242 16.779 10.854 38.498 1.00 7.53 H new ATOM 0 HB2 ALA A 242 16.602 9.977 37.191 1.00 7.53 H new ATOM 0 HB3 ALA A 242 16.852 11.536 37.071 1.00 7.53 H new ATOM 1774 N LYS A 243 14.448 12.424 39.603 1.00 9.13 N ANISOU 1774 N LYS A 243 1157 1132 1180 178 108 43 N ATOM 1775 CA LYS A 243 14.149 13.654 40.317 1.00 9.31 C ANISOU 1775 CA LYS A 243 1170 1121 1245 220 99 27 C ATOM 1776 C LYS A 243 14.471 13.490 41.783 1.00 9.86 C ANISOU 1776 C LYS A 243 1246 1193 1308 233 125 -20 C ATOM 1777 O LYS A 243 14.536 12.375 42.296 1.00 11.09 O ANISOU 1777 O LYS A 243 1400 1384 1429 212 150 -28 O ATOM 1778 CB LYS A 243 12.673 14.013 40.170 1.00 21.98 C ANISOU 1778 CB LYS A 243 2735 2745 2871 250 87 30 C ATOM 1779 CG LYS A 243 11.745 12.995 40.801 1.00 19.20 C ANISOU 1779 CG LYS A 243 2352 2449 2494 247 113 12 C ATOM 0 H LYS A 243 14.507 11.724 40.099 1.00 9.13 H new ATOM 0 HA LYS A 243 14.690 14.365 39.939 1.00 9.31 H new ATOM 0 HB2 LYS A 243 12.515 14.880 40.575 1.00 21.98 H new ATOM 0 HB3 LYS A 243 12.459 14.097 39.228 1.00 21.98 H new ATOM 1780 N SER A 244 14.657 14.610 42.468 1.00 11.75 N ANISOU 1780 N SER A 244 1488 1394 1582 269 113 -50 N ATOM 1781 CA SER A 244 14.864 14.547 43.907 1.00 8.91 C ANISOU 1781 CA SER A 244 1131 1050 1206 289 134 -103 C ATOM 1782 C SER A 244 13.529 14.723 44.611 1.00 11.75 C ANISOU 1782 C SER A 244 1447 1454 1562 335 148 -136 C ATOM 1783 O SER A 244 12.807 15.685 44.357 1.00 15.55 O ANISOU 1783 O SER A 244 1909 1913 2088 375 126 -147 O ATOM 1784 CB SER A 244 15.861 15.612 44.369 1.00 16.78 C ANISOU 1784 CB SER A 244 2153 1983 2238 305 109 -132 C ATOM 1785 OG SER A 244 16.168 15.425 45.739 1.00 19.62 O ANISOU 1785 OG SER A 244 2516 2370 2567 321 128 -185 O ATOM 0 H SER A 244 14.667 15.400 42.128 1.00 11.75 H new ATOM 0 HA SER A 244 15.238 13.681 44.133 1.00 8.91 H new ATOM 0 HB2 SER A 244 16.671 15.560 43.838 1.00 16.78 H new ATOM 0 HB3 SER A 244 15.488 16.497 44.231 1.00 16.78 H new ATOM 0 HG SER A 244 16.942 15.713 45.895 1.00 19.62 H new ATOM 1786 N SER A 245 13.208 13.778 45.487 1.00 13.91 N ANISOU 1786 N SER A 245 1702 1796 1788 328 184 -146 N ATOM 1787 CA SER A 245 11.952 13.768 46.212 1.00 25.12 C ANISOU 1787 CA SER A 245 3071 3283 3191 366 207 -168 C ATOM 1788 C SER A 245 12.189 13.973 47.705 1.00 19.88 C ANISOU 1788 C SER A 245 2401 2662 2489 399 230 -225 C ATOM 1789 O SER A 245 12.869 13.180 48.354 1.00 16.98 O ANISOU 1789 O SER A 245 2049 2326 2079 368 249 -216 O ATOM 1790 CB SER A 245 11.233 12.434 45.983 1.00 16.60 C ANISOU 1790 CB SER A 245 1960 2264 2084 325 229 -117 C ATOM 1791 OG SER A 245 10.162 12.275 46.899 1.00 20.24 O ANISOU 1791 OG SER A 245 2365 2807 2519 354 259 -129 O ATOM 0 H SER A 245 13.723 13.116 45.677 1.00 13.91 H new ATOM 0 HA SER A 245 11.401 14.496 45.883 1.00 25.12 H new ATOM 0 HB2 SER A 245 10.895 12.396 45.074 1.00 16.60 H new ATOM 0 HB3 SER A 245 11.861 11.702 46.083 1.00 16.60 H new ATOM 0 HG SER A 245 9.504 11.932 46.505 1.00 20.24 H new ATOM 1792 N SER A 246 11.623 15.041 48.250 1.00 27.56 N ANISOU 1792 N SER A 246 3351 3640 3479 467 224 -287 N ATOM 1793 CA SER A 246 11.722 15.289 49.682 1.00 24.13 C ANISOU 1793 CA SER A 246 2905 3265 2997 509 245 -355 C ATOM 1794 C SER A 246 10.896 14.263 50.462 1.00 19.86 C ANISOU 1794 C SER A 246 2311 2849 2384 502 297 -330 C ATOM 1795 O SER A 246 11.280 13.845 51.552 1.00 27.46 O ANISOU 1795 O SER A 246 3270 3879 3282 500 321 -344 O ATOM 1796 CB SER A 246 11.259 16.710 50.014 1.00 39.18 C ANISOU 1796 CB SER A 246 4797 5144 4946 592 222 -441 C ATOM 1797 OG SER A 246 9.998 16.983 49.428 1.00 47.04 O ANISOU 1797 OG SER A 246 5745 6151 5977 623 222 -427 O ATOM 0 H SER A 246 11.179 15.632 47.811 1.00 27.56 H new ATOM 0 HA SER A 246 12.652 15.199 49.944 1.00 24.13 H new ATOM 0 HB2 SER A 246 11.203 16.819 50.976 1.00 39.18 H new ATOM 0 HB3 SER A 246 11.914 17.350 49.694 1.00 39.18 H new ATOM 0 HG SER A 246 9.762 17.765 49.623 1.00 47.04 H new ATOM 1798 N SER A 247 9.768 13.855 49.890 1.00 22.37 N ANISOU 1798 N SER A 247 2583 3200 2715 495 309 -283 N ATOM 1799 CA SER A 247 8.898 12.888 50.551 1.00 24.09 C ANISOU 1799 CA SER A 247 2739 3536 2877 482 354 -244 C ATOM 1800 C SER A 247 9.573 11.523 50.635 1.00 18.37 C ANISOU 1800 C SER A 247 2034 2824 2122 404 363 -173 C ATOM 1801 O SER A 247 9.443 10.820 51.634 1.00 21.01 O ANISOU 1801 O SER A 247 2334 3251 2397 391 396 -149 O ATOM 1802 CB SER A 247 7.540 12.793 49.849 1.00 23.22 C ANISOU 1802 CB SER A 247 2573 3450 2800 489 356 -207 C ATOM 1803 OG SER A 247 7.678 12.369 48.505 1.00 26.20 O ANISOU 1803 OG SER A 247 2978 3750 3227 435 323 -151 O ATOM 0 H SER A 247 9.489 14.124 49.123 1.00 22.37 H new ATOM 0 HA SER A 247 8.737 13.199 51.456 1.00 24.09 H new ATOM 0 HB2 SER A 247 6.970 12.172 50.328 1.00 23.22 H new ATOM 0 HB3 SER A 247 7.101 13.658 49.873 1.00 23.22 H new ATOM 0 HG SER A 247 8.482 12.435 48.271 1.00 26.20 H new ATOM 1804 N VAL A 248 10.318 11.159 49.598 1.00 12.43 N ANISOU 1804 N VAL A 248 1332 1980 1412 354 332 -140 N ATOM 1805 CA VAL A 248 11.050 9.893 49.626 1.00 17.65 C ANISOU 1805 CA VAL A 248 2013 2637 2057 286 333 -84 C ATOM 1806 C VAL A 248 12.383 10.011 50.373 1.00 31.22 C ANISOU 1806 C VAL A 248 3777 4339 3747 284 332 -112 C ATOM 1807 O VAL A 248 12.793 9.091 51.082 1.00 23.92 O ANISOU 1807 O VAL A 248 2848 3456 2786 250 346 -76 O ATOM 1808 CB VAL A 248 11.262 9.326 48.211 1.00 18.64 C ANISOU 1808 CB VAL A 248 2166 2686 2232 238 303 -44 C ATOM 1809 CG1 VAL A 248 12.085 8.045 48.267 1.00 30.35 C ANISOU 1809 CG1 VAL A 248 3669 4153 3709 177 299 0 C ATOM 1810 CG2 VAL A 248 9.909 9.068 47.544 1.00 19.45 C ANISOU 1810 CG2 VAL A 248 2218 2813 2359 233 299 -11 C ATOM 0 H VAL A 248 10.414 11.620 48.878 1.00 12.43 H new ATOM 0 HA VAL A 248 10.497 9.267 50.118 1.00 17.65 H new ATOM 0 HB VAL A 248 11.751 9.976 47.683 1.00 18.64 H new ATOM 0 HG11 VAL A 248 12.210 7.701 47.369 1.00 30.35 H new ATOM 0 HG12 VAL A 248 12.950 8.233 48.664 1.00 30.35 H new ATOM 0 HG13 VAL A 248 11.620 7.385 48.804 1.00 30.35 H new ATOM 0 HG21 VAL A 248 10.050 8.711 46.653 1.00 19.45 H new ATOM 0 HG22 VAL A 248 9.404 8.429 48.072 1.00 19.45 H new ATOM 0 HG23 VAL A 248 9.414 9.900 47.484 1.00 19.45 H new ATOM 1811 N GLY A 249 13.050 11.149 50.231 1.00 19.21 N ANISOU 1811 N GLY A 249 2297 2756 2247 319 309 -172 N ATOM 1812 CA GLY A 249 14.282 11.384 50.961 1.00 21.93 C ANISOU 1812 CA GLY A 249 2680 3083 2568 320 302 -205 C ATOM 1813 C GLY A 249 15.517 11.293 50.087 1.00 25.16 C ANISOU 1813 C GLY A 249 3143 3397 3018 280 272 -187 C ATOM 1814 O GLY A 249 16.602 10.939 50.555 1.00 18.51 O ANISOU 1814 O GLY A 249 2327 2546 2159 256 268 -183 O ATOM 0 H GLY A 249 12.805 11.795 49.718 1.00 19.21 H new ATOM 0 HA2 GLY A 249 14.246 12.262 51.371 1.00 21.93 H new ATOM 0 HA3 GLY A 249 14.353 10.738 51.681 1.00 21.93 H new ATOM 1815 N GLY A 250 15.357 11.619 48.811 1.00 11.82 N ANISOU 1815 N GLY A 250 1466 1645 1381 274 252 -172 N ATOM 1816 CA GLY A 250 16.484 11.609 47.898 1.00 9.65 C ANISOU 1816 CA GLY A 250 1234 1295 1138 241 228 -152 C ATOM 1817 C GLY A 250 16.068 11.463 46.451 1.00 9.07 C ANISOU 1817 C GLY A 250 1158 1190 1096 222 215 -115 C ATOM 1818 O GLY A 250 14.885 11.543 46.121 1.00 11.61 O ANISOU 1818 O GLY A 250 1449 1537 1425 238 218 -108 O ATOM 0 H GLY A 250 14.607 11.848 48.458 1.00 11.82 H new ATOM 0 HA2 GLY A 250 16.987 12.431 48.004 1.00 9.65 H new ATOM 0 HA3 GLY A 250 17.079 10.880 48.134 1.00 9.65 H new ATOM 1819 N TYR A 251 17.058 11.251 45.590 1.00 8.31 N ANISOU 1819 N TYR A 251 1093 1050 1014 191 201 -91 N ATOM 1820 CA TYR A 251 16.817 11.009 44.175 1.00 6.70 C ANISOU 1820 CA TYR A 251 890 831 825 171 189 -58 C ATOM 1821 C TYR A 251 16.177 9.659 43.936 1.00 8.94 C ANISOU 1821 C TYR A 251 1154 1152 1092 143 200 -36 C ATOM 1822 O TYR A 251 16.606 8.649 44.500 1.00 7.46 O ANISOU 1822 O TYR A 251 968 977 891 119 212 -30 O ATOM 1823 CB TYR A 251 18.121 11.106 43.389 1.00 8.56 C ANISOU 1823 CB TYR A 251 1157 1027 1070 148 177 -42 C ATOM 1824 CG TYR A 251 18.535 12.531 43.090 1.00 8.18 C ANISOU 1824 CG TYR A 251 1120 931 1056 166 152 -41 C ATOM 1825 CD1 TYR A 251 19.315 13.256 43.989 1.00 11.81 C ANISOU 1825 CD1 TYR A 251 1595 1359 1534 179 143 -68 C ATOM 1826 CD2 TYR A 251 18.143 13.154 41.908 1.00 8.72 C ANISOU 1826 CD2 TYR A 251 1182 987 1146 169 131 -9 C ATOM 1827 CE1 TYR A 251 19.696 14.561 43.713 1.00 13.12 C ANISOU 1827 CE1 TYR A 251 1767 1468 1748 191 110 -64 C ATOM 1828 CE2 TYR A 251 18.522 14.458 41.626 1.00 13.64 C ANISOU 1828 CE2 TYR A 251 1810 1559 1814 180 102 6 C ATOM 1829 CZ TYR A 251 19.299 15.151 42.532 1.00 15.43 C ANISOU 1829 CZ TYR A 251 2051 1743 2070 191 90 -22 C ATOM 1830 OH TYR A 251 19.680 16.444 42.248 1.00 13.18 O ANISOU 1830 OH TYR A 251 1769 1395 1846 198 50 -4 O ATOM 0 H TYR A 251 17.889 11.244 45.812 1.00 8.31 H new ATOM 0 HA TYR A 251 16.201 11.692 43.867 1.00 6.70 H new ATOM 0 HB2 TYR A 251 18.827 10.669 43.891 1.00 8.56 H new ATOM 0 HB3 TYR A 251 18.025 10.622 42.554 1.00 8.56 H new ATOM 0 HD1 TYR A 251 19.584 12.859 44.786 1.00 11.81 H new ATOM 0 HD2 TYR A 251 17.618 12.688 41.298 1.00 8.72 H new ATOM 0 HE1 TYR A 251 20.216 15.035 44.321 1.00 13.12 H new ATOM 0 HE2 TYR A 251 18.255 14.862 40.832 1.00 13.64 H new ATOM 0 HH TYR A 251 19.854 16.511 41.429 1.00 13.18 H new ATOM 1831 N VAL A 252 15.132 9.668 43.109 1.00 8.33 N ANISOU 1831 N VAL A 252 1054 1087 1024 146 189 -22 N ATOM 1832 CA VAL A 252 14.458 8.455 42.661 1.00 7.29 C ANISOU 1832 CA VAL A 252 901 980 888 116 186 -3 C ATOM 1833 C VAL A 252 14.433 8.486 41.147 1.00 10.05 C ANISOU 1833 C VAL A 252 1261 1317 1241 106 161 8 C ATOM 1834 O VAL A 252 14.605 9.538 40.537 1.00 8.00 O ANISOU 1834 O VAL A 252 1013 1041 987 124 149 13 O ATOM 1835 CB VAL A 252 13.010 8.371 43.197 1.00 8.05 C ANISOU 1835 CB VAL A 252 948 1122 988 129 194 6 C ATOM 1836 CG1 VAL A 252 13.020 8.195 44.712 1.00 13.92 C ANISOU 1836 CG1 VAL A 252 1674 1902 1712 137 223 1 C ATOM 1837 CG2 VAL A 252 12.221 9.623 42.804 1.00 12.42 C ANISOU 1837 CG2 VAL A 252 1486 1676 1558 169 184 -1 C ATOM 0 H VAL A 252 14.792 10.390 42.789 1.00 8.33 H new ATOM 0 HA VAL A 252 14.935 7.680 42.997 1.00 7.29 H new ATOM 0 HB VAL A 252 12.575 7.601 42.800 1.00 8.05 H new ATOM 0 HG11 VAL A 252 12.108 8.143 45.038 1.00 13.92 H new ATOM 0 HG12 VAL A 252 13.491 7.378 44.940 1.00 13.92 H new ATOM 0 HG13 VAL A 252 13.467 8.951 45.123 1.00 13.92 H new ATOM 0 HG21 VAL A 252 11.316 9.556 43.147 1.00 12.42 H new ATOM 0 HG22 VAL A 252 12.651 10.408 43.179 1.00 12.42 H new ATOM 0 HG23 VAL A 252 12.196 9.699 41.837 1.00 12.42 H new ATOM 1838 N PHE A 253 14.211 7.335 40.527 1.00 8.11 N ANISOU 1838 N PHE A 253 1009 1080 993 77 148 12 N ATOM 1839 CA PHE A 253 14.227 7.274 39.076 1.00 7.53 C ANISOU 1839 CA PHE A 253 945 1009 907 69 123 12 C ATOM 1840 C PHE A 253 13.258 6.177 38.628 1.00 8.59 C ANISOU 1840 C PHE A 253 1052 1160 1050 45 99 10 C ATOM 1841 O PHE A 253 12.913 5.289 39.416 1.00 8.69 O ANISOU 1841 O PHE A 253 1045 1171 1084 26 103 14 O ATOM 1842 CB PHE A 253 15.657 7.020 38.571 1.00 8.21 C ANISOU 1842 CB PHE A 253 1065 1080 974 59 126 -1 C ATOM 1843 CG PHE A 253 16.199 5.667 38.942 1.00 7.80 C ANISOU 1843 CG PHE A 253 1019 1014 930 37 129 -21 C ATOM 1844 CD1 PHE A 253 16.827 5.465 40.165 1.00 10.69 C ANISOU 1844 CD1 PHE A 253 1392 1362 1309 34 149 -19 C ATOM 1845 CD2 PHE A 253 16.078 4.595 38.067 1.00 11.92 C ANISOU 1845 CD2 PHE A 253 1539 1540 1451 21 104 -44 C ATOM 1846 CE1 PHE A 253 17.324 4.217 40.514 1.00 7.40 C ANISOU 1846 CE1 PHE A 253 977 926 910 13 146 -28 C ATOM 1847 CE2 PHE A 253 16.571 3.345 38.408 1.00 9.62 C ANISOU 1847 CE2 PHE A 253 1250 1221 1183 3 98 -64 C ATOM 1848 CZ PHE A 253 17.193 3.153 39.633 1.00 7.73 C ANISOU 1848 CZ PHE A 253 1016 960 963 -2 119 -51 C ATOM 0 H PHE A 253 14.051 6.588 40.922 1.00 8.11 H new ATOM 0 HA PHE A 253 13.939 8.119 38.696 1.00 7.53 H new ATOM 0 HB2 PHE A 253 15.671 7.111 37.605 1.00 8.21 H new ATOM 0 HB3 PHE A 253 16.244 7.704 38.929 1.00 8.21 H new ATOM 0 HD1 PHE A 253 16.916 6.176 40.758 1.00 10.69 H new ATOM 0 HD2 PHE A 253 15.662 4.717 37.244 1.00 11.92 H new ATOM 0 HE1 PHE A 253 17.743 4.094 41.335 1.00 7.40 H new ATOM 0 HE2 PHE A 253 16.485 2.634 37.815 1.00 9.62 H new ATOM 0 HZ PHE A 253 17.521 2.314 39.863 1.00 7.73 H new ATOM 1849 N PRO A 254 12.789 6.249 37.375 1.00 9.03 N ANISOU 1849 N PRO A 254 1104 1236 1093 43 70 10 N ATOM 1850 CA PRO A 254 11.856 5.214 36.922 1.00 7.69 C ANISOU 1850 CA PRO A 254 908 1078 937 19 38 1 C ATOM 1851 C PRO A 254 12.559 3.873 36.899 1.00 10.20 C ANISOU 1851 C PRO A 254 1241 1370 1265 -6 28 -31 C ATOM 1852 O PRO A 254 13.666 3.772 36.379 1.00 11.36 O ANISOU 1852 O PRO A 254 1419 1510 1385 0 32 -57 O ATOM 1853 CB PRO A 254 11.507 5.648 35.489 1.00 12.62 C ANISOU 1853 CB PRO A 254 1533 1733 1530 26 6 1 C ATOM 1854 CG PRO A 254 11.918 7.086 35.395 1.00 12.22 C ANISOU 1854 CG PRO A 254 1495 1685 1463 54 24 29 C ATOM 1855 CD PRO A 254 13.092 7.228 36.316 1.00 8.89 C ANISOU 1855 CD PRO A 254 1100 1231 1045 60 60 21 C ATOM 0 HA PRO A 254 11.076 5.122 37.491 1.00 7.69 H new ATOM 0 HB2 PRO A 254 11.978 5.107 34.836 1.00 12.62 H new ATOM 0 HB3 PRO A 254 10.559 5.544 35.314 1.00 12.62 H new ATOM 0 HG2 PRO A 254 12.157 7.322 34.485 1.00 12.22 H new ATOM 0 HG3 PRO A 254 11.194 7.674 35.659 1.00 12.22 H new ATOM 0 HD2 PRO A 254 13.929 7.027 35.868 1.00 8.89 H new ATOM 0 HD3 PRO A 254 13.168 8.129 36.668 1.00 8.89 H new ATOM 1856 N CYS A 255 11.929 2.853 37.469 1.00 8.27 N ANISOU 1856 N CYS A 255 969 1110 1063 -33 13 -25 N ATOM 1857 CA CYS A 255 12.546 1.535 37.525 1.00 9.98 C ANISOU 1857 CA CYS A 255 1196 1288 1309 -57 -6 -52 C ATOM 1858 C CYS A 255 12.863 0.972 36.125 1.00 15.53 C ANISOU 1858 C CYS A 255 1918 1990 1995 -56 -46 -110 C ATOM 1859 O CYS A 255 13.701 0.080 35.991 1.00 14.16 O ANISOU 1859 O CYS A 255 1761 1782 1835 -60 -58 -151 O ATOM 1860 CB CYS A 255 11.679 0.562 38.336 1.00 13.23 C ANISOU 1860 CB CYS A 255 1565 1681 1781 -93 -25 -20 C ATOM 1861 SG CYS A 255 11.600 0.943 40.129 1.00 11.53 S ANISOU 1861 SG CYS A 255 1326 1484 1571 -93 27 43 S ATOM 0 H CYS A 255 11.149 2.902 37.827 1.00 8.27 H new ATOM 0 HA CYS A 255 13.397 1.637 37.979 1.00 9.98 H new ATOM 0 HB2 CYS A 255 10.779 0.568 37.974 1.00 13.23 H new ATOM 0 HB3 CYS A 255 12.025 -0.337 38.221 1.00 13.23 H new ATOM 1862 N SER A 256 12.215 1.504 35.090 1.00 8.75 N ANISOU 1862 N SER A 256 1052 1171 1100 -47 -66 -117 N ATOM 1863 CA SER A 256 12.471 1.058 33.715 1.00 12.64 C ANISOU 1863 CA SER A 256 1561 1685 1557 -42 -103 -176 C ATOM 1864 C SER A 256 13.764 1.633 33.116 1.00 23.23 C ANISOU 1864 C SER A 256 2936 3056 2833 -13 -73 -196 C ATOM 1865 O SER A 256 14.141 1.291 31.996 1.00 14.18 O ANISOU 1865 O SER A 256 1801 1944 1642 -1 -94 -248 O ATOM 1866 CB SER A 256 11.295 1.408 32.795 1.00 9.91 C ANISOU 1866 CB SER A 256 1191 1384 1190 -45 -141 -170 C ATOM 1867 OG SER A 256 11.072 2.816 32.766 1.00 12.50 O ANISOU 1867 OG SER A 256 1516 1750 1482 -24 -113 -117 O ATOM 0 H SER A 256 11.623 2.124 35.160 1.00 8.75 H new ATOM 0 HA SER A 256 12.577 0.095 33.771 1.00 12.64 H new ATOM 0 HB2 SER A 256 11.475 1.087 31.898 1.00 9.91 H new ATOM 0 HB3 SER A 256 10.494 0.956 33.102 1.00 9.91 H new ATOM 0 HG SER A 256 10.659 3.049 33.459 1.00 12.50 H new ATOM 1868 N ALA A 257 14.438 2.512 33.847 1.00 14.83 N ANISOU 1868 N ALA A 257 1885 1987 1762 0 -25 -155 N ATOM 1869 CA ALA A 257 15.654 3.139 33.324 1.00 13.36 C ANISOU 1869 CA ALA A 257 1723 1831 1522 22 3 -158 C ATOM 1870 C ALA A 257 16.853 2.204 33.245 1.00 23.32 C ANISOU 1870 C ALA A 257 3001 3076 2783 28 9 -211 C ATOM 1871 O ALA A 257 16.958 1.240 33.998 1.00 16.21 O ANISOU 1871 O ALA A 257 2099 2120 1938 16 1 -232 O ATOM 1872 CB ALA A 257 16.023 4.357 34.171 1.00 18.48 C ANISOU 1872 CB ALA A 257 2378 2467 2177 30 42 -101 C ATOM 0 H ALA A 257 14.215 2.760 34.640 1.00 14.83 H new ATOM 0 HA ALA A 257 15.443 3.399 32.414 1.00 13.36 H new ATOM 0 HB1 ALA A 257 16.829 4.765 33.817 1.00 18.48 H new ATOM 0 HB2 ALA A 257 15.297 5.000 34.146 1.00 18.48 H new ATOM 0 HB3 ALA A 257 16.177 4.079 35.088 1.00 18.48 H new ATOM 1873 N THR A 258 17.764 2.507 32.325 1.00 13.69 N ANISOU 1873 N THR A 258 1792 1908 1501 48 23 -229 N ATOM 1874 CA THR A 258 19.091 1.910 32.342 1.00 16.09 C ANISOU 1874 CA THR A 258 2107 2205 1801 62 43 -270 C ATOM 1875 C THR A 258 20.046 2.972 32.858 1.00 18.12 C ANISOU 1875 C THR A 258 2371 2465 2047 67 88 -212 C ATOM 1876 O THR A 258 20.245 3.983 32.203 1.00 18.56 O ANISOU 1876 O THR A 258 2424 2576 2052 73 102 -172 O ATOM 1877 CB THR A 258 19.554 1.505 30.936 1.00 21.37 C ANISOU 1877 CB THR A 258 2773 2946 2400 87 32 -332 C ATOM 1878 OG1 THR A 258 18.643 0.550 30.384 1.00 21.62 O ANISOU 1878 OG1 THR A 258 2799 2973 2442 83 -21 -396 O ATOM 1879 CG2 THR A 258 20.947 0.896 31.000 1.00 27.09 C ANISOU 1879 CG2 THR A 258 3503 3666 3125 109 55 -378 C ATOM 0 H THR A 258 17.630 3.060 31.680 1.00 13.69 H new ATOM 0 HA THR A 258 19.073 1.114 32.896 1.00 16.09 H new ATOM 0 HB THR A 258 19.577 2.295 30.374 1.00 21.37 H new ATOM 0 HG1 THR A 258 17.908 0.923 30.225 1.00 21.62 H new ATOM 0 HG21 THR A 258 21.231 0.643 30.108 1.00 27.09 H new ATOM 0 HG22 THR A 258 21.568 1.546 31.365 1.00 27.09 H new ATOM 0 HG23 THR A 258 20.931 0.110 31.568 1.00 27.09 H new ATOM 1880 N LEU A 259 20.637 2.748 34.026 1.00 12.42 N ANISOU 1880 N LEU A 259 1657 1686 1377 61 106 -203 N ATOM 1881 CA LEU A 259 21.486 3.767 34.647 1.00 10.42 C ANISOU 1881 CA LEU A 259 1409 1426 1122 62 140 -151 C ATOM 1882 C LEU A 259 22.869 3.860 34.003 1.00 11.76 C ANISOU 1882 C LEU A 259 1577 1638 1253 78 165 -159 C ATOM 1883 O LEU A 259 23.470 2.850 33.644 1.00 8.63 O ANISOU 1883 O LEU A 259 1177 1250 852 92 163 -217 O ATOM 1884 CB LEU A 259 21.643 3.491 36.145 1.00 6.73 C ANISOU 1884 CB LEU A 259 947 894 715 50 148 -139 C ATOM 1885 CG LEU A 259 20.374 3.526 36.990 1.00 10.62 C ANISOU 1885 CG LEU A 259 1434 1359 1243 36 135 -117 C ATOM 1886 CD1 LEU A 259 20.713 3.173 38.439 1.00 12.78 C ANISOU 1886 CD1 LEU A 259 1709 1588 1558 26 145 -103 C ATOM 1887 CD2 LEU A 259 19.735 4.912 36.906 1.00 10.98 C ANISOU 1887 CD2 LEU A 259 1476 1425 1269 41 140 -75 C ATOM 0 H LEU A 259 20.562 2.019 34.475 1.00 12.42 H new ATOM 0 HA LEU A 259 21.040 4.617 34.508 1.00 10.42 H new ATOM 0 HB2 LEU A 259 22.051 2.617 36.250 1.00 6.73 H new ATOM 0 HB3 LEU A 259 22.265 4.140 36.508 1.00 6.73 H new ATOM 0 HG LEU A 259 19.740 2.874 36.652 1.00 10.62 H new ATOM 0 HD11 LEU A 259 19.905 3.196 38.975 1.00 12.78 H new ATOM 0 HD12 LEU A 259 21.099 2.284 38.474 1.00 12.78 H new ATOM 0 HD13 LEU A 259 21.350 3.815 38.788 1.00 12.78 H new ATOM 0 HD21 LEU A 259 18.928 4.930 37.445 1.00 10.98 H new ATOM 0 HD22 LEU A 259 20.359 5.577 37.237 1.00 10.98 H new ATOM 0 HD23 LEU A 259 19.511 5.110 35.983 1.00 10.98 H new ATOM 1888 N PRO A 260 23.374 5.086 33.854 1.00 7.46 N ANISOU 1888 N PRO A 260 1030 1121 685 75 185 -101 N ATOM 1889 CA PRO A 260 24.743 5.288 33.373 1.00 7.51 C ANISOU 1889 CA PRO A 260 1024 1170 658 85 212 -90 C ATOM 1890 C PRO A 260 25.741 4.962 34.484 1.00 8.05 C ANISOU 1890 C PRO A 260 1097 1184 777 83 227 -96 C ATOM 1891 O PRO A 260 25.389 4.991 35.668 1.00 9.49 O ANISOU 1891 O PRO A 260 1294 1302 1012 71 219 -86 O ATOM 1892 CB PRO A 260 24.774 6.788 33.048 1.00 13.48 C ANISOU 1892 CB PRO A 260 1772 1954 1397 73 217 -8 C ATOM 1893 CG PRO A 260 23.765 7.388 33.966 1.00 15.06 C ANISOU 1893 CG PRO A 260 1986 2088 1648 61 198 16 C ATOM 1894 CD PRO A 260 22.678 6.359 34.121 1.00 8.02 C ANISOU 1894 CD PRO A 260 1101 1178 767 65 179 -39 C ATOM 0 HA PRO A 260 24.977 4.727 32.617 1.00 7.51 H new ATOM 0 HB2 PRO A 260 25.656 7.164 33.198 1.00 13.48 H new ATOM 0 HB3 PRO A 260 24.549 6.953 32.119 1.00 13.48 H new ATOM 0 HG2 PRO A 260 24.162 7.605 34.824 1.00 15.06 H new ATOM 0 HG3 PRO A 260 23.411 8.214 33.600 1.00 15.06 H new ATOM 0 HD2 PRO A 260 22.293 6.376 35.011 1.00 8.02 H new ATOM 0 HD3 PRO A 260 21.952 6.508 33.495 1.00 8.02 H new ATOM 1895 N SER A 261 26.971 4.639 34.103 1.00 7.43 N ANISOU 1895 N SER A 261 1003 1140 679 97 249 -111 N ATOM 1896 CA SER A 261 28.020 4.424 35.087 1.00 8.44 C ANISOU 1896 CA SER A 261 1131 1223 854 95 261 -107 C ATOM 1897 C SER A 261 28.432 5.753 35.724 1.00 10.24 C ANISOU 1897 C SER A 261 1359 1431 1102 73 268 -34 C ATOM 1898 O SER A 261 28.045 6.832 35.258 1.00 8.85 O ANISOU 1898 O SER A 261 1180 1277 906 62 265 16 O ATOM 1899 CB SER A 261 29.241 3.772 34.440 1.00 8.42 C ANISOU 1899 CB SER A 261 1102 1270 826 121 283 -142 C ATOM 1900 OG SER A 261 29.800 4.612 33.439 1.00 9.42 O ANISOU 1900 OG SER A 261 1204 1484 892 123 307 -99 O ATOM 0 H SER A 261 27.217 4.540 33.285 1.00 7.43 H new ATOM 0 HA SER A 261 27.672 3.833 35.773 1.00 8.44 H new ATOM 0 HB2 SER A 261 29.908 3.584 35.118 1.00 8.42 H new ATOM 0 HB3 SER A 261 28.988 2.922 34.048 1.00 8.42 H new ATOM 0 HG SER A 261 30.320 4.164 32.955 1.00 9.42 H new ATOM 1901 N PHE A 262 29.220 5.659 36.790 1.00 7.82 N ANISOU 1901 N PHE A 262 1055 1076 840 66 271 -28 N ATOM 1902 CA PHE A 262 29.796 6.833 37.432 1.00 8.91 C ANISOU 1902 CA PHE A 262 1192 1190 1005 46 270 29 C ATOM 1903 C PHE A 262 31.272 6.560 37.691 1.00 8.00 C ANISOU 1903 C PHE A 262 1055 1079 905 48 285 34 C ATOM 1904 O PHE A 262 31.630 5.546 38.286 1.00 7.66 O ANISOU 1904 O PHE A 262 1014 1011 887 58 284 -4 O ATOM 1905 CB PHE A 262 29.076 7.161 38.743 1.00 8.33 C ANISOU 1905 CB PHE A 262 1143 1051 971 36 249 30 C ATOM 1906 CG PHE A 262 29.580 8.421 39.409 1.00 6.11 C ANISOU 1906 CG PHE A 262 863 738 721 19 238 73 C ATOM 1907 CD1 PHE A 262 29.023 9.659 39.092 1.00 8.33 C ANISOU 1907 CD1 PHE A 262 1145 1011 1007 12 223 110 C ATOM 1908 CD2 PHE A 262 30.601 8.367 40.350 1.00 6.25 C ANISOU 1908 CD2 PHE A 262 879 727 769 11 235 75 C ATOM 1909 CE1 PHE A 262 29.480 10.822 39.697 1.00 9.04 C ANISOU 1909 CE1 PHE A 262 1237 1059 1140 -2 202 142 C ATOM 1910 CE2 PHE A 262 31.070 9.532 40.960 1.00 8.15 C ANISOU 1910 CE2 PHE A 262 1120 933 1043 -5 215 106 C ATOM 1911 CZ PHE A 262 30.501 10.761 40.630 1.00 9.63 C ANISOU 1911 CZ PHE A 262 1310 1106 1243 -11 197 136 C ATOM 0 H PHE A 262 29.435 4.913 37.161 1.00 7.82 H new ATOM 0 HA PHE A 262 29.693 7.601 36.849 1.00 8.91 H new ATOM 0 HB2 PHE A 262 28.127 7.254 38.568 1.00 8.33 H new ATOM 0 HB3 PHE A 262 29.180 6.416 39.356 1.00 8.33 H new ATOM 0 HD1 PHE A 262 28.336 9.706 38.467 1.00 8.33 H new ATOM 0 HD2 PHE A 262 30.976 7.546 40.576 1.00 6.25 H new ATOM 0 HE1 PHE A 262 29.100 11.642 39.476 1.00 9.04 H new ATOM 0 HE2 PHE A 262 31.759 9.488 41.583 1.00 8.15 H new ATOM 0 HZ PHE A 262 30.807 11.540 41.036 1.00 9.63 H new ATOM 1912 N THR A 263 32.134 7.461 37.244 1.00 6.99 N ANISOU 1912 N THR A 263 903 984 771 36 295 89 N ATOM 1913 CA THR A 263 33.565 7.261 37.429 1.00 9.56 C ANISOU 1913 CA THR A 263 1199 1322 1113 36 310 101 C ATOM 1914 C THR A 263 34.082 8.238 38.475 1.00 10.71 C ANISOU 1914 C THR A 263 1347 1410 1311 7 288 146 C ATOM 1915 O THR A 263 33.715 9.409 38.447 1.00 8.54 O ANISOU 1915 O THR A 263 1079 1117 1050 -14 270 191 O ATOM 1916 CB THR A 263 34.323 7.496 36.103 1.00 8.49 C ANISOU 1916 CB THR A 263 1017 1280 927 42 340 135 C ATOM 1917 OG1 THR A 263 33.864 6.567 35.111 1.00 10.65 O ANISOU 1917 OG1 THR A 263 1287 1615 1144 75 357 77 O ATOM 1918 CG2 THR A 263 35.823 7.318 36.296 1.00 13.34 C ANISOU 1918 CG2 THR A 263 1592 1914 1562 43 358 151 C ATOM 0 H THR A 263 31.917 8.186 36.836 1.00 6.99 H new ATOM 0 HA THR A 263 33.714 6.348 37.721 1.00 9.56 H new ATOM 0 HB THR A 263 34.150 8.405 35.812 1.00 8.49 H new ATOM 0 HG1 THR A 263 34.246 6.726 34.380 1.00 10.65 H new ATOM 0 HG21 THR A 263 36.278 7.470 35.453 1.00 13.34 H new ATOM 0 HG22 THR A 263 36.142 7.954 36.955 1.00 13.34 H new ATOM 0 HG23 THR A 263 36.005 6.416 36.603 1.00 13.34 H new ATOM 1919 N PHE A 264 34.924 7.774 39.401 1.00 8.89 N ANISOU 1919 N PHE A 264 1113 1149 1117 6 283 133 N ATOM 1920 CA PHE A 264 35.599 8.713 40.300 1.00 8.03 C ANISOU 1920 CA PHE A 264 1001 995 1056 -22 258 172 C ATOM 1921 C PHE A 264 37.113 8.636 40.177 1.00 11.14 C ANISOU 1921 C PHE A 264 1350 1418 1467 -29 270 203 C ATOM 1922 O PHE A 264 37.668 7.582 39.857 1.00 10.12 O ANISOU 1922 O PHE A 264 1198 1325 1323 -3 295 175 O ATOM 1923 CB PHE A 264 35.113 8.609 41.762 1.00 8.68 C ANISOU 1923 CB PHE A 264 1120 1013 1166 -25 228 139 C ATOM 1924 CG PHE A 264 35.406 7.296 42.443 1.00 9.00 C ANISOU 1924 CG PHE A 264 1162 1044 1211 -10 232 102 C ATOM 1925 CD1 PHE A 264 36.570 7.120 43.183 1.00 7.50 C ANISOU 1925 CD1 PHE A 264 955 842 1054 -18 220 113 C ATOM 1926 CD2 PHE A 264 34.480 6.258 42.413 1.00 8.06 C ANISOU 1926 CD2 PHE A 264 1062 925 1075 9 238 60 C ATOM 1927 CE1 PHE A 264 36.815 5.918 43.840 1.00 6.71 C ANISOU 1927 CE1 PHE A 264 854 729 967 -4 217 88 C ATOM 1928 CE2 PHE A 264 34.716 5.062 43.072 1.00 8.41 C ANISOU 1928 CE2 PHE A 264 1105 951 1139 19 233 37 C ATOM 1929 CZ PHE A 264 35.883 4.891 43.783 1.00 8.33 C ANISOU 1929 CZ PHE A 264 1076 928 1159 14 222 52 C ATOM 0 H PHE A 264 35.114 6.944 39.524 1.00 8.89 H new ATOM 0 HA PHE A 264 35.342 9.601 40.005 1.00 8.03 H new ATOM 0 HB2 PHE A 264 35.523 9.322 42.276 1.00 8.68 H new ATOM 0 HB3 PHE A 264 34.155 8.760 41.781 1.00 8.68 H new ATOM 0 HD1 PHE A 264 37.190 7.811 43.239 1.00 7.50 H new ATOM 0 HD2 PHE A 264 33.686 6.369 41.941 1.00 8.06 H new ATOM 0 HE1 PHE A 264 37.604 5.803 44.318 1.00 6.71 H new ATOM 0 HE2 PHE A 264 34.088 4.377 43.034 1.00 8.41 H new ATOM 0 HZ PHE A 264 36.046 4.089 44.224 1.00 8.33 H new ATOM 1930 N GLY A 265 37.776 9.769 40.392 1.00 7.81 N ANISOU 1930 N GLY A 265 908 976 1082 -61 249 261 N ATOM 1931 CA GLY A 265 39.222 9.820 40.259 1.00 10.30 C ANISOU 1931 CA GLY A 265 1172 1323 1420 -73 258 303 C ATOM 1932 C GLY A 265 39.979 9.475 41.530 1.00 7.80 C ANISOU 1932 C GLY A 265 857 959 1148 -79 232 284 C ATOM 1933 O GLY A 265 39.590 9.869 42.631 1.00 7.54 O ANISOU 1933 O GLY A 265 861 862 1142 -92 193 266 O ATOM 0 H GLY A 265 37.407 10.513 40.614 1.00 7.81 H new ATOM 0 HA2 GLY A 265 39.494 9.208 39.557 1.00 10.30 H new ATOM 0 HA3 GLY A 265 39.479 10.711 39.974 1.00 10.30 H new ATOM 1934 N VAL A 266 41.069 8.724 41.369 1.00 8.47 N ANISOU 1934 N VAL A 266 898 1083 1238 -65 254 287 N ATOM 1935 CA VAL A 266 42.029 8.503 42.441 1.00 10.42 C ANISOU 1935 CA VAL A 266 1131 1296 1531 -75 228 288 C ATOM 1936 C VAL A 266 43.373 8.857 41.818 1.00 8.74 C ANISOU 1936 C VAL A 266 846 1136 1338 -89 244 350 C ATOM 1937 O VAL A 266 43.921 8.083 41.033 1.00 10.69 O ANISOU 1937 O VAL A 266 1049 1451 1560 -58 288 343 O ATOM 1938 CB VAL A 266 42.036 7.041 42.929 1.00 9.84 C ANISOU 1938 CB VAL A 266 1067 1216 1454 -38 236 230 C ATOM 1939 CG1 VAL A 266 42.988 6.872 44.118 1.00 7.97 C ANISOU 1939 CG1 VAL A 266 817 945 1266 -51 201 241 C ATOM 1940 CG2 VAL A 266 40.634 6.582 43.302 1.00 10.49 C ANISOU 1940 CG2 VAL A 266 1209 1264 1512 -24 228 180 C ATOM 0 H VAL A 266 41.270 8.329 40.632 1.00 8.47 H new ATOM 0 HA VAL A 266 41.814 9.035 43.223 1.00 10.42 H new ATOM 0 HB VAL A 266 42.352 6.485 42.199 1.00 9.84 H new ATOM 0 HG11 VAL A 266 42.979 5.947 44.411 1.00 7.97 H new ATOM 0 HG12 VAL A 266 43.887 7.117 43.850 1.00 7.97 H new ATOM 0 HG13 VAL A 266 42.701 7.444 44.847 1.00 7.97 H new ATOM 0 HG21 VAL A 266 40.665 5.661 43.605 1.00 10.49 H new ATOM 0 HG22 VAL A 266 40.287 7.144 44.012 1.00 10.49 H new ATOM 0 HG23 VAL A 266 40.055 6.647 42.527 1.00 10.49 H new ATOM 1941 N GLY A 267 43.886 10.045 42.131 1.00 9.02 N ANISOU 1941 N GLY A 267 865 1143 1420 -135 208 410 N ATOM 1942 CA GLY A 267 45.067 10.533 41.440 1.00 9.85 C ANISOU 1942 CA GLY A 267 893 1303 1546 -159 223 488 C ATOM 1943 C GLY A 267 44.769 10.524 39.953 1.00 15.01 C ANISOU 1943 C GLY A 267 1519 2047 2139 -143 277 515 C ATOM 1944 O GLY A 267 43.704 10.966 39.535 1.00 13.03 O ANISOU 1944 O GLY A 267 1306 1786 1860 -146 275 513 O ATOM 0 H GLY A 267 43.569 10.573 42.731 1.00 9.02 H new ATOM 0 HA2 GLY A 267 45.289 11.429 41.737 1.00 9.85 H new ATOM 0 HA3 GLY A 267 45.833 9.971 41.637 1.00 9.85 H new ATOM 1945 N ASER A 268 45.697 10.003 39.155 0.62 10.95 N ANISOU 1945 N ASER A 268 934 1627 1598 -122 326 537 N ATOM 1946 N BSER A 268 45.691 9.997 39.154 0.38 12.23 N ANISOU 1946 N BSER A 268 1096 1789 1760 -122 326 537 N ATOM 1947 CA ASER A 268 45.496 9.915 37.711 0.62 13.65 C ANISOU 1947 CA ASER A 268 1241 2079 1865 -101 381 558 C ATOM 1948 CA BSER A 268 45.479 9.922 37.712 0.38 11.40 C ANISOU 1948 CA BSER A 268 958 1794 1581 -101 381 558 C ATOM 1949 C ASER A 268 44.657 8.696 37.308 0.62 12.72 C ANISOU 1949 C ASER A 268 1163 1987 1683 -39 414 455 C ATOM 1950 C BSER A 268 44.704 8.669 37.300 0.38 13.84 C ANISOU 1950 C BSER A 268 1302 2132 1825 -38 416 455 C ATOM 1951 O ASER A 268 44.301 8.534 36.139 0.62 13.31 O ANISOU 1951 O ASER A 268 1221 2153 1684 -15 455 451 O ATOM 1952 O BSER A 268 44.438 8.455 36.117 0.38 14.82 O ANISOU 1952 O BSER A 268 1405 2352 1876 -11 459 450 O ATOM 1953 CB ASER A 268 46.845 9.888 36.992 0.62 24.23 C ANISOU 1953 CB ASER A 268 2482 3527 3196 -100 423 620 C ATOM 1954 CB BSER A 268 46.816 9.989 36.975 0.38 19.89 C ANISOU 1954 CB BSER A 268 1934 2975 2647 -104 420 626 C ATOM 1955 OG ASER A 268 47.659 8.837 37.481 0.62 19.25 O ANISOU 1955 OG ASER A 268 1827 2902 2587 -61 436 565 O ATOM 1956 OG BSER A 268 47.491 11.196 37.274 0.38 22.92 O ANISOU 1956 OG BSER A 268 2298 3317 3094 -163 369 711 O ATOM 0 H ASER A 268 46.451 9.694 39.430 0.62 12.23 H new ATOM 0 H BSER A 268 46.443 9.679 39.425 0.38 12.23 H new ATOM 0 HA ASER A 268 45.000 10.704 37.443 0.62 11.40 H new ATOM 0 HA BSER A 268 44.937 10.686 37.462 0.38 11.40 H new ATOM 0 HB2ASER A 268 46.705 9.777 36.039 0.62 19.89 H new ATOM 0 HB2BSER A 268 47.368 9.233 37.228 0.38 19.89 H new ATOM 0 HB3ASER A 268 47.298 10.737 37.115 0.62 19.89 H new ATOM 0 HB3BSER A 268 46.667 9.924 36.019 0.38 19.89 H new ATOM 0 HG ASER A 268 48.102 9.109 38.141 0.62 22.92 H new ATOM 0 HG BSER A 268 48.223 11.217 36.863 0.38 22.92 H new ATOM 1957 N ALA A 269 44.338 7.849 38.281 1.00 12.72 N ANISOU 1957 N ALA A 269 1212 1910 1711 -16 391 377 N ATOM 1958 CA ALA A 269 43.595 6.619 38.016 1.00 11.38 C ANISOU 1958 CA ALA A 269 1076 1746 1501 38 411 282 C ATOM 1959 C ALA A 269 42.095 6.868 38.098 1.00 12.54 C ANISOU 1959 C ALA A 269 1295 1844 1627 29 389 256 C ATOM 1960 O ALA A 269 41.650 7.911 38.576 1.00 9.70 O ANISOU 1960 O ALA A 269 964 1431 1291 -13 356 300 O ATOM 1961 CB ALA A 269 44.006 5.511 38.983 1.00 17.04 C ANISOU 1961 CB ALA A 269 1801 2407 2267 66 393 224 C ATOM 0 H AALA A 269 44.544 7.968 39.107 0.62 12.72 H new ATOM 0 H BALA A 269 44.511 7.987 39.112 0.38 12.72 H new ATOM 0 HA ALA A 269 43.810 6.329 37.116 1.00 11.38 H new ATOM 0 HB1 ALA A 269 43.500 4.707 38.788 1.00 17.04 H new ATOM 0 HB2 ALA A 269 44.954 5.329 38.883 1.00 17.04 H new ATOM 0 HB3 ALA A 269 43.826 5.793 39.894 1.00 17.04 H new ATOM 1962 N ARG A 270 41.321 5.899 37.627 1.00 9.13 N ANISOU 1962 N ARG A 270 887 1427 1154 71 405 181 N ATOM 1963 CA ARG A 270 39.879 6.061 37.511 1.00 9.00 C ANISOU 1963 CA ARG A 270 929 1381 1112 65 390 158 C ATOM 1964 C ARG A 270 39.206 4.782 37.976 1.00 13.94 C ANISOU 1964 C ARG A 270 1592 1954 1749 97 377 72 C ATOM 1965 O ARG A 270 39.591 3.685 37.561 1.00 17.19 O ANISOU 1965 O ARG A 270 1981 2394 2155 141 394 14 O ATOM 1966 CB ARG A 270 39.490 6.328 36.054 1.00 13.77 C ANISOU 1966 CB ARG A 270 1513 2082 1639 77 422 169 C ATOM 1967 CG ARG A 270 40.166 7.532 35.407 1.00 14.15 C ANISOU 1967 CG ARG A 270 1511 2197 1670 44 437 270 C ATOM 1968 CD ARG A 270 39.688 8.848 36.000 1.00 15.60 C ANISOU 1968 CD ARG A 270 1722 2305 1898 -10 396 339 C ATOM 1969 NE ARG A 270 40.366 9.988 35.382 1.00 14.91 N ANISOU 1969 NE ARG A 270 1582 2271 1813 -47 401 447 N ATOM 1970 CZ ARG A 270 41.294 10.740 35.968 1.00 13.61 C ANISOU 1970 CZ ARG A 270 1388 2070 1714 -87 379 514 C ATOM 1971 NH1 ARG A 270 41.684 10.495 37.215 1.00 12.85 N ANISOU 1971 NH1 ARG A 270 1312 1890 1680 -92 350 479 N ATOM 1972 NH2 ARG A 270 41.826 11.759 35.300 1.00 16.09 N ANISOU 1972 NH2 ARG A 270 1648 2434 2032 -126 381 623 N ATOM 0 H ARG A 270 41.615 5.134 37.367 1.00 9.13 H new ATOM 0 HA ARG A 270 39.596 6.812 38.056 1.00 9.00 H new ATOM 0 HB2 ARG A 270 39.698 5.539 35.530 1.00 13.77 H new ATOM 0 HB3 ARG A 270 38.529 6.453 36.009 1.00 13.77 H new ATOM 0 HG2 ARG A 270 41.127 7.459 35.518 1.00 14.15 H new ATOM 0 HG3 ARG A 270 39.989 7.526 34.453 1.00 14.15 H new ATOM 0 HD2 ARG A 270 38.730 8.932 35.875 1.00 15.60 H new ATOM 0 HD3 ARG A 270 39.851 8.852 36.956 1.00 15.60 H new ATOM 0 HE ARG A 270 40.147 10.188 34.575 1.00 14.91 H new ATOM 0 HH11 ARG A 270 41.336 9.843 37.654 1.00 12.85 H new ATOM 0 HH12 ARG A 270 42.285 10.989 37.582 1.00 12.85 H new ATOM 0 HH21 ARG A 270 41.570 11.927 34.496 1.00 16.09 H new ATOM 0 HH22 ARG A 270 42.426 12.250 35.671 1.00 16.09 H new ATOM 1973 N ILE A 271 38.208 4.918 38.843 1.00 10.09 N ANISOU 1973 N ILE A 271 1157 1391 1284 77 344 65 N ATOM 1974 CA ILE A 271 37.401 3.774 39.247 1.00 7.51 C ANISOU 1974 CA ILE A 271 864 1018 971 98 328 0 C ATOM 1975 C ILE A 271 35.996 3.937 38.663 1.00 7.34 C ANISOU 1975 C ILE A 271 875 1004 909 97 325 -18 C ATOM 1976 O ILE A 271 35.352 4.969 38.857 1.00 8.50 O ANISOU 1976 O ILE A 271 1044 1138 1048 69 315 21 O ATOM 1977 CB ILE A 271 37.307 3.649 40.785 1.00 8.33 C ANISOU 1977 CB ILE A 271 995 1043 1128 77 293 11 C ATOM 1978 CG1 ILE A 271 38.699 3.425 41.400 1.00 7.30 C ANISOU 1978 CG1 ILE A 271 831 904 1040 78 288 30 C ATOM 1979 CG2 ILE A 271 36.337 2.519 41.166 1.00 12.93 C ANISOU 1979 CG2 ILE A 271 1606 1581 1725 91 274 -37 C ATOM 1980 CD1 ILE A 271 39.347 2.084 41.027 1.00 10.47 C ANISOU 1980 CD1 ILE A 271 1200 1315 1463 122 299 -18 C ATOM 0 H ILE A 271 37.983 5.663 39.208 1.00 10.09 H new ATOM 0 HA ILE A 271 37.824 2.968 38.913 1.00 7.51 H new ATOM 0 HB ILE A 271 36.959 4.480 41.146 1.00 8.33 H new ATOM 0 HG12 ILE A 271 39.285 4.145 41.118 1.00 7.30 H new ATOM 0 HG13 ILE A 271 38.627 3.480 42.366 1.00 7.30 H new ATOM 0 HG21 ILE A 271 36.285 2.449 42.132 1.00 12.93 H new ATOM 0 HG22 ILE A 271 35.457 2.714 40.809 1.00 12.93 H new ATOM 0 HG23 ILE A 271 36.656 1.680 40.798 1.00 12.93 H new ATOM 0 HD11 ILE A 271 40.217 2.016 41.450 1.00 10.47 H new ATOM 0 HD12 ILE A 271 38.783 1.356 41.331 1.00 10.47 H new ATOM 0 HD13 ILE A 271 39.451 2.031 40.064 1.00 10.47 H new ATOM 1981 N VAL A 272 35.528 2.915 37.949 1.00 7.56 N ANISOU 1981 N VAL A 272 904 1051 917 130 330 -82 N ATOM 1982 CA VAL A 272 34.217 2.985 37.310 1.00 9.18 C ANISOU 1982 CA VAL A 272 1134 1269 1084 129 324 -103 C ATOM 1983 C VAL A 272 33.181 2.172 38.072 1.00 7.15 C ANISOU 1983 C VAL A 272 912 941 866 125 292 -137 C ATOM 1984 O VAL A 272 33.334 0.958 38.251 1.00 9.29 O ANISOU 1984 O VAL A 272 1177 1178 1174 146 278 -186 O ATOM 1985 CB VAL A 272 34.286 2.464 35.868 1.00 8.09 C ANISOU 1985 CB VAL A 272 973 1213 889 167 345 -154 C ATOM 1986 CG1 VAL A 272 32.915 2.575 35.191 1.00 12.03 C ANISOU 1986 CG1 VAL A 272 1496 1729 1345 163 332 -173 C ATOM 1987 CG2 VAL A 272 35.351 3.221 35.080 1.00 11.63 C ANISOU 1987 CG2 VAL A 272 1376 1754 1291 170 382 -109 C ATOM 0 H VAL A 272 35.951 2.177 37.823 1.00 7.56 H new ATOM 0 HA VAL A 272 33.952 3.918 37.311 1.00 9.18 H new ATOM 0 HB VAL A 272 34.535 1.527 35.887 1.00 8.09 H new ATOM 0 HG11 VAL A 272 32.975 2.242 34.282 1.00 12.03 H new ATOM 0 HG12 VAL A 272 32.266 2.049 35.685 1.00 12.03 H new ATOM 0 HG13 VAL A 272 32.635 3.504 35.177 1.00 12.03 H new ATOM 0 HG21 VAL A 272 35.384 2.882 34.172 1.00 11.63 H new ATOM 0 HG22 VAL A 272 35.132 4.166 35.064 1.00 11.63 H new ATOM 0 HG23 VAL A 272 36.215 3.097 35.502 1.00 11.63 H new ATOM 1988 N ILE A 273 32.126 2.852 38.508 1.00 8.25 N ANISOU 1988 N ILE A 273 1078 1055 1000 99 278 -108 N ATOM 1989 CA ILE A 273 30.984 2.213 39.154 1.00 6.53 C ANISOU 1989 CA ILE A 273 885 785 810 91 252 -127 C ATOM 1990 C ILE A 273 29.933 1.907 38.092 1.00 10.62 C ANISOU 1990 C ILE A 273 1408 1331 1295 101 246 -165 C ATOM 1991 O ILE A 273 29.367 2.825 37.517 1.00 8.76 O ANISOU 1991 O ILE A 273 1178 1133 1018 94 253 -141 O ATOM 1992 CB ILE A 273 30.354 3.174 40.183 1.00 6.10 C ANISOU 1992 CB ILE A 273 852 704 762 63 243 -80 C ATOM 1993 CG1 ILE A 273 31.402 3.617 41.212 1.00 12.09 C ANISOU 1993 CG1 ILE A 273 1606 1442 1546 51 243 -47 C ATOM 1994 CG2 ILE A 273 29.120 2.532 40.853 1.00 6.05 C ANISOU 1994 CG2 ILE A 273 861 663 777 53 222 -90 C ATOM 1995 CD1 ILE A 273 30.883 4.666 42.188 1.00 8.19 C ANISOU 1995 CD1 ILE A 273 1131 928 1052 31 232 -16 C ATOM 0 H ILE A 273 32.052 3.706 38.437 1.00 8.25 H new ATOM 0 HA ILE A 273 31.281 1.403 39.598 1.00 6.53 H new ATOM 0 HB ILE A 273 30.045 3.968 39.720 1.00 6.10 H new ATOM 0 HG12 ILE A 273 31.704 2.842 41.711 1.00 12.09 H new ATOM 0 HG13 ILE A 273 32.174 3.973 40.745 1.00 12.09 H new ATOM 0 HG21 ILE A 273 28.741 3.152 41.495 1.00 6.05 H new ATOM 0 HG22 ILE A 273 28.457 2.322 40.177 1.00 6.05 H new ATOM 0 HG23 ILE A 273 29.386 1.718 41.309 1.00 6.05 H new ATOM 0 HD11 ILE A 273 31.587 4.905 42.811 1.00 8.19 H new ATOM 0 HD12 ILE A 273 30.604 5.455 41.697 1.00 8.19 H new ATOM 0 HD13 ILE A 273 30.127 4.306 42.678 1.00 8.19 H new ATOM 1996 N PRO A 274 29.677 0.615 37.809 1.00 7.86 N ANISOU 1996 N PRO A 274 1056 962 970 119 227 -224 N ATOM 1997 CA PRO A 274 28.677 0.325 36.772 1.00 8.40 C ANISOU 1997 CA PRO A 274 1128 1058 1006 128 213 -267 C ATOM 1998 C PRO A 274 27.298 0.820 37.176 1.00 11.17 C ANISOU 1998 C PRO A 274 1497 1390 1358 100 198 -232 C ATOM 1999 O PRO A 274 26.986 0.908 38.364 1.00 6.61 O ANISOU 1999 O PRO A 274 928 767 818 78 191 -195 O ATOM 2000 CB PRO A 274 28.699 -1.206 36.670 1.00 10.36 C ANISOU 2000 CB PRO A 274 1370 1262 1306 149 182 -338 C ATOM 2001 CG PRO A 274 30.049 -1.597 37.201 1.00 7.97 C ANISOU 2001 CG PRO A 274 1051 936 1041 164 193 -338 C ATOM 2002 CD PRO A 274 30.332 -0.608 38.304 1.00 7.24 C ANISOU 2002 CD PRO A 274 966 832 952 133 210 -257 C ATOM 0 HA PRO A 274 28.874 0.766 35.931 1.00 8.40 H new ATOM 0 HB2 PRO A 274 27.985 -1.605 37.191 1.00 10.36 H new ATOM 0 HB3 PRO A 274 28.581 -1.501 35.754 1.00 10.36 H new ATOM 0 HG2 PRO A 274 30.045 -2.507 37.537 1.00 7.97 H new ATOM 0 HG3 PRO A 274 30.726 -1.554 36.508 1.00 7.97 H new ATOM 0 HD2 PRO A 274 29.962 -0.898 39.153 1.00 7.24 H new ATOM 0 HD3 PRO A 274 31.284 -0.479 38.438 1.00 7.24 H new ATOM 2003 N GLY A 275 26.483 1.158 36.183 1.00 8.23 N ANISOU 2003 N GLY A 275 1126 1063 938 103 193 -244 N ATOM 2004 CA GLY A 275 25.155 1.677 36.440 1.00 9.89 C ANISOU 2004 CA GLY A 275 1346 1263 1148 81 179 -213 C ATOM 2005 C GLY A 275 24.300 0.816 37.356 1.00 8.11 C ANISOU 2005 C GLY A 275 1122 976 982 63 151 -217 C ATOM 2006 O GLY A 275 23.582 1.349 38.191 1.00 6.88 O ANISOU 2006 O GLY A 275 970 806 838 44 153 -173 O ATOM 0 H GLY A 275 26.686 1.092 35.350 1.00 8.23 H new ATOM 0 HA2 GLY A 275 25.237 2.561 36.831 1.00 9.89 H new ATOM 0 HA3 GLY A 275 24.694 1.783 35.593 1.00 9.89 H new ATOM 2007 N AASP A 276 24.388 -0.503 37.192 0.66 7.17 N ANISOU 2007 N AASP A 276 998 824 904 69 124 -268 N ATOM 2008 N BASP A 276 24.368 -0.506 37.223 0.34 10.07 N ANISOU 2008 N BASP A 276 1364 1189 1272 69 124 -267 N ATOM 2009 CA AASP A 276 23.603 -1.434 38.005 0.66 13.60 C ANISOU 2009 CA AASP A 276 1805 1576 1785 46 91 -259 C ATOM 2010 CA BASP A 276 23.506 -1.348 38.057 0.34 7.20 C ANISOU 2010 CA BASP A 276 995 767 973 43 92 -254 C ATOM 2011 C AASP A 276 23.863 -1.267 39.510 0.66 6.86 C ANISOU 2011 C AASP A 276 952 692 964 26 103 -197 C ATOM 2012 C BASP A 276 23.894 -1.368 39.543 0.34 15.71 C ANISOU 2012 C BASP A 276 2072 1808 2090 25 101 -198 C ATOM 2013 O AASP A 276 22.962 -1.474 40.330 0.66 6.82 O ANISOU 2013 O AASP A 276 938 667 988 0 90 -158 O ATOM 2014 O BASP A 276 23.105 -1.799 40.384 0.34 18.95 O ANISOU 2014 O BASP A 276 2472 2189 2539 -1 83 -163 O ATOM 2015 CB AASP A 276 23.875 -2.884 37.588 0.66 10.51 C ANISOU 2015 CB AASP A 276 1406 1139 1449 58 52 -326 C ATOM 2016 CB BASP A 276 23.315 -2.764 37.487 0.34 8.79 C ANISOU 2016 CB BASP A 276 1188 928 1225 50 45 -320 C ATOM 2017 CG AASP A 276 23.295 -3.233 36.220 0.66 27.42 C ANISOU 2017 CG AASP A 276 3546 3309 3564 75 24 -397 C ATOM 2018 CG BASP A 276 24.617 -3.532 37.324 0.34 9.42 C ANISOU 2018 CG BASP A 276 1263 983 1333 79 43 -369 C ATOM 2019 OD1AASP A 276 22.431 -2.488 35.707 0.66 21.90 O ANISOU 2019 OD1AASP A 276 2849 2658 2813 67 29 -382 O ATOM 2020 OD1BASP A 276 25.668 -3.086 37.825 0.34 10.89 O ANISOU 2020 OD1BASP A 276 1451 1179 1509 88 76 -341 O ATOM 2021 OD2AASP A 276 23.699 -4.273 35.660 0.66 22.71 O ANISOU 2021 OD2AASP A 276 2944 2686 3000 98 -6 -473 O ATOM 2022 OD2BASP A 276 24.577 -4.607 36.687 0.34 18.81 O ANISOU 2022 OD2BASP A 276 2446 2141 2561 96 3 -442 O ATOM 0 H AASP A 276 24.899 -0.881 36.613 0.66 10.07 H new ATOM 0 H BASP A 276 24.885 -0.925 36.678 0.34 10.07 H new ATOM 0 HA AASP A 276 22.670 -1.221 37.844 0.66 7.20 H new ATOM 0 HA BASP A 276 22.639 -0.914 38.023 0.34 7.20 H new ATOM 0 HB2AASP A 276 24.833 -3.037 37.576 0.66 8.79 H new ATOM 0 HB2BASP A 276 22.724 -3.264 38.072 0.34 8.79 H new ATOM 0 HB3AASP A 276 23.501 -3.482 38.254 0.66 8.79 H new ATOM 0 HB3BASP A 276 22.874 -2.701 36.625 0.34 8.79 H new ATOM 2023 N TYR A 277 25.092 -0.885 39.866 1.00 9.33 N ANISOU 2023 N TYR A 277 1269 1009 1267 37 129 -186 N ATOM 2024 CA TYR A 277 25.473 -0.712 41.278 1.00 6.40 C ANISOU 2024 CA TYR A 277 898 618 917 21 137 -133 C ATOM 2025 C TYR A 277 24.686 0.428 41.929 1.00 9.02 C ANISOU 2025 C TYR A 277 1236 978 1214 8 154 -90 C ATOM 2026 O TYR A 277 24.606 0.517 43.150 1.00 9.72 O ANISOU 2026 O TYR A 277 1320 1061 1311 -6 156 -51 O ATOM 2027 CB TYR A 277 26.971 -0.394 41.452 1.00 6.33 C ANISOU 2027 CB TYR A 277 890 612 901 36 157 -131 C ATOM 2028 CG TYR A 277 27.964 -1.500 41.141 1.00 6.67 C ANISOU 2028 CG TYR A 277 921 626 989 56 143 -170 C ATOM 2029 CD1 TYR A 277 27.662 -2.524 40.250 1.00 10.61 C ANISOU 2029 CD1 TYR A 277 1413 1105 1515 72 118 -229 C ATOM 2030 CD2 TYR A 277 29.227 -1.496 41.736 1.00 9.25 C ANISOU 2030 CD2 TYR A 277 1240 942 1332 62 152 -152 C ATOM 2031 CE1 TYR A 277 28.590 -3.527 39.963 1.00 8.23 C ANISOU 2031 CE1 TYR A 277 1096 771 1259 99 102 -276 C ATOM 2032 CE2 TYR A 277 30.160 -2.487 41.459 1.00 10.75 C ANISOU 2032 CE2 TYR A 277 1413 1104 1567 87 140 -189 C ATOM 2033 CZ TYR A 277 29.840 -3.495 40.571 1.00 10.02 C ANISOU 2033 CZ TYR A 277 1313 989 1503 108 115 -254 C ATOM 2034 OH TYR A 277 30.762 -4.484 40.288 1.00 12.84 O ANISOU 2034 OH TYR A 277 1651 1315 1913 141 100 -303 O ATOM 0 H ATYR A 277 25.723 -0.720 39.306 0.66 9.33 H new ATOM 0 H BTYR A 277 25.694 -0.653 39.297 0.34 9.33 H new ATOM 0 HA TYR A 277 25.271 -1.559 41.705 1.00 6.40 H new ATOM 0 HB2 TYR A 277 27.183 0.366 40.888 1.00 6.33 H new ATOM 0 HB3 TYR A 277 27.113 -0.114 42.370 1.00 6.33 H new ATOM 0 HD1 TYR A 277 26.828 -2.541 39.838 1.00 10.61 H new ATOM 0 HD2 TYR A 277 29.448 -0.816 42.330 1.00 9.25 H new ATOM 0 HE1 TYR A 277 28.374 -4.210 39.370 1.00 8.23 H new ATOM 0 HE2 TYR A 277 30.995 -2.472 41.869 1.00 10.75 H new ATOM 0 HH TYR A 277 31.519 -4.249 40.565 1.00 12.84 H new ATOM 2035 N ILE A 278 24.125 1.305 41.102 1.00 6.15 N ANISOU 2035 N ILE A 278 878 649 809 16 164 -99 N ATOM 2036 CA ILE A 278 23.499 2.538 41.571 1.00 5.79 C ANISOU 2036 CA ILE A 278 837 626 736 14 178 -68 C ATOM 2037 C ILE A 278 21.972 2.338 41.740 1.00 6.59 C ANISOU 2037 C ILE A 278 925 735 844 3 166 -57 C ATOM 2038 O ILE A 278 21.248 3.222 42.220 1.00 7.19 O ANISOU 2038 O ILE A 278 997 831 903 6 176 -38 O ATOM 2039 CB ILE A 278 23.906 3.702 40.612 1.00 5.74 C ANISOU 2039 CB ILE A 278 840 649 693 29 192 -70 C ATOM 2040 CG1 ILE A 278 25.442 3.841 40.620 1.00 5.77 C ANISOU 2040 CG1 ILE A 278 847 649 696 35 205 -70 C ATOM 2041 CG2 ILE A 278 23.268 5.043 40.998 1.00 8.75 C ANISOU 2041 CG2 ILE A 278 1225 1039 1060 32 198 -45 C ATOM 2042 CD1 ILE A 278 26.015 4.646 39.451 1.00 7.82 C ANISOU 2042 CD1 ILE A 278 1104 944 922 45 217 -64 C ATOM 0 H ILE A 278 24.096 1.201 40.249 1.00 6.15 H new ATOM 0 HA ILE A 278 23.816 2.782 42.455 1.00 5.79 H new ATOM 0 HB ILE A 278 23.581 3.479 39.726 1.00 5.74 H new ATOM 0 HG12 ILE A 278 25.713 4.262 41.451 1.00 5.77 H new ATOM 0 HG13 ILE A 278 25.835 2.954 40.610 1.00 5.77 H new ATOM 0 HG21 ILE A 278 23.552 5.729 40.373 1.00 8.75 H new ATOM 0 HG22 ILE A 278 22.302 4.962 40.971 1.00 8.75 H new ATOM 0 HG23 ILE A 278 23.546 5.288 41.894 1.00 8.75 H new ATOM 0 HD11 ILE A 278 26.981 4.687 39.529 1.00 7.82 H new ATOM 0 HD12 ILE A 278 25.776 4.217 38.614 1.00 7.82 H new ATOM 0 HD13 ILE A 278 25.651 5.545 39.468 1.00 7.82 H new ATOM 2043 N ASP A 279 21.491 1.144 41.391 1.00 8.22 N ANISOU 2043 N ASP A 279 1119 923 1082 -10 141 -72 N ATOM 2044 CA ASP A 279 20.063 0.840 41.498 1.00 8.41 C ANISOU 2044 CA ASP A 279 1122 954 1121 -26 124 -56 C ATOM 2045 C ASP A 279 19.747 0.191 42.848 1.00 12.81 C ANISOU 2045 C ASP A 279 1657 1499 1711 -50 121 -11 C ATOM 2046 O ASP A 279 20.216 -0.910 43.142 1.00 10.67 O ANISOU 2046 O ASP A 279 1380 1189 1486 -65 100 -5 O ATOM 2047 CB ASP A 279 19.655 -0.083 40.340 1.00 6.72 C ANISOU 2047 CB ASP A 279 902 723 929 -31 89 -97 C ATOM 2048 CG ASP A 279 18.238 -0.608 40.465 1.00 14.80 C ANISOU 2048 CG ASP A 279 1896 1743 1983 -56 62 -76 C ATOM 2049 OD1 ASP A 279 17.400 0.004 41.162 1.00 11.88 O ANISOU 2049 OD1 ASP A 279 1509 1404 1602 -62 79 -34 O ATOM 2050 OD2 ASP A 279 17.967 -1.649 39.837 1.00 24.12 O ANISOU 2050 OD2 ASP A 279 3068 2892 3204 -68 21 -107 O ATOM 0 H ASP A 279 21.973 0.498 41.091 1.00 8.22 H new ATOM 0 HA ASP A 279 19.555 1.665 41.443 1.00 8.41 H new ATOM 0 HB2 ASP A 279 19.742 0.400 39.503 1.00 6.72 H new ATOM 0 HB3 ASP A 279 20.269 -0.833 40.300 1.00 6.72 H new ATOM 2051 N PHE A 280 18.946 0.868 43.666 1.00 6.44 N ANISOU 2051 N PHE A 280 835 730 882 -52 139 24 N ATOM 2052 CA PHE A 280 18.551 0.309 44.953 1.00 9.06 C ANISOU 2052 CA PHE A 280 1138 1076 1229 -75 141 76 C ATOM 2053 C PHE A 280 17.080 -0.104 45.021 1.00 10.72 C ANISOU 2053 C PHE A 280 1306 1308 1458 -97 128 110 C ATOM 2054 O PHE A 280 16.518 -0.303 46.098 1.00 11.75 O ANISOU 2054 O PHE A 280 1402 1476 1585 -113 139 163 O ATOM 2055 CB PHE A 280 19.022 1.186 46.118 1.00 12.43 C ANISOU 2055 CB PHE A 280 1571 1540 1611 -59 172 91 C ATOM 2056 CG PHE A 280 20.456 0.937 46.447 1.00 8.62 C ANISOU 2056 CG PHE A 280 1112 1028 1136 -58 170 87 C ATOM 2057 CD1 PHE A 280 21.448 1.415 45.607 1.00 12.58 C ANISOU 2057 CD1 PHE A 280 1644 1503 1632 -39 172 44 C ATOM 2058 CD2 PHE A 280 20.807 0.120 47.511 1.00 10.69 C ANISOU 2058 CD2 PHE A 280 1357 1291 1415 -80 162 133 C ATOM 2059 CE1 PHE A 280 22.767 1.128 45.852 1.00 12.81 C ANISOU 2059 CE1 PHE A 280 1686 1507 1673 -38 169 42 C ATOM 2060 CE2 PHE A 280 22.133 -0.164 47.766 1.00 11.00 C ANISOU 2060 CE2 PHE A 280 1412 1299 1467 -79 155 130 C ATOM 2061 CZ PHE A 280 23.113 0.345 46.936 1.00 12.78 C ANISOU 2061 CZ PHE A 280 1668 1498 1689 -56 159 82 C ATOM 0 H PHE A 280 18.623 1.647 43.496 1.00 6.44 H new ATOM 0 HA PHE A 280 19.022 -0.533 45.049 1.00 9.06 H new ATOM 0 HB2 PHE A 280 18.899 2.121 45.891 1.00 12.43 H new ATOM 0 HB3 PHE A 280 18.475 1.009 46.899 1.00 12.43 H new ATOM 0 HD1 PHE A 280 21.218 1.935 44.871 1.00 12.58 H new ATOM 0 HD2 PHE A 280 20.144 -0.239 48.056 1.00 10.69 H new ATOM 0 HE1 PHE A 280 23.428 1.461 45.288 1.00 12.81 H new ATOM 0 HE2 PHE A 280 22.366 -0.695 48.493 1.00 11.00 H new ATOM 0 HZ PHE A 280 24.008 0.160 47.108 1.00 12.78 H new ATOM 2062 N GLY A 281 16.487 -0.275 43.846 1.00 7.49 N ANISOU 2062 N GLY A 281 897 882 1067 -98 105 80 N ATOM 2063 CA GLY A 281 15.201 -0.945 43.734 1.00 7.60 C ANISOU 2063 CA GLY A 281 868 900 1118 -127 78 110 C ATOM 2064 C GLY A 281 14.012 -0.097 44.132 1.00 9.97 C ANISOU 2064 C GLY A 281 1135 1267 1385 -118 104 138 C ATOM 2065 O GLY A 281 14.171 1.064 44.512 1.00 9.09 O ANISOU 2065 O GLY A 281 1037 1193 1223 -84 140 126 O ATOM 0 H GLY A 281 16.816 -0.008 43.098 1.00 7.49 H new ATOM 0 HA2 GLY A 281 15.081 -1.239 42.817 1.00 7.60 H new ATOM 0 HA3 GLY A 281 15.215 -1.741 44.288 1.00 7.60 H new ATOM 2066 N PRO A 282 12.805 -0.678 44.045 1.00 8.67 N ANISOU 2066 N PRO A 282 924 1113 1257 -147 81 172 N ATOM 2067 CA PRO A 282 11.565 0.066 44.312 1.00 8.36 C ANISOU 2067 CA PRO A 282 843 1141 1192 -135 103 197 C ATOM 2068 C PRO A 282 11.563 0.736 45.691 1.00 12.51 C ANISOU 2068 C PRO A 282 1350 1735 1669 -115 153 228 C ATOM 2069 O PRO A 282 12.031 0.145 46.672 1.00 10.83 O ANISOU 2069 O PRO A 282 1127 1530 1457 -135 161 269 O ATOM 2070 CB PRO A 282 10.488 -1.019 44.220 1.00 8.98 C ANISOU 2070 CB PRO A 282 865 1213 1332 -184 64 246 C ATOM 2071 CG PRO A 282 11.044 -1.995 43.221 1.00 12.28 C ANISOU 2071 CG PRO A 282 1313 1547 1804 -206 9 206 C ATOM 2072 CD PRO A 282 12.535 -2.040 43.537 1.00 8.60 C ANISOU 2072 CD PRO A 282 897 1048 1323 -190 25 181 C ATOM 0 HA PRO A 282 11.434 0.800 43.691 1.00 8.36 H new ATOM 0 HB2 PRO A 282 10.333 -1.440 45.080 1.00 8.98 H new ATOM 0 HB3 PRO A 282 9.639 -0.653 43.926 1.00 8.98 H new ATOM 0 HG2 PRO A 282 10.635 -2.870 43.314 1.00 12.28 H new ATOM 0 HG3 PRO A 282 10.883 -1.702 42.311 1.00 12.28 H new ATOM 0 HD2 PRO A 282 12.742 -2.718 44.199 1.00 8.60 H new ATOM 0 HD3 PRO A 282 13.064 -2.241 42.749 1.00 8.60 H new ATOM 2073 N ILE A 283 11.064 1.968 45.756 1.00 9.12 N ANISOU 2073 N ILE A 283 915 1354 1197 -72 183 205 N ATOM 2074 CA ILE A 283 11.024 2.699 47.024 1.00 8.74 C ANISOU 2074 CA ILE A 283 849 1377 1097 -41 228 213 C ATOM 2075 C ILE A 283 10.126 2.012 48.054 1.00 16.07 C ANISOU 2075 C ILE A 283 1705 2380 2022 -68 244 287 C ATOM 2076 O ILE A 283 10.362 2.109 49.260 1.00 20.78 O ANISOU 2076 O ILE A 283 2286 3038 2573 -59 275 310 O ATOM 2077 CB ILE A 283 10.602 4.182 46.841 1.00 8.41 C ANISOU 2077 CB ILE A 283 811 1361 1023 18 249 164 C ATOM 2078 CG1 ILE A 283 9.198 4.287 46.233 1.00 10.78 C ANISOU 2078 CG1 ILE A 283 1063 1688 1346 20 239 179 C ATOM 2079 CG2 ILE A 283 11.642 4.938 45.995 1.00 12.16 C ANISOU 2079 CG2 ILE A 283 1354 1769 1498 41 235 108 C ATOM 2080 CD1 ILE A 283 8.669 5.718 46.140 1.00 19.24 C ANISOU 2080 CD1 ILE A 283 2127 2785 2398 82 255 137 C ATOM 0 H ILE A 283 10.745 2.398 45.083 1.00 9.12 H new ATOM 0 HA ILE A 283 11.933 2.692 47.363 1.00 8.74 H new ATOM 0 HB ILE A 283 10.568 4.600 47.716 1.00 8.41 H new ATOM 0 HG12 ILE A 283 9.210 3.898 45.345 1.00 10.78 H new ATOM 0 HG13 ILE A 283 8.584 3.758 46.766 1.00 10.78 H new ATOM 0 HG21 ILE A 283 11.364 5.861 45.890 1.00 12.16 H new ATOM 0 HG22 ILE A 283 12.504 4.908 46.439 1.00 12.16 H new ATOM 0 HG23 ILE A 283 11.714 4.521 45.122 1.00 12.16 H new ATOM 0 HD11 ILE A 283 7.782 5.710 45.748 1.00 19.24 H new ATOM 0 HD12 ILE A 283 8.627 6.106 47.028 1.00 19.24 H new ATOM 0 HD13 ILE A 283 9.262 6.247 45.584 1.00 19.24 H new ATOM 2081 N SER A 284 9.098 1.324 47.567 1.00 9.73 N ANISOU 2081 N SER A 284 854 1576 1265 -103 219 328 N ATOM 2082 CA SER A 284 8.216 0.504 48.394 1.00 10.22 C ANISOU 2082 CA SER A 284 838 1703 1341 -143 225 417 C ATOM 2083 C SER A 284 7.812 -0.676 47.537 1.00 11.93 C ANISOU 2083 C SER A 284 1038 1850 1644 -203 165 451 C ATOM 2084 O SER A 284 7.877 -0.590 46.308 1.00 10.12 O ANISOU 2084 O SER A 284 846 1554 1444 -198 130 395 O ATOM 2085 CB SER A 284 6.967 1.285 48.813 1.00 16.17 C ANISOU 2085 CB SER A 284 1526 2559 2056 -109 263 428 C ATOM 2086 OG SER A 284 7.287 2.360 49.673 1.00 19.28 O ANISOU 2086 OG SER A 284 1931 3019 2374 -49 313 386 O ATOM 0 H SER A 284 8.889 1.320 46.733 1.00 9.73 H new ATOM 0 HA SER A 284 8.669 0.228 49.206 1.00 10.22 H new ATOM 0 HB2 SER A 284 6.517 1.625 48.023 1.00 16.17 H new ATOM 0 HB3 SER A 284 6.346 0.688 49.258 1.00 16.17 H new ATOM 0 HG SER A 284 8.117 2.382 49.797 1.00 19.28 H new ATOM 2087 N THR A 285 7.399 -1.775 48.165 1.00 11.94 N ANISOU 2087 N THR A 285 980 1868 1687 -260 149 543 N ATOM 2088 CA THR A 285 7.064 -2.979 47.418 1.00 16.25 C ANISOU 2088 CA THR A 285 1508 2334 2332 -320 81 573 C ATOM 2089 C THR A 285 6.055 -2.710 46.306 1.00 16.11 C ANISOU 2089 C THR A 285 1473 2306 2341 -316 53 540 C ATOM 2090 O THR A 285 4.995 -2.133 46.540 1.00 12.30 O ANISOU 2090 O THR A 285 934 1907 1833 -301 83 565 O ATOM 2091 CB THR A 285 6.535 -4.079 48.348 1.00 16.74 C ANISOU 2091 CB THR A 285 1490 2427 2442 -386 67 698 C ATOM 2092 OG1 THR A 285 7.480 -4.281 49.402 1.00 24.46 O ANISOU 2092 OG1 THR A 285 2483 3424 3386 -388 92 735 O ATOM 2093 CG2 THR A 285 6.332 -5.375 47.581 1.00 17.58 C ANISOU 2093 CG2 THR A 285 1585 2425 2670 -450 -18 721 C ATOM 0 H THR A 285 7.307 -1.842 49.017 1.00 11.94 H new ATOM 0 HA THR A 285 7.887 -3.283 47.004 1.00 16.25 H new ATOM 0 HB THR A 285 5.679 -3.807 48.715 1.00 16.74 H new ATOM 0 HG1 THR A 285 8.093 -4.790 49.136 1.00 24.46 H new ATOM 0 HG21 THR A 285 5.998 -6.058 48.183 1.00 17.58 H new ATOM 0 HG22 THR A 285 5.691 -5.232 46.867 1.00 17.58 H new ATOM 0 HG23 THR A 285 7.177 -5.663 47.203 1.00 17.58 H new ATOM 2094 N GLY A 286 6.404 -3.103 45.087 1.00 12.43 N ANISOU 2094 N GLY A 286 1055 1744 1923 -325 -3 477 N ATOM 2095 CA GLY A 286 5.507 -2.937 43.963 1.00 11.47 C ANISOU 2095 CA GLY A 286 920 1612 1825 -326 -40 444 C ATOM 2096 C GLY A 286 5.566 -1.591 43.268 1.00 10.89 C ANISOU 2096 C GLY A 286 888 1564 1683 -261 -11 369 C ATOM 2097 O GLY A 286 4.914 -1.403 42.247 1.00 14.37 O ANISOU 2097 O GLY A 286 1325 1998 2138 -259 -45 339 O ATOM 0 H GLY A 286 7.158 -3.468 44.894 1.00 12.43 H new ATOM 0 HA2 GLY A 286 5.701 -3.628 43.311 1.00 11.47 H new ATOM 0 HA3 GLY A 286 4.599 -3.084 44.271 1.00 11.47 H new ATOM 2098 N SER A 287 6.336 -0.648 43.804 1.00 10.35 N ANISOU 2098 N SER A 287 861 1525 1548 -212 44 341 N ATOM 2099 CA SER A 287 6.418 0.673 43.186 1.00 9.92 C ANISOU 2099 CA SER A 287 843 1486 1441 -154 65 280 C ATOM 2100 C SER A 287 7.261 0.649 41.919 1.00 9.51 C ANISOU 2100 C SER A 287 859 1364 1389 -147 29 213 C ATOM 2101 O SER A 287 8.219 -0.121 41.817 1.00 10.01 O ANISOU 2101 O SER A 287 960 1372 1471 -167 11 194 O ATOM 2102 CB SER A 287 7.013 1.698 44.157 1.00 11.11 C ANISOU 2102 CB SER A 287 1013 1679 1529 -104 127 268 C ATOM 2103 OG SER A 287 7.125 2.964 43.518 1.00 9.74 O ANISOU 2103 OG SER A 287 874 1503 1324 -52 136 214 O ATOM 0 H SER A 287 6.812 -0.749 44.513 1.00 10.35 H new ATOM 0 HA SER A 287 5.511 0.930 42.956 1.00 9.92 H new ATOM 0 HB2 SER A 287 6.451 1.773 44.944 1.00 11.11 H new ATOM 0 HB3 SER A 287 7.886 1.401 44.458 1.00 11.11 H new ATOM 0 HG SER A 287 7.319 3.550 44.088 1.00 9.74 H new ATOM 2104 N SER A 288 6.915 1.505 40.958 1.00 9.41 N ANISOU 2104 N SER A 288 860 1362 1355 -117 20 178 N ATOM 2105 CA SER A 288 7.741 1.671 39.765 1.00 9.09 C ANISOU 2105 CA SER A 288 880 1280 1294 -104 -5 119 C ATOM 2106 C SER A 288 8.757 2.811 39.898 1.00 11.32 C ANISOU 2106 C SER A 288 1212 1564 1525 -58 36 93 C ATOM 2107 O SER A 288 9.451 3.152 38.941 1.00 10.86 O ANISOU 2107 O SER A 288 1198 1488 1441 -44 24 57 O ATOM 2108 CB SER A 288 6.866 1.885 38.531 1.00 10.79 C ANISOU 2108 CB SER A 288 1080 1508 1510 -103 -47 105 C ATOM 2109 OG SER A 288 6.247 3.159 38.569 1.00 14.52 O ANISOU 2109 OG SER A 288 1534 2025 1959 -63 -23 120 O ATOM 0 H SER A 288 6.209 1.996 40.978 1.00 9.41 H new ATOM 0 HA SER A 288 8.248 0.850 39.663 1.00 9.09 H new ATOM 0 HB2 SER A 288 7.406 1.807 37.729 1.00 10.79 H new ATOM 0 HB3 SER A 288 6.188 1.193 38.486 1.00 10.79 H new ATOM 0 HG SER A 288 6.691 3.701 38.105 1.00 14.52 H new ATOM 2110 N ASER A 289 8.824 3.408 41.083 0.66 8.44 N ANISOU 2110 N ASER A 289 835 1226 1144 -36 82 114 N ATOM 2111 N BSER A 289 8.835 3.392 41.091 0.34 8.43 N ANISOU 2111 N BSER A 289 835 1225 1144 -36 82 114 N ATOM 2112 CA ASER A 289 9.864 4.383 41.386 0.66 8.00 C ANISOU 2112 CA ASER A 289 826 1162 1053 1 114 88 C ATOM 2113 CA BSER A 289 9.854 4.391 41.395 0.34 8.03 C ANISOU 2113 CA BSER A 289 829 1166 1057 1 114 89 C ATOM 2114 C ASER A 289 10.971 3.677 42.148 0.66 7.76 C ANISOU 2114 C ASER A 289 820 1107 1022 -18 128 89 C ATOM 2115 C BSER A 289 10.979 3.727 42.186 0.34 7.76 C ANISOU 2115 C BSER A 289 820 1107 1020 -16 129 88 C ATOM 2116 O ASER A 289 10.695 2.956 43.113 0.66 7.99 O ANISOU 2116 O ASER A 289 816 1154 1065 -41 137 124 O ATOM 2117 O BSER A 289 10.728 3.084 43.207 0.34 13.53 O ANISOU 2117 O BSER A 289 1519 1859 1762 -36 142 123 O ATOM 2118 CB ASER A 289 9.306 5.524 42.234 0.66 12.18 C ANISOU 2118 CB ASER A 289 1328 1734 1566 44 148 94 C ATOM 2119 CB BSER A 289 9.249 5.547 42.197 0.34 8.30 C ANISOU 2119 CB BSER A 289 835 1243 1075 44 147 95 C ATOM 2120 OG ASER A 289 8.411 6.309 41.480 0.66 11.05 O ANISOU 2120 OG ASER A 289 1164 1604 1430 68 133 93 O ATOM 2121 OG BSER A 289 10.232 6.516 42.520 0.34 7.84 O ANISOU 2121 OG BSER A 289 818 1166 993 78 168 66 O ATOM 0 H ASER A 289 8.274 3.261 41.728 0.66 8.43 H new ATOM 0 H BSER A 289 8.302 3.220 41.744 0.34 8.43 H new ATOM 0 HA ASER A 289 10.204 4.760 40.559 0.66 8.03 H new ATOM 0 HA BSER A 289 10.208 4.753 40.568 0.34 8.03 H new ATOM 0 HB2ASER A 289 8.852 5.164 43.012 0.66 8.30 H new ATOM 0 HB2BSER A 289 8.538 5.962 41.684 0.34 8.30 H new ATOM 0 HB3ASER A 289 10.033 6.077 42.561 0.66 8.30 H new ATOM 0 HB3BSER A 289 8.849 5.204 43.012 0.34 8.30 H new ATOM 0 HG ASER A 289 8.726 6.433 40.711 0.66 7.84 H new ATOM 0 HG BSER A 289 9.878 7.140 42.957 0.34 7.84 H new ATOM 2122 N CYS A 290 12.211 3.877 41.705 1.00 7.38 N ANISOU 2122 N CYS A 290 824 1022 958 -9 127 57 N ATOM 2123 CA CYS A 290 13.375 3.211 42.307 1.00 9.50 C ANISOU 2123 CA CYS A 290 1117 1262 1230 -24 136 55 C ATOM 2124 C CYS A 290 14.304 4.206 42.997 1.00 9.04 C ANISOU 2124 C CYS A 290 1087 1206 1141 6 167 43 C ATOM 2125 O CYS A 290 14.405 5.358 42.587 1.00 10.68 O ANISOU 2125 O CYS A 290 1312 1415 1332 36 173 25 O ATOM 2126 CB CYS A 290 14.168 2.429 41.249 1.00 7.24 C ANISOU 2126 CB CYS A 290 861 932 957 -38 106 23 C ATOM 2127 SG CYS A 290 13.490 0.777 40.838 1.00 10.32 S ANISOU 2127 SG CYS A 290 1222 1294 1406 -83 56 27 S ATOM 0 H ACYS A 290 12.405 4.400 41.050 0.66 7.38 H new ATOM 0 H BCYS A 290 12.400 4.365 41.023 0.34 7.38 H new ATOM 0 HA CYS A 290 13.031 2.596 42.974 1.00 9.50 H new ATOM 0 HB2 CYS A 290 14.208 2.959 40.437 1.00 7.24 H new ATOM 0 HB3 CYS A 290 15.080 2.321 41.562 1.00 7.24 H new ATOM 2128 N PHE A 291 14.978 3.757 44.049 1.00 9.56 N ANISOU 2128 N PHE A 291 1157 1271 1205 -4 182 56 N ATOM 2129 CA PHE A 291 15.827 4.658 44.820 1.00 8.71 C ANISOU 2129 CA PHE A 291 1073 1168 1069 22 205 42 C ATOM 2130 C PHE A 291 17.254 4.659 44.293 1.00 6.81 C ANISOU 2130 C PHE A 291 874 882 830 20 198 20 C ATOM 2131 O PHE A 291 17.817 3.603 44.025 1.00 9.22 O ANISOU 2131 O PHE A 291 1186 1161 1156 -3 185 23 O ATOM 2132 CB PHE A 291 15.821 4.273 46.299 1.00 11.61 C ANISOU 2132 CB PHE A 291 1417 1573 1421 14 224 69 C ATOM 2133 CG PHE A 291 16.326 5.367 47.195 1.00 10.58 C ANISOU 2133 CG PHE A 291 1301 1464 1253 48 245 44 C ATOM 2134 CD1 PHE A 291 15.578 6.508 47.389 1.00 9.94 C ANISOU 2134 CD1 PHE A 291 1207 1414 1155 87 257 19 C ATOM 2135 CD2 PHE A 291 17.564 5.261 47.819 1.00 14.40 C ANISOU 2135 CD2 PHE A 291 1811 1934 1728 43 246 40 C ATOM 2136 CE1 PHE A 291 16.043 7.532 48.213 1.00 17.31 C ANISOU 2136 CE1 PHE A 291 2154 2360 2063 123 267 -19 C ATOM 2137 CE2 PHE A 291 18.034 6.277 48.642 1.00 12.66 C ANISOU 2137 CE2 PHE A 291 1605 1731 1476 73 256 9 C ATOM 2138 CZ PHE A 291 17.274 7.410 48.836 1.00 13.75 C ANISOU 2138 CZ PHE A 291 1731 1896 1598 113 265 -24 C ATOM 0 H PHE A 291 14.959 2.945 44.331 1.00 9.56 H new ATOM 0 HA PHE A 291 15.465 5.553 44.725 1.00 8.71 H new ATOM 0 HB2 PHE A 291 14.918 4.038 46.563 1.00 11.61 H new ATOM 0 HB3 PHE A 291 16.368 3.482 46.424 1.00 11.61 H new ATOM 0 HD1 PHE A 291 14.754 6.596 46.966 1.00 9.94 H new ATOM 0 HD2 PHE A 291 18.083 4.501 47.684 1.00 14.40 H new ATOM 0 HE1 PHE A 291 15.528 8.295 48.344 1.00 17.31 H new ATOM 0 HE2 PHE A 291 18.860 6.193 49.061 1.00 12.66 H new ATOM 0 HZ PHE A 291 17.587 8.092 49.385 1.00 13.75 H new ATOM 2139 N GLY A 292 17.828 5.850 44.124 1.00 7.29 N ANISOU 2139 N GLY A 292 960 934 877 45 205 0 N ATOM 2140 CA GLY A 292 19.168 5.972 43.578 1.00 7.13 C ANISOU 2140 CA GLY A 292 970 880 857 43 201 -12 C ATOM 2141 C GLY A 292 20.276 5.710 44.581 1.00 7.87 C ANISOU 2141 C GLY A 292 1076 964 950 37 208 -10 C ATOM 2142 O GLY A 292 20.123 5.976 45.774 1.00 8.69 O ANISOU 2142 O GLY A 292 1171 1089 1040 44 218 -7 O ATOM 0 H GLY A 292 17.453 6.598 44.321 1.00 7.29 H new ATOM 0 HA2 GLY A 292 19.262 5.352 42.838 1.00 7.13 H new ATOM 0 HA3 GLY A 292 19.278 6.865 43.216 1.00 7.13 H new ATOM 2143 N GLY A 293 21.401 5.198 44.091 1.00 6.48 N ANISOU 2143 N GLY A 293 915 762 784 26 203 -15 N ATOM 2144 CA GLY A 293 22.514 4.838 44.956 1.00 5.55 C ANISOU 2144 CA GLY A 293 805 633 672 19 206 -9 C ATOM 2145 C GLY A 293 23.544 5.942 45.084 1.00 7.90 C ANISOU 2145 C GLY A 293 1121 918 963 30 208 -17 C ATOM 2146 O GLY A 293 24.534 5.795 45.806 1.00 7.49 O ANISOU 2146 O GLY A 293 1075 858 915 25 206 -13 O ATOM 0 H GLY A 293 21.538 5.051 43.255 1.00 6.48 H new ATOM 0 HA2 GLY A 293 22.174 4.616 45.837 1.00 5.55 H new ATOM 0 HA3 GLY A 293 22.943 4.041 44.608 1.00 5.55 H new ATOM 2147 N ILE A 294 23.328 7.027 44.349 1.00 7.38 N ANISOU 2147 N ILE A 294 1061 848 894 44 206 -23 N ATOM 2148 CA ILE A 294 24.134 8.235 44.467 1.00 8.94 C ANISOU 2148 CA ILE A 294 1271 1026 1099 51 200 -25 C ATOM 2149 C ILE A 294 23.221 9.343 44.975 1.00 11.90 C ANISOU 2149 C ILE A 294 1644 1402 1475 74 192 -39 C ATOM 2150 O ILE A 294 22.183 9.630 44.376 1.00 7.19 O ANISOU 2150 O ILE A 294 1039 814 879 85 191 -37 O ATOM 2151 CB ILE A 294 24.782 8.629 43.122 1.00 9.12 C ANISOU 2151 CB ILE A 294 1295 1041 1128 46 197 -8 C ATOM 2152 CG1 ILE A 294 25.792 7.557 42.688 1.00 7.04 C ANISOU 2152 CG1 ILE A 294 1029 784 862 34 207 -7 C ATOM 2153 CG2 ILE A 294 25.452 10.001 43.232 1.00 9.72 C ANISOU 2153 CG2 ILE A 294 1377 1089 1226 49 182 3 C ATOM 2154 CD1 ILE A 294 26.439 7.807 41.320 1.00 9.05 C ANISOU 2154 CD1 ILE A 294 1277 1055 1107 33 212 9 C ATOM 0 H ILE A 294 22.702 7.083 43.761 1.00 7.38 H new ATOM 0 HA ILE A 294 24.866 8.082 45.085 1.00 8.94 H new ATOM 0 HB ILE A 294 24.089 8.687 42.445 1.00 9.12 H new ATOM 0 HG12 ILE A 294 26.491 7.498 43.358 1.00 7.04 H new ATOM 0 HG13 ILE A 294 25.345 6.697 42.669 1.00 7.04 H new ATOM 0 HG21 ILE A 294 25.854 10.234 42.381 1.00 9.72 H new ATOM 0 HG22 ILE A 294 24.788 10.667 43.469 1.00 9.72 H new ATOM 0 HG23 ILE A 294 26.139 9.972 43.916 1.00 9.72 H new ATOM 0 HD11 ILE A 294 27.061 7.090 41.120 1.00 9.05 H new ATOM 0 HD12 ILE A 294 25.751 7.838 40.637 1.00 9.05 H new ATOM 0 HD13 ILE A 294 26.915 8.652 41.337 1.00 9.05 H new ATOM 2155 N GLN A 295 23.583 9.930 46.111 1.00 6.82 N ANISOU 2155 N GLN A 295 1008 753 832 84 185 -60 N ATOM 2156 CA GLN A 295 22.730 10.919 46.758 1.00 7.63 C ANISOU 2156 CA GLN A 295 1106 860 935 115 177 -91 C ATOM 2157 C GLN A 295 23.551 12.122 47.199 1.00 6.47 C ANISOU 2157 C GLN A 295 972 670 814 126 149 -115 C ATOM 2158 O GLN A 295 24.775 12.054 47.283 1.00 8.23 O ANISOU 2158 O GLN A 295 1206 873 1048 105 140 -104 O ATOM 2159 CB GLN A 295 22.002 10.313 47.968 1.00 9.38 C ANISOU 2159 CB GLN A 295 1311 1137 1117 125 194 -107 C ATOM 2160 CG GLN A 295 21.059 9.144 47.640 1.00 8.08 C ANISOU 2160 CG GLN A 295 1125 1009 938 111 214 -77 C ATOM 2161 CD GLN A 295 19.837 9.573 46.835 1.00 10.07 C ANISOU 2161 CD GLN A 295 1361 1264 1201 128 214 -78 C ATOM 2162 OE1 GLN A 295 19.528 10.762 46.733 1.00 7.50 O ANISOU 2162 OE1 GLN A 295 1037 920 892 157 202 -102 O ATOM 2163 NE2 GLN A 295 19.140 8.600 46.259 1.00 7.89 N ANISOU 2163 NE2 GLN A 295 1067 1005 924 109 221 -51 N ATOM 0 H GLN A 295 24.320 9.769 46.524 1.00 6.82 H new ATOM 0 HA GLN A 295 22.066 11.207 46.112 1.00 7.63 H new ATOM 0 HB2 GLN A 295 22.664 10.007 48.607 1.00 9.38 H new ATOM 0 HB3 GLN A 295 21.489 11.012 48.403 1.00 9.38 H new ATOM 0 HG2 GLN A 295 21.548 8.470 47.142 1.00 8.08 H new ATOM 0 HG3 GLN A 295 20.766 8.729 48.467 1.00 8.08 H new ATOM 0 HE21 GLN A 295 19.386 7.781 46.352 1.00 7.89 H new ATOM 0 HE22 GLN A 295 18.443 8.789 45.793 1.00 7.89 H new ATOM 2164 N SER A 296 22.869 13.232 47.462 1.00 7.01 N ANISOU 2164 N SER A 296 1038 723 903 159 131 -150 N ATOM 2165 CA SER A 296 23.545 14.453 47.880 1.00 8.13 C ANISOU 2165 CA SER A 296 1192 811 1085 172 93 -182 C ATOM 2166 C SER A 296 24.051 14.362 49.316 1.00 10.74 C ANISOU 2166 C SER A 296 1529 1166 1384 181 87 -230 C ATOM 2167 O SER A 296 23.355 13.865 50.203 1.00 7.76 O ANISOU 2167 O SER A 296 1141 855 954 200 110 -257 O ATOM 2168 CB SER A 296 22.605 15.652 47.753 1.00 11.05 C ANISOU 2168 CB SER A 296 1554 1148 1495 212 68 -214 C ATOM 2169 OG SER A 296 23.226 16.830 48.231 1.00 8.53 O ANISOU 2169 OG SER A 296 1246 766 1229 226 21 -254 O ATOM 0 H SER A 296 22.014 13.298 47.404 1.00 7.01 H new ATOM 0 HA SER A 296 24.310 14.569 47.295 1.00 8.13 H new ATOM 0 HB2 SER A 296 22.348 15.770 46.825 1.00 11.05 H new ATOM 0 HB3 SER A 296 21.791 15.485 48.253 1.00 11.05 H new ATOM 0 HG SER A 296 22.698 17.478 48.149 1.00 8.53 H new ATOM 2170 N SER A 297 25.265 14.860 49.537 1.00 7.88 N ANISOU 2170 N SER A 297 1181 760 1054 164 54 -234 N ATOM 2171 CA SER A 297 25.825 14.944 50.883 1.00 8.64 C ANISOU 2171 CA SER A 297 1284 876 1123 173 37 -285 C ATOM 2172 C SER A 297 25.478 16.267 51.569 1.00 11.79 C ANISOU 2172 C SER A 297 1687 1243 1549 218 -5 -367 C ATOM 2173 O SER A 297 25.913 16.525 52.696 1.00 15.45 O ANISOU 2173 O SER A 297 2157 1723 1989 232 -30 -425 O ATOM 2174 CB SER A 297 27.348 14.797 50.816 1.00 8.98 C ANISOU 2174 CB SER A 297 1335 886 1191 132 16 -253 C ATOM 2175 OG SER A 297 27.896 15.918 50.130 1.00 10.23 O ANISOU 2175 OG SER A 297 1497 962 1428 122 -26 -242 O ATOM 0 H SER A 297 25.783 15.156 48.917 1.00 7.88 H new ATOM 0 HA SER A 297 25.437 14.225 51.406 1.00 8.64 H new ATOM 0 HB2 SER A 297 27.718 14.739 51.711 1.00 8.98 H new ATOM 0 HB3 SER A 297 27.585 13.976 50.357 1.00 8.98 H new ATOM 0 HG SER A 297 28.693 15.756 49.921 1.00 10.23 H new ATOM 2176 N ALA A 298 24.716 17.123 50.894 1.00 10.16 N ANISOU 2176 N ALA A 298 1476 990 1395 242 -20 -376 N ATOM 2177 CA ALA A 298 24.388 18.422 51.467 1.00 9.68 C ANISOU 2177 CA ALA A 298 1416 883 1378 291 -68 -460 C ATOM 2178 C ALA A 298 23.599 18.223 52.764 1.00 16.62 C ANISOU 2178 C ALA A 298 2286 1853 2178 342 -47 -543 C ATOM 2179 O ALA A 298 22.587 17.525 52.787 1.00 25.25 O ANISOU 2179 O ALA A 298 3359 3023 3213 357 4 -530 O ATOM 2180 CB ALA A 298 23.589 19.273 50.466 1.00 11.89 C ANISOU 2180 CB ALA A 298 1687 1099 1733 311 -86 -445 C ATOM 0 H ALA A 298 24.384 16.974 50.115 1.00 10.16 H new ATOM 0 HA ALA A 298 25.210 18.897 51.667 1.00 9.68 H new ATOM 0 HB1 ALA A 298 23.381 20.132 50.865 1.00 11.89 H new ATOM 0 HB2 ALA A 298 24.116 19.409 49.663 1.00 11.89 H new ATOM 0 HB3 ALA A 298 22.765 18.815 50.237 1.00 11.89 H new ATOM 2181 N GLY A 299 24.060 18.835 53.847 1.00 23.67 N ANISOU 2181 N GLY A 299 3188 2742 3064 368 -87 -629 N ATOM 2182 CA GLY A 299 23.411 18.618 55.126 1.00 42.61 C ANISOU 2182 CA GLY A 299 5571 5252 5369 409 -61 -693 C ATOM 2183 C GLY A 299 23.966 17.448 55.924 1.00 49.09 C ANISOU 2183 C GLY A 299 6393 6167 6092 385 -31 -675 C ATOM 2184 O GLY A 299 23.646 17.303 57.100 1.00 40.66 O ANISOU 2184 O GLY A 299 5309 5197 4943 409 -18 -716 O ATOM 0 H GLY A 299 24.734 19.369 53.862 1.00 23.67 H new ATOM 0 HA2 GLY A 299 23.492 19.425 55.658 1.00 42.61 H new ATOM 0 HA3 GLY A 299 22.464 18.472 54.975 1.00 42.61 H new ATOM 2185 N ILE A 300 24.778 16.600 55.296 1.00 21.90 N ANISOU 2185 N ILE A 300 2959 2702 2661 321 -18 -580 N ATOM 2186 CA ILE A 300 25.556 15.619 56.053 1.00 13.53 C ANISOU 2186 CA ILE A 300 1899 1708 1533 288 -6 -548 C ATOM 2187 C ILE A 300 26.773 16.308 56.635 1.00 24.20 C ANISOU 2187 C ILE A 300 3271 3014 2912 281 -68 -597 C ATOM 2188 O ILE A 300 27.135 16.084 57.791 1.00 22.66 O ANISOU 2188 O ILE A 300 3075 2890 2647 288 -78 -633 O ATOM 2189 CB ILE A 300 26.034 14.427 55.193 1.00 16.38 C ANISOU 2189 CB ILE A 300 2259 2059 1906 229 26 -438 C ATOM 2190 CG1 ILE A 300 24.855 13.555 54.781 1.00 20.79 C ANISOU 2190 CG1 ILE A 300 2796 2673 2431 231 82 -390 C ATOM 2191 CG2 ILE A 300 27.047 13.586 55.964 1.00 24.02 C ANISOU 2191 CG2 ILE A 300 3228 3070 2829 197 22 -407 C ATOM 2192 CD1 ILE A 300 25.259 12.359 53.933 1.00 17.66 C ANISOU 2192 CD1 ILE A 300 2397 2261 2051 180 106 -298 C ATOM 0 H ILE A 300 24.893 16.575 54.444 1.00 21.90 H new ATOM 0 HA ILE A 300 24.974 15.264 56.743 1.00 13.53 H new ATOM 0 HB ILE A 300 26.457 14.782 54.395 1.00 16.38 H new ATOM 0 HG12 ILE A 300 24.400 13.240 55.578 1.00 20.79 H new ATOM 0 HG13 ILE A 300 24.219 14.095 54.286 1.00 20.79 H new ATOM 0 HG21 ILE A 300 27.337 12.843 55.412 1.00 24.02 H new ATOM 0 HG22 ILE A 300 27.813 14.134 56.197 1.00 24.02 H new ATOM 0 HG23 ILE A 300 26.636 13.246 56.774 1.00 24.02 H new ATOM 0 HD11 ILE A 300 24.470 11.844 53.703 1.00 17.66 H new ATOM 0 HD12 ILE A 300 25.691 12.669 53.121 1.00 17.66 H new ATOM 0 HD13 ILE A 300 25.874 11.800 54.433 1.00 17.66 H new ATOM 2193 N GLY A 301 27.402 17.157 55.827 1.00 16.48 N ANISOU 2193 N GLY A 301 2307 1920 2036 264 -112 -591 N ATOM 2194 CA GLY A 301 28.572 17.897 56.262 1.00 17.79 C ANISOU 2194 CA GLY A 301 2487 2025 2249 250 -181 -631 C ATOM 2195 C GLY A 301 29.881 17.280 55.804 1.00 15.34 C ANISOU 2195 C GLY A 301 2177 1684 1966 185 -184 -543 C ATOM 2196 O GLY A 301 30.952 17.830 56.032 1.00 20.03 O ANISOU 2196 O GLY A 301 2777 2224 2610 163 -241 -557 O ATOM 0 H GLY A 301 27.161 17.317 55.017 1.00 16.48 H new ATOM 0 HA2 GLY A 301 28.515 18.805 55.926 1.00 17.79 H new ATOM 0 HA3 GLY A 301 28.570 17.952 57.230 1.00 17.79 H new ATOM 2197 N ILE A 302 29.796 16.126 55.158 1.00 15.25 N ANISOU 2197 N ILE A 302 2157 1710 1928 157 -127 -455 N ATOM 2198 CA ILE A 302 30.989 15.464 54.640 1.00 10.60 C ANISOU 2198 CA ILE A 302 1563 1099 1367 104 -124 -375 C ATOM 2199 C ILE A 302 30.551 14.580 53.480 1.00 11.93 C ANISOU 2199 C ILE A 302 1722 1276 1535 87 -66 -297 C ATOM 2200 O ILE A 302 29.414 14.112 53.463 1.00 11.83 O ANISOU 2200 O ILE A 302 1705 1312 1477 110 -26 -300 O ATOM 2201 CB ILE A 302 31.712 14.648 55.745 1.00 20.58 C ANISOU 2201 CB ILE A 302 2823 2430 2565 90 -128 -372 C ATOM 2202 CG1 ILE A 302 33.101 14.204 55.281 1.00 43.81 C ANISOU 2202 CG1 ILE A 302 5756 5336 5554 41 -139 -303 C ATOM 2203 CG2 ILE A 302 30.875 13.463 56.192 1.00 19.88 C ANISOU 2203 CG2 ILE A 302 2724 2438 2389 101 -73 -348 C ATOM 0 H ILE A 302 29.059 15.708 55.008 1.00 15.25 H new ATOM 0 HA ILE A 302 31.633 16.121 54.333 1.00 10.60 H new ATOM 0 HB ILE A 302 31.829 15.229 56.513 1.00 20.58 H new ATOM 0 HG21 ILE A 302 31.350 12.973 56.881 1.00 19.88 H new ATOM 0 HG22 ILE A 302 30.029 13.779 56.546 1.00 19.88 H new ATOM 0 HG23 ILE A 302 30.710 12.879 55.435 1.00 19.88 H new ATOM 2204 N ASN A 303 31.430 14.389 52.495 1.00 8.33 N ANISOU 2204 N ASN A 303 1258 778 1130 50 -64 -232 N ATOM 2205 CA ASN A 303 31.138 13.472 51.401 1.00 9.75 C ANISOU 2205 CA ASN A 303 1428 973 1304 37 -13 -169 C ATOM 2206 C ASN A 303 31.489 12.061 51.843 1.00 7.04 C ANISOU 2206 C ASN A 303 1077 685 913 24 14 -139 C ATOM 2207 O ASN A 303 32.458 11.862 52.583 1.00 10.65 O ANISOU 2207 O ASN A 303 1531 1149 1366 9 -8 -138 O ATOM 2208 CB ASN A 303 31.912 13.867 50.131 1.00 7.64 C ANISOU 2208 CB ASN A 303 1149 653 1100 9 -19 -114 C ATOM 2209 CG ASN A 303 31.531 15.249 49.634 1.00 12.40 C ANISOU 2209 CG ASN A 303 1756 1195 1762 17 -53 -125 C ATOM 2210 OD1 ASN A 303 30.352 15.531 49.434 1.00 11.09 O ANISOU 2210 OD1 ASN A 303 1595 1031 1586 45 -42 -148 O ATOM 2211 ND2 ASN A 303 32.522 16.130 49.465 1.00 10.67 N ANISOU 2211 ND2 ASN A 303 1527 917 1609 -8 -98 -106 N ATOM 0 H ASN A 303 32.195 14.779 52.444 1.00 8.33 H new ATOM 0 HA ASN A 303 30.194 13.515 51.182 1.00 9.75 H new ATOM 0 HB2 ASN A 303 32.864 13.842 50.314 1.00 7.64 H new ATOM 0 HB3 ASN A 303 31.740 13.215 49.433 1.00 7.64 H new ATOM 0 HD21 ASN A 303 32.346 16.931 49.206 1.00 10.67 H new ATOM 0 HD22 ASN A 303 33.336 15.896 49.615 1.00 10.67 H new ATOM 2212 N ILE A 304 30.683 11.090 51.427 1.00 6.69 N ANISOU 2212 N ILE A 304 1027 674 839 28 57 -115 N ATOM 2213 CA ILE A 304 30.896 9.712 51.877 1.00 7.71 C ANISOU 2213 CA ILE A 304 1147 846 937 16 75 -83 C ATOM 2214 C ILE A 304 30.998 8.739 50.719 1.00 10.51 C ANISOU 2214 C ILE A 304 1490 1188 1313 3 104 -40 C ATOM 2215 O ILE A 304 30.025 8.498 49.997 1.00 7.04 O ANISOU 2215 O ILE A 304 1050 755 869 11 128 -37 O ATOM 2216 CB ILE A 304 29.785 9.233 52.845 1.00 6.68 C ANISOU 2216 CB ILE A 304 1013 781 746 32 91 -97 C ATOM 2217 CG1 ILE A 304 29.648 10.198 54.021 1.00 9.23 C ANISOU 2217 CG1 ILE A 304 1343 1131 1032 55 64 -156 C ATOM 2218 CG2 ILE A 304 30.090 7.808 53.358 1.00 8.37 C ANISOU 2218 CG2 ILE A 304 1212 1030 940 13 100 -48 C ATOM 2219 CD1 ILE A 304 28.460 9.887 54.926 1.00 12.16 C ANISOU 2219 CD1 ILE A 304 1703 1584 1332 78 85 -171 C ATOM 0 H ILE A 304 30.018 11.201 50.894 1.00 6.69 H new ATOM 0 HA ILE A 304 31.742 9.723 52.352 1.00 7.71 H new ATOM 0 HB ILE A 304 28.946 9.214 52.359 1.00 6.68 H new ATOM 0 HG12 ILE A 304 30.462 10.173 54.548 1.00 9.23 H new ATOM 0 HG13 ILE A 304 29.558 11.102 53.680 1.00 9.23 H new ATOM 0 HG21 ILE A 304 29.386 7.524 53.962 1.00 8.37 H new ATOM 0 HG22 ILE A 304 30.137 7.197 52.606 1.00 8.37 H new ATOM 0 HG23 ILE A 304 30.938 7.808 53.828 1.00 8.37 H new ATOM 0 HD11 ILE A 304 28.427 10.531 55.650 1.00 12.16 H new ATOM 0 HD12 ILE A 304 27.639 9.937 54.412 1.00 12.16 H new ATOM 0 HD13 ILE A 304 28.557 8.994 55.292 1.00 12.16 H new ATOM 2220 N PHE A 305 32.192 8.186 50.553 1.00 7.71 N ANISOU 2220 N PHE A 305 1124 821 984 -15 99 -11 N ATOM 2221 CA PHE A 305 32.418 7.098 49.616 1.00 5.86 C ANISOU 2221 CA PHE A 305 876 582 769 -20 123 17 C ATOM 2222 C PHE A 305 32.023 5.791 50.289 1.00 7.80 C ANISOU 2222 C PHE A 305 1115 851 999 -22 127 34 C ATOM 2223 O PHE A 305 32.848 5.092 50.896 1.00 9.13 O ANISOU 2223 O PHE A 305 1271 1021 1179 -31 113 57 O ATOM 2224 CB PHE A 305 33.880 7.097 49.140 1.00 7.10 C ANISOU 2224 CB PHE A 305 1016 719 964 -31 116 37 C ATOM 2225 CG PHE A 305 34.220 8.275 48.272 1.00 6.24 C ANISOU 2225 CG PHE A 305 904 590 877 -36 114 41 C ATOM 2226 CD1 PHE A 305 34.652 9.468 48.840 1.00 9.35 C ANISOU 2226 CD1 PHE A 305 1303 961 1288 -45 79 33 C ATOM 2227 CD2 PHE A 305 34.083 8.198 46.892 1.00 7.26 C ANISOU 2227 CD2 PHE A 305 1023 724 1011 -31 140 54 C ATOM 2228 CE1 PHE A 305 34.947 10.563 48.045 1.00 13.23 C ANISOU 2228 CE1 PHE A 305 1787 1426 1813 -56 70 49 C ATOM 2229 CE2 PHE A 305 34.365 9.287 46.093 1.00 8.04 C ANISOU 2229 CE2 PHE A 305 1114 812 1128 -40 136 74 C ATOM 2230 CZ PHE A 305 34.803 10.470 46.666 1.00 9.01 C ANISOU 2230 CZ PHE A 305 1239 903 1281 -55 100 77 C ATOM 0 H PHE A 305 32.895 8.432 50.982 1.00 7.71 H new ATOM 0 HA PHE A 305 31.871 7.211 48.823 1.00 5.86 H new ATOM 0 HB2 PHE A 305 34.466 7.092 49.913 1.00 7.10 H new ATOM 0 HB3 PHE A 305 34.053 6.279 48.648 1.00 7.10 H new ATOM 0 HD1 PHE A 305 34.744 9.531 49.763 1.00 9.35 H new ATOM 0 HD2 PHE A 305 33.798 7.403 46.502 1.00 7.26 H new ATOM 0 HE1 PHE A 305 35.240 11.356 48.432 1.00 13.23 H new ATOM 0 HE2 PHE A 305 34.261 9.227 45.171 1.00 8.04 H new ATOM 0 HZ PHE A 305 35.001 11.202 46.128 1.00 9.01 H new ATOM 2231 N GLY A 306 30.733 5.484 50.205 1.00 7.71 N ANISOU 2231 N GLY A 306 1106 857 966 -15 143 30 N ATOM 2232 CA GLY A 306 30.186 4.291 50.821 1.00 8.15 C ANISOU 2232 CA GLY A 306 1150 934 1013 -23 144 59 C ATOM 2233 C GLY A 306 30.307 3.081 49.914 1.00 8.71 C ANISOU 2233 C GLY A 306 1208 973 1128 -27 149 74 C ATOM 2234 O GLY A 306 31.042 3.107 48.921 1.00 6.83 O ANISOU 2234 O GLY A 306 970 709 918 -21 154 60 O ATOM 0 H GLY A 306 30.153 5.964 49.788 1.00 7.71 H new ATOM 0 HA2 GLY A 306 30.649 4.117 51.656 1.00 8.15 H new ATOM 0 HA3 GLY A 306 29.253 4.439 51.040 1.00 8.15 H new ATOM 2235 N ASP A 307 29.576 2.025 50.259 1.00 6.16 N ANISOU 2235 N ASP A 307 871 656 813 -38 145 102 N ATOM 2236 CA ASP A 307 29.697 0.733 49.584 1.00 6.08 C ANISOU 2236 CA ASP A 307 848 605 858 -42 136 112 C ATOM 2237 C ASP A 307 29.501 0.825 48.067 1.00 5.90 C ANISOU 2237 C ASP A 307 832 561 849 -26 150 69 C ATOM 2238 O ASP A 307 30.180 0.133 47.320 1.00 7.42 O ANISOU 2238 O ASP A 307 1017 722 1081 -16 144 52 O ATOM 2239 CB ASP A 307 28.714 -0.285 50.180 1.00 8.10 C ANISOU 2239 CB ASP A 307 1084 866 1126 -62 123 156 C ATOM 2240 CG ASP A 307 28.984 -0.579 51.649 1.00 15.03 C ANISOU 2240 CG ASP A 307 1947 1778 1987 -79 107 213 C ATOM 2241 OD1 ASP A 307 30.132 -0.396 52.092 1.00 10.07 O ANISOU 2241 OD1 ASP A 307 1321 1147 1359 -76 96 217 O ATOM 2242 OD2 ASP A 307 28.052 -1.001 52.364 1.00 10.29 O ANISOU 2242 OD2 ASP A 307 1328 1213 1370 -98 105 259 O ATOM 0 H ASP A 307 28.994 2.036 50.892 1.00 6.16 H new ATOM 0 HA ASP A 307 30.607 0.433 49.734 1.00 6.08 H new ATOM 0 HB2 ASP A 307 27.809 0.051 50.083 1.00 8.10 H new ATOM 0 HB3 ASP A 307 28.765 -1.111 49.675 1.00 8.10 H new ATOM 2243 N VAL A 308 28.564 1.661 47.617 1.00 8.06 N ANISOU 2243 N VAL A 308 1117 856 1088 -21 166 50 N ATOM 2244 CA VAL A 308 28.332 1.848 46.177 1.00 6.73 C ANISOU 2244 CA VAL A 308 955 681 922 -7 177 15 C ATOM 2245 C VAL A 308 29.633 2.143 45.425 1.00 8.96 C ANISOU 2245 C VAL A 308 1236 957 1211 6 185 -2 C ATOM 2246 O VAL A 308 29.879 1.594 44.344 1.00 7.59 O ANISOU 2246 O VAL A 308 1055 779 1050 20 189 -29 O ATOM 2247 CB VAL A 308 27.302 2.967 45.907 1.00 7.58 C ANISOU 2247 CB VAL A 308 1073 815 992 -2 190 6 C ATOM 2248 CG1 VAL A 308 27.344 3.409 44.436 1.00 9.52 C ANISOU 2248 CG1 VAL A 308 1324 1065 1229 11 199 -19 C ATOM 2249 CG2 VAL A 308 25.901 2.471 46.266 1.00 7.16 C ANISOU 2249 CG2 VAL A 308 1010 774 935 -12 186 19 C ATOM 0 H VAL A 308 28.052 2.129 48.125 1.00 8.06 H new ATOM 0 HA VAL A 308 27.971 1.011 45.845 1.00 6.73 H new ATOM 0 HB VAL A 308 27.526 3.733 46.458 1.00 7.58 H new ATOM 0 HG11 VAL A 308 26.690 4.111 44.290 1.00 9.52 H new ATOM 0 HG12 VAL A 308 28.229 3.743 44.223 1.00 9.52 H new ATOM 0 HG13 VAL A 308 27.139 2.653 43.865 1.00 9.52 H new ATOM 0 HG21 VAL A 308 25.255 3.174 46.096 1.00 7.16 H new ATOM 0 HG22 VAL A 308 25.684 1.696 45.725 1.00 7.16 H new ATOM 0 HG23 VAL A 308 25.874 2.228 47.205 1.00 7.16 H new ATOM 2250 N ALA A 309 30.468 2.997 46.014 1.00 7.44 N ANISOU 2250 N ALA A 309 1047 771 1009 3 186 12 N ATOM 2251 CA ALA A 309 31.762 3.309 45.430 1.00 5.62 C ANISOU 2251 CA ALA A 309 806 541 789 10 193 9 C ATOM 2252 C ALA A 309 32.805 2.245 45.753 1.00 9.65 C ANISOU 2252 C ALA A 309 1297 1032 1338 14 182 14 C ATOM 2253 O ALA A 309 33.543 1.802 44.872 1.00 6.95 O ANISOU 2253 O ALA A 309 937 692 1012 31 192 -4 O ATOM 2254 CB ALA A 309 32.248 4.666 45.905 1.00 5.58 C ANISOU 2254 CB ALA A 309 807 540 772 1 188 24 C ATOM 0 H ALA A 309 30.301 3.405 46.753 1.00 7.44 H new ATOM 0 HA ALA A 309 31.643 3.328 44.467 1.00 5.62 H new ATOM 0 HB1 ALA A 309 33.111 4.858 45.507 1.00 5.58 H new ATOM 0 HB2 ALA A 309 31.611 5.349 45.641 1.00 5.58 H new ATOM 0 HB3 ALA A 309 32.333 4.660 46.871 1.00 5.58 H new ATOM 2255 N LEU A 310 32.895 1.864 47.023 1.00 8.44 N ANISOU 2255 N LEU A 310 1143 867 1196 1 162 40 N ATOM 2256 CA LEU A 310 33.962 0.958 47.443 1.00 6.12 C ANISOU 2256 CA LEU A 310 827 552 945 4 145 55 C ATOM 2257 C LEU A 310 33.888 -0.430 46.805 1.00 6.37 C ANISOU 2257 C LEU A 310 844 551 1024 20 138 36 C ATOM 2258 O LEU A 310 34.922 -1.044 46.532 1.00 8.18 O ANISOU 2258 O LEU A 310 1051 764 1295 38 133 26 O ATOM 2259 CB LEU A 310 34.013 0.839 48.966 1.00 6.43 C ANISOU 2259 CB LEU A 310 868 596 981 -16 120 96 C ATOM 2260 CG LEU A 310 34.192 2.156 49.720 1.00 8.38 C ANISOU 2260 CG LEU A 310 1129 872 1185 -27 117 100 C ATOM 2261 CD1 LEU A 310 34.269 1.891 51.214 1.00 9.92 C ANISOU 2261 CD1 LEU A 310 1320 1085 1364 -43 91 135 C ATOM 2262 CD2 LEU A 310 35.443 2.906 49.239 1.00 8.99 C ANISOU 2262 CD2 LEU A 310 1196 944 1276 -24 120 92 C ATOM 0 H LEU A 310 32.359 2.112 47.648 1.00 8.44 H new ATOM 0 HA LEU A 310 34.784 1.361 47.121 1.00 6.12 H new ATOM 0 HB2 LEU A 310 33.194 0.418 49.270 1.00 6.43 H new ATOM 0 HB3 LEU A 310 34.742 0.245 49.205 1.00 6.43 H new ATOM 0 HG LEU A 310 33.423 2.719 49.538 1.00 8.38 H new ATOM 0 HD11 LEU A 310 34.383 2.731 51.686 1.00 9.92 H new ATOM 0 HD12 LEU A 310 33.451 1.462 51.509 1.00 9.92 H new ATOM 0 HD13 LEU A 310 35.023 1.311 51.401 1.00 9.92 H new ATOM 0 HD21 LEU A 310 35.533 3.736 49.733 1.00 8.99 H new ATOM 0 HD22 LEU A 310 36.228 2.356 49.388 1.00 8.99 H new ATOM 0 HD23 LEU A 310 35.360 3.101 48.292 1.00 8.99 H new ATOM 2263 N LYS A 311 32.675 -0.926 46.564 1.00 6.36 N ANISOU 2263 N LYS A 311 852 541 1025 16 134 26 N ATOM 2264 CA LYS A 311 32.520 -2.269 46.019 1.00 7.44 C ANISOU 2264 CA LYS A 311 975 634 1218 29 114 2 C ATOM 2265 C LYS A 311 32.967 -2.352 44.555 1.00 10.39 C ANISOU 2265 C LYS A 311 1341 1017 1591 64 132 -62 C ATOM 2266 O LYS A 311 33.121 -3.446 44.016 1.00 8.04 O ANISOU 2266 O LYS A 311 1029 683 1344 86 113 -101 O ATOM 2267 CB LYS A 311 31.073 -2.768 46.171 1.00 7.14 C ANISOU 2267 CB LYS A 311 943 582 1188 9 98 14 C ATOM 2268 CG LYS A 311 30.142 -2.215 45.105 1.00 8.45 C ANISOU 2268 CG LYS A 311 1124 774 1312 16 118 -27 C ATOM 2269 CD LYS A 311 28.757 -2.869 45.168 1.00 17.81 C ANISOU 2269 CD LYS A 311 2307 1941 2518 -4 96 -16 C ATOM 2270 CE LYS A 311 27.871 -2.234 46.213 1.00 24.94 C ANISOU 2270 CE LYS A 311 3214 2880 3383 -31 105 37 C ATOM 2271 NZ LYS A 311 26.477 -2.789 46.126 1.00 13.70 N ANISOU 2271 NZ LYS A 311 1780 1449 1977 -50 88 50 N ATOM 0 H LYS A 311 31.939 -0.505 46.708 1.00 6.36 H new ATOM 0 HA LYS A 311 33.101 -2.850 46.535 1.00 7.44 H new ATOM 0 HB2 LYS A 311 31.064 -3.737 46.131 1.00 7.14 H new ATOM 0 HB3 LYS A 311 30.740 -2.517 47.047 1.00 7.14 H new ATOM 0 HG2 LYS A 311 30.053 -1.256 45.219 1.00 8.45 H new ATOM 0 HG3 LYS A 311 30.530 -2.362 44.228 1.00 8.45 H new ATOM 0 HD2 LYS A 311 28.330 -2.801 44.300 1.00 17.81 H new ATOM 0 HD3 LYS A 311 28.856 -3.814 45.362 1.00 17.81 H new ATOM 0 HE2 LYS A 311 28.236 -2.397 47.097 1.00 24.94 H new ATOM 0 HE3 LYS A 311 27.851 -1.272 46.087 1.00 24.94 H new ATOM 0 HZ1 LYS A 311 25.989 -2.473 46.800 1.00 13.70 H new ATOM 0 HZ2 LYS A 311 26.108 -2.546 45.353 1.00 13.70 H new ATOM 0 HZ3 LYS A 311 26.507 -3.677 46.173 1.00 13.70 H new ATOM 2272 N ALA A 312 33.178 -1.199 43.918 1.00 9.64 N ANISOU 2272 N ALA A 312 1252 971 1438 69 165 -72 N ATOM 2273 CA ALA A 312 33.706 -1.168 42.554 1.00 7.19 C ANISOU 2273 CA ALA A 312 929 694 1111 101 187 -121 C ATOM 2274 C ALA A 312 35.231 -1.289 42.535 1.00 9.88 C ANISOU 2274 C ALA A 312 1238 1044 1474 122 197 -121 C ATOM 2275 O ALA A 312 35.842 -1.336 41.464 1.00 10.46 O ANISOU 2275 O ALA A 312 1289 1157 1530 154 220 -160 O ATOM 2276 CB ALA A 312 33.266 0.112 41.830 1.00 7.50 C ANISOU 2276 CB ALA A 312 980 787 1081 94 215 -115 C ATOM 0 H ALA A 312 33.022 -0.425 44.258 1.00 9.64 H new ATOM 0 HA ALA A 312 33.341 -1.935 42.085 1.00 7.19 H new ATOM 0 HB1 ALA A 312 33.625 0.114 40.929 1.00 7.50 H new ATOM 0 HB2 ALA A 312 32.297 0.146 41.792 1.00 7.50 H new ATOM 0 HB3 ALA A 312 33.597 0.886 42.311 1.00 7.50 H new ATOM 2277 N ALA A 313 35.846 -1.352 43.713 1.00 7.68 N ANISOU 2277 N ALA A 313 953 736 1228 106 179 -77 N ATOM 2278 CA ALA A 313 37.304 -1.339 43.793 1.00 8.09 C ANISOU 2278 CA ALA A 313 971 799 1303 121 186 -68 C ATOM 2279 C ALA A 313 37.852 -2.356 44.787 1.00 9.82 C ANISOU 2279 C ALA A 313 1175 964 1593 123 149 -48 C ATOM 2280 O ALA A 313 37.128 -2.881 45.628 1.00 10.47 O ANISOU 2280 O ALA A 313 1273 1006 1699 102 119 -22 O ATOM 2281 CB ALA A 313 37.791 0.047 44.181 1.00 8.92 C ANISOU 2281 CB ALA A 313 1079 938 1372 94 199 -21 C ATOM 0 H ALA A 313 35.442 -1.402 44.471 1.00 7.68 H new ATOM 0 HA ALA A 313 37.632 -1.582 42.913 1.00 8.09 H new ATOM 0 HB1 ALA A 313 38.760 0.047 44.232 1.00 8.92 H new ATOM 0 HB2 ALA A 313 37.503 0.690 43.514 1.00 8.92 H new ATOM 0 HB3 ALA A 313 37.422 0.290 45.045 1.00 8.92 H new ATOM 2282 N PHE A 314 39.150 -2.615 44.679 1.00 7.96 N ANISOU 2282 N PHE A 314 900 733 1390 148 153 -51 N ATOM 2283 CA PHE A 314 39.894 -3.298 45.728 1.00 8.22 C ANISOU 2283 CA PHE A 314 912 724 1487 146 117 -15 C ATOM 2284 C PHE A 314 40.537 -2.158 46.506 1.00 9.48 C ANISOU 2284 C PHE A 314 1071 916 1614 113 119 40 C ATOM 2285 O PHE A 314 41.235 -1.329 45.924 1.00 8.91 O ANISOU 2285 O PHE A 314 981 890 1516 117 148 37 O ATOM 2286 CB PHE A 314 40.957 -4.196 45.103 1.00 8.84 C ANISOU 2286 CB PHE A 314 944 791 1626 198 117 -57 C ATOM 2287 CG PHE A 314 41.858 -4.868 46.099 1.00 9.19 C ANISOU 2287 CG PHE A 314 958 792 1743 200 78 -15 C ATOM 2288 CD1 PHE A 314 41.508 -6.079 46.670 1.00 13.94 C ANISOU 2288 CD1 PHE A 314 1559 1317 2420 203 29 -5 C ATOM 2289 CD2 PHE A 314 43.066 -4.289 46.450 1.00 9.28 C ANISOU 2289 CD2 PHE A 314 937 836 1753 196 85 20 C ATOM 2290 CE1 PHE A 314 42.354 -6.705 47.583 1.00 11.87 C ANISOU 2290 CE1 PHE A 314 1266 1016 2229 205 -12 44 C ATOM 2291 CE2 PHE A 314 43.909 -4.906 47.359 1.00 9.65 C ANISOU 2291 CE2 PHE A 314 954 846 1868 199 45 62 C ATOM 2292 CZ PHE A 314 43.552 -6.111 47.926 1.00 10.10 C ANISOU 2292 CZ PHE A 314 1011 830 1996 204 -3 75 C ATOM 0 H PHE A 314 39.624 -2.399 43.995 1.00 7.96 H new ATOM 0 HA PHE A 314 39.344 -3.867 46.288 1.00 8.22 H new ATOM 0 HB2 PHE A 314 40.518 -4.876 44.569 1.00 8.84 H new ATOM 0 HB3 PHE A 314 41.499 -3.666 44.498 1.00 8.84 H new ATOM 0 HD1 PHE A 314 40.700 -6.479 46.442 1.00 13.94 H new ATOM 0 HD2 PHE A 314 43.314 -3.477 46.071 1.00 9.28 H new ATOM 0 HE1 PHE A 314 42.112 -7.520 47.960 1.00 11.87 H new ATOM 0 HE2 PHE A 314 44.717 -4.507 47.587 1.00 9.65 H new ATOM 0 HZ PHE A 314 44.117 -6.523 48.539 1.00 10.10 H new ATOM 2293 N VAL A 315 40.277 -2.092 47.810 1.00 7.92 N ANISOU 2293 N VAL A 315 892 701 1418 79 87 91 N ATOM 2294 CA VAL A 315 40.640 -0.909 48.580 1.00 7.59 C ANISOU 2294 CA VAL A 315 858 689 1335 47 82 128 C ATOM 2295 C VAL A 315 41.595 -1.278 49.708 1.00 8.09 C ANISOU 2295 C VAL A 315 897 739 1436 37 43 174 C ATOM 2296 O VAL A 315 41.300 -2.153 50.529 1.00 8.43 O ANISOU 2296 O VAL A 315 942 756 1506 31 10 205 O ATOM 2297 CB VAL A 315 39.393 -0.201 49.156 1.00 9.33 C ANISOU 2297 CB VAL A 315 1124 923 1498 17 80 137 C ATOM 2298 CG1 VAL A 315 39.773 1.145 49.772 1.00 10.97 C ANISOU 2298 CG1 VAL A 315 1341 1158 1668 -9 73 154 C ATOM 2299 CG2 VAL A 315 38.346 0.010 48.060 1.00 6.93 C ANISOU 2299 CG2 VAL A 315 841 627 1165 27 112 96 C ATOM 0 H VAL A 315 39.895 -2.716 48.263 1.00 7.92 H new ATOM 0 HA VAL A 315 41.083 -0.293 47.976 1.00 7.59 H new ATOM 0 HB VAL A 315 39.018 -0.767 49.849 1.00 9.33 H new ATOM 0 HG11 VAL A 315 38.979 1.574 50.128 1.00 10.97 H new ATOM 0 HG12 VAL A 315 40.412 1.005 50.488 1.00 10.97 H new ATOM 0 HG13 VAL A 315 40.169 1.712 49.092 1.00 10.97 H new ATOM 0 HG21 VAL A 315 37.570 0.455 48.435 1.00 6.93 H new ATOM 0 HG22 VAL A 315 38.722 0.558 47.354 1.00 6.93 H new ATOM 0 HG23 VAL A 315 38.081 -0.849 47.695 1.00 6.93 H new ATOM 2300 N VAL A 316 42.739 -0.601 49.724 1.00 8.04 N ANISOU 2300 N VAL A 316 863 756 1435 34 44 187 N ATOM 2301 CA VAL A 316 43.774 -0.817 50.726 1.00 8.39 C ANISOU 2301 CA VAL A 316 879 794 1513 24 4 231 C ATOM 2302 C VAL A 316 43.725 0.295 51.765 1.00 8.24 C ANISOU 2302 C VAL A 316 885 802 1445 -17 -21 255 C ATOM 2303 O VAL A 316 43.855 1.474 51.440 1.00 8.09 O ANISOU 2303 O VAL A 316 873 803 1398 -31 -9 242 O ATOM 2304 CB VAL A 316 45.179 -0.809 50.102 1.00 8.77 C ANISOU 2304 CB VAL A 316 871 854 1606 46 16 229 C ATOM 2305 CG1 VAL A 316 46.251 -0.959 51.199 1.00 9.15 C ANISOU 2305 CG1 VAL A 316 888 899 1691 33 -32 279 C ATOM 2306 CG2 VAL A 316 45.303 -1.904 49.068 1.00 11.73 C ANISOU 2306 CG2 VAL A 316 1218 1212 2029 97 40 188 C ATOM 0 H VAL A 316 42.937 0.004 49.146 1.00 8.04 H new ATOM 0 HA VAL A 316 43.606 -1.683 51.129 1.00 8.39 H new ATOM 0 HB VAL A 316 45.319 0.041 49.656 1.00 8.77 H new ATOM 0 HG11 VAL A 316 47.132 -0.953 50.794 1.00 9.15 H new ATOM 0 HG12 VAL A 316 46.178 -0.222 51.826 1.00 9.15 H new ATOM 0 HG13 VAL A 316 46.118 -1.797 51.669 1.00 9.15 H new ATOM 0 HG21 VAL A 316 46.193 -1.887 48.683 1.00 11.73 H new ATOM 0 HG22 VAL A 316 45.149 -2.765 49.488 1.00 11.73 H new ATOM 0 HG23 VAL A 316 44.646 -1.764 48.368 1.00 11.73 H new ATOM 2307 N PHE A 317 43.529 -0.094 53.014 1.00 10.13 N ANISOU 2307 N PHE A 317 1134 1041 1673 -34 -61 291 N ATOM 2308 CA PHE A 317 43.596 0.840 54.122 1.00 8.44 C ANISOU 2308 CA PHE A 317 938 860 1409 -66 -94 306 C ATOM 2309 C PHE A 317 44.966 0.643 54.760 1.00 8.92 C ANISOU 2309 C PHE A 317 957 923 1510 -72 -135 344 C ATOM 2310 O PHE A 317 45.189 -0.298 55.525 1.00 9.27 O ANISOU 2310 O PHE A 317 984 963 1576 -72 -169 388 O ATOM 2311 CB PHE A 317 42.453 0.581 55.114 1.00 8.42 C ANISOU 2311 CB PHE A 317 968 880 1351 -80 -109 321 C ATOM 2312 CG PHE A 317 41.082 0.833 54.537 1.00 11.21 C ANISOU 2312 CG PHE A 317 1358 1236 1667 -74 -70 286 C ATOM 2313 CD1 PHE A 317 40.493 -0.089 53.679 1.00 10.35 C ANISOU 2313 CD1 PHE A 317 1246 1094 1592 -56 -44 279 C ATOM 2314 CD2 PHE A 317 40.381 1.991 54.847 1.00 10.45 C ANISOU 2314 CD2 PHE A 317 1295 1170 1505 -86 -65 254 C ATOM 2315 CE1 PHE A 317 39.240 0.137 53.136 1.00 10.59 C ANISOU 2315 CE1 PHE A 317 1306 1129 1590 -53 -13 248 C ATOM 2316 CE2 PHE A 317 39.125 2.227 54.316 1.00 10.23 C ANISOU 2316 CE2 PHE A 317 1296 1145 1448 -79 -32 224 C ATOM 2317 CZ PHE A 317 38.545 1.295 53.454 1.00 7.89 C ANISOU 2317 CZ PHE A 317 995 821 1183 -64 -5 225 C ATOM 0 H PHE A 317 43.354 -0.904 53.243 1.00 10.13 H new ATOM 0 HA PHE A 317 43.490 1.758 53.829 1.00 8.44 H new ATOM 0 HB2 PHE A 317 42.503 -0.338 55.420 1.00 8.42 H new ATOM 0 HB3 PHE A 317 42.577 1.146 55.893 1.00 8.42 H new ATOM 0 HD1 PHE A 317 40.949 -0.871 53.466 1.00 10.35 H new ATOM 0 HD2 PHE A 317 40.761 2.617 55.420 1.00 10.45 H new ATOM 0 HE1 PHE A 317 38.864 -0.487 52.558 1.00 10.59 H new ATOM 0 HE2 PHE A 317 38.667 3.007 54.534 1.00 10.23 H new ATOM 0 HZ PHE A 317 37.701 1.449 53.096 1.00 7.89 H new ATOM 2318 N ASN A 318 45.889 1.523 54.392 1.00 9.00 N ANISOU 2318 N ASN A 318 946 939 1537 -80 -136 335 N ATOM 2319 CA ASN A 318 47.270 1.435 54.839 1.00 9.49 C ANISOU 2319 CA ASN A 318 959 1004 1644 -86 -174 370 C ATOM 2320 C ASN A 318 47.485 2.193 56.148 1.00 9.99 C ANISOU 2320 C ASN A 318 1036 1094 1664 -121 -231 382 C ATOM 2321 O ASN A 318 47.499 3.422 56.162 1.00 12.35 O ANISOU 2321 O ASN A 318 1352 1401 1939 -143 -240 354 O ATOM 2322 CB ASN A 318 48.199 1.978 53.754 1.00 9.58 C ANISOU 2322 CB ASN A 318 928 1014 1698 -80 -146 361 C ATOM 2323 CG ASN A 318 49.639 2.094 54.229 1.00 15.38 C ANISOU 2323 CG ASN A 318 1607 1757 2480 -92 -187 400 C ATOM 2324 OD1 ASN A 318 50.065 1.360 55.121 1.00 12.93 O ANISOU 2324 OD1 ASN A 318 1279 1445 2188 -91 -229 434 O ATOM 2325 ND2 ASN A 318 50.386 3.031 53.653 1.00 19.51 N ANISOU 2325 ND2 ASN A 318 2098 2291 3025 -108 -180 403 N ATOM 0 H ASN A 318 45.730 2.191 53.874 1.00 9.00 H new ATOM 0 HA ASN A 318 47.476 0.501 55.003 1.00 9.49 H new ATOM 0 HB2 ASN A 318 48.163 1.396 52.979 1.00 9.58 H new ATOM 0 HB3 ASN A 318 47.884 2.850 53.469 1.00 9.58 H new ATOM 0 HD21 ASN A 318 51.202 3.143 53.901 1.00 19.51 H new ATOM 0 HD22 ASN A 318 50.053 3.525 53.033 1.00 19.51 H new ATOM 2326 N GLY A 319 47.664 1.448 57.235 1.00 13.27 N ANISOU 2326 N GLY A 319 1444 1525 2074 -126 -274 424 N ATOM 2327 CA GLY A 319 47.808 2.031 58.560 1.00 11.07 C ANISOU 2327 CA GLY A 319 1179 1289 1740 -155 -332 432 C ATOM 2328 C GLY A 319 49.252 2.189 59.003 1.00 13.97 C ANISOU 2328 C GLY A 319 1497 1660 2150 -170 -385 463 C ATOM 2329 O GLY A 319 49.565 2.096 60.193 1.00 18.57 O ANISOU 2329 O GLY A 319 2075 2280 2701 -188 -443 492 O ATOM 0 H GLY A 319 47.705 0.589 57.222 1.00 13.27 H new ATOM 0 HA2 GLY A 319 47.378 2.900 58.571 1.00 11.07 H new ATOM 0 HA3 GLY A 319 47.340 1.475 59.202 1.00 11.07 H new ATOM 2330 N ALA A 320 50.138 2.437 58.046 1.00 13.18 N ANISOU 2330 N ALA A 320 1356 1532 2120 -164 -365 461 N ATOM 2331 CA ALA A 320 51.513 2.823 58.376 1.00 22.52 C ANISOU 2331 CA ALA A 320 2488 2720 3348 -184 -414 488 C ATOM 2332 C ALA A 320 51.524 4.133 59.166 1.00 22.11 C ANISOU 2332 C ALA A 320 2465 2688 3248 -223 -467 456 C ATOM 2333 O ALA A 320 50.483 4.770 59.327 1.00 15.07 O ANISOU 2333 O ALA A 320 1630 1804 2293 -228 -458 407 O ATOM 2334 CB ALA A 320 52.339 2.956 57.116 1.00 20.18 C ANISOU 2334 CB ALA A 320 2138 2402 3127 -172 -374 492 C ATOM 0 H ALA A 320 49.969 2.389 57.204 1.00 13.18 H new ATOM 0 HA ALA A 320 51.905 2.129 58.928 1.00 22.52 H new ATOM 0 HB1 ALA A 320 53.245 3.211 57.349 1.00 20.18 H new ATOM 0 HB2 ALA A 320 52.353 2.107 56.647 1.00 20.18 H new ATOM 0 HB3 ALA A 320 51.949 3.635 56.543 1.00 20.18 H new ATOM 2335 N THR A 321 52.702 4.527 59.656 1.00 20.18 N ANISOU 2335 N THR A 321 2177 2450 3039 -248 -527 478 N ATOM 2336 CA THR A 321 52.843 5.731 60.481 1.00 18.26 C ANISOU 2336 CA THR A 321 1956 2220 2762 -285 -594 441 C ATOM 2337 C THR A 321 52.175 6.943 59.839 1.00 21.42 C ANISOU 2337 C THR A 321 2396 2590 3154 -295 -571 381 C ATOM 2338 O THR A 321 51.495 7.717 60.511 1.00 23.87 O ANISOU 2338 O THR A 321 2756 2910 3404 -305 -604 323 O ATOM 2339 CB THR A 321 54.328 6.039 60.764 1.00 22.44 C ANISOU 2339 CB THR A 321 2421 2747 3357 -314 -658 476 C ATOM 2340 OG1 THR A 321 54.921 4.921 61.435 1.00 32.51 O ANISOU 2340 OG1 THR A 321 3660 4051 4640 -303 -687 535 O ATOM 2341 CG2 THR A 321 54.464 7.281 61.633 1.00 33.64 C ANISOU 2341 CG2 THR A 321 3864 4172 4747 -352 -739 427 C ATOM 0 H THR A 321 53.439 4.106 59.520 1.00 20.18 H new ATOM 0 HA THR A 321 52.393 5.549 61.321 1.00 18.26 H new ATOM 0 HB THR A 321 54.780 6.201 59.921 1.00 22.44 H new ATOM 0 HG1 THR A 321 55.352 4.458 60.882 1.00 32.51 H new ATOM 0 HG21 THR A 321 55.403 7.458 61.800 1.00 33.64 H new ATOM 0 HG22 THR A 321 54.068 8.040 61.177 1.00 33.64 H new ATOM 0 HG23 THR A 321 54.008 7.137 62.477 1.00 33.64 H new ATOM 2342 N THR A 322 52.371 7.097 58.535 1.00 15.65 N ANISOU 2342 N THR A 322 1638 1826 2484 -290 -516 396 N ATOM 2343 CA THR A 322 51.569 8.030 57.749 1.00 11.77 C ANISOU 2343 CA THR A 322 1182 1305 1985 -294 -482 354 C ATOM 2344 C THR A 322 50.570 7.213 56.928 1.00 11.83 C ANISOU 2344 C THR A 322 1214 1316 1965 -255 -399 351 C ATOM 2345 O THR A 322 50.952 6.545 55.966 1.00 14.41 O ANISOU 2345 O THR A 322 1500 1642 2334 -235 -348 384 O ATOM 2346 CB THR A 322 52.434 8.883 56.813 1.00 23.59 C ANISOU 2346 CB THR A 322 2628 2771 3563 -322 -481 383 C ATOM 2347 OG1 THR A 322 53.314 9.709 57.593 1.00 19.71 O ANISOU 2347 OG1 THR A 322 2114 2267 3107 -364 -568 383 O ATOM 2348 CG2 THR A 322 51.554 9.776 55.947 1.00 24.24 C ANISOU 2348 CG2 THR A 322 2745 2823 3642 -325 -446 353 C ATOM 0 H THR A 322 52.965 6.670 58.084 1.00 15.65 H new ATOM 0 HA THR A 322 51.114 8.640 58.351 1.00 11.77 H new ATOM 0 HB THR A 322 52.951 8.293 56.242 1.00 23.59 H new ATOM 0 HG1 THR A 322 54.064 9.336 57.658 1.00 19.71 H new ATOM 0 HG21 THR A 322 52.112 10.310 55.360 1.00 24.24 H new ATOM 0 HG22 THR A 322 50.959 9.225 55.414 1.00 24.24 H new ATOM 0 HG23 THR A 322 51.029 10.362 56.515 1.00 24.24 H new ATOM 2349 N PRO A 323 49.287 7.236 57.324 1.00 15.77 N ANISOU 2349 N PRO A 323 1775 1824 2392 -241 -387 306 N ATOM 2350 CA PRO A 323 48.315 6.395 56.610 1.00 15.18 C ANISOU 2350 CA PRO A 323 1722 1752 2295 -208 -317 305 C ATOM 2351 C PRO A 323 48.025 6.882 55.199 1.00 14.80 C ANISOU 2351 C PRO A 323 1671 1679 2274 -202 -262 296 C ATOM 2352 O PRO A 323 48.110 8.080 54.922 1.00 11.14 O ANISOU 2352 O PRO A 323 1211 1194 1829 -225 -278 282 O ATOM 2353 CB PRO A 323 47.047 6.497 57.470 1.00 12.52 C ANISOU 2353 CB PRO A 323 1444 1439 1874 -201 -325 263 C ATOM 2354 CG PRO A 323 47.524 6.937 58.815 1.00 28.65 C ANISOU 2354 CG PRO A 323 3489 3509 3886 -222 -400 252 C ATOM 2355 CD PRO A 323 48.727 7.803 58.562 1.00 26.63 C ANISOU 2355 CD PRO A 323 3196 3221 3699 -251 -441 259 C ATOM 0 HA PRO A 323 48.650 5.491 56.499 1.00 15.18 H new ATOM 0 HB2 PRO A 323 46.419 7.134 57.095 1.00 12.52 H new ATOM 0 HB3 PRO A 323 46.589 5.644 57.522 1.00 12.52 H new ATOM 0 HG2 PRO A 323 46.833 7.430 59.285 1.00 28.65 H new ATOM 0 HG3 PRO A 323 47.755 6.175 59.369 1.00 28.65 H new ATOM 0 HD2 PRO A 323 48.482 8.735 58.452 1.00 26.63 H new ATOM 0 HD3 PRO A 323 49.361 7.761 59.295 1.00 26.63 H new ATOM 2356 N THR A 324 47.710 5.939 54.314 1.00 11.61 N ANISOU 2356 N THR A 324 1258 1278 1877 -171 -202 307 N ATOM 2357 CA THR A 324 47.270 6.251 52.959 1.00 9.15 C ANISOU 2357 CA THR A 324 946 958 1571 -160 -145 297 C ATOM 2358 C THR A 324 46.169 5.271 52.579 1.00 10.11 C ANISOU 2358 C THR A 324 1098 1084 1659 -126 -99 277 C ATOM 2359 O THR A 324 45.928 4.285 53.291 1.00 10.96 O ANISOU 2359 O THR A 324 1214 1195 1755 -114 -111 283 O ATOM 2360 CB THR A 324 48.407 6.126 51.914 1.00 11.49 C ANISOU 2360 CB THR A 324 1175 1266 1924 -155 -116 334 C ATOM 2361 OG1 THR A 324 48.836 4.762 51.827 1.00 10.21 O ANISOU 2361 OG1 THR A 324 981 1115 1784 -121 -98 346 O ATOM 2362 CG2 THR A 324 49.596 7.028 52.268 1.00 13.44 C ANISOU 2362 CG2 THR A 324 1379 1509 2218 -194 -165 367 C ATOM 0 H THR A 324 47.746 5.097 54.485 1.00 11.61 H new ATOM 0 HA THR A 324 46.964 7.171 52.954 1.00 9.15 H new ATOM 0 HB THR A 324 48.060 6.414 51.055 1.00 11.49 H new ATOM 0 HG1 THR A 324 49.451 4.697 51.259 1.00 10.21 H new ATOM 0 HG21 THR A 324 50.289 6.928 51.597 1.00 13.44 H new ATOM 0 HG22 THR A 324 49.304 7.953 52.295 1.00 13.44 H new ATOM 0 HG23 THR A 324 49.947 6.775 53.136 1.00 13.44 H new ATOM 2363 N LEU A 325 45.516 5.542 51.452 1.00 8.92 N ANISOU 2363 N LEU A 325 959 933 1498 -115 -52 259 N ATOM 2364 CA LEU A 325 44.464 4.687 50.918 1.00 9.59 C ANISOU 2364 CA LEU A 325 1068 1018 1557 -85 -11 236 C ATOM 2365 C LEU A 325 44.865 4.288 49.511 1.00 13.22 C ANISOU 2365 C LEU A 325 1489 1492 2039 -60 38 237 C ATOM 2366 O LEU A 325 45.350 5.118 48.752 1.00 12.11 O ANISOU 2366 O LEU A 325 1324 1369 1908 -72 54 252 O ATOM 2367 CB LEU A 325 43.150 5.461 50.811 1.00 8.28 C ANISOU 2367 CB LEU A 325 953 848 1344 -92 -1 205 C ATOM 2368 CG LEU A 325 42.070 5.375 51.886 1.00 18.29 C ANISOU 2368 CG LEU A 325 2267 2118 2564 -94 -21 185 C ATOM 2369 CD1 LEU A 325 40.925 6.305 51.499 1.00 14.92 C ANISOU 2369 CD1 LEU A 325 1877 1687 2104 -94 -6 153 C ATOM 2370 CD2 LEU A 325 41.579 3.945 52.065 1.00 10.16 C ANISOU 2370 CD2 LEU A 325 1238 1091 1530 -75 -9 193 C ATOM 0 H LEU A 325 45.675 6.237 50.971 1.00 8.92 H new ATOM 0 HA LEU A 325 44.347 3.921 51.501 1.00 9.59 H new ATOM 0 HB2 LEU A 325 43.384 6.398 50.724 1.00 8.28 H new ATOM 0 HB3 LEU A 325 42.735 5.194 49.976 1.00 8.28 H new ATOM 0 HG LEU A 325 42.441 5.652 52.738 1.00 18.29 H new ATOM 0 HD11 LEU A 325 40.230 6.261 52.174 1.00 14.92 H new ATOM 0 HD12 LEU A 325 41.255 7.215 51.434 1.00 14.92 H new ATOM 0 HD13 LEU A 325 40.561 6.031 50.642 1.00 14.92 H new ATOM 0 HD21 LEU A 325 40.895 3.921 52.753 1.00 10.16 H new ATOM 0 HD22 LEU A 325 41.208 3.623 51.229 1.00 10.16 H new ATOM 0 HD23 LEU A 325 42.321 3.378 52.328 1.00 10.16 H new ATOM 2371 N GLY A 326 44.649 3.028 49.156 1.00 9.80 N ANISOU 2371 N GLY A 326 1050 1057 1617 -25 60 221 N ATOM 2372 CA GLY A 326 44.916 2.584 47.800 1.00 8.29 C ANISOU 2372 CA GLY A 326 825 890 1437 8 107 203 C ATOM 2373 C GLY A 326 43.647 2.067 47.141 1.00 9.40 C ANISOU 2373 C GLY A 326 1001 1024 1546 30 134 160 C ATOM 2374 O GLY A 326 42.833 1.425 47.798 1.00 8.57 O ANISOU 2374 O GLY A 326 929 888 1439 31 114 151 O ATOM 0 H GLY A 326 44.350 2.419 49.684 1.00 9.80 H new ATOM 0 HA2 GLY A 326 45.279 3.318 47.280 1.00 8.29 H new ATOM 0 HA3 GLY A 326 45.588 1.884 47.811 1.00 8.29 H new ATOM 2375 N PHE A 327 43.482 2.354 45.850 1.00 7.98 N ANISOU 2375 N PHE A 327 811 881 1341 46 176 141 N ATOM 2376 CA PHE A 327 42.359 1.839 45.068 1.00 7.80 C ANISOU 2376 CA PHE A 327 816 860 1289 69 200 96 C ATOM 2377 C PHE A 327 42.862 1.161 43.805 1.00 10.13 C ANISOU 2377 C PHE A 327 1068 1196 1586 115 237 59 C ATOM 2378 O PHE A 327 43.705 1.708 43.089 1.00 9.04 O ANISOU 2378 O PHE A 327 885 1113 1435 119 265 77 O ATOM 2379 CB PHE A 327 41.414 2.971 44.619 1.00 7.47 C ANISOU 2379 CB PHE A 327 809 835 1196 46 213 101 C ATOM 2380 CG PHE A 327 40.674 3.658 45.734 1.00 7.10 C ANISOU 2380 CG PHE A 327 806 753 1138 12 180 117 C ATOM 2381 CD1 PHE A 327 41.290 4.644 46.494 1.00 8.51 C ANISOU 2381 CD1 PHE A 327 981 924 1328 -20 153 150 C ATOM 2382 CD2 PHE A 327 39.337 3.352 45.991 1.00 9.25 C ANISOU 2382 CD2 PHE A 327 1121 1007 1387 13 176 94 C ATOM 2383 CE1 PHE A 327 40.611 5.293 47.509 1.00 13.43 C ANISOU 2383 CE1 PHE A 327 1643 1523 1935 -42 122 149 C ATOM 2384 CE2 PHE A 327 38.649 4.000 47.004 1.00 10.53 C ANISOU 2384 CE2 PHE A 327 1317 1152 1530 -11 151 102 C ATOM 2385 CZ PHE A 327 39.286 4.973 47.766 1.00 9.72 C ANISOU 2385 CZ PHE A 327 1213 1045 1435 -35 124 124 C ATOM 0 H PHE A 327 44.020 2.854 45.402 1.00 7.98 H new ATOM 0 HA PHE A 327 41.886 1.215 45.641 1.00 7.80 H new ATOM 0 HB2 PHE A 327 41.931 3.634 44.135 1.00 7.47 H new ATOM 0 HB3 PHE A 327 40.767 2.606 43.995 1.00 7.47 H new ATOM 0 HD1 PHE A 327 42.174 4.872 46.317 1.00 8.51 H new ATOM 0 HD2 PHE A 327 38.904 2.708 45.478 1.00 9.25 H new ATOM 0 HE1 PHE A 327 41.041 5.942 48.018 1.00 13.43 H new ATOM 0 HE2 PHE A 327 37.761 3.784 47.174 1.00 10.53 H new ATOM 0 HZ PHE A 327 38.825 5.408 48.446 1.00 9.72 H new ATOM 2386 N ALA A 328 42.328 -0.020 43.520 1.00 9.62 N ANISOU 2386 N ALA A 328 1013 1107 1537 150 235 6 N ATOM 2387 CA ALA A 328 42.603 -0.711 42.265 1.00 8.86 C ANISOU 2387 CA ALA A 328 881 1051 1433 203 267 -52 C ATOM 2388 C ALA A 328 41.273 -1.145 41.666 1.00 11.14 C ANISOU 2388 C ALA A 328 1211 1329 1695 214 268 -105 C ATOM 2389 O ALA A 328 40.311 -1.391 42.390 1.00 8.81 O ANISOU 2389 O ALA A 328 958 976 1414 191 237 -99 O ATOM 2390 CB ALA A 328 43.484 -1.934 42.504 1.00 9.39 C ANISOU 2390 CB ALA A 328 908 1087 1573 246 251 -81 C ATOM 0 H ALA A 328 41.797 -0.444 44.047 1.00 9.62 H new ATOM 0 HA ALA A 328 43.074 -0.116 41.660 1.00 8.86 H new ATOM 0 HB1 ALA A 328 43.656 -2.379 41.660 1.00 9.39 H new ATOM 0 HB2 ALA A 328 44.325 -1.655 42.899 1.00 9.39 H new ATOM 0 HB3 ALA A 328 43.032 -2.546 43.106 1.00 9.39 H new ATOM 2391 N SER A 329 41.218 -1.240 40.344 1.00 9.78 N ANISOU 2391 N SER A 329 1019 1218 1477 250 303 -156 N ATOM 2392 CA SER A 329 40.076 -1.855 39.689 1.00 9.45 C ANISOU 2392 CA SER A 329 1008 1166 1417 269 296 -220 C ATOM 2393 C SER A 329 40.157 -3.357 39.909 1.00 9.53 C ANISOU 2393 C SER A 329 1009 1107 1504 309 262 -281 C ATOM 2394 O SER A 329 41.201 -3.877 40.301 1.00 13.05 O ANISOU 2394 O SER A 329 1418 1533 2008 332 254 -280 O ATOM 2395 CB SER A 329 40.086 -1.523 38.200 1.00 16.26 C ANISOU 2395 CB SER A 329 1848 2129 2201 298 340 -259 C ATOM 2396 OG SER A 329 39.851 -0.134 38.020 1.00 16.07 O ANISOU 2396 OG SER A 329 1834 2154 2117 255 361 -190 O ATOM 0 H SER A 329 41.830 -0.955 39.811 1.00 9.78 H new ATOM 0 HA SER A 329 39.248 -1.515 40.062 1.00 9.45 H new ATOM 0 HB2 SER A 329 40.939 -1.769 37.810 1.00 16.26 H new ATOM 0 HB3 SER A 329 39.405 -2.038 37.740 1.00 16.26 H new ATOM 0 HG SER A 329 40.546 0.295 38.214 1.00 16.07 H new ATOM 2397 N LYS A 330 39.064 -4.064 39.650 1.00 9.56 N ANISOU 2397 N LYS A 330 1043 1069 1520 316 236 -332 N ATOM 2398 CA LYS A 330 39.053 -5.504 39.869 1.00 14.76 C ANISOU 2398 CA LYS A 330 1694 1644 2269 348 191 -387 C ATOM 2399 C LYS A 330 38.060 -6.210 38.957 1.00 16.48 C ANISOU 2399 C LYS A 330 1929 1850 2483 373 173 -474 C ATOM 2400 O LYS A 330 37.402 -5.587 38.122 1.00 15.15 O ANISOU 2400 O LYS A 330 1777 1747 2232 368 198 -492 O ATOM 2401 CB LYS A 330 38.734 -5.810 41.336 1.00 14.15 C ANISOU 2401 CB LYS A 330 1639 1478 2262 303 145 -315 C ATOM 2402 CG LYS A 330 37.342 -5.389 41.756 1.00 12.65 C ANISOU 2402 CG LYS A 330 1495 1271 2040 251 133 -275 C ATOM 2403 CD LYS A 330 37.164 -5.481 43.269 1.00 12.48 C ANISOU 2403 CD LYS A 330 1486 1194 2061 205 99 -191 C ATOM 2404 CE LYS A 330 35.716 -5.154 43.659 1.00 10.17 C ANISOU 2404 CE LYS A 330 1232 895 1738 161 89 -158 C ATOM 2405 NZ LYS A 330 35.500 -5.192 45.149 1.00 8.75 N ANISOU 2405 NZ LYS A 330 1060 685 1581 118 62 -74 N ATOM 2406 OXT LYS A 330 37.911 -7.430 39.043 1.00 17.24 O ANISOU 2406 OXT LYS A 330 2020 1866 2665 399 126 -527 O ATOM 0 H LYS A 330 38.328 -3.735 39.351 1.00 9.56 H new ATOM 0 HA LYS A 330 39.937 -5.841 39.654 1.00 14.76 H new ATOM 0 HB2 LYS A 330 38.835 -6.763 41.489 1.00 14.15 H new ATOM 0 HB3 LYS A 330 39.383 -5.362 41.900 1.00 14.15 H new ATOM 0 HG2 LYS A 330 37.176 -4.479 41.464 1.00 12.65 H new ATOM 0 HG3 LYS A 330 36.686 -5.952 41.317 1.00 12.65 H new ATOM 0 HD2 LYS A 330 37.394 -6.373 43.574 1.00 12.48 H new ATOM 0 HD3 LYS A 330 37.771 -4.866 43.710 1.00 12.48 H new ATOM 0 HE2 LYS A 330 35.484 -4.274 43.324 1.00 10.17 H new ATOM 0 HE3 LYS A 330 35.118 -5.787 43.232 1.00 10.17 H new ATOM 0 HZ1 LYS A 330 34.632 -5.288 45.321 1.00 8.75 H new ATOM 0 HZ2 LYS A 330 35.949 -5.877 45.497 1.00 8.75 H new ATOM 0 HZ3 LYS A 330 35.791 -4.433 45.511 1.00 8.75 H new TER 2407 LYS A 330 HETATM 2408 C18 1TZ A 401 25.699 7.610 56.971 0.82 18.38 C ANISOU 2408 C18 1TZ A 401 2308 2201 2475 721 367 820 C HETATM 2409 C01 1TZ A 401 24.717 8.772 56.906 0.82 18.82 C ANISOU 2409 C01 1TZ A 401 2323 2266 2564 715 414 887 C HETATM 2410 C02 1TZ A 401 25.040 10.015 57.500 0.82 19.19 C ANISOU 2410 C02 1TZ A 401 2345 2286 2659 669 536 991 C HETATM 2411 C03 1TZ A 401 26.375 10.318 58.220 0.82 19.05 C ANISOU 2411 C03 1TZ A 401 2225 2279 2736 628 661 999 C HETATM 2412 C04 1TZ A 401 24.124 11.068 57.438 0.82 19.64 C ANISOU 2412 C04 1TZ A 401 2386 2314 2760 755 521 1021 C HETATM 2413 C05 1TZ A 401 22.890 10.919 56.812 0.82 20.50 C ANISOU 2413 C05 1TZ A 401 2461 2350 2977 701 621 947 C HETATM 2414 C06 1TZ A 401 21.900 12.091 56.751 0.82 21.23 C ANISOU 2414 C06 1TZ A 401 2462 2406 3200 713 628 860 C HETATM 2415 C07 1TZ A 401 22.568 9.694 56.230 0.82 20.10 C ANISOU 2415 C07 1TZ A 401 2473 2339 2827 706 483 966 C HETATM 2416 C08 1TZ A 401 23.462 8.619 56.269 0.82 19.58 C ANISOU 2416 C08 1TZ A 401 2450 2318 2672 731 376 864 C HETATM 2417 C09 1TZ A 401 22.993 7.311 55.598 0.82 19.53 C ANISOU 2417 C09 1TZ A 401 2490 2345 2585 707 183 822 C HETATM 2418 N24 1TZ A 401 26.092 7.162 58.094 0.82 18.15 N ANISOU 2418 N24 1TZ A 401 2222 2166 2509 723 351 679 N HETATM 2419 N01 1TZ A 401 26.801 5.918 58.178 0.82 16.80 N ANISOU 2419 N01 1TZ A 401 2089 2006 2287 795 130 616 N HETATM 2420 C23 1TZ A 401 27.460 5.581 59.302 0.82 15.99 C ANISOU 2420 C23 1TZ A 401 1997 1955 2122 599 78 270 C HETATM 2421 O23 1TZ A 401 27.487 6.291 60.309 0.82 16.29 O ANISOU 2421 O23 1TZ A 401 2134 1928 2127 544 147 219 O HETATM 2422 C11 1TZ A 401 28.177 4.256 59.280 0.82 13.53 C ANISOU 2422 C11 1TZ A 401 1457 1793 1890 619 -273 125 C HETATM 2423 N22 1TZ A 401 29.646 4.487 59.304 0.82 12.45 N ANISOU 2423 N22 1TZ A 401 1087 1647 1997 505 -547 171 N HETATM 2424 C10 1TZ A 401 27.706 3.293 60.413 0.82 13.45 C ANISOU 2424 C10 1TZ A 401 1424 1807 1880 548 -271 -75 C HETATM 2425 C12 1TZ A 401 26.203 3.161 60.565 0.82 13.52 C ANISOU 2425 C12 1TZ A 401 1480 1831 1828 613 -263 -168 C HETATM 2426 C2 1TZ A 401 25.313 4.111 60.919 0.82 13.89 C ANISOU 2426 C2 1TZ A 401 1607 1844 1828 560 -177 -221 C HETATM 2427 N23 1TZ A 401 24.100 3.611 60.949 0.82 14.30 N ANISOU 2427 N23 1TZ A 401 1742 1852 1839 612 -90 -138 N HETATM 2428 C13 1TZ A 401 24.109 2.298 60.628 0.82 14.42 C ANISOU 2428 C13 1TZ A 401 1773 1817 1891 593 -67 -112 C HETATM 2429 C14 1TZ A 401 23.039 1.404 60.545 0.82 14.06 C ANISOU 2429 C14 1TZ A 401 1750 1823 1770 634 -83 -22 C HETATM 2430 C15 1TZ A 401 23.322 0.076 60.183 0.82 13.61 C ANISOU 2430 C15 1TZ A 401 1759 1822 1589 636 -118 -18 C HETATM 2431 C16 1TZ A 401 24.643 -0.331 59.914 0.82 13.42 C ANISOU 2431 C16 1TZ A 401 1658 1803 1637 627 -111 -84 C HETATM 2432 C17 1TZ A 401 25.710 0.582 59.998 0.82 14.17 C ANISOU 2432 C17 1TZ A 401 1698 1795 1889 643 30 -129 C HETATM 2433 C 1TZ A 401 25.408 1.896 60.359 0.82 14.12 C ANISOU 2433 C 1TZ A 401 1620 1789 1956 665 -60 -110 C HETATM 2434 C1 GOL A 402 33.318 -3.128 38.124 1.00 20.14 C ANISOU 2434 C1 GOL A 402 2452 2570 2630 41 543 -347 C HETATM 2435 O1 GOL A 402 33.596 -3.770 36.894 1.00 20.56 O ANISOU 2435 O1 GOL A 402 2535 2616 2662 49 552 -360 O HETATM 2436 C2 GOL A 402 34.446 -2.148 38.433 1.00 18.95 C ANISOU 2436 C2 GOL A 402 2249 2423 2530 143 412 -178 C HETATM 2437 O2 GOL A 402 34.594 -1.238 37.364 1.00 18.59 O ANISOU 2437 O2 GOL A 402 2180 2324 2559 128 686 -107 O HETATM 2438 C3 GOL A 402 35.747 -2.928 38.609 1.00 17.55 C ANISOU 2438 C3 GOL A 402 1940 2336 2394 334 181 -57 C HETATM 2439 O3 GOL A 402 36.786 -2.080 39.057 1.00 15.52 O ANISOU 2439 O3 GOL A 402 1577 2341 1978 281 -344 -109 O HETATM 0 HO3 GOL A 402 36.595 -1.780 39.818 1.00 15.52 H new HETATM 0 HO2 GOL A 402 34.221 -0.511 37.561 1.00 18.59 H new HETATM 0 HO1 GOL A 402 33.996 -3.236 36.383 1.00 20.56 H new HETATM 0 H32 GOL A 402 35.614 -3.647 39.246 1.00 17.55 H new HETATM 0 H31 GOL A 402 35.999 -3.338 37.767 1.00 17.55 H new HETATM 0 H2 GOL A 402 34.237 -1.659 39.245 1.00 18.95 H new HETATM 0 H12 GOL A 402 32.470 -2.659 38.074 1.00 20.14 H new HETATM 0 H11 GOL A 402 33.238 -3.783 38.835 1.00 20.14 H new HETATM 2440 C1 GOL A 403 41.891 14.738 52.429 0.88 37.81 C ANISOU 2440 C1 GOL A 403 3898 4549 5921 -133 -1404 2283 C HETATM 2441 O1 GOL A 403 41.280 15.586 53.376 0.88 37.28 O ANISOU 2441 O1 GOL A 403 3780 4545 5838 -134 -1637 2463 O HETATM 2442 C2 GOL A 403 43.214 15.335 51.970 0.88 38.28 C ANISOU 2442 C2 GOL A 403 3958 4631 5955 -89 -1319 2141 C HETATM 2443 O2 GOL A 403 43.630 16.336 52.870 0.88 38.85 O ANISOU 2443 O2 GOL A 403 4046 4691 6023 -21 -1253 2110 O HETATM 2444 C3 GOL A 403 44.272 14.247 51.909 0.88 38.63 C ANISOU 2444 C3 GOL A 403 4003 4650 6024 -154 -1121 2035 C HETATM 2445 O3 GOL A 403 45.513 14.816 52.269 0.88 39.22 O ANISOU 2445 O3 GOL A 403 4065 4675 6160 -237 -915 1946 O HETATM 0 HO3 GOL A 403 45.939 14.277 52.753 0.88 39.22 H new HETATM 0 HO2 GOL A 403 44.422 16.189 53.107 0.88 38.85 H new HETATM 0 HO1 GOL A 403 40.723 16.082 52.990 0.88 37.28 H new HETATM 0 H32 GOL A 403 44.046 13.521 52.511 0.88 38.63 H new HETATM 0 H31 GOL A 403 44.319 13.871 51.016 0.88 38.63 H new HETATM 0 H2 GOL A 403 43.094 15.724 51.090 0.88 38.28 H new HETATM 0 H12 GOL A 403 42.041 13.862 52.818 0.88 37.81 H new HETATM 0 H11 GOL A 403 41.303 14.614 51.668 0.88 37.81 H new HETATM 2446 C1 GOL A 404 29.053 19.187 49.913 0.85 29.06 C ANISOU 2446 C1 GOL A 404 2982 3397 4663 1638 -504 531 C HETATM 2447 O1 GOL A 404 28.707 20.399 49.271 0.85 28.50 O ANISOU 2447 O1 GOL A 404 2860 3322 4646 1577 -477 561 O HETATM 2448 C2 GOL A 404 29.689 19.498 51.263 0.85 29.69 C ANISOU 2448 C2 GOL A 404 3067 3523 4692 1578 -519 544 C HETATM 2449 O2 GOL A 404 28.856 20.405 51.953 0.85 29.48 O ANISOU 2449 O2 GOL A 404 2961 3591 4650 1523 -744 405 O HETATM 2450 C3 GOL A 404 29.827 18.224 52.091 0.85 30.41 C ANISOU 2450 C3 GOL A 404 3171 3621 4763 1390 -334 573 C HETATM 2451 O3 GOL A 404 28.562 17.871 52.602 0.85 30.46 O ANISOU 2451 O3 GOL A 404 3136 3692 4744 1314 -443 603 O HETATM 0 HO3 GOL A 404 28.182 17.343 52.071 0.85 30.46 H new HETATM 0 HO2 GOL A 404 28.221 19.987 52.309 0.85 29.48 H new HETATM 0 HO1 GOL A 404 28.666 21.016 49.840 0.85 28.50 H new HETATM 0 H32 GOL A 404 30.180 17.505 51.544 0.85 30.41 H new HETATM 0 H31 GOL A 404 30.455 18.362 52.817 0.85 30.41 H new HETATM 0 H2 GOL A 404 30.570 19.879 51.123 0.85 29.69 H new HETATM 0 H12 GOL A 404 28.264 18.636 50.034 0.85 29.06 H new HETATM 0 H11 GOL A 404 29.670 18.681 49.362 0.85 29.06 H new HETATM 2452 C1 GOL A 405 16.786 1.105 27.744 0.88 34.45 C ANISOU 2452 C1 GOL A 405 3070 5277 4741 349 -1305 225 C HETATM 2453 O1 GOL A 405 16.652 1.332 29.130 0.88 33.63 O ANISOU 2453 O1 GOL A 405 2813 5242 4722 321 -1548 173 O HETATM 2454 C2 GOL A 405 16.217 2.306 27.000 0.88 35.57 C ANISOU 2454 C2 GOL A 405 3317 5318 4879 273 -896 162 C HETATM 2455 O2 GOL A 405 17.012 3.436 27.293 0.88 35.56 O ANISOU 2455 O2 GOL A 405 3287 5337 4889 136 -929 140 O HETATM 2456 C3 GOL A 405 16.182 2.037 25.497 0.88 35.23 C ANISOU 2456 C3 GOL A 405 3335 5304 4745 307 -918 110 C HETATM 2457 O3 GOL A 405 17.496 1.861 25.008 0.88 35.45 O ANISOU 2457 O3 GOL A 405 3435 5305 4730 327 -793 64 O HETATM 0 HO3 GOL A 405 17.470 1.712 24.182 0.88 35.45 H new HETATM 0 HO2 GOL A 405 17.583 3.542 26.686 0.88 35.56 H new HETATM 0 HO1 GOL A 405 16.671 2.158 29.282 0.88 33.63 H new HETATM 0 H32 GOL A 405 15.652 1.245 25.315 0.88 35.23 H new HETATM 0 H31 GOL A 405 15.754 2.777 25.038 0.88 35.23 H new HETATM 0 H2 GOL A 405 15.305 2.470 27.288 0.88 35.57 H new HETATM 0 H12 GOL A 405 17.719 0.976 27.512 0.88 34.45 H new HETATM 0 H11 GOL A 405 16.316 0.296 27.488 0.88 34.45 H new HETATM 2458 S DMS A 406 23.377 3.212 56.111 0.81 13.15 S ANISOU 2458 S DMS A 406 1885 2037 1075 605 -19 117 S HETATM 2459 O DMS A 406 24.296 3.915 55.159 0.81 11.90 O ANISOU 2459 O DMS A 406 1671 1982 867 558 113 198 O HETATM 2460 C1 DMS A 406 24.116 1.628 56.598 0.81 12.98 C ANISOU 2460 C1 DMS A 406 2037 1966 929 702 -101 108 C HETATM 2461 C2 DMS A 406 23.437 4.040 57.720 0.81 14.27 C ANISOU 2461 C2 DMS A 406 2119 2085 1218 552 327 120 C HETATM 0 H23 DMS A 406 22.831 3.597 58.335 0.81 14.27 H new HETATM 0 H22 DMS A 406 24.340 4.000 58.071 0.81 14.27 H new HETATM 0 H21 DMS A 406 23.172 4.967 57.617 0.81 14.27 H new HETATM 0 H13 DMS A 406 23.415 1.008 56.852 0.81 12.98 H new HETATM 0 H12 DMS A 406 24.616 1.261 55.852 0.81 12.98 H new HETATM 0 H11 DMS A 406 24.713 1.767 57.350 0.81 12.98 H new HETATM 2462 S DMS A 407 38.293 -17.205 53.353 0.79 40.27 S ANISOU 2462 S DMS A 407 4686 3596 7020 -1029 848 -828 S HETATM 2463 O DMS A 407 38.593 -15.753 53.147 0.79 39.34 O ANISOU 2463 O DMS A 407 4587 3499 6863 -1066 697 -962 O HETATM 2464 C1 DMS A 407 39.861 -18.118 53.397 0.79 40.05 C ANISOU 2464 C1 DMS A 407 4638 3581 6997 -1062 814 -832 C HETATM 2465 C2 DMS A 407 37.738 -17.462 55.062 0.79 39.92 C ANISOU 2465 C2 DMS A 407 4633 3579 6955 -1044 799 -819 C HETATM 0 H23 DMS A 407 37.542 -18.402 55.201 0.79 39.92 H new HETATM 0 H22 DMS A 407 38.437 -17.184 55.675 0.79 39.92 H new HETATM 0 H21 DMS A 407 36.938 -16.938 55.225 0.79 39.92 H new HETATM 0 H13 DMS A 407 39.682 -19.062 53.530 0.79 40.05 H new HETATM 0 H12 DMS A 407 40.332 -17.994 52.558 0.79 40.05 H new HETATM 0 H11 DMS A 407 40.408 -17.787 54.126 0.79 40.05 H new HETATM 2466 S DMS A 408 19.367 13.084 29.481 0.82 36.62 S ANISOU 2466 S DMS A 408 6073 5504 2338 -976 210 1391 S HETATM 2467 O DMS A 408 19.062 14.440 28.929 0.82 36.53 O ANISOU 2467 O DMS A 408 6053 5439 2388 -1040 369 1388 O HETATM 2468 C1 DMS A 408 17.881 12.421 30.282 0.82 35.87 C ANISOU 2468 C1 DMS A 408 5907 5432 2290 -1046 86 1373 C HETATM 2469 C2 DMS A 408 19.507 11.891 28.119 0.82 36.89 C ANISOU 2469 C2 DMS A 408 6119 5487 2412 -1008 313 1327 C HETATM 0 H23 DMS A 408 19.705 11.012 28.478 0.82 36.89 H new HETATM 0 H22 DMS A 408 18.670 11.859 27.629 0.82 36.89 H new HETATM 0 H21 DMS A 408 20.221 12.164 27.521 0.82 36.89 H new HETATM 0 H13 DMS A 408 18.073 11.541 30.642 0.82 35.87 H new HETATM 0 H12 DMS A 408 17.610 13.012 31.002 0.82 35.87 H new HETATM 0 H11 DMS A 408 17.165 12.355 29.631 0.82 35.87 H new HETATM 2470 C ACT A 409 19.652 -0.378 36.169 0.89 29.78 C ANISOU 2470 C ACT A 409 5911 2736 2670 -1569 579 209 C HETATM 2471 O ACT A 409 20.294 0.129 35.218 0.89 29.89 O ANISOU 2471 O ACT A 409 5856 2720 2782 -1610 503 5 O HETATM 2472 OXT ACT A 409 20.206 -1.329 36.749 0.89 30.37 O ANISOU 2472 OXT ACT A 409 5925 2851 2762 -1605 545 82 O HETATM 2473 CH3 ACT A 409 18.300 0.108 36.603 0.89 29.22 C ANISOU 2473 CH3 ACT A 409 5893 2693 2519 -1587 666 335 C HETATM 0 H3 ACT A 409 18.361 1.038 36.871 0.89 29.22 H new HETATM 0 H2 ACT A 409 17.674 0.024 35.867 0.89 29.22 H new HETATM 0 H1 ACT A 409 17.990 -0.424 37.352 0.89 29.22 H new HETATM 2474 C ACT A 410 14.802 -2.372 39.748 0.74 22.26 C ANISOU 2474 C ACT A 410 3285 2119 3055 -1362 89 79 C HETATM 2475 O ACT A 410 13.677 -2.898 39.912 0.74 22.49 O ANISOU 2475 O ACT A 410 3209 2133 3202 -1355 131 97 O HETATM 2476 OXT ACT A 410 15.647 -2.622 40.636 0.74 21.77 O ANISOU 2476 OXT ACT A 410 3206 2119 2948 -1419 48 57 O HETATM 2477 CH3 ACT A 410 15.117 -1.499 38.565 0.74 21.63 C ANISOU 2477 CH3 ACT A 410 3271 2041 2908 -1312 -15 89 C HETATM 0 H3 ACT A 410 14.998 -2.007 37.747 0.74 21.63 H new HETATM 0 H2 ACT A 410 14.521 -0.734 38.560 0.74 21.63 H new HETATM 0 H1 ACT A 410 16.035 -1.193 38.624 0.74 21.63 H new HETATM 2478 O HOH A 501 39.790 12.525 59.007 1.00 11.49 O HETATM 2479 O HOH A 502 21.098 18.463 47.967 1.00 12.17 O HETATM 2480 O HOH A 503 19.975 13.275 47.716 1.00 11.89 O HETATM 2481 O HOH A 504 14.130 -1.539 47.091 1.00 12.95 O HETATM 2482 O HOH A 505 31.334 6.694 34.032 1.00 10.75 O HETATM 2483 O HOH A 506 24.638 -1.923 44.434 1.00 12.12 O HETATM 2484 O HOH A 507 43.867 11.912 48.832 1.00 10.52 O HETATM 2485 O HOH A 508 26.454 -0.523 54.490 1.00 10.53 O HETATM 2486 O HOH A 509 31.116 1.608 65.858 1.00 10.60 O HETATM 2487 O HOH A 510 33.381 24.351 36.756 1.00 11.90 O HETATM 2488 O HOH A 511 33.402 8.564 30.899 1.00 16.91 O HETATM 2489 O HOH A 512 24.430 16.128 33.407 1.00 8.35 O HETATM 2490 O HOH A 513 33.543 5.453 67.010 1.00 11.51 O HETATM 2491 O HOH A 514 49.924 2.990 41.135 1.00 13.77 O HETATM 2492 O HOH A 515 41.529 1.247 63.125 1.00 19.13 O HETATM 2493 O HOH A 516 42.918 10.857 44.794 1.00 10.51 O HETATM 2494 O HOH A 517 36.420 6.577 57.255 1.00 11.23 O HETATM 2495 O HOH A 518 36.965 -0.495 68.595 1.00 9.45 O HETATM 2496 O HOH A 519 48.700 10.444 53.770 1.00 12.46 O HETATM 2497 O HOH A 520 27.268 0.646 33.444 1.00 16.58 O HETATM 2498 O HOH A 521 23.201 -9.103 47.517 1.00 16.08 O HETATM 2499 O HOH A 522 25.420 -1.581 34.619 1.00 17.59 O HETATM 2500 O HOH A 523 5.572 4.469 50.159 1.00 16.50 O HETATM 2501 O HOH A 524 37.163 0.563 37.506 1.00 10.76 O HETATM 2502 O HOH A 525 20.062 8.261 51.795 1.00 19.83 O HETATM 2503 O HOH A 526 27.225 4.363 31.099 1.00 12.33 O HETATM 2504 O HOH A 527 35.400 18.648 48.719 1.00 18.54 O HETATM 2505 O HOH A 528 50.485 4.864 43.893 1.00 13.16 O HETATM 2506 O HOH A 529 14.527 6.553 32.292 1.00 18.35 O HETATM 2507 O HOH A 530 41.648 1.754 38.340 1.00 21.03 O HETATM 2508 O HOH A 531 19.554 20.014 40.733 1.00 13.49 O HETATM 2509 O HOH A 532 25.781 -1.244 48.714 1.00 11.59 O HETATM 2510 O HOH A 533 20.058 20.433 43.477 1.00 16.43 O HETATM 2511 O HOH A 534 46.254 0.110 36.398 1.00 24.87 O HETATM 2512 O HOH A 535 21.870 4.794 73.395 1.00 26.24 O HETATM 2513 O HOH A 536 26.267 20.260 48.009 1.00 16.97 O HETATM 2514 O HOH A 537 44.007 4.527 65.170 1.00 19.87 O HETATM 2515 O HOH A 538 41.822 0.334 79.512 1.00 16.67 O HETATM 2516 O HOH A 539 27.372 19.986 38.113 1.00 13.34 O HETATM 2517 O HOH A 540 19.445 10.493 50.375 1.00 15.34 O HETATM 2518 O HOH A 541 28.513 20.168 35.811 1.00 19.83 O HETATM 2519 O HOH A 542 21.840 -2.603 45.086 1.00 15.57 O HETATM 2520 O HOH A 543 42.754 3.819 36.038 1.00 18.58 O HETATM 2521 O HOH A 544 29.042 9.505 68.840 1.00 22.22 O HETATM 2522 O HOH A 545 35.206 7.210 32.784 1.00 24.28 O HETATM 2523 O HOH A 546 19.127 7.142 67.988 1.00 24.35 O HETATM 2524 O HOH A 547 32.858 19.128 48.799 1.00 21.54 O HETATM 2525 O HOH A 548 18.422 15.300 46.872 1.00 19.71 O HETATM 2526 O HOH A 549 46.693 11.384 45.017 1.00 27.45 O HETATM 2527 O HOH A 550 8.265 4.731 36.653 1.00 14.76 O HETATM 2528 O HOH A 551 17.449 15.438 32.278 1.00 24.67 O HETATM 2529 O HOH A 552 31.731 5.833 82.580 1.00 19.82 O HETATM 2530 O HOH A 553 21.418 -3.519 41.415 1.00 24.87 O HETATM 2531 O HOH A 554 20.414 3.934 71.713 1.00 27.62 O HETATM 2532 O HOH A 555 37.933 19.358 33.985 1.00 22.14 O HETATM 2533 O HOH A 556 39.609 10.096 32.595 1.00 27.97 O HETATM 2534 O HOH A 557 16.590 13.889 34.869 1.00 21.08 O HETATM 2535 O HOH A 558 48.133 8.995 40.578 1.00 23.06 O HETATM 2536 O HOH A 559 23.484 2.249 78.046 1.00 22.64 O HETATM 2537 O HOH A 560 45.719 13.318 43.738 1.00 23.71 O HETATM 2538 O HOH A 561 43.783 14.398 45.420 1.00 21.42 O HETATM 2539 O HOH A 562 54.613 6.001 56.906 1.00 23.52 O HETATM 2540 O HOH A 563 26.685 19.737 54.068 1.00 20.31 O HETATM 2541 O HOH A 564 46.491 13.528 58.976 1.00 25.16 O HETATM 2542 O HOH A 565 17.091 17.844 33.005 1.00 24.70 O HETATM 2543 O HOH A 566 24.795 13.215 27.559 1.00 32.45 O HETATM 2544 O HOH A 567 31.277 20.929 48.005 1.00 23.45 O HETATM 2545 O HOH A 568 47.644 12.145 47.324 1.00 18.04 O HETATM 2546 O HOH A 569 23.953 6.696 72.301 1.00 21.98 O HETATM 2547 O HOH A 570 15.182 4.283 68.377 1.00 24.89 O HETATM 2548 O HOH A 571 45.223 14.116 48.022 1.00 18.37 O HETATM 2549 O HOH A 572 49.042 3.174 38.352 1.00 34.04 O HETATM 2550 O HOH A 573 30.581 15.131 28.519 1.00 28.85 O HETATM 2551 O HOH A 574 20.789 12.667 50.684 1.00 26.91 O HETATM 2552 O HOH A 575 33.704 16.044 52.755 1.00 22.54 O HETATM 2553 O HOH A 576 16.086 19.631 31.101 1.00 21.93 O HETATM 2554 O HOH A 577 25.434 15.936 27.992 1.00 20.84 O HETATM 2555 O HOH A 578 13.591 -4.069 46.614 1.00 19.27 O HETATM 2556 O HOH A 579 47.874 10.236 56.823 1.00 26.55 O HETATM 2557 O HOH A 580 31.022 7.815 76.045 1.00 20.86 O HETATM 2558 O HOH A 581 36.272 8.115 74.373 1.00 29.31 O HETATM 2559 O HOH A 582 29.541 6.796 78.155 1.00 24.35 O HETATM 2560 O HOH A 583 25.296 12.328 25.151 1.00 38.03 O HETATM 2561 O HOH A 584 20.260 17.577 45.770 1.00 24.13 O HETATM 2562 O HOH A 585 31.277 3.417 31.627 1.00 25.71 O HETATM 2563 O HOH A 586 14.499 17.300 41.158 1.00 29.55 O HETATM 2564 O HOH A 587 41.825 10.580 71.348 1.00 33.63 O HETATM 2565 O HOH A 588 43.355 -0.021 36.387 1.00 32.11 O HETATM 2566 O HOH A 589 41.254 12.859 32.719 1.00 35.85 O HETATM 2567 O HOH A 590 30.327 19.519 39.374 1.00 29.13 O HETATM 2568 O HOH A 591 26.207 14.671 23.827 1.00 24.64 O HETATM 2569 O HOH A 592 39.195 21.516 42.745 1.00 27.23 O HETATM 2570 O HOH A 593 37.627 13.179 29.703 1.00 24.94 O HETATM 2571 O HOH A 594 33.411 5.426 85.687 1.00 29.85 O HETATM 2572 O HOH A 595 30.249 -6.343 38.466 1.00 30.48 O HETATM 2573 O HOH A 596 34.900 13.450 63.559 1.00 29.98 O HETATM 2574 O HOH A 597 45.264 3.399 36.595 1.00 39.66 O HETATM 2575 O HOH A 598 14.367 19.111 43.323 1.00 31.67 O HETATM 2576 O HOH A 599 47.934 9.358 43.644 1.00 21.89 O HETATM 2577 O HOH A 600 32.878 7.968 82.279 1.00 27.64 O HETATM 2578 O HOH A 601 10.752 -1.711 48.331 1.00 29.55 O HETATM 2579 O HOH A 602 21.523 17.821 43.604 1.00 21.64 O HETATM 2580 O HOH A 603 8.238 -2.877 41.350 1.00 28.17 O HETATM 2581 O HOH A 604 36.132 10.154 30.561 1.00 36.97 O HETATM 2582 O HOH A 605 29.849 9.001 74.305 1.00 29.60 O HETATM 2583 O HOH A 606 51.111 7.144 45.019 1.00 34.54 O HETATM 2584 O HOH A 607 31.617 23.838 49.358 1.00 29.15 O HETATM 2585 O HOH A 608 42.104 16.906 43.248 1.00 29.08 O HETATM 2586 O HOH A 609 19.096 21.658 38.513 1.00 9.11 O HETATM 2587 O HOH A 610 31.841 24.027 39.053 1.00 9.77 O HETATM 2588 O HOH A 611 30.901 22.043 36.221 1.00 12.31 O HETATM 2589 O HOH A 612 18.010 20.705 29.715 1.00 15.96 O HETATM 2590 O HOH A 613 25.861 16.884 25.394 1.00 16.46 O HETATM 2591 O HOH A 614 32.871 22.648 40.875 1.00 31.54 O HETATM 2592 O HOH A 615 28.214 18.378 25.549 1.00 21.90 O HETATM 2593 O HOH A 616 24.147 15.181 21.268 1.00 39.39 O HETATM 2594 O HOH A 617 32.746 11.916 64.613 1.00 34.23 O HETATM 2595 O HOH A 618 6.127 -3.282 39.328 1.00 43.69 O HETATM 2596 O HOH A 619 23.418 18.209 24.616 1.00 14.32 O HETATM 2597 O HOH A 620 16.425 20.061 36.693 1.00 11.75 O HETATM 2598 O HOH A 621 29.684 20.633 26.314 1.00 18.03 O HETATM 2599 O HOH A 622 32.039 19.606 27.384 1.00 26.85 O HETATM 2600 O HOH A 623 46.711 -14.167 65.420 1.00 17.74 O HETATM 2601 O HOH A 624 48.623 -15.569 61.012 1.00 17.68 O HETATM 2602 O HOH A 625 52.212 -11.706 54.474 1.00 26.22 O HETATM 2603 O HOH A 626 51.787 -4.981 51.806 1.00 25.85 O HETATM 2604 O HOH A 627 44.491 -8.268 50.728 1.00 8.77 O HETATM 2605 O HOH A 628 40.311 -7.746 50.663 1.00 10.04 O HETATM 2606 O HOH A 629 41.555 -12.101 48.953 1.00 12.22 O HETATM 2607 O HOH A 630 40.307 -9.553 48.575 1.00 11.38 O HETATM 2608 O HOH A 631 36.878 -11.351 47.484 1.00 17.60 O HETATM 2609 O HOH A 632 45.161 -15.015 56.388 1.00 21.02 O HETATM 2610 O HOH A 633 30.298 -13.280 55.705 1.00 9.92 O HETATM 2611 O HOH A 634 31.158 -6.451 57.328 1.00 9.55 O HETATM 2612 O HOH A 635 28.798 -2.937 55.572 1.00 7.55 O HETATM 2613 O HOH A 636 31.519 -3.994 55.942 1.00 8.31 O HETATM 2614 O HOH A 637 26.508 -0.735 57.187 1.00 11.39 O HETATM 2615 O HOH A 638 30.535 -8.817 49.518 1.00 21.45 O HETATM 2616 O HOH A 639 38.686 -9.436 43.948 1.00 13.69 O HETATM 2617 O HOH A 640 50.250 -5.987 42.003 1.00 21.39 O HETATM 2618 O HOH A 641 43.781 -1.019 38.957 1.00 10.25 O HETATM 2619 O HOH A 642 39.245 -4.334 35.997 1.00 20.73 O HETATM 2620 O HOH A 643 16.894 -9.655 50.289 1.00 21.47 O HETATM 2621 O HOH A 644 21.735 -4.367 64.106 1.00 15.57 O HETATM 2622 O HOH A 645 37.292 -2.346 66.392 1.00 8.80 O HETATM 2623 O HOH A 646 35.886 -1.446 71.031 1.00 10.78 O HETATM 2624 O HOH A 647 40.557 -2.453 72.594 1.00 11.96 O HETATM 2625 O HOH A 648 41.989 -0.763 74.231 1.00 17.95 O HETATM 2626 O HOH A 649 44.359 -2.055 73.827 1.00 23.68 O HETATM 2627 O HOH A 650 41.715 -2.162 78.189 1.00 27.76 O HETATM 2628 O HOH A 651 38.797 -3.407 85.100 1.00 23.38 O HETATM 2629 O HOH A 652 44.556 2.750 62.408 1.00 31.15 O HETATM 2630 O HOH A 653 19.586 -9.430 75.631 1.00 18.98 O HETATM 2631 O HOH A 654 22.172 -15.698 70.554 1.00 16.84 O HETATM 2632 O HOH A 655 28.030 -6.809 85.416 1.00 26.97 O HETATM 2633 O HOH A 656 48.703 -8.023 40.695 1.00 19.22 O HETATM 2634 O HOH A 657 15.473 -0.304 69.630 1.00 16.09 O HETATM 2635 O HOH A 658 41.610 -11.774 75.975 1.00 15.86 O HETATM 2636 O HOH A 659 47.064 -9.733 66.981 1.00 22.13 O HETATM 2637 O HOH A 660 32.037 -1.589 81.952 1.00 13.79 O HETATM 2638 O HOH A 661 42.670 -16.045 74.645 1.00 18.92 O HETATM 2639 O HOH A 662 35.705 -3.013 48.251 1.00 8.88 O HETATM 2640 O HOH A 663 47.051 -6.785 39.057 1.00 24.02 O HETATM 2641 O HOH A 664 26.583 -12.286 80.617 1.00 23.11 O HETATM 2642 O HOH A 665 9.497 3.117 34.840 1.00 15.90 O HETATM 2643 O HOH A 666 50.769 5.453 41.326 1.00 25.91 O HETATM 2644 O HOH A 667 5.907 -7.793 51.435 1.00 17.93 O HETATM 2645 O HOH A 668 52.161 -8.915 53.980 1.00 15.27 O HETATM 2646 O HOH A 669 49.732 -15.771 57.824 1.00 25.89 O HETATM 2647 O HOH A 670 49.469 -2.905 67.698 1.00 23.43 O HETATM 2648 O HOH A 671 41.034 -18.385 74.995 1.00 23.62 O HETATM 2649 O HOH A 672 22.811 -15.739 77.408 1.00 28.23 O HETATM 2650 O HOH A 673 19.962 -12.090 79.404 1.00 37.88 O HETATM 2651 O HOH A 674 12.662 -4.948 77.353 1.00 32.47 O HETATM 2652 O HOH A 675 15.294 -12.092 69.378 1.00 36.24 O HETATM 2653 O HOH A 676 32.247 -11.991 82.895 1.00 30.78 O HETATM 2654 O HOH A 677 38.616 -5.630 81.315 1.00 23.30 O HETATM 2655 O HOH A 678 34.514 -9.542 85.102 1.00 28.80 O HETATM 2656 O HOH A 679 52.545 -4.487 61.035 1.00 23.32 O HETATM 2657 O HOH A 680 42.847 10.806 64.441 1.00 27.74 O HETATM 2658 O HOH A 681 45.152 9.211 64.768 1.00 26.97 O HETATM 2659 O HOH A 682 44.345 7.046 66.349 1.00 28.31 O HETATM 2660 O HOH A 683 54.845 -3.519 55.141 1.00 25.08 O HETATM 2661 O HOH A 684 35.240 -5.999 36.903 1.00 29.81 O HETATM 2662 O HOH A 685 38.621 -2.351 34.734 1.00 32.86 O HETATM 2663 O HOH A 686 25.628 -13.457 48.973 1.00 30.61 O HETATM 2664 O HOH A 687 27.330 -5.021 36.435 1.00 38.20 O HETATM 2665 O HOH A 688 23.105 0.049 33.680 1.00 24.20 O HETATM 2666 O HOH A 689 49.653 -12.011 47.123 1.00 35.60 O HETATM 2667 O HOH A 690 39.229 -12.315 43.893 1.00 36.02 O HETATM 2668 O HOH A 691 50.810 10.537 52.012 1.00 21.27 O HETATM 2669 O HOH A 692 22.419 8.092 30.334 1.00 28.78 O HETATM 2670 O HOH A 693 31.884 -1.522 86.215 1.00 29.28 O HETATM 2671 O HOH A 694 36.086 -14.505 50.643 1.00 30.11 O HETATM 2672 O HOH A 695 39.556 -13.798 48.848 1.00 31.22 O HETATM 2673 O HOH A 696 30.728 13.561 32.684 1.00 17.62 O HETATM 2674 O HOH A 697 43.761 13.372 37.161 1.00 22.44 O HETATM 2675 O HOH A 698 8.681 -4.628 44.140 1.00 23.62 O HETATM 2676 O HOH A 699 43.616 2.432 40.489 1.00 22.21 O HETATM 2677 O HOH A 700 26.815 8.479 28.851 1.00 27.95 O HETATM 2678 O HOH A 701 16.669 4.622 64.557 1.00 31.87 O HETATM 2679 O HOH A 702 29.838 17.666 35.259 1.00 29.55 O HETATM 2680 O HOH A 703 32.889 -4.862 41.699 1.00 25.48 O HETATM 2681 O HOH A 704 30.335 -1.769 84.522 1.00 31.93 O HETATM 2682 O HOH A 705 10.696 -4.310 46.324 1.00 28.86 O HETATM 2683 O HOH A 706 48.672 11.525 58.919 1.00 27.29 O HETATM 2684 O HOH A 707 22.357 5.460 30.540 1.00 30.30 O HETATM 2685 O HOH A 708 15.161 17.971 35.230 1.00 35.94 O HETATM 2686 O HOH A 709 9.052 6.948 38.771 1.00 31.97 O HETATM 2687 O HOH A 710 19.907 17.450 50.263 1.00 33.63 O HETATM 2688 O HOH A 711 25.987 3.188 79.011 1.00 28.22 O HETATM 2689 O HOH A 712 21.637 1.817 80.189 1.00 45.59 O HETATM 2690 O HOH A 713 43.871 -16.791 58.070 1.00 29.60 O HETATM 2691 O HOH A 714 46.792 -9.327 71.017 1.00 27.24 O HETATM 2692 O HOH A 715 48.574 -12.060 65.670 1.00 29.93 O HETATM 2693 O HOH A 716 44.182 -16.758 72.157 1.00 36.13 O HETATM 2694 O HOH A 717 46.354 -9.110 75.788 1.00 38.12 O HETATM 2695 O HOH A 718 16.586 2.592 74.592 1.00 34.83 O HETATM 2696 O HOH A 719 16.836 -0.839 60.098 1.00 35.55 O HETATM 2697 O HOH A 720 14.746 -7.741 63.651 1.00 34.07 O HETATM 2698 O HOH A 721 38.531 10.653 81.180 1.00 33.18 O HETATM 2699 O HOH A 722 41.170 8.228 77.623 1.00 36.17 O HETATM 2700 O HOH A 723 43.192 5.611 76.340 1.00 24.43 O HETATM 2701 O HOH A 724 44.820 6.791 68.862 1.00 37.83 O HETATM 2702 O HOH A 725 44.947 4.402 80.312 1.00 27.88 O HETATM 2703 O HOH A 726 49.642 -6.298 67.711 1.00 37.59 O HETATM 2704 O HOH A 727 47.233 14.722 55.131 1.00 38.14 O HETATM 2705 O HOH A 728 40.816 16.593 57.418 1.00 38.97 O HETATM 2706 O HOH A 729 41.648 17.127 40.227 1.00 29.64 O HETATM 2707 O HOH A 730 27.466 12.587 30.948 1.00 30.30 O HETATM 2708 O HOH A 731 32.368 4.553 29.633 1.00 40.76 O HETATM 2709 O HOH A 732 37.807 21.464 36.190 1.00 30.17 O HETATM 2710 O HOH A 733 23.514 4.919 52.814 1.00 10.74 O HETATM 2711 O HOH A 734 32.044 20.117 41.031 1.00 30.54 O HETATM 2712 O HOH A 735 9.483 11.520 36.752 1.00 36.10 O HETATM 2713 O HOH A 736 7.444 8.828 52.193 1.00 30.44 O HETATM 2714 O HOH A 737 25.305 1.942 31.896 1.00 27.05 O HETATM 2715 O HOH A 738 21.226 13.470 20.841 1.00 33.22 O HETATM 2716 O HOH A 739 18.874 14.712 21.860 1.00 32.07 O HETATM 2717 O HOH A 740 29.738 -3.041 33.719 1.00 37.51 O HETATM 2718 O HOH A 741 19.364 -3.784 38.429 1.00 40.67 O HETATM 2719 O HOH A 742 16.365 -7.117 44.979 1.00 32.79 O HETATM 2720 O HOH A 743 14.654 -4.994 44.640 1.00 34.26 O HETATM 2721 O HOH A 744 14.020 -1.652 49.922 1.00 38.02 O HETATM 2722 O HOH A 745 29.666 -9.486 41.609 1.00 28.35 O HETATM 2723 O HOH A 746 21.421 -12.380 51.014 1.00 43.97 O HETATM 2724 O HOH A 747 51.928 -14.558 58.302 1.00 33.06 O HETATM 2725 O HOH A 748 51.433 -9.078 49.498 1.00 35.08 O HETATM 2726 O HOH A 749 15.936 -6.661 79.209 1.00 32.86 O HETATM 2727 O HOH A 750 18.080 -7.425 79.830 1.00 40.66 O HETATM 2728 O HOH A 751 46.976 -15.629 63.169 1.00 36.96 O HETATM 2729 O HOH A 752 47.072 -12.930 69.750 1.00 44.03 O HETATM 2730 O HOH A 753 46.401 -15.206 71.256 1.00 35.89 O HETATM 2731 O HOH A 754 45.277 -15.940 54.071 1.00 35.70 O HETATM 2732 O HOH A 755 21.120 -4.504 81.011 1.00 38.43 O HETATM 2733 O HOH A 756 39.809 -9.972 79.192 1.00 25.53 O HETATM 2734 O HOH A 757 48.407 0.266 68.899 1.00 45.98 O HETATM 2735 O HOH A 758 34.202 9.751 74.597 1.00 42.42 O HETATM 2736 O HOH A 759 8.812 9.544 35.352 1.00 36.36 O HETATM 2737 O HOH A 760 54.952 -8.200 54.416 1.00 44.01 O HETATM 2738 O HOH A 761 52.694 -6.877 42.756 1.00 32.14 O HETATM 2739 O HOH A 762 53.733 8.781 43.710 1.00 41.05 O HETATM 2740 O HOH A 763 49.366 12.990 55.065 1.00 37.75 O HETATM 2741 O HOH A 764 39.178 2.546 34.964 1.00 32.89 O HETATM 2742 O HOH A 765 37.456 0.497 34.934 1.00 35.80 O HETATM 2743 O HOH A 766 31.622 21.672 45.631 1.00 42.51 O HETATM 2744 O HOH A 767 17.651 18.279 41.464 1.00 29.79 O HETATM 2745 O HOH A 768 32.591 19.362 43.397 1.00 38.11 O HETATM 2746 O HOH A 769 40.059 -9.467 40.150 1.00 42.41 O HETATM 2747 O HOH A 770 17.755 -11.076 74.497 1.00 40.26 O HETATM 2748 O HOH A 771 13.322 0.605 69.159 1.00 35.71 O HETATM 2749 O HOH A 772 14.123 2.739 62.383 1.00 40.19 O HETATM 2750 O HOH A 773 42.951 -2.285 35.535 1.00 32.47 O HETATM 2751 O HOH A 774 48.031 5.740 39.170 1.00 34.26 O HETATM 2752 O HOH A 775 46.522 -16.874 59.570 1.00 40.37 O HETATM 2753 O HOH A 776 24.160 -15.021 57.508 1.00 34.10 O HETATM 2754 O HOH A 777 20.000 -8.910 44.189 1.00 35.94 O HETATM 2755 O HOH A 778 15.700 -1.464 34.493 1.00 35.72 O HETATM 2756 O HOH A 779 39.686 -5.203 83.546 1.00 39.82 O HETATM 2757 O HOH A 780 17.205 7.221 31.194 1.00 39.56 O HETATM 2758 O HOH A 781 40.624 18.359 50.235 1.00 39.12 O HETATM 2759 O HOH A 782 9.684 5.327 50.656 1.00 36.37 O HETATM 2760 O HOH A 783 44.506 9.990 33.840 1.00 39.43 O HETATM 2761 O HOH A 784 55.708 8.405 57.732 1.00 38.76 O HETATM 2762 O HOH A 785 52.939 -0.810 62.730 1.00 37.76 O HETATM 2763 O HOH A 786 31.644 -8.290 42.847 1.00 33.32 O HETATM 2764 O HOH A 787 52.957 6.588 54.199 1.00 29.68 O HETATM 2765 O HOH A 788 33.012 18.865 52.082 1.00 42.10 O HETATM 2766 O HOH A 789 36.765 -9.431 41.890 1.00 43.97 O HETATM 2767 O HOH A 790 9.554 -6.213 47.960 1.00 38.28 O HETATM 2768 O HOH A 791 51.835 1.366 61.993 1.00 42.96 O HETATM 2769 O HOH A 792 32.732 -18.197 82.085 1.00 43.95 O HETATM 2770 O HOH A 793 37.776 -8.848 36.532 1.00 38.68 O HETATM 2771 O HOH A 794 42.924 -4.368 77.052 1.00 37.87 O HETATM 2772 O HOH A 795 21.684 -17.132 68.256 1.00 36.92 O HETATM 2773 O HOH A 796 48.060 10.558 61.548 1.00 42.18 O HETATM 2774 O HOH A 797 40.121 -19.621 79.719 1.00 42.84 O HETATM 2775 O HOH A 798 13.153 4.146 49.985 1.00 36.64 O HETATM 2776 O HOH A 799 26.291 9.490 72.361 1.00 41.85 O HETATM 2777 O HOH A 800 48.503 11.968 40.353 1.00 40.33 O HETATM 2778 O HOH A 801 53.295 -13.603 62.728 1.00 39.56 O HETATM 2779 O HOH A 802 35.065 19.933 43.901 1.00 34.46 O HETATM 2780 O HOH A 803 55.309 -8.637 64.003 1.00 46.23 O HETATM 2781 O HOH A 804 49.840 13.453 48.257 1.00 28.79 O HETATM 2782 O HOH A 805 47.321 6.044 36.521 1.00 46.20 O HETATM 2783 O HOH A 806 14.222 13.985 33.383 1.00 47.18 O HETATM 2784 O HOH A 807 34.203 15.525 62.121 1.00 42.57 O HETATM 2785 O HOH A 808 47.673 8.369 62.510 1.00 42.05 O HETATM 2786 O HOH A 809 54.978 -0.603 56.042 1.00 48.58 O HETATM 2787 O HOH A 810 26.614 17.404 31.717 1.00 21.63 O HETATM 2788 O HOH A 811 28.377 8.581 61.445 1.00 25.83 O HETATM 2789 O HOH A 812 29.692 10.126 60.238 1.00 35.81 O HETATM 2790 O HOH A 813 34.759 -9.041 44.637 1.00 26.50 O HETATM 2791 O HOH A 814 38.459 -19.203 71.589 1.00 29.97 O HETATM 2792 O HOH A 815 39.303 12.981 65.782 1.00 32.04 O HETATM 2793 O HOH A 816 15.698 -5.750 50.549 1.00 40.23 O HETATM 2794 O HOH A 817 11.436 -7.669 70.056 1.00 44.70 O HETATM 2795 O HOH A 818 43.526 5.515 72.368 1.00 42.00 O HETATM 2796 O HOH A 819 33.907 19.262 45.798 1.00 32.54 O HETATM 2797 O HOH A 820 52.920 -1.514 51.289 1.00 27.48 O HETATM 2798 O HOH A 821 20.615 3.212 52.089 1.00 30.77 O HETATM 2799 O HOH A 822 31.800 16.431 33.275 1.00 33.41 O HETATM 2800 O HOH A 823 49.277 -14.487 53.326 1.00 45.32 O HETATM 2801 O HOH A 824 13.602 -12.096 63.083 1.00 43.31 O HETATM 2802 O HOH A 825 43.028 -15.249 51.172 1.00 46.11 O HETATM 2803 O HOH A 826 55.764 -4.520 64.516 1.00 42.52 O HETATM 2804 O HOH A 827 54.761 1.888 59.949 1.00 37.53 O HETATM 2805 O HOH A 828 9.321 11.151 32.959 1.00 37.14 O HETATM 2806 O HOH A 829 28.223 17.771 28.970 1.00 37.69 O HETATM 2807 O HOH A 830 11.465 -2.980 38.945 1.00 43.02 O HETATM 2808 O HOH A 831 16.198 15.299 49.786 1.00 41.75 O HETATM 2809 O HOH A 832 34.624 -14.910 48.024 1.00 42.44 O HETATM 2810 O HOH A 833 18.791 16.600 38.065 1.00 30.83 O CONECT 1861 2127 CONECT 2127 1861 CONECT 2408 2409 2418 CONECT 2409 2408 2410 2416 CONECT 2410 2409 2411 2412 CONECT 2411 2410 CONECT 2412 2410 2413 CONECT 2413 2412 2414 2415 CONECT 2414 2413 CONECT 2415 2413 2416 CONECT 2416 2409 2415 2417 CONECT 2417 2416 CONECT 2418 2408 2419 CONECT 2419 2418 2420 CONECT 2420 2419 2421 2422 CONECT 2421 2420 CONECT 2422 2420 2423 2424 CONECT 2423 2422 CONECT 2424 2422 2425 CONECT 2425 2424 2426 2433 CONECT 2426 2425 2427 CONECT 2427 2426 2428 CONECT 2428 2427 2429 2433 CONECT 2429 2428 2430 CONECT 2430 2429 2431 CONECT 2431 2430 2432 CONECT 2432 2431 2433 CONECT 2433 2425 2428 2432 CONECT 2434 2435 2436 CONECT 2435 2434 CONECT 2436 2434 2437 2438 CONECT 2437 2436 CONECT 2438 2436 2439 CONECT 2439 2438 CONECT 2440 2441 2442 CONECT 2441 2440 CONECT 2442 2440 2443 2444 CONECT 2443 2442 CONECT 2444 2442 2445 CONECT 2445 2444 CONECT 2446 2447 2448 CONECT 2447 2446 CONECT 2448 2446 2449 2450 CONECT 2449 2448 CONECT 2450 2448 2451 CONECT 2451 2450 CONECT 2452 2453 2454 CONECT 2453 2452 CONECT 2454 2452 2455 2456 CONECT 2455 2454 CONECT 2456 2454 2457 CONECT 2457 2456 CONECT 2458 2459 2460 2461 CONECT 2459 2458 CONECT 2460 2458 CONECT 2461 2458 CONECT 2462 2463 2464 2465 CONECT 2463 2462 CONECT 2464 2462 CONECT 2465 2462 CONECT 2466 2467 2468 2469 CONECT 2467 2466 CONECT 2468 2466 CONECT 2469 2466 CONECT 2470 2471 2472 2473 CONECT 2471 2470 CONECT 2472 2470 CONECT 2473 2470 CONECT 2474 2475 2476 2477 CONECT 2475 2474 CONECT 2476 2474 CONECT 2477 2474 END