USER MOD reduce.3.24.130724 H: found=0, std=0, add=1871, rem=0, adj=97 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER IMMUNE SYSTEM 15-JUN-15 5C2B TITLE ANTI-CXCL13 PARENTAL SCFV - 3B4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SCFV 3B4 HEAVY CHAIN; COMPND 3 CHAIN: H; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 3B4 LIGHT CHAIN; COMPND 7 CHAIN: L; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: HEK293; SOURCE 6 GENE: IGHV1-69-2; SOURCE 7 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 9 EXPRESSION_SYSTEM_CELL_LINE: HEK293F; SOURCE 0 MOL_ID: 2; SOURCE 1 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 2 ORGANISM_COMMON: HUMAN; SOURCE 3 ORGANISM_TAXID: 9606; SOURCE 4 CELL_LINE: HEK293; SOURCE 5 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 7 EXPRESSION_SYSTEM_CELL_LINE: HEK293F KEYWDS ANTI-CXCL13, SCFV, IMMUNE SYSTEM EXPDTA X-RAY DIFFRACTION AUTHOR C.TU,J.BARD,L.MOSYAK REVDAT 1 04-NOV-15 5C2B 0 JRNL AUTH C.TU,V.TERRABUBE,A.TAM,W.STOCHAJ,B.FENNELL,L.LIN,M.STAHL, JRNL AUTH 2 E.LAVALLIE,W.SOMERS,W.FINLAY,L.MOSYAK,J.BARD,O.CUNNINGHAM JRNL TITL OPTIMIZATION OF A SCFV-BASED BIOTHERAPEUTIC BY CDR JRNL TITL 2 SIDE-CHAIN CLASH REPAIR JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.8.2_1309 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.98 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 3 NUMBER OF REFLECTIONS : 77314 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.180 REMARK 3 R VALUE (WORKING SET) : 0.179 REMARK 3 FREE R VALUE : 0.194 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.980 REMARK 3 FREE R VALUE TEST SET COUNT : 3850 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 32.9841 - 4.2633 0.99 2803 147 0.1644 0.1681 REMARK 3 2 4.2633 - 3.3850 0.99 2684 142 0.1439 0.1764 REMARK 3 3 3.3850 - 2.9574 1.00 2667 138 0.1851 0.1981 REMARK 3 4 2.9574 - 2.6871 1.00 2667 139 0.1883 0.2023 REMARK 3 5 2.6871 - 2.4946 1.00 2638 134 0.1944 0.2024 REMARK 3 6 2.4946 - 2.3476 1.00 2637 140 0.1906 0.1683 REMARK 3 7 2.3476 - 2.2300 1.00 2635 139 0.1888 0.1948 REMARK 3 8 2.2300 - 2.1330 1.00 2616 138 0.1752 0.2069 REMARK 3 9 2.1330 - 2.0509 1.00 2650 135 0.1680 0.1656 REMARK 3 10 2.0509 - 1.9801 1.00 2652 136 0.1673 0.1829 REMARK 3 11 1.9801 - 1.9182 1.00 2622 140 0.1746 0.2010 REMARK 3 12 1.9182 - 1.8634 1.00 2615 136 0.1763 0.1793 REMARK 3 13 1.8634 - 1.8143 1.00 2623 140 0.1810 0.2176 REMARK 3 14 1.8143 - 1.7701 1.00 2618 131 0.1856 0.2026 REMARK 3 15 1.7701 - 1.7298 1.00 2581 144 0.1816 0.1777 REMARK 3 16 1.7298 - 1.6930 1.00 2653 133 0.1862 0.2243 REMARK 3 17 1.6930 - 1.6592 1.00 2579 137 0.1827 0.1941 REMARK 3 18 1.6592 - 1.6278 1.00 2627 139 0.1894 0.2203 REMARK 3 19 1.6278 - 1.5988 1.00 2597 136 0.1995 0.2216 REMARK 3 20 1.5988 - 1.5717 1.00 2620 135 0.2012 0.2304 REMARK 3 21 1.5717 - 1.5463 1.00 2571 138 0.2100 0.2503 REMARK 3 22 1.5463 - 1.5225 1.00 2660 144 0.2103 0.2673 REMARK 3 23 1.5225 - 1.5001 1.00 2574 130 0.2172 0.2552 REMARK 3 24 1.5001 - 1.4790 1.00 2615 132 0.2249 0.2523 REMARK 3 25 1.4790 - 1.4590 1.00 2603 142 0.2332 0.2808 REMARK 3 26 1.4590 - 1.4401 1.00 2562 131 0.2460 0.2697 REMARK 3 27 1.4401 - 1.4221 1.00 2620 139 0.2430 0.2748 REMARK 3 28 1.4221 - 1.4049 0.96 2475 135 0.2646 0.2866 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) : 0.140 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.930 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL 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 1976 REMARK 3 ANGLE : 1.067 2716 REMARK 3 CHIRALITY : 0.079 299 REMARK 3 PLANARITY : 0.004 352 REMARK 3 DIHEDRAL : 11.698 729 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 2 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN H REMARK 3 ORIGIN FOR THE GROUP (A): 34.8223 19.1209 11.8111 REMARK 3 T TENSOR REMARK 3 T11: 0.1578 T22: 0.1651 REMARK 3 T33: 0.1405 T12: 0.0167 REMARK 3 T13: 0.0117 T23: 0.0019 REMARK 3 L TENSOR REMARK 3 L11: 1.2805 L22: 4.0172 REMARK 3 L33: 1.6197 L12: -1.5347 REMARK 3 L13: -0.8531 L23: 1.5531 REMARK 3 S TENSOR REMARK 3 S11: -0.0341 S12: -0.0129 S13: -0.1756 REMARK 3 S21: 0.1706 S22: -0.0706 S23: 0.2777 REMARK 3 S31: 0.1808 S32: -0.1303 S33: 0.1030 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN L REMARK 3 ORIGIN FOR THE GROUP (A): 55.1060 14.5684 9.3845 REMARK 3 T TENSOR REMARK 3 T11: 0.0921 T22: 0.0893 REMARK 3 T33: 0.1006 T12: 0.0284 REMARK 3 T13: 0.0122 T23: 0.0072 REMARK 3 L TENSOR REMARK 3 L11: 2.8645 L22: 1.7781 REMARK 3 L33: 1.2041 L12: 0.1904 REMARK 3 L13: -0.4138 L23: -0.3412 REMARK 3 S TENSOR REMARK 3 S11: 0.0628 S12: 0.0247 S13: -0.0222 REMARK 3 S21: -0.0412 S22: -0.0032 S23: 0.1022 REMARK 3 S31: -0.0232 S32: 0.0083 S33: -0.0450 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 5C2B COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUN-15. REMARK 100 THE DEPOSITION ID IS D_1000210636. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-AUG-13 REMARK 200 TEMPERATURE (KELVIN) : 80 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 17-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 77347 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.405 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 6.500 REMARK 200 R MERGE (I) : 0.03700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 22.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.48 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 6.70 REMARK 200 R MERGE FOR SHELL (I) : 0.54200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: E10 REMARK 200 REMARK 200 REMARK: VERY NICE BRICK LIKE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 66.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.60 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: THE CONCENTRATION OF 3B4 WAS 11 MG/ML REMARK 280 IN 20 MM TRIS, PH 7.5 AND 150 MM NACL. EACH DROP CONTAINED 0.15 REMARK 280 UL 3B4 AND 0.15 UL RESERVOIR SOLUTION CONTAINING 100 MM HEPES, REMARK 280 PH 7.5 AND 4300 MM NACL., VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 22.45000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 22.45000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 65.95000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 66.75000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 65.95000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 66.75000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 22.45000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 65.95000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 66.75000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 22.45000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 65.95000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 66.75000 REMARK 290 SMTRY3 8 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 300 REMARK: DIMER CONFIRMED BY GEL FILTRATION 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1480 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11320 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: H, L 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH H 370 LIES ON A SPECIAL POSITION. REMARK 375 HOH L 713 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY H 131 REMARK 465 SER H 132 REMARK 465 GLY H 133 REMARK 465 GLY H 134 REMARK 465 GLY H 135 REMARK 465 GLY H 136 REMARK 465 SER H 137 REMARK 465 GLY H 138 REMARK 465 GLY H 139 REMARK 465 GLY H 140 REMARK 465 GLY H 141 REMARK 465 SER H 142 REMARK 465 GLN L 1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP H 104 -158.15 -141.71 REMARK 500 ASP L 28 -94.56 -128.39 REMARK 500 VAL L 53 -48.02 71.56 REMARK 500 REMARK 500 REMARK: NULL 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 H 484 DISTANCE = 6.36 ANGSTROMS REMARK 525 HOH L 874 DISTANCE = 5.91 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL H 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL L 601 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL L 602 DBREF1 5C2B H 1 98 UNP A0A0B4J2H0_HUMAN DBREF2 5C2B H A0A0B4J2H0 20 117 DBREF 5C2B H 99 142 PDB 5C2B 5C2B 99 142 DBREF 5C2B L 1 92 UNP P04209 LV211_HUMAN 1 92 DBREF 5C2B L 93 112 PDB 5C2B 5C2B 93 112 SEQADV 5C2B ALA L 12 UNP P04209 GLY 12 CONFLICT SEQADV 5C2B SER L 26 UNP P04209 THR 26 CONFLICT SEQADV 5C2B ALA L 31 UNP P04209 GLY 31 CONFLICT SEQADV 5C2B TRP L 34 UNP P04209 PHE 34 CONFLICT SEQADV 5C2B PHE L 51 UNP P04209 TYR 51 CONFLICT SEQADV 5C2B ASN L 55 UNP P04209 SER 55 CONFLICT SEQADV 5C2B VAL L 60 UNP P04209 ILE 60 CONFLICT SEQADV 5C2B HIS L 62 UNP P04209 ASN 62 CONFLICT SEQRES 1 H 142 GLN VAL GLN LEU VAL GLN SER GLY ALA GLU VAL LYS LYS SEQRES 2 H 142 PRO GLY SER SER VAL LYS VAL SER CYS LYS ALA SER GLY SEQRES 3 H 142 GLY THR PHE SER SER TYR ALA ILE SER TRP VAL ARG GLN SEQRES 4 H 142 ALA PRO GLY GLN GLY LEU GLU TRP MET GLY GLY ILE ILE SEQRES 5 H 142 PRO ILE PHE GLY THR ALA ASN TYR ALA GLN LYS PHE GLN SEQRES 6 H 142 GLY ARG VAL THR ILE THR ALA ASP GLU SER THR SER THR SEQRES 7 H 142 ALA TYR MET GLU LEU SER SER LEU ARG SER GLU ASP THR SEQRES 8 H 142 ALA VAL TYR TYR CYS ALA ARG GLU PRO ASP TYR TYR ASP SEQRES 9 H 142 SER SER GLY TYR TYR PRO ILE ASP ALA PHE ASP ILE TRP SEQRES 10 H 142 GLY GLN GLY THR THR VAL THR VAL SER SER GLY GLY GLY SEQRES 11 H 142 GLY SER GLY GLY GLY GLY SER GLY GLY GLY GLY SER SEQRES 1 L 112 GLN SER ALA LEU THR GLN PRO ALA SER VAL SER ALA SER SEQRES 2 L 112 PRO GLY GLN SER ILE THR ILE SER CYS THR GLY THR SER SEQRES 3 L 112 SER ASP VAL GLY ALA TYR ASP TRP VAL SER TRP TYR GLN SEQRES 4 L 112 GLN HIS PRO GLY LYS ALA PRO LYS LEU LEU ILE PHE ASP SEQRES 5 L 112 VAL ASN ASN ARG PRO SER GLY VAL SER HIS ARG PHE SER SEQRES 6 L 112 GLY SER LYS SER GLY ASN THR ALA SER LEU THR ILE SER SEQRES 7 L 112 GLY LEU GLN ALA GLU ASP GLU ALA ASP TYR TYR CYS SER SEQRES 8 L 112 SER TYR THR ARG ARG ASP THR TYR VAL PHE GLY THR GLY SEQRES 9 L 112 THR LYS VAL THR VAL LEU GLY GLU HET CL H 201 1 HET CL L 601 1 HET CL L 602 1 HETNAM CL CHLORIDE ION FORMUL 3 CL 3(CL 1-) FORMUL 6 HOH *358(H2 O) HELIX 1 AA1 GLN H 62 GLN H 65 5 4 HELIX 2 AA2 GLU H 74 THR H 76 5 3 HELIX 3 AA3 ARG H 87 THR H 91 5 5 HELIX 4 AA4 GLN L 81 GLU L 85 5 5 SHEET 1 AA1 4 GLN H 3 GLN H 6 0 SHEET 2 AA1 4 VAL H 18 SER H 25 -1 O LYS H 23 N VAL H 5 SHEET 3 AA1 4 THR H 78 LEU H 83 -1 O MET H 81 N VAL H 20 SHEET 4 AA1 4 VAL H 68 ASP H 73 -1 N ASP H 73 O THR H 78 SHEET 1 AA2 4 GLU H 10 LYS H 12 0 SHEET 2 AA2 4 THR H 121 VAL H 125 1 O THR H 124 N GLU H 10 SHEET 3 AA2 4 ALA H 92 ASP H 104 -1 N TYR H 94 O THR H 121 SHEET 4 AA2 4 GLY H 107 PRO H 110 -1 O TYR H 109 N TYR H 102 SHEET 1 AA3 5 ALA H 58 TYR H 60 0 SHEET 2 AA3 5 LEU H 45 ILE H 51 -1 N GLY H 50 O ASN H 59 SHEET 3 AA3 5 TYR H 32 GLN H 39 -1 N TRP H 36 O MET H 48 SHEET 4 AA3 5 ALA H 92 ASP H 104 -1 O TYR H 95 N VAL H 37 SHEET 5 AA3 5 ILE H 116 TRP H 117 -1 O ILE H 116 N ARG H 98 SHEET 1 AA4 5 SER L 9 ALA L 12 0 SHEET 2 AA4 5 THR L 105 VAL L 109 1 O THR L 108 N VAL L 10 SHEET 3 AA4 5 ALA L 86 TYR L 93 -1 N ALA L 86 O VAL L 107 SHEET 4 AA4 5 VAL L 35 GLN L 40 -1 N GLN L 40 O ASP L 87 SHEET 5 AA4 5 LYS L 47 ILE L 50 -1 O LEU L 49 N TRP L 37 SHEET 1 AA5 4 SER L 9 ALA L 12 0 SHEET 2 AA5 4 THR L 105 VAL L 109 1 O THR L 108 N VAL L 10 SHEET 3 AA5 4 ALA L 86 TYR L 93 -1 N ALA L 86 O VAL L 107 SHEET 4 AA5 4 TYR L 99 PHE L 101 -1 O VAL L 100 N SER L 92 SHEET 1 AA6 3 ILE L 18 THR L 23 0 SHEET 2 AA6 3 THR L 72 ILE L 77 -1 O ILE L 77 N ILE L 18 SHEET 3 AA6 3 PHE L 64 SER L 69 -1 N SER L 65 O THR L 76 SSBOND *** CYS H 22 CYS H 96 1555 1555 2.05 SSBOND *** CYS L 22 CYS L 90 1555 1555 2.05 SITE *** AC1 2 LYS H 13 SER H 16 SITE *** AC2 2 LYS L 47 SER L 61 SITE *** AC3 2 HOH H 322 ALA L 45 CRYST1 131.900 133.500 44.900 90.00 90.00 90.00 C 2 2 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.007582 0.000000 0.000000 0.00000 SCALE2 0.000000 0.007491 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022272 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: L 94 THR OG1 : rot -135:sc= 0.923 USER MOD Set 1.2: L 98 THR OG1 : rot 165:sc= 1.46 USER MOD Set 2.1: L 39 GLN : amide:sc= 2.92 K(o=4.6,f=2.8) USER MOD Set 2.2: L 88 TYR OH : rot 170:sc= 1.71 USER MOD Set 3.1: L 19 THR OG1 : rot 2:sc= 1.23 USER MOD Set 3.2: L 76 THR OG1 : rot -66:sc= 1.48 USER MOD Set 4.1: L 23 THR OG1 : rot -66:sc= 0.00464 USER MOD Set 4.2: L 72 THR OG1 : rot 180:sc= 0.00485 USER MOD Set 5.1: L 67 SER OG A: rot -83:sc= 1.24 USER MOD Set 5.2: L 74 SER OG B: rot 81:sc= 0.348 USER MOD Set 6.1: L 36 SER OG A: rot -89:sc= 1.5 USER MOD Set 6.2: L 38 TYR OH : rot 102:sc= 1.89 USER MOD Set 7.1: L 25 THR OG1 : rot -68:sc= 1.63 USER MOD Set 7.2: L 27 SER OG : rot -71:sc= 2.12 USER MOD Set 8.1: L 13 SER OG B: rot -81:sc= 0.01 USER MOD Set 8.2: L 16 GLN : amide:sc= 1.39 X(o=1.4,f=1.2) USER MOD Set 9.1: L 6 GLN : amide:sc= 0.35 K(o=1.5,f=-5.9!) USER MOD Set 9.2: L 105 THR OG1 : rot -50:sc= 1.18 USER MOD Set10.1: H 39 GLN : amide:sc= 1.91 K(o=8.7,f=4.9!) USER MOD Set10.2: H 95 TYR OH : rot 20:sc= 2.46 USER MOD Set10.3: L 40 GLN : amide:sc= 2.04 K(o=8.7,f=4.9) USER MOD Set10.4: L 89 TYR OH : rot -136:sc= 2.25 USER MOD Set11.1: H 76 THR OG1 : rot -96:sc= 0.533 USER MOD Set11.2: H 78 THR OG1 : rot 180:sc= 0 USER MOD Set12.1: H 7 SER OG : rot 112:sc= 1.56 USER MOD Set12.2: H 21 SER OG : rot 180:sc= -0.0209 USER MOD Set13.1: H 6 GLN : amide:sc= 1.1 K(o=2,f=-6.1!) USER MOD Set13.2: H 121 THR OG1 : rot -86:sc= 0.921 USER MOD Single : H 1 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.6) USER MOD Single : H 1 GLN N :NH3+ -177:sc= -0.353 (180deg=-0.379) USER MOD Single : H 3 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.28) USER MOD Single : H 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : H 13 LYS NZ :NH3+ -175:sc= 1.54 (180deg=1.52) USER MOD Single : H 16 SER OG A: rot -97:sc= -0.255 USER MOD Single : H 16 SER OG B: rot 177:sc= 3.02 USER MOD Single : H 17 SER OG : rot -51:sc= 0.916 USER MOD Single : H 19 LYS NZ :NH3+ -175:sc= 0.485 (180deg=0.474) USER MOD Single : H 23 LYS NZ :NH3+ -162:sc= -0.0772 (180deg=-0.624) USER MOD Single : H 25 SER OG : rot -88:sc= 1.12 USER MOD Single : H 28 THR OG1 : rot 180:sc= 0 USER MOD Single : H 30 SER OG : rot -9:sc= 0.401 USER MOD Single : H 31 SER OG A: rot -66:sc= 0.00623 USER MOD Single : H 31 SER OG B: rot 161:sc= 0.379 USER MOD Single : H 32 TYR OH : rot 180:sc= 0 USER MOD Single : H 35 SER OG : rot 155:sc= 0.469 USER MOD Single : H 43 GLN : amide:sc= -0.0531 X(o=-0.053,f=-0.15) USER MOD Single : H 48 MET CE A:methyl 134:sc= -0.107 (180deg=-0.529) USER MOD Single : H 48 MET CE B:methyl -144:sc= -0.467 (180deg=-1.98!) USER MOD Single : H 57 THR OG1 : rot 180:sc= 0 USER MOD Single : H 59 ASN A: amide:sc= 0.00712 X(o=0.0071,f=0.12) USER MOD Single : H 59 ASN B: amide:sc= 1.64 K(o=1.6,f=0.31) USER MOD Single : H 60 TYR OH : rot -174:sc= 1.77 USER MOD Single : H 62 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.71) USER MOD Single : H 63 LYS NZ :NH3+ 156:sc= 1.3 (180deg=1.03) USER MOD Single : H 65 GLN : amide:sc= 0.468 K(o=0.47,f=-0.075) USER MOD Single : H 69 THR OG1 : rot 137:sc= 0.00616 USER MOD Single : H 71 THR OG1 : rot 155:sc= 2.22 USER MOD Single : H 75 SER OG : rot -74:sc= 0.781 USER MOD Single : H 77 SER OG A: rot -1:sc= 0.81 USER MOD Single : H 77 SER OG B: rot 180:sc= 0 USER MOD Single : H 80 TYR OH : rot 180:sc= 0 USER MOD Single : H 81 MET CE A:methyl -156:sc= -0.23 (180deg=-0.937) USER MOD Single : H 81 MET CE B:methyl -115:sc= -0.06 (180deg=-2.13!) USER MOD Single : H 84 SER OG A: rot -96:sc= 0 USER MOD Single : H 84 SER OG B: rot 90:sc= 0.699 USER MOD Single : H 85 SER OG : rot 61:sc= 1.14 USER MOD Single : H 88 SER OG : rot 117:sc= 2.16 USER MOD Single : H 91 THR OG1 : rot 134:sc= 1.58 USER MOD Single : H 94 TYR OH : rot -22:sc= 1.39 USER MOD Single : H 102 TYR OH : rot -173:sc= 2.59 USER MOD Single : H 103 TYR OH : rot 180:sc= 0.394 USER MOD Single : H 105 SER OG : rot -87:sc= 1.25 USER MOD Single : H 106 SER OG : rot -49:sc= 1.37 USER MOD Single : H 108 TYR OH : rot 180:sc= 0 USER MOD Single : H 109 TYR OH : rot 30:sc= 0.585 USER MOD Single : H 119 GLN : amide:sc= 1.83 K(o=1.8,f=-11!) USER MOD Single : H 122 THR OG1 : rot -130:sc= 1.24 USER MOD Single : H 124 THR OG1 : rot 79:sc= 2.33 USER MOD Single : H 126 SER OG : rot 167:sc= 1.24 USER MOD Single : H 127 SER OG : rot 119:sc= 0.00279 USER MOD Single : L 2 SER OG : rot -120:sc= 1.79 USER MOD Single : L 5 THR OG1A: rot 94:sc= 0.885 USER MOD Single : L 5 THR OG1B: rot -93:sc= 0.542 USER MOD Single : L 9 SER OG : rot 180:sc= 0 USER MOD Single : L 11 SER OG : rot 67:sc= -0.205! USER MOD Single : L 13 SER OG A: rot 93:sc= 0.112 USER MOD Single : L 17 SER OG A: rot -83:sc= 2.3 USER MOD Single : L 17 SER OG B: rot -156:sc= 1.28 USER MOD Single : L 21 SER OG : rot 180:sc= 0 USER MOD Single : L 26 SER OG : rot 88:sc= 1.22 USER MOD Single : L 32 TYR OH A: rot 180:sc= 0 USER MOD Single : L 32 TYR OH B: rot 180:sc= 0 USER MOD Single : L 36 SER OG B: rot 121:sc= 1.69 USER MOD Single : L 41 HIS : no HD1:sc= 2.09 K(o=2.1,f=-3.7!) USER MOD Single : L 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : L 47 LYS NZ :NH3+ -176:sc= 1.09 (180deg=1.08) USER MOD Single : L 54 ASN : amide:sc= 0.0581 K(o=0.058,f=-3.7!) USER MOD Single : L 55 ASN : amide:sc= 1.16 K(o=1.2,f=-2.9!) USER MOD Single : L 58 SER OG : rot 180:sc= 0 USER MOD Single : L 61 SER OG : rot 117:sc= 0.46 USER MOD Single : L 62 HIS A: no HE2:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : L 62 HIS B: no HE2:sc= 1.02 K(o=1,f=-3.2!) USER MOD Single : L 65 SER OG : rot -89:sc= 2.23 USER MOD Single : L 67 SER OG B: rot -104:sc= 0.566 USER MOD Single : L 68 LYS NZ :NH3+ -129:sc= 1.55 (180deg=0.677) USER MOD Single : L 69 SER OG : rot 180:sc= 0 USER MOD Single : L 71 ASN : amide:sc= -0.556 K(o=-0.56,f=-2.7!) USER MOD Single : L 74 SER OG A: rot 87:sc= 2.29 USER MOD Single : L 78 SER OG : rot -127:sc= 0.37 USER MOD Single : L 81 GLN : amide:sc= 0.358 K(o=0.36,f=-0.28!) USER MOD Single : L 91 SER OG : rot 34:sc= 1.44 USER MOD Single : L 92 SER OG : rot -72:sc= 1.02 USER MOD Single : L 93 TYR OH : rot 180:sc= 0.707 USER MOD Single : L 99 TYR OH : rot -3:sc= 0.813 USER MOD Single : L 103 THR OG1 : rot 93:sc= 1.49 USER MOD Single : L 106 LYS NZ A:NH3+ 152:sc= -0.178 (180deg=-0.667) USER MOD Single : L 106 LYS NZ B:NH3+ -170:sc= 0.826 (180deg=0.767) USER MOD Single : L 108 THR OG1 : rot 74:sc= 1.34 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN H 1 36.068 10.840 -6.216 1.00 51.63 N ANISOU 1 N GLN H 1 7607 6349 5660 1209 -887 -935 N ATOM 2 CA GLN H 1 35.976 12.275 -6.463 1.00 43.37 C ANISOU 2 CA GLN H 1 6669 5338 4473 1333 -874 -856 C ATOM 3 C GLN H 1 35.382 13.012 -5.270 1.00 36.75 C ANISOU 3 C GLN H 1 5636 4561 3766 1219 -869 -829 C ATOM 4 O GLN H 1 34.928 14.149 -5.404 1.00 41.32 O ANISOU 4 O GLN H 1 6268 5177 4254 1324 -916 -819 O ATOM 5 CB GLN H 1 35.126 12.560 -7.705 1.00 52.89 C ANISOU 5 CB GLN H 1 7948 6550 5596 1520 -1047 -926 C ATOM 6 CG GLN H 1 35.606 11.883 -8.978 1.00 63.46 C ANISOU 6 CG GLN H 1 9464 7825 6822 1637 -1054 -924 C ATOM 7 CD GLN H 1 36.951 12.403 -9.449 1.00 69.43 C ANISOU 7 CD GLN H 1 10448 8508 7425 1694 -824 -729 C ATOM 8 OE1 GLN H 1 37.475 13.385 -8.919 1.00 73.63 O ANISOU 8 OE1 GLN H 1 11007 9032 7937 1660 -665 -601 O ATOM 9 NE2 GLN H 1 37.520 11.743 -10.454 1.00 66.64 N ANISOU 9 NE2 GLN H 1 10249 8091 6981 1773 -794 -714 N ATOM 0 H1 GLN H 1 36.458 10.443 -6.911 1.00 51.63 H new ATOM 0 H2 GLN H 1 36.551 10.695 -5.483 1.00 51.63 H new ATOM 0 H3 GLN H 1 35.251 10.505 -6.103 1.00 51.63 H new ATOM 0 HA GLN H 1 36.880 12.596 -6.608 1.00 43.37 H new ATOM 0 HB2 GLN H 1 34.215 12.279 -7.529 1.00 52.89 H new ATOM 0 HB3 GLN H 1 35.104 13.518 -7.853 1.00 52.89 H new ATOM 0 HG2 GLN H 1 35.668 10.927 -8.827 1.00 63.46 H new ATOM 0 HG3 GLN H 1 34.949 12.017 -9.678 1.00 63.46 H new ATOM 0 HE21 GLN H 1 37.125 11.062 -10.799 1.00 66.64 H new ATOM 0 HE22 GLN H 1 38.283 11.998 -10.758 1.00 66.64 H new ATOM 10 N VAL H 2 35.383 12.358 -4.109 1.00 35.46 N ANISOU 10 N VAL H 2 5265 4397 3813 1014 -800 -807 N ATOM 11 CA VAL H 2 34.811 12.941 -2.892 1.00 39.54 C ANISOU 11 CA VAL H 2 5597 4959 4465 895 -773 -774 C ATOM 12 C VAL H 2 35.466 14.272 -2.524 1.00 33.29 C ANISOU 12 C VAL H 2 4878 4187 3583 920 -645 -612 C ATOM 13 O VAL H 2 36.691 14.394 -2.530 1.00 31.67 O ANISOU 13 O VAL H 2 4769 3942 3323 912 -492 -486 O ATOM 14 CB VAL H 2 34.920 11.971 -1.692 1.00 41.46 C ANISOU 14 CB VAL H 2 5676 5171 4908 692 -673 -745 C ATOM 15 CG1 VAL H 2 34.374 12.611 -0.423 1.00 40.02 C ANISOU 15 CG1 VAL H 2 5343 5025 4839 587 -620 -700 C ATOM 16 CG2 VAL H 2 34.181 10.682 -1.985 1.00 46.10 C ANISOU 16 CG2 VAL H 2 6175 5715 5625 645 -770 -916 C ATOM 0 H VAL H 2 35.712 11.570 -4.003 1.00 35.46 H new ATOM 0 HA VAL H 2 33.875 13.103 -3.088 1.00 39.54 H new ATOM 0 HB VAL H 2 35.859 11.770 -1.553 1.00 41.46 H new ATOM 0 HG11 VAL H 2 34.452 11.986 0.315 1.00 40.02 H new ATOM 0 HG12 VAL H 2 34.880 13.413 -0.221 1.00 40.02 H new ATOM 0 HG13 VAL H 2 33.441 12.842 -0.553 1.00 40.02 H new ATOM 0 HG21 VAL H 2 34.258 10.085 -1.225 1.00 46.10 H new ATOM 0 HG22 VAL H 2 33.245 10.876 -2.150 1.00 46.10 H new ATOM 0 HG23 VAL H 2 34.566 10.259 -2.768 1.00 46.10 H new ATOM 17 N GLN H 3 34.649 15.279 -2.227 1.00 23.98 N ANISOU 17 N GLN H 3 3643 3062 2407 953 -705 -632 N ATOM 18 CA GLN H 3 35.184 16.537 -1.723 1.00 22.80 C ANISOU 18 CA GLN H 3 3537 2921 2206 953 -577 -491 C ATOM 19 C GLN H 3 34.295 17.090 -0.617 1.00 19.86 C ANISOU 19 C GLN H 3 2985 2604 1958 865 -602 -507 C ATOM 20 O GLN H 3 33.122 16.725 -0.513 1.00 21.98 O ANISOU 20 O GLN H 3 3119 2904 2329 850 -732 -643 O ATOM 21 CB GLN H 3 35.360 17.556 -2.848 1.00 30.97 C ANISOU 21 CB GLN H 3 4803 3933 3029 1153 -580 -462 C ATOM 22 CG GLN H 3 34.076 18.161 -3.364 1.00 41.20 C ANISOU 22 CG GLN H 3 6121 5278 4255 1307 -774 -581 C ATOM 23 CD GLN H 3 34.328 19.239 -4.403 1.00 44.86 C ANISOU 23 CD GLN H 3 6841 5684 4519 1510 -729 -511 C ATOM 24 OE1 GLN H 3 33.886 20.377 -4.253 1.00 47.77 O ANISOU 24 OE1 GLN H 3 7224 6058 4867 1571 -723 -481 O ATOM 25 NE2 GLN H 3 35.040 18.881 -5.465 1.00 49.40 N ANISOU 25 NE2 GLN H 3 7597 6174 4998 1598 -661 -468 N ATOM 0 H GLN H 3 33.793 15.254 -2.309 1.00 23.98 H new ATOM 0 HA GLN H 3 36.062 16.362 -1.349 1.00 22.80 H new ATOM 0 HB2 GLN H 3 35.935 18.271 -2.533 1.00 30.97 H new ATOM 0 HB3 GLN H 3 35.820 17.127 -3.586 1.00 30.97 H new ATOM 0 HG2 GLN H 3 33.524 17.463 -3.751 1.00 41.20 H new ATOM 0 HG3 GLN H 3 33.577 18.539 -2.623 1.00 41.20 H new ATOM 0 HE21 GLN H 3 35.332 18.075 -5.535 1.00 49.40 H new ATOM 0 HE22 GLN H 3 35.209 19.455 -6.083 1.00 49.40 H new ATOM 26 N LEU H 4 34.870 17.971 0.200 1.00 18.04 N ANISOU 26 N LEU H 4 2746 2376 1733 809 -471 -383 N ATOM 27 CA LEU H 4 34.169 18.611 1.308 1.00 16.05 C ANISOU 27 CA LEU H 4 2353 2169 1577 734 -467 -378 C ATOM 28 C LEU H 4 34.242 20.110 1.094 1.00 21.63 C ANISOU 28 C LEU H 4 3160 2883 2176 836 -435 -318 C ATOM 29 O LEU H 4 35.326 20.653 0.875 1.00 19.84 O ANISOU 29 O LEU H 4 3055 2609 1874 860 -309 -217 O ATOM 30 CB LEU H 4 34.847 18.267 2.634 1.00 17.33 C ANISOU 30 CB LEU H 4 2428 2318 1841 579 -340 -289 C ATOM 31 CG LEU H 4 34.880 16.778 2.978 1.00 18.26 C ANISOU 31 CG LEU H 4 2479 2403 2057 481 -333 -323 C ATOM 32 CD1 LEU H 4 35.688 16.563 4.231 1.00 19.18 C ANISOU 32 CD1 LEU H 4 2568 2499 2221 382 -218 -224 C ATOM 33 CD2 LEU H 4 33.472 16.268 3.163 1.00 24.29 C ANISOU 33 CD2 LEU H 4 3108 3177 2944 436 -411 -451 C ATOM 0 H LEU H 4 35.691 18.216 0.124 1.00 18.04 H new ATOM 0 HA LEU H 4 33.250 18.304 1.339 1.00 16.05 H new ATOM 0 HB2 LEU H 4 35.758 18.600 2.612 1.00 17.33 H new ATOM 0 HB3 LEU H 4 34.390 18.739 3.347 1.00 17.33 H new ATOM 0 HG LEU H 4 35.296 16.287 2.252 1.00 18.26 H new ATOM 0 HD11 LEU H 4 35.707 15.617 4.446 1.00 19.18 H new ATOM 0 HD12 LEU H 4 36.594 16.880 4.091 1.00 19.18 H new ATOM 0 HD13 LEU H 4 35.285 17.053 4.965 1.00 19.18 H new ATOM 0 HD21 LEU H 4 33.496 15.323 3.381 1.00 24.29 H new ATOM 0 HD22 LEU H 4 33.043 16.755 3.884 1.00 24.29 H new ATOM 0 HD23 LEU H 4 32.970 16.397 2.343 1.00 24.29 H new ATOM 34 N VAL H 5 33.097 20.777 1.149 1.00 17.22 N ANISOU 34 N VAL H 5 2545 2370 1627 897 -537 -388 N ATOM 35 CA VAL H 5 33.061 22.232 1.014 1.00 16.56 C ANISOU 35 CA VAL H 5 2564 2284 1443 1000 -505 -331 C ATOM 36 C VAL H 5 32.350 22.796 2.232 1.00 16.48 C ANISOU 36 C VAL H 5 2389 2322 1553 911 -495 -338 C ATOM 37 O VAL H 5 31.257 22.344 2.586 1.00 18.45 O ANISOU 37 O VAL H 5 2477 2615 1920 874 -592 -448 O ATOM 38 CB VAL H 5 32.362 22.681 -0.289 1.00 18.19 C ANISOU 38 CB VAL H 5 2923 2492 1496 1228 -653 -412 C ATOM 39 CG1 VAL H 5 32.284 24.203 -0.356 1.00 20.34 C ANISOU 39 CG1 VAL H 5 3320 2744 1662 1342 -602 -343 C ATOM 40 CG2 VAL H 5 33.107 22.126 -1.508 1.00 21.28 C ANISOU 40 CG2 VAL H 5 3520 2824 1741 1333 -643 -400 C ATOM 0 H VAL H 5 32.328 20.409 1.264 1.00 17.22 H new ATOM 0 HA VAL H 5 33.969 22.570 0.962 1.00 16.56 H new ATOM 0 HB VAL H 5 31.458 22.329 -0.293 1.00 18.19 H new ATOM 0 HG11 VAL H 5 31.843 24.469 -1.178 1.00 20.34 H new ATOM 0 HG12 VAL H 5 31.779 24.535 0.403 1.00 20.34 H new ATOM 0 HG13 VAL H 5 33.180 24.574 -0.335 1.00 20.34 H new ATOM 0 HG21 VAL H 5 32.660 22.414 -2.319 1.00 21.28 H new ATOM 0 HG22 VAL H 5 34.019 22.456 -1.508 1.00 21.28 H new ATOM 0 HG23 VAL H 5 33.114 21.157 -1.470 1.00 21.28 H new ATOM 41 N GLN H 6 32.970 23.796 2.863 1.00 15.19 N ANISOU 41 N GLN H 6 2261 2137 1372 876 -366 -231 N ATOM 42 CA GLN H 6 32.455 24.401 4.088 1.00 14.71 C ANISOU 42 CA GLN H 6 2072 2113 1406 795 -334 -223 C ATOM 43 C GLN H 6 31.767 25.746 3.863 1.00 15.10 C ANISOU 43 C GLN H 6 2174 2172 1392 919 -370 -233 C ATOM 44 O GLN H 6 31.963 26.401 2.834 1.00 16.93 O ANISOU 44 O GLN H 6 2585 2364 1484 1070 -378 -210 O ATOM 45 CB GLN H 6 33.599 24.590 5.081 1.00 14.20 C ANISOU 45 CB GLN H 6 1998 2019 1377 675 -187 -122 C ATOM 46 CG GLN H 6 34.285 23.288 5.424 1.00 14.79 C ANISOU 46 CG GLN H 6 2028 2082 1510 573 -160 -111 C ATOM 47 CD GLN H 6 35.449 23.464 6.367 1.00 14.21 C ANISOU 47 CD GLN H 6 1945 1984 1469 491 -56 -40 C ATOM 48 OE1 GLN H 6 36.514 22.884 6.163 1.00 14.36 O ANISOU 48 OE1 GLN H 6 1996 1968 1492 470 -15 -14 O ATOM 49 NE2 GLN H 6 35.256 24.249 7.421 1.00 17.75 N ANISOU 49 NE2 GLN H 6 2344 2451 1948 454 -25 -24 N ATOM 0 H GLN H 6 33.707 24.143 2.588 1.00 15.19 H new ATOM 0 HA GLN H 6 31.783 23.793 4.434 1.00 14.71 H new ATOM 0 HB2 GLN H 6 34.249 25.207 4.709 1.00 14.20 H new ATOM 0 HB3 GLN H 6 33.256 24.995 5.893 1.00 14.20 H new ATOM 0 HG2 GLN H 6 33.640 22.684 5.824 1.00 14.79 H new ATOM 0 HG3 GLN H 6 34.598 22.868 4.607 1.00 14.79 H new ATOM 0 HE21 GLN H 6 34.498 24.640 7.533 1.00 17.75 H new ATOM 0 HE22 GLN H 6 35.889 24.367 7.991 1.00 17.75 H new ATOM 50 N SER H 7 30.981 26.167 4.853 1.00 15.40 N ANISOU 50 N SER H 7 2077 2252 1524 864 -373 -261 N ATOM 51 CA SER H 7 30.305 27.465 4.820 1.00 16.38 C ANISOU 51 CA SER H 7 2233 2385 1605 974 -400 -271 C ATOM 52 C SER H 7 31.281 28.628 5.040 1.00 17.74 C ANISOU 52 C SER H 7 2540 2496 1706 976 -252 -151 C ATOM 53 O SER H 7 32.437 28.425 5.420 1.00 16.43 O ANISOU 53 O SER H 7 2393 2290 1560 871 -135 -80 O ATOM 54 CB SER H 7 29.175 27.502 5.848 1.00 18.77 C ANISOU 54 CB SER H 7 2339 2742 2051 906 -426 -346 C ATOM 55 OG SER H 7 29.626 27.093 7.130 1.00 17.74 O ANISOU 55 OG SER H 7 2126 2606 2007 733 -302 -290 O ATOM 0 H SER H 7 30.824 25.708 5.563 1.00 15.40 H new ATOM 0 HA SER H 7 29.926 27.575 3.934 1.00 16.38 H new ATOM 0 HB2 SER H 7 28.814 28.401 5.902 1.00 18.77 H new ATOM 0 HB3 SER H 7 28.453 26.923 5.558 1.00 18.77 H new ATOM 0 HG SER H 7 29.615 27.750 7.654 1.00 17.74 H new ATOM 56 N GLY H 8 30.802 29.848 4.808 1.00 19.21 N ANISOU 56 N GLY H 8 2807 2664 1826 1099 -260 -146 N ATOM 57 CA GLY H 8 31.645 31.034 4.835 1.00 18.09 C ANISOU 57 CA GLY H 8 2811 2437 1625 1117 -108 -48 C ATOM 58 C GLY H 8 31.991 31.574 6.211 1.00 16.61 C ANISOU 58 C GLY H 8 2519 2251 1542 973 -3 -16 C ATOM 59 O GLY H 8 31.495 31.111 7.246 1.00 16.83 O ANISOU 59 O GLY H 8 2382 2347 1667 872 -40 -56 O ATOM 0 H GLY H 8 29.976 30.009 4.630 1.00 19.21 H new ATOM 0 HA2 GLY H 8 32.472 30.832 4.369 1.00 18.09 H new ATOM 0 HA3 GLY H 8 31.201 31.736 4.334 1.00 18.09 H new ATOM 60 N ALA H 9 32.826 32.610 6.209 1.00 18.43 N ANISOU 60 N ALA H 9 2862 2389 1751 975 141 49 N ATOM 61 CA ALA H 9 33.397 33.159 7.439 1.00 16.35 C ANISOU 61 CA ALA H 9 2516 2110 1587 846 236 62 C ATOM 62 C ALA H 9 32.353 33.763 8.360 1.00 16.23 C ANISOU 62 C ALA H 9 2413 2152 1603 850 187 27 C ATOM 63 O ALA H 9 31.294 34.230 7.921 1.00 19.00 O ANISOU 63 O ALA H 9 2796 2521 1901 975 116 2 O ATOM 64 CB ALA H 9 34.459 34.198 7.104 1.00 19.03 C ANISOU 64 CB ALA H 9 2985 2317 1929 851 411 112 C ATOM 0 H ALA H 9 33.078 33.016 5.494 1.00 18.43 H new ATOM 0 HA ALA H 9 33.798 32.416 7.917 1.00 16.35 H new ATOM 0 HB1 ALA H 9 34.832 34.556 7.925 1.00 19.03 H new ATOM 0 HB2 ALA H 9 35.164 33.784 6.583 1.00 19.03 H new ATOM 0 HB3 ALA H 9 34.058 34.917 6.591 1.00 19.03 H new ATOM 65 N GLU H 10 32.672 33.762 9.651 1.00 15.46 N ANISOU 65 N GLU H 10 2212 2076 1587 727 221 15 N ATOM 66 CA GLU H 10 31.819 34.337 10.679 1.00 17.87 C ANISOU 66 CA GLU H 10 2444 2422 1923 718 208 -15 C ATOM 67 C GLU H 10 32.641 35.279 11.549 1.00 17.71 C ANISOU 67 C GLU H 10 2441 2345 1943 655 303 -10 C ATOM 68 O GLU H 10 33.813 35.014 11.836 1.00 17.49 O ANISOU 68 O GLU H 10 2401 2285 1960 574 343 -12 O ATOM 69 CB GLU H 10 31.233 33.227 11.557 1.00 23.01 C ANISOU 69 CB GLU H 10 2963 3156 2623 640 154 -50 C ATOM 70 CG GLU H 10 30.630 32.064 10.785 1.00 30.43 C ANISOU 70 CG GLU H 10 3854 4139 3568 663 67 -81 C ATOM 71 CD GLU H 10 29.152 32.229 10.533 1.00 43.85 C ANISOU 71 CD GLU H 10 5479 5884 5299 746 -9 -151 C ATOM 72 OE1 GLU H 10 28.511 31.235 10.130 1.00 45.46 O ANISOU 72 OE1 GLU H 10 5596 6125 5551 747 -84 -213 O ATOM 73 OE2 GLU H 10 28.630 33.347 10.735 1.00 45.47 O ANISOU 73 OE2 GLU H 10 5700 6083 5495 813 4 -160 O ATOM 0 H GLU H 10 33.401 33.422 9.956 1.00 15.46 H new ATOM 0 HA GLU H 10 31.096 34.824 10.254 1.00 17.87 H new ATOM 0 HB2 GLU H 10 31.931 32.887 12.138 1.00 23.01 H new ATOM 0 HB3 GLU H 10 30.549 33.610 12.129 1.00 23.01 H new ATOM 0 HG2 GLU H 10 31.090 31.973 9.936 1.00 30.43 H new ATOM 0 HG3 GLU H 10 30.779 31.242 11.278 1.00 30.43 H new ATOM 74 N VAL H 11 32.028 36.390 11.943 1.00 16.44 N ANISOU 74 N VAL H 11 2299 2168 1779 701 329 -20 N ATOM 75 CA VAL H 11 32.613 37.317 12.908 1.00 17.41 C ANISOU 75 CA VAL H 11 2424 2242 1949 645 402 -41 C ATOM 76 C VAL H 11 31.638 37.399 14.071 1.00 17.29 C ANISOU 76 C VAL H 11 2337 2296 1935 637 367 -75 C ATOM 77 O VAL H 11 30.452 37.683 13.876 1.00 21.21 O ANISOU 77 O VAL H 11 2821 2825 2412 716 341 -80 O ATOM 78 CB VAL H 11 32.834 38.723 12.295 1.00 20.72 C ANISOU 78 CB VAL H 11 2964 2544 2365 711 507 -21 C ATOM 79 CG1 VAL H 11 33.434 39.665 13.328 1.00 23.32 C ANISOU 79 CG1 VAL H 11 3275 2816 2772 641 577 -70 C ATOM 80 CG2 VAL H 11 33.733 38.636 11.068 1.00 22.73 C ANISOU 80 CG2 VAL H 11 3320 2705 2612 730 588 21 C ATOM 0 H VAL H 11 31.254 36.630 11.656 1.00 16.44 H new ATOM 0 HA VAL H 11 33.485 37.000 13.190 1.00 17.41 H new ATOM 0 HB VAL H 11 31.973 39.076 12.020 1.00 20.72 H new ATOM 0 HG11 VAL H 11 33.566 40.540 12.930 1.00 23.32 H new ATOM 0 HG12 VAL H 11 32.832 39.742 14.084 1.00 23.32 H new ATOM 0 HG13 VAL H 11 34.287 39.315 13.629 1.00 23.32 H new ATOM 0 HG21 VAL H 11 33.861 39.523 10.697 1.00 22.73 H new ATOM 0 HG22 VAL H 11 34.592 38.265 11.322 1.00 22.73 H new ATOM 0 HG23 VAL H 11 33.319 38.065 10.403 1.00 22.73 H new ATOM 81 N LYS H 12 32.131 37.133 15.283 1.00 15.35 N ANISOU 81 N LYS H 12 2051 2070 1710 558 365 -106 N ATOM 82 CA LYS H 12 31.287 36.975 16.462 1.00 16.92 C ANISOU 82 CA LYS H 12 2211 2325 1892 551 358 -129 C ATOM 83 C LYS H 12 31.918 37.673 17.653 1.00 15.61 C ANISOU 83 C LYS H 12 2078 2128 1724 524 378 -176 C ATOM 84 O LYS H 12 33.142 37.777 17.731 1.00 18.43 O ANISOU 84 O LYS H 12 2444 2443 2114 485 364 -210 O ATOM 85 CB LYS H 12 31.175 35.487 16.805 1.00 19.36 C ANISOU 85 CB LYS H 12 2478 2690 2188 505 326 -118 C ATOM 86 CG LYS H 12 30.509 34.635 15.735 1.00 21.08 C ANISOU 86 CG LYS H 12 2644 2941 2426 523 292 -100 C ATOM 87 CD LYS H 12 29.002 34.819 15.768 1.00 25.53 C ANISOU 87 CD LYS H 12 3138 3538 3024 569 302 -131 C ATOM 88 CE LYS H 12 28.316 33.977 14.695 1.00 29.82 C ANISOU 88 CE LYS H 12 3607 4113 3610 597 237 -154 C ATOM 89 NZ LYS H 12 26.835 34.109 14.781 1.00 36.36 N ANISOU 89 NZ LYS H 12 4323 4973 4518 641 236 -222 N ATOM 0 H LYS H 12 32.971 37.039 15.442 1.00 15.35 H new ATOM 0 HA LYS H 12 30.416 37.357 16.273 1.00 16.92 H new ATOM 0 HB2 LYS H 12 32.065 35.138 16.971 1.00 19.36 H new ATOM 0 HB3 LYS H 12 30.675 35.395 17.631 1.00 19.36 H new ATOM 0 HG2 LYS H 12 30.851 34.879 14.861 1.00 21.08 H new ATOM 0 HG3 LYS H 12 30.729 33.701 15.875 1.00 21.08 H new ATOM 0 HD2 LYS H 12 28.663 34.571 16.642 1.00 25.53 H new ATOM 0 HD3 LYS H 12 28.785 35.755 15.635 1.00 25.53 H new ATOM 0 HE2 LYS H 12 28.619 34.256 13.817 1.00 29.82 H new ATOM 0 HE3 LYS H 12 28.568 33.046 14.799 1.00 29.82 H new ATOM 0 HZ1 LYS H 12 26.455 33.611 14.148 1.00 36.36 H new ATOM 0 HZ2 LYS H 12 26.558 33.833 15.581 1.00 36.36 H new ATOM 0 HZ3 LYS H 12 26.605 34.961 14.665 1.00 36.36 H new ATOM 90 N LYS H 13 31.089 38.157 18.571 1.00 15.95 N ANISOU 90 N LYS H 13 2131 2189 1742 550 408 -196 N ATOM 91 CA LYS H 13 31.591 38.669 19.847 1.00 15.70 C ANISOU 91 CA LYS H 13 2146 2136 1682 541 407 -255 C ATOM 92 C LYS H 13 31.742 37.526 20.840 1.00 16.48 C ANISOU 92 C LYS H 13 2276 2278 1709 528 377 -256 C ATOM 93 O LYS H 13 31.065 36.501 20.718 1.00 17.38 O ANISOU 93 O LYS H 13 2370 2429 1807 519 402 -207 O ATOM 94 CB LYS H 13 30.640 39.716 20.425 1.00 16.95 C ANISOU 94 CB LYS H 13 2329 2284 1827 589 467 -274 C ATOM 95 CG LYS H 13 30.534 40.982 19.583 1.00 19.25 C ANISOU 95 CG LYS H 13 2629 2513 2173 625 504 -274 C ATOM 96 CD LYS H 13 29.433 41.880 20.104 1.00 20.96 C ANISOU 96 CD LYS H 13 2861 2728 2377 686 559 -289 C ATOM 97 CE LYS H 13 29.198 43.036 19.160 1.00 21.89 C ANISOU 97 CE LYS H 13 3011 2776 2530 750 596 -274 C ATOM 98 NZ LYS H 13 28.023 43.844 19.569 1.00 27.13 N ANISOU 98 NZ LYS H 13 3677 3444 3187 828 639 -291 N ATOM 0 H LYS H 13 30.235 38.199 18.478 1.00 15.95 H new ATOM 0 HA LYS H 13 32.454 39.083 19.689 1.00 15.70 H new ATOM 0 HB2 LYS H 13 29.758 39.324 20.517 1.00 16.95 H new ATOM 0 HB3 LYS H 13 30.938 39.955 21.317 1.00 16.95 H new ATOM 0 HG2 LYS H 13 31.379 41.457 19.597 1.00 19.25 H new ATOM 0 HG3 LYS H 13 30.356 40.747 18.659 1.00 19.25 H new ATOM 0 HD2 LYS H 13 28.615 41.370 20.208 1.00 20.96 H new ATOM 0 HD3 LYS H 13 29.671 42.216 20.982 1.00 20.96 H new ATOM 0 HE2 LYS H 13 29.987 43.600 19.135 1.00 21.89 H new ATOM 0 HE3 LYS H 13 29.062 42.698 18.261 1.00 21.89 H new ATOM 0 HZ1 LYS H 13 27.866 44.471 18.957 1.00 27.13 H new ATOM 0 HZ2 LYS H 13 27.310 43.316 19.642 1.00 27.13 H new ATOM 0 HZ3 LYS H 13 28.187 44.230 20.354 1.00 27.13 H new ATOM 99 N PRO H 14 32.628 37.693 21.828 1.00 16.08 N ANISOU 99 N PRO H 14 2285 2210 1616 539 321 -323 N ATOM 100 CA PRO H 14 32.670 36.684 22.890 1.00 15.61 C ANISOU 100 CA PRO H 14 2312 2176 1444 570 298 -318 C ATOM 101 C PRO H 14 31.294 36.460 23.500 1.00 16.64 C ANISOU 101 C PRO H 14 2492 2319 1513 594 418 -268 C ATOM 102 O PRO H 14 30.474 37.392 23.581 1.00 16.32 O ANISOU 102 O PRO H 14 2433 2269 1497 609 487 -277 O ATOM 103 CB PRO H 14 33.625 37.296 23.912 1.00 16.49 C ANISOU 103 CB PRO H 14 2492 2263 1510 617 204 -428 C ATOM 104 CG PRO H 14 34.560 38.123 23.060 1.00 16.69 C ANISOU 104 CG PRO H 14 2411 2247 1684 566 162 -495 C ATOM 105 CD PRO H 14 33.666 38.724 22.005 1.00 17.21 C ANISOU 105 CD PRO H 14 2422 2298 1817 534 273 -420 C ATOM 0 HA PRO H 14 32.954 35.813 22.571 1.00 15.61 H new ATOM 0 HB2 PRO H 14 33.154 37.842 24.560 1.00 16.49 H new ATOM 0 HB3 PRO H 14 34.103 36.614 24.409 1.00 16.49 H new ATOM 0 HG2 PRO H 14 35.002 38.810 23.583 1.00 16.69 H new ATOM 0 HG3 PRO H 14 35.256 37.576 22.665 1.00 16.69 H new ATOM 0 HD2 PRO H 14 33.288 39.569 22.293 1.00 17.21 H new ATOM 0 HD3 PRO H 14 34.147 38.895 21.180 1.00 17.21 H new ATOM 106 N GLY H 15 31.032 35.212 23.879 1.00 16.56 N ANISOU 106 N GLY H 15 2539 2314 1437 597 462 -217 N ATOM 107 CA GLY H 15 29.774 34.853 24.508 1.00 19.71 C ANISOU 107 CA GLY H 15 2985 2699 1805 608 620 -176 C ATOM 108 C GLY H 15 28.734 34.339 23.525 1.00 18.81 C ANISOU 108 C GLY H 15 2722 2600 1825 544 701 -139 C ATOM 109 O GLY H 15 27.711 33.776 23.943 1.00 24.04 O ANISOU 109 O GLY H 15 3386 3236 2511 531 852 -119 O ATOM 0 H GLY H 15 31.578 34.555 23.778 1.00 16.56 H new ATOM 0 HA2 GLY H 15 29.938 34.173 25.180 1.00 19.71 H new ATOM 0 HA3 GLY H 15 29.418 35.628 24.970 1.00 19.71 H new ATOM 110 N SER H 16 28.987 34.523 22.233 1.00 18.18 N ANISOU 110 N SER H 16 2519 2550 1840 513 608 -144 N ATOM 111 CA ASER H 16 28.062 34.077 21.199 0.50 18.68 C ANISOU 111 CA ASER H 16 2440 2634 2024 480 635 -138 C ATOM 112 CA BSER H 16 28.061 34.073 21.205 0.50 18.70 C ANISOU 112 CA BSER H 16 2443 2635 2026 480 635 -138 C ATOM 113 C SER H 16 28.380 32.646 20.785 1.00 18.87 C ANISOU 113 C SER H 16 2452 2656 2061 432 620 -107 C ATOM 114 O SER H 16 29.313 32.025 21.305 1.00 18.92 O ANISOU 114 O SER H 16 2566 2645 1976 432 593 -80 O ATOM 115 CB ASER H 16 28.139 34.989 19.973 0.50 16.57 C ANISOU 115 CB ASER H 16 2093 2387 1816 505 542 -157 C ATOM 116 CB BSER H 16 28.117 34.999 19.991 0.50 17.51 C ANISOU 116 CB BSER H 16 2212 2506 1936 505 544 -158 C ATOM 117 OG ASER H 16 29.434 34.975 19.407 0.50 17.81 O ANISOU 117 OG ASER H 16 2288 2537 1944 494 449 -143 O ATOM 118 OG BSER H 16 27.498 36.236 20.288 0.50 22.00 O ANISOU 118 OG BSER H 16 2777 3067 2516 555 582 -188 O ATOM 0 H ASER H 16 29.695 34.908 21.933 0.50 18.18 H new ATOM 0 H BSER H 16 29.694 34.909 21.931 0.50 18.18 H new ATOM 0 HA ASER H 16 27.164 34.114 21.564 0.50 18.70 H new ATOM 0 HA BSER H 16 27.165 34.096 21.575 0.50 18.70 H new ATOM 0 HB2ASER H 16 27.491 34.701 19.311 0.50 17.51 H new ATOM 0 HB2BSER H 16 29.040 35.146 19.731 0.50 17.51 H new ATOM 0 HB3ASER H 16 27.903 35.895 20.226 0.50 17.51 H new ATOM 0 HB3BSER H 16 27.673 34.581 19.237 0.50 17.51 H new ATOM 0 HG ASER H 16 29.871 35.634 19.691 0.50 22.00 H new ATOM 0 HG BSER H 16 27.576 36.754 19.631 0.50 22.00 H new ATOM 119 N SER H 17 27.600 32.122 19.849 1.00 19.19 N ANISOU 119 N SER H 17 2361 2712 2217 403 624 -124 N ATOM 120 CA SER H 17 27.852 30.789 19.316 1.00 19.11 C ANISOU 120 CA SER H 17 2327 2696 2238 354 606 -106 C ATOM 121 C SER H 17 27.999 30.883 17.815 1.00 18.46 C ANISOU 121 C SER H 17 2154 2651 2210 368 478 -128 C ATOM 122 O SER H 17 27.552 31.854 17.190 1.00 20.96 O ANISOU 122 O SER H 17 2415 2990 2558 422 428 -161 O ATOM 123 CB SER H 17 26.719 29.829 19.668 1.00 23.59 C ANISOU 123 CB SER H 17 2830 3224 2909 302 753 -128 C ATOM 124 OG SER H 17 25.481 30.280 19.149 1.00 30.96 O ANISOU 124 OG SER H 17 3594 4178 3991 308 767 -208 O ATOM 0 H SER H 17 26.919 32.521 19.508 1.00 19.19 H new ATOM 0 HA SER H 17 28.667 30.443 19.712 1.00 19.11 H new ATOM 0 HB2 SER H 17 26.918 28.948 19.315 1.00 23.59 H new ATOM 0 HB3 SER H 17 26.655 29.741 20.632 1.00 23.59 H new ATOM 0 HG SER H 17 25.360 31.082 19.369 1.00 30.96 H new ATOM 125 N VAL H 18 28.630 29.876 17.227 1.00 17.30 N ANISOU 125 N VAL H 18 2014 2500 2058 337 427 -108 N ATOM 126 CA VAL H 18 28.769 29.814 15.784 1.00 16.14 C ANISOU 126 CA VAL H 18 1812 2378 1943 363 318 -127 C ATOM 127 C VAL H 18 28.490 28.380 15.348 1.00 19.74 C ANISOU 127 C VAL H 18 2209 2824 2467 312 319 -148 C ATOM 128 O VAL H 18 28.836 27.431 16.057 1.00 19.47 O ANISOU 128 O VAL H 18 2229 2753 2415 258 390 -112 O ATOM 129 CB VAL H 18 30.171 30.285 15.337 1.00 19.50 C ANISOU 129 CB VAL H 18 2326 2797 2286 386 251 -85 C ATOM 130 CG1 VAL H 18 31.262 29.375 15.884 1.00 20.42 C ANISOU 130 CG1 VAL H 18 2510 2893 2356 342 255 -49 C ATOM 131 CG2 VAL H 18 30.259 30.358 13.820 1.00 20.11 C ANISOU 131 CG2 VAL H 18 2390 2882 2370 436 171 -95 C ATOM 0 H VAL H 18 28.986 29.217 17.649 1.00 17.30 H new ATOM 0 HA VAL H 18 28.134 30.413 15.361 1.00 16.14 H new ATOM 0 HB VAL H 18 30.309 31.174 15.700 1.00 19.50 H new ATOM 0 HG11 VAL H 18 32.129 29.694 15.588 1.00 20.42 H new ATOM 0 HG12 VAL H 18 31.231 29.378 16.853 1.00 20.42 H new ATOM 0 HG13 VAL H 18 31.123 28.471 15.560 1.00 20.42 H new ATOM 0 HG21 VAL H 18 31.145 30.655 13.561 1.00 20.11 H new ATOM 0 HG22 VAL H 18 30.090 29.480 13.443 1.00 20.11 H new ATOM 0 HG23 VAL H 18 29.598 30.985 13.487 1.00 20.11 H new ATOM 132 N LYS H 19 27.832 28.217 14.207 1.00 17.40 N ANISOU 132 N LYS H 19 1813 2551 2246 343 239 -215 N ATOM 133 CA LYS H 19 27.600 26.887 13.649 1.00 18.21 C ANISOU 133 CA LYS H 19 1852 2640 2429 297 221 -258 C ATOM 134 C LYS H 19 28.112 26.889 12.220 1.00 17.70 C ANISOU 134 C LYS H 19 1815 2600 2312 366 78 -269 C ATOM 135 O LYS H 19 27.659 27.685 11.383 1.00 22.22 O ANISOU 135 O LYS H 19 2368 3202 2873 466 -18 -316 O ATOM 136 CB LYS H 19 26.116 26.505 13.703 1.00 19.97 C ANISOU 136 CB LYS H 19 1902 2854 2832 268 263 -375 C ATOM 137 CG LYS H 19 25.835 25.034 13.344 1.00 22.20 C ANISOU 137 CG LYS H 19 2105 3096 3236 192 282 -437 C ATOM 138 CD LYS H 19 24.410 24.640 13.699 1.00 27.61 C ANISOU 138 CD LYS H 19 2600 3743 4148 132 384 -567 C ATOM 139 CE LYS H 19 24.133 23.180 13.372 1.00 29.40 C ANISOU 139 CE LYS H 19 2740 3905 4524 42 425 -644 C ATOM 140 NZ LYS H 19 22.768 22.775 13.817 1.00 33.57 N ANISOU 140 NZ LYS H 19 3065 4368 5321 -40 573 -785 N ATOM 0 H LYS H 19 27.511 28.863 13.739 1.00 17.40 H new ATOM 0 HA LYS H 19 28.073 26.223 14.174 1.00 18.21 H new ATOM 0 HB2 LYS H 19 25.778 26.681 14.595 1.00 19.97 H new ATOM 0 HB3 LYS H 19 25.622 27.077 13.095 1.00 19.97 H new ATOM 0 HG2 LYS H 19 25.984 24.897 12.395 1.00 22.20 H new ATOM 0 HG3 LYS H 19 26.458 24.459 13.815 1.00 22.20 H new ATOM 0 HD2 LYS H 19 24.257 24.795 14.644 1.00 27.61 H new ATOM 0 HD3 LYS H 19 23.787 25.204 13.214 1.00 27.61 H new ATOM 0 HE2 LYS H 19 24.219 23.038 12.416 1.00 29.40 H new ATOM 0 HE3 LYS H 19 24.796 22.618 13.803 1.00 29.40 H new ATOM 0 HZ1 LYS H 19 22.658 21.902 13.681 1.00 33.57 H new ATOM 0 HZ2 LYS H 19 22.673 22.954 14.684 1.00 33.57 H new ATOM 0 HZ3 LYS H 19 22.158 23.227 13.352 1.00 33.57 H new ATOM 141 N VAL H 20 29.074 26.012 11.966 1.00 16.64 N ANISOU 141 N VAL H 20 1748 2442 2130 330 71 -221 N ATOM 142 CA AVAL H 20 29.761 25.880 10.680 0.60 17.33 C ANISOU 142 CA AVAL H 20 1896 2535 2152 390 -28 -215 C ATOM 143 CA BVAL H 20 29.656 25.929 10.645 0.40 16.83 C ANISOU 143 CA BVAL H 20 1826 2475 2094 395 -33 -222 C ATOM 144 C VAL H 20 29.283 24.589 10.028 1.00 16.85 C ANISOU 144 C VAL H 20 1762 2467 2173 364 -77 -292 C ATOM 145 O VAL H 20 29.106 23.579 10.725 1.00 18.38 O ANISOU 145 O VAL H 20 1912 2626 2447 268 5 -298 O ATOM 146 CB AVAL H 20 31.294 25.762 10.894 0.60 15.04 C ANISOU 146 CB AVAL H 20 1720 2219 1776 363 10 -122 C ATOM 147 CB BVAL H 20 31.177 26.133 10.691 0.40 18.59 C ANISOU 147 CB BVAL H 20 2173 2675 2216 390 -5 -128 C ATOM 148 CG1AVAL H 20 32.033 25.636 9.561 0.60 13.59 C ANISOU 148 CG1AVAL H 20 1608 2023 1533 423 -50 -112 C ATOM 149 CG1BVAL H 20 31.509 27.476 11.319 0.40 22.14 C ANISOU 149 CG1BVAL H 20 2667 3123 2622 412 40 -88 C ATOM 150 CG2AVAL H 20 31.828 26.951 11.694 0.60 19.54 C ANISOU 150 CG2AVAL H 20 2341 2786 2299 371 60 -74 C ATOM 151 CG2BVAL H 20 31.816 25.064 11.504 0.40 17.47 C ANISOU 151 CG2BVAL H 20 2048 2506 2085 307 53 -90 C ATOM 0 H AVAL H 20 29.358 25.455 12.557 0.60 16.64 H new ATOM 0 H BVAL H 20 29.399 25.462 12.542 0.40 16.64 H new ATOM 0 HA AVAL H 20 29.570 26.657 10.132 0.60 16.83 H new ATOM 0 HA BVAL H 20 29.302 26.641 10.090 0.40 16.83 H new ATOM 0 HB AVAL H 20 31.457 24.953 11.404 0.60 18.59 H new ATOM 0 HB BVAL H 20 31.512 26.101 9.781 0.40 18.59 H new ATOM 0 HG11AVAL H 20 32.986 25.564 9.725 0.60 22.14 H new ATOM 0 HG11BVAL H 20 32.472 27.593 11.343 0.40 22.14 H new ATOM 0 HG12AVAL H 20 31.725 24.844 9.094 0.60 22.14 H new ATOM 0 HG12BVAL H 20 31.110 28.187 10.793 0.40 22.14 H new ATOM 0 HG13AVAL H 20 31.857 26.420 9.018 0.60 22.14 H new ATOM 0 HG13BVAL H 20 31.158 27.507 12.223 0.40 22.14 H new ATOM 0 HG21AVAL H 20 32.786 26.856 11.815 0.60 17.47 H new ATOM 0 HG21BVAL H 20 32.776 25.204 11.526 0.40 17.47 H new ATOM 0 HG22AVAL H 20 31.643 27.773 11.214 0.60 17.47 H new ATOM 0 HG22BVAL H 20 31.465 25.091 12.408 0.40 17.47 H new ATOM 0 HG23AVAL H 20 31.394 26.979 12.561 0.60 17.47 H new ATOM 0 HG23BVAL H 20 31.624 24.199 11.109 0.40 17.47 H new ATOM 152 N SER H 21 29.103 24.588 8.714 1.00 16.06 N ANISOU 152 N SER H 21 1671 2385 2047 457 -203 -354 N ATOM 153 CA SER H 21 28.671 23.387 8.013 1.00 17.33 C ANISOU 153 CA SER H 21 1761 2537 2288 444 -274 -452 C ATOM 154 C SER H 21 29.737 22.869 7.056 1.00 19.17 C ANISOU 154 C SER H 21 2121 2751 2410 482 -319 -407 C ATOM 155 O SER H 21 30.667 23.591 6.670 1.00 15.67 O ANISOU 155 O SER H 21 1816 2303 1837 546 -306 -320 O ATOM 156 CB SER H 21 27.367 23.637 7.259 1.00 20.33 C ANISOU 156 CB SER H 21 2023 2953 2748 540 -416 -613 C ATOM 157 OG SER H 21 27.532 24.620 6.242 1.00 21.98 O ANISOU 157 OG SER H 21 2355 3189 2807 712 -533 -605 O ATOM 0 H SER H 21 29.226 25.273 8.209 1.00 16.06 H new ATOM 0 HA SER H 21 28.521 22.705 8.687 1.00 17.33 H new ATOM 0 HB2 SER H 21 27.058 22.808 6.862 1.00 20.33 H new ATOM 0 HB3 SER H 21 26.682 23.926 7.882 1.00 20.33 H new ATOM 0 HG SER H 21 26.802 24.736 5.844 1.00 21.98 H new ATOM 158 N CYS H 22 29.592 21.603 6.683 1.00 16.56 N ANISOU 158 N CYS H 22 1742 2397 2152 438 -350 -475 N ATOM 159 CA CYS H 22 30.556 20.904 5.843 1.00 19.48 C ANISOU 159 CA CYS H 22 2225 2741 2436 463 -378 -443 C ATOM 160 C CYS H 22 29.771 19.968 4.934 1.00 19.67 C ANISOU 160 C CYS H 22 2173 2762 2539 492 -502 -598 C ATOM 161 O CYS H 22 29.208 18.978 5.402 1.00 22.16 O ANISOU 161 O CYS H 22 2362 3042 3014 383 -463 -672 O ATOM 162 CB CYS H 22 31.505 20.120 6.752 1.00 17.51 C ANISOU 162 CB CYS H 22 2006 2447 2200 346 -248 -342 C ATOM 163 SG CYS H 22 32.685 19.009 5.954 1.00 22.36 S ANISOU 163 SG CYS H 22 2725 3018 2753 351 -255 -309 S ATOM 0 H CYS H 22 28.920 21.118 6.914 1.00 16.56 H new ATOM 0 HA CYS H 22 31.081 21.514 5.302 1.00 19.48 H new ATOM 0 HB2 CYS H 22 32.006 20.757 7.285 1.00 17.51 H new ATOM 0 HB3 CYS H 22 30.968 19.596 7.367 1.00 17.51 H new ATOM 164 N LYS H 23 29.718 20.281 3.637 1.00 19.63 N ANISOU 164 N LYS H 23 2258 2778 2424 648 -646 -656 N ATOM 165 CA LYS H 23 28.932 19.490 2.693 1.00 21.53 C ANISOU 165 CA LYS H 23 2431 3022 2728 710 -810 -838 C ATOM 166 C LYS H 23 29.810 18.556 1.873 1.00 22.53 C ANISOU 166 C LYS H 23 2685 3109 2768 728 -823 -819 C ATOM 167 O LYS H 23 30.761 18.994 1.224 1.00 22.15 O ANISOU 167 O LYS H 23 2834 3049 2533 825 -802 -715 O ATOM 168 CB LYS H 23 28.138 20.402 1.757 1.00 22.97 C ANISOU 168 CB LYS H 23 2646 3254 2829 915 -1000 -950 C ATOM 169 CG LYS H 23 27.208 19.641 0.825 1.00 25.65 C ANISOU 169 CG LYS H 23 2889 3605 3251 1003 -1216 -1185 C ATOM 170 CD LYS H 23 26.103 20.528 0.282 1.00 38.64 C ANISOU 170 CD LYS H 23 4505 5289 4888 1180 -1383 -1321 C ATOM 171 CE LYS H 23 24.997 19.678 -0.324 1.00 48.13 C ANISOU 171 CE LYS H 23 5556 6462 6269 1199 -1513 -1562 C ATOM 172 NZ LYS H 23 25.555 18.445 -0.948 1.00 54.64 N ANISOU 172 NZ LYS H 23 6432 7248 7082 1174 -1542 -1593 N ATOM 0 H LYS H 23 30.131 20.948 3.286 1.00 19.63 H new ATOM 0 HA LYS H 23 28.318 18.949 3.214 1.00 21.53 H new ATOM 0 HB2 LYS H 23 27.616 21.025 2.287 1.00 22.97 H new ATOM 0 HB3 LYS H 23 28.756 20.929 1.227 1.00 22.97 H new ATOM 0 HG2 LYS H 23 27.719 19.274 0.087 1.00 25.65 H new ATOM 0 HG3 LYS H 23 26.817 18.891 1.300 1.00 25.65 H new ATOM 0 HD2 LYS H 23 25.743 21.080 0.994 1.00 38.64 H new ATOM 0 HD3 LYS H 23 26.462 21.129 -0.389 1.00 38.64 H new ATOM 0 HE2 LYS H 23 24.357 19.436 0.363 1.00 48.13 H new ATOM 0 HE3 LYS H 23 24.516 20.193 -0.991 1.00 48.13 H new ATOM 0 HZ1 LYS H 23 24.957 18.100 -1.510 1.00 54.64 H new ATOM 0 HZ2 LYS H 23 26.298 18.648 -1.393 1.00 54.64 H new ATOM 0 HZ3 LYS H 23 25.743 17.850 -0.314 1.00 54.64 H new ATOM 173 N ALA H 24 29.501 17.263 1.921 1.00 21.21 N ANISOU 173 N ALA H 24 2407 2904 2748 629 -833 -920 N ATOM 174 CA ALA H 24 30.223 16.267 1.134 1.00 24.57 C ANISOU 174 CA ALA H 24 2939 3286 3110 646 -854 -925 C ATOM 175 C ALA H 24 29.543 16.008 -0.206 1.00 25.27 C ANISOU 175 C ALA H 24 3045 3392 3165 803 -1081 -1121 C ATOM 176 O ALA H 24 28.315 15.968 -0.290 1.00 29.18 O ANISOU 176 O ALA H 24 3366 3912 3808 824 -1218 -1315 O ATOM 177 CB ALA H 24 30.343 14.968 1.911 1.00 26.19 C ANISOU 177 CB ALA H 24 3047 3423 3482 464 -731 -923 C ATOM 0 H ALA H 24 28.870 16.940 2.408 1.00 21.21 H new ATOM 0 HA ALA H 24 31.109 16.620 0.957 1.00 24.57 H new ATOM 0 HB1 ALA H 24 30.824 14.315 1.378 1.00 26.19 H new ATOM 0 HB2 ALA H 24 30.825 15.128 2.737 1.00 26.19 H new ATOM 0 HB3 ALA H 24 29.457 14.629 2.114 1.00 26.19 H new ATOM 178 N SER H 25 30.345 15.824 -1.250 1.00 24.64 N ANISOU 178 N SER H 25 3172 3294 2897 923 -1121 -1086 N ATOM 179 CA SER H 25 29.813 15.488 -2.569 1.00 26.38 C ANISOU 179 CA SER H 25 3455 3521 3045 1100 -1348 -1274 C ATOM 180 C SER H 25 30.851 14.753 -3.410 1.00 25.89 C ANISOU 180 C SER H 25 3595 3406 2836 1150 -1315 -1221 C ATOM 181 O SER H 25 32.035 14.737 -3.076 1.00 29.31 O ANISOU 181 O SER H 25 4131 3802 3202 1077 -1120 -1030 O ATOM 182 CB SER H 25 29.357 16.752 -3.306 1.00 35.27 C ANISOU 182 CB SER H 25 4700 4675 4024 1319 -1439 -1267 C ATOM 183 OG SER H 25 30.458 17.585 -3.634 1.00 34.19 O ANISOU 183 OG SER H 25 4824 4514 3651 1409 -1312 -1068 O ATOM 0 H SER H 25 31.202 15.889 -1.217 1.00 24.64 H new ATOM 0 HA SER H 25 29.050 14.904 -2.436 1.00 26.38 H new ATOM 0 HB2 SER H 25 28.884 16.504 -4.116 1.00 35.27 H new ATOM 0 HB3 SER H 25 28.731 17.244 -2.752 1.00 35.27 H new ATOM 0 HG SER H 25 30.612 18.110 -2.997 1.00 34.19 H new ATOM 184 N GLY H 26 30.395 14.135 -4.496 1.00 31.75 N ANISOU 184 N GLY H 26 4361 4126 3576 1263 -1458 -1355 N ATOM 185 CA GLY H 26 31.294 13.612 -5.511 1.00 37.50 C ANISOU 185 CA GLY H 26 5307 4800 4141 1356 -1430 -1295 C ATOM 186 C GLY H 26 31.679 12.150 -5.405 1.00 43.93 C ANISOU 186 C GLY H 26 6068 5566 5058 1222 -1404 -1361 C ATOM 187 O GLY H 26 32.428 11.649 -6.246 0.88 40.68 O ANISOU 187 O GLY H 26 5829 5108 4518 1296 -1376 -1315 O ATOM 0 H GLY H 26 29.561 14.009 -4.662 1.00 31.75 H new ATOM 0 HA2 GLY H 26 30.883 13.753 -6.378 1.00 37.50 H new ATOM 0 HA3 GLY H 26 32.108 14.140 -5.493 1.00 37.50 H new ATOM 188 N GLY H 27 31.179 11.461 -4.384 1.00 42.86 N ANISOU 188 N GLY H 27 5702 5419 5162 1026 -1389 -1465 N ATOM 189 CA GLY H 27 31.473 10.047 -4.233 1.00 48.85 C ANISOU 189 CA GLY H 27 6403 6099 6059 886 -1321 -1506 C ATOM 190 C GLY H 27 30.257 9.195 -3.927 1.00 56.13 C ANISOU 190 C GLY H 27 7062 6987 7278 765 -1402 -1734 C ATOM 191 O GLY H 27 29.125 9.679 -3.936 1.00 56.64 O ANISOU 191 O GLY H 27 6963 7100 7458 800 -1502 -1840 O ATOM 0 H GLY H 27 30.672 11.793 -3.774 1.00 42.86 H new ATOM 0 HA2 GLY H 27 31.887 9.723 -5.048 1.00 48.85 H new ATOM 0 HA3 GLY H 27 32.123 9.935 -3.521 1.00 48.85 H new ATOM 192 N THR H 28 30.499 7.913 -3.666 1.00 55.38 N ANISOU 192 N THR H 28 6918 6796 7328 621 -1307 -1766 N ATOM 193 CA THR H 28 29.446 6.984 -3.276 1.00 58.87 C ANISOU 193 CA THR H 28 7109 7169 8091 468 -1301 -1954 C ATOM 194 C THR H 28 29.837 6.268 -1.987 1.00 63.53 C ANISOU 194 C THR H 28 7648 7652 8838 243 -1030 -1825 C ATOM 195 O THR H 28 28.989 5.703 -1.294 1.00 65.84 O ANISOU 195 O THR H 28 7741 7862 9414 82 -939 -1939 O ATOM 196 CB THR H 28 29.175 5.936 -4.376 1.00 63.68 C ANISOU 196 CB THR H 28 7713 7744 8739 528 -1412 -2094 C ATOM 197 OG1 THR H 28 30.412 5.341 -4.790 1.00 62.93 O ANISOU 197 OG1 THR H 28 7843 7599 8469 555 -1356 -1992 O ATOM 198 CG2 THR H 28 28.511 6.583 -5.579 1.00 66.53 C ANISOU 198 CG2 THR H 28 8091 8201 8986 763 -1643 -2186 C ATOM 0 H THR H 28 31.281 7.558 -3.711 1.00 55.38 H new ATOM 0 HA THR H 28 28.636 7.499 -3.139 1.00 58.87 H new ATOM 0 HB THR H 28 28.584 5.257 -4.014 1.00 63.68 H new ATOM 0 HG1 THR H 28 30.262 4.770 -5.388 1.00 62.93 H new ATOM 0 HG21 THR H 28 28.348 5.911 -6.259 1.00 66.53 H new ATOM 0 HG22 THR H 28 27.668 6.980 -5.309 1.00 66.53 H new ATOM 0 HG23 THR H 28 29.092 7.272 -5.938 1.00 66.53 H new ATOM 199 N PHE H 29 31.129 6.306 -1.671 1.00 58.49 N ANISOU 199 N PHE H 29 7199 7009 8015 248 -882 -1573 N ATOM 200 CA PHE H 29 31.667 5.627 -0.496 1.00 51.67 C ANISOU 200 CA PHE H 29 6345 6049 7237 89 -635 -1412 C ATOM 201 C PHE H 29 31.097 6.199 0.803 1.00 46.08 C ANISOU 201 C PHE H 29 5517 5343 6648 -21 -497 -1341 C ATOM 202 O PHE H 29 30.993 7.418 0.962 1.00 47.04 O ANISOU 202 O PHE H 29 5631 5569 6672 45 -545 -1280 O ATOM 203 CB PHE H 29 33.192 5.720 -0.497 1.00 49.82 C ANISOU 203 CB PHE H 29 6323 5830 6775 156 -553 -1185 C ATOM 204 CG PHE H 29 33.857 4.820 0.500 1.00 48.16 C ANISOU 204 CG PHE H 29 6161 5514 6624 44 -349 -1048 C ATOM 205 CD1 PHE H 29 34.050 3.476 0.218 1.00 50.00 C ANISOU 205 CD1 PHE H 29 6433 5629 6937 0 -307 -1108 C ATOM 206 CD2 PHE H 29 34.299 5.321 1.714 1.00 46.52 C ANISOU 206 CD2 PHE H 29 5979 5319 6379 5 -209 -864 C ATOM 207 CE1 PHE H 29 34.664 2.645 1.132 1.00 50.27 C ANISOU 207 CE1 PHE H 29 6543 5554 7005 -74 -122 -977 C ATOM 208 CE2 PHE H 29 34.916 4.497 2.631 1.00 44.12 C ANISOU 208 CE2 PHE H 29 5754 4913 6098 -57 -44 -743 C ATOM 209 CZ PHE H 29 35.098 3.156 2.339 1.00 40.03 C ANISOU 209 CZ PHE H 29 5286 4272 5651 -91 3 -794 C ATOM 0 H PHE H 29 31.719 6.727 -2.133 1.00 58.49 H new ATOM 0 HA PHE H 29 31.401 4.695 -0.541 1.00 51.67 H new ATOM 0 HB2 PHE H 29 33.520 5.503 -1.384 1.00 49.82 H new ATOM 0 HB3 PHE H 29 33.451 6.637 -0.315 1.00 49.82 H new ATOM 0 HD1 PHE H 29 33.762 3.131 -0.596 1.00 50.00 H new ATOM 0 HD2 PHE H 29 34.178 6.222 1.912 1.00 46.52 H new ATOM 0 HE1 PHE H 29 34.785 1.744 0.936 1.00 50.27 H new ATOM 0 HE2 PHE H 29 35.209 4.841 3.444 1.00 44.12 H new ATOM 0 HZ PHE H 29 35.513 2.599 2.957 1.00 40.03 H new ATOM 210 N SER H 30 30.732 5.317 1.732 1.00 42.33 N ANISOU 210 N SER H 30 4968 4737 6377 -182 -308 -1345 N ATOM 211 CA SER H 30 30.039 5.740 2.951 1.00 50.12 C ANISOU 211 CA SER H 30 5848 5699 7497 -288 -151 -1304 C ATOM 212 C SER H 30 30.734 5.382 4.273 1.00 43.02 C ANISOU 212 C SER H 30 5084 4708 6551 -361 101 -1079 C ATOM 213 O SER H 30 30.316 5.850 5.332 1.00 37.02 O ANISOU 213 O SER H 30 4291 3934 5842 -420 240 -1011 O ATOM 214 CB SER H 30 28.601 5.198 2.952 1.00 58.43 C ANISOU 214 CB SER H 30 6660 6658 8882 -410 -127 -1559 C ATOM 215 OG SER H 30 27.894 5.591 4.118 1.00 69.85 O ANISOU 215 OG SER H 30 8005 8064 10473 -515 59 -1524 O ATOM 0 H SER H 30 30.875 4.471 1.677 1.00 42.33 H new ATOM 0 HA SER H 30 30.050 6.709 2.919 1.00 50.12 H new ATOM 0 HB2 SER H 30 28.133 5.519 2.166 1.00 58.43 H new ATOM 0 HB3 SER H 30 28.620 4.230 2.895 1.00 58.43 H new ATOM 0 HG SER H 30 28.426 5.947 4.662 1.00 69.85 H new ATOM 216 N SER H 31 31.788 4.570 4.224 1.00 39.65 N ANISOU 216 N SER H 31 4826 4221 6020 -338 154 -970 N ATOM 217 CA ASER H 31 32.456 4.120 5.447 0.50 35.18 C ANISOU 217 CA ASER H 31 4413 3558 5397 -371 365 -776 C ATOM 218 CA BSER H 31 32.455 4.120 5.444 0.50 35.21 C ANISOU 218 CA BSER H 31 4416 3562 5401 -371 364 -777 C ATOM 219 C SER H 31 33.472 5.140 5.954 1.00 34.15 C ANISOU 219 C SER H 31 4397 3546 5031 -265 330 -585 C ATOM 220 O SER H 31 34.682 4.944 5.820 1.00 28.01 O ANISOU 220 O SER H 31 3754 2785 4102 -181 299 -478 O ATOM 221 CB ASER H 31 33.136 2.763 5.227 0.50 32.90 C ANISOU 221 CB ASER H 31 4251 3140 5109 -377 431 -755 C ATOM 222 CB BSER H 31 33.129 2.762 5.216 0.50 32.95 C ANISOU 222 CB BSER H 31 4256 3146 5116 -377 430 -757 C ATOM 223 OG ASER H 31 33.282 2.049 6.445 0.50 33.10 O ANISOU 223 OG ASER H 31 4406 3010 5159 -430 669 -630 O ATOM 224 OG BSER H 31 32.192 1.785 4.788 0.50 33.24 O ANISOU 224 OG BSER H 31 4179 3052 5397 -489 477 -950 O ATOM 0 H ASER H 31 32.132 4.268 3.496 0.50 39.65 H new ATOM 0 H BSER H 31 32.132 4.269 3.496 0.50 39.65 H new ATOM 0 HA ASER H 31 31.770 4.025 6.126 0.50 35.21 H new ATOM 0 HA BSER H 31 31.773 4.026 6.127 0.50 35.21 H new ATOM 0 HB2ASER H 31 32.614 2.236 4.603 0.50 32.95 H new ATOM 0 HB2BSER H 31 33.829 2.854 4.551 0.50 32.95 H new ATOM 0 HB3ASER H 31 34.008 2.899 4.824 0.50 32.95 H new ATOM 0 HB3BSER H 31 33.554 2.468 6.037 0.50 32.95 H new ATOM 0 HG ASER H 31 33.820 2.455 6.945 0.50 33.24 H new ATOM 0 HG BSER H 31 32.599 1.147 4.422 0.50 33.24 H new ATOM 225 N TYR H 32 32.975 6.229 6.539 1.00 31.75 N ANISOU 225 N TYR H 32 4026 3318 4719 -269 337 -559 N ATOM 226 CA TYR H 32 33.849 7.262 7.083 1.00 29.67 C ANISOU 226 CA TYR H 32 3851 3158 4264 -180 306 -404 C ATOM 227 C TYR H 32 33.209 8.066 8.202 1.00 29.58 C ANISOU 227 C TYR H 32 3805 3161 4274 -216 402 -358 C ATOM 228 O TYR H 32 31.991 8.069 8.369 1.00 31.11 O ANISOU 228 O TYR H 32 3871 3313 4637 -304 471 -462 O ATOM 229 CB TYR H 32 34.335 8.210 5.981 1.00 23.51 C ANISOU 229 CB TYR H 32 3047 2521 3365 -79 116 -427 C ATOM 230 CG TYR H 32 33.269 9.077 5.329 1.00 27.78 C ANISOU 230 CG TYR H 32 3446 3145 3965 -71 1 -558 C ATOM 231 CD1 TYR H 32 32.850 10.270 5.915 1.00 30.63 C ANISOU 231 CD1 TYR H 32 3753 3579 4305 -63 4 -524 C ATOM 232 CD2 TYR H 32 32.717 8.719 4.106 1.00 33.40 C ANISOU 232 CD2 TYR H 32 4089 3861 4740 -49 -130 -725 C ATOM 233 CE1 TYR H 32 31.891 11.061 5.312 1.00 35.14 C ANISOU 233 CE1 TYR H 32 4203 4222 4925 -33 -113 -647 C ATOM 234 CE2 TYR H 32 31.762 9.504 3.496 1.00 34.06 C ANISOU 234 CE2 TYR H 32 4057 4022 4864 -5 -267 -860 C ATOM 235 CZ TYR H 32 31.353 10.670 4.102 1.00 38.10 C ANISOU 235 CZ TYR H 32 4515 4603 5359 5 -256 -817 C ATOM 236 OH TYR H 32 30.400 11.451 3.491 1.00 38.79 O ANISOU 236 OH TYR H 32 4492 4764 5482 70 -404 -956 O ATOM 0 H TYR H 32 32.135 6.387 6.630 1.00 31.75 H new ATOM 0 HA TYR H 32 34.605 6.790 7.465 1.00 29.67 H new ATOM 0 HB2 TYR H 32 35.015 8.792 6.356 1.00 23.51 H new ATOM 0 HB3 TYR H 32 34.764 7.681 5.290 1.00 23.51 H new ATOM 0 HD1 TYR H 32 33.222 10.538 6.724 1.00 30.63 H new ATOM 0 HD2 TYR H 32 32.997 7.935 3.691 1.00 33.40 H new ATOM 0 HE1 TYR H 32 31.610 11.850 5.717 1.00 35.14 H new ATOM 0 HE2 TYR H 32 31.396 9.247 2.680 1.00 34.06 H new ATOM 0 HH TYR H 32 30.166 11.093 2.768 1.00 38.79 H new ATOM 237 N ALA H 33 34.059 8.748 8.961 1.00 21.78 N ANISOU 237 N ALA H 33 2922 2227 3125 -143 405 -217 N ATOM 238 CA ALA H 33 33.627 9.709 9.964 1.00 20.18 C ANISOU 238 CA ALA H 33 2709 2061 2899 -147 466 -167 C ATOM 239 C ALA H 33 34.070 11.102 9.511 1.00 20.55 C ANISOU 239 C ALA H 33 2709 2261 2839 -69 311 -155 C ATOM 240 O ALA H 33 34.865 11.226 8.582 1.00 19.34 O ANISOU 240 O ALA H 33 2568 2165 2616 -7 194 -159 O ATOM 241 CB ALA H 33 34.243 9.367 11.312 1.00 24.74 C ANISOU 241 CB ALA H 33 3472 2560 3369 -108 594 -29 C ATOM 0 H ALA H 33 34.913 8.664 8.906 1.00 21.78 H new ATOM 0 HA ALA H 33 32.662 9.685 10.061 1.00 20.18 H new ATOM 0 HB1 ALA H 33 33.950 10.012 11.975 1.00 24.74 H new ATOM 0 HB2 ALA H 33 33.962 8.478 11.580 1.00 24.74 H new ATOM 0 HB3 ALA H 33 35.210 9.392 11.242 1.00 24.74 H new ATOM 242 N ILE H 34 33.554 12.147 10.152 1.00 19.03 N ANISOU 242 N ILE H 34 2473 2120 2638 -72 332 -141 N ATOM 243 CA ILE H 34 34.006 13.515 9.888 1.00 19.36 C ANISOU 243 CA ILE H 34 2493 2283 2580 0 218 -117 C ATOM 244 C ILE H 34 34.567 14.103 11.177 1.00 19.17 C ANISOU 244 C ILE H 34 2561 2267 2454 37 270 -14 C ATOM 245 O ILE H 34 33.909 14.052 12.222 1.00 22.76 O ANISOU 245 O ILE H 34 3045 2671 2933 2 390 9 O ATOM 246 CB ILE H 34 32.861 14.424 9.382 1.00 21.69 C ANISOU 246 CB ILE H 34 2650 2643 2950 -11 161 -214 C ATOM 247 CG1 ILE H 34 32.358 13.960 8.014 1.00 23.03 C ANISOU 247 CG1 ILE H 34 2737 2818 3195 -6 55 -343 C ATOM 248 CG2 ILE H 34 33.315 15.895 9.319 1.00 22.64 C ANISOU 248 CG2 ILE H 34 2782 2860 2961 64 86 -169 C ATOM 249 CD1 ILE H 34 33.309 14.274 6.865 1.00 27.33 C ANISOU 249 CD1 ILE H 34 3353 3418 3612 92 -68 -327 C ATOM 0 H ILE H 34 32.937 12.087 10.748 1.00 19.03 H new ATOM 0 HA ILE H 34 34.682 13.476 9.194 1.00 19.36 H new ATOM 0 HB ILE H 34 32.128 14.358 10.014 1.00 21.69 H new ATOM 0 HG12 ILE H 34 32.206 13.002 8.043 1.00 23.03 H new ATOM 0 HG13 ILE H 34 31.501 14.378 7.836 1.00 23.03 H new ATOM 0 HG21 ILE H 34 32.583 16.446 9.000 1.00 22.64 H new ATOM 0 HG22 ILE H 34 33.580 16.190 10.204 1.00 22.64 H new ATOM 0 HG23 ILE H 34 34.068 15.976 8.713 1.00 22.64 H new ATOM 0 HD11 ILE H 34 32.928 13.953 6.033 1.00 27.33 H new ATOM 0 HD12 ILE H 34 33.445 15.233 6.810 1.00 27.33 H new ATOM 0 HD13 ILE H 34 34.160 13.836 7.020 1.00 27.33 H new ATOM 250 N SER H 35 35.783 14.639 11.108 1.00 17.22 N ANISOU 250 N SER H 35 2363 2075 2105 112 188 34 N ATOM 251 CA SER H 35 36.398 15.293 12.253 1.00 17.85 C ANISOU 251 CA SER H 35 2513 2174 2095 165 193 96 C ATOM 252 C SER H 35 36.468 16.785 12.002 1.00 15.16 C ANISOU 252 C SER H 35 2099 1922 1738 186 128 78 C ATOM 253 O SER H 35 36.431 17.248 10.855 1.00 14.93 O ANISOU 253 O SER H 35 2004 1935 1735 188 74 39 O ATOM 254 CB SER H 35 37.814 14.776 12.500 1.00 21.68 C ANISOU 254 CB SER H 35 3087 2641 2510 242 143 135 C ATOM 255 OG SER H 35 37.830 13.693 13.415 1.00 21.83 O ANISOU 255 OG SER H 35 3242 2568 2486 266 218 183 O ATOM 0 H SER H 35 36.270 14.633 10.399 1.00 17.22 H new ATOM 0 HA SER H 35 35.855 15.099 13.033 1.00 17.85 H new ATOM 0 HB2 SER H 35 38.206 14.494 11.659 1.00 21.68 H new ATOM 0 HB3 SER H 35 38.366 15.496 12.843 1.00 21.68 H new ATOM 0 HG SER H 35 38.510 13.220 13.277 1.00 21.83 H new ATOM 256 N TRP H 36 36.572 17.531 13.089 1.00 15.35 N ANISOU 256 N TRP H 36 2160 1964 1709 215 141 105 N ATOM 257 CA TRP H 36 36.763 18.975 13.031 1.00 14.14 C ANISOU 257 CA TRP H 36 1953 1878 1543 237 93 88 C ATOM 258 C TRP H 36 38.084 19.322 13.692 1.00 13.20 C ANISOU 258 C TRP H 36 1875 1767 1372 304 33 93 C ATOM 259 O TRP H 36 38.383 18.854 14.791 1.00 15.38 O ANISOU 259 O TRP H 36 2248 2014 1582 353 32 115 O ATOM 260 CB TRP H 36 35.595 19.704 13.701 1.00 16.70 C ANISOU 260 CB TRP H 36 2255 2215 1874 211 152 84 C ATOM 261 CG TRP H 36 34.321 19.608 12.902 1.00 16.27 C ANISOU 261 CG TRP H 36 2107 2165 1910 158 177 36 C ATOM 262 CD1 TRP H 36 33.391 18.617 12.958 1.00 18.77 C ANISOU 262 CD1 TRP H 36 2400 2427 2307 99 255 10 C ATOM 263 CD2 TRP H 36 33.870 20.524 11.891 1.00 15.92 C ANISOU 263 CD2 TRP H 36 1980 2176 1895 174 115 -12 C ATOM 264 NE1 TRP H 36 32.372 18.869 12.066 1.00 18.75 N ANISOU 264 NE1 TRP H 36 2273 2452 2400 77 220 -75 N ATOM 265 CE2 TRP H 36 32.646 20.032 11.398 1.00 16.39 C ANISOU 265 CE2 TRP H 36 1953 2224 2051 137 124 -83 C ATOM 266 CE3 TRP H 36 34.377 21.714 11.371 1.00 15.17 C ANISOU 266 CE3 TRP H 36 1884 2121 1757 225 61 -9 C ATOM 267 CZ2 TRP H 36 31.918 20.697 10.406 1.00 16.26 C ANISOU 267 CZ2 TRP H 36 1858 2253 2066 177 43 -155 C ATOM 268 CZ3 TRP H 36 33.658 22.370 10.391 1.00 17.08 C ANISOU 268 CZ3 TRP H 36 2082 2394 2015 261 15 -54 C ATOM 269 CH2 TRP H 36 32.441 21.862 9.917 1.00 17.47 C ANISOU 269 CH2 TRP H 36 2054 2447 2138 250 -12 -129 C ATOM 0 H TRP H 36 36.534 17.215 13.888 1.00 15.35 H new ATOM 0 HA TRP H 36 36.787 19.265 12.106 1.00 14.14 H new ATOM 0 HB2 TRP H 36 35.448 19.331 14.584 1.00 16.70 H new ATOM 0 HB3 TRP H 36 35.827 20.638 13.823 1.00 16.70 H new ATOM 0 HD1 TRP H 36 33.437 17.876 13.518 1.00 18.77 H new ATOM 0 HE1 TRP H 36 31.677 18.376 11.948 1.00 18.75 H new ATOM 0 HE3 TRP H 36 35.184 22.060 11.678 1.00 15.17 H new ATOM 0 HZ2 TRP H 36 31.110 20.360 10.091 1.00 16.26 H new ATOM 0 HZ3 TRP H 36 33.988 23.165 10.039 1.00 17.08 H new ATOM 0 HH2 TRP H 36 31.980 22.327 9.256 1.00 17.47 H new ATOM 270 N VAL H 37 38.875 20.136 13.001 1.00 13.92 N ANISOU 270 N VAL H 37 1900 1888 1499 316 -13 61 N ATOM 271 CA VAL H 37 40.222 20.495 13.417 1.00 15.18 C ANISOU 271 CA VAL H 37 2046 2051 1671 369 -75 24 C ATOM 272 C VAL H 37 40.370 21.980 13.178 1.00 15.54 C ANISOU 272 C VAL H 37 2021 2119 1765 355 -66 -14 C ATOM 273 O VAL H 37 40.062 22.454 12.083 1.00 16.33 O ANISOU 273 O VAL H 37 2092 2218 1897 325 -16 -6 O ATOM 274 CB VAL H 37 41.275 19.763 12.551 1.00 14.90 C ANISOU 274 CB VAL H 37 1983 1990 1688 384 -95 5 C ATOM 275 CG1 VAL H 37 42.677 20.232 12.894 1.00 18.32 C ANISOU 275 CG1 VAL H 37 2352 2422 2188 433 -156 -69 C ATOM 276 CG2 VAL H 37 41.163 18.253 12.726 1.00 17.35 C ANISOU 276 CG2 VAL H 37 2375 2264 1954 402 -98 43 C ATOM 0 H VAL H 37 38.636 20.502 12.260 1.00 13.92 H new ATOM 0 HA VAL H 37 40.359 20.252 14.346 1.00 15.18 H new ATOM 0 HB VAL H 37 41.100 19.978 11.622 1.00 14.90 H new ATOM 0 HG11 VAL H 37 43.320 19.762 12.341 1.00 18.32 H new ATOM 0 HG12 VAL H 37 42.748 21.186 12.732 1.00 18.32 H new ATOM 0 HG13 VAL H 37 42.860 20.049 13.829 1.00 18.32 H new ATOM 0 HG21 VAL H 37 41.830 17.813 12.176 1.00 17.35 H new ATOM 0 HG22 VAL H 37 41.309 18.023 13.657 1.00 17.35 H new ATOM 0 HG23 VAL H 37 40.278 17.961 12.456 1.00 17.35 H new ATOM 277 N ARG H 38 40.856 22.715 14.167 1.00 14.65 N ANISOU 277 N ARG H 38 1897 2016 1653 388 -113 -61 N ATOM 278 CA ARG H 38 40.998 24.154 13.994 1.00 14.39 C ANISOU 278 CA ARG H 38 1798 1985 1683 367 -86 -104 C ATOM 279 C ARG H 38 42.448 24.607 14.030 1.00 15.28 C ANISOU 279 C ARG H 38 1821 2072 1914 383 -123 -203 C ATOM 280 O ARG H 38 43.337 23.880 14.473 1.00 16.90 O ANISOU 280 O ARG H 38 2010 2274 2138 434 -209 -254 O ATOM 281 CB ARG H 38 40.168 24.921 15.026 1.00 13.24 C ANISOU 281 CB ARG H 38 1691 1864 1474 375 -90 -101 C ATOM 282 CG ARG H 38 40.728 24.885 16.427 1.00 14.60 C ANISOU 282 CG ARG H 38 1906 2044 1599 447 -185 -157 C ATOM 283 CD ARG H 38 39.882 25.733 17.353 1.00 15.54 C ANISOU 283 CD ARG H 38 2078 2180 1649 458 -167 -154 C ATOM 284 NE ARG H 38 40.469 25.785 18.681 1.00 16.61 N ANISOU 284 NE ARG H 38 2279 2317 1714 553 -275 -222 N ATOM 285 CZ ARG H 38 39.904 26.396 19.713 1.00 16.24 C ANISOU 285 CZ ARG H 38 2314 2279 1579 593 -275 -230 C ATOM 286 NH1 ARG H 38 38.736 27.001 19.553 1.00 16.80 N ANISOU 286 NH1 ARG H 38 2385 2355 1642 533 -164 -174 N ATOM 287 NH2 ARG H 38 40.507 26.403 20.891 1.00 19.15 N ANISOU 287 NH2 ARG H 38 2769 2647 1862 708 -395 -305 N ATOM 0 H ARG H 38 41.105 22.410 14.931 1.00 14.65 H new ATOM 0 HA ARG H 38 40.657 24.359 13.109 1.00 14.39 H new ATOM 0 HB2 ARG H 38 40.094 25.846 14.743 1.00 13.24 H new ATOM 0 HB3 ARG H 38 39.270 24.555 15.039 1.00 13.24 H new ATOM 0 HG2 ARG H 38 40.753 23.970 16.749 1.00 14.60 H new ATOM 0 HG3 ARG H 38 41.642 25.210 16.425 1.00 14.60 H new ATOM 0 HD2 ARG H 38 39.802 26.631 16.994 1.00 15.54 H new ATOM 0 HD3 ARG H 38 38.985 25.367 17.405 1.00 15.54 H new ATOM 0 HE ARG H 38 41.227 25.397 18.805 1.00 16.61 H new ATOM 0 HH11 ARG H 38 38.350 26.995 18.784 1.00 16.80 H new ATOM 0 HH12 ARG H 38 38.363 27.399 20.218 1.00 16.80 H new ATOM 0 HH21 ARG H 38 41.266 26.011 20.988 1.00 19.15 H new ATOM 0 HH22 ARG H 38 40.140 26.800 21.560 1.00 19.15 H new ATOM 288 N GLN H 39 42.687 25.824 13.562 1.00 15.07 N ANISOU 288 N GLN H 39 1732 2014 1982 345 -52 -242 N ATOM 289 CA GLN H 39 44.034 26.372 13.525 1.00 15.20 C ANISOU 289 CA GLN H 39 1629 1981 2165 338 -48 -361 C ATOM 290 C GLN H 39 43.985 27.870 13.771 1.00 17.59 C ANISOU 290 C GLN H 39 1891 2251 2543 305 6 -417 C ATOM 291 O GLN H 39 43.512 28.624 12.925 1.00 15.75 O ANISOU 291 O GLN H 39 1692 1975 2316 267 140 -361 O ATOM 292 CB GLN H 39 44.650 26.094 12.156 1.00 17.32 C ANISOU 292 CB GLN H 39 1865 2188 2526 306 70 -346 C ATOM 293 CG GLN H 39 46.082 26.571 12.002 1.00 17.55 C ANISOU 293 CG GLN H 39 1747 2143 2777 283 119 -481 C ATOM 294 CD GLN H 39 46.688 26.041 10.726 1.00 21.41 C ANISOU 294 CD GLN H 39 2228 2568 3339 265 249 -457 C ATOM 295 OE1 GLN H 39 46.015 25.990 9.695 1.00 23.09 O ANISOU 295 OE1 GLN H 39 2560 2761 3452 257 359 -345 O ATOM 296 NE2 GLN H 39 47.941 25.605 10.791 1.00 23.76 N ANISOU 296 NE2 GLN H 39 2392 2834 3803 274 227 -573 N ATOM 0 H GLN H 39 42.079 26.352 13.259 1.00 15.07 H new ATOM 0 HA GLN H 39 44.574 25.956 14.215 1.00 15.20 H new ATOM 0 HB2 GLN H 39 44.619 25.139 11.988 1.00 17.32 H new ATOM 0 HB3 GLN H 39 44.104 26.519 11.476 1.00 17.32 H new ATOM 0 HG2 GLN H 39 46.106 27.541 11.998 1.00 17.55 H new ATOM 0 HG3 GLN H 39 46.609 26.277 12.762 1.00 17.55 H new ATOM 0 HE21 GLN H 39 48.377 25.658 11.530 1.00 23.76 H new ATOM 0 HE22 GLN H 39 48.316 25.269 10.094 1.00 23.76 H new ATOM 297 N ALA H 40 44.468 28.316 14.929 1.00 18.86 N ANISOU 297 N ALA H 40 1993 2424 2749 336 -104 -535 N ATOM 298 CA ALA H 40 44.524 29.748 15.223 1.00 21.83 C ANISOU 298 CA ALA H 40 2316 2756 3220 301 -57 -614 C ATOM 299 C ALA H 40 45.524 30.425 14.277 1.00 23.54 C ANISOU 299 C ALA H 40 2413 2862 3667 230 96 -692 C ATOM 300 O ALA H 40 46.434 29.766 13.777 1.00 24.89 O ANISOU 300 O ALA H 40 2504 3003 3948 225 111 -738 O ATOM 301 CB ALA H 40 44.911 29.973 16.681 1.00 23.46 C ANISOU 301 CB ALA H 40 2489 2999 3426 367 -234 -750 C ATOM 0 H ALA H 40 44.767 27.809 15.556 1.00 18.86 H new ATOM 0 HA ALA H 40 43.649 30.142 15.083 1.00 21.83 H new ATOM 0 HB1 ALA H 40 44.945 30.925 16.864 1.00 23.46 H new ATOM 0 HB2 ALA H 40 44.253 29.556 17.259 1.00 23.46 H new ATOM 0 HB3 ALA H 40 45.782 29.581 16.849 1.00 23.46 H new ATOM 302 N PRO H 41 45.356 31.736 14.016 1.00 25.68 N ANISOU 302 N PRO H 41 2682 3057 4020 177 233 -707 N ATOM 303 CA PRO H 41 46.246 32.434 13.073 1.00 30.22 C ANISOU 303 CA PRO H 41 3175 3489 4820 104 441 -769 C ATOM 304 C PRO H 41 47.728 32.330 13.440 1.00 33.92 C ANISOU 304 C PRO H 41 3426 3908 5553 79 394 -980 C ATOM 305 O PRO H 41 48.114 32.717 14.543 1.00 35.05 O ANISOU 305 O PRO H 41 3460 4074 5782 97 242 -1142 O ATOM 306 CB PRO H 41 45.790 33.892 13.177 1.00 37.13 C ANISOU 306 CB PRO H 41 4089 4291 5729 68 555 -776 C ATOM 307 CG PRO H 41 44.366 33.811 13.604 1.00 35.95 C ANISOU 307 CG PRO H 41 4087 4250 5322 127 456 -646 C ATOM 308 CD PRO H 41 44.272 32.609 14.504 1.00 28.26 C ANISOU 308 CD PRO H 41 3102 3407 4230 186 234 -655 C ATOM 0 HA PRO H 41 46.184 32.050 12.185 1.00 30.22 H new ATOM 0 HB2 PRO H 41 46.324 34.383 13.821 1.00 37.13 H new ATOM 0 HB3 PRO H 41 45.878 34.351 12.327 1.00 37.13 H new ATOM 0 HG2 PRO H 41 44.097 34.617 14.072 1.00 35.95 H new ATOM 0 HG3 PRO H 41 43.778 33.718 12.838 1.00 35.95 H new ATOM 0 HD2 PRO H 41 44.397 32.848 15.436 1.00 28.26 H new ATOM 0 HD3 PRO H 41 43.406 32.177 14.436 1.00 28.26 H new ATOM 309 N GLY H 42 48.537 31.806 12.521 1.00 34.90 N ANISOU 309 N GLY H 42 3487 3964 5808 50 516 -992 N ATOM 310 CA GLY H 42 49.969 31.668 12.735 1.00 39.21 C ANISOU 310 CA GLY H 42 3797 4453 6646 27 490 -1208 C ATOM 311 C GLY H 42 50.354 30.503 13.632 1.00 33.50 C ANISOU 311 C GLY H 42 3006 3857 5867 128 197 -1290 C ATOM 312 O GLY H 42 51.534 30.315 13.947 1.00 38.24 O ANISOU 312 O GLY H 42 3403 4430 6696 137 112 -1493 O ATOM 0 H GLY H 42 48.267 31.521 11.756 1.00 34.90 H new ATOM 0 HA2 GLY H 42 50.406 31.560 11.876 1.00 39.21 H new ATOM 0 HA3 GLY H 42 50.309 32.489 13.124 1.00 39.21 H new ATOM 313 N GLN H 43 49.362 29.712 14.036 1.00 30.25 N ANISOU 313 N GLN H 43 2773 3570 5151 208 50 -1136 N ATOM 314 CA GLN H 43 49.580 28.637 15.002 1.00 28.82 C ANISOU 314 CA GLN H 43 2592 3494 4864 327 -216 -1188 C ATOM 315 C GLN H 43 49.337 27.257 14.399 1.00 29.82 C ANISOU 315 C GLN H 43 2828 3663 4841 365 -214 -1038 C ATOM 316 O GLN H 43 49.148 27.126 13.184 1.00 29.15 O ANISOU 316 O GLN H 43 2789 3527 4759 300 -20 -923 O ATOM 317 CB GLN H 43 48.693 28.839 16.236 1.00 31.22 C ANISOU 317 CB GLN H 43 3027 3885 4949 403 -386 -1159 C ATOM 318 CG GLN H 43 48.865 30.191 16.916 1.00 37.90 C ANISOU 318 CG GLN H 43 3783 4694 5922 377 -409 -1313 C ATOM 319 CD GLN H 43 50.301 30.462 17.323 1.00 45.43 C ANISOU 319 CD GLN H 43 4490 5601 7170 395 -523 -1597 C ATOM 320 OE1 GLN H 43 51.000 29.576 17.819 1.00 49.01 O ANISOU 320 OE1 GLN H 43 4887 6104 7632 508 -725 -1703 O ATOM 321 NE2 GLN H 43 50.752 31.693 17.110 1.00 57.24 N ANISOU 321 NE2 GLN H 43 5833 6990 8925 291 -391 -1736 N ATOM 0 H GLN H 43 48.550 29.782 13.761 1.00 30.25 H new ATOM 0 HA GLN H 43 50.513 28.676 15.266 1.00 28.82 H new ATOM 0 HB2 GLN H 43 47.765 28.736 15.975 1.00 31.22 H new ATOM 0 HB3 GLN H 43 48.886 28.138 16.879 1.00 31.22 H new ATOM 0 HG2 GLN H 43 48.565 30.891 16.316 1.00 37.90 H new ATOM 0 HG3 GLN H 43 48.297 30.228 17.702 1.00 37.90 H new ATOM 0 HE21 GLN H 43 50.236 32.286 16.762 1.00 57.24 H new ATOM 0 HE22 GLN H 43 51.561 31.897 17.320 1.00 57.24 H new ATOM 322 N GLY H 44 49.334 26.231 15.252 1.00 27.74 N ANISOU 322 N GLY H 44 2626 3480 4432 484 -426 -1042 N ATOM 323 CA GLY H 44 49.227 24.852 14.801 1.00 22.90 C ANISOU 323 CA GLY H 44 2106 2894 3700 527 -437 -927 C ATOM 324 C GLY H 44 47.824 24.263 14.812 1.00 24.85 C ANISOU 324 C GLY H 44 2575 3193 3675 532 -414 -719 C ATOM 325 O GLY H 44 46.864 24.917 15.208 1.00 25.42 O ANISOU 325 O GLY H 44 2732 3288 3638 509 -392 -657 O ATOM 0 H GLY H 44 49.394 26.319 16.105 1.00 27.74 H new ATOM 0 HA2 GLY H 44 49.577 24.796 13.898 1.00 22.90 H new ATOM 0 HA3 GLY H 44 49.796 24.301 15.360 1.00 22.90 H new ATOM 326 N LEU H 45 47.710 23.012 14.384 1.00 19.65 N ANISOU 326 N LEU H 45 1996 2543 2928 560 -412 -627 N ATOM 327 CA LEU H 45 46.424 22.321 14.305 1.00 16.50 C ANISOU 327 CA LEU H 45 1777 2174 2320 552 -374 -457 C ATOM 328 C LEU H 45 45.975 21.797 15.675 1.00 18.25 C ANISOU 328 C LEU H 45 2135 2432 2365 655 -508 -436 C ATOM 329 O LEU H 45 46.804 21.368 16.491 1.00 20.13 O ANISOU 329 O LEU H 45 2373 2676 2599 774 -662 -529 O ATOM 330 CB LEU H 45 46.510 21.167 13.294 1.00 16.50 C ANISOU 330 CB LEU H 45 1808 2150 2311 539 -311 -384 C ATOM 331 CG LEU H 45 46.957 21.561 11.882 1.00 16.04 C ANISOU 331 CG LEU H 45 1665 2039 2391 463 -156 -392 C ATOM 332 CD1 LEU H 45 47.231 20.323 11.050 1.00 15.83 C ANISOU 332 CD1 LEU H 45 1673 1989 2352 478 -124 -347 C ATOM 333 CD2 LEU H 45 45.908 22.446 11.206 1.00 18.00 C ANISOU 333 CD2 LEU H 45 1975 2281 2584 390 -28 -306 C ATOM 0 H LEU H 45 48.379 22.535 14.129 1.00 19.65 H new ATOM 0 HA LEU H 45 45.760 22.962 14.006 1.00 16.50 H new ATOM 0 HB2 LEU H 45 47.126 20.501 13.638 1.00 16.50 H new ATOM 0 HB3 LEU H 45 45.639 20.744 13.235 1.00 16.50 H new ATOM 0 HG LEU H 45 47.779 22.072 11.953 1.00 16.04 H new ATOM 0 HD11 LEU H 45 47.513 20.587 10.160 1.00 15.83 H new ATOM 0 HD12 LEU H 45 47.932 19.800 11.469 1.00 15.83 H new ATOM 0 HD13 LEU H 45 46.423 19.789 10.988 1.00 15.83 H new ATOM 0 HD21 LEU H 45 46.210 22.683 10.315 1.00 18.00 H new ATOM 0 HD22 LEU H 45 45.069 21.964 11.144 1.00 18.00 H new ATOM 0 HD23 LEU H 45 45.779 23.253 11.729 1.00 18.00 H new ATOM 334 N GLU H 46 44.663 21.838 15.917 1.00 17.61 N ANISOU 334 N GLU H 46 2181 2368 2142 622 -444 -321 N ATOM 335 CA GLU H 46 44.080 21.364 17.174 1.00 16.46 C ANISOU 335 CA GLU H 46 2204 2232 1819 712 -505 -277 C ATOM 336 C GLU H 46 42.796 20.582 16.889 1.00 15.69 C ANISOU 336 C GLU H 46 2226 2117 1620 655 -379 -134 C ATOM 337 O GLU H 46 41.848 21.111 16.311 1.00 15.61 O ANISOU 337 O GLU H 46 2181 2117 1631 557 -274 -86 O ATOM 338 CB GLU H 46 43.775 22.547 18.099 1.00 18.06 C ANISOU 338 CB GLU H 46 2418 2458 1985 731 -542 -329 C ATOM 339 CG GLU H 46 43.271 22.127 19.474 1.00 20.55 C ANISOU 339 CG GLU H 46 2940 2769 2098 849 -592 -291 C ATOM 340 CD GLU H 46 42.988 23.302 20.400 1.00 23.69 C ANISOU 340 CD GLU H 46 3364 3188 2450 880 -630 -350 C ATOM 341 OE1 GLU H 46 42.708 24.423 19.914 1.00 23.76 O ANISOU 341 OE1 GLU H 46 3250 3212 2566 776 -565 -373 O ATOM 342 OE2 GLU H 46 43.028 23.094 21.627 1.00 28.63 O ANISOU 342 OE2 GLU H 46 4158 3807 2915 1023 -720 -370 O ATOM 0 H GLU H 46 44.086 22.142 15.356 1.00 17.61 H new ATOM 0 HA GLU H 46 44.718 20.781 17.614 1.00 16.46 H new ATOM 0 HB2 GLU H 46 44.578 23.081 18.206 1.00 18.06 H new ATOM 0 HB3 GLU H 46 43.111 23.115 17.678 1.00 18.06 H new ATOM 0 HG2 GLU H 46 42.460 21.605 19.368 1.00 20.55 H new ATOM 0 HG3 GLU H 46 43.929 21.548 19.889 1.00 20.55 H new ATOM 343 N TRP H 47 42.750 19.318 17.290 1.00 17.34 N ANISOU 343 N TRP H 47 2570 2289 1730 722 -387 -80 N ATOM 344 CA TRP H 47 41.567 18.503 17.038 1.00 15.17 C ANISOU 344 CA TRP H 47 2388 1975 1402 656 -250 30 C ATOM 345 C TRP H 47 40.460 18.835 18.029 1.00 17.48 C ANISOU 345 C TRP H 47 2797 2253 1591 658 -170 79 C ATOM 346 O TRP H 47 40.708 19.012 19.226 1.00 21.18 O ANISOU 346 O TRP H 47 3391 2712 1943 772 -229 63 O ATOM 347 CB TRP H 47 41.943 17.025 17.147 1.00 18.09 C ANISOU 347 CB TRP H 47 2877 2282 1715 726 -257 70 C ATOM 348 CG TRP H 47 40.839 16.043 16.861 1.00 16.95 C ANISOU 348 CG TRP H 47 2815 2071 1554 649 -105 160 C ATOM 349 CD1 TRP H 47 40.365 15.657 15.628 1.00 18.21 C ANISOU 349 CD1 TRP H 47 2878 2226 1815 536 -36 170 C ATOM 350 CD2 TRP H 47 40.108 15.280 17.829 1.00 19.16 C ANISOU 350 CD2 TRP H 47 3295 2264 1720 688 6 235 C ATOM 351 NE1 TRP H 47 39.374 14.706 15.784 1.00 22.07 N ANISOU 351 NE1 TRP H 47 3463 2634 2291 489 97 228 N ATOM 352 CE2 TRP H 47 39.202 14.456 17.122 1.00 19.05 C ANISOU 352 CE2 TRP H 47 3264 2190 1784 572 148 276 C ATOM 353 CE3 TRP H 47 40.138 15.207 19.227 1.00 19.86 C ANISOU 353 CE3 TRP H 47 3594 2305 1645 820 8 267 C ATOM 354 CZ2 TRP H 47 38.323 13.585 17.775 1.00 22.45 C ANISOU 354 CZ2 TRP H 47 3858 2502 2170 560 323 345 C ATOM 355 CZ3 TRP H 47 39.262 14.345 19.874 1.00 24.03 C ANISOU 355 CZ3 TRP H 47 4324 2714 2092 825 192 357 C ATOM 356 CH2 TRP H 47 38.372 13.541 19.145 1.00 25.73 C ANISOU 356 CH2 TRP H 47 4495 2859 2423 684 362 394 C ATOM 0 H TRP H 47 43.386 18.915 17.706 1.00 17.34 H new ATOM 0 HA TRP H 47 41.238 18.692 16.145 1.00 15.17 H new ATOM 0 HB2 TRP H 47 42.675 16.849 16.535 1.00 18.09 H new ATOM 0 HB3 TRP H 47 42.276 16.859 18.043 1.00 18.09 H new ATOM 0 HD1 TRP H 47 40.666 15.987 14.812 1.00 18.21 H new ATOM 0 HE1 TRP H 47 38.936 14.332 15.146 1.00 22.07 H new ATOM 0 HE3 TRP H 47 40.735 15.727 19.715 1.00 19.86 H new ATOM 0 HZ2 TRP H 47 37.727 13.055 17.297 1.00 22.45 H new ATOM 0 HZ3 TRP H 47 39.265 14.300 20.803 1.00 24.03 H new ATOM 0 HH2 TRP H 47 37.802 12.965 19.602 1.00 25.73 H new ATOM 357 N MET H 48 39.233 18.916 17.533 1.00 17.93 N ANISOU 357 N MET H 48 2816 2303 1693 545 -39 126 N ATOM 358 CA AMET H 48 38.118 19.252 18.402 0.50 20.48 C ANISOU 358 CA AMET H 48 3223 2604 1953 534 68 164 C ATOM 359 CA BMET H 48 38.082 19.284 18.352 0.50 20.21 C ANISOU 359 CA BMET H 48 3182 2573 1926 527 70 163 C ATOM 360 C MET H 48 37.227 18.068 18.703 1.00 19.09 C ANISOU 360 C MET H 48 3171 2334 1750 507 227 236 C ATOM 361 O MET H 48 36.822 17.878 19.845 1.00 22.27 O ANISOU 361 O MET H 48 3748 2672 2041 567 319 280 O ATOM 362 CB AMET H 48 37.294 20.363 17.787 0.50 20.51 C ANISOU 362 CB AMET H 48 3080 2662 2050 438 106 140 C ATOM 363 CB BMET H 48 37.215 20.281 17.584 0.50 19.76 C ANISOU 363 CB BMET H 48 2968 2566 1972 422 114 141 C ATOM 364 CG AMET H 48 38.104 21.587 17.523 0.50 16.80 C ANISOU 364 CG AMET H 48 2509 2255 1618 455 -4 74 C ATOM 365 CG BMET H 48 37.996 21.394 16.914 0.50 22.02 C ANISOU 365 CG BMET H 48 3126 2918 2323 419 10 80 C ATOM 366 SD AMET H 48 37.093 22.846 16.761 0.50 14.45 S ANISOU 366 SD AMET H 48 2084 2002 1406 370 52 61 S ATOM 367 SD BMET H 48 38.105 22.852 17.959 0.50 26.90 S ANISOU 367 SD BMET H 48 3757 3569 2894 468 -33 32 S ATOM 368 CE AMET H 48 36.009 23.281 18.117 0.50 25.67 C ANISOU 368 CE AMET H 48 3597 3408 2748 388 141 82 C ATOM 369 CE BMET H 48 36.363 23.171 18.232 0.50 30.55 C ANISOU 369 CE BMET H 48 4235 4024 3350 408 114 78 C ATOM 0 H AMET H 48 39.027 18.782 16.709 0.50 17.93 H new ATOM 0 H BMET H 48 39.042 18.759 16.709 0.50 17.93 H new ATOM 0 HA AMET H 48 38.501 19.545 19.244 0.50 20.21 H new ATOM 0 HA BMET H 48 38.416 19.675 19.175 0.50 20.21 H new ATOM 0 HB2AMET H 48 36.903 20.051 16.956 0.50 19.76 H new ATOM 0 HB2BMET H 48 36.710 19.802 16.909 0.50 19.76 H new ATOM 0 HB3AMET H 48 36.560 20.585 18.381 0.50 19.76 H new ATOM 0 HB3BMET H 48 36.572 20.673 18.195 0.50 19.76 H new ATOM 0 HG2AMET H 48 38.477 21.921 18.354 0.50 22.02 H new ATOM 0 HG2BMET H 48 38.889 21.080 16.701 0.50 22.02 H new ATOM 0 HG3AMET H 48 38.851 21.369 16.944 0.50 22.02 H new ATOM 0 HG3BMET H 48 37.570 21.628 16.074 0.50 22.02 H new ATOM 0 HE1AMET H 48 35.949 24.247 18.186 0.50 30.55 H new ATOM 0 HE1BMET H 48 36.210 24.128 18.262 0.50 30.55 H new ATOM 0 HE2AMET H 48 35.126 22.913 17.956 0.50 30.55 H new ATOM 0 HE2BMET H 48 35.846 22.784 17.509 0.50 30.55 H new ATOM 0 HE3AMET H 48 36.364 22.919 18.944 0.50 30.55 H new ATOM 0 HE3BMET H 48 36.089 22.774 19.074 0.50 30.55 H new ATOM 370 N GLY H 49 36.930 17.268 17.687 1.00 17.69 N ANISOU 370 N GLY H 49 2916 2131 1675 421 274 241 N ATOM 371 CA GLY H 49 36.039 16.142 17.859 1.00 18.61 C ANISOU 371 CA GLY H 49 3116 2139 1817 370 446 286 C ATOM 372 C GLY H 49 35.628 15.579 16.519 1.00 16.97 C ANISOU 372 C GLY H 49 2758 1930 1760 261 458 247 C ATOM 373 O GLY H 49 36.051 16.069 15.477 1.00 17.25 O ANISOU 373 O GLY H 49 2659 2048 1847 245 336 201 O ATOM 0 H GLY H 49 37.237 17.364 16.890 1.00 17.69 H new ATOM 0 HA2 GLY H 49 36.477 15.454 18.384 1.00 18.61 H new ATOM 0 HA3 GLY H 49 35.252 16.419 18.354 1.00 18.61 H new ATOM 374 N GLY H 50 34.789 14.555 16.545 1.00 19.30 N ANISOU 374 N GLY H 50 3087 2118 2129 191 616 258 N ATOM 375 CA GLY H 50 34.337 13.947 15.311 1.00 19.95 C ANISOU 375 CA GLY H 50 3028 2190 2362 96 614 194 C ATOM 376 C GLY H 50 33.021 13.227 15.485 1.00 22.29 C ANISOU 376 C GLY H 50 3297 2370 2803 -12 814 162 C ATOM 377 O GLY H 50 32.544 13.032 16.610 1.00 25.07 O ANISOU 377 O GLY H 50 3777 2623 3126 -11 998 214 O ATOM 0 H GLY H 50 34.473 14.201 17.262 1.00 19.30 H new ATOM 0 HA2 GLY H 50 34.243 14.631 14.630 1.00 19.95 H new ATOM 0 HA3 GLY H 50 35.008 13.322 14.995 1.00 19.95 H new ATOM 378 N ILE H 51 32.435 12.813 14.369 1.00 22.70 N ANISOU 378 N ILE H 51 3186 2421 3018 -99 790 64 N ATOM 379 CA ILE H 51 31.179 12.077 14.408 1.00 23.86 C ANISOU 379 CA ILE H 51 3254 2447 3363 -217 974 -11 C ATOM 380 C ILE H 51 31.155 11.034 13.304 1.00 25.47 C ANISOU 380 C ILE H 51 3378 2608 3691 -273 928 -98 C ATOM 381 O ILE H 51 31.731 11.246 12.235 1.00 22.30 O ANISOU 381 O ILE H 51 2914 2309 3249 -229 729 -134 O ATOM 382 CB ILE H 51 29.967 13.033 14.253 1.00 25.65 C ANISOU 382 CB ILE H 51 3278 2735 3733 -276 978 -116 C ATOM 383 CG1 ILE H 51 28.652 12.307 14.547 1.00 32.69 C ANISOU 383 CG1 ILE H 51 4075 3480 4868 -404 1212 -208 C ATOM 384 CG2 ILE H 51 29.951 13.682 12.867 1.00 27.54 C ANISOU 384 CG2 ILE H 51 3342 3116 4008 -252 737 -220 C ATOM 385 CD1 ILE H 51 27.428 13.214 14.489 1.00 34.99 C ANISOU 385 CD1 ILE H 51 4147 3822 5325 -452 1224 -330 C ATOM 0 H ILE H 51 32.748 12.948 13.579 1.00 22.70 H new ATOM 0 HA ILE H 51 31.113 11.638 15.270 1.00 23.86 H new ATOM 0 HB ILE H 51 30.061 13.743 14.907 1.00 25.65 H new ATOM 0 HG12 ILE H 51 28.540 11.585 13.909 1.00 32.69 H new ATOM 0 HG13 ILE H 51 28.704 11.903 15.427 1.00 32.69 H new ATOM 0 HG21 ILE H 51 29.186 14.274 12.795 1.00 27.54 H new ATOM 0 HG22 ILE H 51 30.766 14.192 12.739 1.00 27.54 H new ATOM 0 HG23 ILE H 51 29.891 12.993 12.187 1.00 27.54 H new ATOM 0 HD11 ILE H 51 26.631 12.696 14.684 1.00 34.99 H new ATOM 0 HD12 ILE H 51 27.520 13.924 15.144 1.00 34.99 H new ATOM 0 HD13 ILE H 51 27.353 13.601 13.603 1.00 34.99 H new ATOM 386 N ILE H 52 30.516 9.901 13.576 1.00 29.05 N ANISOU 386 N ILE H 52 3851 2893 4293 -365 1132 -130 N ATOM 387 CA ILE H 52 30.221 8.930 12.537 1.00 29.57 C ANISOU 387 CA ILE H 52 3803 2902 4529 -440 1103 -254 C ATOM 388 C ILE H 52 28.765 9.137 12.138 1.00 31.20 C ANISOU 388 C ILE H 52 3750 3098 5006 -552 1140 -443 C ATOM 389 O ILE H 52 27.862 8.818 12.908 1.00 36.02 O ANISOU 389 O ILE H 52 4333 3571 5783 -649 1388 -473 O ATOM 390 CB ILE H 52 30.407 7.489 13.036 1.00 36.86 C ANISOU 390 CB ILE H 52 4898 3623 5485 -480 1317 -197 C ATOM 391 CG1 ILE H 52 31.743 7.342 13.770 1.00 45.13 C ANISOU 391 CG1 ILE H 52 6223 4665 6257 -340 1303 -10 C ATOM 392 CG2 ILE H 52 30.301 6.510 11.876 1.00 41.76 C ANISOU 392 CG2 ILE H 52 5410 4196 6261 -544 1251 -330 C ATOM 393 CD1 ILE H 52 32.014 5.935 14.294 1.00 51.45 C ANISOU 393 CD1 ILE H 52 7243 5258 7049 -339 1506 65 C ATOM 0 H ILE H 52 30.245 9.677 14.361 1.00 29.05 H new ATOM 0 HA ILE H 52 30.827 9.058 11.790 1.00 29.57 H new ATOM 0 HB ILE H 52 29.700 7.283 13.667 1.00 36.86 H new ATOM 0 HG12 ILE H 52 32.461 7.597 13.169 1.00 45.13 H new ATOM 0 HG13 ILE H 52 31.762 7.963 14.515 1.00 45.13 H new ATOM 0 HG21 ILE H 52 30.420 5.605 12.204 1.00 41.76 H new ATOM 0 HG22 ILE H 52 29.427 6.591 11.463 1.00 41.76 H new ATOM 0 HG23 ILE H 52 30.988 6.709 11.221 1.00 41.76 H new ATOM 0 HD11 ILE H 52 32.873 5.917 14.745 1.00 51.45 H new ATOM 0 HD12 ILE H 52 31.316 5.682 14.918 1.00 51.45 H new ATOM 0 HD13 ILE H 52 32.026 5.310 13.552 1.00 51.45 H new ATOM 394 N PRO H 53 28.536 9.698 10.941 1.00 33.98 N ANISOU 394 N PRO H 53 3919 3588 5405 -524 896 -577 N ATOM 395 CA PRO H 53 27.184 10.046 10.486 1.00 40.61 C ANISOU 395 CA PRO H 53 4492 4446 6492 -589 862 -785 C ATOM 396 C PRO H 53 26.189 8.878 10.478 1.00 44.56 C ANISOU 396 C PRO H 53 4851 4768 7314 -739 1044 -953 C ATOM 397 O PRO H 53 25.005 9.108 10.728 1.00 52.07 O ANISOU 397 O PRO H 53 5600 5676 8509 -821 1144 -1096 O ATOM 398 CB PRO H 53 27.421 10.560 9.063 1.00 41.21 C ANISOU 398 CB PRO H 53 4485 4679 6495 -486 543 -883 C ATOM 399 CG PRO H 53 28.812 11.105 9.099 1.00 36.93 C ANISOU 399 CG PRO H 53 4151 4231 5650 -371 453 -687 C ATOM 400 CD PRO H 53 29.573 10.175 10.005 1.00 33.95 C ANISOU 400 CD PRO H 53 3967 3729 5201 -404 641 -537 C ATOM 0 HA PRO H 53 26.772 10.685 11.088 1.00 40.61 H new ATOM 0 HB2 PRO H 53 27.336 9.848 8.410 1.00 41.21 H new ATOM 0 HB3 PRO H 53 26.778 11.245 8.821 1.00 41.21 H new ATOM 0 HG2 PRO H 53 29.203 11.128 8.212 1.00 36.93 H new ATOM 0 HG3 PRO H 53 28.824 12.014 9.438 1.00 36.93 H new ATOM 0 HD2 PRO H 53 29.975 9.443 9.512 1.00 33.95 H new ATOM 0 HD3 PRO H 53 30.291 10.633 10.468 1.00 33.95 H new ATOM 401 N ILE H 54 26.652 7.658 10.215 1.00 42.10 N ANISOU 401 N ILE H 54 4631 4341 7024 -777 1100 -946 N ATOM 402 CA ILE H 54 25.746 6.510 10.109 1.00 51.68 C ANISOU 402 CA ILE H 54 5702 5366 8569 -929 1276 -1126 C ATOM 403 C ILE H 54 25.189 6.040 11.467 1.00 59.34 C ANISOU 403 C ILE H 54 6755 6144 9647 -1022 1665 -1047 C ATOM 404 O ILE H 54 24.225 5.275 11.522 1.00 66.90 O ANISOU 404 O ILE H 54 7593 7001 10824 -1075 1809 -1184 O ATOM 405 CB ILE H 54 26.400 5.334 9.331 1.00 56.21 C ANISOU 405 CB ILE H 54 6356 5871 9128 -931 1210 -1152 C ATOM 406 CG1 ILE H 54 25.336 4.339 8.846 1.00 60.38 C ANISOU 406 CG1 ILE H 54 6674 6291 9979 -1031 1274 -1390 C ATOM 407 CG2 ILE H 54 27.473 4.657 10.172 1.00 56.82 C ANISOU 407 CG2 ILE H 54 6755 5838 8996 -900 1395 -904 C ATOM 408 CD1 ILE H 54 25.886 3.179 8.039 1.00 59.20 C ANISOU 408 CD1 ILE H 54 6589 6079 9826 -1031 1205 -1434 C ATOM 0 H ILE H 54 27.483 7.472 10.095 1.00 42.10 H new ATOM 0 HA ILE H 54 24.983 6.824 9.599 1.00 51.68 H new ATOM 0 HB ILE H 54 26.837 5.693 8.543 1.00 56.21 H new ATOM 0 HG12 ILE H 54 24.862 3.987 9.616 1.00 60.38 H new ATOM 0 HG13 ILE H 54 24.686 4.815 8.306 1.00 60.38 H new ATOM 0 HG21 ILE H 54 27.867 3.928 9.668 1.00 56.82 H new ATOM 0 HG22 ILE H 54 28.161 5.302 10.399 1.00 56.82 H new ATOM 0 HG23 ILE H 54 27.075 4.310 10.986 1.00 56.82 H new ATOM 0 HD11 ILE H 54 25.158 2.598 7.770 1.00 59.20 H new ATOM 0 HD12 ILE H 54 26.337 3.518 7.250 1.00 59.20 H new ATOM 0 HD13 ILE H 54 26.516 2.678 8.580 1.00 59.20 H new ATOM 409 N PHE H 55 25.785 6.512 12.559 1.00 56.25 N ANISOU 409 N PHE H 55 6598 5735 9039 -977 1807 -820 N ATOM 410 CA PHE H 55 25.258 6.224 13.892 1.00 58.15 C ANISOU 410 CA PHE H 55 6978 5840 9277 -977 2128 -732 C ATOM 411 C PHE H 55 24.781 7.493 14.592 1.00 65.46 C ANISOU 411 C PHE H 55 7864 6847 10160 -947 2154 -699 C ATOM 412 O PHE H 55 23.758 7.492 15.280 1.00 69.07 O ANISOU 412 O PHE H 55 8274 7218 10753 -971 2348 -763 O ATOM 413 CB PHE H 55 26.302 5.515 14.756 1.00 57.94 C ANISOU 413 CB PHE H 55 7323 5700 8992 -900 2284 -499 C ATOM 414 CG PHE H 55 26.778 4.216 14.181 1.00 61.52 C ANISOU 414 CG PHE H 55 7841 6059 9473 -917 2283 -516 C ATOM 415 CD1 PHE H 55 25.888 3.178 13.956 1.00 65.84 C ANISOU 415 CD1 PHE H 55 8257 6488 10270 -1001 2431 -675 C ATOM 416 CD2 PHE H 55 28.116 4.029 13.871 1.00 58.46 C ANISOU 416 CD2 PHE H 55 7648 5696 8869 -840 2140 -381 C ATOM 417 CE1 PHE H 55 26.322 1.977 13.423 1.00 67.43 C ANISOU 417 CE1 PHE H 55 8517 6608 10496 -1016 2433 -691 C ATOM 418 CE2 PHE H 55 28.558 2.831 13.337 1.00 61.23 C ANISOU 418 CE2 PHE H 55 8063 5960 9242 -846 2135 -400 C ATOM 419 CZ PHE H 55 27.660 1.803 13.114 1.00 63.79 C ANISOU 419 CZ PHE H 55 8254 6176 9805 -938 2282 -551 C ATOM 0 H PHE H 55 26.493 7.000 12.551 1.00 56.25 H new ATOM 0 HA PHE H 55 24.496 5.635 13.775 1.00 58.15 H new ATOM 0 HB2 PHE H 55 27.063 6.104 14.878 1.00 57.94 H new ATOM 0 HB3 PHE H 55 25.926 5.352 15.635 1.00 57.94 H new ATOM 0 HD1 PHE H 55 24.989 3.290 14.166 1.00 65.84 H new ATOM 0 HD2 PHE H 55 28.724 4.716 14.024 1.00 58.46 H new ATOM 0 HE1 PHE H 55 25.716 1.288 13.273 1.00 67.43 H new ATOM 0 HE2 PHE H 55 29.457 2.717 13.129 1.00 61.23 H new ATOM 0 HZ PHE H 55 27.955 0.996 12.757 1.00 63.79 H new ATOM 420 N GLY H 56 25.530 8.577 14.414 1.00 59.61 N ANISOU 420 N GLY H 56 7153 6275 9222 -878 1952 -605 N ATOM 421 CA GLY H 56 25.216 9.832 15.070 1.00 56.85 C ANISOU 421 CA GLY H 56 6786 6022 8792 -828 1957 -558 C ATOM 422 C GLY H 56 25.953 9.969 16.389 1.00 59.11 C ANISOU 422 C GLY H 56 7413 6252 8793 -736 2119 -321 C ATOM 423 O GLY H 56 25.638 10.844 17.199 1.00 62.18 O ANISOU 423 O GLY H 56 7841 6670 9114 -700 2198 -271 O ATOM 0 H GLY H 56 26.228 8.602 13.913 1.00 59.61 H new ATOM 0 HA2 GLY H 56 25.452 10.571 14.488 1.00 56.85 H new ATOM 0 HA3 GLY H 56 24.260 9.887 15.225 1.00 56.85 H new ATOM 424 N THR H 57 26.938 9.100 16.605 1.00 47.54 N ANISOU 424 N THR H 57 6204 4708 7152 -677 2149 -188 N ATOM 425 CA THR H 57 27.747 9.138 17.823 1.00 47.64 C ANISOU 425 CA THR H 57 6568 4668 6865 -546 2254 21 C ATOM 426 C THR H 57 28.942 10.097 17.698 1.00 38.77 C ANISOU 426 C THR H 57 5516 3760 5454 -387 1931 107 C ATOM 427 O THR H 57 29.799 9.941 16.822 1.00 43.40 O ANISOU 427 O THR H 57 6067 4446 5977 -342 1692 97 O ATOM 428 CB THR H 57 28.198 7.715 18.262 1.00 69.87 C ANISOU 428 CB THR H 57 9636 7312 9601 -490 2387 92 C ATOM 429 OG1 THR H 57 29.163 7.812 19.317 1.00 72.87 O ANISOU 429 OG1 THR H 57 10347 7690 9651 -303 2370 263 O ATOM 430 CG2 THR H 57 28.797 6.939 17.097 1.00 68.24 C ANISOU 430 CG2 THR H 57 9363 7104 9462 -540 2257 56 C ATOM 0 H THR H 57 27.156 8.476 16.055 1.00 47.54 H new ATOM 0 HA THR H 57 27.176 9.489 18.524 1.00 47.64 H new ATOM 0 HB THR H 57 27.414 7.238 18.576 1.00 69.87 H new ATOM 0 HG1 THR H 57 29.402 7.041 19.551 1.00 72.87 H new ATOM 0 HG21 THR H 57 29.068 6.058 17.400 1.00 68.24 H new ATOM 0 HG22 THR H 57 28.135 6.849 16.394 1.00 68.24 H new ATOM 0 HG23 THR H 57 29.570 7.415 16.754 1.00 68.24 H new ATOM 431 N ALA H 58 28.980 11.102 18.569 1.00 36.32 N ANISOU 431 N ALA H 58 5297 3510 4992 -306 1938 178 N ATOM 432 CA ALA H 58 30.039 12.112 18.523 1.00 27.51 C ANISOU 432 CA ALA H 58 4222 2584 3647 -171 1654 232 C ATOM 433 C ALA H 58 31.037 11.960 19.670 1.00 34.66 C ANISOU 433 C ALA H 58 5464 3440 4265 -5 1673 380 C ATOM 434 O ALA H 58 30.671 11.567 20.777 1.00 38.01 O ANISOU 434 O ALA H 58 6117 3707 4620 28 1927 459 O ATOM 435 CB ALA H 58 29.443 13.514 18.517 1.00 35.43 C ANISOU 435 CB ALA H 58 5054 3718 4691 -185 1580 172 C ATOM 0 H ALA H 58 28.402 11.219 19.195 1.00 36.32 H new ATOM 0 HA ALA H 58 30.529 11.973 17.697 1.00 27.51 H new ATOM 0 HB1 ALA H 58 30.157 14.169 18.486 1.00 35.43 H new ATOM 0 HB2 ALA H 58 28.874 13.620 17.739 1.00 35.43 H new ATOM 0 HB3 ALA H 58 28.918 13.646 19.322 1.00 35.43 H new ATOM 436 N ASN H 59 32.298 12.273 19.382 1.00 29.73 N ANISOU 436 N ASN H 59 4872 2943 3480 110 1405 405 N ATOM 437 CA AASN H 59 33.362 12.215 20.376 0.50 31.32 C ANISOU 437 CA AASN H 59 5356 3127 3416 297 1344 505 C ATOM 438 CA BASN H 59 33.387 12.198 20.349 0.50 31.78 C ANISOU 438 CA BASN H 59 5413 3187 3476 297 1339 504 C ATOM 439 C ASN H 59 34.117 13.536 20.392 1.00 28.66 C ANISOU 439 C ASN H 59 4943 2973 2974 384 1087 475 C ATOM 440 O ASN H 59 34.311 14.154 19.353 1.00 24.44 O ANISOU 440 O ASN H 59 4172 2570 2542 322 917 402 O ATOM 441 CB AASN H 59 34.332 11.078 20.057 0.50 33.38 C ANISOU 441 CB AASN H 59 5733 3333 3616 368 1272 541 C ATOM 442 CB BASN H 59 34.367 11.109 19.919 0.50 33.48 C ANISOU 442 CB BASN H 59 5717 3361 3642 359 1251 532 C ATOM 443 CG AASN H 59 33.626 9.766 19.769 0.50 36.93 C ANISOU 443 CG AASN H 59 6212 3604 4217 255 1510 546 C ATOM 444 CG BASN H 59 35.236 10.623 21.056 0.50 42.14 C ANISOU 444 CG BASN H 59 7154 4374 4483 567 1249 630 C ATOM 445 OD1AASN H 59 32.792 9.308 20.548 0.50 38.88 O ANISOU 445 OD1AASN H 59 6584 3694 4496 225 1775 573 O ATOM 446 OD1BASN H 59 34.792 10.541 22.200 0.50 49.77 O ANISOU 446 OD1BASN H 59 8274 5252 5384 629 1382 640 O ATOM 447 ND2AASN H 59 33.957 9.158 18.636 0.50 36.57 N ANISOU 447 ND2AASN H 59 6024 3584 4285 194 1404 491 N ATOM 448 ND2BASN H 59 36.484 10.291 20.747 0.50 44.63 N ANISOU 448 ND2BASN H 59 7502 4743 4712 683 1035 627 N ATOM 0 H AASN H 59 32.559 12.525 18.603 0.50 29.73 H new ATOM 0 H BASN H 59 32.548 12.540 18.604 0.50 29.73 H new ATOM 0 HA AASN H 59 32.966 12.053 21.246 0.50 31.78 H new ATOM 0 HA BASN H 59 33.029 11.991 21.227 0.50 31.78 H new ATOM 0 HB2AASN H 59 34.872 11.325 19.290 0.50 33.48 H new ATOM 0 HB2BASN H 59 33.872 10.360 19.553 0.50 33.48 H new ATOM 0 HB3AASN H 59 34.939 10.957 20.804 0.50 33.48 H new ATOM 0 HB3BASN H 59 34.932 11.450 19.208 0.50 33.48 H new ATOM 0 HD21AASN H 59 33.583 8.413 18.422 0.50 44.63 H new ATOM 0 HD21BASN H 59 37.017 10.005 21.359 0.50 44.63 H new ATOM 0 HD22AASN H 59 34.545 9.509 18.116 0.50 44.63 H new ATOM 0 HD22BASN H 59 36.759 10.362 19.935 0.50 44.63 H new ATOM 449 N TYR H 60 34.543 13.972 21.574 1.00 27.96 N ANISOU 449 N TYR H 60 5069 2877 2677 535 1067 526 N ATOM 450 CA TYR H 60 35.202 15.272 21.709 1.00 26.40 C ANISOU 450 CA TYR H 60 4796 2833 2403 610 843 477 C ATOM 451 C TYR H 60 36.502 15.241 22.517 1.00 33.89 C ANISOU 451 C TYR H 60 5949 3795 3131 825 663 489 C ATOM 452 O TYR H 60 36.700 14.378 23.379 1.00 35.09 O ANISOU 452 O TYR H 60 6322 3831 3179 938 721 523 O ATOM 453 CB TYR H 60 34.249 16.283 22.357 1.00 30.15 C ANISOU 453 CB TYR H 60 5260 3320 2877 578 957 470 C ATOM 454 CG TYR H 60 32.880 16.374 21.719 1.00 26.78 C ANISOU 454 CG TYR H 60 4626 2874 2676 392 1129 434 C ATOM 455 CD1 TYR H 60 32.685 17.093 20.546 1.00 24.93 C ANISOU 455 CD1 TYR H 60 4103 2765 2604 291 996 349 C ATOM 456 CD2 TYR H 60 31.784 15.753 22.296 1.00 32.71 C ANISOU 456 CD2 TYR H 60 5474 3469 3483 332 1430 471 C ATOM 457 CE1 TYR H 60 31.436 17.182 19.967 1.00 26.53 C ANISOU 457 CE1 TYR H 60 4112 2957 3012 153 1113 289 C ATOM 458 CE2 TYR H 60 30.533 15.842 21.727 1.00 32.24 C ANISOU 458 CE2 TYR H 60 5189 3393 3670 167 1572 401 C ATOM 459 CZ TYR H 60 30.369 16.555 20.558 1.00 28.31 C ANISOU 459 CZ TYR H 60 4394 3039 3322 88 1389 302 C ATOM 460 OH TYR H 60 29.115 16.632 19.999 1.00 27.46 O ANISOU 460 OH TYR H 60 4058 2918 3459 -47 1495 208 O ATOM 0 H TYR H 60 34.461 13.533 22.309 1.00 27.96 H new ATOM 0 HA TYR H 60 35.437 15.534 20.805 1.00 26.40 H new ATOM 0 HB2 TYR H 60 34.140 16.050 23.292 1.00 30.15 H new ATOM 0 HB3 TYR H 60 34.662 17.160 22.329 1.00 30.15 H new ATOM 0 HD1 TYR H 60 33.407 17.521 20.145 1.00 24.93 H new ATOM 0 HD2 TYR H 60 31.895 15.268 23.081 1.00 32.71 H new ATOM 0 HE1 TYR H 60 31.318 17.664 19.181 1.00 26.53 H new ATOM 0 HE2 TYR H 60 29.805 15.425 22.128 1.00 32.24 H new ATOM 0 HH TYR H 60 28.556 16.275 20.514 1.00 27.46 H new ATOM 461 N ALA H 61 37.379 16.202 22.249 1.00 27.83 N ANISOU 461 N ALA H 61 5037 3167 2370 866 420 406 N ATOM 462 CA ALA H 61 38.499 16.461 23.144 1.00 32.09 C ANISOU 462 CA ALA H 61 5717 3735 2743 1069 224 363 C ATOM 463 C ALA H 61 37.919 16.999 24.442 1.00 32.16 C ANISOU 463 C ALA H 61 5866 3694 2660 1131 307 363 C ATOM 464 O ALA H 61 36.958 17.765 24.415 1.00 28.73 O ANISOU 464 O ALA H 61 5368 3280 2266 1030 428 379 O ATOM 465 CB ALA H 61 39.437 17.476 22.532 1.00 32.26 C ANISOU 465 CB ALA H 61 5504 3897 2856 1062 -13 249 C ATOM 0 H ALA H 61 37.344 16.713 21.558 1.00 27.83 H new ATOM 0 HA ALA H 61 39.006 15.649 23.302 1.00 32.09 H new ATOM 0 HB1 ALA H 61 40.177 17.639 23.137 1.00 32.26 H new ATOM 0 HB2 ALA H 61 39.777 17.136 21.690 1.00 32.26 H new ATOM 0 HB3 ALA H 61 38.959 18.305 22.376 1.00 32.26 H new ATOM 466 N GLN H 62 38.503 16.603 25.569 1.00 30.96 N ANISOU 466 N GLN H 62 5910 3472 2384 1309 244 337 N ATOM 467 CA GLN H 62 38.012 17.025 26.882 1.00 29.30 C ANISOU 467 CA GLN H 62 5876 3191 2066 1402 322 340 C ATOM 468 C GLN H 62 37.914 18.545 27.003 1.00 32.48 C ANISOU 468 C GLN H 62 6151 3704 2485 1375 223 276 C ATOM 469 O GLN H 62 36.989 19.072 27.626 1.00 33.41 O ANISOU 469 O GLN H 62 6336 3781 2579 1350 368 308 O ATOM 470 CB GLN H 62 38.918 16.471 27.986 1.00 29.32 C ANISOU 470 CB GLN H 62 6104 3118 1917 1638 206 292 C ATOM 471 CG GLN H 62 38.387 16.700 29.393 1.00 40.53 C ANISOU 471 CG GLN H 62 7768 4428 3204 1765 312 310 C ATOM 472 CD GLN H 62 37.066 15.991 29.633 1.00 58.02 C ANISOU 472 CD GLN H 62 10126 6485 5433 1680 652 428 C ATOM 473 OE1 GLN H 62 36.781 14.959 29.021 1.00 63.48 O ANISOU 473 OE1 GLN H 62 10813 7111 6196 1591 795 486 O ATOM 474 NE2 GLN H 62 36.248 16.546 30.522 1.00 64.90 N ANISOU 474 NE2 GLN H 62 11116 7285 6258 1702 792 455 N ATOM 0 H GLN H 62 39.190 16.086 25.597 1.00 30.96 H new ATOM 0 HA GLN H 62 37.116 16.667 26.983 1.00 29.30 H new ATOM 0 HB2 GLN H 62 39.038 15.519 27.846 1.00 29.32 H new ATOM 0 HB3 GLN H 62 39.794 16.881 27.910 1.00 29.32 H new ATOM 0 HG2 GLN H 62 39.041 16.388 30.038 1.00 40.53 H new ATOM 0 HG3 GLN H 62 38.273 17.652 29.542 1.00 40.53 H new ATOM 0 HE21 GLN H 62 36.481 17.266 30.930 1.00 64.90 H new ATOM 0 HE22 GLN H 62 35.486 16.184 30.689 1.00 64.90 H new ATOM 475 N LYS H 63 38.873 19.236 26.397 1.00 29.89 N ANISOU 475 N LYS H 63 5637 3508 2213 1378 -11 177 N ATOM 476 CA LYS H 63 38.923 20.696 26.398 1.00 29.86 C ANISOU 476 CA LYS H 63 5495 3608 2243 1350 -118 94 C ATOM 477 C LYS H 63 37.618 21.327 25.911 1.00 29.76 C ANISOU 477 C LYS H 63 5398 3620 2292 1183 77 158 C ATOM 478 O LYS H 63 37.202 22.387 26.393 1.00 34.56 O ANISOU 478 O LYS H 63 5994 4254 2881 1181 89 125 O ATOM 479 CB LYS H 63 40.076 21.158 25.503 1.00 41.07 C ANISOU 479 CB LYS H 63 6690 5141 3771 1336 -348 -21 C ATOM 480 CG LYS H 63 40.182 22.666 25.321 1.00 39.65 C ANISOU 480 CG LYS H 63 6345 5060 3661 1289 -448 -123 C ATOM 481 CD LYS H 63 41.452 23.034 24.567 1.00 35.89 C ANISOU 481 CD LYS H 63 5649 4661 3327 1287 -662 -262 C ATOM 482 CE LYS H 63 41.598 24.544 24.426 1.00 42.10 C ANISOU 482 CE LYS H 63 6245 5504 4249 1213 -720 -379 C ATOM 483 NZ LYS H 63 42.794 24.908 23.614 1.00 37.40 N ANISOU 483 NZ LYS H 63 5394 4942 3873 1166 -854 -516 N ATOM 0 H LYS H 63 39.521 18.867 25.968 1.00 29.89 H new ATOM 0 HA LYS H 63 39.059 20.985 27.314 1.00 29.86 H new ATOM 0 HB2 LYS H 63 40.909 20.831 25.877 1.00 41.07 H new ATOM 0 HB3 LYS H 63 39.976 20.746 24.630 1.00 41.07 H new ATOM 0 HG2 LYS H 63 39.408 22.992 24.836 1.00 39.65 H new ATOM 0 HG3 LYS H 63 40.178 23.101 26.188 1.00 39.65 H new ATOM 0 HD2 LYS H 63 42.223 22.675 25.034 1.00 35.89 H new ATOM 0 HD3 LYS H 63 41.438 22.625 23.687 1.00 35.89 H new ATOM 0 HE2 LYS H 63 40.801 24.909 24.011 1.00 42.10 H new ATOM 0 HE3 LYS H 63 41.669 24.946 25.306 1.00 42.10 H new ATOM 0 HZ1 LYS H 63 42.677 25.715 23.258 1.00 37.40 H new ATOM 0 HZ2 LYS H 63 43.516 24.915 24.135 1.00 37.40 H new ATOM 0 HZ3 LYS H 63 42.904 24.311 22.963 1.00 37.40 H new ATOM 484 N PHE H 64 36.977 20.662 24.956 1.00 31.78 N ANISOU 484 N PHE H 64 5587 3860 2628 1050 231 237 N ATOM 485 CA PHE H 64 35.798 21.205 24.303 1.00 35.48 C ANISOU 485 CA PHE H 64 5887 4351 3243 875 393 258 C ATOM 486 C PHE H 64 34.492 20.554 24.752 1.00 36.85 C ANISOU 486 C PHE H 64 6192 4405 3404 824 688 350 C ATOM 487 O PHE H 64 33.405 21.003 24.371 1.00 34.41 O ANISOU 487 O PHE H 64 5731 4104 3240 690 826 345 O ATOM 488 CB PHE H 64 35.953 21.070 22.793 1.00 32.55 C ANISOU 488 CB PHE H 64 5251 4040 3077 733 337 232 C ATOM 489 CG PHE H 64 37.130 21.811 22.242 1.00 26.64 C ANISOU 489 CG PHE H 64 4348 3386 2386 754 111 140 C ATOM 490 CD1 PHE H 64 38.188 21.125 21.672 1.00 23.47 C ANISOU 490 CD1 PHE H 64 3906 2994 2018 783 -10 116 C ATOM 491 CD2 PHE H 64 37.181 23.195 22.300 1.00 28.32 C ANISOU 491 CD2 PHE H 64 4458 3665 2639 740 43 69 C ATOM 492 CE1 PHE H 64 39.277 21.800 21.168 1.00 26.37 C ANISOU 492 CE1 PHE H 64 4117 3428 2474 791 -179 18 C ATOM 493 CE2 PHE H 64 38.267 23.881 21.794 1.00 29.69 C ANISOU 493 CE2 PHE H 64 4486 3897 2899 745 -123 -26 C ATOM 494 CZ PHE H 64 39.317 23.184 21.227 1.00 27.08 C ANISOU 494 CZ PHE H 64 4101 3569 2618 766 -226 -55 C ATOM 0 H PHE H 64 37.214 19.886 24.671 1.00 31.78 H new ATOM 0 HA PHE H 64 35.737 22.138 24.563 1.00 35.48 H new ATOM 0 HB2 PHE H 64 36.037 20.130 22.567 1.00 32.55 H new ATOM 0 HB3 PHE H 64 35.146 21.394 22.363 1.00 32.55 H new ATOM 0 HD1 PHE H 64 38.163 20.196 21.629 1.00 23.47 H new ATOM 0 HD2 PHE H 64 36.477 23.666 22.684 1.00 28.32 H new ATOM 0 HE1 PHE H 64 39.984 21.329 20.789 1.00 26.37 H new ATOM 0 HE2 PHE H 64 38.292 24.810 21.835 1.00 29.69 H new ATOM 0 HZ PHE H 64 40.050 23.643 20.885 1.00 27.08 H new ATOM 495 N GLN H 65 34.599 19.499 25.558 1.00 31.68 N ANISOU 495 N GLN H 65 5744 3621 2673 910 758 400 N ATOM 496 CA GLN H 65 33.426 18.821 26.081 1.00 38.68 C ANISOU 496 CA GLN H 65 6731 4355 3610 854 1042 463 C ATOM 497 C GLN H 65 32.519 19.833 26.773 1.00 36.27 C ANISOU 497 C GLN H 65 6422 4043 3314 834 1149 450 C ATOM 498 O GLN H 65 32.956 20.572 27.655 1.00 38.30 O ANISOU 498 O GLN H 65 6785 4324 3442 961 1030 422 O ATOM 499 CB GLN H 65 33.853 17.732 27.071 1.00 36.33 C ANISOU 499 CB GLN H 65 6705 3909 3188 1004 1076 502 C ATOM 500 CG GLN H 65 32.758 16.741 27.434 1.00 52.59 C ANISOU 500 CG GLN H 65 8876 5779 5326 940 1390 562 C ATOM 501 CD GLN H 65 32.470 15.763 26.314 1.00 57.78 C ANISOU 501 CD GLN H 65 9402 6406 6146 792 1494 577 C ATOM 502 OE1 GLN H 65 33.382 15.138 25.771 1.00 58.32 O ANISOU 502 OE1 GLN H 65 9475 6507 6176 832 1357 581 O ATOM 503 NE2 GLN H 65 31.198 15.630 25.957 1.00 58.52 N ANISOU 503 NE2 GLN H 65 9362 6433 6440 621 1731 570 N ATOM 0 H GLN H 65 35.348 19.162 25.812 1.00 31.68 H new ATOM 0 HA GLN H 65 32.941 18.406 25.351 1.00 38.68 H new ATOM 0 HB2 GLN H 65 34.602 17.244 26.694 1.00 36.33 H new ATOM 0 HB3 GLN H 65 34.171 18.157 27.883 1.00 36.33 H new ATOM 0 HG2 GLN H 65 33.020 16.251 28.229 1.00 52.59 H new ATOM 0 HG3 GLN H 65 31.947 17.225 27.654 1.00 52.59 H new ATOM 0 HE21 GLN H 65 30.589 16.084 26.360 1.00 58.52 H new ATOM 0 HE22 GLN H 65 30.984 15.090 25.323 1.00 58.52 H new ATOM 504 N GLY H 66 31.264 19.898 26.349 1.00 34.44 N ANISOU 504 N GLY H 66 6048 3782 3255 677 1362 453 N ATOM 505 CA GLY H 66 30.308 20.754 27.019 1.00 35.83 C ANISOU 505 CA GLY H 66 6214 3935 3464 656 1487 439 C ATOM 506 C GLY H 66 30.016 22.069 26.328 1.00 37.57 C ANISOU 506 C GLY H 66 6203 4308 3765 581 1411 374 C ATOM 507 O GLY H 66 29.047 22.746 26.675 1.00 39.47 O ANISOU 507 O GLY H 66 6384 4533 4081 537 1535 352 O ATOM 0 H GLY H 66 30.951 19.457 25.680 1.00 34.44 H new ATOM 0 HA2 GLY H 66 29.475 20.267 27.119 1.00 35.83 H new ATOM 0 HA3 GLY H 66 30.636 20.942 27.913 1.00 35.83 H new ATOM 508 N ARG H 67 30.846 22.456 25.365 1.00 30.44 N ANISOU 508 N ARG H 67 5175 3542 2848 579 1214 337 N ATOM 509 CA ARG H 67 30.523 23.658 24.594 1.00 31.62 C ANISOU 509 CA ARG H 67 5069 3811 3132 502 1117 263 C ATOM 510 C ARG H 67 30.716 23.505 23.082 1.00 27.24 C ANISOU 510 C ARG H 67 4261 3334 2755 401 980 219 C ATOM 511 O ARG H 67 30.486 24.454 22.343 1.00 24.55 O ANISOU 511 O ARG H 67 3730 3079 2519 355 889 162 O ATOM 512 CB ARG H 67 31.206 24.925 25.149 1.00 39.94 C ANISOU 512 CB ARG H 67 6177 4943 4055 606 947 220 C ATOM 513 CG ARG H 67 32.665 25.097 24.804 0.62 32.21 C ANISOU 513 CG ARG H 67 5178 4040 3020 670 678 177 C ATOM 514 CD ARG H 67 33.220 26.446 25.287 0.51 19.30 C ANISOU 514 CD ARG H 67 3547 2469 1319 745 527 100 C ATOM 515 NE ARG H 67 34.617 26.541 24.885 1.00 25.70 N ANISOU 515 NE ARG H 67 4296 3335 2134 788 293 34 N ATOM 516 CZ ARG H 67 35.071 27.293 23.889 1.00 22.42 C ANISOU 516 CZ ARG H 67 3668 2985 1867 713 182 -27 C ATOM 517 NH1 ARG H 67 34.247 28.081 23.198 1.00 20.41 N ANISOU 517 NH1 ARG H 67 3262 2756 1735 616 257 -26 N ATOM 518 NH2 ARG H 67 36.363 27.262 23.590 1.00 23.05 N ANISOU 518 NH2 ARG H 67 3694 3092 1973 749 6 -94 N ATOM 0 H ARG H 67 31.575 22.056 25.146 1.00 30.44 H new ATOM 0 HA ARG H 67 29.568 23.778 24.716 1.00 31.62 H new ATOM 0 HB2 ARG H 67 30.722 25.700 24.824 1.00 39.94 H new ATOM 0 HB3 ARG H 67 31.119 24.921 26.115 1.00 39.94 H new ATOM 0 HG2 ARG H 67 33.177 24.377 25.203 0.62 32.21 H new ATOM 0 HG3 ARG H 67 32.779 25.027 23.843 0.62 32.21 H new ATOM 0 HD2 ARG H 67 32.709 27.177 24.906 0.51 19.30 H new ATOM 0 HD3 ARG H 67 33.141 26.517 26.251 0.51 19.30 H new ATOM 0 HE ARG H 67 35.190 26.075 25.325 1.00 25.70 H new ATOM 0 HH11 ARG H 67 33.410 28.107 23.395 1.00 20.41 H new ATOM 0 HH12 ARG H 67 34.552 28.564 22.555 1.00 20.41 H new ATOM 0 HH21 ARG H 67 36.896 26.759 24.039 1.00 23.05 H new ATOM 0 HH22 ARG H 67 36.667 27.745 22.947 1.00 23.05 H new ATOM 519 N VAL H 68 31.134 22.322 22.624 1.00 24.11 N ANISOU 519 N VAL H 68 3887 2897 2376 381 971 248 N ATOM 520 CA VAL H 68 31.058 21.987 21.194 1.00 20.28 C ANISOU 520 CA VAL H 68 3184 2459 2064 281 891 206 C ATOM 521 C VAL H 68 30.026 20.890 20.972 1.00 23.53 C ANISOU 521 C VAL H 68 3548 2770 2623 182 1091 204 C ATOM 522 O VAL H 68 29.918 19.954 21.774 1.00 27.64 O ANISOU 522 O VAL H 68 4253 3166 3084 199 1267 265 O ATOM 523 CB VAL H 68 32.398 21.496 20.611 1.00 24.70 C ANISOU 523 CB VAL H 68 3763 3054 2568 324 709 214 C ATOM 524 CG1 VAL H 68 32.314 21.379 19.093 1.00 27.02 C ANISOU 524 CG1 VAL H 68 3849 3402 3016 240 623 166 C ATOM 525 CG2 VAL H 68 33.495 22.435 20.942 1.00 32.18 C ANISOU 525 CG2 VAL H 68 4750 4073 3404 418 534 192 C ATOM 0 H VAL H 68 31.463 21.701 23.120 1.00 24.11 H new ATOM 0 HA VAL H 68 30.812 22.808 20.740 1.00 20.28 H new ATOM 0 HB VAL H 68 32.580 20.627 21.002 1.00 24.70 H new ATOM 0 HG11 VAL H 68 33.165 21.069 18.745 1.00 27.02 H new ATOM 0 HG12 VAL H 68 31.618 20.747 18.855 1.00 27.02 H new ATOM 0 HG13 VAL H 68 32.106 22.247 18.712 1.00 27.02 H new ATOM 0 HG21 VAL H 68 34.327 22.107 20.566 1.00 32.18 H new ATOM 0 HG22 VAL H 68 33.296 23.309 20.572 1.00 32.18 H new ATOM 0 HG23 VAL H 68 33.582 22.505 21.906 1.00 32.18 H new ATOM 526 N THR H 69 29.267 21.004 19.885 1.00 20.60 N ANISOU 526 N THR H 69 2938 2440 2449 88 1066 124 N ATOM 527 CA THR H 69 28.338 19.956 19.479 1.00 21.77 C ANISOU 527 CA THR H 69 2984 2498 2789 -18 1216 76 C ATOM 528 C THR H 69 28.566 19.677 18.007 1.00 19.60 C ANISOU 528 C THR H 69 2539 2294 2614 -53 1033 8 C ATOM 529 O THR H 69 28.541 20.596 17.181 1.00 18.72 O ANISOU 529 O THR H 69 2292 2292 2528 -32 866 -48 O ATOM 530 CB THR H 69 26.877 20.373 19.703 1.00 22.94 C ANISOU 530 CB THR H 69 2982 2612 3121 -88 1384 -3 C ATOM 531 OG1 THR H 69 26.678 20.680 21.089 1.00 29.80 O ANISOU 531 OG1 THR H 69 4036 3408 3877 -44 1575 67 O ATOM 532 CG2 THR H 69 25.929 19.249 19.312 1.00 29.97 C ANISOU 532 CG2 THR H 69 3737 3393 4258 -208 1549 -87 C ATOM 0 H THR H 69 29.277 21.689 19.365 1.00 20.60 H new ATOM 0 HA THR H 69 28.499 19.164 20.016 1.00 21.77 H new ATOM 0 HB THR H 69 26.692 21.150 19.153 1.00 22.94 H new ATOM 0 HG1 THR H 69 26.217 21.379 21.158 1.00 29.80 H new ATOM 0 HG21 THR H 69 25.013 19.532 19.461 1.00 29.97 H new ATOM 0 HG22 THR H 69 26.052 19.033 18.374 1.00 29.97 H new ATOM 0 HG23 THR H 69 26.117 18.465 19.851 1.00 29.97 H new ATOM 533 N ILE H 70 28.823 18.418 17.681 1.00 19.94 N ANISOU 533 N ILE H 70 2619 2263 2696 -91 1069 16 N ATOM 534 CA ILE H 70 29.030 18.001 16.301 1.00 18.93 C ANISOU 534 CA ILE H 70 2357 2184 2652 -118 910 -53 C ATOM 535 C ILE H 70 27.868 17.093 15.896 1.00 24.05 C ANISOU 535 C ILE H 70 2853 2742 3544 -229 1035 -165 C ATOM 536 O ILE H 70 27.509 16.160 16.624 1.00 25.79 O ANISOU 536 O ILE H 70 3154 2817 3828 -290 1263 -140 O ATOM 537 CB ILE H 70 30.389 17.303 16.132 1.00 18.41 C ANISOU 537 CB ILE H 70 2439 2112 2445 -65 821 26 C ATOM 538 CG1 ILE H 70 31.525 18.298 16.383 1.00 21.42 C ANISOU 538 CG1 ILE H 70 2906 2587 2646 38 674 87 C ATOM 539 CG2 ILE H 70 30.524 16.688 14.744 1.00 22.67 C ANISOU 539 CG2 ILE H 70 2864 2675 3074 -95 699 -45 C ATOM 540 CD1 ILE H 70 32.896 17.653 16.535 1.00 23.21 C ANISOU 540 CD1 ILE H 70 3280 2797 2741 108 602 153 C ATOM 0 H ILE H 70 28.883 17.780 18.254 1.00 19.94 H new ATOM 0 HA ILE H 70 29.048 18.776 15.718 1.00 18.93 H new ATOM 0 HB ILE H 70 30.444 16.586 16.783 1.00 18.41 H new ATOM 0 HG12 ILE H 70 31.556 18.931 15.648 1.00 21.42 H new ATOM 0 HG13 ILE H 70 31.326 18.805 17.186 1.00 21.42 H new ATOM 0 HG21 ILE H 70 31.388 16.255 14.664 1.00 22.67 H new ATOM 0 HG22 ILE H 70 29.821 16.033 14.610 1.00 22.67 H new ATOM 0 HG23 ILE H 70 30.448 17.384 14.073 1.00 22.67 H new ATOM 0 HD11 ILE H 70 33.562 18.341 16.691 1.00 23.21 H new ATOM 0 HD12 ILE H 70 32.884 17.039 17.286 1.00 23.21 H new ATOM 0 HD13 ILE H 70 33.117 17.167 15.725 1.00 23.21 H new ATOM 541 N THR H 71 27.246 17.407 14.763 1.00 23.65 N ANISOU 541 N THR H 71 2586 2765 3636 -246 894 -300 N ATOM 542 CA THR H 71 26.074 16.684 14.284 1.00 25.41 C ANISOU 542 CA THR H 71 2608 2916 4129 -344 966 -460 C ATOM 543 C THR H 71 26.225 16.414 12.799 1.00 25.96 C ANISOU 543 C THR H 71 2566 3056 4241 -316 732 -568 C ATOM 544 O THR H 71 27.132 16.941 12.149 1.00 22.74 O ANISOU 544 O THR H 71 2237 2751 3653 -220 542 -510 O ATOM 545 CB THR H 71 24.774 17.479 14.509 1.00 27.96 C ANISOU 545 CB THR H 71 2736 3255 4630 -369 1025 -579 C ATOM 546 OG1 THR H 71 24.891 18.779 13.916 1.00 27.55 O ANISOU 546 OG1 THR H 71 2635 3355 4476 -261 799 -595 O ATOM 547 CG2 THR H 71 24.492 17.643 15.994 1.00 28.32 C ANISOU 547 CG2 THR H 71 2901 3207 4652 -401 1299 -484 C ATOM 0 H THR H 71 27.494 18.050 14.248 1.00 23.65 H new ATOM 0 HA THR H 71 26.015 15.856 14.785 1.00 25.41 H new ATOM 0 HB THR H 71 24.045 16.988 14.098 1.00 27.96 H new ATOM 0 HG1 THR H 71 24.126 19.074 13.734 1.00 27.55 H new ATOM 0 HG21 THR H 71 23.671 18.145 16.114 1.00 28.32 H new ATOM 0 HG22 THR H 71 24.399 16.769 16.404 1.00 28.32 H new ATOM 0 HG23 THR H 71 25.226 18.120 16.412 1.00 28.32 H new ATOM 548 N ALA H 72 25.336 15.590 12.261 1.00 28.97 N ANISOU 548 N ALA H 72 2770 3370 4868 -396 758 -736 N ATOM 549 CA ALA H 72 25.367 15.285 10.840 1.00 31.99 C ANISOU 549 CA ALA H 72 3053 3811 5290 -353 525 -866 C ATOM 550 C ALA H 72 23.961 15.021 10.324 1.00 41.15 C ANISOU 550 C ALA H 72 3930 4942 6764 -408 496 -1123 C ATOM 551 O ALA H 72 23.125 14.450 11.030 1.00 42.21 O ANISOU 551 O ALA H 72 3951 4948 7140 -536 727 -1199 O ATOM 552 CB ALA H 72 26.263 14.094 10.576 1.00 31.35 C ANISOU 552 CB ALA H 72 3108 3659 5143 -381 545 -802 C ATOM 0 H ALA H 72 24.709 15.199 12.700 1.00 28.97 H new ATOM 0 HA ALA H 72 25.728 16.051 10.367 1.00 31.99 H new ATOM 0 HB1 ALA H 72 26.274 13.902 9.625 1.00 31.35 H new ATOM 0 HB2 ALA H 72 27.164 14.294 10.876 1.00 31.35 H new ATOM 0 HB3 ALA H 72 25.926 13.322 11.057 1.00 31.35 H new ATOM 553 N ASP H 73 23.702 15.450 9.095 1.00 34.59 N ANISOU 553 N ASP H 73 2989 4219 5935 -300 218 -1268 N ATOM 554 CA ASP H 73 22.422 15.200 8.451 1.00 36.25 C ANISOU 554 CA ASP H 73 2914 4418 6443 -317 117 -1555 C ATOM 555 C ASP H 73 22.652 14.375 7.190 1.00 44.72 C ANISOU 555 C ASP H 73 3973 5496 7523 -272 -88 -1684 C ATOM 556 O ASP H 73 23.077 14.900 6.159 1.00 46.23 O ANISOU 556 O ASP H 73 4251 5800 7514 -107 -348 -1689 O ATOM 557 CB ASP H 73 21.715 16.516 8.122 1.00 45.04 C ANISOU 557 CB ASP H 73 3903 5654 7556 -184 -65 -1654 C ATOM 558 CG ASP H 73 20.400 16.307 7.393 1.00 55.31 C ANISOU 558 CG ASP H 73 5034 6925 9058 -134 -200 -1915 C ATOM 559 OD1 ASP H 73 19.797 15.221 7.539 1.00 57.74 O ANISOU 559 OD1 ASP H 73 5243 7100 9595 -248 -65 -2034 O ATOM 560 OD2 ASP H 73 19.968 17.234 6.678 1.00 60.59 O ANISOU 560 OD2 ASP H 73 5692 7688 9640 34 -428 -1997 O ATOM 0 H ASP H 73 24.261 15.892 8.614 1.00 34.59 H new ATOM 0 HA ASP H 73 21.848 14.705 9.056 1.00 36.25 H new ATOM 0 HB2 ASP H 73 21.551 17.005 8.943 1.00 45.04 H new ATOM 0 HB3 ASP H 73 22.299 17.065 7.576 1.00 45.04 H new ATOM 561 N GLU H 74 22.369 13.079 7.295 1.00 43.46 N ANISOU 561 N GLU H 74 3726 5198 7591 -416 51 -1786 N ATOM 562 CA GLU H 74 22.637 12.105 6.241 1.00 49.29 C ANISOU 562 CA GLU H 74 4480 5911 8338 -392 -98 -1894 C ATOM 563 C GLU H 74 21.891 12.428 4.946 1.00 48.42 C ANISOU 563 C GLU H 74 4280 5890 8227 -206 -401 -2101 C ATOM 564 O GLU H 74 22.383 12.153 3.850 1.00 54.48 O ANISOU 564 O GLU H 74 5136 6707 8857 -95 -611 -2141 O ATOM 565 CB GLU H 74 22.248 10.709 6.742 1.00 56.47 C ANISOU 565 CB GLU H 74 5346 6631 9478 -553 164 -1939 C ATOM 566 CG GLU H 74 22.631 9.553 5.832 1.00 63.28 C ANISOU 566 CG GLU H 74 6246 7446 10352 -551 70 -2019 C ATOM 567 CD GLU H 74 22.285 8.206 6.444 1.00 72.36 C ANISOU 567 CD GLU H 74 7373 8401 11720 -706 365 -2036 C ATOM 568 OE1 GLU H 74 23.042 7.740 7.324 1.00 73.40 O ANISOU 568 OE1 GLU H 74 7680 8424 11784 -812 607 -1842 O ATOM 569 OE2 GLU H 74 21.253 7.619 6.051 1.00 75.58 O ANISOU 569 OE2 GLU H 74 7601 8755 12361 -706 362 -2246 O ATOM 0 H GLU H 74 22.008 12.735 7.996 1.00 43.46 H new ATOM 0 HA GLU H 74 23.584 12.138 6.034 1.00 49.29 H new ATOM 0 HB2 GLU H 74 22.660 10.568 7.608 1.00 56.47 H new ATOM 0 HB3 GLU H 74 21.288 10.688 6.878 1.00 56.47 H new ATOM 0 HG2 GLU H 74 22.174 9.647 4.981 1.00 63.28 H new ATOM 0 HG3 GLU H 74 23.583 9.589 5.649 1.00 63.28 H new ATOM 570 N SER H 75 20.707 13.019 5.083 1.00 52.28 N ANISOU 570 N SER H 75 4620 6387 8856 -161 -413 -2230 N ATOM 571 CA SER H 75 19.854 13.320 3.934 1.00 58.82 C ANISOU 571 CA SER H 75 5367 7272 9710 24 -681 -2447 C ATOM 572 C SER H 75 20.475 14.358 2.997 1.00 60.41 C ANISOU 572 C SER H 75 5748 7620 9586 245 -954 -2375 C ATOM 573 O SER H 75 20.245 14.329 1.785 1.00 60.65 O ANISOU 573 O SER H 75 5815 7686 9544 424 -1187 -2506 O ATOM 574 CB SER H 75 18.470 13.787 4.399 1.00 60.11 C ANISOU 574 CB SER H 75 5341 7394 10103 16 -619 -2604 C ATOM 575 OG SER H 75 18.538 15.032 5.074 1.00 64.04 O ANISOU 575 OG SER H 75 5891 7962 10478 37 -583 -2468 O ATOM 0 H SER H 75 20.376 13.256 5.840 1.00 52.28 H new ATOM 0 HA SER H 75 19.763 12.497 3.429 1.00 58.82 H new ATOM 0 HB2 SER H 75 17.880 13.865 3.633 1.00 60.11 H new ATOM 0 HB3 SER H 75 18.084 13.120 4.988 1.00 60.11 H new ATOM 0 HG SER H 75 18.871 14.919 5.837 1.00 64.04 H new ATOM 576 N THR H 76 21.265 15.266 3.567 1.00 50.72 N ANISOU 576 N THR H 76 4646 6465 8160 244 -907 -2164 N ATOM 577 CA THR H 76 21.901 16.335 2.804 1.00 48.79 C ANISOU 577 CA THR H 76 4603 6337 7598 452 -1108 -2065 C ATOM 578 C THR H 76 23.420 16.185 2.744 1.00 37.21 C ANISOU 578 C THR H 76 3335 4904 5899 439 -1095 -1867 C ATOM 579 O THR H 76 24.109 17.068 2.232 1.00 46.80 O ANISOU 579 O THR H 76 4748 6194 6838 598 -1203 -1748 O ATOM 580 CB THR H 76 21.553 17.730 3.382 1.00 52.87 C ANISOU 580 CB THR H 76 5117 6916 8054 507 -1088 -1994 C ATOM 581 OG1 THR H 76 22.030 17.835 4.731 1.00 49.81 O ANISOU 581 OG1 THR H 76 4694 6518 7715 338 -852 -1829 O ATOM 582 CG2 THR H 76 20.053 17.954 3.366 1.00 56.24 C ANISOU 582 CG2 THR H 76 5362 7310 8697 536 -1125 -2207 C ATOM 0 H THR H 76 21.447 15.279 4.408 1.00 50.72 H new ATOM 0 HA THR H 76 21.550 16.262 1.903 1.00 48.79 H new ATOM 0 HB THR H 76 21.981 18.403 2.830 1.00 52.87 H new ATOM 0 HG1 THR H 76 21.406 17.655 5.264 1.00 49.81 H new ATOM 0 HG21 THR H 76 19.853 18.830 3.730 1.00 56.24 H new ATOM 0 HG22 THR H 76 19.727 17.902 2.454 1.00 56.24 H new ATOM 0 HG23 THR H 76 19.618 17.274 3.904 1.00 56.24 H new ATOM 583 N SER H 77 23.929 15.064 3.257 1.00 33.80 N ANISOU 583 N SER H 77 2895 4386 5562 260 -925 -1815 N ATOM 584 CA ASER H 77 25.366 14.801 3.321 0.50 33.08 C ANISOU 584 CA ASER H 77 3065 4275 5229 244 -820 -1569 C ATOM 585 CA BSER H 77 25.369 14.808 3.309 0.50 33.08 C ANISOU 585 CA BSER H 77 3067 4277 5227 246 -823 -1569 C ATOM 586 C SER H 77 26.142 15.968 3.934 1.00 32.77 C ANISOU 586 C SER H 77 3193 4291 4968 285 -727 -1325 C ATOM 587 O SER H 77 27.212 16.338 3.451 1.00 31.94 O ANISOU 587 O SER H 77 3298 4217 4620 379 -761 -1181 O ATOM 588 CB ASER H 77 25.925 14.447 1.938 0.50 40.10 C ANISOU 588 CB ASER H 77 4100 5189 5948 389 -1020 -1619 C ATOM 589 CB BSER H 77 25.929 14.506 1.914 0.50 39.78 C ANISOU 589 CB BSER H 77 4064 5153 5898 397 -1027 -1617 C ATOM 590 OG ASER H 77 25.845 15.550 1.055 0.50 47.59 O ANISOU 590 OG ASER H 77 5149 6233 6701 611 -1227 -1643 O ATOM 591 OG BSER H 77 25.397 13.300 1.396 0.50 34.64 O ANISOU 591 OG BSER H 77 3280 4439 5443 347 -1103 -1834 O ATOM 0 H ASER H 77 23.445 14.430 3.580 0.50 33.80 H new ATOM 0 H BSER H 77 23.449 14.430 3.585 0.50 33.80 H new ATOM 0 HA ASER H 77 25.485 14.037 3.906 0.50 33.08 H new ATOM 0 HA BSER H 77 25.488 14.029 3.875 0.50 33.08 H new ATOM 0 HB2ASER H 77 26.849 14.164 2.023 0.50 39.78 H new ATOM 0 HB2BSER H 77 25.720 15.239 1.314 0.50 39.78 H new ATOM 0 HB3ASER H 77 25.431 13.698 1.569 0.50 39.78 H new ATOM 0 HB3BSER H 77 26.896 14.443 1.958 0.50 39.78 H new ATOM 0 HG ASER H 77 25.489 16.200 1.450 0.50 34.64 H new ATOM 0 HG BSER H 77 25.717 13.158 0.632 0.50 34.64 H new ATOM 592 N THR H 78 25.600 16.531 5.009 1.00 29.19 N ANISOU 592 N THR H 78 2639 3836 4618 210 -595 -1292 N ATOM 593 CA THR H 78 26.221 17.681 5.664 1.00 25.95 C ANISOU 593 CA THR H 78 2362 3472 4027 244 -514 -1093 C ATOM 594 C THR H 78 26.545 17.394 7.130 1.00 27.87 C ANISOU 594 C THR H 78 2629 3646 4312 90 -258 -948 C ATOM 595 O THR H 78 25.735 16.804 7.849 1.00 31.09 O ANISOU 595 O THR H 78 2898 3980 4935 -31 -118 -1025 O ATOM 596 CB THR H 78 25.314 18.920 5.567 1.00 28.75 C ANISOU 596 CB THR H 78 2622 3900 4402 352 -620 -1178 C ATOM 597 OG1 THR H 78 24.974 19.152 4.194 1.00 34.92 O ANISOU 597 OG1 THR H 78 3412 4736 5119 534 -878 -1324 O ATOM 598 CG2 THR H 78 26.011 20.153 6.119 1.00 27.42 C ANISOU 598 CG2 THR H 78 2606 3771 4041 397 -548 -983 C ATOM 0 H THR H 78 24.871 16.262 5.377 1.00 29.19 H new ATOM 0 HA THR H 78 27.054 17.857 5.199 1.00 25.95 H new ATOM 0 HB THR H 78 24.515 18.755 6.091 1.00 28.75 H new ATOM 0 HG1 THR H 78 24.477 19.827 4.138 1.00 34.92 H new ATOM 0 HG21 THR H 78 25.420 20.919 6.047 1.00 27.42 H new ATOM 0 HG22 THR H 78 26.238 20.007 7.051 1.00 27.42 H new ATOM 0 HG23 THR H 78 26.821 20.321 5.612 1.00 27.42 H new ATOM 599 N ALA H 79 27.738 17.801 7.554 1.00 21.75 N ANISOU 599 N ALA H 79 2041 2885 3338 107 -193 -750 N ATOM 600 CA ALA H 79 28.131 17.720 8.960 1.00 20.71 C ANISOU 600 CA ALA H 79 1975 2701 3190 14 10 -611 C ATOM 601 C ALA H 79 28.216 19.132 9.516 1.00 20.80 C ANISOU 601 C ALA H 79 2027 2777 3100 70 17 -531 C ATOM 602 O ALA H 79 28.454 20.091 8.769 1.00 19.53 O ANISOU 602 O ALA H 79 1904 2687 2829 180 -114 -526 O ATOM 603 CB ALA H 79 29.459 17.014 9.110 1.00 19.63 C ANISOU 603 CB ALA H 79 2005 2526 2927 -1 58 -479 C ATOM 0 H ALA H 79 28.341 18.131 7.038 1.00 21.75 H new ATOM 0 HA ALA H 79 27.471 17.207 9.452 1.00 20.71 H new ATOM 0 HB1 ALA H 79 29.699 16.972 10.049 1.00 19.63 H new ATOM 0 HB2 ALA H 79 29.389 16.114 8.754 1.00 19.63 H new ATOM 0 HB3 ALA H 79 30.142 17.502 8.624 1.00 19.63 H new ATOM 604 N TYR H 80 28.018 19.267 10.824 1.00 18.23 N ANISOU 604 N TYR H 80 1713 2412 2803 3 182 -467 N ATOM 605 CA TYR H 80 28.000 20.578 11.458 1.00 17.04 C ANISOU 605 CA TYR H 80 1591 2311 2571 49 199 -408 C ATOM 606 C TYR H 80 28.828 20.582 12.724 1.00 18.36 C ANISOU 606 C TYR H 80 1910 2441 2625 23 329 -267 C ATOM 607 O TYR H 80 28.928 19.567 13.419 1.00 19.98 O ANISOU 607 O TYR H 80 2175 2562 2854 -41 461 -229 O ATOM 608 CB TYR H 80 26.573 20.981 11.836 1.00 20.00 C ANISOU 608 CB TYR H 80 1801 2683 3116 23 258 -518 C ATOM 609 CG TYR H 80 25.585 21.017 10.694 1.00 22.16 C ANISOU 609 CG TYR H 80 1895 2995 3529 72 102 -700 C ATOM 610 CD1 TYR H 80 24.862 19.884 10.343 1.00 25.07 C ANISOU 610 CD1 TYR H 80 2116 3306 4104 -1 116 -846 C ATOM 611 CD2 TYR H 80 25.355 22.190 9.985 1.00 25.08 C ANISOU 611 CD2 TYR H 80 2249 3451 3830 205 -62 -741 C ATOM 612 CE1 TYR H 80 23.950 19.913 9.305 1.00 30.47 C ANISOU 612 CE1 TYR H 80 2623 4029 4924 64 -63 -1049 C ATOM 613 CE2 TYR H 80 24.443 22.229 8.946 1.00 28.62 C ANISOU 613 CE2 TYR H 80 2553 3938 4385 290 -238 -924 C ATOM 614 CZ TYR H 80 23.745 21.088 8.613 1.00 27.67 C ANISOU 614 CZ TYR H 80 2269 3772 4473 222 -253 -1087 C ATOM 615 OH TYR H 80 22.839 21.119 7.579 1.00 37.72 O ANISOU 615 OH TYR H 80 3386 5086 5861 325 -463 -1303 O ATOM 0 H TYR H 80 27.892 18.608 11.363 1.00 18.23 H new ATOM 0 HA TYR H 80 28.369 21.205 10.817 1.00 17.04 H new ATOM 0 HB2 TYR H 80 26.246 20.362 12.507 1.00 20.00 H new ATOM 0 HB3 TYR H 80 26.600 21.859 12.248 1.00 20.00 H new ATOM 0 HD1 TYR H 80 24.994 19.093 10.814 1.00 25.07 H new ATOM 0 HD2 TYR H 80 25.822 22.961 10.213 1.00 25.08 H new ATOM 0 HE1 TYR H 80 23.478 19.146 9.075 1.00 30.47 H new ATOM 0 HE2 TYR H 80 24.302 23.019 8.476 1.00 28.62 H new ATOM 0 HH TYR H 80 22.815 21.892 7.250 1.00 37.72 H new ATOM 616 N MET H 81 29.418 21.734 13.015 1.00 16.63 N ANISOU 616 N MET H 81 1763 2275 2278 86 289 -199 N ATOM 617 CA AMET H 81 30.113 21.957 14.272 0.50 16.43 C ANISOU 617 CA AMET H 81 1872 2227 2145 88 375 -100 C ATOM 618 CA BMET H 81 30.106 21.958 14.278 0.50 16.39 C ANISOU 618 CA BMET H 81 1866 2222 2140 88 376 -100 C ATOM 619 C MET H 81 29.577 23.252 14.874 1.00 17.64 C ANISOU 619 C MET H 81 2003 2416 2285 118 401 -105 C ATOM 620 O MET H 81 29.683 24.318 14.257 1.00 17.28 O ANISOU 620 O MET H 81 1927 2429 2209 175 301 -122 O ATOM 621 CB AMET H 81 31.621 22.051 14.027 0.50 17.59 C ANISOU 621 CB AMET H 81 2123 2397 2165 137 283 -34 C ATOM 622 CB BMET H 81 31.619 22.062 14.078 0.50 17.98 C ANISOU 622 CB BMET H 81 2174 2444 2211 137 287 -33 C ATOM 623 CG AMET H 81 32.487 22.094 15.279 0.50 22.37 C ANISOU 623 CG AMET H 81 2863 2978 2659 164 324 37 C ATOM 624 CG BMET H 81 32.396 22.259 15.377 0.50 22.76 C ANISOU 624 CG BMET H 81 2910 3030 2707 166 330 35 C ATOM 625 SD AMET H 81 32.485 23.688 16.121 0.50 17.43 S ANISOU 625 SD AMET H 81 2260 2393 1970 210 320 41 S ATOM 626 SD BMET H 81 33.858 23.303 15.203 0.50 28.96 S ANISOU 626 SD BMET H 81 3732 3865 3407 231 209 50 S ATOM 627 CE AMET H 81 33.096 24.781 14.841 0.50 27.96 C ANISOU 627 CE AMET H 81 3526 3783 3313 244 199 15 C ATOM 628 CE BMET H 81 33.099 24.897 14.883 0.50 24.75 C ANISOU 628 CE BMET H 81 3121 3380 2905 246 199 14 C ATOM 0 H AMET H 81 29.426 22.411 12.485 0.50 16.63 H new ATOM 0 H BMET H 81 29.431 22.410 12.484 0.50 16.63 H new ATOM 0 HA AMET H 81 29.962 21.221 14.885 0.50 16.39 H new ATOM 0 HA BMET H 81 29.941 21.209 14.871 0.50 16.39 H new ATOM 0 HB2AMET H 81 31.894 21.291 13.490 0.50 17.98 H new ATOM 0 HB2BMET H 81 31.936 21.257 13.640 0.50 17.98 H new ATOM 0 HB3AMET H 81 31.799 22.847 13.502 0.50 17.98 H new ATOM 0 HB3BMET H 81 31.808 22.803 13.481 0.50 17.98 H new ATOM 0 HG2AMET H 81 32.179 21.412 15.897 0.50 22.76 H new ATOM 0 HG2BMET H 81 31.806 22.651 16.040 0.50 22.76 H new ATOM 0 HG3AMET H 81 33.399 21.868 15.038 0.50 22.76 H new ATOM 0 HG3BMET H 81 32.667 21.392 15.716 0.50 22.76 H new ATOM 0 HE1AMET H 81 33.494 25.566 15.248 0.50 24.75 H new ATOM 0 HE1BMET H 81 33.327 25.190 13.987 0.50 24.75 H new ATOM 0 HE2AMET H 81 33.764 24.318 14.311 0.50 24.75 H new ATOM 0 HE2BMET H 81 32.135 24.818 14.962 0.50 24.75 H new ATOM 0 HE3AMET H 81 32.361 25.052 14.269 0.50 24.75 H new ATOM 0 HE3BMET H 81 33.424 25.545 15.527 0.50 24.75 H new ATOM 629 N GLU H 82 28.984 23.157 16.061 1.00 16.72 N ANISOU 629 N GLU H 82 1918 2248 2187 86 554 -90 N ATOM 630 CA GLU H 82 28.490 24.334 16.764 1.00 16.10 C ANISOU 630 CA GLU H 82 1835 2193 2089 116 597 -93 C ATOM 631 C GLU H 82 29.361 24.558 17.984 1.00 18.84 C ANISOU 631 C GLU H 82 2367 2518 2274 157 639 -9 C ATOM 632 O GLU H 82 29.471 23.678 18.840 1.00 19.24 O ANISOU 632 O GLU H 82 2541 2493 2277 147 756 39 O ATOM 633 CB GLU H 82 27.025 24.169 17.176 1.00 18.14 C ANISOU 633 CB GLU H 82 1981 2405 2508 62 753 -162 C ATOM 634 CG GLU H 82 26.467 25.414 17.873 1.00 21.75 C ANISOU 634 CG GLU H 82 2429 2886 2950 100 803 -171 C ATOM 635 CD GLU H 82 24.949 25.456 17.899 1.00 36.74 C ANISOU 635 CD GLU H 82 4146 4759 5057 58 917 -279 C ATOM 636 OE1 GLU H 82 24.388 26.560 17.745 1.00 45.01 O ANISOU 636 OE1 GLU H 82 5103 5860 6139 109 863 -331 O ATOM 637 OE2 GLU H 82 24.322 24.391 18.078 1.00 41.82 O ANISOU 637 OE2 GLU H 82 4728 5316 5845 -25 1067 -321 O ATOM 0 H GLU H 82 28.858 22.415 16.477 1.00 16.72 H new ATOM 0 HA GLU H 82 28.533 25.102 16.172 1.00 16.10 H new ATOM 0 HB2 GLU H 82 26.491 23.976 16.390 1.00 18.14 H new ATOM 0 HB3 GLU H 82 26.943 23.406 17.769 1.00 18.14 H new ATOM 0 HG2 GLU H 82 26.801 25.445 18.783 1.00 21.75 H new ATOM 0 HG3 GLU H 82 26.799 26.206 17.422 1.00 21.75 H new ATOM 638 N LEU H 83 30.007 25.716 18.045 1.00 17.63 N ANISOU 638 N LEU H 83 2245 2419 2035 215 541 0 N ATOM 639 CA LEU H 83 30.853 26.060 19.179 1.00 17.88 C ANISOU 639 CA LEU H 83 2433 2438 1924 271 538 42 C ATOM 640 C LEU H 83 30.179 27.203 19.909 1.00 19.06 C ANISOU 640 C LEU H 83 2587 2597 2059 296 599 23 C ATOM 641 O LEU H 83 29.982 28.282 19.333 1.00 19.98 O ANISOU 641 O LEU H 83 2610 2760 2221 307 536 -14 O ATOM 642 CB LEU H 83 32.263 26.447 18.699 1.00 17.96 C ANISOU 642 CB LEU H 83 2456 2486 1881 309 381 38 C ATOM 643 CG LEU H 83 33.313 26.845 19.743 1.00 18.56 C ANISOU 643 CG LEU H 83 2655 2558 1838 380 320 35 C ATOM 644 CD1 LEU H 83 33.530 25.753 20.760 1.00 24.37 C ANISOU 644 CD1 LEU H 83 3556 3238 2464 428 367 75 C ATOM 645 CD2 LEU H 83 34.631 27.212 19.068 1.00 22.31 C ANISOU 645 CD2 LEU H 83 3080 3059 2338 393 184 -2 C ATOM 0 H LEU H 83 29.968 26.321 17.435 1.00 17.63 H new ATOM 0 HA LEU H 83 30.961 25.304 19.777 1.00 17.88 H new ATOM 0 HB2 LEU H 83 32.618 25.698 18.195 1.00 17.96 H new ATOM 0 HB3 LEU H 83 32.170 27.187 18.079 1.00 17.96 H new ATOM 0 HG LEU H 83 32.975 27.623 20.213 1.00 18.56 H new ATOM 0 HD11 LEU H 83 34.198 26.038 21.403 1.00 24.37 H new ATOM 0 HD12 LEU H 83 32.696 25.569 21.221 1.00 24.37 H new ATOM 0 HD13 LEU H 83 33.835 24.949 20.312 1.00 24.37 H new ATOM 0 HD21 LEU H 83 35.282 27.461 19.743 1.00 22.31 H new ATOM 0 HD22 LEU H 83 34.961 26.450 18.566 1.00 22.31 H new ATOM 0 HD23 LEU H 83 34.489 27.959 18.465 1.00 22.31 H new ATOM 646 N SER H 84 29.786 26.960 21.154 1.00 19.12 N ANISOU 646 N SER H 84 2722 2547 1998 317 737 50 N ATOM 647 CA ASER H 84 29.095 27.986 21.922 0.50 20.02 C ANISOU 647 CA ASER H 84 2854 2659 2093 345 817 31 C ATOM 648 CA BSER H 84 29.082 27.948 21.958 0.50 20.85 C ANISOU 648 CA BSER H 84 2965 2762 2197 345 823 33 C ATOM 649 C SER H 84 30.045 28.682 22.883 1.00 20.75 C ANISOU 649 C SER H 84 3108 2758 2016 436 739 35 C ATOM 650 O SER H 84 31.204 28.295 23.015 1.00 19.74 O ANISOU 650 O SER H 84 3069 2634 1796 482 623 44 O ATOM 651 CB ASER H 84 27.901 27.399 22.672 0.50 26.73 C ANISOU 651 CB ASER H 84 3739 3426 2992 313 1056 44 C ATOM 652 CB BSER H 84 27.984 27.270 22.775 0.50 27.48 C ANISOU 652 CB BSER H 84 3860 3511 3069 317 1064 53 C ATOM 653 OG ASER H 84 28.305 26.370 23.553 0.50 27.90 O ANISOU 653 OG ASER H 84 4099 3489 3015 346 1156 110 O ATOM 654 OG BSER H 84 27.028 26.662 21.928 0.50 30.48 O ANISOU 654 OG BSER H 84 4053 3878 3652 225 1135 10 O ATOM 0 H ASER H 84 29.908 26.216 21.568 0.50 19.12 H new ATOM 0 H BSER H 84 29.922 26.213 21.557 0.50 19.12 H new ATOM 0 HA ASER H 84 28.761 28.648 21.297 0.50 20.85 H new ATOM 0 HA BSER H 84 28.680 28.598 21.360 0.50 20.85 H new ATOM 0 HB2ASER H 84 27.454 28.100 23.172 0.50 27.48 H new ATOM 0 HB2BSER H 84 28.376 26.602 23.359 0.50 27.48 H new ATOM 0 HB3ASER H 84 27.257 27.050 22.036 0.50 27.48 H new ATOM 0 HB3BSER H 84 27.548 27.924 23.344 0.50 27.48 H new ATOM 0 HG ASER H 84 28.208 25.625 23.177 0.50 30.48 H new ATOM 0 HG BSER H 84 27.261 25.872 21.765 0.50 30.48 H new ATOM 655 N SER H 85 29.549 29.736 23.513 1.00 17.77 N ANISOU 655 N SER H 85 2752 2385 1614 469 787 10 N ATOM 656 CA SER H 85 30.320 30.517 24.478 1.00 20.25 C ANISOU 656 CA SER H 85 3212 2703 1779 562 707 -15 C ATOM 657 C SER H 85 31.695 30.886 23.918 1.00 19.35 C ANISOU 657 C SER H 85 3050 2635 1667 576 495 -62 C ATOM 658 O SER H 85 32.719 30.578 24.526 1.00 19.35 O ANISOU 658 O SER H 85 3169 2627 1557 650 392 -83 O ATOM 659 CB SER H 85 30.457 29.751 25.798 1.00 22.22 C ANISOU 659 CB SER H 85 3714 2882 1847 650 794 26 C ATOM 660 OG SER H 85 30.874 30.612 26.850 1.00 24.47 O ANISOU 660 OG SER H 85 4149 3166 1983 759 733 -19 O ATOM 0 H SER H 85 28.747 30.024 23.394 1.00 17.77 H new ATOM 0 HA SER H 85 29.841 31.343 24.650 1.00 20.25 H new ATOM 0 HB2 SER H 85 29.608 29.343 26.028 1.00 22.22 H new ATOM 0 HB3 SER H 85 31.098 29.031 25.692 1.00 22.22 H new ATOM 0 HG SER H 85 30.304 31.220 26.957 1.00 24.47 H new ATOM 661 N LEU H 86 31.712 31.575 22.782 1.00 16.23 N ANISOU 661 N LEU H 86 2487 2278 1401 519 439 -87 N ATOM 662 CA LEU H 86 32.972 31.911 22.131 1.00 15.12 C ANISOU 662 CA LEU H 86 2288 2156 1301 515 293 -131 C ATOM 663 C LEU H 86 33.851 32.810 23.008 1.00 15.40 C ANISOU 663 C LEU H 86 2389 2182 1278 578 198 -216 C ATOM 664 O LEU H 86 33.369 33.615 23.808 1.00 16.34 O ANISOU 664 O LEU H 86 2570 2292 1346 617 238 -243 O ATOM 665 CB LEU H 86 32.721 32.569 20.772 1.00 15.70 C ANISOU 665 CB LEU H 86 2219 2245 1502 462 292 -131 C ATOM 666 CG LEU H 86 32.152 31.623 19.719 1.00 15.46 C ANISOU 666 CG LEU H 86 2112 2228 1534 417 322 -83 C ATOM 667 CD1 LEU H 86 31.598 32.415 18.548 1.00 17.72 C ANISOU 667 CD1 LEU H 86 2303 2527 1902 413 322 -89 C ATOM 668 CD2 LEU H 86 33.233 30.658 19.234 1.00 18.39 C ANISOU 668 CD2 LEU H 86 2486 2597 1905 402 248 -72 C ATOM 0 H LEU H 86 31.009 31.856 22.374 1.00 16.23 H new ATOM 0 HA LEU H 86 33.453 31.080 21.993 1.00 15.12 H new ATOM 0 HB2 LEU H 86 32.108 33.312 20.891 1.00 15.70 H new ATOM 0 HB3 LEU H 86 33.555 32.939 20.444 1.00 15.70 H new ATOM 0 HG LEU H 86 31.433 31.110 20.120 1.00 15.46 H new ATOM 0 HD11 LEU H 86 31.239 31.805 17.885 1.00 17.72 H new ATOM 0 HD12 LEU H 86 30.893 33.004 18.860 1.00 17.72 H new ATOM 0 HD13 LEU H 86 32.307 32.943 18.150 1.00 17.72 H new ATOM 0 HD21 LEU H 86 32.859 30.063 18.566 1.00 18.39 H new ATOM 0 HD22 LEU H 86 33.965 31.161 18.845 1.00 18.39 H new ATOM 0 HD23 LEU H 86 33.562 30.137 19.983 1.00 18.39 H new ATOM 669 N ARG H 87 35.158 32.662 22.834 1.00 17.01 N ANISOU 669 N ARG H 87 2566 2386 1509 591 69 -276 N ATOM 670 CA ARG H 87 36.129 33.467 23.564 1.00 17.54 C ANISOU 670 CA ARG H 87 2653 2441 1568 647 -52 -400 C ATOM 671 C ARG H 87 37.311 33.743 22.645 1.00 16.13 C ANISOU 671 C ARG H 87 2327 2249 1552 594 -129 -474 C ATOM 672 O ARG H 87 37.377 33.203 21.542 1.00 16.51 O ANISOU 672 O ARG H 87 2299 2299 1674 533 -87 -412 O ATOM 673 CB ARG H 87 36.566 32.750 24.836 1.00 23.87 C ANISOU 673 CB ARG H 87 3624 3243 2203 771 -146 -434 C ATOM 674 CG ARG H 87 37.154 31.379 24.548 1.00 25.98 C ANISOU 674 CG ARG H 87 3911 3515 2446 790 -199 -395 C ATOM 675 CD ARG H 87 36.865 30.392 25.660 1.00 30.60 C ANISOU 675 CD ARG H 87 4729 4077 2819 911 -182 -341 C ATOM 676 NE ARG H 87 35.430 30.251 25.868 1.00 28.99 N ANISOU 676 NE ARG H 87 4606 3848 2560 874 29 -226 N ATOM 677 CZ ARG H 87 34.889 29.774 26.983 1.00 26.31 C ANISOU 677 CZ ARG H 87 4499 3461 2038 972 123 -175 C ATOM 678 NH1 ARG H 87 35.667 29.389 27.983 1.00 38.17 N ANISOU 678 NH1 ARG H 87 6189 4937 3376 1128 -2 -217 N ATOM 679 NH2 ARG H 87 33.573 29.691 27.105 1.00 28.71 N ANISOU 679 NH2 ARG H 87 4838 3730 2343 919 346 -89 N ATOM 0 H ARG H 87 35.507 32.094 22.291 1.00 17.01 H new ATOM 0 HA ARG H 87 35.732 34.310 23.834 1.00 17.54 H new ATOM 0 HB2 ARG H 87 37.223 33.291 25.301 1.00 23.87 H new ATOM 0 HB3 ARG H 87 35.805 32.656 25.430 1.00 23.87 H new ATOM 0 HG2 ARG H 87 36.791 31.041 23.714 1.00 25.98 H new ATOM 0 HG3 ARG H 87 38.113 31.458 24.428 1.00 25.98 H new ATOM 0 HD2 ARG H 87 37.250 29.529 25.440 1.00 30.60 H new ATOM 0 HD3 ARG H 87 37.287 30.691 26.481 1.00 30.60 H new ATOM 0 HE ARG H 87 34.903 30.490 25.232 1.00 28.99 H new ATOM 0 HH11 ARG H 87 36.522 29.448 27.910 1.00 38.17 H new ATOM 0 HH12 ARG H 87 35.317 29.080 28.705 1.00 38.17 H new ATOM 0 HH21 ARG H 87 33.064 29.947 26.460 1.00 28.71 H new ATOM 0 HH22 ARG H 87 33.227 29.381 27.829 1.00 28.71 H new ATOM 680 N SER H 88 38.231 34.588 23.108 1.00 18.55 N ANISOU 680 N SER H 88 2592 2531 1924 619 -228 -619 N ATOM 681 CA SER H 88 39.340 35.066 22.288 1.00 20.21 C ANISOU 681 CA SER H 88 2643 2698 2336 553 -254 -715 C ATOM 682 C SER H 88 40.112 33.936 21.616 1.00 20.08 C ANISOU 682 C SER H 88 2567 2692 2371 539 -296 -698 C ATOM 683 O SER H 88 40.419 34.004 20.423 1.00 20.64 O ANISOU 683 O SER H 88 2538 2728 2576 458 -212 -670 O ATOM 684 CB SER H 88 40.289 35.932 23.118 1.00 22.43 C ANISOU 684 CB SER H 88 2877 2947 2699 593 -380 -916 C ATOM 685 OG SER H 88 41.364 36.394 22.321 1.00 30.88 O ANISOU 685 OG SER H 88 3772 3953 4009 512 -366 -1024 O ATOM 0 H SER H 88 38.228 34.900 23.909 1.00 18.55 H new ATOM 0 HA SER H 88 38.949 35.602 21.580 1.00 20.21 H new ATOM 0 HB2 SER H 88 39.806 36.687 23.488 1.00 22.43 H new ATOM 0 HB3 SER H 88 40.631 35.420 23.867 1.00 22.43 H new ATOM 0 HG SER H 88 41.340 37.232 22.276 1.00 30.88 H new ATOM 686 N GLU H 89 40.399 32.871 22.360 1.00 20.94 N ANISOU 686 N GLU H 89 2761 2838 2358 632 -414 -706 N ATOM 687 CA GLU H 89 41.203 31.786 21.808 1.00 24.05 C ANISOU 687 CA GLU H 89 3100 3237 2799 634 -468 -703 C ATOM 688 C GLU H 89 40.481 30.962 20.742 1.00 19.87 C ANISOU 688 C GLU H 89 2583 2719 2250 565 -337 -536 C ATOM 689 O GLU H 89 41.078 30.068 20.136 1.00 21.71 O ANISOU 689 O GLU H 89 2772 2950 2527 556 -359 -522 O ATOM 690 CB GLU H 89 41.734 30.883 22.920 1.00 31.41 C ANISOU 690 CB GLU H 89 4146 4196 3592 781 -641 -762 C ATOM 691 CG GLU H 89 40.660 30.275 23.794 1.00 46.90 C ANISOU 691 CG GLU H 89 6336 6173 5309 862 -595 -640 C ATOM 692 CD GLU H 89 41.244 29.410 24.895 1.00 62.89 C ANISOU 692 CD GLU H 89 8528 8203 7165 1042 -759 -692 C ATOM 693 OE1 GLU H 89 42.409 29.652 25.280 1.00 72.75 O ANISOU 693 OE1 GLU H 89 9709 9457 8477 1129 -958 -871 O ATOM 694 OE2 GLU H 89 40.546 28.485 25.368 1.00 55.67 O ANISOU 694 OE2 GLU H 89 7816 7274 6062 1106 -684 -564 O ATOM 0 H GLU H 89 40.143 32.758 23.173 1.00 20.94 H new ATOM 0 HA GLU H 89 41.949 32.212 21.357 1.00 24.05 H new ATOM 0 HB2 GLU H 89 42.255 30.168 22.521 1.00 31.41 H new ATOM 0 HB3 GLU H 89 42.338 31.397 23.478 1.00 31.41 H new ATOM 0 HG2 GLU H 89 40.127 30.983 24.189 1.00 46.90 H new ATOM 0 HG3 GLU H 89 40.063 29.741 23.247 1.00 46.90 H new ATOM 695 N ASP H 90 39.207 31.256 20.491 1.00 16.43 N ANISOU 695 N ASP H 90 2194 2290 1757 522 -210 -427 N ATOM 696 CA ASP H 90 38.472 30.527 19.460 1.00 16.36 C ANISOU 696 CA ASP H 90 2179 2292 1746 466 -111 -303 C ATOM 697 C ASP H 90 38.656 31.098 18.055 1.00 15.90 C ANISOU 697 C ASP H 90 2020 2202 1817 395 -37 -292 C ATOM 698 O ASP H 90 38.199 30.501 17.077 1.00 17.27 O ANISOU 698 O ASP H 90 2189 2383 1989 367 17 -213 O ATOM 699 CB ASP H 90 36.974 30.456 19.786 1.00 16.24 C ANISOU 699 CB ASP H 90 2240 2295 1634 465 -18 -215 C ATOM 700 CG ASP H 90 36.681 29.689 21.057 1.00 19.15 C ANISOU 700 CG ASP H 90 2752 2666 1857 537 -30 -194 C ATOM 701 OD1 ASP H 90 37.410 28.725 21.390 1.00 19.53 O ANISOU 701 OD1 ASP H 90 2862 2708 1852 591 -104 -201 O ATOM 702 OD2 ASP H 90 35.704 30.052 21.739 1.00 18.99 O ANISOU 702 OD2 ASP H 90 2803 2644 1770 553 49 -168 O ATOM 0 H ASP H 90 38.756 31.864 20.899 1.00 16.43 H new ATOM 0 HA ASP H 90 38.853 29.635 19.462 1.00 16.36 H new ATOM 0 HB2 ASP H 90 36.623 31.357 19.870 1.00 16.24 H new ATOM 0 HB3 ASP H 90 36.507 30.037 19.046 1.00 16.24 H new ATOM 703 N THR H 91 39.300 32.255 17.944 1.00 15.85 N ANISOU 703 N THR H 91 1950 2150 1921 374 -23 -376 N ATOM 704 CA THR H 91 39.585 32.808 16.622 1.00 14.91 C ANISOU 704 CA THR H 91 1778 1971 1916 322 84 -360 C ATOM 705 C THR H 91 40.510 31.841 15.887 1.00 16.16 C ANISOU 705 C THR H 91 1888 2115 2138 305 74 -363 C ATOM 706 O THR H 91 41.611 31.549 16.361 1.00 17.22 O ANISOU 706 O THR H 91 1953 2240 2350 315 -7 -465 O ATOM 707 CB THR H 91 40.242 34.191 16.709 1.00 16.76 C ANISOU 707 CB THR H 91 1956 2125 2287 293 135 -463 C ATOM 708 OG1 THR H 91 39.300 35.137 17.236 1.00 17.30 O ANISOU 708 OG1 THR H 91 2080 2198 2293 311 162 -448 O ATOM 709 CG2 THR H 91 40.705 34.660 15.328 1.00 18.53 C ANISOU 709 CG2 THR H 91 2158 2252 2629 246 288 -440 C ATOM 0 H THR H 91 39.576 32.729 18.607 1.00 15.85 H new ATOM 0 HA THR H 91 38.748 32.918 16.143 1.00 14.91 H new ATOM 0 HB THR H 91 41.014 34.128 17.293 1.00 16.76 H new ATOM 0 HG1 THR H 91 39.670 35.598 17.833 1.00 17.30 H new ATOM 0 HG21 THR H 91 41.117 35.535 15.404 1.00 18.53 H new ATOM 0 HG22 THR H 91 41.350 34.029 14.971 1.00 18.53 H new ATOM 0 HG23 THR H 91 39.942 34.713 14.732 1.00 18.53 H new ATOM 710 N ALA H 92 40.059 31.331 14.743 1.00 13.62 N ANISOU 710 N ALA H 92 1601 1792 1782 296 143 -266 N ATOM 711 CA ALA H 92 40.784 30.268 14.052 1.00 13.46 C ANISOU 711 CA ALA H 92 1555 1763 1795 288 136 -256 C ATOM 712 C ALA H 92 40.131 29.965 12.720 1.00 15.08 C ANISOU 712 C ALA H 92 1823 1959 1946 292 214 -160 C ATOM 713 O ALA H 92 39.007 30.392 12.450 1.00 14.21 O ANISOU 713 O ALA H 92 1770 1867 1762 314 238 -105 O ATOM 714 CB ALA H 92 40.803 28.989 14.923 1.00 14.20 C ANISOU 714 CB ALA H 92 1666 1921 1807 323 12 -255 C ATOM 0 H ALA H 92 39.337 31.586 14.351 1.00 13.62 H new ATOM 0 HA ALA H 92 41.694 30.565 13.897 1.00 13.46 H new ATOM 0 HB1 ALA H 92 41.286 28.288 14.458 1.00 14.20 H new ATOM 0 HB2 ALA H 92 41.242 29.178 15.767 1.00 14.20 H new ATOM 0 HB3 ALA H 92 39.893 28.698 15.091 1.00 14.20 H new ATOM 715 N VAL H 93 40.844 29.218 11.885 1.00 14.04 N ANISOU 715 N VAL H 93 1682 1799 1854 286 241 -152 N ATOM 716 CA VAL H 93 40.225 28.584 10.733 1.00 13.93 C ANISOU 716 CA VAL H 93 1742 1791 1759 312 269 -74 C ATOM 717 C VAL H 93 39.792 27.200 11.191 1.00 13.25 C ANISOU 717 C VAL H 93 1651 1775 1607 314 164 -54 C ATOM 718 O VAL H 93 40.589 26.462 11.790 1.00 15.47 O ANISOU 718 O VAL H 93 1893 2064 1922 307 109 -88 O ATOM 719 CB VAL H 93 41.199 28.488 9.551 1.00 14.77 C ANISOU 719 CB VAL H 93 1866 1815 1930 312 377 -74 C ATOM 720 CG1 VAL H 93 40.576 27.699 8.395 1.00 16.36 C ANISOU 720 CG1 VAL H 93 2164 2029 2024 360 375 -8 C ATOM 721 CG2 VAL H 93 41.590 29.888 9.085 1.00 18.07 C ANISOU 721 CG2 VAL H 93 2315 2128 2422 307 532 -88 C ATOM 0 H VAL H 93 41.686 29.067 11.969 1.00 14.04 H new ATOM 0 HA VAL H 93 39.470 29.106 10.418 1.00 13.93 H new ATOM 0 HB VAL H 93 41.995 28.017 9.844 1.00 14.77 H new ATOM 0 HG11 VAL H 93 41.207 27.650 7.659 1.00 16.36 H new ATOM 0 HG12 VAL H 93 40.359 26.802 8.695 1.00 16.36 H new ATOM 0 HG13 VAL H 93 39.767 28.144 8.098 1.00 16.36 H new ATOM 0 HG21 VAL H 93 42.205 29.821 8.338 1.00 18.07 H new ATOM 0 HG22 VAL H 93 40.796 30.370 8.806 1.00 18.07 H new ATOM 0 HG23 VAL H 93 42.018 30.364 9.814 1.00 18.07 H new ATOM 722 N TYR H 94 38.527 26.870 10.948 1.00 12.43 N ANISOU 722 N TYR H 94 1586 1713 1422 330 140 -11 N ATOM 723 CA TYR H 94 37.956 25.578 11.339 1.00 12.28 C ANISOU 723 CA TYR H 94 1566 1734 1365 318 81 5 C ATOM 724 C TYR H 94 37.817 24.707 10.107 1.00 13.17 C ANISOU 724 C TYR H 94 1705 1837 1462 331 77 20 C ATOM 725 O TYR H 94 37.195 25.111 9.125 1.00 14.36 O ANISOU 725 O TYR H 94 1890 1986 1582 370 85 24 O ATOM 726 CB TYR H 94 36.584 25.792 12.000 1.00 13.82 C ANISOU 726 CB TYR H 94 1755 1968 1526 314 74 12 C ATOM 727 CG TYR H 94 36.715 26.415 13.366 1.00 13.05 C ANISOU 727 CG TYR H 94 1660 1879 1420 310 74 -3 C ATOM 728 CD1 TYR H 94 37.001 27.769 13.513 1.00 13.87 C ANISOU 728 CD1 TYR H 94 1755 1969 1546 321 95 -28 C ATOM 729 CD2 TYR H 94 36.620 25.636 14.513 1.00 13.55 C ANISOU 729 CD2 TYR H 94 1757 1948 1444 308 61 5 C ATOM 730 CE1 TYR H 94 37.162 28.331 14.768 1.00 12.98 C ANISOU 730 CE1 TYR H 94 1648 1863 1421 328 78 -60 C ATOM 731 CE2 TYR H 94 36.781 26.191 15.771 1.00 13.30 C ANISOU 731 CE2 TYR H 94 1761 1920 1374 333 49 -16 C ATOM 732 CZ TYR H 94 37.047 27.535 15.885 1.00 13.22 C ANISOU 732 CZ TYR H 94 1722 1909 1391 342 46 -56 C ATOM 733 OH TYR H 94 37.218 28.055 17.144 1.00 15.63 O ANISOU 733 OH TYR H 94 2068 2217 1653 376 18 -93 O ATOM 0 H TYR H 94 37.970 27.390 10.549 1.00 12.43 H new ATOM 0 HA TYR H 94 38.540 25.140 11.978 1.00 12.28 H new ATOM 0 HB2 TYR H 94 36.038 26.361 11.435 1.00 13.82 H new ATOM 0 HB3 TYR H 94 36.124 24.941 12.075 1.00 13.82 H new ATOM 0 HD1 TYR H 94 37.085 28.304 12.757 1.00 13.87 H new ATOM 0 HD2 TYR H 94 36.445 24.726 14.434 1.00 13.55 H new ATOM 0 HE1 TYR H 94 37.346 29.238 14.856 1.00 12.98 H new ATOM 0 HE2 TYR H 94 36.710 25.660 16.531 1.00 13.30 H new ATOM 0 HH TYR H 94 37.667 28.764 17.096 1.00 15.63 H new ATOM 734 N TYR H 95 38.422 23.522 10.145 1.00 12.74 N ANISOU 734 N TYR H 95 1650 1773 1419 317 56 22 N ATOM 735 CA TYR H 95 38.368 22.577 9.029 1.00 14.09 C ANISOU 735 CA TYR H 95 1850 1929 1576 329 48 26 C ATOM 736 C TYR H 95 37.518 21.380 9.382 1.00 12.18 C ANISOU 736 C TYR H 95 1597 1699 1329 300 12 23 C ATOM 737 O TYR H 95 37.576 20.883 10.513 1.00 14.30 O ANISOU 737 O TYR H 95 1867 1965 1601 275 15 36 O ATOM 738 CB TYR H 95 39.764 22.036 8.710 1.00 14.45 C ANISOU 738 CB TYR H 95 1899 1935 1659 334 69 22 C ATOM 739 CG TYR H 95 40.749 23.047 8.192 1.00 13.09 C ANISOU 739 CG TYR H 95 1722 1715 1535 348 149 9 C ATOM 740 CD1 TYR H 95 40.752 23.411 6.852 1.00 13.96 C ANISOU 740 CD1 TYR H 95 1911 1781 1614 389 224 26 C ATOM 741 CD2 TYR H 95 41.701 23.617 9.033 1.00 15.42 C ANISOU 741 CD2 TYR H 95 1946 1995 1916 330 160 -32 C ATOM 742 CE1 TYR H 95 41.660 24.326 6.367 1.00 14.83 C ANISOU 742 CE1 TYR H 95 2037 1815 1781 396 351 20 C ATOM 743 CE2 TYR H 95 42.619 24.535 8.552 1.00 16.34 C ANISOU 743 CE2 TYR H 95 2038 2045 2126 324 265 -65 C ATOM 744 CZ TYR H 95 42.589 24.881 7.220 1.00 15.81 C ANISOU 744 CZ TYR H 95 2058 1917 2031 350 382 -29 C ATOM 745 OH TYR H 95 43.493 25.793 6.733 1.00 19.74 O ANISOU 745 OH TYR H 95 2551 2317 2632 340 538 -55 O ATOM 0 H TYR H 95 38.876 23.242 10.819 1.00 12.74 H new ATOM 0 HA TYR H 95 37.997 23.058 8.272 1.00 14.09 H new ATOM 0 HB2 TYR H 95 40.129 21.635 9.514 1.00 14.45 H new ATOM 0 HB3 TYR H 95 39.677 21.327 8.053 1.00 14.45 H new ATOM 0 HD1 TYR H 95 40.131 23.031 6.273 1.00 13.96 H new ATOM 0 HD2 TYR H 95 41.721 23.377 9.931 1.00 15.42 H new ATOM 0 HE1 TYR H 95 41.646 24.568 5.469 1.00 14.83 H new ATOM 0 HE2 TYR H 95 43.249 24.914 9.122 1.00 16.34 H new ATOM 0 HH TYR H 95 43.203 26.119 6.015 1.00 19.74 H new ATOM 746 N CYS H 96 36.749 20.885 8.421 1.00 14.03 N ANISOU 746 N CYS H 96 1836 1935 1558 311 -15 -3 N ATOM 747 CA CYS H 96 36.224 19.525 8.538 1.00 15.07 C ANISOU 747 CA CYS H 96 1951 2049 1724 270 -27 -24 C ATOM 748 C CYS H 96 37.111 18.630 7.690 1.00 14.98 C ANISOU 748 C CYS H 96 1986 2004 1701 289 -37 -22 C ATOM 749 O CYS H 96 37.726 19.080 6.724 1.00 16.21 O ANISOU 749 O CYS H 96 2184 2154 1821 341 -36 -20 O ATOM 750 CB CYS H 96 34.772 19.435 8.078 1.00 18.21 C ANISOU 750 CB CYS H 96 2290 2464 2164 265 -66 -94 C ATOM 751 SG CYS H 96 34.515 19.838 6.346 1.00 19.45 S ANISOU 751 SG CYS H 96 2486 2639 2266 367 -158 -152 S ATOM 0 H CYS H 96 36.521 21.307 7.707 1.00 14.03 H new ATOM 0 HA CYS H 96 36.233 19.247 9.467 1.00 15.07 H new ATOM 0 HB2 CYS H 96 34.448 18.535 8.241 1.00 18.21 H new ATOM 0 HB3 CYS H 96 34.235 20.033 8.621 1.00 18.21 H new ATOM 752 N ALA H 97 37.211 17.366 8.082 1.00 13.71 N ANISOU 752 N ALA H 97 1835 1806 1569 253 -26 -19 N ATOM 753 CA ALA H 97 38.034 16.409 7.346 1.00 13.80 C ANISOU 753 CA ALA H 97 1890 1780 1575 272 -32 -20 C ATOM 754 C ALA H 97 37.462 15.011 7.482 1.00 14.16 C ANISOU 754 C ALA H 97 1939 1774 1666 225 -22 -45 C ATOM 755 O ALA H 97 36.895 14.651 8.515 1.00 15.88 O ANISOU 755 O ALA H 97 2151 1965 1917 178 27 -31 O ATOM 756 CB ALA H 97 39.471 16.447 7.848 1.00 17.91 C ANISOU 756 CB ALA H 97 2431 2287 2088 298 -13 20 C ATOM 0 H ALA H 97 36.812 17.040 8.771 1.00 13.71 H new ATOM 0 HA ALA H 97 38.031 16.655 6.408 1.00 13.80 H new ATOM 0 HB1 ALA H 97 40.005 15.807 7.351 1.00 17.91 H new ATOM 0 HB2 ALA H 97 39.834 17.338 7.722 1.00 17.91 H new ATOM 0 HB3 ALA H 97 39.491 16.220 8.791 1.00 17.91 H new ATOM 757 N ARG H 98 37.623 14.221 6.429 1.00 14.32 N ANISOU 757 N ARG H 98 1984 1766 1689 241 -50 -83 N ATOM 758 CA ARG H 98 37.163 12.840 6.441 1.00 15.42 C ANISOU 758 CA ARG H 98 2127 1838 1891 192 -31 -121 C ATOM 759 C ARG H 98 38.154 11.914 7.135 1.00 15.00 C ANISOU 759 C ARG H 98 2148 1726 1827 197 20 -55 C ATOM 760 O ARG H 98 39.357 11.979 6.885 1.00 15.96 O ANISOU 760 O ARG H 98 2304 1856 1905 255 5 -23 O ATOM 761 CB ARG H 98 36.941 12.352 5.020 1.00 16.66 C ANISOU 761 CB ARG H 98 2293 1987 2051 222 -99 -205 C ATOM 762 CG ARG H 98 36.317 10.972 4.969 1.00 17.72 C ANISOU 762 CG ARG H 98 2407 2042 2282 158 -82 -276 C ATOM 763 CD ARG H 98 36.030 10.525 3.552 1.00 19.89 C ANISOU 763 CD ARG H 98 2689 2313 2557 201 -178 -388 C ATOM 764 NE ARG H 98 37.229 10.055 2.863 1.00 16.83 N ANISOU 764 NE ARG H 98 2406 1901 2087 263 -174 -348 N ATOM 765 CZ ARG H 98 37.198 9.319 1.755 1.00 18.23 C ANISOU 765 CZ ARG H 98 2628 2046 2253 301 -232 -434 C ATOM 766 NH1 ARG H 98 36.036 8.984 1.216 1.00 25.47 N ANISOU 766 NH1 ARG H 98 3481 2956 3243 288 -323 -580 N ATOM 767 NH2 ARG H 98 38.327 8.917 1.183 1.00 19.33 N ANISOU 767 NH2 ARG H 98 2866 2158 2321 360 -205 -391 N ATOM 0 H ARG H 98 37.998 14.466 5.695 1.00 14.32 H new ATOM 0 HA ARG H 98 36.330 12.820 6.937 1.00 15.42 H new ATOM 0 HB2 ARG H 98 36.369 12.980 4.552 1.00 16.66 H new ATOM 0 HB3 ARG H 98 37.790 12.337 4.550 1.00 16.66 H new ATOM 0 HG2 ARG H 98 36.912 10.334 5.393 1.00 17.72 H new ATOM 0 HG3 ARG H 98 35.492 10.973 5.479 1.00 17.72 H new ATOM 0 HD2 ARG H 98 35.369 9.815 3.567 1.00 19.89 H new ATOM 0 HD3 ARG H 98 35.643 11.262 3.055 1.00 19.89 H new ATOM 0 HE ARG H 98 37.996 10.265 3.191 1.00 16.83 H new ATOM 0 HH11 ARG H 98 35.302 9.242 1.582 1.00 25.47 H new ATOM 0 HH12 ARG H 98 36.015 8.508 0.500 1.00 25.47 H new ATOM 0 HH21 ARG H 98 39.085 9.132 1.529 1.00 19.33 H new ATOM 0 HH22 ARG H 98 38.301 8.441 0.467 1.00 19.33 H new ATOM 768 N GLU H 99 37.621 11.069 8.010 1.00 15.13 N ANISOU 768 N GLU H 99 2190 1669 1889 145 94 -42 N ATOM 769 CA GLU H 99 38.376 10.022 8.694 1.00 16.67 C ANISOU 769 CA GLU H 99 2491 1783 2059 171 146 18 C ATOM 770 C GLU H 99 37.827 8.686 8.196 1.00 16.64 C ANISOU 770 C GLU H 99 2504 1679 2138 114 196 -34 C ATOM 771 O GLU H 99 36.870 8.158 8.753 1.00 19.15 O ANISOU 771 O GLU H 99 2824 1915 2536 39 300 -51 O ATOM 772 CB GLU H 99 38.172 10.161 10.208 1.00 21.82 C ANISOU 772 CB GLU H 99 3214 2403 2674 176 222 86 C ATOM 773 CG GLU H 99 38.898 9.134 11.065 1.00 24.77 C ANISOU 773 CG GLU H 99 3743 2681 2986 243 271 155 C ATOM 774 CD GLU H 99 38.509 9.218 12.536 1.00 28.29 C ANISOU 774 CD GLU H 99 4309 3074 3367 267 365 222 C ATOM 775 OE1 GLU H 99 37.704 10.103 12.890 1.00 48.86 O ANISOU 775 OE1 GLU H 99 6853 5721 5989 220 398 212 O ATOM 776 OE2 GLU H 99 39.018 8.401 13.327 1.00 36.08 O ANISOU 776 OE2 GLU H 99 5468 3970 4273 351 409 285 O ATOM 0 H GLU H 99 36.790 11.088 8.229 1.00 15.13 H new ATOM 0 HA GLU H 99 39.327 10.085 8.512 1.00 16.67 H new ATOM 0 HB2 GLU H 99 38.462 11.047 10.477 1.00 21.82 H new ATOM 0 HB3 GLU H 99 37.222 10.103 10.397 1.00 21.82 H new ATOM 0 HG2 GLU H 99 38.702 8.244 10.733 1.00 24.77 H new ATOM 0 HG3 GLU H 99 39.855 9.265 10.979 1.00 24.77 H new ATOM 777 N PRO H 100 38.424 8.148 7.128 1.00 17.45 N ANISOU 777 N PRO H 100 2617 1777 2237 145 141 -70 N ATOM 778 CA PRO H 100 37.797 7.032 6.405 1.00 17.26 C ANISOU 778 CA PRO H 100 2584 1670 2305 88 160 -157 C ATOM 779 C PRO H 100 38.234 5.647 6.839 1.00 19.00 C ANISOU 779 C PRO H 100 2918 1760 2543 88 250 -117 C ATOM 780 O PRO H 100 39.283 5.459 7.454 1.00 18.82 O ANISOU 780 O PRO H 100 2994 1723 2436 167 260 -25 O ATOM 781 CB PRO H 100 38.301 7.240 4.982 1.00 18.60 C ANISOU 781 CB PRO H 100 2739 1899 2428 149 53 -213 C ATOM 782 CG PRO H 100 39.693 7.738 5.190 1.00 18.87 C ANISOU 782 CG PRO H 100 2824 1979 2368 234 44 -121 C ATOM 783 CD PRO H 100 39.621 8.643 6.427 1.00 16.39 C ANISOU 783 CD PRO H 100 2489 1708 2030 229 67 -54 C ATOM 0 HA PRO H 100 36.838 7.049 6.548 1.00 17.26 H new ATOM 0 HB2 PRO H 100 38.287 6.415 4.472 1.00 18.60 H new ATOM 0 HB3 PRO H 100 37.758 7.882 4.499 1.00 18.60 H new ATOM 0 HG2 PRO H 100 40.310 7.003 5.330 1.00 18.87 H new ATOM 0 HG3 PRO H 100 40.008 8.229 4.415 1.00 18.87 H new ATOM 0 HD2 PRO H 100 40.417 8.565 6.976 1.00 16.39 H new ATOM 0 HD3 PRO H 100 39.534 9.578 6.184 1.00 16.39 H new ATOM 784 N ASP H 101 37.413 4.665 6.495 1.00 18.98 N ANISOU 784 N ASP H 101 2896 1653 2661 6 308 -202 N ATOM 785 CA ASP H 101 37.895 3.304 6.409 1.00 19.24 C ANISOU 785 CA ASP H 101 3037 1561 2714 14 371 -191 C ATOM 786 C ASP H 101 38.245 3.082 4.945 1.00 22.06 C ANISOU 786 C ASP H 101 3360 1958 3065 48 252 -283 C ATOM 787 O ASP H 101 37.545 3.557 4.052 1.00 28.68 O ANISOU 787 O ASP H 101 4094 2860 3942 25 160 -398 O ATOM 788 CB ASP H 101 36.828 2.297 6.854 1.00 23.83 C ANISOU 788 CB ASP H 101 3626 1974 3454 -103 532 -244 C ATOM 789 CG ASP H 101 36.545 2.359 8.343 1.00 40.14 C ANISOU 789 CG ASP H 101 5787 3962 5503 -119 699 -135 C ATOM 790 OD1 ASP H 101 35.392 2.079 8.735 1.00 56.66 O ANISOU 790 OD1 ASP H 101 7832 5949 7749 -236 849 -192 O ATOM 791 OD2 ASP H 101 37.468 2.679 9.119 1.00 37.03 O ANISOU 791 OD2 ASP H 101 5518 3603 4949 -7 683 -5 O ATOM 0 H ASP H 101 36.580 4.768 6.309 1.00 18.98 H new ATOM 0 HA ASP H 101 38.658 3.172 6.994 1.00 19.24 H new ATOM 0 HB2 ASP H 101 36.007 2.465 6.366 1.00 23.83 H new ATOM 0 HB3 ASP H 101 37.118 1.401 6.621 1.00 23.83 H new ATOM 792 N TYR H 102 39.362 2.415 4.699 1.00 19.07 N ANISOU 792 N TYR H 102 3080 1543 2621 125 248 -236 N ATOM 793 CA TYR H 102 39.697 1.960 3.354 1.00 19.28 C ANISOU 793 CA TYR H 102 3112 1573 2642 159 173 -321 C ATOM 794 C TYR H 102 39.359 0.479 3.277 1.00 20.69 C ANISOU 794 C TYR H 102 3347 1590 2925 102 253 -379 C ATOM 795 O TYR H 102 38.954 -0.117 4.277 1.00 21.47 O ANISOU 795 O TYR H 102 3493 1572 3093 41 384 -336 O ATOM 796 CB TYR H 102 41.175 2.204 3.055 1.00 18.52 C ANISOU 796 CB TYR H 102 3073 1531 2432 279 137 -247 C ATOM 797 CG TYR H 102 41.545 3.659 2.783 1.00 17.41 C ANISOU 797 CG TYR H 102 2872 1529 2215 329 74 -222 C ATOM 798 CD1 TYR H 102 42.874 4.022 2.594 1.00 17.59 C ANISOU 798 CD1 TYR H 102 2913 1592 2180 420 71 -170 C ATOM 799 CD2 TYR H 102 40.574 4.663 2.699 1.00 17.07 C ANISOU 799 CD2 TYR H 102 2748 1562 2177 286 30 -261 C ATOM 800 CE1 TYR H 102 43.235 5.333 2.346 1.00 17.24 C ANISOU 800 CE1 TYR H 102 2817 1643 2091 454 51 -153 C ATOM 801 CE2 TYR H 102 40.931 5.991 2.434 1.00 17.26 C ANISOU 801 CE2 TYR H 102 2740 1690 2128 337 -7 -233 C ATOM 802 CZ TYR H 102 42.265 6.307 2.261 1.00 15.82 C ANISOU 802 CZ TYR H 102 2586 1528 1896 414 16 -177 C ATOM 803 OH TYR H 102 42.641 7.612 2.018 1.00 18.92 O ANISOU 803 OH TYR H 102 2949 1996 2244 451 17 -153 O ATOM 0 H TYR H 102 39.944 2.213 5.299 1.00 19.07 H new ATOM 0 HA TYR H 102 39.190 2.453 2.690 1.00 19.28 H new ATOM 0 HB2 TYR H 102 41.700 1.886 3.806 1.00 18.52 H new ATOM 0 HB3 TYR H 102 41.428 1.671 2.285 1.00 18.52 H new ATOM 0 HD1 TYR H 102 43.534 3.368 2.635 1.00 17.59 H new ATOM 0 HD2 TYR H 102 39.678 4.445 2.821 1.00 17.07 H new ATOM 0 HE1 TYR H 102 44.131 5.557 2.237 1.00 17.24 H new ATOM 0 HE2 TYR H 102 40.279 6.651 2.375 1.00 17.26 H new ATOM 0 HH TYR H 102 41.971 8.114 2.085 1.00 18.92 H new ATOM 804 N TYR H 103 39.498 -0.111 2.093 1.00 21.21 N ANISOU 804 N TYR H 103 3425 1634 3000 123 191 -479 N ATOM 805 CA TYR H 103 39.190 -1.525 1.919 1.00 22.68 C ANISOU 805 CA TYR H 103 3660 1658 3300 65 263 -555 C ATOM 806 C TYR H 103 40.300 -2.202 1.136 1.00 22.75 C ANISOU 806 C TYR H 103 3772 1642 3230 164 233 -546 C ATOM 807 O TYR H 103 40.675 -1.739 0.059 1.00 22.33 O ANISOU 807 O TYR H 103 3712 1681 3092 238 127 -595 O ATOM 808 CB TYR H 103 37.856 -1.706 1.182 1.00 24.96 C ANISOU 808 CB TYR H 103 3825 1921 3740 -31 204 -759 C ATOM 809 CG TYR H 103 37.393 -3.145 1.123 1.00 25.69 C ANISOU 809 CG TYR H 103 3939 1821 4000 -122 303 -862 C ATOM 810 CD1 TYR H 103 36.632 -3.685 2.149 1.00 27.62 C ANISOU 810 CD1 TYR H 103 4167 1916 4413 -248 488 -857 C ATOM 811 CD2 TYR H 103 37.732 -3.971 0.053 1.00 26.45 C ANISOU 811 CD2 TYR H 103 4089 1868 4094 -81 237 -965 C ATOM 812 CE1 TYR H 103 36.210 -4.991 2.117 1.00 28.70 C ANISOU 812 CE1 TYR H 103 4329 1850 4727 -343 614 -953 C ATOM 813 CE2 TYR H 103 37.314 -5.292 0.010 1.00 31.82 C ANISOU 813 CE2 TYR H 103 4788 2358 4946 -171 336 -1069 C ATOM 814 CZ TYR H 103 36.556 -5.797 1.048 1.00 29.39 C ANISOU 814 CZ TYR H 103 4453 1893 4819 -307 531 -1063 C ATOM 815 OH TYR H 103 36.133 -7.104 1.016 1.00 33.46 O ANISOU 815 OH TYR H 103 4991 2192 5528 -408 664 -1170 O ATOM 0 H TYR H 103 39.768 0.289 1.381 1.00 21.21 H new ATOM 0 HA TYR H 103 39.116 -1.932 2.797 1.00 22.68 H new ATOM 0 HB2 TYR H 103 37.176 -1.172 1.622 1.00 24.96 H new ATOM 0 HB3 TYR H 103 37.944 -1.364 0.278 1.00 24.96 H new ATOM 0 HD1 TYR H 103 36.402 -3.151 2.875 1.00 27.62 H new ATOM 0 HD2 TYR H 103 38.247 -3.631 -0.643 1.00 26.45 H new ATOM 0 HE1 TYR H 103 35.694 -5.332 2.811 1.00 28.70 H new ATOM 0 HE2 TYR H 103 37.542 -5.833 -0.711 1.00 31.82 H new ATOM 0 HH TYR H 103 36.413 -7.472 0.315 1.00 33.46 H new ATOM 816 N ASP H 104 40.822 -3.297 1.683 1.00 23.45 N ANISOU 816 N ASP H 104 3976 1594 3341 176 342 -480 N ATOM 817 CA ASP H 104 41.781 -4.143 0.973 1.00 23.84 C ANISOU 817 CA ASP H 104 4123 1590 3347 262 333 -487 C ATOM 818 C ASP H 104 41.495 -5.610 1.295 1.00 25.57 C ANISOU 818 C ASP H 104 4438 1601 3677 205 459 -512 C ATOM 819 O ASP H 104 40.372 -5.946 1.674 1.00 27.63 O ANISOU 819 O ASP H 104 4658 1761 4080 77 543 -578 O ATOM 820 CB ASP H 104 43.231 -3.732 1.288 1.00 24.97 C ANISOU 820 CB ASP H 104 4317 1808 3364 402 317 -355 C ATOM 821 CG ASP H 104 43.609 -3.927 2.753 1.00 26.21 C ANISOU 821 CG ASP H 104 4552 1907 3499 441 395 -219 C ATOM 822 OD1 ASP H 104 42.841 -4.555 3.512 1.00 30.21 O ANISOU 822 OD1 ASP H 104 5122 2283 4073 367 504 -203 O ATOM 823 OD2 ASP H 104 44.698 -3.454 3.139 1.00 34.91 O ANISOU 823 OD2 ASP H 104 5660 3083 4520 558 352 -139 O ATOM 0 H ASP H 104 40.631 -3.571 2.475 1.00 23.45 H new ATOM 0 HA ASP H 104 41.676 -4.022 0.016 1.00 23.84 H new ATOM 0 HB2 ASP H 104 43.835 -4.250 0.733 1.00 24.97 H new ATOM 0 HB3 ASP H 104 43.355 -2.800 1.050 1.00 24.97 H new ATOM 824 N SER H 105 42.481 -6.493 1.127 1.00 28.93 N ANISOU 824 N SER H 105 4986 1947 4059 297 490 -469 N ATOM 825 CA SER H 105 42.264 -7.921 1.395 1.00 32.36 C ANISOU 825 CA SER H 105 5539 2163 4594 254 626 -487 C ATOM 826 C SER H 105 41.958 -8.211 2.865 1.00 39.78 C ANISOU 826 C SER H 105 6579 2975 5560 226 790 -365 C ATOM 827 O SER H 105 41.426 -9.273 3.189 1.00 39.03 O ANISOU 827 O SER H 105 6548 2711 5572 149 932 -381 O ATOM 828 CB SER H 105 43.454 -8.777 0.938 1.00 32.66 C ANISOU 828 CB SER H 105 5700 2142 4567 382 623 -459 C ATOM 829 OG SER H 105 44.642 -8.416 1.618 1.00 44.43 O ANISOU 829 OG SER H 105 7247 3701 5933 532 602 -312 O ATOM 0 H SER H 105 43.274 -6.292 0.862 1.00 28.93 H new ATOM 0 HA SER H 105 41.482 -8.164 0.875 1.00 32.36 H new ATOM 0 HB2 SER H 105 43.260 -9.714 1.097 1.00 32.66 H new ATOM 0 HB3 SER H 105 43.582 -8.672 -0.018 1.00 32.66 H new ATOM 0 HG SER H 105 45.021 -7.789 1.207 1.00 44.43 H new ATOM 830 N SER H 106 42.293 -7.268 3.745 1.00 33.31 N ANISOU 830 N SER H 106 5758 2267 4632 292 762 -241 N ATOM 831 CA SER H 106 42.030 -7.426 5.176 1.00 35.91 C ANISOU 831 CA SER H 106 6219 2484 4942 299 912 -116 C ATOM 832 C SER H 106 40.596 -7.021 5.515 1.00 39.33 C ANISOU 832 C SER H 106 6549 2887 5508 125 1011 -176 C ATOM 833 O SER H 106 40.151 -7.172 6.657 1.00 39.43 O ANISOU 833 O SER H 106 6646 2821 5515 101 1162 -86 O ATOM 834 CB SER H 106 43.026 -6.605 6.007 1.00 36.98 C ANISOU 834 CB SER H 106 6402 2748 4900 463 821 20 C ATOM 835 OG SER H 106 42.706 -5.222 6.009 1.00 35.38 O ANISOU 835 OG SER H 106 6034 2732 4677 420 722 4 O ATOM 0 H SER H 106 42.675 -6.527 3.533 1.00 33.31 H new ATOM 0 HA SER H 106 42.143 -8.363 5.398 1.00 35.91 H new ATOM 0 HB2 SER H 106 43.034 -6.935 6.919 1.00 36.98 H new ATOM 0 HB3 SER H 106 43.920 -6.728 5.653 1.00 36.98 H new ATOM 0 HG SER H 106 42.569 -4.965 5.221 1.00 35.38 H new ATOM 836 N GLY H 107 39.874 -6.519 4.515 1.00 27.82 N ANISOU 836 N GLY H 107 4886 1530 4153 17 906 -334 N ATOM 837 CA GLY H 107 38.531 -5.995 4.711 1.00 28.17 C ANISOU 837 CA GLY H 107 4782 1577 4343 -135 958 -424 C ATOM 838 C GLY H 107 38.576 -4.490 4.896 1.00 26.38 C ANISOU 838 C GLY H 107 4447 1570 4007 -94 826 -377 C ATOM 839 O GLY H 107 39.495 -3.833 4.409 1.00 25.20 O ANISOU 839 O GLY H 107 4281 1579 3712 20 666 -339 O ATOM 0 H GLY H 107 40.153 -6.474 3.703 1.00 27.82 H new ATOM 0 HA2 GLY H 107 37.976 -6.217 3.947 1.00 28.17 H new ATOM 0 HA3 GLY H 107 38.125 -6.411 5.488 1.00 28.17 H new ATOM 840 N TYR H 108 37.585 -3.935 5.590 1.00 26.63 N ANISOU 840 N TYR H 108 4402 1596 4122 -190 912 -385 N ATOM 841 CA TYR H 108 37.601 -2.518 5.929 1.00 29.06 C ANISOU 841 CA TYR H 108 4627 2090 4325 -150 811 -328 C ATOM 842 C TYR H 108 38.606 -2.276 7.048 1.00 24.46 C ANISOU 842 C TYR H 108 4217 1522 3554 -15 843 -134 C ATOM 843 O TYR H 108 38.738 -3.087 7.963 1.00 26.67 O ANISOU 843 O TYR H 108 4684 1638 3813 15 1007 -39 O ATOM 844 CB TYR H 108 36.207 -2.040 6.355 1.00 30.43 C ANISOU 844 CB TYR H 108 4663 2242 4657 -288 902 -406 C ATOM 845 CG TYR H 108 35.204 -1.959 5.221 1.00 28.32 C ANISOU 845 CG TYR H 108 4176 2012 4572 -389 795 -634 C ATOM 846 CD1 TYR H 108 35.143 -0.839 4.404 1.00 30.17 C ANISOU 846 CD1 TYR H 108 4279 2449 4737 -337 575 -703 C ATOM 847 CD2 TYR H 108 34.312 -2.998 4.980 1.00 33.32 C ANISOU 847 CD2 TYR H 108 4744 2467 5450 -522 913 -793 C ATOM 848 CE1 TYR H 108 34.231 -0.756 3.371 1.00 37.57 C ANISOU 848 CE1 TYR H 108 5040 3421 5813 -387 444 -923 C ATOM 849 CE2 TYR H 108 33.395 -2.926 3.947 1.00 38.17 C ANISOU 849 CE2 TYR H 108 5145 3119 6240 -593 777 -1036 C ATOM 850 CZ TYR H 108 33.358 -1.800 3.151 1.00 40.97 C ANISOU 850 CZ TYR H 108 5386 3688 6491 -511 528 -1100 C ATOM 851 OH TYR H 108 32.450 -1.718 2.121 1.00 51.66 O ANISOU 851 OH TYR H 108 6552 5083 7992 -541 360 -1354 O ATOM 0 H TYR H 108 36.895 -4.363 5.873 1.00 26.63 H new ATOM 0 HA TYR H 108 37.863 -2.012 5.144 1.00 29.06 H new ATOM 0 HB2 TYR H 108 35.864 -2.641 7.035 1.00 30.43 H new ATOM 0 HB3 TYR H 108 36.288 -1.165 6.765 1.00 30.43 H new ATOM 0 HD1 TYR H 108 35.727 -0.131 4.555 1.00 30.17 H new ATOM 0 HD2 TYR H 108 34.332 -3.753 5.522 1.00 33.32 H new ATOM 0 HE1 TYR H 108 34.206 -0.002 2.828 1.00 37.57 H new ATOM 0 HE2 TYR H 108 32.809 -3.631 3.790 1.00 38.17 H new ATOM 0 HH TYR H 108 31.985 -2.417 2.101 1.00 51.66 H new ATOM 852 N TYR H 109 39.330 -1.168 6.962 1.00 22.82 N ANISOU 852 N TYR H 109 3957 1502 3211 81 684 -86 N ATOM 853 CA TYR H 109 40.321 -0.840 7.978 1.00 25.35 C ANISOU 853 CA TYR H 109 4406 1855 3369 222 667 57 C ATOM 854 C TYR H 109 40.452 0.671 8.107 1.00 21.16 C ANISOU 854 C TYR H 109 3757 1513 2769 249 546 70 C ATOM 855 O TYR H 109 40.409 1.395 7.110 1.00 19.90 O ANISOU 855 O TYR H 109 3449 1479 2632 221 432 -7 O ATOM 856 CB TYR H 109 41.672 -1.496 7.652 1.00 25.01 C ANISOU 856 CB TYR H 109 4458 1800 3246 361 595 91 C ATOM 857 CG TYR H 109 42.365 -0.941 6.425 1.00 23.05 C ANISOU 857 CG TYR H 109 4073 1697 2987 392 439 22 C ATOM 858 CD1 TYR H 109 42.059 -1.416 5.154 1.00 25.02 C ANISOU 858 CD1 TYR H 109 4263 1928 3315 328 420 -87 C ATOM 859 CD2 TYR H 109 43.334 0.047 6.541 1.00 25.06 C ANISOU 859 CD2 TYR H 109 4272 2093 3158 493 327 57 C ATOM 860 CE1 TYR H 109 42.691 -0.915 4.032 1.00 25.29 C ANISOU 860 CE1 TYR H 109 4219 2074 3314 375 309 -139 C ATOM 861 CE2 TYR H 109 43.971 0.549 5.424 1.00 25.29 C ANISOU 861 CE2 TYR H 109 4197 2223 3187 518 238 1 C ATOM 862 CZ TYR H 109 43.645 0.067 4.177 1.00 26.87 C ANISOU 862 CZ TYR H 109 4375 2397 3436 466 238 -86 C ATOM 863 OH TYR H 109 44.277 0.577 3.066 1.00 29.22 O ANISOU 863 OH TYR H 109 4614 2779 3710 509 179 -132 O ATOM 0 H TYR H 109 39.264 -0.594 6.325 1.00 22.82 H new ATOM 0 HA TYR H 109 40.026 -1.193 8.832 1.00 25.35 H new ATOM 0 HB2 TYR H 109 42.261 -1.392 8.416 1.00 25.01 H new ATOM 0 HB3 TYR H 109 41.534 -2.448 7.528 1.00 25.01 H new ATOM 0 HD1 TYR H 109 41.418 -2.083 5.058 1.00 25.02 H new ATOM 0 HD2 TYR H 109 43.557 0.375 7.382 1.00 25.06 H new ATOM 0 HE1 TYR H 109 42.474 -1.238 3.187 1.00 25.29 H new ATOM 0 HE2 TYR H 109 44.618 1.211 5.514 1.00 25.29 H new ATOM 0 HH TYR H 109 43.758 0.539 2.406 1.00 29.22 H new ATOM 864 N PRO H 110 40.587 1.171 9.344 1.00 22.01 N ANISOU 864 N PRO H 110 3950 1632 2783 313 575 165 N ATOM 865 CA PRO H 110 40.761 2.613 9.518 1.00 23.67 C ANISOU 865 CA PRO H 110 4050 2010 2935 339 463 171 C ATOM 866 C PRO H 110 42.187 3.025 9.175 1.00 20.64 C ANISOU 866 C PRO H 110 3632 1731 2478 465 312 176 C ATOM 867 O PRO H 110 43.126 2.261 9.397 1.00 24.62 O ANISOU 867 O PRO H 110 4244 2177 2934 578 293 209 O ATOM 868 CB PRO H 110 40.472 2.820 11.008 1.00 26.19 C ANISOU 868 CB PRO H 110 4503 2275 3172 382 554 262 C ATOM 869 CG PRO H 110 40.840 1.519 11.649 1.00 29.69 C ANISOU 869 CG PRO H 110 5177 2546 3559 468 659 335 C ATOM 870 CD PRO H 110 40.551 0.442 10.627 1.00 26.33 C ANISOU 870 CD PRO H 110 4720 2021 3262 375 722 268 C ATOM 0 HA PRO H 110 40.187 3.143 8.944 1.00 23.67 H new ATOM 0 HB2 PRO H 110 40.995 3.552 11.370 1.00 26.19 H new ATOM 0 HB3 PRO H 110 39.539 3.036 11.159 1.00 26.19 H new ATOM 0 HG2 PRO H 110 41.776 1.512 11.903 1.00 29.69 H new ATOM 0 HG3 PRO H 110 40.325 1.375 12.458 1.00 29.69 H new ATOM 0 HD2 PRO H 110 41.214 -0.265 10.655 1.00 26.33 H new ATOM 0 HD3 PRO H 110 39.687 0.027 10.779 1.00 26.33 H new ATOM 871 N ILE H 111 42.342 4.212 8.599 1.00 19.39 N ANISOU 871 N ILE H 111 3324 1714 2328 448 218 134 N ATOM 872 CA ILE H 111 43.672 4.768 8.391 1.00 21.06 C ANISOU 872 CA ILE H 111 3480 2013 2507 552 111 126 C ATOM 873 C ILE H 111 44.096 5.607 9.599 1.00 20.85 C ANISOU 873 C ILE H 111 3464 2043 2415 633 54 163 C ATOM 874 O ILE H 111 45.272 5.944 9.726 1.00 21.83 O ANISOU 874 O ILE H 111 3543 2216 2534 736 -38 140 O ATOM 875 CB ILE H 111 43.793 5.590 7.092 1.00 20.21 C ANISOU 875 CB ILE H 111 3236 1999 2443 509 70 62 C ATOM 876 CG1 ILE H 111 42.904 6.830 7.114 1.00 18.23 C ANISOU 876 CG1 ILE H 111 2901 1831 2193 436 64 51 C ATOM 877 CG2 ILE H 111 43.472 4.710 5.888 1.00 22.96 C ANISOU 877 CG2 ILE H 111 3601 2290 2831 465 99 11 C ATOM 878 CD1 ILE H 111 43.203 7.770 5.936 1.00 20.77 C ANISOU 878 CD1 ILE H 111 3136 2232 2526 435 33 5 C ATOM 0 H ILE H 111 41.695 4.708 8.324 1.00 19.39 H new ATOM 0 HA ILE H 111 44.274 4.013 8.294 1.00 21.06 H new ATOM 0 HB ILE H 111 44.709 5.902 7.021 1.00 20.21 H new ATOM 0 HG12 ILE H 111 41.973 6.560 7.084 1.00 18.23 H new ATOM 0 HG13 ILE H 111 43.035 7.306 7.949 1.00 18.23 H new ATOM 0 HG21 ILE H 111 43.550 5.233 5.075 1.00 22.96 H new ATOM 0 HG22 ILE H 111 44.095 3.967 5.855 1.00 22.96 H new ATOM 0 HG23 ILE H 111 42.567 4.370 5.968 1.00 22.96 H new ATOM 0 HD11 ILE H 111 42.620 8.544 5.984 1.00 20.77 H new ATOM 0 HD12 ILE H 111 44.128 8.059 5.979 1.00 20.77 H new ATOM 0 HD13 ILE H 111 43.050 7.301 5.101 1.00 20.77 H new ATOM 879 N ASP H 112 43.142 5.920 10.481 1.00 17.14 N ANISOU 879 N ASP H 112 3047 1557 1908 590 111 203 N ATOM 880 CA ASP H 112 43.390 6.754 11.664 1.00 18.94 C ANISOU 880 CA ASP H 112 3306 1835 2056 669 58 231 C ATOM 881 C ASP H 112 44.090 8.072 11.295 1.00 18.75 C ANISOU 881 C ASP H 112 3111 1942 2069 680 -52 171 C ATOM 882 O ASP H 112 45.066 8.478 11.930 1.00 19.16 O ANISOU 882 O ASP H 112 3152 2034 2096 794 -155 146 O ATOM 883 CB ASP H 112 44.150 5.975 12.745 1.00 22.09 C ANISOU 883 CB ASP H 112 3891 2157 2348 839 23 276 C ATOM 884 CG ASP H 112 43.310 4.863 13.370 1.00 25.61 C ANISOU 884 CG ASP H 112 4551 2443 2737 829 183 357 C ATOM 885 OD1 ASP H 112 42.075 5.030 13.487 1.00 29.83 O ANISOU 885 OD1 ASP H 112 5085 2942 3309 701 318 376 O ATOM 886 OD2 ASP H 112 43.898 3.843 13.775 1.00 35.29 O ANISOU 886 OD2 ASP H 112 5949 3568 3892 958 185 395 O ATOM 0 H ASP H 112 42.328 5.653 10.410 1.00 17.14 H new ATOM 0 HA ASP H 112 42.529 6.995 12.040 1.00 18.94 H new ATOM 0 HB2 ASP H 112 44.952 5.591 12.358 1.00 22.09 H new ATOM 0 HB3 ASP H 112 44.436 6.589 13.440 1.00 22.09 H new ATOM 887 N ALA H 113 43.566 8.721 10.262 1.00 15.85 N ANISOU 887 N ALA H 113 2620 1630 1771 570 -25 137 N ATOM 888 CA ALA H 113 44.119 9.964 9.729 1.00 15.12 C ANISOU 888 CA ALA H 113 2389 1632 1725 565 -76 88 C ATOM 889 C ALA H 113 43.051 10.610 8.881 1.00 15.55 C ANISOU 889 C ALA H 113 2384 1722 1803 459 -28 77 C ATOM 890 O ALA H 113 41.994 10.016 8.652 1.00 17.25 O ANISOU 890 O ALA H 113 2635 1896 2022 393 20 82 O ATOM 891 CB ALA H 113 45.345 9.684 8.902 1.00 17.99 C ANISOU 891 CB ALA H 113 2695 1991 2150 616 -101 43 C ATOM 0 H ALA H 113 42.867 8.448 9.842 1.00 15.85 H new ATOM 0 HA ALA H 113 44.382 10.554 10.453 1.00 15.12 H new ATOM 0 HB1 ALA H 113 45.700 10.518 8.556 1.00 17.99 H new ATOM 0 HB2 ALA H 113 46.016 9.252 9.454 1.00 17.99 H new ATOM 0 HB3 ALA H 113 45.111 9.101 8.163 1.00 17.99 H new ATOM 892 N PHE H 114 43.318 11.830 8.421 1.00 14.72 N ANISOU 892 N PHE H 114 2187 1682 1722 450 -41 49 N ATOM 893 CA PHE H 114 42.319 12.611 7.707 1.00 14.50 C ANISOU 893 CA PHE H 114 2125 1692 1693 386 -16 37 C ATOM 894 C PHE H 114 42.778 12.822 6.278 1.00 14.00 C ANISOU 894 C PHE H 114 2048 1629 1643 402 6 7 C ATOM 895 O PHE H 114 43.750 13.525 6.028 1.00 14.43 O ANISOU 895 O PHE H 114 2061 1691 1731 433 32 -5 O ATOM 896 CB PHE H 114 42.099 13.955 8.412 1.00 15.49 C ANISOU 896 CB PHE H 114 2201 1875 1810 378 -27 43 C ATOM 897 CG PHE H 114 41.841 13.826 9.882 1.00 15.23 C ANISOU 897 CG PHE H 114 2210 1835 1740 390 -42 73 C ATOM 898 CD1 PHE H 114 40.791 13.055 10.352 1.00 20.89 C ANISOU 898 CD1 PHE H 114 2994 2507 2436 351 5 102 C ATOM 899 CD2 PHE H 114 42.653 14.483 10.790 1.00 21.05 C ANISOU 899 CD2 PHE H 114 2929 2600 2470 449 -93 60 C ATOM 900 CE1 PHE H 114 40.560 12.927 11.725 1.00 22.67 C ANISOU 900 CE1 PHE H 114 3304 2705 2605 379 27 142 C ATOM 901 CE2 PHE H 114 42.427 14.370 12.157 1.00 26.55 C ANISOU 901 CE2 PHE H 114 3706 3285 3097 492 -114 87 C ATOM 902 CZ PHE H 114 41.380 13.588 12.622 1.00 20.48 C ANISOU 902 CZ PHE H 114 3040 2462 2279 462 -41 140 C ATOM 0 H PHE H 114 44.077 12.223 8.514 1.00 14.72 H new ATOM 0 HA PHE H 114 41.475 12.133 7.699 1.00 14.50 H new ATOM 0 HB2 PHE H 114 42.880 14.514 8.276 1.00 15.49 H new ATOM 0 HB3 PHE H 114 41.349 14.410 7.998 1.00 15.49 H new ATOM 0 HD1 PHE H 114 40.234 12.618 9.749 1.00 20.89 H new ATOM 0 HD2 PHE H 114 43.358 15.006 10.482 1.00 21.05 H new ATOM 0 HE1 PHE H 114 39.859 12.400 12.034 1.00 22.67 H new ATOM 0 HE2 PHE H 114 42.977 14.818 12.759 1.00 26.55 H new ATOM 0 HZ PHE H 114 41.229 13.508 13.536 1.00 20.48 H new ATOM 903 N ASP H 115 42.093 12.188 5.331 1.00 14.68 N ANISOU 903 N ASP H 115 2176 1691 1709 385 8 -16 N ATOM 904 CA ASP H 115 42.578 12.172 3.950 1.00 14.10 C ANISOU 904 CA ASP H 115 2142 1600 1617 428 35 -42 C ATOM 905 C ASP H 115 42.023 13.285 3.060 1.00 17.10 C ANISOU 905 C ASP H 115 2547 2011 1940 452 42 -57 C ATOM 906 O ASP H 115 42.723 13.770 2.172 1.00 21.53 O ANISOU 906 O ASP H 115 3158 2548 2474 505 110 -54 O ATOM 907 CB ASP H 115 42.414 10.776 3.305 1.00 15.53 C ANISOU 907 CB ASP H 115 2383 1725 1793 432 21 -74 C ATOM 908 CG ASP H 115 40.954 10.355 3.099 1.00 17.41 C ANISOU 908 CG ASP H 115 2623 1961 2031 385 -33 -127 C ATOM 909 OD1 ASP H 115 40.020 10.894 3.737 1.00 17.00 O ANISOU 909 OD1 ASP H 115 2516 1944 1998 340 -53 -131 O ATOM 910 OD2 ASP H 115 40.747 9.419 2.289 1.00 18.52 O ANISOU 910 OD2 ASP H 115 2808 2057 2170 394 -55 -183 O ATOM 0 H ASP H 115 41.355 11.766 5.462 1.00 14.68 H new ATOM 0 HA ASP H 115 43.526 12.366 4.016 1.00 14.10 H new ATOM 0 HB2 ASP H 115 42.867 10.770 2.447 1.00 15.53 H new ATOM 0 HB3 ASP H 115 42.856 10.117 3.864 1.00 15.53 H new ATOM 911 N ILE H 116 40.772 13.676 3.287 1.00 15.14 N ANISOU 911 N ILE H 116 2276 1802 1674 424 -14 -76 N ATOM 912 CA ILE H 116 40.111 14.703 2.483 1.00 15.90 C ANISOU 912 CA ILE H 116 2411 1928 1703 474 -34 -97 C ATOM 913 C ILE H 116 39.671 15.808 3.430 1.00 14.02 C ANISOU 913 C ILE H 116 2105 1738 1486 441 -33 -70 C ATOM 914 O ILE H 116 39.050 15.534 4.455 1.00 17.02 O ANISOU 914 O ILE H 116 2415 2135 1915 378 -59 -72 O ATOM 915 CB ILE H 116 38.902 14.118 1.722 1.00 17.03 C ANISOU 915 CB ILE H 116 2575 2076 1818 497 -136 -185 C ATOM 916 CG1 ILE H 116 39.364 13.013 0.766 1.00 19.90 C ANISOU 916 CG1 ILE H 116 3020 2387 2154 536 -141 -221 C ATOM 917 CG2 ILE H 116 38.149 15.210 0.965 1.00 21.91 C ANISOU 917 CG2 ILE H 116 3245 2729 2349 585 -191 -219 C ATOM 918 CD1 ILE H 116 38.234 12.337 0.008 1.00 27.31 C ANISOU 918 CD1 ILE H 116 3967 3324 3086 562 -264 -342 C ATOM 0 H ILE H 116 40.280 13.352 3.914 1.00 15.14 H new ATOM 0 HA ILE H 116 40.721 15.052 1.814 1.00 15.90 H new ATOM 0 HB ILE H 116 38.291 13.733 2.369 1.00 17.03 H new ATOM 0 HG12 ILE H 116 39.988 13.391 0.127 1.00 19.90 H new ATOM 0 HG13 ILE H 116 39.848 12.342 1.272 1.00 19.90 H new ATOM 0 HG21 ILE H 116 37.396 14.818 0.496 1.00 21.91 H new ATOM 0 HG22 ILE H 116 37.828 15.876 1.592 1.00 21.91 H new ATOM 0 HG23 ILE H 116 38.745 15.630 0.325 1.00 21.91 H new ATOM 0 HD11 ILE H 116 38.599 11.653 -0.575 1.00 27.31 H new ATOM 0 HD12 ILE H 116 37.619 11.930 0.638 1.00 27.31 H new ATOM 0 HD13 ILE H 116 37.762 12.996 -0.524 1.00 27.31 H new ATOM 919 N TRP H 117 40.029 17.042 3.092 1.00 15.87 N ANISOU 919 N TRP H 117 2374 1973 1680 486 21 -43 N ATOM 920 CA TRP H 117 39.788 18.192 3.953 1.00 14.38 C ANISOU 920 CA TRP H 117 2130 1820 1514 460 35 -19 C ATOM 921 C TRP H 117 38.905 19.208 3.256 1.00 13.72 C ANISOU 921 C TRP H 117 2106 1753 1352 529 12 -32 C ATOM 922 O TRP H 117 39.005 19.428 2.042 1.00 16.21 O ANISOU 922 O TRP H 117 2545 2034 1579 622 32 -37 O ATOM 923 CB TRP H 117 41.119 18.865 4.288 1.00 16.18 C ANISOU 923 CB TRP H 117 2336 2016 1797 451 135 12 C ATOM 924 CG TRP H 117 41.997 18.076 5.197 1.00 14.02 C ANISOU 924 CG TRP H 117 1989 1736 1602 411 124 9 C ATOM 925 CD1 TRP H 117 42.638 16.898 4.914 1.00 15.42 C ANISOU 925 CD1 TRP H 117 2180 1882 1799 420 123 0 C ATOM 926 CD2 TRP H 117 42.348 18.410 6.539 1.00 13.89 C ANISOU 926 CD2 TRP H 117 1893 1744 1642 381 99 6 C ATOM 927 NE1 TRP H 117 43.351 16.480 6.011 1.00 14.95 N ANISOU 927 NE1 TRP H 117 2054 1824 1802 408 91 -6 N ATOM 928 CE2 TRP H 117 43.194 17.391 7.022 1.00 15.04 C ANISOU 928 CE2 TRP H 117 2015 1871 1830 390 69 -7 C ATOM 929 CE3 TRP H 117 42.018 19.471 7.386 1.00 14.05 C ANISOU 929 CE3 TRP H 117 1872 1795 1670 363 89 6 C ATOM 930 CZ2 TRP H 117 43.724 17.409 8.314 1.00 14.04 C ANISOU 930 CZ2 TRP H 117 1838 1759 1739 401 13 -26 C ATOM 931 CZ3 TRP H 117 42.540 19.495 8.658 1.00 14.68 C ANISOU 931 CZ3 TRP H 117 1898 1890 1789 359 43 -14 C ATOM 932 CH2 TRP H 117 43.378 18.470 9.123 1.00 15.23 C ANISOU 932 CH2 TRP H 117 1957 1943 1885 387 -4 -32 C ATOM 0 H TRP H 117 40.421 17.236 2.352 1.00 15.87 H new ATOM 0 HA TRP H 117 39.348 17.881 4.760 1.00 14.38 H new ATOM 0 HB2 TRP H 117 41.598 19.037 3.463 1.00 16.18 H new ATOM 0 HB3 TRP H 117 40.939 19.726 4.697 1.00 16.18 H new ATOM 0 HD1 TRP H 117 42.596 16.449 4.101 1.00 15.42 H new ATOM 0 HE1 TRP H 117 43.821 15.761 6.056 1.00 14.95 H new ATOM 0 HE3 TRP H 117 41.454 20.150 7.094 1.00 14.05 H new ATOM 0 HZ2 TRP H 117 44.287 16.733 8.616 1.00 14.04 H new ATOM 0 HZ3 TRP H 117 42.333 20.205 9.222 1.00 14.68 H new ATOM 0 HH2 TRP H 117 43.706 18.507 9.993 1.00 15.23 H new ATOM 933 N GLY H 118 38.064 19.872 4.043 1.00 14.32 N ANISOU 933 N GLY H 118 2115 1875 1450 502 -25 -38 N ATOM 934 CA GLY H 118 37.354 21.047 3.561 1.00 14.49 C ANISOU 934 CA GLY H 118 2190 1911 1404 580 -42 -44 C ATOM 935 C GLY H 118 38.332 22.194 3.403 1.00 15.43 C ANISOU 935 C GLY H 118 2380 1977 1506 606 88 14 C ATOM 936 O GLY H 118 39.503 22.087 3.787 1.00 14.66 O ANISOU 936 O GLY H 118 2248 1844 1481 550 177 38 O ATOM 0 H GLY H 118 37.892 19.657 4.858 1.00 14.32 H new ATOM 0 HA2 GLY H 118 36.926 20.854 2.712 1.00 14.49 H new ATOM 0 HA3 GLY H 118 36.651 21.291 4.183 1.00 14.49 H new ATOM 937 N GLN H 119 37.851 23.304 2.863 1.00 14.04 N ANISOU 937 N GLN H 119 2298 1786 1251 695 104 24 N ATOM 938 CA GLN H 119 38.723 24.438 2.560 1.00 14.66 C ANISOU 938 CA GLN H 119 2471 1781 1320 725 267 77 C ATOM 939 C GLN H 119 38.896 25.352 3.784 1.00 13.93 C ANISOU 939 C GLN H 119 2266 1699 1327 640 311 87 C ATOM 940 O GLN H 119 39.679 26.309 3.738 1.00 17.31 O ANISOU 940 O GLN H 119 2732 2048 1798 633 458 111 O ATOM 941 CB GLN H 119 38.202 25.220 1.341 1.00 16.00 C ANISOU 941 CB GLN H 119 2848 1899 1331 888 287 94 C ATOM 942 CG GLN H 119 37.154 26.302 1.649 1.00 17.42 C ANISOU 942 CG GLN H 119 3035 2112 1471 946 226 88 C ATOM 943 CD GLN H 119 35.747 25.770 1.895 1.00 17.04 C ANISOU 943 CD GLN H 119 2883 2174 1419 968 13 8 C ATOM 944 OE1 GLN H 119 35.544 24.559 2.066 1.00 16.98 O ANISOU 944 OE1 GLN H 119 2770 2217 1467 904 -79 -43 O ATOM 945 NE2 GLN H 119 34.763 26.673 1.902 1.00 17.18 N ANISOU 945 NE2 GLN H 119 2924 2216 1388 1058 -55 -14 N ATOM 0 H GLN H 119 37.023 23.425 2.663 1.00 14.04 H new ATOM 0 HA GLN H 119 39.600 24.089 2.335 1.00 14.66 H new ATOM 0 HB2 GLN H 119 38.957 25.639 0.898 1.00 16.00 H new ATOM 0 HB3 GLN H 119 37.818 24.590 0.712 1.00 16.00 H new ATOM 0 HG2 GLN H 119 37.440 26.800 2.431 1.00 17.42 H new ATOM 0 HG3 GLN H 119 37.126 26.928 0.909 1.00 17.42 H new ATOM 0 HE21 GLN H 119 34.942 27.505 1.780 1.00 17.18 H new ATOM 0 HE22 GLN H 119 33.950 26.422 2.029 1.00 17.18 H new ATOM 946 N GLY H 120 38.179 25.052 4.866 1.00 13.41 N ANISOU 946 N GLY H 120 2072 1718 1306 576 201 60 N ATOM 947 CA GLY H 120 38.259 25.869 6.069 1.00 13.49 C ANISOU 947 CA GLY H 120 1995 1743 1388 512 224 60 C ATOM 948 C GLY H 120 37.265 27.009 6.106 1.00 14.48 C ANISOU 948 C GLY H 120 2155 1881 1464 568 211 63 C ATOM 949 O GLY H 120 36.894 27.575 5.072 1.00 16.20 O ANISOU 949 O GLY H 120 2500 2062 1592 675 230 78 O ATOM 0 H GLY H 120 37.643 24.382 4.921 1.00 13.41 H new ATOM 0 HA2 GLY H 120 38.117 25.303 6.843 1.00 13.49 H new ATOM 0 HA3 GLY H 120 39.156 26.231 6.144 1.00 13.49 H new ATOM 950 N THR H 121 36.854 27.321 7.327 1.00 14.34 N ANISOU 950 N THR H 121 2041 1911 1497 510 178 48 N ATOM 951 CA THR H 121 35.959 28.429 7.629 1.00 13.52 C ANISOU 951 CA THR H 121 1944 1822 1370 549 171 45 C ATOM 952 C THR H 121 36.624 29.300 8.678 1.00 12.60 C ANISOU 952 C THR H 121 1783 1681 1324 487 240 43 C ATOM 953 O THR H 121 36.936 28.831 9.781 1.00 14.19 O ANISOU 953 O THR H 121 1900 1915 1574 416 208 22 O ATOM 954 CB THR H 121 34.637 27.907 8.204 1.00 14.65 C ANISOU 954 CB THR H 121 1998 2047 1521 538 68 7 C ATOM 955 OG1 THR H 121 33.994 27.054 7.245 1.00 16.87 O ANISOU 955 OG1 THR H 121 2291 2349 1769 592 -16 -27 O ATOM 956 CG2 THR H 121 33.705 29.061 8.575 1.00 18.45 C ANISOU 956 CG2 THR H 121 2470 2545 1994 583 63 -6 C ATOM 0 H THR H 121 37.096 26.880 8.025 1.00 14.34 H new ATOM 0 HA THR H 121 35.779 28.928 6.817 1.00 13.52 H new ATOM 0 HB THR H 121 34.833 27.403 9.009 1.00 14.65 H new ATOM 0 HG1 THR H 121 33.535 27.520 6.718 1.00 16.87 H new ATOM 0 HG21 THR H 121 32.878 28.706 8.936 1.00 18.45 H new ATOM 0 HG22 THR H 121 34.133 29.622 9.241 1.00 18.45 H new ATOM 0 HG23 THR H 121 33.512 29.589 7.784 1.00 18.45 H new ATOM 957 N THR H 122 36.838 30.569 8.344 1.00 14.66 N ANISOU 957 N THR H 122 2115 1871 1582 525 333 56 N ATOM 958 CA THR H 122 37.410 31.505 9.296 1.00 15.02 C ANISOU 958 CA THR H 122 2112 1883 1713 468 394 30 C ATOM 959 C THR H 122 36.349 31.978 10.288 1.00 15.80 C ANISOU 959 C THR H 122 2168 2046 1789 471 329 15 C ATOM 960 O THR H 122 35.281 32.451 9.888 1.00 16.29 O ANISOU 960 O THR H 122 2277 2123 1788 546 309 31 O ATOM 961 CB THR H 122 38.024 32.700 8.576 1.00 16.83 C ANISOU 961 CB THR H 122 2438 1985 1971 497 553 45 C ATOM 962 OG1 THR H 122 39.052 32.235 7.695 1.00 20.79 O ANISOU 962 OG1 THR H 122 2979 2411 2508 488 649 55 O ATOM 963 CG2 THR H 122 38.623 33.679 9.577 1.00 20.84 C ANISOU 963 CG2 THR H 122 2873 2447 2598 427 612 -12 C ATOM 0 H THR H 122 36.658 30.904 7.573 1.00 14.66 H new ATOM 0 HA THR H 122 38.111 31.046 9.785 1.00 15.02 H new ATOM 0 HB THR H 122 37.331 33.156 8.073 1.00 16.83 H new ATOM 0 HG1 THR H 122 39.753 32.681 7.822 1.00 20.79 H new ATOM 0 HG21 THR H 122 39.009 34.432 9.102 1.00 20.84 H new ATOM 0 HG22 THR H 122 37.928 33.996 10.175 1.00 20.84 H new ATOM 0 HG23 THR H 122 39.314 33.234 10.092 1.00 20.84 H new ATOM 964 N VAL H 123 36.636 31.819 11.576 1.00 14.17 N ANISOU 964 N VAL H 123 1880 1875 1629 407 292 -24 N ATOM 965 CA VAL H 123 35.808 32.399 12.633 1.00 14.90 C ANISOU 965 CA VAL H 123 1950 2008 1705 409 265 -41 C ATOM 966 C VAL H 123 36.655 33.414 13.377 1.00 16.85 C ANISOU 966 C VAL H 123 2180 2201 2020 378 308 -94 C ATOM 967 O VAL H 123 37.714 33.076 13.904 1.00 16.87 O ANISOU 967 O VAL H 123 2134 2193 2084 336 281 -147 O ATOM 968 CB VAL H 123 35.291 31.329 13.610 1.00 15.62 C ANISOU 968 CB VAL H 123 1997 2171 1765 382 196 -45 C ATOM 969 CG1 VAL H 123 34.526 31.982 14.761 1.00 18.53 C ANISOU 969 CG1 VAL H 123 2362 2564 2113 388 203 -63 C ATOM 970 CG2 VAL H 123 34.414 30.332 12.864 1.00 18.88 C ANISOU 970 CG2 VAL H 123 2400 2622 2152 397 164 -20 C ATOM 0 H VAL H 123 37.313 31.374 11.863 1.00 14.17 H new ATOM 0 HA VAL H 123 35.029 32.817 12.235 1.00 14.90 H new ATOM 0 HB VAL H 123 36.046 30.852 13.989 1.00 15.62 H new ATOM 0 HG11 VAL H 123 34.207 31.296 15.368 1.00 18.53 H new ATOM 0 HG12 VAL H 123 35.114 32.587 15.239 1.00 18.53 H new ATOM 0 HG13 VAL H 123 33.771 32.478 14.408 1.00 18.53 H new ATOM 0 HG21 VAL H 123 34.090 29.659 13.483 1.00 18.88 H new ATOM 0 HG22 VAL H 123 33.660 30.797 12.468 1.00 18.88 H new ATOM 0 HG23 VAL H 123 34.933 29.904 12.165 1.00 18.88 H new ATOM 971 N THR H 124 36.204 34.665 13.397 1.00 14.62 N ANISOU 971 N THR H 124 1935 1880 1740 406 364 -97 N ATOM 972 CA THR H 124 36.936 35.713 14.093 1.00 15.64 C ANISOU 972 CA THR H 124 2043 1946 1953 372 409 -167 C ATOM 973 C THR H 124 36.120 36.134 15.300 1.00 16.07 C ANISOU 973 C THR H 124 2093 2053 1959 388 360 -191 C ATOM 974 O THR H 124 34.956 36.505 15.153 1.00 17.34 O ANISOU 974 O THR H 124 2290 2238 2060 437 374 -149 O ATOM 975 CB THR H 124 37.170 36.932 13.187 1.00 17.13 C ANISOU 975 CB THR H 124 2303 2013 2193 392 551 -153 C ATOM 976 OG1 THR H 124 37.914 36.534 12.028 1.00 21.06 O ANISOU 976 OG1 THR H 124 2834 2444 2723 387 631 -122 O ATOM 977 CG2 THR H 124 37.943 38.006 13.928 1.00 22.57 C ANISOU 977 CG2 THR H 124 2948 2619 3007 339 608 -250 C ATOM 0 H THR H 124 35.479 34.925 13.015 1.00 14.62 H new ATOM 0 HA THR H 124 37.804 35.370 14.358 1.00 15.64 H new ATOM 0 HB THR H 124 36.308 37.289 12.922 1.00 17.13 H new ATOM 0 HG1 THR H 124 37.399 36.164 11.477 1.00 21.06 H new ATOM 0 HG21 THR H 124 38.082 38.767 13.343 1.00 22.57 H new ATOM 0 HG22 THR H 124 37.440 38.286 14.709 1.00 22.57 H new ATOM 0 HG23 THR H 124 38.802 37.652 14.207 1.00 22.57 H new ATOM 978 N VAL H 125 36.719 36.054 16.489 1.00 14.74 N ANISOU 978 N VAL H 125 1887 1901 1812 362 296 -269 N ATOM 979 CA VAL H 125 36.066 36.525 17.711 1.00 16.28 C ANISOU 979 CA VAL H 125 2108 2131 1949 388 265 -300 C ATOM 980 C VAL H 125 36.592 37.917 18.017 1.00 17.21 C ANISOU 980 C VAL H 125 2217 2167 2155 376 306 -387 C ATOM 981 O VAL H 125 37.797 38.112 18.219 1.00 18.62 O ANISOU 981 O VAL H 125 2338 2294 2443 339 282 -489 O ATOM 982 CB VAL H 125 36.309 35.559 18.896 1.00 15.53 C ANISOU 982 CB VAL H 125 2026 2095 1781 404 163 -333 C ATOM 983 CG1 VAL H 125 35.613 36.069 20.155 1.00 16.46 C ANISOU 983 CG1 VAL H 125 2207 2232 1814 447 156 -360 C ATOM 984 CG2 VAL H 125 35.817 34.159 18.543 1.00 18.23 C ANISOU 984 CG2 VAL H 125 2379 2489 2058 404 153 -248 C ATOM 0 H VAL H 125 37.506 35.729 16.609 1.00 14.74 H new ATOM 0 HA VAL H 125 35.106 36.555 17.578 1.00 16.28 H new ATOM 0 HB VAL H 125 37.262 35.518 19.071 1.00 15.53 H new ATOM 0 HG11 VAL H 125 35.775 35.453 20.887 1.00 16.46 H new ATOM 0 HG12 VAL H 125 35.962 36.944 20.386 1.00 16.46 H new ATOM 0 HG13 VAL H 125 34.659 36.134 19.993 1.00 16.46 H new ATOM 0 HG21 VAL H 125 35.974 33.562 19.292 1.00 18.23 H new ATOM 0 HG22 VAL H 125 34.867 34.189 18.348 1.00 18.23 H new ATOM 0 HG23 VAL H 125 36.296 33.834 17.765 1.00 18.23 H new ATOM 985 N SER H 126 35.680 38.887 18.022 1.00 16.92 N ANISOU 985 N SER H 126 2228 2111 2092 407 371 -361 N ATOM 986 CA SER H 126 36.025 40.293 18.202 1.00 18.08 C ANISOU 986 CA SER H 126 2383 2161 2325 396 437 -433 C ATOM 987 C SER H 126 36.729 40.539 19.531 1.00 20.21 C ANISOU 987 C SER H 126 2619 2431 2628 382 348 -572 C ATOM 988 O SER H 126 36.452 39.857 20.518 1.00 18.15 O ANISOU 988 O SER H 126 2384 2254 2258 420 248 -582 O ATOM 989 CB SER H 126 34.764 41.160 18.100 1.00 20.58 C ANISOU 989 CB SER H 126 2768 2472 2580 456 503 -376 C ATOM 990 OG SER H 126 34.146 40.960 16.835 1.00 28.35 O ANISOU 990 OG SER H 126 3789 3454 3527 500 550 -273 O ATOM 0 H SER H 126 34.838 38.745 17.920 1.00 16.92 H new ATOM 0 HA SER H 126 36.643 40.538 17.496 1.00 18.08 H new ATOM 0 HB2 SER H 126 34.146 40.932 18.812 1.00 20.58 H new ATOM 0 HB3 SER H 126 34.994 42.096 18.213 1.00 20.58 H new ATOM 0 HG SER H 126 33.375 41.294 16.843 1.00 28.35 H new ATOM 991 N SER H 127 37.628 41.520 19.561 1.00 20.89 N ANISOU 991 N SER H 127 2659 2410 2867 338 391 -688 N ATOM 992 CA SER H 127 38.423 41.797 20.758 1.00 20.54 C ANISOU 992 CA SER H 127 2564 2359 2882 336 275 -864 C ATOM 993 C SER H 127 37.592 42.377 21.897 1.00 21.07 C ANISOU 993 C SER H 127 2716 2462 2829 399 232 -889 C ATOM 994 O SER H 127 36.900 43.381 21.732 1.00 21.86 O ANISOU 994 O SER H 127 2865 2510 2933 405 339 -855 O ATOM 995 CB SER H 127 39.568 42.755 20.428 1.00 23.82 C ANISOU 995 CB SER H 127 2880 2630 3543 257 351 -1009 C ATOM 996 OG SER H 127 40.361 42.246 19.373 1.00 31.88 O ANISOU 996 OG SER H 127 3827 3600 4685 199 425 -988 O ATOM 0 H SER H 127 37.794 42.040 18.896 1.00 20.89 H new ATOM 0 HA SER H 127 38.777 40.945 21.057 1.00 20.54 H new ATOM 0 HB2 SER H 127 39.209 43.621 20.179 1.00 23.82 H new ATOM 0 HB3 SER H 127 40.118 42.891 21.215 1.00 23.82 H new ATOM 0 HG SER H 127 40.339 42.778 18.724 1.00 31.88 H new ATOM 997 N GLY H 128 37.690 41.750 23.066 1.00 21.15 N ANISOU 997 N GLY H 128 2763 2550 2722 463 82 -952 N ATOM 998 CA GLY H 128 36.957 42.188 24.236 1.00 20.09 C ANISOU 998 CA GLY H 128 2738 2446 2450 539 49 -979 C ATOM 999 C GLY H 128 37.859 42.715 25.336 1.00 22.20 C ANISOU 999 C GLY H 128 2996 2683 2756 580 -98 -1194 C ATOM 1000 O GLY H 128 37.414 42.939 26.457 1.00 24.85 O ANISOU 1000 O GLY H 128 3450 3046 2946 668 -156 -1237 O ATOM 0 H GLY H 128 38.185 41.059 23.198 1.00 21.15 H new ATOM 0 HA2 GLY H 128 36.330 42.882 23.978 1.00 20.09 H new ATOM 0 HA3 GLY H 128 36.434 41.447 24.580 1.00 20.09 H new ATOM 1001 N GLY H 129 39.139 42.906 25.025 1.00 26.47 N ANISOU 1001 N GLY H 129 3396 3162 3502 523 -158 -1346 N ATOM 1002 CA GLY H 129 40.051 43.520 25.975 1.00 31.14 C ANISOU 1002 CA GLY H 129 3936 3711 4185 557 -314 -1597 C ATOM 1003 C GLY H 129 40.994 42.560 26.675 1.00 40.55 C ANISOU 1003 C GLY H 129 5105 4967 5336 648 -553 -1734 C ATOM 1004 O GLY H 129 41.882 42.991 27.418 1.00 48.38 O ANISOU 1004 O GLY H 129 6024 5934 6425 687 -720 -1957 O ATOM 0 H GLY H 129 39.494 42.687 24.273 1.00 26.47 H new ATOM 0 HA2 GLY H 129 40.579 44.188 25.510 1.00 31.14 H new ATOM 0 HA3 GLY H 129 39.530 43.987 26.647 1.00 31.14 H new ATOM 1005 N GLY H 130 40.790 41.264 26.461 1.00 38.19 N ANISOU 1005 N GLY H 130 4867 4751 4892 688 -574 -1586 N ATOM 1006 CA GLY H 130 41.696 40.256 26.982 1.00 53.26 C ANISOU 1006 CA GLY H 130 6767 6713 6756 787 -791 -1693 C ATOM 1007 C GLY H 130 41.214 39.573 28.247 1.00 60.78 C ANISOU 1007 C GLY H 130 7959 7742 7394 969 -921 -1658 C ATOM 1008 O GLY H 130 42.002 38.953 28.964 1.00 60.83 O ANISOU 1008 O GLY H 130 7977 7782 7354 1078 -1110 -1714 O ATOM 0 H GLY H 130 40.127 40.949 26.013 1.00 38.19 H new ATOM 0 HA2 GLY H 130 41.840 39.583 26.299 1.00 53.26 H new ATOM 0 HA3 GLY H 130 42.555 40.670 27.158 1.00 53.26 H new TER 1009 GLY H 130 ATOM 1010 N SER L 2 51.729 20.737 24.728 1.00 41.11 N ANISOU 1010 N SER L 2 5375 5723 4522 -8 891 -613 N ATOM 1011 CA SER L 2 51.329 19.796 23.685 1.00 41.80 C ANISOU 1011 CA SER L 2 5409 5748 4727 42 853 -457 C ATOM 1012 C SER L 2 51.925 18.415 23.939 1.00 39.22 C ANISOU 1012 C SER L 2 5069 5536 4297 23 756 -313 C ATOM 1013 O SER L 2 53.091 18.291 24.325 1.00 32.50 O ANISOU 1013 O SER L 2 4242 4776 3332 -27 674 -323 O ATOM 1014 CB SER L 2 51.758 20.311 22.306 1.00 40.15 C ANISOU 1014 CB SER L 2 5188 5389 4679 65 790 -457 C ATOM 1015 OG SER L 2 51.335 19.438 21.275 1.00 41.92 O ANISOU 1015 OG SER L 2 5364 5555 5010 114 736 -317 O ATOM 0 HA SER L 2 50.362 19.719 23.704 1.00 41.80 H new ATOM 0 HB2 SER L 2 51.385 21.194 22.158 1.00 40.15 H new ATOM 0 HB3 SER L 2 52.723 20.403 22.279 1.00 40.15 H new ATOM 0 HG SER L 2 52.005 19.154 20.856 1.00 41.92 H new ATOM 1016 N ALA L 3 51.121 17.378 23.730 1.00 26.13 N ANISOU 1016 N ALA L 3 3365 3868 2695 61 764 -175 N ATOM 1017 CA ALA L 3 51.626 16.015 23.819 1.00 33.13 C ANISOU 1017 CA ALA L 3 4232 4822 3536 53 677 -24 C ATOM 1018 C ALA L 3 52.729 15.794 22.786 1.00 29.33 C ANISOU 1018 C ALA L 3 3747 4275 3124 56 557 0 C ATOM 1019 O ALA L 3 53.745 15.156 23.084 1.00 31.35 O ANISOU 1019 O ALA L 3 4002 4608 3303 34 476 63 O ATOM 1020 CB ALA L 3 50.493 15.004 23.631 1.00 36.51 C ANISOU 1020 CB ALA L 3 4604 5212 4058 88 714 107 C ATOM 0 H ALA L 3 50.285 17.442 23.537 1.00 26.13 H new ATOM 0 HA ALA L 3 52.001 15.881 24.703 1.00 33.13 H new ATOM 0 HB1 ALA L 3 50.849 14.104 23.693 1.00 36.51 H new ATOM 0 HB2 ALA L 3 49.824 15.135 24.321 1.00 36.51 H new ATOM 0 HB3 ALA L 3 50.087 15.131 22.759 1.00 36.51 H new ATOM 1021 N LEU L 4 52.531 16.344 21.584 1.00 23.61 N ANISOU 1021 N LEU L 4 3013 3415 2543 87 551 -42 N ATOM 1022 CA LEU L 4 53.459 16.167 20.469 1.00 20.57 C ANISOU 1022 CA LEU L 4 2622 2965 2229 95 457 -21 C ATOM 1023 C LEU L 4 54.213 17.457 20.167 1.00 20.74 C ANISOU 1023 C LEU L 4 2674 2951 2256 72 453 -138 C ATOM 1024 O LEU L 4 53.610 18.497 19.886 1.00 22.57 O ANISOU 1024 O LEU L 4 2915 3103 2556 85 517 -215 O ATOM 1025 CB LEU L 4 52.712 15.714 19.212 1.00 18.88 C ANISOU 1025 CB LEU L 4 2373 2639 2161 143 443 36 C ATOM 1026 CG LEU L 4 52.386 14.226 19.047 1.00 22.87 C ANISOU 1026 CG LEU L 4 2841 3141 2709 158 407 155 C ATOM 1027 CD1 LEU L 4 51.797 13.564 20.281 1.00 27.15 C ANISOU 1027 CD1 LEU L 4 3368 3763 3184 143 458 224 C ATOM 1028 CD2 LEU L 4 51.507 14.009 17.826 1.00 18.31 C ANISOU 1028 CD2 LEU L 4 2230 2461 2267 191 395 172 C ATOM 0 H LEU L 4 51.849 16.833 21.395 1.00 23.61 H new ATOM 0 HA LEU L 4 54.097 15.485 20.729 1.00 20.57 H new ATOM 0 HB2 LEU L 4 51.876 16.204 19.174 1.00 18.88 H new ATOM 0 HB3 LEU L 4 53.237 15.987 18.443 1.00 18.88 H new ATOM 0 HG LEU L 4 53.238 13.782 18.915 1.00 22.87 H new ATOM 0 HD11 LEU L 4 51.620 12.629 20.094 1.00 27.15 H new ATOM 0 HD12 LEU L 4 52.426 13.633 21.017 1.00 27.15 H new ATOM 0 HD13 LEU L 4 50.968 14.007 20.522 1.00 27.15 H new ATOM 0 HD21 LEU L 4 51.309 13.064 17.734 1.00 18.31 H new ATOM 0 HD22 LEU L 4 50.679 14.504 17.931 1.00 18.31 H new ATOM 0 HD23 LEU L 4 51.971 14.320 17.033 1.00 18.31 H new ATOM 1029 N THR L 5 55.537 17.380 20.222 1.00 15.09 N ANISOU 1029 N THR L 5 1964 2286 1485 37 380 -142 N ATOM 1030 CA ATHR L 5 56.402 18.536 20.018 0.50 15.54 C ANISOU 1030 CA ATHR L 5 2039 2314 1551 -2 370 -247 C ATOM 1031 CA BTHR L 5 56.360 18.555 19.968 0.50 15.48 C ANISOU 1031 CA BTHR L 5 2031 2300 1550 0 372 -247 C ATOM 1032 C THR L 5 57.287 18.303 18.798 1.00 16.17 C ANISOU 1032 C THR L 5 2095 2336 1712 14 304 -197 C ATOM 1033 O THR L 5 57.786 17.198 18.598 1.00 16.44 O ANISOU 1033 O THR L 5 2101 2407 1737 31 244 -106 O ATOM 1034 CB ATHR L 5 57.297 18.758 21.255 0.50 18.16 C ANISOU 1034 CB ATHR L 5 2385 2780 1734 -73 340 -311 C ATOM 1035 CB BTHR L 5 57.199 18.959 21.193 0.50 20.29 C ANISOU 1035 CB BTHR L 5 2660 3032 2018 -73 352 -329 C ATOM 1036 OG1ATHR L 5 56.489 18.746 22.440 0.50 19.84 O ANISOU 1036 OG1ATHR L 5 2623 3080 1836 -86 404 -344 O ATOM 1037 OG1BTHR L 5 58.201 17.966 21.432 0.50 22.56 O ANISOU 1037 OG1BTHR L 5 2914 3420 2235 -86 257 -236 O ATOM 1038 CG2ATHR L 5 58.044 20.086 21.164 0.50 17.39 C ANISOU 1038 CG2ATHR L 5 2304 2640 1662 -130 343 -446 C ATOM 1039 CG2BTHR L 5 56.318 19.114 22.427 0.50 18.73 C ANISOU 1039 CG2BTHR L 5 2492 2915 1711 -88 430 -383 C ATOM 0 H ATHR L 5 55.963 16.650 20.380 0.50 15.09 H new ATOM 0 H BTHR L 5 55.976 16.663 20.403 0.50 15.09 H new ATOM 0 HA ATHR L 5 55.848 19.320 19.879 0.50 15.48 H new ATOM 0 HA BTHR L 5 55.752 19.283 19.765 0.50 15.48 H new ATOM 0 HB ATHR L 5 57.950 18.041 21.290 0.50 20.29 H new ATOM 0 HB BTHR L 5 57.622 19.813 21.013 0.50 20.29 H new ATOM 0 HG1ATHR L 5 56.485 17.973 22.768 0.50 22.56 H new ATOM 0 HG1BTHR L 5 57.911 17.402 21.983 0.50 22.56 H new ATOM 0 HG21ATHR L 5 58.598 20.201 21.952 0.50 18.73 H new ATOM 0 HG21BTHR L 5 56.866 19.368 23.186 0.50 18.73 H new ATOM 0 HG22ATHR L 5 58.604 20.089 20.372 0.50 18.73 H new ATOM 0 HG22BTHR L 5 55.652 19.800 22.265 0.50 18.73 H new ATOM 0 HG23ATHR L 5 57.405 20.814 21.110 0.50 18.73 H new ATOM 0 HG23BTHR L 5 55.875 18.272 22.616 0.50 18.73 H new ATOM 1040 N GLN L 6 57.490 19.338 17.993 1.00 14.55 N ANISOU 1040 N GLN L 6 1898 2038 1593 10 324 -252 N ATOM 1041 CA GLN L 6 58.361 19.276 16.826 1.00 12.77 C ANISOU 1041 CA GLN L 6 1651 1767 1432 20 280 -211 C ATOM 1042 C GLN L 6 59.350 20.437 16.881 1.00 13.00 C ANISOU 1042 C GLN L 6 1683 1778 1478 -41 282 -293 C ATOM 1043 O GLN L 6 59.078 21.439 17.533 1.00 15.05 O ANISOU 1043 O GLN L 6 1968 2013 1736 -79 331 -393 O ATOM 1044 CB GLN L 6 57.544 19.425 15.537 1.00 12.69 C ANISOU 1044 CB GLN L 6 1643 1655 1523 77 307 -168 C ATOM 1045 CG GLN L 6 56.466 18.370 15.334 1.00 12.75 C ANISOU 1045 CG GLN L 6 1641 1665 1541 128 301 -99 C ATOM 1046 CD GLN L 6 55.570 18.683 14.152 1.00 12.81 C ANISOU 1046 CD GLN L 6 1643 1590 1635 174 317 -68 C ATOM 1047 OE1 GLN L 6 54.344 18.663 14.264 1.00 14.67 O ANISOU 1047 OE1 GLN L 6 1868 1801 1906 201 347 -56 O ATOM 1048 NE2 GLN L 6 56.177 19.000 13.007 1.00 15.01 N ANISOU 1048 NE2 GLN L 6 1922 1835 1947 182 297 -48 N ATOM 0 H GLN L 6 57.121 20.106 18.110 1.00 14.55 H new ATOM 0 HA GLN L 6 58.819 18.421 16.830 1.00 12.77 H new ATOM 0 HB2 GLN L 6 57.126 20.300 15.534 1.00 12.69 H new ATOM 0 HB3 GLN L 6 58.151 19.398 14.781 1.00 12.69 H new ATOM 0 HG2 GLN L 6 56.884 17.505 15.200 1.00 12.75 H new ATOM 0 HG3 GLN L 6 55.927 18.303 16.137 1.00 12.75 H new ATOM 0 HE21 GLN L 6 57.036 19.004 12.963 1.00 15.01 H new ATOM 0 HE22 GLN L 6 55.709 19.200 12.313 1.00 15.01 H new ATOM 1049 N PRO L 7 60.477 20.321 16.161 1.00 12.72 N ANISOU 1049 N PRO L 7 1615 1743 1473 -52 240 -258 N ATOM 1050 CA PRO L 7 61.307 21.519 15.973 1.00 14.32 C ANISOU 1050 CA PRO L 7 1811 1898 1731 -111 254 -324 C ATOM 1051 C PRO L 7 60.482 22.613 15.310 1.00 13.95 C ANISOU 1051 C PRO L 7 1793 1717 1789 -90 330 -345 C ATOM 1052 O PRO L 7 59.597 22.325 14.500 1.00 14.51 O ANISOU 1052 O PRO L 7 1874 1741 1898 -22 349 -275 O ATOM 1053 CB PRO L 7 62.408 21.044 15.020 1.00 14.20 C ANISOU 1053 CB PRO L 7 1748 1897 1750 -101 215 -249 C ATOM 1054 CG PRO L 7 61.838 19.805 14.341 1.00 15.97 C ANISOU 1054 CG PRO L 7 1974 2129 1963 -19 203 -157 C ATOM 1055 CD PRO L 7 61.016 19.158 15.434 1.00 12.39 C ANISOU 1055 CD PRO L 7 1540 1731 1436 -10 191 -162 C ATOM 0 HA PRO L 7 61.653 21.882 16.803 1.00 14.32 H new ATOM 0 HB2 PRO L 7 62.629 21.729 14.370 1.00 14.20 H new ATOM 0 HB3 PRO L 7 63.224 20.836 15.502 1.00 14.20 H new ATOM 0 HG2 PRO L 7 61.293 20.036 13.572 1.00 15.97 H new ATOM 0 HG3 PRO L 7 62.540 19.215 14.024 1.00 15.97 H new ATOM 0 HD2 PRO L 7 60.310 18.600 15.072 1.00 12.39 H new ATOM 0 HD3 PRO L 7 61.558 18.594 16.007 1.00 12.39 H new ATOM 1056 N ALA L 8 60.769 23.866 15.628 1.00 15.55 N ANISOU 1056 N ALA L 8 2006 1854 2050 -151 369 -438 N ATOM 1057 CA ALA L 8 60.003 24.958 15.048 1.00 14.98 C ANISOU 1057 CA ALA L 8 1955 1636 2103 -125 447 -446 C ATOM 1058 C ALA L 8 60.343 25.147 13.582 1.00 16.45 C ANISOU 1058 C ALA L 8 2119 1757 2373 -94 451 -334 C ATOM 1059 O ALA L 8 59.481 25.520 12.783 1.00 15.12 O ANISOU 1059 O ALA L 8 1960 1505 2279 -34 490 -267 O ATOM 1060 CB ALA L 8 60.249 26.234 15.802 1.00 16.04 C ANISOU 1060 CB ALA L 8 2103 1695 2295 -201 496 -585 C ATOM 0 H ALA L 8 61.393 24.104 16.169 1.00 15.55 H new ATOM 0 HA ALA L 8 59.063 24.729 15.116 1.00 14.98 H new ATOM 0 HB1 ALA L 8 59.732 26.951 15.403 1.00 16.04 H new ATOM 0 HB2 ALA L 8 59.982 26.120 16.728 1.00 16.04 H new ATOM 0 HB3 ALA L 8 61.192 26.456 15.763 1.00 16.04 H new ATOM 1061 N SER L 9 61.599 24.906 13.222 1.00 15.35 N ANISOU 1061 N SER L 9 1946 1668 2220 -133 411 -305 N ATOM 1062 CA SER L 9 62.019 25.208 11.862 1.00 14.86 C ANISOU 1062 CA SER L 9 1864 1554 2228 -113 432 -203 C ATOM 1063 C SER L 9 63.254 24.447 11.452 1.00 15.33 C ANISOU 1063 C SER L 9 1878 1706 2240 -129 388 -158 C ATOM 1064 O SER L 9 64.061 24.041 12.291 1.00 15.30 O ANISOU 1064 O SER L 9 1843 1783 2187 -178 341 -213 O ATOM 1065 CB SER L 9 62.283 26.708 11.720 1.00 17.90 C ANISOU 1065 CB SER L 9 2246 1805 2751 -166 495 -231 C ATOM 1066 OG SER L 9 63.294 27.133 12.621 1.00 21.05 O ANISOU 1066 OG SER L 9 2620 2217 3161 -267 479 -341 O ATOM 0 H SER L 9 62.207 24.578 13.734 1.00 15.35 H new ATOM 0 HA SER L 9 61.296 24.932 11.276 1.00 14.86 H new ATOM 0 HB2 SER L 9 62.551 26.908 10.810 1.00 17.90 H new ATOM 0 HB3 SER L 9 61.465 27.201 11.890 1.00 17.90 H new ATOM 0 HG SER L 9 63.425 27.957 12.527 1.00 21.05 H new ATOM 1067 N VAL L 10 63.374 24.248 10.142 1.00 15.19 N ANISOU 1067 N VAL L 10 1853 1685 2233 -82 407 -55 N ATOM 1068 CA AVAL L 10 64.571 23.686 9.520 0.50 15.10 C ANISOU 1068 CA AVAL L 10 1792 1744 2200 -89 396 -7 C ATOM 1069 CA BVAL L 10 64.581 23.706 9.535 0.50 14.71 C ANISOU 1069 CA BVAL L 10 1743 1694 2153 -91 396 -8 C ATOM 1070 C VAL L 10 64.782 24.449 8.219 1.00 16.42 C ANISOU 1070 C VAL L 10 1955 1855 2428 -82 460 86 C ATOM 1071 O VAL L 10 63.818 24.699 7.491 1.00 17.72 O ANISOU 1071 O VAL L 10 2161 1978 2596 -29 483 148 O ATOM 1072 CB AVAL L 10 64.417 22.172 9.195 0.50 15.03 C ANISOU 1072 CB AVAL L 10 1785 1827 2098 -19 356 25 C ATOM 1073 CB BVAL L 10 64.493 22.166 9.300 0.50 16.38 C ANISOU 1073 CB BVAL L 10 1952 2001 2269 -25 353 19 C ATOM 1074 CG1AVAL L 10 65.695 21.628 8.553 0.50 10.58 C ANISOU 1074 CG1AVAL L 10 1164 1326 1529 -18 364 64 C ATOM 1075 CG1BVAL L 10 64.324 21.410 10.604 0.50 26.48 C ANISOU 1075 CG1BVAL L 10 3231 3337 3494 -32 294 -42 C ATOM 1076 CG2AVAL L 10 64.053 21.355 10.439 0.50 18.60 C ANISOU 1076 CG2AVAL L 10 2244 2331 2492 -17 298 -33 C ATOM 1077 CG2BVAL L 10 63.345 21.819 8.401 0.50 17.92 C ANISOU 1077 CG2BVAL L 10 2195 2181 2431 49 363 71 C ATOM 0 H AVAL L 10 62.752 24.439 9.580 0.50 15.19 H new ATOM 0 H BVAL L 10 62.750 24.426 9.577 0.50 15.19 H new ATOM 0 HA AVAL L 10 65.319 23.770 10.132 0.50 14.71 H new ATOM 0 HA BVAL L 10 65.335 23.833 10.132 0.50 14.71 H new ATOM 0 HB AVAL L 10 63.686 22.084 8.564 0.50 16.38 H new ATOM 0 HB BVAL L 10 65.328 21.904 8.882 0.50 16.38 H new ATOM 0 HG11AVAL L 10 65.583 20.685 8.357 0.50 26.48 H new ATOM 0 HG11BVAL L 10 64.273 20.459 10.422 0.50 26.48 H new ATOM 0 HG12AVAL L 10 65.874 22.110 7.730 0.50 26.48 H new ATOM 0 HG12BVAL L 10 65.082 21.588 11.182 0.50 26.48 H new ATOM 0 HG13AVAL L 10 66.439 21.744 9.164 0.50 26.48 H new ATOM 0 HG13BVAL L 10 63.509 21.699 11.043 0.50 26.48 H new ATOM 0 HG21AVAL L 10 63.966 20.420 10.198 0.50 17.92 H new ATOM 0 HG21BVAL L 10 63.314 20.858 8.272 0.50 17.92 H new ATOM 0 HG22AVAL L 10 64.750 21.453 11.106 0.50 17.92 H new ATOM 0 HG22BVAL L 10 62.515 22.118 8.805 0.50 17.92 H new ATOM 0 HG23AVAL L 10 63.212 21.675 10.802 0.50 17.92 H new ATOM 0 HG23BVAL L 10 63.462 22.256 7.543 0.50 17.92 H new ATOM 1078 N SER L 11 66.022 24.836 7.935 1.00 14.56 N ANISOU 1078 N SER L 11 1663 1624 2244 -136 487 107 N ATOM 1079 CA SER L 11 66.341 25.492 6.668 1.00 15.21 C ANISOU 1079 CA SER L 11 1735 1670 2373 -132 559 216 C ATOM 1080 C SER L 11 67.403 24.687 5.940 1.00 16.81 C ANISOU 1080 C SER L 11 1887 1977 2524 -117 574 261 C ATOM 1081 O SER L 11 68.394 24.266 6.554 1.00 16.81 O ANISOU 1081 O SER L 11 1822 2029 2534 -155 547 211 O ATOM 1082 CB SER L 11 66.850 26.914 6.891 1.00 18.51 C ANISOU 1082 CB SER L 11 2123 1973 2938 -220 608 212 C ATOM 1083 OG SER L 11 65.850 27.716 7.494 1.00 29.49 O ANISOU 1083 OG SER L 11 3561 3249 4395 -225 613 163 O ATOM 0 H SER L 11 66.694 24.729 8.461 1.00 14.56 H new ATOM 0 HA SER L 11 65.530 25.539 6.137 1.00 15.21 H new ATOM 0 HB2 SER L 11 67.639 26.895 7.455 1.00 18.51 H new ATOM 0 HB3 SER L 11 67.116 27.304 6.043 1.00 18.51 H new ATOM 0 HG SER L 11 65.704 27.442 8.275 1.00 29.49 H new ATOM 1084 N ALA L 12 67.209 24.461 4.639 1.00 15.58 N ANISOU 1084 N ALA L 12 1754 1860 2307 -59 619 355 N ATOM 1085 CA ALA L 12 68.118 23.597 3.886 1.00 14.30 C ANISOU 1085 CA ALA L 12 1550 1801 2081 -31 650 381 C ATOM 1086 C ALA L 12 68.101 23.925 2.406 1.00 16.89 C ANISOU 1086 C ALA L 12 1898 2159 2359 0 728 497 C ATOM 1087 O ALA L 12 67.057 24.275 1.864 1.00 17.17 O ANISOU 1087 O ALA L 12 1997 2173 2355 35 724 554 O ATOM 1088 CB ALA L 12 67.737 22.116 4.095 1.00 15.86 C ANISOU 1088 CB ALA L 12 1771 2072 2183 36 591 315 C ATOM 0 H ALA L 12 66.564 24.795 4.179 1.00 15.58 H new ATOM 0 HA ALA L 12 69.016 23.753 4.219 1.00 14.30 H new ATOM 0 HB1 ALA L 12 68.345 21.551 3.592 1.00 15.86 H new ATOM 0 HB2 ALA L 12 67.797 21.896 5.038 1.00 15.86 H new ATOM 0 HB3 ALA L 12 66.829 21.969 3.786 1.00 15.86 H new ATOM 1089 N SER L 13 69.256 23.788 1.763 1.00 17.43 N ANISOU 1089 N SER L 13 1906 2291 2425 -11 800 537 N ATOM 1090 CA ASER L 13 69.360 23.930 0.314 0.50 19.69 C ANISOU 1090 CA ASER L 13 2210 2643 2628 21 886 646 C ATOM 1091 CA BSER L 13 69.355 23.934 0.317 0.50 19.72 C ANISOU 1091 CA BSER L 13 2215 2647 2632 21 885 646 C ATOM 1092 C SER L 13 68.697 22.730 -0.357 1.00 18.79 C ANISOU 1092 C SER L 13 2161 2629 2351 105 860 605 C ATOM 1093 O SER L 13 68.652 21.639 0.217 1.00 18.10 O ANISOU 1093 O SER L 13 2071 2563 2245 135 806 497 O ATOM 1094 CB ASER L 13 70.825 24.026 -0.112 0.50 20.60 C ANISOU 1094 CB ASER L 13 2232 2807 2787 -14 982 688 C ATOM 1095 CB BSER L 13 70.820 24.031 -0.094 0.50 19.78 C ANISOU 1095 CB BSER L 13 2129 2702 2685 -14 981 687 C ATOM 1096 OG ASER L 13 71.411 25.236 0.324 0.50 26.75 O ANISOU 1096 OG ASER L 13 2950 3489 3724 -104 1012 737 O ATOM 1097 OG BSER L 13 71.551 22.916 0.379 0.50 18.44 O ANISOU 1097 OG BSER L 13 1901 2590 2513 7 962 590 O ATOM 0 H ASER L 13 70.001 23.610 2.154 0.50 17.43 H new ATOM 0 H BSER L 13 70.002 23.608 2.152 0.50 17.43 H new ATOM 0 HA ASER L 13 68.910 24.745 0.041 0.50 19.72 H new ATOM 0 HA BSER L 13 68.900 24.745 0.040 0.50 19.72 H new ATOM 0 HB2ASER L 13 71.319 23.275 0.253 0.50 19.78 H new ATOM 0 HB2BSER L 13 70.886 24.080 -1.061 0.50 19.78 H new ATOM 0 HB3ASER L 13 70.887 23.964 -1.078 0.50 19.78 H new ATOM 0 HB3BSER L 13 71.205 24.848 0.258 0.50 19.78 H new ATOM 0 HG ASER L 13 71.776 25.117 1.071 0.50 18.44 H new ATOM 0 HG BSER L 13 71.754 23.035 1.185 0.50 18.44 H new ATOM 1098 N PRO L 14 68.174 22.917 -1.580 1.00 18.93 N ANISOU 1098 N PRO L 14 2232 2710 2251 139 896 693 N ATOM 1099 CA PRO L 14 67.523 21.773 -2.230 1.00 19.50 C ANISOU 1099 CA PRO L 14 2365 2880 2163 205 863 630 C ATOM 1100 C PRO L 14 68.490 20.661 -2.646 1.00 17.87 C ANISOU 1100 C PRO L 14 2127 2766 1897 236 926 550 C ATOM 1101 O PRO L 14 69.702 20.864 -2.715 1.00 22.07 O ANISOU 1101 O PRO L 14 2587 3308 2492 209 1002 570 O ATOM 1102 CB PRO L 14 66.879 22.398 -3.473 1.00 22.17 C ANISOU 1102 CB PRO L 14 2757 3285 2381 223 888 759 C ATOM 1103 CG PRO L 14 67.643 23.654 -3.714 1.00 25.46 C ANISOU 1103 CG PRO L 14 3129 3648 2896 169 951 874 C ATOM 1104 CD PRO L 14 68.052 24.154 -2.373 1.00 20.14 C ANISOU 1104 CD PRO L 14 2395 2845 2411 117 956 854 C ATOM 0 HA PRO L 14 66.903 21.337 -1.625 1.00 19.50 H new ATOM 0 HB2 PRO L 14 66.935 21.801 -4.235 1.00 22.17 H new ATOM 0 HB3 PRO L 14 65.938 22.582 -3.326 1.00 22.17 H new ATOM 0 HG2 PRO L 14 68.418 23.486 -4.273 1.00 25.46 H new ATOM 0 HG3 PRO L 14 67.097 24.309 -4.176 1.00 25.46 H new ATOM 0 HD2 PRO L 14 68.891 24.640 -2.411 1.00 20.14 H new ATOM 0 HD3 PRO L 14 67.391 24.757 -1.998 1.00 20.14 H new ATOM 1105 N GLY L 15 67.952 19.475 -2.908 1.00 17.66 N ANISOU 1105 N GLY L 15 2148 2792 1770 287 885 446 N ATOM 1106 CA GLY L 15 68.766 18.410 -3.466 1.00 18.78 C ANISOU 1106 CA GLY L 15 2270 3007 1859 322 950 357 C ATOM 1107 C GLY L 15 69.476 17.557 -2.431 1.00 20.85 C ANISOU 1107 C GLY L 15 2460 3215 2247 339 944 268 C ATOM 1108 O GLY L 15 70.492 16.920 -2.740 1.00 24.28 O ANISOU 1108 O GLY L 15 2844 3678 2704 357 1006 216 O ATOM 0 H GLY L 15 67.128 19.271 -2.771 1.00 17.66 H new ATOM 0 HA2 GLY L 15 68.202 17.838 -4.010 1.00 18.78 H new ATOM 0 HA3 GLY L 15 69.428 18.800 -4.058 1.00 18.78 H new ATOM 1109 N GLN L 16 68.952 17.555 -1.209 1.00 17.60 N ANISOU 1109 N GLN L 16 2045 2711 1930 321 841 246 N ATOM 1110 CA GLN L 16 69.467 16.708 -0.137 1.00 17.35 C ANISOU 1110 CA GLN L 16 1952 2632 2010 334 804 177 C ATOM 1111 C GLN L 16 68.301 16.158 0.647 1.00 15.74 C ANISOU 1111 C GLN L 16 1801 2369 1811 344 693 124 C ATOM 1112 O GLN L 16 67.150 16.534 0.417 1.00 15.79 O ANISOU 1112 O GLN L 16 1879 2368 1753 336 646 139 O ATOM 1113 CB GLN L 16 70.369 17.510 0.806 1.00 16.59 C ANISOU 1113 CB GLN L 16 1764 2497 2042 277 801 231 C ATOM 1114 CG GLN L 16 69.642 18.577 1.619 1.00 16.62 C ANISOU 1114 CG GLN L 16 1798 2432 2086 216 727 269 C ATOM 1115 CD GLN L 16 70.595 19.384 2.470 1.00 21.12 C ANISOU 1115 CD GLN L 16 2279 2970 2776 145 726 298 C ATOM 1116 OE1 GLN L 16 71.342 18.830 3.278 1.00 20.58 O ANISOU 1116 OE1 GLN L 16 2133 2912 2776 142 694 263 O ATOM 1117 NE2 GLN L 16 70.588 20.700 2.286 1.00 18.57 N ANISOU 1117 NE2 GLN L 16 1959 2608 2489 85 757 364 N ATOM 0 H GLN L 16 68.285 18.046 -0.977 1.00 17.60 H new ATOM 0 HA GLN L 16 69.989 15.989 -0.527 1.00 17.35 H new ATOM 0 HB2 GLN L 16 70.807 16.896 1.417 1.00 16.59 H new ATOM 0 HB3 GLN L 16 71.066 17.936 0.284 1.00 16.59 H new ATOM 0 HG2 GLN L 16 69.163 19.170 1.019 1.00 16.62 H new ATOM 0 HG3 GLN L 16 68.980 18.154 2.188 1.00 16.62 H new ATOM 0 HE21 GLN L 16 70.052 21.051 1.712 1.00 18.57 H new ATOM 0 HE22 GLN L 16 71.120 21.201 2.740 1.00 18.57 H new ATOM 1118 N SER L 17 68.595 15.276 1.597 1.00 14.73 N ANISOU 1118 N SER L 17 1627 2201 1768 363 652 77 N ATOM 1119 CA ASER L 17 67.580 14.736 2.492 0.50 15.52 C ANISOU 1119 CA ASER L 17 1764 2245 1888 368 555 43 C ATOM 1120 CA BSER L 17 67.571 14.743 2.487 0.50 15.47 C ANISOU 1120 CA BSER L 17 1758 2239 1881 367 555 43 C ATOM 1121 C SER L 17 67.501 15.524 3.798 1.00 14.79 C ANISOU 1121 C SER L 17 1647 2115 1859 313 493 84 C ATOM 1122 O SER L 17 68.526 15.927 4.347 1.00 17.07 O ANISOU 1122 O SER L 17 1859 2413 2212 283 503 111 O ATOM 1123 CB ASER L 17 67.894 13.272 2.810 0.50 17.17 C ANISOU 1123 CB ASER L 17 1939 2428 2155 422 549 -17 C ATOM 1124 CB BSER L 17 67.836 13.262 2.785 0.50 17.90 C ANISOU 1124 CB BSER L 17 2036 2521 2245 422 548 -19 C ATOM 1125 OG ASER L 17 66.846 12.679 3.549 0.50 19.89 O ANISOU 1125 OG ASER L 17 2321 2719 2516 425 467 -39 O ATOM 1126 OG BSER L 17 67.628 12.462 1.637 0.50 19.08 O ANISOU 1126 OG BSER L 17 2229 2689 2332 467 597 -93 O ATOM 0 H ASER L 17 69.388 14.975 1.740 0.50 14.73 H new ATOM 0 H BSER L 17 69.386 14.972 1.743 0.50 14.73 H new ATOM 0 HA ASER L 17 66.724 14.806 2.041 0.50 15.47 H new ATOM 0 HA BSER L 17 66.719 14.834 2.033 0.50 15.47 H new ATOM 0 HB2ASER L 17 68.031 12.780 1.985 0.50 17.90 H new ATOM 0 HB2BSER L 17 68.747 13.151 3.099 0.50 17.90 H new ATOM 0 HB3ASER L 17 68.721 13.217 3.314 0.50 17.90 H new ATOM 0 HB3BSER L 17 67.252 12.964 3.500 0.50 17.90 H new ATOM 0 HG ASER L 17 66.934 12.869 4.362 0.50 19.08 H new ATOM 0 HG BSER L 17 67.451 11.675 1.872 0.50 19.08 H new ATOM 1127 N ILE L 18 66.286 15.744 4.291 1.00 12.90 N ANISOU 1127 N ILE L 18 1464 1838 1599 299 430 80 N ATOM 1128 CA ILE L 18 66.102 16.288 5.630 1.00 13.42 C ANISOU 1128 CA ILE L 18 1515 1873 1712 253 375 91 C ATOM 1129 C ILE L 18 65.075 15.452 6.367 1.00 13.33 C ANISOU 1129 C ILE L 18 1535 1833 1695 274 312 64 C ATOM 1130 O ILE L 18 64.283 14.742 5.741 1.00 13.63 O ANISOU 1130 O ILE L 18 1615 1862 1701 310 306 40 O ATOM 1131 CB ILE L 18 65.675 17.776 5.651 1.00 14.21 C ANISOU 1131 CB ILE L 18 1643 1943 1814 203 385 123 C ATOM 1132 CG1 ILE L 18 64.324 17.968 4.957 1.00 14.32 C ANISOU 1132 CG1 ILE L 18 1729 1938 1775 227 376 135 C ATOM 1133 CG2 ILE L 18 66.755 18.655 5.024 1.00 17.00 C ANISOU 1133 CG2 ILE L 18 1954 2311 2194 170 452 165 C ATOM 1134 CD1 ILE L 18 63.719 19.377 5.155 1.00 17.93 C ANISOU 1134 CD1 ILE L 18 2208 2339 2265 192 383 173 C ATOM 0 H ILE L 18 65.556 15.585 3.866 1.00 12.90 H new ATOM 0 HA ILE L 18 66.967 16.250 6.068 1.00 13.42 H new ATOM 0 HB ILE L 18 65.569 18.050 6.575 1.00 14.21 H new ATOM 0 HG12 ILE L 18 64.430 17.801 4.007 1.00 14.32 H new ATOM 0 HG13 ILE L 18 63.700 17.306 5.293 1.00 14.32 H new ATOM 0 HG21 ILE L 18 66.471 19.582 5.046 1.00 17.00 H new ATOM 0 HG22 ILE L 18 67.581 18.559 5.523 1.00 17.00 H new ATOM 0 HG23 ILE L 18 66.900 18.383 4.104 1.00 17.00 H new ATOM 0 HD11 ILE L 18 62.868 19.432 4.693 1.00 17.93 H new ATOM 0 HD12 ILE L 18 63.583 19.541 6.101 1.00 17.93 H new ATOM 0 HD13 ILE L 18 64.325 20.043 4.796 1.00 17.93 H new ATOM 1135 N THR L 19 65.100 15.531 7.691 1.00 14.43 N ANISOU 1135 N THR L 19 1652 1969 1863 244 266 67 N ATOM 1136 CA THR L 19 64.170 14.785 8.524 1.00 15.67 C ANISOU 1136 CA THR L 19 1831 2107 2016 257 217 61 C ATOM 1137 C THR L 19 63.544 15.731 9.537 1.00 17.27 C ANISOU 1137 C THR L 19 2055 2303 2203 208 195 56 C ATOM 1138 O THR L 19 64.208 16.640 10.043 1.00 16.61 O ANISOU 1138 O THR L 19 1947 2235 2128 159 198 48 O ATOM 1139 CB THR L 19 64.871 13.593 9.222 1.00 17.28 C ANISOU 1139 CB THR L 19 1978 2328 2260 284 188 80 C ATOM 1140 OG1 THR L 19 65.256 12.623 8.240 1.00 20.69 O ANISOU 1140 OG1 THR L 19 2396 2742 2722 339 223 65 O ATOM 1141 CG2 THR L 19 63.950 12.915 10.220 1.00 20.69 C ANISOU 1141 CG2 THR L 19 2428 2745 2689 288 143 97 C ATOM 0 H THR L 19 65.656 16.018 8.131 1.00 14.43 H new ATOM 0 HA THR L 19 63.471 14.410 7.965 1.00 15.67 H new ATOM 0 HB THR L 19 65.646 13.940 9.691 1.00 17.28 H new ATOM 0 HG1 THR L 19 65.054 12.903 7.474 1.00 20.69 H new ATOM 0 HG21 THR L 19 64.416 12.175 10.639 1.00 20.69 H new ATOM 0 HG22 THR L 19 63.682 13.554 10.899 1.00 20.69 H new ATOM 0 HG23 THR L 19 63.163 12.582 9.760 1.00 20.69 H new ATOM 1142 N ILE L 20 62.253 15.553 9.800 1.00 12.50 N ANISOU 1142 N ILE L 20 1492 1671 1584 219 180 50 N ATOM 1143 CA ILE L 20 61.539 16.353 10.797 1.00 13.51 C ANISOU 1143 CA ILE L 20 1642 1791 1700 183 176 34 C ATOM 1144 C ILE L 20 61.061 15.408 11.888 1.00 13.21 C ANISOU 1144 C ILE L 20 1597 1776 1644 189 144 48 C ATOM 1145 O ILE L 20 60.476 14.371 11.593 1.00 13.08 O ANISOU 1145 O ILE L 20 1585 1740 1645 226 133 69 O ATOM 1146 CB ILE L 20 60.321 17.053 10.163 1.00 14.61 C ANISOU 1146 CB ILE L 20 1822 1880 1849 195 200 32 C ATOM 1147 CG1 ILE L 20 60.774 17.993 9.050 1.00 20.53 C ANISOU 1147 CG1 ILE L 20 2578 2610 2614 192 234 48 C ATOM 1148 CG2 ILE L 20 59.494 17.801 11.218 1.00 16.88 C ANISOU 1148 CG2 ILE L 20 2126 2147 2140 170 214 5 C ATOM 1149 CD1 ILE L 20 59.625 18.557 8.249 1.00 25.52 C ANISOU 1149 CD1 ILE L 20 3239 3203 3256 217 246 76 C ATOM 0 H ILE L 20 61.764 14.965 9.406 1.00 12.50 H new ATOM 0 HA ILE L 20 62.129 17.035 11.155 1.00 13.51 H new ATOM 0 HB ILE L 20 59.747 16.373 9.777 1.00 14.61 H new ATOM 0 HG12 ILE L 20 61.281 18.724 9.437 1.00 20.53 H new ATOM 0 HG13 ILE L 20 61.373 17.516 8.455 1.00 20.53 H new ATOM 0 HG21 ILE L 20 58.736 18.230 10.791 1.00 16.88 H new ATOM 0 HG22 ILE L 20 59.175 17.173 11.885 1.00 16.88 H new ATOM 0 HG23 ILE L 20 60.047 18.473 11.646 1.00 16.88 H new ATOM 0 HD11 ILE L 20 59.969 19.145 7.559 1.00 25.52 H new ATOM 0 HD12 ILE L 20 59.130 17.831 7.838 1.00 25.52 H new ATOM 0 HD13 ILE L 20 59.036 19.058 8.835 1.00 25.52 H new ATOM 1150 N SER L 21 61.304 15.761 13.144 1.00 11.66 N ANISOU 1150 N SER L 21 1391 1626 1411 148 130 36 N ATOM 1151 CA SER L 21 60.951 14.896 14.265 1.00 11.65 C ANISOU 1151 CA SER L 21 1382 1669 1375 151 103 71 C ATOM 1152 C SER L 21 59.650 15.319 14.927 1.00 12.74 C ANISOU 1152 C SER L 21 1557 1799 1484 138 133 48 C ATOM 1153 O SER L 21 59.206 16.460 14.806 1.00 13.65 O ANISOU 1153 O SER L 21 1699 1880 1606 120 171 -8 O ATOM 1154 CB SER L 21 62.056 14.893 15.316 1.00 14.35 C ANISOU 1154 CB SER L 21 1684 2102 1667 113 60 83 C ATOM 1155 OG SER L 21 63.297 14.489 14.754 1.00 16.66 O ANISOU 1155 OG SER L 21 1923 2404 2004 129 37 112 O ATOM 0 H SER L 21 61.675 16.503 13.371 1.00 11.66 H new ATOM 0 HA SER L 21 60.838 14.005 13.899 1.00 11.65 H new ATOM 0 HB2 SER L 21 62.145 15.780 15.699 1.00 14.35 H new ATOM 0 HB3 SER L 21 61.816 14.294 16.040 1.00 14.35 H new ATOM 0 HG SER L 21 63.890 14.496 15.349 1.00 16.66 H new ATOM 1156 N CYS L 22 59.068 14.383 15.661 1.00 12.98 N ANISOU 1156 N CYS L 22 1582 1856 1494 151 124 98 N ATOM 1157 CA CYS L 22 57.813 14.568 16.368 1.00 14.26 C ANISOU 1157 CA CYS L 22 1766 2023 1631 144 164 91 C ATOM 1158 C CYS L 22 57.892 13.732 17.633 1.00 15.49 C ANISOU 1158 C CYS L 22 1906 2264 1717 132 146 158 C ATOM 1159 O CYS L 22 57.810 12.501 17.574 1.00 16.49 O ANISOU 1159 O CYS L 22 2007 2375 1886 161 125 244 O ATOM 1160 CB CYS L 22 56.686 14.048 15.484 1.00 15.23 C ANISOU 1160 CB CYS L 22 1888 2067 1834 183 178 115 C ATOM 1161 SG CYS L 22 55.065 13.914 16.241 1.00 18.58 S ANISOU 1161 SG CYS L 22 2309 2489 2262 184 230 135 S ATOM 0 H CYS L 22 59.404 13.598 15.764 1.00 12.98 H new ATOM 0 HA CYS L 22 57.651 15.500 16.582 1.00 14.26 H new ATOM 0 HB2 CYS L 22 56.613 14.631 14.712 1.00 15.23 H new ATOM 0 HB3 CYS L 22 56.940 13.172 15.154 1.00 15.23 H new ATOM 1162 N THR L 23 58.040 14.382 18.780 1.00 14.04 N ANISOU 1162 N THR L 23 1736 2169 1428 88 157 120 N ATOM 1163 CA THR L 23 58.197 13.672 20.043 1.00 14.49 C ANISOU 1163 CA THR L 23 1779 2340 1385 72 135 195 C ATOM 1164 C THR L 23 56.903 13.697 20.833 1.00 17.12 C ANISOU 1164 C THR L 23 2135 2702 1669 67 206 199 C ATOM 1165 O THR L 23 56.400 14.767 21.198 1.00 18.35 O ANISOU 1165 O THR L 23 2325 2869 1779 41 265 96 O ATOM 1166 CB THR L 23 59.339 14.272 20.882 1.00 14.57 C ANISOU 1166 CB THR L 23 1786 2472 1280 16 87 152 C ATOM 1167 OG1 THR L 23 60.548 14.230 20.106 1.00 16.47 O ANISOU 1167 OG1 THR L 23 1988 2684 1587 23 29 157 O ATOM 1168 CG2 THR L 23 59.536 13.481 22.168 1.00 18.09 C ANISOU 1168 CG2 THR L 23 2212 3060 1602 1 50 254 C ATOM 0 H THR L 23 58.052 15.239 18.849 1.00 14.04 H new ATOM 0 HA THR L 23 58.423 12.751 19.837 1.00 14.49 H new ATOM 0 HB THR L 23 59.116 15.187 21.116 1.00 14.57 H new ATOM 0 HG1 THR L 23 60.774 13.431 19.982 1.00 16.47 H new ATOM 0 HG21 THR L 23 60.259 13.874 22.682 1.00 18.09 H new ATOM 0 HG22 THR L 23 58.719 13.503 22.690 1.00 18.09 H new ATOM 0 HG23 THR L 23 59.756 12.561 21.952 1.00 18.09 H new ATOM 1169 N GLY L 24 56.360 12.511 21.102 1.00 15.50 N ANISOU 1169 N GLY L 24 1905 2497 1486 91 211 320 N ATOM 1170 CA GLY L 24 55.133 12.400 21.864 1.00 16.72 C ANISOU 1170 CA GLY L 24 2067 2684 1602 87 287 347 C ATOM 1171 C GLY L 24 55.335 11.592 23.126 1.00 17.99 C ANISOU 1171 C GLY L 24 2214 2976 1644 70 276 470 C ATOM 1172 O GLY L 24 56.379 11.695 23.772 1.00 19.98 O ANISOU 1172 O GLY L 24 2468 3343 1780 43 218 481 O ATOM 0 H GLY L 24 56.693 11.760 20.849 1.00 15.50 H new ATOM 0 HA2 GLY L 24 54.812 13.286 22.094 1.00 16.72 H new ATOM 0 HA3 GLY L 24 54.448 11.983 21.318 1.00 16.72 H new ATOM 1173 N THR L 25 54.330 10.796 23.482 1.00 17.27 N ANISOU 1173 N THR L 25 2102 2875 1584 82 331 573 N ATOM 1174 CA THR L 25 54.353 10.028 24.722 1.00 19.77 C ANISOU 1174 CA THR L 25 2406 3322 1785 67 338 717 C ATOM 1175 C THR L 25 53.927 8.593 24.449 1.00 18.02 C ANISOU 1175 C THR L 25 2133 3004 1709 98 336 884 C ATOM 1176 O THR L 25 53.529 8.250 23.329 1.00 16.68 O ANISOU 1176 O THR L 25 1942 2676 1718 123 333 860 O ATOM 1177 CB THR L 25 53.413 10.622 25.798 1.00 25.04 C ANISOU 1177 CB THR L 25 3101 4104 2307 37 444 679 C ATOM 1178 OG1 THR L 25 52.052 10.306 25.481 1.00 25.72 O ANISOU 1178 OG1 THR L 25 3159 4093 2519 56 532 710 O ATOM 1179 CG2 THR L 25 53.574 12.140 25.898 1.00 29.19 C ANISOU 1179 CG2 THR L 25 3680 4672 2740 8 471 474 C ATOM 0 H THR L 25 53.618 10.687 23.012 1.00 17.27 H new ATOM 0 HA THR L 25 55.262 10.061 25.058 1.00 19.77 H new ATOM 0 HB THR L 25 53.651 10.232 26.654 1.00 25.04 H new ATOM 0 HG1 THR L 25 51.823 10.718 24.786 1.00 25.72 H new ATOM 0 HG21 THR L 25 52.975 12.485 26.578 1.00 29.19 H new ATOM 0 HG22 THR L 25 54.490 12.353 26.136 1.00 29.19 H new ATOM 0 HG23 THR L 25 53.360 12.545 25.043 1.00 29.19 H new ATOM 1180 N SER L 26 54.010 7.766 25.482 1.00 19.92 N ANISOU 1180 N SER L 26 2352 3344 1872 91 338 1052 N ATOM 1181 CA SER L 26 53.702 6.347 25.358 1.00 20.34 C ANISOU 1181 CA SER L 26 2352 3284 2091 115 331 1204 C ATOM 1182 C SER L 26 52.235 6.104 25.004 1.00 21.72 C ANISOU 1182 C SER L 26 2506 3355 2391 110 423 1210 C ATOM 1183 O SER L 26 51.884 5.029 24.515 1.00 23.96 O ANISOU 1183 O SER L 26 2743 3500 2859 123 417 1294 O ATOM 1184 CB SER L 26 54.062 5.621 26.651 1.00 22.33 C ANISOU 1184 CB SER L 26 2586 3640 2260 105 303 1327 C ATOM 1185 OG SER L 26 53.270 6.099 27.722 1.00 27.38 O ANISOU 1185 OG SER L 26 3256 4398 2750 69 377 1304 O ATOM 0 H SER L 26 54.246 8.009 26.273 1.00 19.92 H new ATOM 0 HA SER L 26 54.235 5.994 24.629 1.00 20.34 H new ATOM 0 HB2 SER L 26 53.926 4.667 26.542 1.00 22.33 H new ATOM 0 HB3 SER L 26 55.002 5.753 26.852 1.00 22.33 H new ATOM 0 HG SER L 26 52.554 5.661 27.759 1.00 27.38 H new ATOM 1186 N SER L 27 51.376 7.093 25.244 1.00 19.24 N ANISOU 1186 N SER L 27 2216 3099 1994 89 507 1109 N ATOM 1187 CA SER L 27 49.946 6.915 24.994 1.00 19.19 C ANISOU 1187 CA SER L 27 2171 3008 2111 84 594 1114 C ATOM 1188 C SER L 27 49.486 7.452 23.625 1.00 18.15 C ANISOU 1188 C SER L 27 2031 2737 2127 99 581 972 C ATOM 1189 O SER L 27 48.310 7.344 23.277 1.00 19.64 O ANISOU 1189 O SER L 27 2174 2852 2436 94 635 969 O ATOM 1190 CB SER L 27 49.122 7.538 26.125 1.00 26.66 C ANISOU 1190 CB SER L 27 3136 4073 2921 60 689 1071 C ATOM 1191 OG SER L 27 49.283 8.943 26.149 1.00 28.30 O ANISOU 1191 OG SER L 27 3394 4353 3006 57 720 906 O ATOM 0 H SER L 27 51.597 7.866 25.548 1.00 19.24 H new ATOM 0 HA SER L 27 49.792 5.958 24.971 1.00 19.19 H new ATOM 0 HB2 SER L 27 48.185 7.318 26.007 1.00 26.66 H new ATOM 0 HB3 SER L 27 49.397 7.162 26.976 1.00 26.66 H new ATOM 0 HG SER L 27 50.056 9.132 26.417 1.00 28.30 H new ATOM 1192 N ASP L 28 50.403 8.011 22.845 1.00 14.90 N ANISOU 1192 N ASP L 28 1657 2293 1711 116 502 860 N ATOM 1193 CA ASP L 28 50.080 8.441 21.487 1.00 14.24 C ANISOU 1193 CA ASP L 28 1568 2086 1756 132 473 741 C ATOM 1194 C ASP L 28 51.095 7.856 20.503 1.00 16.11 C ANISOU 1194 C ASP L 28 1810 2235 2074 151 375 734 C ATOM 1195 O ASP L 28 50.941 6.700 20.077 1.00 16.28 O ANISOU 1195 O ASP L 28 1795 2159 2232 155 351 806 O ATOM 1196 CB ASP L 28 49.945 9.977 21.386 1.00 16.11 C ANISOU 1196 CB ASP L 28 1844 2363 1916 136 507 592 C ATOM 1197 CG ASP L 28 51.003 10.728 22.189 1.00 17.10 C ANISOU 1197 CG ASP L 28 2025 2611 1863 122 497 542 C ATOM 1198 OD1 ASP L 28 52.170 10.746 21.762 1.00 17.31 O ANISOU 1198 OD1 ASP L 28 2072 2630 1876 126 416 519 O ATOM 1199 OD2 ASP L 28 50.653 11.319 23.231 1.00 24.28 O ANISOU 1199 OD2 ASP L 28 2953 3626 2647 103 574 515 O ATOM 0 H ASP L 28 51.218 8.151 23.081 1.00 14.90 H new ATOM 0 HA ASP L 28 49.207 8.094 21.245 1.00 14.24 H new ATOM 0 HB2 ASP L 28 50.007 10.241 20.455 1.00 16.11 H new ATOM 0 HB3 ASP L 28 49.065 10.240 21.697 1.00 16.11 H new ATOM 1200 N VAL L 29 52.138 8.614 20.177 1.00 15.25 N ANISOU 1200 N VAL L 29 1743 2158 1893 162 329 646 N ATOM 1201 CA VAL L 29 53.142 8.155 19.219 1.00 15.37 C ANISOU 1201 CA VAL L 29 1760 2101 1980 185 253 629 C ATOM 1202 C VAL L 29 53.753 6.810 19.634 1.00 17.02 C ANISOU 1202 C VAL L 29 1937 2291 2239 197 224 766 C ATOM 1203 O VAL L 29 53.943 5.921 18.798 1.00 18.94 O ANISOU 1203 O VAL L 29 2158 2417 2621 218 193 775 O ATOM 1204 CB VAL L 29 54.257 9.191 19.031 1.00 15.31 C ANISOU 1204 CB VAL L 29 1789 2150 1877 187 219 538 C ATOM 1205 CG1 VAL L 29 55.346 8.637 18.115 1.00 18.66 C ANISOU 1205 CG1 VAL L 29 2204 2511 2374 215 157 533 C ATOM 1206 CG2 VAL L 29 53.693 10.471 18.434 1.00 17.49 C ANISOU 1206 CG2 VAL L 29 2093 2408 2146 182 249 414 C ATOM 0 H VAL L 29 52.284 9.398 20.499 1.00 15.25 H new ATOM 0 HA VAL L 29 52.681 8.036 18.374 1.00 15.37 H new ATOM 0 HB VAL L 29 54.641 9.387 19.900 1.00 15.31 H new ATOM 0 HG11 VAL L 29 56.045 9.301 18.004 1.00 18.66 H new ATOM 0 HG12 VAL L 29 55.723 7.834 18.509 1.00 18.66 H new ATOM 0 HG13 VAL L 29 54.963 8.423 17.250 1.00 18.66 H new ATOM 0 HG21 VAL L 29 54.407 11.117 18.320 1.00 17.49 H new ATOM 0 HG22 VAL L 29 53.293 10.277 17.572 1.00 17.49 H new ATOM 0 HG23 VAL L 29 53.019 10.836 19.028 1.00 17.49 H new ATOM 1207 N GLY L 30 54.044 6.646 20.921 1.00 15.06 N ANISOU 1207 N GLY L 30 1683 2157 1881 186 235 874 N ATOM 1208 CA GLY L 30 54.685 5.430 21.395 1.00 17.53 C ANISOU 1208 CA GLY L 30 1958 2460 2241 206 203 1034 C ATOM 1209 C GLY L 30 53.748 4.253 21.582 1.00 20.24 C ANISOU 1209 C GLY L 30 2260 2711 2720 202 246 1161 C ATOM 1210 O GLY L 30 54.201 3.167 21.937 1.00 23.00 O ANISOU 1210 O GLY L 30 2572 3024 3145 221 227 1303 O ATOM 0 H GLY L 30 53.878 7.227 21.533 1.00 15.06 H new ATOM 0 HA2 GLY L 30 55.379 5.178 20.766 1.00 17.53 H new ATOM 0 HA3 GLY L 30 55.122 5.617 22.240 1.00 17.53 H new ATOM 1211 N ALA L 31 52.452 4.443 21.357 1.00 17.08 N ANISOU 1211 N ALA L 31 1854 2266 2368 175 304 1114 N ATOM 1212 CA ALA L 31 51.498 3.368 21.592 1.00 17.68 C ANISOU 1212 CA ALA L 31 1880 2257 2582 157 350 1237 C ATOM 1213 C ALA L 31 51.421 2.389 20.436 1.00 27.74 C ANISOU 1213 C ALA L 31 3124 3335 4083 165 316 1207 C ATOM 1214 O ALA L 31 51.756 1.216 20.591 1.00 45.04 O ANISOU 1214 O ALA L 31 5279 5449 6386 176 301 1292 O ATOM 1215 CB ALA L 31 50.115 3.922 21.929 1.00 20.51 C ANISOU 1215 CB ALA L 31 2225 2658 2909 122 432 1212 C ATOM 0 H ALA L 31 52.109 5.178 21.072 1.00 17.08 H new ATOM 0 HA ALA L 31 51.826 2.872 22.358 1.00 17.68 H new ATOM 0 HB1 ALA L 31 49.500 3.187 22.081 1.00 20.51 H new ATOM 0 HB2 ALA L 31 50.171 4.467 22.730 1.00 20.51 H new ATOM 0 HB3 ALA L 31 49.795 4.464 21.191 1.00 20.51 H new ATOM 1216 N TYR L 32 50.993 2.888 19.284 1.00 19.27 N ANISOU 1216 N TYR L 32 2064 2200 3059 158 295 1043 N ATOM 1217 CA ATYR L 32 50.639 2.074 18.139 0.50 21.30 C ANISOU 1217 CA ATYR L 32 2296 2290 3509 148 267 978 C ATOM 1218 CA BTYR L 32 50.722 2.045 18.123 0.50 19.36 C ANISOU 1218 CA BTYR L 32 2051 2041 3264 151 264 978 C ATOM 1219 C TYR L 32 51.138 2.766 16.859 1.00 17.70 C ANISOU 1219 C TYR L 32 1883 1823 3021 169 211 799 C ATOM 1220 O TYR L 32 51.776 3.825 16.913 1.00 19.02 O ANISOU 1220 O TYR L 32 2092 2095 3038 190 200 745 O ATOM 1221 CB ATYR L 32 49.115 1.979 18.122 0.50 25.19 C ANISOU 1221 CB ATYR L 32 2739 2746 4086 98 307 982 C ATOM 1222 CB BTYR L 32 49.235 1.712 18.030 0.50 18.37 C ANISOU 1222 CB BTYR L 32 1872 1852 3256 99 300 989 C ATOM 1223 CG ATYR L 32 48.512 0.813 17.386 0.50 20.08 C ANISOU 1223 CG ATYR L 32 2041 1924 3663 62 290 969 C ATOM 1224 CG BTYR L 32 48.760 0.775 19.090 0.50 26.49 C ANISOU 1224 CG BTYR L 32 2847 2857 4360 75 358 1170 C ATOM 1225 CD1ATYR L 32 49.248 -0.332 17.103 0.50 18.51 C ANISOU 1225 CD1ATYR L 32 1838 1604 3591 77 265 986 C ATOM 1226 CD1BTYR L 32 49.568 -0.254 19.527 0.50 19.28 C ANISOU 1226 CD1BTYR L 32 1923 1917 3485 100 341 1245 C ATOM 1227 CD2ATYR L 32 47.185 0.858 16.980 0.50 28.30 C ANISOU 1227 CD2ATYR L 32 3030 2930 4792 10 297 922 C ATOM 1228 CD2BTYR L 32 47.501 0.911 19.649 0.50 23.62 C ANISOU 1228 CD2BTYR L 32 2437 2536 4002 35 421 1217 C ATOM 1229 CE1ATYR L 32 48.673 -1.399 16.429 0.50 20.84 C ANISOU 1229 CE1ATYR L 32 2088 1756 4073 37 248 927 C ATOM 1230 CE1BTYR L 32 49.155 -1.108 20.496 0.50 20.69 C ANISOU 1230 CE1BTYR L 32 2053 2105 3703 87 380 1375 C ATOM 1231 CE2ATYR L 32 46.605 -0.196 16.307 0.50 31.33 C ANISOU 1231 CE2ATYR L 32 3362 3158 5385 -38 273 893 C ATOM 1232 CE2BTYR L 32 47.067 0.046 20.616 0.50 23.73 C ANISOU 1232 CE2BTYR L 32 2405 2562 4050 23 462 1337 C ATOM 1233 CZ ATYR L 32 47.352 -1.321 16.033 0.50 25.92 C ANISOU 1233 CZ ATYR L 32 2685 2361 4803 -25 249 883 C ATOM 1234 CZ BTYR L 32 47.904 -0.964 21.040 0.50 24.19 C ANISOU 1234 CZ BTYR L 32 2459 2588 4143 49 440 1422 C ATOM 1235 OH ATYR L 32 46.774 -2.373 15.361 0.50 38.07 O ANISOU 1235 OH ATYR L 32 4177 3767 6521 -72 223 811 O ATOM 1236 OH BTYR L 32 47.492 -1.842 22.008 0.50 37.06 O ANISOU 1236 OH BTYR L 32 4042 4226 5813 39 481 1557 O ATOM 0 H ATYR L 32 50.899 3.732 19.146 0.50 19.27 H new ATOM 0 H BTYR L 32 50.851 3.726 19.151 0.50 19.27 H new ATOM 0 HA ATYR L 32 51.038 1.191 18.188 0.50 19.36 H new ATOM 0 HA BTYR L 32 51.227 1.223 18.222 0.50 19.36 H new ATOM 0 HB2ATYR L 32 48.804 1.949 19.040 0.50 18.37 H new ATOM 0 HB2BTYR L 32 48.724 2.535 18.085 0.50 18.37 H new ATOM 0 HB3ATYR L 32 48.766 2.795 17.731 0.50 18.37 H new ATOM 0 HB3BTYR L 32 49.053 1.322 17.161 0.50 18.37 H new ATOM 0 HD1ATYR L 32 50.138 -0.383 17.369 0.50 19.28 H new ATOM 0 HD1BTYR L 32 50.411 -0.364 19.150 0.50 19.28 H new ATOM 0 HD2ATYR L 32 46.677 1.615 17.166 0.50 23.62 H new ATOM 0 HD2BTYR L 32 46.944 1.599 19.364 0.50 23.62 H new ATOM 0 HE1ATYR L 32 49.173 -2.161 16.245 0.50 20.69 H new ATOM 0 HE1BTYR L 32 49.717 -1.788 20.790 0.50 20.69 H new ATOM 0 HE2ATYR L 32 45.716 -0.148 16.040 0.50 23.73 H new ATOM 0 HE2BTYR L 32 46.217 0.138 20.983 0.50 23.73 H new ATOM 0 HH ATYR L 32 45.974 -2.188 15.186 0.50 37.06 H new ATOM 0 HH BTYR L 32 46.714 -1.643 22.254 0.50 37.06 H new ATOM 1237 N ASP L 33 50.794 2.198 15.707 1.00 18.63 N ANISOU 1237 N ASP L 33 1988 1818 3273 154 180 704 N ATOM 1238 CA ASP L 33 51.232 2.759 14.428 1.00 16.51 C ANISOU 1238 CA ASP L 33 1761 1549 2964 171 132 545 C ATOM 1239 C ASP L 33 50.306 3.852 13.877 1.00 17.05 C ANISOU 1239 C ASP L 33 1835 1682 2963 150 119 457 C ATOM 1240 O ASP L 33 50.403 4.223 12.711 1.00 17.77 O ANISOU 1240 O ASP L 33 1951 1770 3032 154 76 339 O ATOM 1241 CB ASP L 33 51.413 1.643 13.388 1.00 20.42 C ANISOU 1241 CB ASP L 33 2249 1899 3612 167 102 465 C ATOM 1242 CG ASP L 33 52.742 0.905 13.524 1.00 29.82 C ANISOU 1242 CG ASP L 33 3446 3031 4853 218 109 505 C ATOM 1243 OD1 ASP L 33 53.603 1.326 14.329 1.00 26.73 O ANISOU 1243 OD1 ASP L 33 3063 2730 4362 255 119 593 O ATOM 1244 OD2 ASP L 33 52.933 -0.097 12.798 1.00 32.15 O ANISOU 1244 OD2 ASP L 33 3732 3189 5294 221 103 441 O ATOM 0 H ASP L 33 50.310 1.490 15.642 1.00 18.63 H new ATOM 0 HA ASP L 33 52.083 3.190 14.604 1.00 16.51 H new ATOM 0 HB2 ASP L 33 50.686 1.007 13.475 1.00 20.42 H new ATOM 0 HB3 ASP L 33 51.351 2.025 12.498 1.00 20.42 H new ATOM 1245 N TRP L 34 49.438 4.391 14.725 1.00 15.57 N ANISOU 1245 N TRP L 34 1621 1559 2736 132 162 522 N ATOM 1246 CA TRP L 34 48.430 5.372 14.316 1.00 16.34 C ANISOU 1246 CA TRP L 34 1703 1704 2803 119 161 463 C ATOM 1247 C TRP L 34 48.967 6.809 14.231 1.00 15.41 C ANISOU 1247 C TRP L 34 1637 1680 2538 154 165 408 C ATOM 1248 O TRP L 34 48.376 7.753 14.781 1.00 15.09 O ANISOU 1248 O TRP L 34 1587 1703 2443 157 211 419 O ATOM 1249 CB TRP L 34 47.230 5.277 15.266 1.00 18.41 C ANISOU 1249 CB TRP L 34 1900 1981 3112 90 224 554 C ATOM 1250 CG TRP L 34 47.598 5.332 16.742 1.00 17.21 C ANISOU 1250 CG TRP L 34 1762 1905 2871 100 297 667 C ATOM 1251 CD1 TRP L 34 48.715 5.906 17.294 1.00 16.72 C ANISOU 1251 CD1 TRP L 34 1760 1926 2664 130 303 669 C ATOM 1252 CD2 TRP L 34 46.834 4.814 17.837 1.00 16.93 C ANISOU 1252 CD2 TRP L 34 1675 1885 2874 73 372 792 C ATOM 1253 NE1 TRP L 34 48.688 5.770 18.660 1.00 16.01 N ANISOU 1253 NE1 TRP L 34 1665 1915 2504 123 368 782 N ATOM 1254 CE2 TRP L 34 47.546 5.106 19.019 1.00 14.41 C ANISOU 1254 CE2 TRP L 34 1397 1674 2406 91 418 865 C ATOM 1255 CE3 TRP L 34 45.622 4.120 17.938 1.00 17.84 C ANISOU 1255 CE3 TRP L 34 1708 1939 3133 30 406 855 C ATOM 1256 CZ2 TRP L 34 47.078 4.746 20.280 1.00 17.58 C ANISOU 1256 CZ2 TRP L 34 1767 2136 2776 73 500 1002 C ATOM 1257 CZ3 TRP L 34 45.165 3.762 19.194 1.00 19.05 C ANISOU 1257 CZ3 TRP L 34 1824 2139 3276 12 497 997 C ATOM 1258 CH2 TRP L 34 45.893 4.072 20.346 1.00 19.71 C ANISOU 1258 CH2 TRP L 34 1959 2342 3190 35 546 1072 C ATOM 0 H TRP L 34 49.415 4.198 15.563 1.00 15.57 H new ATOM 0 HA TRP L 34 48.156 5.154 13.411 1.00 16.34 H new ATOM 0 HB2 TRP L 34 46.616 6.001 15.069 1.00 18.41 H new ATOM 0 HB3 TRP L 34 46.757 4.448 15.091 1.00 18.41 H new ATOM 0 HD1 TRP L 34 49.391 6.326 16.813 1.00 16.72 H new ATOM 0 HE1 TRP L 34 49.291 6.056 19.202 1.00 16.01 H new ATOM 0 HE3 TRP L 34 45.134 3.904 17.176 1.00 17.84 H new ATOM 0 HZ2 TRP L 34 47.556 4.957 21.050 1.00 17.58 H new ATOM 0 HZ3 TRP L 34 44.358 3.306 19.273 1.00 19.05 H new ATOM 0 HH2 TRP L 34 45.563 3.813 21.176 1.00 19.71 H new ATOM 1259 N VAL L 35 50.086 6.952 13.527 1.00 12.81 N ANISOU 1259 N VAL L 35 1357 1350 2159 178 125 346 N ATOM 1260 CA VAL L 35 50.820 8.203 13.398 1.00 13.46 C ANISOU 1260 CA VAL L 35 1487 1504 2122 205 128 300 C ATOM 1261 C VAL L 35 50.773 8.677 11.949 1.00 11.98 C ANISOU 1261 C VAL L 35 1317 1306 1930 213 80 212 C ATOM 1262 O VAL L 35 50.955 7.875 11.022 1.00 13.22 O ANISOU 1262 O VAL L 35 1475 1412 2134 209 37 165 O ATOM 1263 CB VAL L 35 52.283 8.010 13.837 1.00 14.34 C ANISOU 1263 CB VAL L 35 1631 1640 2177 224 127 321 C ATOM 1264 CG1 VAL L 35 53.054 9.306 13.732 1.00 17.58 C ANISOU 1264 CG1 VAL L 35 2081 2117 2481 237 131 272 C ATOM 1265 CG2 VAL L 35 52.343 7.487 15.267 1.00 17.49 C ANISOU 1265 CG2 VAL L 35 2011 2071 2563 215 163 429 C ATOM 0 H VAL L 35 50.449 6.301 13.098 1.00 12.81 H new ATOM 0 HA VAL L 35 50.408 8.870 13.969 1.00 13.46 H new ATOM 0 HB VAL L 35 52.690 7.360 13.243 1.00 14.34 H new ATOM 0 HG11 VAL L 35 53.971 9.161 14.013 1.00 17.58 H new ATOM 0 HG12 VAL L 35 53.043 9.616 12.813 1.00 17.58 H new ATOM 0 HG13 VAL L 35 52.643 9.974 14.303 1.00 17.58 H new ATOM 0 HG21 VAL L 35 53.269 7.370 15.530 1.00 17.49 H new ATOM 0 HG22 VAL L 35 51.916 8.122 15.862 1.00 17.49 H new ATOM 0 HG23 VAL L 35 51.882 6.635 15.320 1.00 17.49 H new ATOM 1266 N SER L 36 50.525 9.967 11.756 1.00 12.05 N ANISOU 1266 N SER L 36 1337 1361 1881 226 91 191 N ATOM 1267 CA ASER L 36 50.399 10.546 10.424 0.50 11.22 C ANISOU 1267 CA ASER L 36 1243 1263 1758 237 46 138 C ATOM 1268 CA BSER L 36 50.403 10.547 10.422 0.50 11.13 C ANISOU 1268 CA BSER L 36 1232 1251 1746 237 46 138 C ATOM 1269 C SER L 36 51.173 11.854 10.301 1.00 12.76 C ANISOU 1269 C SER L 36 1480 1497 1871 260 69 125 C ATOM 1270 O SER L 36 51.567 12.455 11.306 1.00 12.41 O ANISOU 1270 O SER L 36 1450 1474 1793 261 118 140 O ATOM 1271 CB ASER L 36 48.921 10.772 10.084 0.50 13.97 C ANISOU 1271 CB ASER L 36 1534 1607 2166 227 25 150 C ATOM 1272 CB BSER L 36 48.931 10.795 10.082 0.50 13.67 C ANISOU 1272 CB BSER L 36 1497 1570 2127 228 25 150 C ATOM 1273 OG ASER L 36 48.234 11.401 11.150 0.50 9.30 O ANISOU 1273 OG ASER L 36 912 1028 1593 234 89 196 O ATOM 1274 OG BSER L 36 48.141 9.669 10.402 0.50 23.69 O ANISOU 1274 OG BSER L 36 2714 2797 3489 195 16 170 O ATOM 0 H ASER L 36 50.425 10.533 12.396 0.50 12.05 H new ATOM 0 H BSER L 36 50.422 10.533 12.395 0.50 12.05 H new ATOM 0 HA ASER L 36 50.781 9.917 9.792 0.50 11.13 H new ATOM 0 HA BSER L 36 50.783 9.910 9.797 0.50 11.13 H new ATOM 0 HB2ASER L 36 48.851 11.318 9.285 0.50 13.67 H new ATOM 0 HB2BSER L 36 48.609 11.569 10.569 0.50 13.67 H new ATOM 0 HB3ASER L 36 48.500 9.921 9.883 0.50 13.67 H new ATOM 0 HB3BSER L 36 48.843 10.998 9.138 0.50 13.67 H new ATOM 0 HG ASER L 36 47.927 10.817 11.669 0.50 23.69 H new ATOM 0 HG BSER L 36 47.550 9.890 10.956 0.50 23.69 H new ATOM 1275 N TRP L 37 51.376 12.293 9.064 1.00 11.51 N ANISOU 1275 N TRP L 37 1341 1353 1680 272 33 96 N ATOM 1276 CA TRP L 37 52.031 13.571 8.782 1.00 11.05 C ANISOU 1276 CA TRP L 37 1314 1318 1565 290 56 98 C ATOM 1277 C TRP L 37 51.255 14.334 7.736 1.00 12.52 C ANISOU 1277 C TRP L 37 1486 1518 1752 306 25 117 C ATOM 1278 O TRP L 37 50.752 13.741 6.774 1.00 13.29 O ANISOU 1278 O TRP L 37 1569 1635 1846 301 -37 104 O ATOM 1279 CB TRP L 37 53.440 13.343 8.255 1.00 11.62 C ANISOU 1279 CB TRP L 37 1425 1407 1583 293 54 68 C ATOM 1280 CG TRP L 37 54.395 12.831 9.267 1.00 10.95 C ANISOU 1280 CG TRP L 37 1345 1319 1497 285 80 68 C ATOM 1281 CD1 TRP L 37 54.647 11.530 9.569 1.00 12.96 C ANISOU 1281 CD1 TRP L 37 1586 1551 1786 283 68 68 C ATOM 1282 CD2 TRP L 37 55.232 13.617 10.117 1.00 11.25 C ANISOU 1282 CD2 TRP L 37 1394 1379 1503 277 116 76 C ATOM 1283 NE1 TRP L 37 55.604 11.456 10.558 1.00 13.87 N ANISOU 1283 NE1 TRP L 37 1700 1685 1886 281 89 93 N ATOM 1284 CE2 TRP L 37 55.985 12.726 10.902 1.00 11.98 C ANISOU 1284 CE2 TRP L 37 1475 1481 1596 272 113 89 C ATOM 1285 CE3 TRP L 37 55.440 14.987 10.263 1.00 13.10 C ANISOU 1285 CE3 TRP L 37 1642 1619 1717 270 148 71 C ATOM 1286 CZ2 TRP L 37 56.917 13.169 11.850 1.00 14.45 C ANISOU 1286 CZ2 TRP L 37 1786 1833 1869 255 128 97 C ATOM 1287 CZ3 TRP L 37 56.357 15.427 11.203 1.00 13.27 C ANISOU 1287 CZ3 TRP L 37 1667 1664 1710 246 170 59 C ATOM 1288 CH2 TRP L 37 57.094 14.521 11.978 1.00 13.62 C ANISOU 1288 CH2 TRP L 37 1698 1742 1735 237 154 71 C ATOM 0 H TRP L 37 51.138 11.859 8.361 1.00 11.51 H new ATOM 0 HA TRP L 37 52.066 14.077 9.609 1.00 11.05 H new ATOM 0 HB2 TRP L 37 53.400 12.715 7.517 1.00 11.62 H new ATOM 0 HB3 TRP L 37 53.780 14.179 7.899 1.00 11.62 H new ATOM 0 HD1 TRP L 37 54.235 10.799 9.168 1.00 12.96 H new ATOM 0 HE1 TRP L 37 55.912 10.731 10.903 1.00 13.87 H new ATOM 0 HE3 TRP L 37 54.971 15.595 9.738 1.00 13.10 H new ATOM 0 HZ2 TRP L 37 57.397 12.568 12.372 1.00 14.45 H new ATOM 0 HZ3 TRP L 37 56.486 16.340 11.322 1.00 13.27 H new ATOM 0 HH2 TRP L 37 57.715 14.844 12.591 1.00 13.62 H new ATOM 1289 N TYR L 38 51.179 15.652 7.923 1.00 11.79 N ANISOU 1289 N TYR L 38 1396 1417 1669 325 65 148 N ATOM 1290 CA TYR L 38 50.484 16.565 7.021 1.00 11.63 C ANISOU 1290 CA TYR L 38 1354 1403 1664 352 42 198 C ATOM 1291 C TYR L 38 51.411 17.675 6.576 1.00 13.74 C ANISOU 1291 C TYR L 38 1659 1665 1898 364 75 222 C ATOM 1292 O TYR L 38 52.256 18.149 7.343 1.00 14.36 O ANISOU 1292 O TYR L 38 1764 1714 1978 352 133 196 O ATOM 1293 CB TYR L 38 49.269 17.196 7.717 1.00 12.54 C ANISOU 1293 CB TYR L 38 1413 1480 1872 373 76 233 C ATOM 1294 CG TYR L 38 48.276 16.168 8.199 1.00 11.76 C ANISOU 1294 CG TYR L 38 1261 1384 1822 356 56 225 C ATOM 1295 CD1 TYR L 38 48.422 15.556 9.439 1.00 13.06 C ANISOU 1295 CD1 TYR L 38 1431 1536 1994 333 106 196 C ATOM 1296 CD2 TYR L 38 47.209 15.783 7.396 1.00 13.66 C ANISOU 1296 CD2 TYR L 38 1440 1650 2099 356 -19 254 C ATOM 1297 CE1 TYR L 38 47.531 14.577 9.863 1.00 15.20 C ANISOU 1297 CE1 TYR L 38 1649 1804 2321 313 96 206 C ATOM 1298 CE2 TYR L 38 46.309 14.820 7.810 1.00 13.03 C ANISOU 1298 CE2 TYR L 38 1302 1566 2084 330 -37 248 C ATOM 1299 CZ TYR L 38 46.468 14.228 9.047 1.00 13.81 C ANISOU 1299 CZ TYR L 38 1408 1637 2202 309 28 229 C ATOM 1300 OH TYR L 38 45.579 13.258 9.465 1.00 17.20 O ANISOU 1300 OH TYR L 38 1774 2055 2707 278 20 240 O ATOM 0 H TYR L 38 51.540 16.048 8.596 1.00 11.79 H new ATOM 0 HA TYR L 38 50.190 16.052 6.252 1.00 11.63 H new ATOM 0 HB2 TYR L 38 49.572 17.726 8.471 1.00 12.54 H new ATOM 0 HB3 TYR L 38 48.828 17.803 7.102 1.00 12.54 H new ATOM 0 HD1 TYR L 38 49.126 15.805 9.993 1.00 13.06 H new ATOM 0 HD2 TYR L 38 47.099 16.182 6.563 1.00 13.66 H new ATOM 0 HE1 TYR L 38 47.648 14.161 10.686 1.00 15.20 H new ATOM 0 HE2 TYR L 38 45.601 14.572 7.260 1.00 13.03 H new ATOM 0 HH TYR L 38 44.879 13.624 9.752 1.00 17.20 H new ATOM 1301 N GLN L 39 51.221 18.100 5.334 1.00 12.17 N ANISOU 1301 N GLN L 39 1457 1500 1668 383 34 277 N ATOM 1302 CA GLN L 39 51.907 19.249 4.765 1.00 13.16 C ANISOU 1302 CA GLN L 39 1607 1616 1778 397 67 333 C ATOM 1303 C GLN L 39 50.891 20.357 4.585 1.00 13.87 C ANISOU 1303 C GLN L 39 1652 1665 1954 438 72 423 C ATOM 1304 O GLN L 39 49.764 20.116 4.147 1.00 14.83 O ANISOU 1304 O GLN L 39 1724 1820 2093 458 10 465 O ATOM 1305 CB GLN L 39 52.467 18.842 3.406 1.00 13.99 C ANISOU 1305 CB GLN L 39 1741 1806 1769 393 22 347 C ATOM 1306 CG GLN L 39 53.201 19.939 2.654 1.00 14.41 C ANISOU 1306 CG GLN L 39 1816 1866 1794 404 60 427 C ATOM 1307 CD GLN L 39 53.527 19.509 1.246 1.00 15.86 C ANISOU 1307 CD GLN L 39 2025 2161 1842 404 17 448 C ATOM 1308 OE1 GLN L 39 52.625 19.254 0.449 1.00 17.51 O ANISOU 1308 OE1 GLN L 39 2215 2441 1999 416 -60 481 O ATOM 1309 NE2 GLN L 39 54.817 19.417 0.930 1.00 17.21 N ANISOU 1309 NE2 GLN L 39 2232 2358 1948 388 67 424 N ATOM 0 H GLN L 39 50.677 17.719 4.787 1.00 12.17 H new ATOM 0 HA GLN L 39 52.628 19.551 5.340 1.00 13.16 H new ATOM 0 HB2 GLN L 39 53.073 18.095 3.532 1.00 13.99 H new ATOM 0 HB3 GLN L 39 51.736 18.524 2.853 1.00 13.99 H new ATOM 0 HG2 GLN L 39 52.655 20.741 2.632 1.00 14.41 H new ATOM 0 HG3 GLN L 39 54.019 20.165 3.124 1.00 14.41 H new ATOM 0 HE21 GLN L 39 55.418 19.604 1.516 1.00 17.21 H new ATOM 0 HE22 GLN L 39 55.050 19.170 0.140 1.00 17.21 H new ATOM 1310 N GLN L 40 51.283 21.591 4.881 1.00 13.72 N ANISOU 1310 N GLN L 40 1641 1569 2002 449 143 458 N ATOM 1311 CA GLN L 40 50.376 22.715 4.669 1.00 14.89 C ANISOU 1311 CA GLN L 40 1742 1656 2260 499 159 555 C ATOM 1312 C GLN L 40 51.065 23.897 4.020 1.00 16.20 C ANISOU 1312 C GLN L 40 1927 1776 2451 510 199 645 C ATOM 1313 O GLN L 40 52.015 24.457 4.574 1.00 16.16 O ANISOU 1313 O GLN L 40 1957 1702 2481 480 272 599 O ATOM 1314 CB GLN L 40 49.741 23.146 5.993 1.00 14.99 C ANISOU 1314 CB GLN L 40 1726 1574 2397 512 231 501 C ATOM 1315 CG GLN L 40 48.615 24.150 5.796 1.00 15.83 C ANISOU 1315 CG GLN L 40 1766 1615 2636 569 248 592 C ATOM 1316 CD GLN L 40 48.010 24.583 7.105 1.00 19.00 C ANISOU 1316 CD GLN L 40 2146 1938 3133 565 333 507 C ATOM 1317 OE1 GLN L 40 48.702 24.647 8.123 1.00 19.75 O ANISOU 1317 OE1 GLN L 40 2286 1991 3227 537 405 404 O ATOM 1318 NE2 GLN L 40 46.710 24.854 7.095 1.00 18.91 N ANISOU 1318 NE2 GLN L 40 2066 1922 3197 592 325 546 N ATOM 0 H GLN L 40 52.055 21.798 5.200 1.00 13.72 H new ATOM 0 HA GLN L 40 49.685 22.410 4.061 1.00 14.89 H new ATOM 0 HB2 GLN L 40 49.397 22.365 6.454 1.00 14.99 H new ATOM 0 HB3 GLN L 40 50.422 23.535 6.564 1.00 14.99 H new ATOM 0 HG2 GLN L 40 48.954 24.927 5.325 1.00 15.83 H new ATOM 0 HG3 GLN L 40 47.927 23.757 5.237 1.00 15.83 H new ATOM 0 HE21 GLN L 40 46.264 24.797 6.362 1.00 18.91 H new ATOM 0 HE22 GLN L 40 46.314 25.087 7.822 1.00 18.91 H new ATOM 1319 N HIS L 41 50.580 24.269 2.840 1.00 16.06 N ANISOU 1319 N HIS L 41 1881 1803 2418 548 147 781 N ATOM 1320 CA HIS L 41 51.055 25.461 2.150 1.00 17.08 C ANISOU 1320 CA HIS L 41 2017 1886 2588 564 187 903 C ATOM 1321 C HIS L 41 50.179 26.659 2.527 1.00 19.31 C ANISOU 1321 C HIS L 41 2247 2060 3032 583 230 929 C ATOM 1322 O HIS L 41 49.053 26.475 2.995 1.00 19.33 O ANISOU 1322 O HIS L 41 2200 2054 3090 603 210 899 O ATOM 1323 CB HIS L 41 51.044 25.227 0.629 1.00 18.64 C ANISOU 1323 CB HIS L 41 2217 2225 2640 571 105 1015 C ATOM 1324 CG HIS L 41 52.186 24.392 0.142 1.00 17.69 C ANISOU 1324 CG HIS L 41 2159 2207 2353 529 99 960 C ATOM 1325 ND1 HIS L 41 52.148 23.012 0.118 1.00 21.79 N ANISOU 1325 ND1 HIS L 41 2697 2826 2755 502 38 841 N ATOM 1326 CD2 HIS L 41 53.403 24.741 -0.334 1.00 21.86 C ANISOU 1326 CD2 HIS L 41 2729 2750 2827 504 155 992 C ATOM 1327 CE1 HIS L 41 53.294 22.551 -0.349 1.00 22.29 C ANISOU 1327 CE1 HIS L 41 2812 2957 2700 469 61 797 C ATOM 1328 NE2 HIS L 41 54.074 23.581 -0.633 1.00 19.94 N ANISOU 1328 NE2 HIS L 41 2526 2617 2433 469 132 889 N ATOM 0 H HIS L 41 49.967 23.838 2.418 1.00 16.06 H new ATOM 0 HA HIS L 41 51.967 25.650 2.421 1.00 17.08 H new ATOM 0 HB2 HIS L 41 50.210 24.797 0.382 1.00 18.64 H new ATOM 0 HB3 HIS L 41 51.065 26.085 0.177 1.00 18.64 H new ATOM 0 HD2 HIS L 41 53.726 25.607 -0.439 1.00 21.86 H new ATOM 0 HE1 HIS L 41 53.515 21.654 -0.459 1.00 22.29 H new ATOM 0 HE2 HIS L 41 54.871 23.532 -0.953 1.00 19.94 H new ATOM 1329 N PRO L 42 50.683 27.894 2.325 1.00 23.30 N ANISOU 1329 N PRO L 42 2755 2478 3619 576 296 987 N ATOM 1330 CA PRO L 42 49.935 29.091 2.730 1.00 25.42 C ANISOU 1330 CA PRO L 42 2974 2629 4054 597 351 1005 C ATOM 1331 C PRO L 42 48.543 29.153 2.110 1.00 24.94 C ANISOU 1331 C PRO L 42 2843 2623 4010 644 282 1099 C ATOM 1332 O PRO L 42 48.401 28.970 0.903 1.00 29.07 O ANISOU 1332 O PRO L 42 3355 3253 4437 657 203 1215 O ATOM 1333 CB PRO L 42 50.789 30.232 2.175 1.00 28.68 C ANISOU 1333 CB PRO L 42 3399 2976 4524 583 407 1089 C ATOM 1334 CG PRO L 42 52.168 29.695 2.176 1.00 25.88 C ANISOU 1334 CG PRO L 42 3108 2652 4075 536 423 1045 C ATOM 1335 CD PRO L 42 52.040 28.231 1.855 1.00 26.28 C ANISOU 1335 CD PRO L 42 3180 2850 3957 543 337 1025 C ATOM 0 HA PRO L 42 49.793 29.117 3.689 1.00 25.42 H new ATOM 0 HB2 PRO L 42 50.508 30.482 1.281 1.00 28.68 H new ATOM 0 HB3 PRO L 42 50.719 31.027 2.727 1.00 28.68 H new ATOM 0 HG2 PRO L 42 52.718 30.148 1.518 1.00 25.88 H new ATOM 0 HG3 PRO L 42 52.592 29.826 3.039 1.00 25.88 H new ATOM 0 HD2 PRO L 42 52.141 28.063 0.905 1.00 26.28 H new ATOM 0 HD3 PRO L 42 52.717 27.705 2.309 1.00 26.28 H new ATOM 1336 N GLY L 43 47.531 29.381 2.942 1.00 26.01 N ANISOU 1336 N GLY L 43 2931 2694 4259 666 314 1047 N ATOM 1337 CA GLY L 43 46.167 29.533 2.468 1.00 30.47 C ANISOU 1337 CA GLY L 43 3415 3293 4870 711 259 1137 C ATOM 1338 C GLY L 43 45.466 28.257 2.035 1.00 27.18 C ANISOU 1338 C GLY L 43 2973 3018 4337 713 144 1142 C ATOM 1339 O GLY L 43 44.372 28.316 1.462 1.00 29.43 O ANISOU 1339 O GLY L 43 3185 3352 4644 744 78 1228 O ATOM 0 H GLY L 43 47.619 29.451 3.795 1.00 26.01 H new ATOM 0 HA2 GLY L 43 45.643 29.946 3.172 1.00 30.47 H new ATOM 0 HA3 GLY L 43 46.171 30.149 1.719 1.00 30.47 H new ATOM 1340 N LYS L 44 46.082 27.106 2.300 1.00 21.98 N ANISOU 1340 N LYS L 44 2367 2422 3564 680 116 1049 N ATOM 1341 CA LYS L 44 45.486 25.829 1.926 1.00 23.05 C ANISOU 1341 CA LYS L 44 2477 2684 3598 674 6 1037 C ATOM 1342 C LYS L 44 45.258 24.945 3.138 1.00 18.60 C ANISOU 1342 C LYS L 44 1910 2098 3060 656 36 906 C ATOM 1343 O LYS L 44 45.942 25.074 4.156 1.00 18.87 O ANISOU 1343 O LYS L 44 1991 2053 3127 640 129 813 O ATOM 1344 CB LYS L 44 46.382 25.092 0.926 1.00 23.87 C ANISOU 1344 CB LYS L 44 2639 2909 3523 650 -69 1060 C ATOM 1345 CG LYS L 44 46.599 25.843 -0.385 1.00 30.72 C ANISOU 1345 CG LYS L 44 3512 3832 4329 660 -103 1198 C ATOM 1346 CD LYS L 44 47.338 24.968 -1.389 1.00 40.87 C ANISOU 1346 CD LYS L 44 4854 5268 5408 632 -178 1203 C ATOM 1347 CE LYS L 44 47.505 25.664 -2.733 1.00 52.73 C ANISOU 1347 CE LYS L 44 6363 6849 6825 638 -209 1341 C ATOM 1348 NZ LYS L 44 46.257 25.640 -3.549 1.00 59.02 N ANISOU 1348 NZ LYS L 44 7091 7739 7593 655 -321 1420 N ATOM 0 H LYS L 44 46.844 27.045 2.695 1.00 21.98 H new ATOM 0 HA LYS L 44 44.628 26.020 1.517 1.00 23.05 H new ATOM 0 HB2 LYS L 44 47.244 24.926 1.339 1.00 23.87 H new ATOM 0 HB3 LYS L 44 45.990 24.227 0.731 1.00 23.87 H new ATOM 0 HG2 LYS L 44 45.744 26.115 -0.753 1.00 30.72 H new ATOM 0 HG3 LYS L 44 47.106 26.653 -0.219 1.00 30.72 H new ATOM 0 HD2 LYS L 44 48.211 24.736 -1.035 1.00 40.87 H new ATOM 0 HD3 LYS L 44 46.852 24.138 -1.513 1.00 40.87 H new ATOM 0 HE2 LYS L 44 47.774 26.584 -2.586 1.00 52.73 H new ATOM 0 HE3 LYS L 44 48.220 25.236 -3.229 1.00 52.73 H new ATOM 0 HZ1 LYS L 44 46.400 26.056 -4.323 1.00 59.02 H new ATOM 0 HZ2 LYS L 44 46.021 24.796 -3.706 1.00 59.02 H new ATOM 0 HZ3 LYS L 44 45.605 26.053 -3.106 1.00 59.02 H new ATOM 1349 N ALA L 45 44.306 24.026 3.016 1.00 19.56 N ANISOU 1349 N ALA L 45 1972 2296 3162 654 -45 899 N ATOM 1350 CA ALA L 45 44.116 22.985 4.017 1.00 17.87 C ANISOU 1350 CA ALA L 45 1750 2083 2958 631 -27 791 C ATOM 1351 C ALA L 45 45.332 22.065 4.085 1.00 16.06 C ANISOU 1351 C ALA L 45 1596 1890 2617 601 -38 724 C ATOM 1352 O ALA L 45 46.061 21.897 3.102 1.00 17.08 O ANISOU 1352 O ALA L 45 1767 2088 2634 596 -96 765 O ATOM 1353 CB ALA L 45 42.874 22.162 3.699 1.00 20.15 C ANISOU 1353 CB ALA L 45 1949 2450 3258 625 -123 810 C ATOM 0 H ALA L 45 43.756 23.989 2.356 1.00 19.56 H new ATOM 0 HA ALA L 45 44.003 23.418 4.878 1.00 17.87 H new ATOM 0 HB1 ALA L 45 42.760 21.474 4.373 1.00 20.15 H new ATOM 0 HB2 ALA L 45 42.095 22.740 3.693 1.00 20.15 H new ATOM 0 HB3 ALA L 45 42.975 21.747 2.828 1.00 20.15 H new ATOM 1354 N PRO L 46 45.561 21.444 5.245 1.00 14.60 N ANISOU 1354 N PRO L 46 1428 1668 2453 581 24 624 N ATOM 1355 CA PRO L 46 46.585 20.411 5.348 1.00 13.86 C ANISOU 1355 CA PRO L 46 1412 1620 2235 523 8 529 C ATOM 1356 C PRO L 46 46.329 19.289 4.349 1.00 14.23 C ANISOU 1356 C PRO L 46 1447 1772 2188 491 -112 525 C ATOM 1357 O PRO L 46 45.176 19.019 3.975 1.00 18.04 O ANISOU 1357 O PRO L 46 1846 2294 2714 499 -185 567 O ATOM 1358 CB PRO L 46 46.416 19.899 6.789 1.00 16.01 C ANISOU 1358 CB PRO L 46 1680 1850 2552 501 81 441 C ATOM 1359 CG PRO L 46 45.837 21.084 7.510 1.00 16.55 C ANISOU 1359 CG PRO L 46 1708 1830 2750 550 176 466 C ATOM 1360 CD PRO L 46 44.865 21.658 6.528 1.00 17.32 C ANISOU 1360 CD PRO L 46 1739 1943 2897 581 114 566 C ATOM 0 HA PRO L 46 47.477 20.739 5.156 1.00 13.86 H new ATOM 0 HB2 PRO L 46 45.825 19.131 6.829 1.00 16.01 H new ATOM 0 HB3 PRO L 46 47.263 19.625 7.173 1.00 16.01 H new ATOM 0 HG2 PRO L 46 45.397 20.820 8.333 1.00 16.55 H new ATOM 0 HG3 PRO L 46 46.524 21.726 7.748 1.00 16.55 H new ATOM 0 HD2 PRO L 46 44.009 21.203 6.557 1.00 17.32 H new ATOM 0 HD3 PRO L 46 44.693 22.598 6.695 1.00 17.32 H new ATOM 1361 N LYS L 47 47.423 18.673 3.924 1.00 13.05 N ANISOU 1361 N LYS L 47 1375 1666 1917 455 -129 465 N ATOM 1362 CA LYS L 47 47.408 17.561 2.984 1.00 15.35 C ANISOU 1362 CA LYS L 47 1676 2050 2108 418 -226 422 C ATOM 1363 C LYS L 47 48.082 16.371 3.649 1.00 12.79 C ANISOU 1363 C LYS L 47 1396 1701 1762 374 -199 308 C ATOM 1364 O LYS L 47 49.199 16.473 4.153 1.00 13.10 O ANISOU 1364 O LYS L 47 1493 1707 1777 371 -130 273 O ATOM 1365 CB LYS L 47 48.165 17.954 1.711 1.00 16.06 C ANISOU 1365 CB LYS L 47 1818 2216 2067 424 -257 463 C ATOM 1366 CG LYS L 47 48.318 16.821 0.700 1.00 18.52 C ANISOU 1366 CG LYS L 47 2157 2631 2249 383 -342 387 C ATOM 1367 CD LYS L 47 49.119 17.277 -0.509 1.00 20.40 C ANISOU 1367 CD LYS L 47 2451 2961 2340 393 -350 430 C ATOM 1368 CE LYS L 47 49.346 16.121 -1.475 1.00 26.26 C ANISOU 1368 CE LYS L 47 3230 3807 2939 350 -416 323 C ATOM 1369 NZ LYS L 47 49.994 16.576 -2.738 1.00 30.23 N ANISOU 1369 NZ LYS L 47 3783 4429 3273 360 -422 372 N ATOM 0 H LYS L 47 48.214 18.895 4.180 1.00 13.05 H new ATOM 0 HA LYS L 47 46.497 17.333 2.742 1.00 15.35 H new ATOM 0 HB2 LYS L 47 47.702 18.693 1.286 1.00 16.06 H new ATOM 0 HB3 LYS L 47 49.046 18.276 1.957 1.00 16.06 H new ATOM 0 HG2 LYS L 47 48.760 16.066 1.119 1.00 18.52 H new ATOM 0 HG3 LYS L 47 47.442 16.515 0.416 1.00 18.52 H new ATOM 0 HD2 LYS L 47 48.649 17.995 -0.962 1.00 20.40 H new ATOM 0 HD3 LYS L 47 49.973 17.635 -0.220 1.00 20.40 H new ATOM 0 HE2 LYS L 47 49.901 15.449 -1.050 1.00 26.26 H new ATOM 0 HE3 LYS L 47 48.497 15.699 -1.680 1.00 26.26 H new ATOM 0 HZ1 LYS L 47 50.060 15.891 -3.302 1.00 30.23 H new ATOM 0 HZ2 LYS L 47 49.503 17.219 -3.109 1.00 30.23 H new ATOM 0 HZ3 LYS L 47 50.807 16.890 -2.558 1.00 30.23 H new ATOM 1370 N LEU L 48 47.401 15.232 3.658 1.00 12.78 N ANISOU 1370 N LEU L 48 1357 1713 1784 338 -257 255 N ATOM 1371 CA LEU L 48 47.963 14.009 4.221 1.00 12.77 C ANISOU 1371 CA LEU L 48 1389 1677 1787 301 -235 164 C ATOM 1372 C LEU L 48 49.129 13.472 3.381 1.00 12.57 C ANISOU 1372 C LEU L 48 1438 1690 1650 288 -247 95 C ATOM 1373 O LEU L 48 48.971 13.215 2.176 1.00 14.57 O ANISOU 1373 O LEU L 48 1698 2017 1822 274 -320 68 O ATOM 1374 CB LEU L 48 46.864 12.945 4.335 1.00 12.38 C ANISOU 1374 CB LEU L 48 1272 1617 1815 260 -293 133 C ATOM 1375 CG LEU L 48 47.246 11.597 4.952 1.00 12.33 C ANISOU 1375 CG LEU L 48 1283 1551 1851 221 -271 59 C ATOM 1376 CD1 LEU L 48 47.663 11.756 6.412 1.00 14.15 C ANISOU 1376 CD1 LEU L 48 1525 1724 2128 237 -171 93 C ATOM 1377 CD2 LEU L 48 46.073 10.630 4.836 1.00 14.76 C ANISOU 1377 CD2 LEU L 48 1514 1844 2248 170 -338 34 C ATOM 0 H LEU L 48 46.606 15.145 3.341 1.00 12.78 H new ATOM 0 HA LEU L 48 48.313 14.219 5.101 1.00 12.77 H new ATOM 0 HB2 LEU L 48 46.139 13.319 4.859 1.00 12.38 H new ATOM 0 HB3 LEU L 48 46.515 12.779 3.445 1.00 12.38 H new ATOM 0 HG LEU L 48 48.006 11.240 4.466 1.00 12.33 H new ATOM 0 HD11 LEU L 48 47.899 10.889 6.778 1.00 14.15 H new ATOM 0 HD12 LEU L 48 48.428 12.349 6.467 1.00 14.15 H new ATOM 0 HD13 LEU L 48 46.927 12.131 6.920 1.00 14.15 H new ATOM 0 HD21 LEU L 48 46.317 9.777 5.227 1.00 14.76 H new ATOM 0 HD22 LEU L 48 45.306 10.993 5.306 1.00 14.76 H new ATOM 0 HD23 LEU L 48 45.849 10.504 3.901 1.00 14.76 H new ATOM 1378 N LEU L 49 50.291 13.307 4.006 1.00 12.40 N ANISOU 1378 N LEU L 49 1464 1628 1620 292 -176 65 N ATOM 1379 CA LEU L 49 51.453 12.748 3.306 1.00 12.62 C ANISOU 1379 CA LEU L 49 1549 1683 1564 288 -168 -2 C ATOM 1380 C LEU L 49 51.783 11.326 3.744 1.00 13.61 C ANISOU 1380 C LEU L 49 1677 1751 1741 266 -160 -82 C ATOM 1381 O LEU L 49 52.291 10.537 2.946 1.00 14.31 O ANISOU 1381 O LEU L 49 1796 1855 1786 258 -173 -165 O ATOM 1382 CB LEU L 49 52.699 13.604 3.517 1.00 13.98 C ANISOU 1382 CB LEU L 49 1760 1855 1696 312 -95 31 C ATOM 1383 CG LEU L 49 52.684 15.045 3.018 1.00 18.70 C ANISOU 1383 CG LEU L 49 2362 2488 2256 334 -82 116 C ATOM 1384 CD1 LEU L 49 54.066 15.648 3.237 1.00 26.31 C ANISOU 1384 CD1 LEU L 49 3359 3439 3198 341 -8 127 C ATOM 1385 CD2 LEU L 49 52.292 15.091 1.558 1.00 19.36 C ANISOU 1385 CD2 LEU L 49 2453 2663 2240 336 -146 130 C ATOM 0 H LEU L 49 50.431 13.510 4.830 1.00 12.40 H new ATOM 0 HA LEU L 49 51.203 12.739 2.369 1.00 12.62 H new ATOM 0 HB2 LEU L 49 52.886 13.623 4.469 1.00 13.98 H new ATOM 0 HB3 LEU L 49 53.444 13.152 3.090 1.00 13.98 H new ATOM 0 HG LEU L 49 52.028 15.562 3.511 1.00 18.70 H new ATOM 0 HD11 LEU L 49 54.072 16.566 2.924 1.00 26.31 H new ATOM 0 HD12 LEU L 49 54.282 15.628 4.182 1.00 26.31 H new ATOM 0 HD13 LEU L 49 54.725 15.134 2.744 1.00 26.31 H new ATOM 0 HD21 LEU L 49 52.286 16.012 1.253 1.00 19.36 H new ATOM 0 HD22 LEU L 49 52.931 14.582 1.035 1.00 19.36 H new ATOM 0 HD23 LEU L 49 51.407 14.709 1.448 1.00 19.36 H new ATOM 1386 N ILE L 50 51.538 11.011 5.015 1.00 12.55 N ANISOU 1386 N ILE L 50 1514 1551 1703 260 -130 -54 N ATOM 1387 CA ILE L 50 51.900 9.725 5.593 1.00 13.05 C ANISOU 1387 CA ILE L 50 1575 1547 1837 246 -114 -94 C ATOM 1388 C ILE L 50 50.810 9.334 6.577 1.00 12.19 C ANISOU 1388 C ILE L 50 1410 1390 1830 223 -116 -50 C ATOM 1389 O ILE L 50 50.357 10.170 7.360 1.00 12.17 O ANISOU 1389 O ILE L 50 1387 1400 1837 232 -86 17 O ATOM 1390 CB ILE L 50 53.225 9.819 6.378 1.00 12.39 C ANISOU 1390 CB ILE L 50 1516 1449 1744 271 -50 -70 C ATOM 1391 CG1 ILE L 50 54.405 10.138 5.463 1.00 16.21 C ANISOU 1391 CG1 ILE L 50 2040 1975 2143 293 -31 -109 C ATOM 1392 CG2 ILE L 50 53.497 8.526 7.163 1.00 13.89 C ANISOU 1392 CG2 ILE L 50 1687 1564 2026 265 -34 -71 C ATOM 1393 CD1 ILE L 50 54.801 9.019 4.543 1.00 17.60 C ANISOU 1393 CD1 ILE L 50 2234 2135 2320 293 -40 -203 C ATOM 0 H ILE L 50 51.153 11.545 5.569 1.00 12.55 H new ATOM 0 HA ILE L 50 52.001 9.078 4.878 1.00 13.05 H new ATOM 0 HB ILE L 50 53.129 10.550 7.008 1.00 12.39 H new ATOM 0 HG12 ILE L 50 54.184 10.917 4.929 1.00 16.21 H new ATOM 0 HG13 ILE L 50 55.169 10.377 6.011 1.00 16.21 H new ATOM 0 HG21 ILE L 50 54.334 8.611 7.647 1.00 13.89 H new ATOM 0 HG22 ILE L 50 52.775 8.371 7.792 1.00 13.89 H new ATOM 0 HG23 ILE L 50 53.554 7.779 6.547 1.00 13.89 H new ATOM 0 HD11 ILE L 50 55.553 9.299 3.998 1.00 17.60 H new ATOM 0 HD12 ILE L 50 55.053 8.243 5.067 1.00 17.60 H new ATOM 0 HD13 ILE L 50 54.053 8.792 3.969 1.00 17.60 H new ATOM 1394 N PHE L 51 50.387 8.075 6.548 1.00 12.91 N ANISOU 1394 N PHE L 51 1476 1420 2008 191 -142 -89 N ATOM 1395 CA PHE L 51 49.557 7.525 7.622 1.00 13.08 C ANISOU 1395 CA PHE L 51 1442 1386 2142 166 -123 -30 C ATOM 1396 C PHE L 51 50.095 6.156 8.005 1.00 13.06 C ANISOU 1396 C PHE L 51 1442 1292 2230 154 -103 -45 C ATOM 1397 O PHE L 51 50.914 5.578 7.281 1.00 14.82 O ANISOU 1397 O PHE L 51 1700 1486 2444 164 -112 -123 O ATOM 1398 CB PHE L 51 48.077 7.440 7.223 1.00 14.61 C ANISOU 1398 CB PHE L 51 1570 1584 2397 126 -181 -35 C ATOM 1399 CG PHE L 51 47.801 6.513 6.076 1.00 16.10 C ANISOU 1399 CG PHE L 51 1753 1750 2613 82 -256 -141 C ATOM 1400 CD1 PHE L 51 47.420 5.198 6.312 1.00 17.44 C ANISOU 1400 CD1 PHE L 51 1887 1821 2920 33 -263 -172 C ATOM 1401 CD2 PHE L 51 47.911 6.955 4.761 1.00 18.03 C ANISOU 1401 CD2 PHE L 51 2029 2075 2746 85 -318 -211 C ATOM 1402 CE1 PHE L 51 47.158 4.328 5.256 1.00 19.58 C ANISOU 1402 CE1 PHE L 51 2154 2061 3224 -18 -333 -297 C ATOM 1403 CE2 PHE L 51 47.647 6.093 3.696 1.00 19.02 C ANISOU 1403 CE2 PHE L 51 2155 2197 2875 36 -391 -331 C ATOM 1404 CZ PHE L 51 47.272 4.783 3.945 1.00 21.28 C ANISOU 1404 CZ PHE L 51 2407 2373 3305 -18 -399 -387 C ATOM 0 H PHE L 51 50.568 7.520 5.916 1.00 12.91 H new ATOM 0 HA PHE L 51 49.602 8.122 8.385 1.00 13.08 H new ATOM 0 HB2 PHE L 51 47.561 7.150 7.992 1.00 14.61 H new ATOM 0 HB3 PHE L 51 47.764 8.328 6.990 1.00 14.61 H new ATOM 0 HD1 PHE L 51 47.339 4.894 7.187 1.00 17.44 H new ATOM 0 HD2 PHE L 51 48.163 7.834 4.590 1.00 18.03 H new ATOM 0 HE1 PHE L 51 46.908 3.448 5.426 1.00 19.58 H new ATOM 0 HE2 PHE L 51 47.723 6.397 2.821 1.00 19.02 H new ATOM 0 HZ PHE L 51 47.096 4.207 3.236 1.00 21.28 H new ATOM 1405 N ASP L 52 49.650 5.641 9.149 1.00 14.47 N ANISOU 1405 N ASP L 52 1578 1421 2499 139 -68 38 N ATOM 1406 CA ASP L 52 50.137 4.352 9.640 1.00 14.14 C ANISOU 1406 CA ASP L 52 1528 1280 2564 134 -43 62 C ATOM 1407 C ASP L 52 51.668 4.309 9.688 1.00 13.84 C ANISOU 1407 C ASP L 52 1538 1247 2474 184 -16 57 C ATOM 1408 O ASP L 52 52.287 3.303 9.309 1.00 15.34 O ANISOU 1408 O ASP L 52 1734 1352 2744 194 -14 12 O ATOM 1409 CB ASP L 52 49.604 3.185 8.790 1.00 15.21 C ANISOU 1409 CB ASP L 52 1639 1315 2823 87 -87 -30 C ATOM 1410 CG ASP L 52 49.722 1.852 9.490 1.00 24.70 C ANISOU 1410 CG ASP L 52 2811 2386 4189 74 -51 26 C ATOM 1411 OD1 ASP L 52 49.245 1.755 10.636 1.00 27.91 O ANISOU 1411 OD1 ASP L 52 3175 2785 4644 63 -12 156 O ATOM 1412 OD2 ASP L 52 50.290 0.905 8.900 1.00 27.11 O ANISOU 1412 OD2 ASP L 52 3131 2591 4576 76 -55 -57 O ATOM 0 H ASP L 52 49.067 6.020 9.655 1.00 14.47 H new ATOM 0 HA ASP L 52 49.800 4.252 10.544 1.00 14.14 H new ATOM 0 HB2 ASP L 52 48.674 3.349 8.570 1.00 15.21 H new ATOM 0 HB3 ASP L 52 50.092 3.151 7.953 1.00 15.21 H new ATOM 1413 N VAL L 53 52.249 5.403 10.181 1.00 14.07 N ANISOU 1413 N VAL L 53 1592 1368 2386 214 7 102 N ATOM 1414 CA VAL L 53 53.701 5.586 10.343 1.00 12.75 C ANISOU 1414 CA VAL L 53 1453 1229 2161 257 28 111 C ATOM 1415 C VAL L 53 54.486 5.774 9.046 1.00 13.58 C ANISOU 1415 C VAL L 53 1595 1348 2217 279 16 7 C ATOM 1416 O VAL L 53 55.313 6.682 8.950 1.00 13.74 O ANISOU 1416 O VAL L 53 1639 1439 2144 301 30 6 O ATOM 1417 CB VAL L 53 54.362 4.488 11.201 1.00 15.57 C ANISOU 1417 CB VAL L 53 1784 1521 2610 275 51 193 C ATOM 1418 CG1 VAL L 53 55.863 4.714 11.269 1.00 17.06 C ANISOU 1418 CG1 VAL L 53 1985 1750 2748 320 62 202 C ATOM 1419 CG2 VAL L 53 53.780 4.511 12.595 1.00 18.85 C ANISOU 1419 CG2 VAL L 53 2171 1966 3026 257 73 318 C ATOM 0 H VAL L 53 51.795 6.086 10.441 1.00 14.07 H new ATOM 0 HA VAL L 53 53.753 6.429 10.819 1.00 12.75 H new ATOM 0 HB VAL L 53 54.190 3.624 10.795 1.00 15.57 H new ATOM 0 HG11 VAL L 53 56.271 4.020 11.810 1.00 17.06 H new ATOM 0 HG12 VAL L 53 56.235 4.686 10.374 1.00 17.06 H new ATOM 0 HG13 VAL L 53 56.042 5.580 11.667 1.00 17.06 H new ATOM 0 HG21 VAL L 53 54.198 3.819 13.132 1.00 18.85 H new ATOM 0 HG22 VAL L 53 53.944 5.377 13.000 1.00 18.85 H new ATOM 0 HG23 VAL L 53 52.824 4.351 12.550 1.00 18.85 H new ATOM 1420 N ASN L 54 54.241 4.915 8.062 1.00 15.00 N ANISOU 1420 N ASN L 54 1778 1462 2458 267 -4 -87 N ATOM 1421 CA ASN L 54 55.095 4.865 6.878 1.00 15.57 C ANISOU 1421 CA ASN L 54 1886 1548 2481 292 3 -192 C ATOM 1422 C ASN L 54 54.371 4.673 5.550 1.00 17.80 C ANISOU 1422 C ASN L 54 2191 1839 2735 259 -40 -316 C ATOM 1423 O ASN L 54 55.019 4.442 4.531 1.00 20.58 O ANISOU 1423 O ASN L 54 2575 2202 3042 275 -27 -419 O ATOM 1424 CB ASN L 54 56.169 3.774 7.041 1.00 16.27 C ANISOU 1424 CB ASN L 54 1961 1547 2672 331 45 -201 C ATOM 1425 CG ASN L 54 55.578 2.382 7.220 1.00 19.24 C ANISOU 1425 CG ASN L 54 2309 1784 3219 310 41 -217 C ATOM 1426 OD1 ASN L 54 54.378 2.166 7.061 1.00 19.26 O ANISOU 1426 OD1 ASN L 54 2301 1759 3256 257 3 -245 O ATOM 1427 ND2 ASN L 54 56.437 1.422 7.535 1.00 33.01 N ANISOU 1427 ND2 ASN L 54 4029 3429 5084 353 82 -195 N ATOM 0 H ASN L 54 53.589 4.355 8.059 1.00 15.00 H new ATOM 0 HA ASN L 54 55.494 5.748 6.828 1.00 15.57 H new ATOM 0 HB2 ASN L 54 56.747 3.777 6.262 1.00 16.27 H new ATOM 0 HB3 ASN L 54 56.724 3.985 7.808 1.00 16.27 H new ATOM 0 HD21 ASN L 54 56.161 0.614 7.635 1.00 33.01 H new ATOM 0 HD22 ASN L 54 57.270 1.608 7.639 1.00 33.01 H new ATOM 1428 N ASN L 55 53.046 4.771 5.542 1.00 14.95 N ANISOU 1428 N ASN L 55 1806 1483 2391 212 -91 -310 N ATOM 1429 CA ASN L 55 52.292 4.596 4.296 1.00 16.22 C ANISOU 1429 CA ASN L 55 1976 1673 2514 171 -154 -425 C ATOM 1430 C ASN L 55 51.984 5.911 3.603 1.00 16.95 C ANISOU 1430 C ASN L 55 2087 1900 2453 175 -191 -407 C ATOM 1431 O ASN L 55 51.535 6.862 4.240 1.00 16.98 O ANISOU 1431 O ASN L 55 2068 1944 2441 183 -190 -303 O ATOM 1432 CB ASN L 55 50.986 3.834 4.551 1.00 18.69 C ANISOU 1432 CB ASN L 55 2234 1913 2956 110 -201 -432 C ATOM 1433 CG ASN L 55 51.223 2.381 4.902 1.00 29.64 C ANISOU 1433 CG ASN L 55 3604 3145 4512 96 -170 -470 C ATOM 1434 OD1 ASN L 55 51.466 2.044 6.057 1.00 36.26 O ANISOU 1434 OD1 ASN L 55 4416 3914 5447 116 -122 -359 O ATOM 1435 ND2 ASN L 55 51.165 1.514 3.902 1.00 44.76 N ANISOU 1435 ND2 ASN L 55 5536 5008 6464 63 -197 -627 N ATOM 0 H ASN L 55 52.566 4.936 6.236 1.00 14.95 H new ATOM 0 HA ASN L 55 52.863 4.080 3.705 1.00 16.22 H new ATOM 0 HB2 ASN L 55 50.500 4.263 5.273 1.00 18.69 H new ATOM 0 HB3 ASN L 55 50.425 3.886 3.761 1.00 18.69 H new ATOM 0 HD21 ASN L 55 51.300 0.678 4.050 1.00 44.76 H new ATOM 0 HD22 ASN L 55 50.992 1.788 3.105 1.00 44.76 H new ATOM 1436 N ARG L 56 52.237 5.972 2.303 1.00 16.08 N ANISOU 1436 N ARG L 56 2018 1861 2231 172 -216 -506 N ATOM 1437 CA AARG L 56 51.937 7.163 1.513 0.50 17.32 C ANISOU 1437 CA AARG L 56 2190 2151 2240 176 -256 -473 C ATOM 1438 CA BARG L 56 51.958 7.160 1.503 0.50 18.10 C ANISOU 1438 CA BARG L 56 2290 2250 2338 177 -255 -474 C ATOM 1439 C ARG L 56 50.627 6.991 0.784 1.00 17.56 C ANISOU 1439 C ARG L 56 2189 2230 2254 122 -359 -518 C ATOM 1440 O ARG L 56 50.390 5.949 0.160 1.00 20.28 O ANISOU 1440 O ARG L 56 2538 2549 2618 77 -398 -651 O ATOM 1441 CB AARG L 56 53.014 7.405 0.461 0.50 20.51 C ANISOU 1441 CB AARG L 56 2655 2634 2502 204 -220 -534 C ATOM 1442 CB BARG L 56 53.050 7.357 0.443 0.50 21.14 C ANISOU 1442 CB BARG L 56 2737 2712 2583 204 -218 -540 C ATOM 1443 CG AARG L 56 54.264 8.064 0.979 0.50 22.24 C ANISOU 1443 CG AARG L 56 2892 2852 2705 256 -132 -459 C ATOM 1444 CG BARG L 56 54.370 7.948 0.943 0.50 19.54 C ANISOU 1444 CG BARG L 56 2553 2505 2365 257 -126 -472 C ATOM 1445 CD AARG L 56 55.383 7.859 -0.013 0.50 27.14 C ANISOU 1445 CD AARG L 56 3560 3523 3227 279 -77 -545 C ATOM 1446 CD BARG L 56 55.159 6.995 1.840 0.50 20.18 C ANISOU 1446 CD BARG L 56 2620 2469 2578 278 -66 -489 C ATOM 1447 NE AARG L 56 55.663 6.439 -0.194 0.50 31.70 N ANISOU 1447 NE AARG L 56 4144 4016 3883 274 -56 -682 N ATOM 1448 NE BARG L 56 55.530 5.756 1.168 0.50 20.84 N ANISOU 1448 NE BARG L 56 2722 2500 2696 276 -47 -631 N ATOM 1449 CZ AARG L 56 56.741 5.817 0.276 0.50 29.09 C ANISOU 1449 CZ AARG L 56 3806 3602 3644 314 23 -700 C ATOM 1450 CZ BARG L 56 56.702 5.543 0.579 0.50 29.63 C ANISOU 1450 CZ BARG L 56 3863 3630 3765 314 24 -698 C ATOM 1451 NH1AARG L 56 57.664 6.492 0.953 0.50 24.19 N ANISOU 1451 NH1AARG L 56 3168 2989 3032 353 78 -595 N ATOM 1452 NH1BARG L 56 56.942 4.380 -0.011 0.50 31.35 N ANISOU 1452 NH1BARG L 56 4097 3784 4030 314 50 -845 N ATOM 1453 NH2AARG L 56 56.898 4.516 0.060 0.50 30.04 N ANISOU 1453 NH2AARG L 56 3929 3627 3859 313 45 -827 N ATOM 1454 NH2BARG L 56 57.633 6.489 0.573 0.50 20.17 N ANISOU 1454 NH2BARG L 56 2672 2504 2488 350 76 -624 N ATOM 0 H AARG L 56 52.586 5.328 1.853 0.50 16.08 H new ATOM 0 H BARG L 56 52.578 5.322 1.855 0.50 16.08 H new ATOM 0 HA AARG L 56 51.895 7.912 2.127 0.50 18.10 H new ATOM 0 HA BARG L 56 51.931 7.928 2.095 0.50 18.10 H new ATOM 0 HB2AARG L 56 53.254 6.555 0.060 0.50 21.14 H new ATOM 0 HB2BARG L 56 53.236 6.498 0.032 0.50 21.14 H new ATOM 0 HB3AARG L 56 52.641 7.956 -0.245 0.50 21.14 H new ATOM 0 HB3BARG L 56 52.700 7.935 -0.253 0.50 21.14 H new ATOM 0 HG2AARG L 56 54.109 9.012 1.117 0.50 19.54 H new ATOM 0 HG2BARG L 56 54.917 8.191 0.180 0.50 19.54 H new ATOM 0 HG3AARG L 56 54.508 7.688 1.839 0.50 19.54 H new ATOM 0 HG3BARG L 56 54.186 8.765 1.433 0.50 19.54 H new ATOM 0 HD2AARG L 56 55.142 8.256 -0.865 0.50 20.18 H new ATOM 0 HD2BARG L 56 55.962 7.442 2.150 0.50 20.18 H new ATOM 0 HD3AARG L 56 56.182 8.313 0.296 0.50 20.18 H new ATOM 0 HD3BARG L 56 54.630 6.785 2.625 0.50 20.18 H new ATOM 0 HE AARG L 56 55.092 5.971 -0.635 0.50 20.84 H new ATOM 0 HE BARG L 56 54.951 5.120 1.152 0.50 20.84 H new ATOM 0 HH11AARG L 56 57.566 7.335 1.089 0.50 31.35 H new ATOM 0 HH11BARG L 56 56.340 3.766 -0.012 0.50 31.35 H new ATOM 0 HH12AARG L 56 58.359 6.085 1.255 0.50 31.35 H new ATOM 0 HH12BARG L 56 57.700 4.240 -0.393 0.50 31.35 H new ATOM 0 HH21AARG L 56 56.304 4.079 -0.382 0.50 20.17 H new ATOM 0 HH21BARG L 56 57.480 7.246 0.952 0.50 20.17 H new ATOM 0 HH22AARG L 56 57.594 4.111 0.362 0.50 20.17 H new ATOM 0 HH22BARG L 56 58.390 6.345 0.190 0.50 20.17 H new ATOM 1455 N PRO L 57 49.761 8.013 0.844 1.00 16.71 N ANISOU 1455 N PRO L 57 2042 2190 2118 124 -406 -413 N ATOM 1456 CA PRO L 57 48.538 7.983 0.035 1.00 18.59 C ANISOU 1456 CA PRO L 57 2235 2503 2326 77 -520 -439 C ATOM 1457 C PRO L 57 48.886 7.833 -1.434 1.00 21.43 C ANISOU 1457 C PRO L 57 2651 2979 2514 60 -568 -547 C ATOM 1458 O PRO L 57 49.978 8.234 -1.850 1.00 20.21 O ANISOU 1458 O PRO L 57 2563 2872 2246 101 -504 -549 O ATOM 1459 CB PRO L 57 47.924 9.363 0.276 1.00 18.87 C ANISOU 1459 CB PRO L 57 2226 2599 2344 112 -535 -284 C ATOM 1460 CG PRO L 57 48.394 9.729 1.653 1.00 17.71 C ANISOU 1460 CG PRO L 57 2079 2357 2292 152 -431 -203 C ATOM 1461 CD PRO L 57 49.803 9.182 1.740 1.00 15.48 C ANISOU 1461 CD PRO L 57 1869 2032 1982 168 -356 -271 C ATOM 0 HA PRO L 57 47.948 7.249 0.266 1.00 18.59 H new ATOM 0 HB2 PRO L 57 48.224 10.006 -0.385 1.00 18.87 H new ATOM 0 HB3 PRO L 57 46.956 9.335 0.226 1.00 18.87 H new ATOM 0 HG2 PRO L 57 48.381 10.690 1.785 1.00 17.71 H new ATOM 0 HG3 PRO L 57 47.823 9.341 2.334 1.00 17.71 H new ATOM 0 HD2 PRO L 57 50.460 9.834 1.449 1.00 15.48 H new ATOM 0 HD3 PRO L 57 50.035 8.931 2.648 1.00 15.48 H new ATOM 1462 N SER L 58 47.982 7.237 -2.197 1.00 22.01 N ANISOU 1462 N SER L 58 2694 3103 2566 -6 -676 -641 N ATOM 1463 CA SER L 58 48.167 7.142 -3.637 1.00 25.35 C ANISOU 1463 CA SER L 58 3170 3670 2794 -31 -736 -748 C ATOM 1464 C SER L 58 48.357 8.559 -4.164 1.00 27.05 C ANISOU 1464 C SER L 58 3403 4030 2847 23 -741 -601 C ATOM 1465 O SER L 58 47.627 9.475 -3.784 1.00 34.38 O ANISOU 1465 O SER L 58 4267 4976 3821 46 -777 -445 O ATOM 1466 CB SER L 58 46.956 6.477 -4.285 1.00 35.76 C ANISOU 1466 CB SER L 58 4433 5042 4113 -120 -878 -850 C ATOM 1467 OG SER L 58 46.730 5.195 -3.725 1.00 46.71 O ANISOU 1467 OG SER L 58 5794 6268 5685 -175 -866 -971 O ATOM 0 H SER L 58 47.256 6.882 -1.902 1.00 22.01 H new ATOM 0 HA SER L 58 48.941 6.598 -3.850 1.00 25.35 H new ATOM 0 HB2 SER L 58 46.171 7.033 -4.160 1.00 35.76 H new ATOM 0 HB3 SER L 58 47.098 6.397 -5.241 1.00 35.76 H new ATOM 0 HG SER L 58 46.060 4.843 -4.091 1.00 46.71 H new ATOM 1468 N GLY L 59 49.363 8.758 -5.003 1.00 31.88 N ANISOU 1468 N GLY L 59 4095 4732 3286 47 -691 -642 N ATOM 1469 CA GLY L 59 49.585 10.081 -5.555 1.00 31.12 C ANISOU 1469 CA GLY L 59 4014 4766 3042 94 -688 -488 C ATOM 1470 C GLY L 59 50.550 10.959 -4.780 1.00 25.49 C ANISOU 1470 C GLY L 59 3321 3977 2388 162 -561 -361 C ATOM 1471 O GLY L 59 51.000 11.980 -5.297 1.00 28.45 O ANISOU 1471 O GLY L 59 3720 4441 2648 198 -532 -248 O ATOM 0 H GLY L 59 49.918 8.153 -5.261 1.00 31.88 H new ATOM 0 HA2 GLY L 59 49.917 9.985 -6.461 1.00 31.12 H new ATOM 0 HA3 GLY L 59 48.731 10.538 -5.612 1.00 31.12 H new ATOM 1472 N VAL L 60 50.869 10.590 -3.542 1.00 19.02 N ANISOU 1472 N VAL L 60 2486 2996 1745 175 -488 -373 N ATOM 1473 CA VAL L 60 51.883 11.322 -2.800 1.00 19.84 C ANISOU 1473 CA VAL L 60 2608 3035 1895 226 -375 -282 C ATOM 1474 C VAL L 60 53.275 10.856 -3.225 1.00 21.31 C ANISOU 1474 C VAL L 60 2858 3231 2007 241 -283 -375 C ATOM 1475 O VAL L 60 53.513 9.659 -3.422 1.00 23.22 O ANISOU 1475 O VAL L 60 3121 3439 2264 220 -274 -527 O ATOM 1476 CB VAL L 60 51.688 11.184 -1.272 1.00 16.66 C ANISOU 1476 CB VAL L 60 2161 2483 1686 233 -339 -246 C ATOM 1477 CG1 VAL L 60 52.926 11.629 -0.524 1.00 16.29 C ANISOU 1477 CG1 VAL L 60 2139 2377 1676 271 -229 -202 C ATOM 1478 CG2 VAL L 60 50.471 11.991 -0.834 1.00 18.75 C ANISOU 1478 CG2 VAL L 60 2359 2745 2019 237 -394 -128 C ATOM 0 H VAL L 60 50.515 9.929 -3.121 1.00 19.02 H new ATOM 0 HA VAL L 60 51.791 12.265 -3.010 1.00 19.84 H new ATOM 0 HB VAL L 60 51.539 10.249 -1.061 1.00 16.66 H new ATOM 0 HG11 VAL L 60 52.780 11.533 0.430 1.00 16.29 H new ATOM 0 HG12 VAL L 60 53.680 11.081 -0.792 1.00 16.29 H new ATOM 0 HG13 VAL L 60 53.113 12.558 -0.731 1.00 16.29 H new ATOM 0 HG21 VAL L 60 50.352 11.902 0.125 1.00 18.75 H new ATOM 0 HG22 VAL L 60 50.604 12.925 -1.058 1.00 18.75 H new ATOM 0 HG23 VAL L 60 49.682 11.659 -1.290 1.00 18.75 H new ATOM 1479 N SER L 61 54.180 11.814 -3.394 1.00 19.10 N ANISOU 1479 N SER L 61 2603 2994 1663 278 -208 -283 N ATOM 1480 CA SER L 61 55.539 11.538 -3.837 1.00 20.04 C ANISOU 1480 CA SER L 61 2766 3136 1712 297 -108 -348 C ATOM 1481 C SER L 61 56.274 10.566 -2.933 1.00 22.14 C ANISOU 1481 C SER L 61 3022 3269 2121 308 -43 -436 C ATOM 1482 O SER L 61 56.236 10.679 -1.706 1.00 19.96 O ANISOU 1482 O SER L 61 2709 2887 1988 316 -34 -376 O ATOM 1483 CB SER L 61 56.333 12.840 -3.875 1.00 21.84 C ANISOU 1483 CB SER L 61 2997 3399 1901 328 -35 -204 C ATOM 1484 OG SER L 61 57.692 12.567 -4.162 1.00 26.01 O ANISOU 1484 OG SER L 61 3550 3941 2392 347 72 -258 O ATOM 0 H SER L 61 54.021 12.647 -3.254 1.00 19.10 H new ATOM 0 HA SER L 61 55.467 11.134 -4.716 1.00 20.04 H new ATOM 0 HB2 SER L 61 55.965 13.433 -4.548 1.00 21.84 H new ATOM 0 HB3 SER L 61 56.260 13.298 -3.023 1.00 21.84 H new ATOM 0 HG SER L 61 57.902 12.925 -4.892 1.00 26.01 H new ATOM 1485 N HIS L 62 56.977 9.626 -3.550 1.00 24.04 N ANISOU 1485 N HIS L 62 3295 3521 2319 313 8 -574 N ATOM 1486 CA AHIS L 62 57.706 8.697 -2.708 0.50 22.71 C ANISOU 1486 CA AHIS L 62 3105 3219 2305 335 71 -637 C ATOM 1487 CA BHIS L 62 57.849 8.650 -2.907 0.50 20.94 C ANISOU 1487 CA BHIS L 62 2888 3009 2060 338 82 -654 C ATOM 1488 C HIS L 62 58.994 9.294 -2.137 1.00 20.80 C ANISOU 1488 C HIS L 62 2841 2955 2107 376 166 -548 C ATOM 1489 O HIS L 62 59.714 8.619 -1.396 1.00 20.86 O ANISOU 1489 O HIS L 62 2819 2865 2242 402 215 -573 O ATOM 1490 CB AHIS L 62 57.887 7.327 -3.366 0.50 24.65 C ANISOU 1490 CB AHIS L 62 3378 3436 2553 330 93 -829 C ATOM 1491 CB BHIS L 62 58.476 7.780 -3.993 0.50 26.53 C ANISOU 1491 CB BHIS L 62 3638 3761 2681 346 142 -820 C ATOM 1492 CG AHIS L 62 56.659 6.471 -3.293 0.50 29.41 C ANISOU 1492 CG AHIS L 62 3972 3979 3223 279 -4 -916 C ATOM 1493 CG BHIS L 62 59.545 8.486 -4.775 0.50 31.97 C ANISOU 1493 CG BHIS L 62 4350 4566 3230 377 237 -786 C ATOM 1494 ND1AHIS L 62 56.705 5.094 -3.344 0.50 31.63 N ANISOU 1494 ND1AHIS L 62 4257 4152 3609 268 13 -1076 N ATOM 1495 ND1BHIS L 62 59.264 9.337 -5.819 0.50 34.30 N ANISOU 1495 ND1BHIS L 62 4683 5026 3324 360 215 -736 N ATOM 1496 CD2AHIS L 62 55.350 6.799 -3.168 0.50 26.37 C ANISOU 1496 CD2AHIS L 62 3566 3619 2836 234 -115 -863 C ATOM 1497 CD2BHIS L 62 60.894 8.482 -4.642 0.50 26.60 C ANISOU 1497 CD2BHIS L 62 3651 3865 2591 422 356 -778 C ATOM 1498 CE1AHIS L 62 55.478 4.611 -3.254 0.50 30.78 C ANISOU 1498 CE1AHIS L 62 4132 4005 3559 209 -86 -1120 C ATOM 1499 CE1BHIS L 62 60.396 9.821 -6.307 0.50 32.02 C ANISOU 1499 CE1BHIS L 62 4403 4810 2955 391 326 -699 C ATOM 1500 NE2AHIS L 62 54.638 5.624 -3.143 0.50 34.85 N ANISOU 1500 NE2AHIS L 62 4626 4607 4008 189 -166 -990 N ATOM 1501 NE2BHIS L 62 61.396 9.319 -5.609 0.50 35.36 N ANISOU 1501 NE2BHIS L 62 4787 5121 3526 428 414 -729 N ATOM 0 H AHIS L 62 57.044 9.512 -4.400 0.50 24.04 H new ATOM 0 H BHIS L 62 56.958 9.534 -4.405 0.50 24.04 H new ATOM 0 HA AHIS L 62 57.149 8.532 -1.931 0.50 20.94 H new ATOM 0 HA BHIS L 62 57.304 8.146 -2.283 0.50 20.94 H new ATOM 0 HB2AHIS L 62 58.133 7.451 -4.296 0.50 26.53 H new ATOM 0 HB2BHIS L 62 58.854 6.986 -3.584 0.50 26.53 H new ATOM 0 HB3AHIS L 62 58.623 6.863 -2.937 0.50 26.53 H new ATOM 0 HB3BHIS L 62 57.782 7.483 -4.602 0.50 26.53 H new ATOM 0 HD1AHIS L 62 57.420 4.623 -3.422 0.50 34.30 H new ATOM 0 HD1BHIS L 62 58.477 9.525 -6.109 0.50 34.30 H new ATOM 0 HD2AHIS L 62 54.999 7.658 -3.110 0.50 26.60 H new ATOM 0 HD2BHIS L 62 61.386 8.003 -4.015 0.50 26.60 H new ATOM 0 HE1AHIS L 62 55.246 3.711 -3.267 0.50 32.02 H new ATOM 0 HE1BHIS L 62 60.473 10.413 -7.020 0.50 32.02 H new ATOM 1502 N ARG L 63 59.219 10.585 -2.391 1.00 18.44 N ANISOU 1502 N ARG L 63 2547 2739 1722 379 183 -430 N ATOM 1503 CA ARG L 63 60.280 11.326 -1.703 1.00 17.95 C ANISOU 1503 CA ARG L 63 2451 2648 1720 399 255 -334 C ATOM 1504 C ARG L 63 59.971 11.499 -0.219 1.00 15.97 C ANISOU 1504 C ARG L 63 2160 2294 1614 392 218 -267 C ATOM 1505 O ARG L 63 60.860 11.818 0.573 1.00 16.96 O ANISOU 1505 O ARG L 63 2249 2383 1811 401 262 -217 O ATOM 1506 CB ARG L 63 60.482 12.709 -2.333 1.00 17.85 C ANISOU 1506 CB ARG L 63 2451 2731 1602 394 281 -218 C ATOM 1507 CG ARG L 63 60.988 12.680 -3.768 1.00 19.10 C ANISOU 1507 CG ARG L 63 2648 3017 1594 403 339 -257 C ATOM 1508 CD ARG L 63 61.387 14.070 -4.263 1.00 21.57 C ANISOU 1508 CD ARG L 63 2960 3406 1828 400 385 -109 C ATOM 1509 NE ARG L 63 60.268 15.015 -4.279 1.00 21.50 N ANISOU 1509 NE ARG L 63 2958 3413 1799 384 302 7 N ATOM 1510 CZ ARG L 63 60.097 15.988 -3.390 1.00 19.87 C ANISOU 1510 CZ ARG L 63 2719 3122 1710 377 291 118 C ATOM 1511 NH1 ARG L 63 60.969 16.148 -2.405 1.00 19.67 N ANISOU 1511 NH1 ARG L 63 2657 3007 1812 374 345 122 N ATOM 1512 NH2 ARG L 63 59.052 16.810 -3.487 1.00 21.84 N ANISOU 1512 NH2 ARG L 63 2967 3378 1953 373 224 220 N ATOM 0 H ARG L 63 58.769 11.050 -2.958 1.00 18.44 H new ATOM 0 HA ARG L 63 61.093 10.805 -1.797 1.00 17.95 H new ATOM 0 HB2 ARG L 63 59.640 13.189 -2.309 1.00 17.85 H new ATOM 0 HB3 ARG L 63 61.110 13.211 -1.790 1.00 17.85 H new ATOM 0 HG2 ARG L 63 61.751 12.085 -3.829 1.00 19.10 H new ATOM 0 HG3 ARG L 63 60.298 12.317 -4.346 1.00 19.10 H new ATOM 0 HD2 ARG L 63 62.091 14.420 -3.695 1.00 21.57 H new ATOM 0 HD3 ARG L 63 61.754 13.996 -5.158 1.00 21.57 H new ATOM 0 HE ARG L 63 59.683 14.935 -4.905 1.00 21.50 H new ATOM 0 HH11 ARG L 63 61.646 15.622 -2.341 1.00 19.67 H new ATOM 0 HH12 ARG L 63 60.858 16.778 -1.830 1.00 19.67 H new ATOM 0 HH21 ARG L 63 58.485 16.712 -4.127 1.00 21.84 H new ATOM 0 HH22 ARG L 63 58.944 17.439 -2.910 1.00 21.84 H new ATOM 1513 N PHE L 64 58.705 11.336 0.157 1.00 14.62 N ANISOU 1513 N PHE L 64 1988 2090 1477 370 137 -264 N ATOM 1514 CA PHE L 64 58.301 11.434 1.558 1.00 14.75 C ANISOU 1514 CA PHE L 64 1971 2023 1613 362 111 -209 C ATOM 1515 C PHE L 64 58.255 10.046 2.161 1.00 14.75 C ANISOU 1515 C PHE L 64 1951 1937 1715 365 102 -276 C ATOM 1516 O PHE L 64 57.634 9.144 1.595 1.00 16.95 O ANISOU 1516 O PHE L 64 2243 2201 1995 353 68 -363 O ATOM 1517 CB PHE L 64 56.916 12.081 1.663 1.00 14.96 C ANISOU 1517 CB PHE L 64 1993 2058 1633 341 44 -153 C ATOM 1518 CG PHE L 64 56.882 13.509 1.219 1.00 13.86 C ANISOU 1518 CG PHE L 64 1862 1975 1429 344 54 -60 C ATOM 1519 CD1 PHE L 64 56.338 13.851 -0.004 1.00 17.53 C ANISOU 1519 CD1 PHE L 64 2348 2528 1786 343 16 -42 C ATOM 1520 CD2 PHE L 64 57.396 14.509 2.032 1.00 15.80 C ANISOU 1520 CD2 PHE L 64 2093 2185 1726 345 98 13 C ATOM 1521 CE1 PHE L 64 56.311 15.175 -0.420 1.00 18.76 C ANISOU 1521 CE1 PHE L 64 2506 2725 1898 352 29 71 C ATOM 1522 CE2 PHE L 64 57.372 15.838 1.622 1.00 17.09 C ANISOU 1522 CE2 PHE L 64 2261 2374 1860 347 116 103 C ATOM 1523 CZ PHE L 64 56.826 16.166 0.396 1.00 19.37 C ANISOU 1523 CZ PHE L 64 2566 2739 2053 355 84 143 C ATOM 0 H PHE L 64 58.061 11.167 -0.387 1.00 14.62 H new ATOM 0 HA PHE L 64 58.942 11.981 2.038 1.00 14.75 H new ATOM 0 HB2 PHE L 64 56.288 11.570 1.129 1.00 14.96 H new ATOM 0 HB3 PHE L 64 56.613 12.030 2.583 1.00 14.96 H new ATOM 0 HD1 PHE L 64 55.987 13.188 -0.554 1.00 17.53 H new ATOM 0 HD2 PHE L 64 57.760 14.289 2.859 1.00 15.80 H new ATOM 0 HE1 PHE L 64 55.947 15.396 -1.247 1.00 18.76 H new ATOM 0 HE2 PHE L 64 57.722 16.503 2.171 1.00 17.09 H new ATOM 0 HZ PHE L 64 56.805 17.054 0.119 1.00 19.37 H new ATOM 1524 N SER L 65 58.901 9.869 3.309 1.00 13.59 N ANISOU 1524 N SER L 65 1771 1734 1659 377 129 -234 N ATOM 1525 CA SER L 65 58.847 8.589 4.012 1.00 12.83 C ANISOU 1525 CA SER L 65 1648 1548 1677 385 121 -261 C ATOM 1526 C SER L 65 58.707 8.816 5.505 1.00 12.73 C ANISOU 1526 C SER L 65 1603 1504 1728 376 108 -166 C ATOM 1527 O SER L 65 59.070 9.880 6.019 1.00 14.10 O ANISOU 1527 O SER L 65 1771 1721 1864 369 119 -106 O ATOM 1528 CB SER L 65 60.062 7.716 3.699 1.00 15.87 C ANISOU 1528 CB SER L 65 2020 1902 2109 425 180 -316 C ATOM 1529 OG SER L 65 61.266 8.331 4.112 1.00 20.81 O ANISOU 1529 OG SER L 65 2614 2563 2730 445 223 -254 O ATOM 0 H SER L 65 59.374 10.473 3.697 1.00 13.59 H new ATOM 0 HA SER L 65 58.066 8.109 3.696 1.00 12.83 H new ATOM 0 HB2 SER L 65 59.968 6.858 4.142 1.00 15.87 H new ATOM 0 HB3 SER L 65 60.098 7.540 2.746 1.00 15.87 H new ATOM 0 HG SER L 65 61.562 8.814 3.491 1.00 20.81 H new ATOM 1530 N GLY L 66 58.156 7.828 6.203 1.00 14.37 N ANISOU 1530 N GLY L 66 1789 1639 2031 370 87 -156 N ATOM 1531 CA GLY L 66 57.927 7.976 7.628 1.00 14.48 C ANISOU 1531 CA GLY L 66 1775 1643 2083 359 78 -63 C ATOM 1532 C GLY L 66 58.490 6.807 8.409 1.00 15.01 C ANISOU 1532 C GLY L 66 1804 1644 2254 382 89 -21 C ATOM 1533 O GLY L 66 58.611 5.693 7.891 1.00 16.68 O ANISOU 1533 O GLY L 66 2009 1778 2550 401 99 -73 O ATOM 0 H GLY L 66 57.911 7.073 5.872 1.00 14.37 H new ATOM 0 HA2 GLY L 66 58.335 8.799 7.938 1.00 14.48 H new ATOM 0 HA3 GLY L 66 56.975 8.050 7.797 1.00 14.48 H new ATOM 1534 N SER L 67 58.844 7.070 9.663 1.00 13.65 N ANISOU 1534 N SER L 67 1605 1503 2076 380 87 73 N ATOM 1535 CA ASER L 67 59.306 6.036 10.574 0.50 13.28 C ANISOU 1535 CA ASER L 67 1514 1411 2121 403 87 154 C ATOM 1536 CA BSER L 67 59.335 6.047 10.569 0.50 14.79 C ANISOU 1536 CA BSER L 67 1705 1603 2311 404 88 153 C ATOM 1537 C SER L 67 59.010 6.471 11.997 1.00 13.12 C ANISOU 1537 C SER L 67 1481 1453 2051 377 72 255 C ATOM 1538 O SER L 67 58.554 7.591 12.237 1.00 12.90 O ANISOU 1538 O SER L 67 1479 1493 1929 345 70 241 O ATOM 1539 CB ASER L 67 60.807 5.805 10.405 0.50 16.66 C ANISOU 1539 CB ASER L 67 1907 1847 2577 449 106 160 C ATOM 1540 CB BSER L 67 60.848 5.857 10.386 0.50 18.04 C ANISOU 1540 CB BSER L 67 2082 2026 2748 449 107 159 C ATOM 1541 OG ASER L 67 61.542 6.951 10.797 0.50 17.40 O ANISOU 1541 OG ASER L 67 1992 2044 2575 435 100 185 O ATOM 1542 OG BSER L 67 61.357 4.835 11.224 0.50 23.94 O ANISOU 1542 OG BSER L 67 2774 2727 3597 483 102 256 O ATOM 0 H ASER L 67 58.822 7.857 10.008 0.50 13.65 H new ATOM 0 H BSER L 67 58.804 7.855 10.012 0.50 13.65 H new ATOM 0 HA ASER L 67 58.846 5.205 10.377 0.50 14.79 H new ATOM 0 HA BSER L 67 58.906 5.198 10.378 0.50 14.79 H new ATOM 0 HB2ASER L 67 61.083 5.042 10.937 0.50 18.04 H new ATOM 0 HB2BSER L 67 61.037 5.639 9.460 0.50 18.04 H new ATOM 0 HB3ASER L 67 61.003 5.591 9.479 0.50 18.04 H new ATOM 0 HB3BSER L 67 61.304 6.691 10.580 0.50 18.04 H new ATOM 0 HG ASER L 67 61.563 7.501 10.163 0.50 23.94 H new ATOM 0 HG BSER L 67 61.763 5.181 11.873 0.50 23.94 H new ATOM 1543 N LYS L 68 59.242 5.577 12.941 1.00 14.64 N ANISOU 1543 N LYS L 68 1633 1622 2307 393 66 359 N ATOM 1544 CA LYS L 68 59.149 5.940 14.353 1.00 15.39 C ANISOU 1544 CA LYS L 68 1716 1807 2326 369 52 461 C ATOM 1545 C LYS L 68 60.048 5.044 15.175 1.00 17.04 C ANISOU 1545 C LYS L 68 1867 2019 2589 404 34 587 C ATOM 1546 O LYS L 68 60.374 3.925 14.767 1.00 17.96 O ANISOU 1546 O LYS L 68 1950 2028 2844 447 43 611 O ATOM 1547 CB LYS L 68 57.712 5.944 14.879 1.00 20.79 C ANISOU 1547 CB LYS L 68 2416 2484 2998 332 67 488 C ATOM 1548 CG LYS L 68 57.117 4.595 15.164 1.00 21.22 C ANISOU 1548 CG LYS L 68 2440 2442 3181 338 77 571 C ATOM 1549 CD LYS L 68 55.910 4.753 16.074 1.00 24.14 C ANISOU 1549 CD LYS L 68 2810 2850 3512 298 100 634 C ATOM 1550 CE LYS L 68 55.325 3.407 16.420 1.00 25.38 C ANISOU 1550 CE LYS L 68 2927 2906 3811 296 117 738 C ATOM 1551 NZ LYS L 68 54.495 3.455 17.649 1.00 23.49 N ANISOU 1551 NZ LYS L 68 2674 2735 3516 263 151 852 N ATOM 0 H LYS L 68 59.454 4.757 12.792 1.00 14.64 H new ATOM 0 HA LYS L 68 59.456 6.856 14.440 1.00 15.39 H new ATOM 0 HB2 LYS L 68 57.685 6.469 15.694 1.00 20.79 H new ATOM 0 HB3 LYS L 68 57.150 6.397 14.231 1.00 20.79 H new ATOM 0 HG2 LYS L 68 56.855 4.165 14.335 1.00 21.22 H new ATOM 0 HG3 LYS L 68 57.778 4.022 15.584 1.00 21.22 H new ATOM 0 HD2 LYS L 68 56.169 5.217 16.886 1.00 24.14 H new ATOM 0 HD3 LYS L 68 55.239 5.300 15.637 1.00 24.14 H new ATOM 0 HE2 LYS L 68 54.785 3.091 15.679 1.00 25.38 H new ATOM 0 HE3 LYS L 68 56.043 2.766 16.541 1.00 25.38 H new ATOM 0 HZ1 LYS L 68 54.754 2.813 18.208 1.00 23.49 H new ATOM 0 HZ2 LYS L 68 54.592 4.247 18.043 1.00 23.49 H new ATOM 0 HZ3 LYS L 68 53.640 3.334 17.435 1.00 23.49 H new ATOM 1552 N SER L 69 60.492 5.573 16.309 1.00 16.90 N ANISOU 1552 N SER L 69 1834 2126 2461 385 7 664 N ATOM 1553 CA SER L 69 61.310 4.842 17.259 1.00 18.92 C ANISOU 1553 CA SER L 69 2027 2424 2739 413 -28 812 C ATOM 1554 C SER L 69 60.897 5.309 18.650 1.00 18.52 C ANISOU 1554 C SER L 69 1987 2511 2537 366 -45 893 C ATOM 1555 O SER L 69 61.049 6.486 18.977 1.00 19.36 O ANISOU 1555 O SER L 69 2123 2733 2502 322 -58 823 O ATOM 1556 CB SER L 69 62.789 5.136 17.011 1.00 25.68 C ANISOU 1556 CB SER L 69 2834 3329 3593 440 -60 800 C ATOM 1557 OG SER L 69 63.612 4.432 17.926 1.00 30.99 O ANISOU 1557 OG SER L 69 3435 4052 4289 467 -103 950 O ATOM 0 H SER L 69 60.322 6.381 16.550 1.00 16.90 H new ATOM 0 HA SER L 69 61.183 3.885 17.168 1.00 18.92 H new ATOM 0 HB2 SER L 69 63.023 4.887 16.103 1.00 25.68 H new ATOM 0 HB3 SER L 69 62.950 6.089 17.094 1.00 25.68 H new ATOM 0 HG SER L 69 64.419 4.608 17.770 1.00 30.99 H new ATOM 1558 N GLY L 70 60.359 4.401 19.456 1.00 19.48 N ANISOU 1558 N GLY L 70 2089 2621 2690 372 -38 1036 N ATOM 1559 CA GLY L 70 59.868 4.763 20.779 1.00 19.49 C ANISOU 1559 CA GLY L 70 2105 2766 2532 328 -39 1116 C ATOM 1560 C GLY L 70 58.798 5.837 20.680 1.00 18.66 C ANISOU 1560 C GLY L 70 2068 2690 2333 276 10 981 C ATOM 1561 O GLY L 70 57.827 5.689 19.932 1.00 21.10 O ANISOU 1561 O GLY L 70 2398 2884 2737 276 55 920 O ATOM 0 H GLY L 70 60.269 3.570 19.255 1.00 19.48 H new ATOM 0 HA2 GLY L 70 59.506 3.979 21.220 1.00 19.49 H new ATOM 0 HA3 GLY L 70 60.603 5.082 21.326 1.00 19.49 H new ATOM 1562 N ASN L 71 58.989 6.940 21.397 1.00 19.15 N ANISOU 1562 N ASN L 71 2158 2901 2218 233 0 927 N ATOM 1563 CA ASN L 71 57.994 8.003 21.414 1.00 18.47 C ANISOU 1563 CA ASN L 71 2128 2835 2053 192 57 804 C ATOM 1564 C ASN L 71 58.199 9.102 20.372 1.00 16.77 C ANISOU 1564 C ASN L 71 1945 2569 1858 185 60 636 C ATOM 1565 O ASN L 71 57.512 10.122 20.418 1.00 17.09 O ANISOU 1565 O ASN L 71 2027 2626 1842 156 105 535 O ATOM 1566 CB ASN L 71 57.925 8.630 22.813 1.00 18.82 C ANISOU 1566 CB ASN L 71 2195 3059 1896 144 66 818 C ATOM 1567 CG ASN L 71 57.473 7.654 23.868 1.00 29.60 C ANISOU 1567 CG ASN L 71 3537 4490 3219 146 83 995 C ATOM 1568 OD1 ASN L 71 56.756 6.699 23.582 1.00 25.47 O ANISOU 1568 OD1 ASN L 71 2991 3855 2830 172 119 1085 O ATOM 1569 ND2 ASN L 71 57.888 7.893 25.103 1.00 30.02 N ANISOU 1569 ND2 ASN L 71 3595 4731 3081 113 58 1049 N ATOM 0 H ASN L 71 59.686 7.091 21.878 1.00 19.15 H new ATOM 0 HA ASN L 71 57.158 7.572 21.178 1.00 18.47 H new ATOM 0 HB2 ASN L 71 58.799 8.976 23.051 1.00 18.82 H new ATOM 0 HB3 ASN L 71 57.317 9.385 22.795 1.00 18.82 H new ATOM 0 HD21 ASN L 71 57.656 7.368 25.744 1.00 30.02 H new ATOM 0 HD22 ASN L 71 58.390 8.573 25.264 1.00 30.02 H new ATOM 1570 N THR L 72 59.134 8.908 19.439 1.00 16.25 N ANISOU 1570 N THR L 72 1855 2440 1878 214 21 613 N ATOM 1571 CA THR L 72 59.424 9.922 18.429 1.00 15.23 C ANISOU 1571 CA THR L 72 1751 2272 1764 207 27 479 C ATOM 1572 C THR L 72 59.197 9.379 17.024 1.00 14.67 C ANISOU 1572 C THR L 72 1679 2066 1828 248 41 447 C ATOM 1573 O THR L 72 59.736 8.320 16.666 1.00 17.96 O ANISOU 1573 O THR L 72 2059 2428 2337 288 22 503 O ATOM 1574 CB THR L 72 60.884 10.453 18.542 1.00 17.14 C ANISOU 1574 CB THR L 72 1964 2589 1958 192 -23 457 C ATOM 1575 OG1 THR L 72 61.086 11.041 19.838 1.00 23.04 O ANISOU 1575 OG1 THR L 72 2717 3477 2561 140 -46 460 O ATOM 1576 CG2 THR L 72 61.174 11.492 17.475 1.00 21.59 C ANISOU 1576 CG2 THR L 72 2550 3104 2550 181 -5 338 C ATOM 0 H THR L 72 59.610 8.195 19.376 1.00 16.25 H new ATOM 0 HA THR L 72 58.813 10.657 18.593 1.00 15.23 H new ATOM 0 HB THR L 72 61.487 9.703 18.417 1.00 17.14 H new ATOM 0 HG1 THR L 72 61.874 11.325 19.897 1.00 23.04 H new ATOM 0 HG21 THR L 72 62.087 11.805 17.568 1.00 21.59 H new ATOM 0 HG22 THR L 72 61.056 11.096 16.597 1.00 21.59 H new ATOM 0 HG23 THR L 72 60.564 12.240 17.577 1.00 21.59 H new ATOM 1577 N ALA L 73 58.406 10.102 16.243 1.00 12.68 N ANISOU 1577 N ALA L 73 1464 1765 1587 240 73 357 N ATOM 1578 CA ALA L 73 58.174 9.782 14.842 1.00 12.72 C ANISOU 1578 CA ALA L 73 1476 1673 1683 267 78 308 C ATOM 1579 C ALA L 73 59.007 10.717 13.982 1.00 13.78 C ANISOU 1579 C ALA L 73 1624 1819 1794 267 77 235 C ATOM 1580 O ALA L 73 59.374 11.820 14.416 1.00 14.09 O ANISOU 1580 O ALA L 73 1674 1916 1765 236 81 205 O ATOM 1581 CB ALA L 73 56.693 9.917 14.508 1.00 15.21 C ANISOU 1581 CB ALA L 73 1811 1942 2025 258 103 281 C ATOM 0 H ALA L 73 57.984 10.800 16.515 1.00 12.68 H new ATOM 0 HA ALA L 73 58.436 8.865 14.666 1.00 12.72 H new ATOM 0 HB1 ALA L 73 56.551 9.702 13.573 1.00 15.21 H new ATOM 0 HB2 ALA L 73 56.179 9.308 15.061 1.00 15.21 H new ATOM 0 HB3 ALA L 73 56.405 10.828 14.677 1.00 15.21 H new ATOM 1582 N SER L 74 59.297 10.307 12.755 1.00 13.08 N ANISOU 1582 N SER L 74 1534 1674 1762 296 78 200 N ATOM 1583 CA ASER L 74 60.129 11.096 11.850 0.50 11.49 C ANISOU 1583 CA ASER L 74 1340 1487 1539 298 89 147 C ATOM 1584 CA BSER L 74 60.074 11.153 11.861 0.50 13.02 C ANISOU 1584 CA BSER L 74 1535 1681 1729 296 90 146 C ATOM 1585 C SER L 74 59.580 11.084 10.432 1.00 13.37 C ANISOU 1585 C SER L 74 1607 1679 1793 315 103 92 C ATOM 1586 O SER L 74 59.200 10.022 9.927 1.00 14.84 O ANISOU 1586 O SER L 74 1793 1814 2032 336 96 78 O ATOM 1587 CB ASER L 74 61.563 10.555 11.844 0.50 14.01 C ANISOU 1587 CB ASER L 74 1611 1823 1890 322 82 172 C ATOM 1588 CB BSER L 74 61.558 10.793 11.921 0.50 19.45 C ANISOU 1588 CB BSER L 74 2302 2522 2565 314 82 169 C ATOM 1589 OG ASER L 74 62.174 10.705 13.114 0.50 14.33 O ANISOU 1589 OG ASER L 74 1616 1933 1897 300 53 228 O ATOM 1590 OG BSER L 74 61.803 9.528 11.344 0.50 24.56 O ANISOU 1590 OG BSER L 74 2928 3110 3293 362 88 175 O ATOM 0 H ASER L 74 59.019 9.565 12.421 0.50 13.08 H new ATOM 0 H BSER L 74 59.057 9.551 12.423 0.50 13.08 H new ATOM 0 HA ASER L 74 60.124 12.011 12.172 0.50 13.02 H new ATOM 0 HA BSER L 74 59.957 12.065 12.169 0.50 13.02 H new ATOM 0 HB2ASER L 74 61.556 9.618 11.594 0.50 19.45 H new ATOM 0 HB2BSER L 74 62.076 11.469 11.456 0.50 19.45 H new ATOM 0 HB3ASER L 74 62.085 11.023 11.174 0.50 19.45 H new ATOM 0 HB3BSER L 74 61.856 10.793 12.844 0.50 19.45 H new ATOM 0 HG ASER L 74 61.992 10.039 13.593 0.50 24.56 H new ATOM 0 HG BSER L 74 61.846 9.604 10.509 0.50 24.56 H new ATOM 1591 N LEU L 75 59.572 12.244 9.794 1.00 11.57 N ANISOU 1591 N LEU L 75 1404 1471 1521 301 119 63 N ATOM 1592 CA LEU L 75 59.246 12.373 8.386 1.00 11.51 C ANISOU 1592 CA LEU L 75 1422 1453 1498 316 126 26 C ATOM 1593 C LEU L 75 60.539 12.717 7.676 1.00 13.12 C ANISOU 1593 C LEU L 75 1618 1687 1680 325 158 14 C ATOM 1594 O LEU L 75 61.227 13.679 8.042 1.00 14.45 O ANISOU 1594 O LEU L 75 1773 1880 1836 301 175 33 O ATOM 1595 CB LEU L 75 58.248 13.514 8.189 1.00 11.82 C ANISOU 1595 CB LEU L 75 1486 1494 1511 300 127 33 C ATOM 1596 CG LEU L 75 57.925 13.850 6.733 1.00 12.25 C ANISOU 1596 CG LEU L 75 1564 1563 1528 312 124 21 C ATOM 1597 CD1 LEU L 75 57.085 12.741 6.095 1.00 15.14 C ANISOU 1597 CD1 LEU L 75 1934 1918 1902 322 85 -16 C ATOM 1598 CD2 LEU L 75 57.210 15.200 6.679 1.00 15.88 C ANISOU 1598 CD2 LEU L 75 2033 2019 1982 304 132 58 C ATOM 0 H LEU L 75 59.760 12.992 10.175 1.00 11.57 H new ATOM 0 HA LEU L 75 58.853 11.556 8.042 1.00 11.51 H new ATOM 0 HB2 LEU L 75 57.423 13.285 8.644 1.00 11.82 H new ATOM 0 HB3 LEU L 75 58.598 14.309 8.620 1.00 11.82 H new ATOM 0 HG LEU L 75 58.747 13.913 6.222 1.00 12.25 H new ATOM 0 HD11 LEU L 75 56.891 12.972 5.173 1.00 15.14 H new ATOM 0 HD12 LEU L 75 57.577 11.906 6.122 1.00 15.14 H new ATOM 0 HD13 LEU L 75 56.254 12.642 6.585 1.00 15.14 H new ATOM 0 HD21 LEU L 75 57.002 15.420 5.757 1.00 15.88 H new ATOM 0 HD22 LEU L 75 56.389 15.152 7.193 1.00 15.88 H new ATOM 0 HD23 LEU L 75 57.785 15.886 7.052 1.00 15.88 H new ATOM 1599 N THR L 76 60.887 11.937 6.666 1.00 12.75 N ANISOU 1599 N THR L 76 1574 1636 1634 354 173 -24 N ATOM 1600 CA THR L 76 62.061 12.235 5.858 1.00 12.49 C ANISOU 1600 CA THR L 76 1530 1641 1577 367 221 -35 C ATOM 1601 C THR L 76 61.621 12.696 4.477 1.00 15.10 C ANISOU 1601 C THR L 76 1904 2006 1828 369 237 -58 C ATOM 1602 O THR L 76 60.720 12.113 3.876 1.00 15.56 O ANISOU 1602 O THR L 76 1992 2057 1861 376 209 -101 O ATOM 1603 CB THR L 76 62.959 11.010 5.751 1.00 13.81 C ANISOU 1603 CB THR L 76 1659 1787 1801 407 245 -65 C ATOM 1604 OG1 THR L 76 63.440 10.672 7.063 1.00 17.08 O ANISOU 1604 OG1 THR L 76 2023 2187 2281 407 220 -13 O ATOM 1605 CG2 THR L 76 64.157 11.269 4.839 1.00 15.80 C ANISOU 1605 CG2 THR L 76 1890 2084 2030 425 312 -81 C ATOM 0 H THR L 76 60.458 11.230 6.430 1.00 12.75 H new ATOM 0 HA THR L 76 62.569 12.944 6.283 1.00 12.49 H new ATOM 0 HB THR L 76 62.439 10.284 5.372 1.00 13.81 H new ATOM 0 HG1 THR L 76 63.945 11.282 7.342 1.00 17.08 H new ATOM 0 HG21 THR L 76 64.707 10.471 4.793 1.00 15.80 H new ATOM 0 HG22 THR L 76 63.844 11.497 3.950 1.00 15.80 H new ATOM 0 HG23 THR L 76 64.682 12.003 5.195 1.00 15.80 H new ATOM 1606 N ILE L 77 62.236 13.779 4.009 1.00 14.04 N ANISOU 1606 N ILE L 77 1769 1912 1654 356 277 -22 N ATOM 1607 CA ILE L 77 61.999 14.308 2.667 1.00 13.25 C ANISOU 1607 CA ILE L 77 1706 1865 1464 360 300 -13 C ATOM 1608 C ILE L 77 63.295 14.163 1.903 1.00 15.18 C ANISOU 1608 C ILE L 77 1931 2157 1681 377 376 -27 C ATOM 1609 O ILE L 77 64.280 14.827 2.225 1.00 17.02 O ANISOU 1609 O ILE L 77 2121 2393 1951 361 418 18 O ATOM 1610 CB ILE L 77 61.606 15.800 2.717 1.00 14.36 C ANISOU 1610 CB ILE L 77 1856 2003 1597 332 300 68 C ATOM 1611 CG1 ILE L 77 60.442 16.023 3.687 1.00 15.54 C ANISOU 1611 CG1 ILE L 77 2009 2098 1796 320 244 78 C ATOM 1612 CG2 ILE L 77 61.281 16.301 1.297 1.00 17.25 C ANISOU 1612 CG2 ILE L 77 2256 2435 1862 341 314 107 C ATOM 1613 CD1 ILE L 77 60.111 17.507 3.886 1.00 17.43 C ANISOU 1613 CD1 ILE L 77 2251 2308 2064 300 258 147 C ATOM 0 H ILE L 77 62.808 14.232 4.465 1.00 14.04 H new ATOM 0 HA ILE L 77 61.272 13.825 2.244 1.00 13.25 H new ATOM 0 HB ILE L 77 62.355 16.318 3.052 1.00 14.36 H new ATOM 0 HG12 ILE L 77 59.656 15.562 3.354 1.00 15.54 H new ATOM 0 HG13 ILE L 77 60.661 15.627 4.545 1.00 15.54 H new ATOM 0 HG21 ILE L 77 61.035 17.239 1.333 1.00 17.25 H new ATOM 0 HG22 ILE L 77 62.060 16.193 0.729 1.00 17.25 H new ATOM 0 HG23 ILE L 77 60.543 15.787 0.933 1.00 17.25 H new ATOM 0 HD11 ILE L 77 59.370 17.593 4.506 1.00 17.43 H new ATOM 0 HD12 ILE L 77 60.887 17.967 4.244 1.00 17.43 H new ATOM 0 HD13 ILE L 77 59.866 17.901 3.034 1.00 17.43 H new ATOM 1614 N SER L 78 63.320 13.283 0.907 1.00 14.85 N ANISOU 1614 N SER L 78 1913 2153 1578 405 399 -99 N ATOM 1615 CA SER L 78 64.518 13.135 0.096 1.00 16.47 C ANISOU 1615 CA SER L 78 2099 2412 1748 428 491 -120 C ATOM 1616 C SER L 78 64.446 14.065 -1.111 1.00 20.20 C ANISOU 1616 C SER L 78 2608 2977 2089 416 531 -69 C ATOM 1617 O SER L 78 63.352 14.489 -1.503 1.00 17.94 O ANISOU 1617 O SER L 78 2369 2717 1730 401 473 -40 O ATOM 1618 CB SER L 78 64.694 11.693 -0.354 1.00 20.18 C ANISOU 1618 CB SER L 78 2574 2869 2222 469 517 -241 C ATOM 1619 OG SER L 78 63.679 11.308 -1.259 1.00 27.25 O ANISOU 1619 OG SER L 78 3537 3803 3014 464 481 -312 O ATOM 0 H SER L 78 62.665 12.771 0.688 1.00 14.85 H new ATOM 0 HA SER L 78 65.287 13.376 0.635 1.00 16.47 H new ATOM 0 HB2 SER L 78 65.562 11.587 -0.774 1.00 20.18 H new ATOM 0 HB3 SER L 78 64.680 11.107 0.419 1.00 20.18 H new ATOM 0 HG SER L 78 63.315 10.601 -0.988 1.00 27.25 H new ATOM 1620 N GLY L 79 65.603 14.390 -1.683 1.00 17.64 N ANISOU 1620 N GLY L 79 2254 2708 1740 423 629 -43 N ATOM 1621 CA GLY L 79 65.667 15.228 -2.873 1.00 18.47 C ANISOU 1621 CA GLY L 79 2390 2913 1713 413 683 26 C ATOM 1622 C GLY L 79 64.877 16.517 -2.719 1.00 18.24 C ANISOU 1622 C GLY L 79 2380 2868 1681 378 630 150 C ATOM 1623 O GLY L 79 64.088 16.876 -3.599 1.00 20.18 O ANISOU 1623 O GLY L 79 2677 3185 1807 378 604 195 O ATOM 0 H GLY L 79 66.370 14.131 -1.392 1.00 17.64 H new ATOM 0 HA2 GLY L 79 66.594 15.441 -3.066 1.00 18.47 H new ATOM 0 HA3 GLY L 79 65.326 14.732 -3.633 1.00 18.47 H new ATOM 1624 N LEU L 80 65.105 17.204 -1.605 1.00 17.10 N ANISOU 1624 N LEU L 80 2192 2634 1673 350 614 202 N ATOM 1625 CA LEU L 80 64.362 18.408 -1.240 1.00 16.35 C ANISOU 1625 CA LEU L 80 2108 2486 1620 321 572 300 C ATOM 1626 C LEU L 80 64.223 19.379 -2.407 1.00 17.30 C ANISOU 1626 C LEU L 80 2253 2672 1648 317 613 421 C ATOM 1627 O LEU L 80 65.196 19.687 -3.089 1.00 18.66 O ANISOU 1627 O LEU L 80 2406 2902 1784 310 706 471 O ATOM 1628 CB LEU L 80 65.053 19.089 -0.058 1.00 16.55 C ANISOU 1628 CB LEU L 80 2076 2421 1791 280 585 321 C ATOM 1629 CG LEU L 80 64.353 20.281 0.579 1.00 16.74 C ANISOU 1629 CG LEU L 80 2107 2359 1896 248 552 386 C ATOM 1630 CD1 LEU L 80 63.077 19.841 1.276 1.00 16.48 C ANISOU 1630 CD1 LEU L 80 2104 2285 1873 266 464 334 C ATOM 1631 CD2 LEU L 80 65.300 20.946 1.560 1.00 18.48 C ANISOU 1631 CD2 LEU L 80 2269 2512 2242 195 579 384 C ATOM 0 H LEU L 80 65.705 16.981 -1.030 1.00 17.10 H new ATOM 0 HA LEU L 80 63.464 18.141 -0.990 1.00 16.35 H new ATOM 0 HB2 LEU L 80 65.192 18.421 0.632 1.00 16.55 H new ATOM 0 HB3 LEU L 80 65.930 19.380 -0.352 1.00 16.55 H new ATOM 0 HG LEU L 80 64.108 20.918 -0.110 1.00 16.74 H new ATOM 0 HD11 LEU L 80 62.644 20.612 1.676 1.00 16.48 H new ATOM 0 HD12 LEU L 80 62.479 19.434 0.630 1.00 16.48 H new ATOM 0 HD13 LEU L 80 63.292 19.196 1.968 1.00 16.48 H new ATOM 0 HD21 LEU L 80 64.860 21.707 1.970 1.00 18.48 H new ATOM 0 HD22 LEU L 80 65.553 20.310 2.248 1.00 18.48 H new ATOM 0 HD23 LEU L 80 66.094 21.246 1.091 1.00 18.48 H new ATOM 1632 N GLN L 81 62.993 19.834 -2.636 1.00 18.14 N ANISOU 1632 N GLN L 81 2395 2777 1721 324 546 480 N ATOM 1633 CA GLN L 81 62.674 20.738 -3.734 1.00 18.69 C ANISOU 1633 CA GLN L 81 2487 2914 1700 329 565 623 C ATOM 1634 C GLN L 81 62.066 22.007 -3.174 1.00 17.58 C ANISOU 1634 C GLN L 81 2330 2661 1690 316 542 737 C ATOM 1635 O GLN L 81 61.530 22.009 -2.073 1.00 17.71 O ANISOU 1635 O GLN L 81 2334 2573 1821 311 492 681 O ATOM 1636 CB GLN L 81 61.631 20.103 -4.657 1.00 23.21 C ANISOU 1636 CB GLN L 81 3109 3602 2109 357 489 601 C ATOM 1637 CG GLN L 81 62.037 18.811 -5.337 1.00 27.19 C ANISOU 1637 CG GLN L 81 3642 4215 2474 370 509 464 C ATOM 1638 CD GLN L 81 60.941 18.282 -6.252 1.00 36.37 C ANISOU 1638 CD GLN L 81 4852 5496 3471 381 420 432 C ATOM 1639 OE1 GLN L 81 59.898 18.917 -6.422 1.00 36.09 O ANISOU 1639 OE1 GLN L 81 4818 5472 3421 384 340 536 O ATOM 1640 NE2 GLN L 81 61.175 17.118 -6.846 1.00 39.49 N ANISOU 1640 NE2 GLN L 81 5280 5977 3748 387 432 283 N ATOM 0 H GLN L 81 62.314 19.623 -2.152 1.00 18.14 H new ATOM 0 HA GLN L 81 63.490 20.924 -4.225 1.00 18.69 H new ATOM 0 HB2 GLN L 81 60.828 19.936 -4.140 1.00 23.21 H new ATOM 0 HB3 GLN L 81 61.398 20.748 -5.343 1.00 23.21 H new ATOM 0 HG2 GLN L 81 62.845 18.958 -5.853 1.00 27.19 H new ATOM 0 HG3 GLN L 81 62.246 18.144 -4.665 1.00 27.19 H new ATOM 0 HE21 GLN L 81 61.915 16.703 -6.703 1.00 39.49 H new ATOM 0 HE22 GLN L 81 60.587 16.779 -7.374 1.00 39.49 H new ATOM 1641 N ALA L 82 62.091 23.065 -3.976 1.00 19.86 N ANISOU 1641 N ALA L 82 2618 2971 1957 316 585 901 N ATOM 1642 CA ALA L 82 61.542 24.368 -3.603 1.00 20.46 C ANISOU 1642 CA ALA L 82 2675 2924 2176 311 580 1026 C ATOM 1643 C ALA L 82 60.106 24.275 -3.115 1.00 21.30 C ANISOU 1643 C ALA L 82 2788 2982 2322 342 479 1004 C ATOM 1644 O ALA L 82 59.728 24.941 -2.150 1.00 20.29 O ANISOU 1644 O ALA L 82 2638 2712 2360 336 476 1001 O ATOM 1645 CB ALA L 82 61.615 25.318 -4.786 1.00 22.07 C ANISOU 1645 CB ALA L 82 2874 3170 2341 310 606 1184 C ATOM 0 H ALA L 82 62.432 23.048 -4.765 1.00 19.86 H new ATOM 0 HA ALA L 82 62.079 24.705 -2.869 1.00 20.46 H new ATOM 0 HB1 ALA L 82 61.250 26.180 -4.532 1.00 22.07 H new ATOM 0 HB2 ALA L 82 62.540 25.427 -5.057 1.00 22.07 H new ATOM 0 HB3 ALA L 82 61.102 24.955 -5.525 1.00 22.07 H new ATOM 1646 N GLU L 83 59.298 23.458 -3.784 1.00 21.07 N ANISOU 1646 N GLU L 83 2785 3075 2146 373 399 979 N ATOM 1647 CA AGLU L 83 57.875 23.363 -3.469 0.50 24.16 C ANISOU 1647 CA AGLU L 83 3168 3439 2574 402 300 976 C ATOM 1648 CA BGLU L 83 57.880 23.397 -3.448 0.50 22.28 C ANISOU 1648 CA BGLU L 83 2928 3196 2341 402 302 978 C ATOM 1649 C GLU L 83 57.607 22.629 -2.163 1.00 21.44 C ANISOU 1649 C GLU L 83 2813 3007 2325 391 270 814 C ATOM 1650 O GLU L 83 56.468 22.565 -1.708 1.00 23.17 O ANISOU 1650 O GLU L 83 3014 3187 2603 410 205 804 O ATOM 1651 CB AGLU L 83 57.097 22.703 -4.614 0.50 34.05 C ANISOU 1651 CB AGLU L 83 4440 4859 3637 424 212 995 C ATOM 1652 CB BGLU L 83 57.027 22.884 -4.621 0.50 32.77 C ANISOU 1652 CB BGLU L 83 4274 4688 3488 427 212 1019 C ATOM 1653 CG AGLU L 83 57.492 21.263 -4.905 0.50 39.09 C ANISOU 1653 CG AGLU L 83 5115 5603 4135 408 197 823 C ATOM 1654 CG BGLU L 83 57.637 21.765 -5.445 0.50 42.03 C ANISOU 1654 CG BGLU L 83 5490 6015 4464 413 217 914 C ATOM 1655 CD AGLU L 83 56.706 20.665 -6.064 0.50 49.46 C ANISOU 1655 CD AGLU L 83 6451 7086 5254 416 104 821 C ATOM 1656 CD BGLU L 83 57.097 20.403 -5.076 0.50 43.98 C ANISOU 1656 CD BGLU L 83 5747 6279 4683 406 141 731 C ATOM 1657 OE1AGLU L 83 55.497 20.396 -5.891 0.50 49.99 O ANISOU 1657 OE1AGLU L 83 6495 7152 5345 424 -2 805 O ATOM 1658 OE1BGLU L 83 57.786 19.683 -4.325 0.50 31.44 O ANISOU 1658 OE1BGLU L 83 4162 4628 3156 390 183 595 O ATOM 1659 OE2AGLU L 83 57.299 20.467 -7.146 0.50 50.03 O ANISOU 1659 OE2AGLU L 83 6557 7283 5168 402 136 814 O ATOM 1660 OE2BGLU L 83 55.991 20.047 -5.543 0.50 48.85 O ANISOU 1660 OE2BGLU L 83 6361 6973 5226 414 36 730 O ATOM 0 H AGLU L 83 59.555 22.948 -4.427 0.50 21.07 H new ATOM 0 H BGLU L 83 59.545 22.940 -4.424 0.50 21.07 H new ATOM 0 HA AGLU L 83 57.562 24.274 -3.357 0.50 22.28 H new ATOM 0 HA BGLU L 83 57.606 24.312 -3.278 0.50 22.28 H new ATOM 0 HB2AGLU L 83 56.151 22.729 -4.403 0.50 32.77 H new ATOM 0 HB2BGLU L 83 56.177 22.577 -4.270 0.50 32.77 H new ATOM 0 HB3AGLU L 83 57.223 23.229 -5.419 0.50 32.77 H new ATOM 0 HB3BGLU L 83 56.837 23.630 -5.211 0.50 32.77 H new ATOM 0 HG2AGLU L 83 58.440 21.225 -5.108 0.50 42.03 H new ATOM 0 HG2BGLU L 83 57.467 21.932 -6.385 0.50 42.03 H new ATOM 0 HG3AGLU L 83 57.350 20.725 -4.110 0.50 42.03 H new ATOM 0 HG3BGLU L 83 58.600 21.769 -5.326 0.50 42.03 H new ATOM 1661 N ASP L 84 58.657 22.063 -1.567 1.00 17.56 N ANISOU 1661 N ASP L 84 2326 2495 1850 361 319 700 N ATOM 1662 CA ASP L 84 58.528 21.428 -0.263 1.00 16.99 C ANISOU 1662 CA ASP L 84 2243 2348 1866 348 297 572 C ATOM 1663 C ASP L 84 58.521 22.453 0.873 1.00 15.38 C ANISOU 1663 C ASP L 84 2015 2005 1824 330 332 586 C ATOM 1664 O ASP L 84 58.276 22.105 2.025 1.00 16.00 O ANISOU 1664 O ASP L 84 2084 2027 1967 320 316 496 O ATOM 1665 CB ASP L 84 59.667 20.432 -0.020 1.00 16.55 C ANISOU 1665 CB ASP L 84 2190 2324 1776 329 328 460 C ATOM 1666 CG ASP L 84 59.686 19.292 -1.019 1.00 19.50 C ANISOU 1666 CG ASP L 84 2591 2814 2005 347 306 403 C ATOM 1667 OD1 ASP L 84 58.626 18.956 -1.593 1.00 21.37 O ANISOU 1667 OD1 ASP L 84 2844 3105 2171 364 235 405 O ATOM 1668 OD2 ASP L 84 60.784 18.722 -1.221 1.00 18.19 O ANISOU 1668 OD2 ASP L 84 2423 2685 1804 343 360 346 O ATOM 0 H ASP L 84 59.449 22.038 -1.902 1.00 17.56 H new ATOM 0 HA ASP L 84 57.679 20.960 -0.269 1.00 16.99 H new ATOM 0 HB2 ASP L 84 60.514 20.903 -0.059 1.00 16.55 H new ATOM 0 HB3 ASP L 84 59.585 20.068 0.876 1.00 16.55 H new ATOM 1669 N GLU L 85 58.809 23.713 0.553 1.00 15.56 N ANISOU 1669 N GLU L 85 2028 1973 1912 323 387 698 N ATOM 1670 CA GLU L 85 58.759 24.776 1.555 1.00 16.44 C ANISOU 1670 CA GLU L 85 2119 1938 2189 302 428 698 C ATOM 1671 C GLU L 85 57.312 24.939 2.013 1.00 17.20 C ANISOU 1671 C GLU L 85 2205 1979 2350 342 383 700 C ATOM 1672 O GLU L 85 56.444 25.333 1.231 1.00 20.21 O ANISOU 1672 O GLU L 85 2576 2375 2727 387 355 817 O ATOM 1673 CB GLU L 85 59.306 26.093 0.985 1.00 18.72 C ANISOU 1673 CB GLU L 85 2395 2161 2557 287 501 830 C ATOM 1674 CG GLU L 85 59.163 27.290 1.931 1.00 19.22 C ANISOU 1674 CG GLU L 85 2439 2049 2815 264 549 820 C ATOM 1675 CD GLU L 85 60.094 28.444 1.591 1.00 23.61 C ANISOU 1675 CD GLU L 85 2976 2519 3475 220 634 912 C ATOM 1676 OE1 GLU L 85 61.225 28.203 1.116 1.00 21.97 O ANISOU 1676 OE1 GLU L 85 2762 2383 3204 183 666 927 O ATOM 1677 OE2 GLU L 85 59.687 29.612 1.793 1.00 29.11 O ANISOU 1677 OE2 GLU L 85 3658 3066 4336 224 677 974 O ATOM 0 H GLU L 85 59.035 23.973 -0.235 1.00 15.56 H new ATOM 0 HA GLU L 85 59.317 24.539 2.312 1.00 16.44 H new ATOM 0 HB2 GLU L 85 60.244 25.975 0.767 1.00 18.72 H new ATOM 0 HB3 GLU L 85 58.845 26.292 0.155 1.00 18.72 H new ATOM 0 HG2 GLU L 85 58.246 27.605 1.906 1.00 19.22 H new ATOM 0 HG3 GLU L 85 59.339 26.999 2.839 1.00 19.22 H new ATOM 1678 N ALA L 86 57.069 24.634 3.285 1.00 15.89 N ANISOU 1678 N ALA L 86 2036 1761 2241 327 379 581 N ATOM 1679 CA ALA L 86 55.717 24.523 3.843 1.00 15.41 C ANISOU 1679 CA ALA L 86 1960 1667 2230 363 345 560 C ATOM 1680 C ALA L 86 55.813 24.250 5.327 1.00 15.79 C ANISOU 1680 C ALA L 86 2010 1670 2319 331 365 424 C ATOM 1681 O ALA L 86 56.907 24.054 5.861 1.00 16.45 O ANISOU 1681 O ALA L 86 2106 1763 2381 282 385 351 O ATOM 1682 CB ALA L 86 54.957 23.380 3.167 1.00 15.81 C ANISOU 1682 CB ALA L 86 2008 1832 2168 393 261 568 C ATOM 0 H ALA L 86 57.692 24.483 3.859 1.00 15.89 H new ATOM 0 HA ALA L 86 55.241 25.354 3.688 1.00 15.41 H new ATOM 0 HB1 ALA L 86 54.065 23.316 3.544 1.00 15.81 H new ATOM 0 HB2 ALA L 86 54.893 23.552 2.215 1.00 15.81 H new ATOM 0 HB3 ALA L 86 55.430 22.546 3.313 1.00 15.81 H new ATOM 1683 N ASP L 87 54.661 24.210 5.988 1.00 14.55 N ANISOU 1683 N ASP L 87 1835 1479 2216 359 359 397 N ATOM 1684 CA ASP L 87 54.586 23.734 7.363 1.00 14.00 C ANISOU 1684 CA ASP L 87 1770 1403 2148 333 372 278 C ATOM 1685 C ASP L 87 54.257 22.238 7.377 1.00 15.47 C ANISOU 1685 C ASP L 87 1954 1687 2238 338 307 250 C ATOM 1686 O ASP L 87 53.489 21.763 6.540 1.00 16.46 O ANISOU 1686 O ASP L 87 2061 1855 2337 371 254 307 O ATOM 1687 CB ASP L 87 53.494 24.500 8.112 1.00 16.26 C ANISOU 1687 CB ASP L 87 2033 1597 2549 362 422 260 C ATOM 1688 CG ASP L 87 53.867 25.939 8.385 1.00 23.56 C ANISOU 1688 CG ASP L 87 2963 2396 3595 348 502 249 C ATOM 1689 OD1 ASP L 87 54.992 26.172 8.861 1.00 23.49 O ANISOU 1689 OD1 ASP L 87 2979 2375 3571 285 527 176 O ATOM 1690 OD2 ASP L 87 53.033 26.832 8.121 1.00 29.63 O ANISOU 1690 OD2 ASP L 87 3703 3071 4486 398 539 314 O ATOM 0 H ASP L 87 53.907 24.456 5.655 1.00 14.55 H new ATOM 0 HA ASP L 87 55.441 23.879 7.797 1.00 14.00 H new ATOM 0 HB2 ASP L 87 52.675 24.476 7.593 1.00 16.26 H new ATOM 0 HB3 ASP L 87 53.311 24.053 8.953 1.00 16.26 H new ATOM 1691 N TYR L 88 54.843 21.497 8.314 1.00 12.41 N ANISOU 1691 N TYR L 88 1579 1333 1803 302 306 168 N ATOM 1692 CA TYR L 88 54.599 20.059 8.437 1.00 12.16 C ANISOU 1692 CA TYR L 88 1542 1369 1708 304 254 147 C ATOM 1693 C TYR L 88 54.141 19.757 9.850 1.00 12.40 C ANISOU 1693 C TYR L 88 1566 1395 1750 290 277 92 C ATOM 1694 O TYR L 88 54.747 20.235 10.821 1.00 13.53 O ANISOU 1694 O TYR L 88 1723 1528 1889 257 316 37 O ATOM 1695 CB TYR L 88 55.868 19.266 8.114 1.00 12.73 C ANISOU 1695 CB TYR L 88 1631 1496 1710 283 231 128 C ATOM 1696 CG TYR L 88 56.245 19.392 6.662 1.00 11.50 C ANISOU 1696 CG TYR L 88 1484 1369 1518 299 218 178 C ATOM 1697 CD1 TYR L 88 55.865 18.423 5.740 1.00 12.58 C ANISOU 1697 CD1 TYR L 88 1622 1558 1598 319 167 185 C ATOM 1698 CD2 TYR L 88 56.942 20.506 6.205 1.00 13.44 C ANISOU 1698 CD2 TYR L 88 1735 1588 1783 288 259 218 C ATOM 1699 CE1 TYR L 88 56.178 18.560 4.406 1.00 13.52 C ANISOU 1699 CE1 TYR L 88 1755 1725 1656 331 159 226 C ATOM 1700 CE2 TYR L 88 57.268 20.643 4.869 1.00 13.59 C ANISOU 1700 CE2 TYR L 88 1763 1648 1753 303 257 282 C ATOM 1701 CZ TYR L 88 56.885 19.660 3.983 1.00 12.99 C ANISOU 1701 CZ TYR L 88 1694 1646 1595 326 207 282 C ATOM 1702 OH TYR L 88 57.191 19.789 2.649 1.00 15.17 O ANISOU 1702 OH TYR L 88 1985 1987 1792 338 207 337 O ATOM 0 H TYR L 88 55.392 21.812 8.896 1.00 12.41 H new ATOM 0 HA TYR L 88 53.911 19.796 7.805 1.00 12.16 H new ATOM 0 HB2 TYR L 88 56.599 19.583 8.668 1.00 12.73 H new ATOM 0 HB3 TYR L 88 55.731 18.331 8.334 1.00 12.73 H new ATOM 0 HD1 TYR L 88 55.394 17.674 6.027 1.00 12.58 H new ATOM 0 HD2 TYR L 88 57.192 21.169 6.808 1.00 13.44 H new ATOM 0 HE1 TYR L 88 55.912 17.912 3.795 1.00 13.52 H new ATOM 0 HE2 TYR L 88 57.739 21.388 4.572 1.00 13.59 H new ATOM 0 HH TYR L 88 57.493 20.559 2.504 1.00 15.17 H new ATOM 1703 N TYR L 89 53.073 18.971 9.969 1.00 12.70 N ANISOU 1703 N TYR L 89 1578 1449 1798 309 254 106 N ATOM 1704 CA TYR L 89 52.504 18.613 11.265 1.00 12.34 C ANISOU 1704 CA TYR L 89 1520 1412 1758 299 286 74 C ATOM 1705 C TYR L 89 52.418 17.119 11.395 1.00 13.48 C ANISOU 1705 C TYR L 89 1652 1599 1869 289 241 86 C ATOM 1706 O TYR L 89 51.902 16.436 10.510 1.00 13.30 O ANISOU 1706 O TYR L 89 1609 1579 1864 303 190 114 O ATOM 1707 CB TYR L 89 51.085 19.154 11.390 1.00 13.95 C ANISOU 1707 CB TYR L 89 1683 1574 2042 332 322 94 C ATOM 1708 CG TYR L 89 51.018 20.645 11.422 1.00 14.30 C ANISOU 1708 CG TYR L 89 1732 1548 2153 350 383 82 C ATOM 1709 CD1 TYR L 89 50.820 21.372 10.260 1.00 15.19 C ANISOU 1709 CD1 TYR L 89 1830 1618 2323 384 365 149 C ATOM 1710 CD2 TYR L 89 51.165 21.333 12.613 1.00 15.67 C ANISOU 1710 CD2 TYR L 89 1925 1696 2335 330 463 4 C ATOM 1711 CE1 TYR L 89 50.774 22.751 10.286 1.00 16.72 C ANISOU 1711 CE1 TYR L 89 2023 1723 2608 403 428 151 C ATOM 1712 CE2 TYR L 89 51.118 22.697 12.654 1.00 17.58 C ANISOU 1712 CE2 TYR L 89 2170 1847 2660 343 528 -23 C ATOM 1713 CZ TYR L 89 50.924 23.401 11.491 1.00 15.72 C ANISOU 1713 CZ TYR L 89 1916 1549 2510 382 513 57 C ATOM 1714 OH TYR L 89 50.871 24.774 11.538 1.00 21.01 O ANISOU 1714 OH TYR L 89 2585 2105 3293 399 586 42 O ATOM 0 H TYR L 89 52.657 18.630 9.298 1.00 12.70 H new ATOM 0 HA TYR L 89 53.076 18.990 11.952 1.00 12.34 H new ATOM 0 HB2 TYR L 89 50.556 18.829 10.645 1.00 13.95 H new ATOM 0 HB3 TYR L 89 50.682 18.802 12.199 1.00 13.95 H new ATOM 0 HD1 TYR L 89 50.717 20.925 9.451 1.00 15.19 H new ATOM 0 HD2 TYR L 89 51.298 20.857 13.401 1.00 15.67 H new ATOM 0 HE1 TYR L 89 50.644 23.234 9.502 1.00 16.72 H new ATOM 0 HE2 TYR L 89 51.217 23.145 13.463 1.00 17.58 H new ATOM 0 HH TYR L 89 51.491 25.062 12.027 1.00 21.01 H new ATOM 1715 N CYS L 90 52.916 16.597 12.507 1.00 11.81 N ANISOU 1715 N CYS L 90 1451 1423 1613 263 256 66 N ATOM 1716 CA ACYS L 90 52.656 15.201 12.828 0.70 11.43 C ANISOU 1716 CA ACYS L 90 1383 1397 1563 258 229 97 C ATOM 1717 CA BCYS L 90 52.712 15.214 12.892 0.30 13.09 C ANISOU 1717 CA BCYS L 90 1594 1609 1769 256 230 95 C ATOM 1718 C CYS L 90 51.358 15.107 13.619 1.00 11.71 C ANISOU 1718 C CYS L 90 1384 1431 1633 260 272 116 C ATOM 1719 O CYS L 90 50.860 16.090 14.161 1.00 12.70 O ANISOU 1719 O CYS L 90 1508 1551 1768 266 333 91 O ATOM 1720 CB ACYS L 90 53.799 14.581 13.625 0.70 9.37 C ANISOU 1720 CB ACYS L 90 1137 1182 1242 235 219 100 C ATOM 1721 CB BCYS L 90 53.890 14.798 13.786 0.30 21.55 C ANISOU 1721 CB BCYS L 90 2684 2731 2774 232 227 92 C ATOM 1722 SG ACYS L 90 54.084 15.382 15.227 0.70 13.04 S ANISOU 1722 SG ACYS L 90 1620 1706 1628 203 273 66 S ATOM 1723 SG BCYS L 90 53.745 13.314 14.797 0.30 26.57 S ANISOU 1723 SG BCYS L 90 3296 3399 3399 221 218 156 S ATOM 0 H ACYS L 90 53.397 17.023 13.079 0.70 11.81 H new ATOM 0 H BCYS L 90 53.390 17.046 13.067 0.30 11.81 H new ATOM 0 HA ACYS L 90 52.579 14.705 11.998 0.70 13.09 H new ATOM 0 HA BCYS L 90 52.684 14.618 12.127 0.30 13.09 H new ATOM 0 HB2ACYS L 90 53.609 13.641 13.771 0.70 21.55 H new ATOM 0 HB2BCYS L 90 54.666 14.687 13.214 0.30 21.55 H new ATOM 0 HB3ACYS L 90 54.613 14.628 13.099 0.70 21.55 H new ATOM 0 HB3BCYS L 90 54.081 15.540 14.382 0.30 21.55 H new ATOM 1724 N SER L 91 50.782 13.912 13.649 1.00 12.81 N ANISOU 1724 N SER L 91 1490 1567 1809 255 249 158 N ATOM 1725 CA SER L 91 49.531 13.678 14.358 1.00 11.50 C ANISOU 1725 CA SER L 91 1278 1402 1689 252 295 191 C ATOM 1726 C SER L 91 49.518 12.232 14.836 1.00 11.50 C ANISOU 1726 C SER L 91 1258 1407 1705 229 280 248 C ATOM 1727 O SER L 91 50.153 11.362 14.237 1.00 12.99 O ANISOU 1727 O SER L 91 1456 1570 1910 225 222 253 O ATOM 1728 CB SER L 91 48.338 13.936 13.432 1.00 13.11 C ANISOU 1728 CB SER L 91 1429 1567 1985 272 275 200 C ATOM 1729 OG SER L 91 47.100 13.720 14.089 1.00 15.93 O ANISOU 1729 OG SER L 91 1723 1925 2406 269 326 236 O ATOM 0 H SER L 91 51.104 13.216 13.260 1.00 12.81 H new ATOM 0 HA SER L 91 49.461 14.282 15.114 1.00 11.50 H new ATOM 0 HB2 SER L 91 48.375 14.848 13.105 1.00 13.11 H new ATOM 0 HB3 SER L 91 48.398 13.354 12.658 1.00 13.11 H new ATOM 0 HG SER L 91 47.167 13.947 14.895 1.00 15.93 H new ATOM 1730 N SER L 92 48.805 11.974 15.922 1.00 11.24 N ANISOU 1730 N SER L 92 1195 1402 1674 217 343 293 N ATOM 1731 CA SER L 92 48.642 10.609 16.408 1.00 12.26 C ANISOU 1731 CA SER L 92 1294 1523 1840 194 339 373 C ATOM 1732 C SER L 92 47.255 10.440 16.990 1.00 12.99 C ANISOU 1732 C SER L 92 1321 1618 1996 183 406 424 C ATOM 1733 O SER L 92 46.693 11.374 17.558 1.00 13.20 O ANISOU 1733 O SER L 92 1340 1685 1989 195 481 400 O ATOM 1734 CB SER L 92 49.691 10.298 17.486 1.00 13.37 C ANISOU 1734 CB SER L 92 1474 1731 1877 185 353 416 C ATOM 1735 OG SER L 92 49.613 8.937 17.905 1.00 13.53 O ANISOU 1735 OG SER L 92 1462 1730 1949 169 348 519 O ATOM 0 H SER L 92 48.407 12.573 16.393 1.00 11.24 H new ATOM 0 HA SER L 92 48.762 9.996 15.666 1.00 12.26 H new ATOM 0 HB2 SER L 92 50.578 10.482 17.140 1.00 13.37 H new ATOM 0 HB3 SER L 92 49.557 10.882 18.249 1.00 13.37 H new ATOM 0 HG SER L 92 48.923 8.826 18.370 1.00 13.53 H new ATOM 1736 N TYR L 93 46.691 9.245 16.866 1.00 12.94 N ANISOU 1736 N TYR L 93 1262 1561 2094 158 388 489 N ATOM 1737 CA TYR L 93 45.553 8.887 17.702 1.00 14.23 C ANISOU 1737 CA TYR L 93 1357 1739 2310 138 468 566 C ATOM 1738 C TYR L 93 46.088 8.574 19.104 1.00 14.19 C ANISOU 1738 C TYR L 93 1384 1814 2194 128 533 647 C ATOM 1739 O TYR L 93 47.301 8.509 19.312 1.00 14.41 O ANISOU 1739 O TYR L 93 1474 1874 2128 135 496 645 O ATOM 1740 CB TYR L 93 44.790 7.696 17.118 1.00 15.27 C ANISOU 1740 CB TYR L 93 1414 1781 2607 101 426 613 C ATOM 1741 CG TYR L 93 43.354 7.607 17.588 1.00 15.83 C ANISOU 1741 CG TYR L 93 1387 1856 2772 80 500 672 C ATOM 1742 CD1 TYR L 93 42.423 8.573 17.219 1.00 19.36 C ANISOU 1742 CD1 TYR L 93 1781 2319 3256 101 520 625 C ATOM 1743 CD2 TYR L 93 42.926 6.561 18.400 1.00 21.15 C ANISOU 1743 CD2 TYR L 93 2011 2516 3511 41 557 790 C ATOM 1744 CE1 TYR L 93 41.104 8.495 17.639 1.00 23.90 C ANISOU 1744 CE1 TYR L 93 2249 2899 3933 86 594 683 C ATOM 1745 CE2 TYR L 93 41.606 6.476 18.824 1.00 25.06 C ANISOU 1745 CE2 TYR L 93 2403 3017 4101 18 636 851 C ATOM 1746 CZ TYR L 93 40.704 7.449 18.442 1.00 26.42 C ANISOU 1746 CZ TYR L 93 2517 3209 4310 41 655 791 C ATOM 1747 OH TYR L 93 39.394 7.366 18.865 1.00 28.41 O ANISOU 1747 OH TYR L 93 2666 3470 4660 25 729 847 O ATOM 0 H TYR L 93 46.946 8.637 16.314 1.00 12.94 H new ATOM 0 HA TYR L 93 44.922 9.623 17.743 1.00 14.23 H new ATOM 0 HB2 TYR L 93 44.802 7.757 16.150 1.00 15.27 H new ATOM 0 HB3 TYR L 93 45.252 6.877 17.357 1.00 15.27 H new ATOM 0 HD1 TYR L 93 42.690 9.283 16.681 1.00 19.36 H new ATOM 0 HD2 TYR L 93 43.534 5.908 18.663 1.00 21.15 H new ATOM 0 HE1 TYR L 93 40.492 9.146 17.380 1.00 23.90 H new ATOM 0 HE2 TYR L 93 41.332 5.768 19.362 1.00 25.06 H new ATOM 0 HH TYR L 93 39.296 6.682 19.343 1.00 28.41 H new ATOM 1748 N THR L 94 45.200 8.414 20.075 1.00 16.99 N ANISOU 1748 N THR L 94 1690 2214 2550 113 630 722 N ATOM 1749 CA THR L 94 45.643 8.241 21.459 1.00 17.18 C ANISOU 1749 CA THR L 94 1748 2349 2432 103 697 803 C ATOM 1750 C THR L 94 44.851 7.165 22.168 1.00 19.87 C ANISOU 1750 C THR L 94 2019 2687 2842 71 764 954 C ATOM 1751 O THR L 94 43.762 6.772 21.733 1.00 21.33 O ANISOU 1751 O THR L 94 2122 2796 3188 53 782 979 O ATOM 1752 CB THR L 94 45.485 9.540 22.294 1.00 17.25 C ANISOU 1752 CB THR L 94 1792 2472 2291 118 792 725 C ATOM 1753 OG1 THR L 94 44.104 9.725 22.626 1.00 20.06 O ANISOU 1753 OG1 THR L 94 2074 2834 2714 118 902 744 O ATOM 1754 CG2 THR L 94 46.005 10.756 21.540 1.00 19.52 C ANISOU 1754 CG2 THR L 94 2130 2734 2553 146 747 575 C ATOM 0 H THR L 94 44.348 8.402 19.961 1.00 16.99 H new ATOM 0 HA THR L 94 46.579 7.995 21.398 1.00 17.18 H new ATOM 0 HB THR L 94 46.011 9.448 23.104 1.00 17.25 H new ATOM 0 HG1 THR L 94 43.887 10.525 22.488 1.00 20.06 H new ATOM 0 HG21 THR L 94 45.892 11.549 22.087 1.00 19.52 H new ATOM 0 HG22 THR L 94 46.946 10.634 21.338 1.00 19.52 H new ATOM 0 HG23 THR L 94 45.509 10.861 20.713 1.00 19.52 H new ATOM 1755 N ARG L 95 45.380 6.712 23.298 1.00 19.30 N ANISOU 1755 N ARG L 95 1978 2710 2646 60 796 1060 N ATOM 1756 CA AARG L 95 44.687 5.719 24.108 0.50 20.97 C ANISOU 1756 CA AARG L 95 2147 2920 2899 36 831 1178 C ATOM 1757 CA BARG L 95 44.691 5.726 24.119 0.50 21.00 C ANISOU 1757 CA BARG L 95 2152 2925 2901 36 831 1178 C ATOM 1758 C ARG L 95 43.428 6.291 24.769 1.00 22.87 C ANISOU 1758 C ARG L 95 2355 3222 3111 29 938 1147 C ATOM 1759 O ARG L 95 42.619 5.548 25.329 1.00 26.10 O ANISOU 1759 O ARG L 95 2715 3623 3578 7 982 1239 O ATOM 1760 CB AARG L 95 45.625 5.142 25.168 0.50 21.40 C ANISOU 1760 CB AARG L 95 2250 3065 2813 35 806 1278 C ATOM 1761 CB BARG L 95 45.626 5.191 25.199 0.50 21.62 C ANISOU 1761 CB BARG L 95 2281 3100 2833 35 809 1275 C ATOM 1762 CG AARG L 95 46.827 4.400 24.605 0.50 20.13 C ANISOU 1762 CG AARG L 95 2105 2832 2710 49 702 1327 C ATOM 1763 CG BARG L 95 46.825 4.446 24.661 0.50 20.64 C ANISOU 1763 CG BARG L 95 2173 2906 2764 49 705 1326 C ATOM 1764 CD AARG L 95 47.531 3.630 25.707 0.50 21.45 C ANISOU 1764 CD AARG L 95 2288 3078 2784 52 677 1454 C ATOM 1765 CD BARG L 95 47.564 3.771 25.794 0.50 20.36 C ANISOU 1765 CD BARG L 95 2158 2960 2618 51 680 1445 C ATOM 1766 NE AARG L 95 48.805 3.071 25.268 0.50 19.76 N ANISOU 1766 NE AARG L 95 2085 2812 2610 77 579 1488 N ATOM 1767 NE BARG L 95 46.829 2.621 26.311 0.50 21.72 N ANISOU 1767 NE BARG L 95 2271 3083 2897 36 714 1577 N ATOM 1768 CZ AARG L 95 48.947 1.881 24.691 0.50 23.26 C ANISOU 1768 CZ AARG L 95 2482 3103 3250 86 536 1553 C ATOM 1769 CZ BARG L 95 47.249 1.870 27.325 0.50 23.23 C ANISOU 1769 CZ BARG L 95 2461 3340 3025 38 705 1710 C ATOM 1770 NH1AARG L 95 47.891 1.109 24.464 0.50 23.99 N ANISOU 1770 NH1AARG L 95 2515 3082 3516 64 573 1591 N ATOM 1771 NH1BARG L 95 48.400 2.152 27.920 0.50 31.81 N ANISOU 1771 NH1BARG L 95 3596 4549 3942 52 653 1723 N ATOM 1772 NH2AARG L 95 50.155 1.464 24.335 0.50 23.48 N ANISOU 1772 NH2AARG L 95 2519 3091 3310 116 458 1566 N ATOM 1773 NH2BARG L 95 46.527 0.839 27.737 0.50 27.03 N ANISOU 1773 NH2BARG L 95 2883 3766 3619 24 744 1833 N ATOM 0 H AARG L 95 46.139 6.966 23.613 0.50 19.30 H new ATOM 0 H BARG L 95 46.141 6.965 23.608 0.50 19.30 H new ATOM 0 HA AARG L 95 44.406 5.008 23.511 0.50 21.00 H new ATOM 0 HA BARG L 95 44.422 5.005 23.529 0.50 21.00 H new ATOM 0 HB2AARG L 95 45.940 5.865 25.733 0.50 21.62 H new ATOM 0 HB2BARG L 95 45.935 5.933 25.742 0.50 21.62 H new ATOM 0 HB3AARG L 95 45.122 4.537 25.735 0.50 21.62 H new ATOM 0 HB3BARG L 95 45.125 4.600 25.783 0.50 21.62 H new ATOM 0 HG2AARG L 95 46.541 3.790 23.907 0.50 20.64 H new ATOM 0 HG2BARG L 95 46.540 3.785 24.011 0.50 20.64 H new ATOM 0 HG3AARG L 95 47.442 5.029 24.197 0.50 20.64 H new ATOM 0 HG3BARG L 95 47.417 5.060 24.199 0.50 20.64 H new ATOM 0 HD2AARG L 95 47.682 4.218 26.463 0.50 20.36 H new ATOM 0 HD2BARG L 95 48.438 3.484 25.485 0.50 20.36 H new ATOM 0 HD3AARG L 95 46.955 2.913 26.016 0.50 20.36 H new ATOM 0 HD3BARG L 95 47.712 4.409 26.510 0.50 20.36 H new ATOM 0 HE AARG L 95 49.513 3.543 25.391 0.50 21.72 H new ATOM 0 HE BARG L 95 46.081 2.417 25.938 0.50 21.72 H new ATOM 0 HH11AARG L 95 47.106 1.377 24.691 0.50 31.81 H new ATOM 0 HH11BARG L 95 48.872 2.818 27.650 0.50 31.81 H new ATOM 0 HH12AARG L 95 47.992 0.341 24.090 0.50 31.81 H new ATOM 0 HH12BARG L 95 48.675 1.669 28.576 0.50 31.81 H new ATOM 0 HH21AARG L 95 50.841 1.962 24.478 0.50 27.03 H new ATOM 0 HH21BARG L 95 45.783 0.653 27.348 0.50 27.03 H new ATOM 0 HH22AARG L 95 50.252 0.695 23.962 0.50 27.03 H new ATOM 0 HH22BARG L 95 46.802 0.356 28.393 0.50 27.03 H new ATOM 1774 N ARG L 96 43.264 7.610 24.700 1.00 23.27 N ANISOU 1774 N ARG L 96 2430 3326 3085 51 985 1015 N ATOM 1775 CA ARG L 96 42.083 8.275 25.253 1.00 24.88 C ANISOU 1775 CA ARG L 96 2600 3575 3279 54 1093 964 C ATOM 1776 C ARG L 96 41.024 8.510 24.176 1.00 27.06 C ANISOU 1776 C ARG L 96 2786 3738 3758 68 1087 920 C ATOM 1777 O ARG L 96 40.055 9.238 24.409 1.00 28.60 O ANISOU 1777 O ARG L 96 2943 3952 3971 84 1165 862 O ATOM 1778 CB ARG L 96 42.472 9.616 25.880 1.00 36.86 C ANISOU 1778 CB ARG L 96 4192 5203 4609 70 1152 829 C ATOM 1779 CG ARG L 96 43.165 9.515 27.233 1.00 42.68 C ANISOU 1779 CG ARG L 96 5007 6088 5122 41 1178 855 C ATOM 1780 CD ARG L 96 43.631 10.887 27.723 1.00 53.51 C ANISOU 1780 CD ARG L 96 6455 7552 6323 44 1224 687 C ATOM 1781 NE ARG L 96 44.715 11.424 26.904 1.00 60.72 N ANISOU 1781 NE ARG L 96 7414 8430 7226 65 1138 611 N ATOM 1782 CZ ARG L 96 44.550 12.321 25.935 1.00 62.41 C ANISOU 1782 CZ ARG L 96 7614 8554 7544 103 1137 501 C ATOM 1783 NH1 ARG L 96 43.338 12.789 25.663 1.00 67.78 N ANISOU 1783 NH1 ARG L 96 8230 9171 8351 128 1206 457 N ATOM 1784 NH2 ARG L 96 45.594 12.752 25.238 1.00 58.03 N ANISOU 1784 NH2 ARG L 96 7104 7971 6972 120 1064 444 N ATOM 0 H ARG L 96 43.830 8.143 24.334 1.00 23.27 H new ATOM 0 HA ARG L 96 41.711 7.693 25.934 1.00 24.88 H new ATOM 0 HB2 ARG L 96 43.057 10.088 25.266 1.00 36.86 H new ATOM 0 HB3 ARG L 96 41.672 10.155 25.981 1.00 36.86 H new ATOM 0 HG2 ARG L 96 42.557 9.127 27.882 1.00 42.68 H new ATOM 0 HG3 ARG L 96 43.926 8.918 27.165 1.00 42.68 H new ATOM 0 HD2 ARG L 96 42.883 11.504 27.712 1.00 53.51 H new ATOM 0 HD3 ARG L 96 43.927 10.817 28.644 1.00 53.51 H new ATOM 0 HE ARG L 96 45.513 11.142 27.058 1.00 60.72 H new ATOM 0 HH11 ARG L 96 42.659 12.513 26.113 1.00 67.78 H new ATOM 0 HH12 ARG L 96 43.231 13.369 25.037 1.00 67.78 H new ATOM 0 HH21 ARG L 96 46.381 12.451 25.412 1.00 58.03 H new ATOM 0 HH22 ARG L 96 45.484 13.332 24.612 1.00 58.03 H new ATOM 1785 N ASP L 97 41.224 7.904 23.005 1.00 23.71 N ANISOU 1785 N ASP L 97 2326 3200 3484 61 989 944 N ATOM 1786 CA ASP L 97 40.278 7.983 21.883 1.00 23.13 C ANISOU 1786 CA ASP L 97 2160 3025 3603 62 951 909 C ATOM 1787 C ASP L 97 40.149 9.393 21.325 1.00 24.18 C ANISOU 1787 C ASP L 97 2299 3165 3725 112 959 785 C ATOM 1788 O ASP L 97 39.047 9.883 21.059 1.00 26.55 O ANISOU 1788 O ASP L 97 2527 3440 4120 129 981 755 O ATOM 1789 CB ASP L 97 38.910 7.428 22.282 1.00 23.67 C ANISOU 1789 CB ASP L 97 2138 3076 3781 37 1002 976 C ATOM 1790 CG ASP L 97 38.999 6.018 22.810 1.00 34.98 C ANISOU 1790 CG ASP L 97 3562 4483 5247 -8 994 1104 C ATOM 1791 OD1 ASP L 97 38.472 5.763 23.913 1.00 40.61 O ANISOU 1791 OD1 ASP L 97 4264 5261 5905 -19 1082 1173 O ATOM 1792 OD2 ASP L 97 39.603 5.171 22.118 1.00 37.45 O ANISOU 1792 OD2 ASP L 97 3878 4707 5645 -30 902 1133 O ATOM 0 H ASP L 97 41.921 7.429 22.835 1.00 23.71 H new ATOM 0 HA ASP L 97 40.641 7.432 21.172 1.00 23.13 H new ATOM 0 HB2 ASP L 97 38.515 8.001 22.958 1.00 23.67 H new ATOM 0 HB3 ASP L 97 38.318 7.447 21.514 1.00 23.67 H new ATOM 1793 N THR L 98 41.291 10.042 21.166 1.00 18.66 N ANISOU 1793 N THR L 98 1683 2495 2914 137 938 718 N ATOM 1794 CA THR L 98 41.340 11.396 20.633 1.00 17.98 C ANISOU 1794 CA THR L 98 1614 2398 2818 187 941 601 C ATOM 1795 C THR L 98 42.465 11.473 19.614 1.00 16.76 C ANISOU 1795 C THR L 98 1537 2193 2636 191 801 541 C ATOM 1796 O THR L 98 43.289 10.562 19.515 1.00 18.65 O ANISOU 1796 O THR L 98 1818 2423 2845 163 728 580 O ATOM 1797 CB THR L 98 41.631 12.442 21.741 1.00 20.36 C ANISOU 1797 CB THR L 98 1996 2787 2951 207 1038 517 C ATOM 1798 OG1 THR L 98 42.941 12.209 22.284 1.00 22.44 O ANISOU 1798 OG1 THR L 98 2352 3123 3052 187 1023 523 O ATOM 1799 CG2 THR L 98 40.594 12.386 22.852 1.00 23.45 C ANISOU 1799 CG2 THR L 98 2352 3237 3319 195 1142 540 C ATOM 0 H THR L 98 42.060 9.712 21.363 1.00 18.66 H new ATOM 0 HA THR L 98 40.477 11.594 20.237 1.00 17.98 H new ATOM 0 HB THR L 98 41.588 13.325 21.342 1.00 20.36 H new ATOM 0 HG1 THR L 98 43.186 12.881 22.725 1.00 22.44 H new ATOM 0 HG21 THR L 98 40.805 13.051 23.526 1.00 23.45 H new ATOM 0 HG22 THR L 98 39.715 12.567 22.484 1.00 23.45 H new ATOM 0 HG23 THR L 98 40.599 11.504 23.256 1.00 23.45 H new ATOM 1800 N TYR L 99 42.490 12.556 18.843 1.00 14.40 N ANISOU 1800 N TYR L 99 1250 1861 2361 232 771 454 N ATOM 1801 CA TYR L 99 43.641 12.884 18.026 1.00 13.95 C ANISOU 1801 CA TYR L 99 1274 1776 2249 240 669 393 C ATOM 1802 C TYR L 99 44.414 14.035 18.642 1.00 14.87 C ANISOU 1802 C TYR L 99 1473 1935 2241 259 727 308 C ATOM 1803 O TYR L 99 43.819 14.965 19.220 1.00 17.49 O ANISOU 1803 O TYR L 99 1789 2281 2576 286 833 263 O ATOM 1804 CB TYR L 99 43.216 13.298 16.604 1.00 16.19 C ANISOU 1804 CB TYR L 99 1516 1994 2642 266 584 370 C ATOM 1805 CG TYR L 99 42.795 12.139 15.734 1.00 14.42 C ANISOU 1805 CG TYR L 99 1233 1729 2517 231 486 416 C ATOM 1806 CD1 TYR L 99 41.469 11.746 15.661 1.00 16.21 C ANISOU 1806 CD1 TYR L 99 1343 1939 2876 218 499 468 C ATOM 1807 CD2 TYR L 99 43.731 11.474 14.961 1.00 16.56 C ANISOU 1807 CD2 TYR L 99 1560 1975 2756 210 383 396 C ATOM 1808 CE1 TYR L 99 41.087 10.679 14.866 1.00 18.25 C ANISOU 1808 CE1 TYR L 99 1546 2157 3231 172 402 491 C ATOM 1809 CE2 TYR L 99 43.363 10.415 14.161 1.00 19.19 C ANISOU 1809 CE2 TYR L 99 1846 2264 3180 173 298 411 C ATOM 1810 CZ TYR L 99 42.042 10.038 14.110 1.00 20.01 C ANISOU 1810 CZ TYR L 99 1840 2352 3414 150 302 453 C ATOM 1811 OH TYR L 99 41.692 8.976 13.310 1.00 24.92 O ANISOU 1811 OH TYR L 99 2413 2924 4130 99 210 449 O ATOM 0 H TYR L 99 41.841 13.116 18.782 1.00 14.40 H new ATOM 0 HA TYR L 99 44.197 12.090 17.979 1.00 13.95 H new ATOM 0 HB2 TYR L 99 42.482 13.929 16.665 1.00 16.19 H new ATOM 0 HB3 TYR L 99 43.953 13.761 16.177 1.00 16.19 H new ATOM 0 HD1 TYR L 99 40.827 12.205 16.153 1.00 16.21 H new ATOM 0 HD2 TYR L 99 44.620 11.746 14.982 1.00 16.56 H new ATOM 0 HE1 TYR L 99 40.200 10.400 14.843 1.00 18.25 H new ATOM 0 HE2 TYR L 99 44.001 9.960 13.661 1.00 19.19 H new ATOM 0 HH TYR L 99 40.876 8.806 13.411 1.00 24.92 H new ATOM 1812 N VAL L 100 45.733 13.978 18.494 1.00 13.14 N ANISOU 1812 N VAL L 100 1336 1730 1928 245 659 279 N ATOM 1813 CA VAL L 100 46.603 15.080 18.886 1.00 15.31 C ANISOU 1813 CA VAL L 100 1684 2032 2100 249 687 186 C ATOM 1814 C VAL L 100 47.486 15.446 17.703 1.00 14.03 C ANISOU 1814 C VAL L 100 1559 1814 1957 258 590 151 C ATOM 1815 O VAL L 100 47.730 14.617 16.818 1.00 14.03 O ANISOU 1815 O VAL L 100 1548 1785 1997 253 500 196 O ATOM 1816 CB VAL L 100 47.450 14.739 20.143 1.00 15.51 C ANISOU 1816 CB VAL L 100 1766 2163 1964 211 711 189 C ATOM 1817 CG1 VAL L 100 46.565 14.669 21.382 1.00 18.26 C ANISOU 1817 CG1 VAL L 100 2088 2587 2263 204 833 210 C ATOM 1818 CG2 VAL L 100 48.176 13.429 19.956 1.00 17.20 C ANISOU 1818 CG2 VAL L 100 1984 2388 2164 189 620 279 C ATOM 0 H VAL L 100 46.148 13.301 18.164 1.00 13.14 H new ATOM 0 HA VAL L 100 46.055 15.841 19.132 1.00 15.31 H new ATOM 0 HB VAL L 100 48.105 15.444 20.265 1.00 15.51 H new ATOM 0 HG11 VAL L 100 47.109 14.456 22.157 1.00 18.26 H new ATOM 0 HG12 VAL L 100 46.131 15.526 21.518 1.00 18.26 H new ATOM 0 HG13 VAL L 100 45.892 13.981 21.261 1.00 18.26 H new ATOM 0 HG21 VAL L 100 48.699 13.232 20.749 1.00 17.20 H new ATOM 0 HG22 VAL L 100 47.531 12.719 19.810 1.00 17.20 H new ATOM 0 HG23 VAL L 100 48.765 13.492 19.188 1.00 17.20 H new ATOM 1819 N PHE L 101 47.937 16.694 17.675 1.00 13.97 N ANISOU 1819 N PHE L 101 1593 1788 1929 270 617 68 N ATOM 1820 CA PHE L 101 48.781 17.215 16.610 1.00 13.27 C ANISOU 1820 CA PHE L 101 1536 1649 1858 277 547 43 C ATOM 1821 C PHE L 101 50.045 17.816 17.184 1.00 14.21 C ANISOU 1821 C PHE L 101 1721 1801 1876 244 553 -30 C ATOM 1822 O PHE L 101 50.041 18.365 18.299 1.00 15.43 O ANISOU 1822 O PHE L 101 1899 1997 1966 225 628 -98 O ATOM 1823 CB PHE L 101 48.052 18.314 15.822 1.00 14.59 C ANISOU 1823 CB PHE L 101 1671 1734 2138 322 571 31 C ATOM 1824 CG PHE L 101 47.012 17.803 14.879 1.00 14.28 C ANISOU 1824 CG PHE L 101 1560 1667 2199 351 523 107 C ATOM 1825 CD1 PHE L 101 45.690 17.679 15.275 1.00 20.15 C ANISOU 1825 CD1 PHE L 101 2228 2408 3021 371 580 138 C ATOM 1826 CD2 PHE L 101 47.353 17.452 13.579 1.00 16.04 C ANISOU 1826 CD2 PHE L 101 1784 1876 2434 353 420 143 C ATOM 1827 CE1 PHE L 101 44.724 17.205 14.393 1.00 25.42 C ANISOU 1827 CE1 PHE L 101 2814 3058 3787 387 520 206 C ATOM 1828 CE2 PHE L 101 46.392 16.984 12.696 1.00 15.84 C ANISOU 1828 CE2 PHE L 101 1690 1841 2485 368 360 200 C ATOM 1829 CZ PHE L 101 45.086 16.851 13.099 1.00 19.50 C ANISOU 1829 CZ PHE L 101 2072 2302 3036 382 402 232 C ATOM 0 H PHE L 101 47.757 17.272 18.286 1.00 13.97 H new ATOM 0 HA PHE L 101 48.996 16.474 16.022 1.00 13.27 H new ATOM 0 HB2 PHE L 101 47.634 18.924 16.449 1.00 14.59 H new ATOM 0 HB3 PHE L 101 48.705 18.826 15.320 1.00 14.59 H new ATOM 0 HD1 PHE L 101 45.446 17.915 16.141 1.00 20.15 H new ATOM 0 HD2 PHE L 101 48.236 17.532 13.298 1.00 16.04 H new ATOM 0 HE1 PHE L 101 43.839 17.125 14.668 1.00 25.42 H new ATOM 0 HE2 PHE L 101 46.633 16.759 11.826 1.00 15.84 H new ATOM 0 HZ PHE L 101 44.446 16.525 12.508 1.00 19.50 H new ATOM 1830 N GLY L 102 51.120 17.733 16.413 1.00 15.56 N ANISOU 1830 N GLY L 102 1917 1961 2033 233 477 -26 N ATOM 1831 CA GLY L 102 52.380 18.343 16.788 1.00 16.29 C ANISOU 1831 CA GLY L 102 2056 2080 2054 196 469 -91 C ATOM 1832 C GLY L 102 52.343 19.844 16.615 1.00 16.81 C ANISOU 1832 C GLY L 102 2138 2071 2178 200 524 -168 C ATOM 1833 O GLY L 102 51.429 20.410 15.998 1.00 16.49 O ANISOU 1833 O GLY L 102 2071 1951 2244 244 558 -151 O ATOM 0 H GLY L 102 51.137 17.321 15.658 1.00 15.56 H new ATOM 0 HA2 GLY L 102 52.583 18.128 17.712 1.00 16.29 H new ATOM 0 HA3 GLY L 102 53.094 17.971 16.247 1.00 16.29 H new ATOM 1834 N THR L 103 53.366 20.496 17.156 1.00 16.81 N ANISOU 1834 N THR L 103 2174 2091 2122 151 530 -249 N ATOM 1835 CA THR L 103 53.422 21.952 17.169 1.00 16.90 C ANISOU 1835 CA THR L 103 2204 2015 2202 142 592 -340 C ATOM 1836 C THR L 103 53.753 22.561 15.804 1.00 16.92 C ANISOU 1836 C THR L 103 2198 1919 2312 164 566 -292 C ATOM 1837 O THR L 103 53.596 23.765 15.608 1.00 20.13 O ANISOU 1837 O THR L 103 2609 2222 2819 171 624 -334 O ATOM 1838 CB THR L 103 54.420 22.435 18.235 1.00 17.81 C ANISOU 1838 CB THR L 103 2357 2189 2222 66 600 -457 C ATOM 1839 OG1 THR L 103 55.657 21.728 18.087 1.00 19.09 O ANISOU 1839 OG1 THR L 103 2516 2428 2309 29 505 -414 O ATOM 1840 CG2 THR L 103 53.868 22.155 19.625 1.00 19.51 C ANISOU 1840 CG2 THR L 103 2587 2501 2324 48 654 -515 C ATOM 0 H THR L 103 54.042 20.111 17.523 1.00 16.81 H new ATOM 0 HA THR L 103 52.530 22.262 17.393 1.00 16.90 H new ATOM 0 HB THR L 103 54.562 23.388 18.122 1.00 17.81 H new ATOM 0 HG1 THR L 103 56.175 22.169 17.594 1.00 19.09 H new ATOM 0 HG21 THR L 103 54.501 22.462 20.293 1.00 19.51 H new ATOM 0 HG22 THR L 103 53.026 22.623 19.739 1.00 19.51 H new ATOM 0 HG23 THR L 103 53.724 21.202 19.730 1.00 19.51 H new ATOM 1841 N GLY L 104 54.198 21.729 14.863 1.00 15.18 N ANISOU 1841 N GLY L 104 1965 1729 2075 176 487 -203 N ATOM 1842 CA GLY L 104 54.451 22.184 13.507 1.00 16.24 C ANISOU 1842 CA GLY L 104 2091 1797 2283 199 465 -141 C ATOM 1843 C GLY L 104 55.882 22.598 13.242 1.00 14.23 C ANISOU 1843 C GLY L 104 1851 1541 2014 151 445 -162 C ATOM 1844 O GLY L 104 56.526 23.235 14.074 1.00 16.52 O ANISOU 1844 O GLY L 104 2156 1826 2293 95 470 -250 O ATOM 0 H GLY L 104 54.359 20.895 14.995 1.00 15.18 H new ATOM 0 HA2 GLY L 104 54.212 21.475 12.890 1.00 16.24 H new ATOM 0 HA3 GLY L 104 53.868 22.935 13.316 1.00 16.24 H new ATOM 1845 N THR L 105 56.379 22.246 12.066 1.00 12.31 N ANISOU 1845 N THR L 105 1600 1309 1770 167 401 -85 N ATOM 1846 CA THR L 105 57.719 22.639 11.657 1.00 13.35 C ANISOU 1846 CA THR L 105 1731 1439 1903 125 392 -86 C ATOM 1847 C THR L 105 57.670 23.386 10.339 1.00 13.51 C ANISOU 1847 C THR L 105 1747 1392 1995 153 412 -5 C ATOM 1848 O THR L 105 57.125 22.867 9.366 1.00 14.32 O ANISOU 1848 O THR L 105 1845 1519 2078 202 383 72 O ATOM 1849 CB THR L 105 58.608 21.403 11.454 1.00 13.40 C ANISOU 1849 CB THR L 105 1723 1540 1827 120 333 -61 C ATOM 1850 OG1 THR L 105 58.673 20.644 12.668 1.00 13.45 O ANISOU 1850 OG1 THR L 105 1728 1616 1767 99 308 -105 O ATOM 1851 CG2 THR L 105 60.022 21.815 11.035 1.00 14.30 C ANISOU 1851 CG2 THR L 105 1820 1658 1954 78 334 -58 C ATOM 0 H THR L 105 55.953 21.776 11.485 1.00 12.31 H new ATOM 0 HA THR L 105 58.083 23.204 12.357 1.00 13.35 H new ATOM 0 HB THR L 105 58.219 20.860 10.750 1.00 13.40 H new ATOM 0 HG1 THR L 105 58.871 21.153 13.307 1.00 13.45 H new ATOM 0 HG21 THR L 105 60.567 21.022 10.912 1.00 14.30 H new ATOM 0 HG22 THR L 105 59.981 22.311 10.203 1.00 14.30 H new ATOM 0 HG23 THR L 105 60.414 22.373 11.725 1.00 14.30 H new ATOM 1852 N LYS L 106 58.240 24.588 10.301 1.00 13.97 N ANISOU 1852 N LYS L 106 1805 1369 2133 115 459 -20 N ATOM 1853 CA ALYS L 106 58.366 25.340 9.055 0.50 15.28 C ANISOU 1853 CA ALYS L 106 1964 1475 2367 135 483 82 C ATOM 1854 CA BLYS L 106 58.356 25.320 9.043 0.50 15.32 C ANISOU 1854 CA BLYS L 106 1969 1482 2371 136 482 84 C ATOM 1855 C LYS L 106 59.649 24.944 8.335 1.00 15.84 C ANISOU 1855 C LYS L 106 2022 1612 2383 107 464 122 C ATOM 1856 O LYS L 106 60.739 25.151 8.862 1.00 16.20 O ANISOU 1856 O LYS L 106 2052 1663 2440 43 471 65 O ATOM 1857 CB ALYS L 106 58.384 26.846 9.341 0.50 15.02 C ANISOU 1857 CB ALYS L 106 1930 1300 2478 106 556 58 C ATOM 1858 CB BLYS L 106 58.315 26.831 9.274 0.50 18.98 C ANISOU 1858 CB BLYS L 106 2432 1802 2980 112 555 66 C ATOM 1859 CG ALYS L 106 58.638 27.718 8.118 0.50 22.98 C ANISOU 1859 CG ALYS L 106 2925 2234 3571 119 590 186 C ATOM 1860 CG BLYS L 106 58.552 27.660 8.011 0.50 23.96 C ANISOU 1860 CG BLYS L 106 3049 2365 3690 127 586 199 C ATOM 1861 CD ALYS L 106 57.630 27.425 7.020 0.50 26.65 C ANISOU 1861 CD ALYS L 106 3385 2731 4009 204 562 321 C ATOM 1862 CD BLYS L 106 57.541 27.323 6.919 0.50 27.07 C ANISOU 1862 CD BLYS L 106 3439 2796 4051 212 555 332 C ATOM 1863 CE ALYS L 106 58.006 28.113 5.712 0.50 27.84 C ANISOU 1863 CE ALYS L 106 3526 2855 4198 216 586 475 C ATOM 1864 CE BLYS L 106 57.821 28.076 5.616 0.50 25.95 C ANISOU 1864 CE BLYS L 106 3285 2620 3954 228 581 489 C ATOM 1865 NZ ALYS L 106 57.229 27.555 4.575 0.50 30.36 N ANISOU 1865 NZ ALYS L 106 3842 3266 4426 286 532 598 N ATOM 1866 NZ BLYS L 106 57.428 29.518 5.688 0.50 26.63 N ANISOU 1866 NZ BLYS L 106 3356 2532 4229 238 652 539 N ATOM 0 H ALYS L 106 58.562 24.988 10.991 0.50 13.97 H new ATOM 0 H BLYS L 106 58.563 24.994 10.986 0.50 13.97 H new ATOM 0 HA ALYS L 106 57.604 25.134 8.492 0.50 15.32 H new ATOM 0 HA BLYS L 106 57.600 25.076 8.486 0.50 15.32 H new ATOM 0 HB2ALYS L 106 57.534 27.099 9.734 0.50 18.98 H new ATOM 0 HB2BLYS L 106 57.452 27.068 9.648 0.50 18.98 H new ATOM 0 HB3ALYS L 106 59.069 27.030 10.003 0.50 18.98 H new ATOM 0 HB3BLYS L 106 58.985 27.066 9.935 0.50 18.98 H new ATOM 0 HG2ALYS L 106 58.586 28.654 8.368 0.50 23.96 H new ATOM 0 HG2BLYS L 106 58.493 28.604 8.227 0.50 23.96 H new ATOM 0 HG3ALYS L 106 59.536 27.562 7.787 0.50 23.96 H new ATOM 0 HG3BLYS L 106 59.450 27.500 7.682 0.50 23.96 H new ATOM 0 HD2ALYS L 106 57.575 26.467 6.878 0.50 27.07 H new ATOM 0 HD2BLYS L 106 57.558 26.368 6.749 0.50 27.07 H new ATOM 0 HD3ALYS L 106 56.750 27.721 7.301 0.50 27.07 H new ATOM 0 HD3BLYS L 106 56.648 27.540 7.230 0.50 27.07 H new ATOM 0 HE2ALYS L 106 57.840 29.066 5.785 0.50 25.95 H new ATOM 0 HE2BLYS L 106 58.766 28.012 5.406 0.50 25.95 H new ATOM 0 HE3ALYS L 106 58.955 28.002 5.545 0.50 25.95 H new ATOM 0 HE3BLYS L 106 57.340 27.649 4.890 0.50 25.95 H new ATOM 0 HZ1ALYS L 106 57.136 28.177 3.945 0.50 26.63 H new ATOM 0 HZ1BLYS L 106 57.471 29.879 4.875 0.50 26.63 H new ATOM 0 HZ2ALYS L 106 57.659 26.853 4.237 0.50 26.63 H new ATOM 0 HZ2BLYS L 106 56.596 29.584 5.998 0.50 26.63 H new ATOM 0 HZ3ALYS L 106 56.425 27.301 4.861 0.50 26.63 H new ATOM 0 HZ3BLYS L 106 57.983 29.950 6.234 0.50 26.63 H new ATOM 1867 N VAL L 107 59.523 24.369 7.141 1.00 14.29 N ANISOU 1867 N VAL L 107 1827 1476 2126 154 440 214 N ATOM 1868 CA VAL L 107 60.687 24.056 6.320 1.00 15.51 C ANISOU 1868 CA VAL L 107 1968 1695 2231 137 444 256 C ATOM 1869 C VAL L 107 60.916 25.192 5.347 1.00 15.93 C ANISOU 1869 C VAL L 107 2014 1688 2349 134 499 363 C ATOM 1870 O VAL L 107 60.020 25.536 4.578 1.00 17.83 O ANISOU 1870 O VAL L 107 2268 1912 2596 183 499 456 O ATOM 1871 CB VAL L 107 60.482 22.768 5.512 1.00 15.49 C ANISOU 1871 CB VAL L 107 1975 1797 2113 186 400 279 C ATOM 1872 CG1 VAL L 107 61.632 22.564 4.519 1.00 19.01 C ANISOU 1872 CG1 VAL L 107 2407 2307 2509 178 429 323 C ATOM 1873 CG2 VAL L 107 60.364 21.574 6.444 1.00 16.60 C ANISOU 1873 CG2 VAL L 107 2115 1983 2210 188 352 192 C ATOM 0 H VAL L 107 58.769 24.152 6.788 1.00 14.29 H new ATOM 0 HA VAL L 107 61.447 23.933 6.911 1.00 15.51 H new ATOM 0 HB VAL L 107 59.657 22.849 5.008 1.00 15.49 H new ATOM 0 HG11 VAL L 107 61.486 21.746 4.018 1.00 19.01 H new ATOM 0 HG12 VAL L 107 61.669 23.316 3.907 1.00 19.01 H new ATOM 0 HG13 VAL L 107 62.470 22.501 5.003 1.00 19.01 H new ATOM 0 HG21 VAL L 107 60.235 20.767 5.922 1.00 16.60 H new ATOM 0 HG22 VAL L 107 61.175 21.492 6.970 1.00 16.60 H new ATOM 0 HG23 VAL L 107 59.607 21.700 7.037 1.00 16.60 H new ATOM 1874 N THR L 108 62.106 25.784 5.390 1.00 15.32 N ANISOU 1874 N THR L 108 1910 1583 2327 73 543 363 N ATOM 1875 CA THR L 108 62.500 26.798 4.413 1.00 16.59 C ANISOU 1875 CA THR L 108 2057 1691 2554 62 606 485 C ATOM 1876 C THR L 108 63.514 26.175 3.462 1.00 19.49 C ANISOU 1876 C THR L 108 2405 2173 2825 61 623 538 C ATOM 1877 O THR L 108 64.508 25.585 3.907 1.00 18.30 O ANISOU 1877 O THR L 108 2223 2076 2654 25 617 464 O ATOM 1878 CB THR L 108 63.133 28.010 5.098 1.00 17.47 C ANISOU 1878 CB THR L 108 2142 1672 2824 -17 659 448 C ATOM 1879 OG1 THR L 108 62.157 28.641 5.940 1.00 21.37 O ANISOU 1879 OG1 THR L 108 2658 2052 3411 -10 662 386 O ATOM 1880 CG2 THR L 108 63.622 29.019 4.064 1.00 22.09 C ANISOU 1880 CG2 THR L 108 2706 2195 3494 -35 733 595 C ATOM 0 H THR L 108 62.705 25.611 5.982 1.00 15.32 H new ATOM 0 HA THR L 108 61.712 27.100 3.935 1.00 16.59 H new ATOM 0 HB THR L 108 63.889 27.708 5.625 1.00 17.47 H new ATOM 0 HG1 THR L 108 62.030 28.170 6.623 1.00 21.37 H new ATOM 0 HG21 THR L 108 64.020 29.779 4.516 1.00 22.09 H new ATOM 0 HG22 THR L 108 64.284 28.601 3.492 1.00 22.09 H new ATOM 0 HG23 THR L 108 62.873 29.319 3.525 1.00 22.09 H new ATOM 1881 N VAL L 109 63.269 26.292 2.159 1.00 18.70 N ANISOU 1881 N VAL L 109 2320 2121 2663 103 646 668 N ATOM 1882 CA VAL L 109 64.204 25.780 1.164 1.00 20.32 C ANISOU 1882 CA VAL L 109 2512 2442 2768 106 684 717 C ATOM 1883 C VAL L 109 65.033 26.944 0.654 1.00 18.06 C ANISOU 1883 C VAL L 109 2189 2098 2576 57 774 834 C ATOM 1884 O VAL L 109 64.509 27.888 0.039 1.00 20.82 O ANISOU 1884 O VAL L 109 2550 2388 2971 72 805 970 O ATOM 1885 CB VAL L 109 63.484 25.067 0.012 1.00 19.79 C ANISOU 1885 CB VAL L 109 2487 2495 2536 174 655 774 C ATOM 1886 CG1 VAL L 109 64.496 24.522 -0.997 1.00 23.12 C ANISOU 1886 CG1 VAL L 109 2898 3044 2843 177 713 801 C ATOM 1887 CG2 VAL L 109 62.598 23.954 0.561 1.00 20.69 C ANISOU 1887 CG2 VAL L 109 2629 2642 2589 211 567 659 C ATOM 0 H VAL L 109 62.567 26.665 1.832 1.00 18.70 H new ATOM 0 HA VAL L 109 64.778 25.115 1.576 1.00 20.32 H new ATOM 0 HB VAL L 109 62.919 25.705 -0.451 1.00 19.79 H new ATOM 0 HG11 VAL L 109 64.026 24.075 -1.718 1.00 23.12 H new ATOM 0 HG12 VAL L 109 65.020 25.254 -1.358 1.00 23.12 H new ATOM 0 HG13 VAL L 109 65.085 23.891 -0.556 1.00 23.12 H new ATOM 0 HG21 VAL L 109 62.146 23.508 -0.173 1.00 20.69 H new ATOM 0 HG22 VAL L 109 63.144 23.313 1.042 1.00 20.69 H new ATOM 0 HG23 VAL L 109 61.939 24.332 1.164 1.00 20.69 H new ATOM 1888 N LEU L 110 66.331 26.884 0.917 1.00 18.34 N ANISOU 1888 N LEU L 110 2168 2146 2654 -1 817 794 N ATOM 1889 CA LEU L 110 67.218 28.020 0.686 1.00 22.84 C ANISOU 1889 CA LEU L 110 2686 2638 3355 -69 903 884 C ATOM 1890 C LEU L 110 67.506 28.231 -0.795 1.00 30.07 C ANISOU 1890 C LEU L 110 3605 3637 4184 -42 966 1037 C ATOM 1891 O LEU L 110 67.616 27.267 -1.548 1.00 26.09 O ANISOU 1891 O LEU L 110 3119 3281 3513 7 967 1035 O ATOM 1892 CB LEU L 110 68.516 27.826 1.469 1.00 23.57 C ANISOU 1892 CB LEU L 110 2702 2734 3521 -145 911 784 C ATOM 1893 CG LEU L 110 68.290 27.772 2.981 1.00 24.07 C ANISOU 1893 CG LEU L 110 2764 2728 3653 -183 832 625 C ATOM 1894 CD1 LEU L 110 69.559 27.392 3.727 1.00 26.67 C ANISOU 1894 CD1 LEU L 110 3011 3103 4021 -250 814 533 C ATOM 1895 CD2 LEU L 110 67.769 29.120 3.461 1.00 25.93 C ANISOU 1895 CD2 LEU L 110 3015 2791 4048 -230 850 630 C ATOM 0 H LEU L 110 66.724 26.187 1.233 1.00 18.34 H new ATOM 0 HA LEU L 110 66.769 28.820 1.001 1.00 22.84 H new ATOM 0 HB2 LEU L 110 68.944 27.005 1.180 1.00 23.57 H new ATOM 0 HB3 LEU L 110 69.126 28.552 1.262 1.00 23.57 H new ATOM 0 HG LEU L 110 67.633 27.084 3.168 1.00 24.07 H new ATOM 0 HD11 LEU L 110 69.379 27.368 4.680 1.00 26.67 H new ATOM 0 HD12 LEU L 110 69.858 26.518 3.432 1.00 26.67 H new ATOM 0 HD13 LEU L 110 70.250 28.048 3.545 1.00 26.67 H new ATOM 0 HD21 LEU L 110 67.625 29.089 4.420 1.00 25.93 H new ATOM 0 HD22 LEU L 110 68.418 29.810 3.255 1.00 25.93 H new ATOM 0 HD23 LEU L 110 66.931 29.321 3.015 1.00 25.93 H new ATOM 1896 N GLY L 111 67.615 29.496 -1.204 1.00 32.80 N ANISOU 1896 N GLY L 111 3937 3892 4634 -69 995 1135 N ATOM 1897 CA GLY L 111 67.852 29.852 -2.595 1.00 39.45 C ANISOU 1897 CA GLY L 111 4785 4813 5391 -44 1032 1268 C ATOM 1898 C GLY L 111 66.597 29.755 -3.444 1.00 51.64 C ANISOU 1898 C GLY L 111 6392 6423 6807 36 983 1352 C ATOM 1899 O GLY L 111 66.629 30.003 -4.653 1.00 56.29 O ANISOU 1899 O GLY L 111 6992 7097 7299 58 1002 1466 O ATOM 0 H GLY L 111 67.553 30.172 -0.676 1.00 32.80 H new ATOM 0 HA2 GLY L 111 68.199 30.757 -2.639 1.00 39.45 H new ATOM 0 HA3 GLY L 111 68.534 29.268 -2.963 1.00 39.45 H new ATOM 1900 N GLU L 112 65.485 29.401 -2.805 1.00 53.40 N ANISOU 1900 N GLU L 112 6650 6611 7028 74 916 1298 N ATOM 1901 CA GLU L 112 64.246 29.112 -3.517 1.00 51.03 C ANISOU 1901 CA GLU L 112 6398 6392 6599 147 849 1357 C ATOM 1902 C GLU L 112 63.058 29.884 -2.945 1.00 56.73 C ANISOU 1902 C GLU L 112 7123 6976 7456 174 804 1383 C ATOM 1903 O GLU L 112 63.082 30.320 -1.793 1.00 57.32 O ANISOU 1903 O GLU L 112 7181 6902 7698 141 819 1307 O ATOM 1904 CB GLU L 112 63.970 27.608 -3.469 1.00 44.16 C ANISOU 1904 CB GLU L 112 5564 5656 5557 183 804 1253 C ATOM 1905 CG GLU L 112 65.130 26.751 -3.975 1.00 34.44 C ANISOU 1905 CG GLU L 112 4325 4556 4206 167 856 1196 C ATOM 1906 CD GLU L 112 65.263 26.774 -5.486 1.00 52.25 C ANISOU 1906 CD GLU L 112 6601 6948 6303 185 871 1282 C ATOM 1907 OE1 GLU L 112 64.312 27.218 -6.164 1.00 57.79 O ANISOU 1907 OE1 GLU L 112 7330 7675 6954 216 820 1379 O ATOM 1908 OE2 GLU L 112 66.321 26.343 -5.995 1.00 50.27 O ANISOU 1908 OE2 GLU L 112 6335 6783 5982 167 936 1250 O ATOM 0 H GLU L 112 65.429 29.322 -1.950 1.00 53.40 H new ATOM 0 HA GLU L 112 64.357 29.400 -4.437 1.00 51.03 H new ATOM 0 HB2 GLU L 112 63.766 27.354 -2.555 1.00 44.16 H new ATOM 0 HB3 GLU L 112 63.181 27.415 -4.000 1.00 44.16 H new ATOM 0 HG2 GLU L 112 65.957 27.066 -3.577 1.00 34.44 H new ATOM 0 HG3 GLU L 112 65.003 25.836 -3.680 1.00 34.44 H new TER 1909 GLU L 112 HETATM 1910 CL CL H 201 27.979 38.175 17.925 1.00 29.77 CL HETATM 1911 CL CL L 601 53.172 14.855 -2.997 1.00 27.93 CL HETATM 1912 CL CL L 602 42.119 24.118 0.554 1.00 24.07 CL HETATM 1913 O HOH H 301 36.802 12.571 24.662 1.00 35.88 O HETATM 1914 O HOH H 302 35.292 8.652 23.392 1.00 45.51 O HETATM 1915 O HOH H 303 32.411 9.516 16.980 1.00 44.63 O HETATM 1916 O HOH H 304 41.285 40.072 19.178 1.00 41.29 O HETATM 1917 O HOH H 305 26.756 29.634 10.357 1.00 33.52 O HETATM 1918 O HOH H 306 35.566 14.478 26.476 1.00 42.33 O HETATM 1919 O HOH H 307 40.877 38.348 20.876 1.00 30.56 O HETATM 1920 O HOH H 308 45.921 2.626 12.976 1.00 33.79 O HETATM 1921 O HOH H 309 41.218 5.777 15.733 1.00 44.32 O HETATM 1922 O HOH H 310 43.644 26.331 18.545 1.00 35.21 O HETATM 1923 O HOH H 311 44.658 27.748 8.474 1.00 27.37 O HETATM 1924 O HOH H 312 39.663 6.028 12.500 1.00 31.77 O HETATM 1925 O HOH H 313 27.120 15.387 21.099 1.00 39.87 O HETATM 1926 O HOH H 314 38.567 31.043 5.425 1.00 42.75 O HETATM 1927 O HOH H 315 44.996 15.028 1.905 1.00 18.20 O HETATM 1928 O HOH H 316 43.070 27.106 4.508 1.00 27.48 O HETATM 1929 O HOH H 317 39.464 27.485 23.196 1.00 34.96 O HETATM 1930 O HOH H 318 47.449 21.014 19.015 1.00 27.66 O HETATM 1931 O HOH H 319 37.774 8.378 15.643 1.00 36.42 O HETATM 1932 O HOH H 320 25.911 15.146 18.458 1.00 42.34 O HETATM 1933 O HOH H 321 35.287 21.091 28.786 1.00 48.12 O HETATM 1934 O HOH H 322 41.803 26.639 2.191 1.00 27.65 O HETATM 1935 O HOH H 323 41.528 33.173 7.764 1.00 35.84 O HETATM 1936 O HOH H 324 45.125 8.542 2.020 1.00 22.31 O HETATM 1937 O HOH H 325 30.056 29.290 8.555 1.00 24.33 O HETATM 1938 O HOH H 326 35.874 24.746 26.383 1.00 47.75 O HETATM 1939 O HOH H 327 36.085 35.725 10.275 1.00 21.11 O HETATM 1940 O HOH H 328 24.097 21.922 17.112 1.00 36.46 O HETATM 1941 O HOH H 329 45.474 -6.265 0.273 1.00 14.95 O HETATM 1942 O HOH H 330 45.769 26.745 16.821 1.00 26.86 O HETATM 1943 O HOH H 331 38.954 -8.212 1.578 1.00 28.64 O HETATM 1944 O HOH H 332 22.532 19.870 13.277 1.00 33.30 O HETATM 1945 O HOH H 333 39.929 39.258 17.074 1.00 41.59 O HETATM 1946 O HOH H 334 40.592 -5.097 8.299 1.00 42.41 O HETATM 1947 O HOH H 335 43.858 -0.081 10.489 1.00 37.31 O HETATM 1948 O HOH H 336 37.200 10.792 23.379 1.00 39.83 O HETATM 1949 O HOH H 337 36.420 45.320 19.925 1.00 25.61 O HETATM 1950 O HOH H 338 30.185 -3.110 2.567 1.00 55.00 O HETATM 1951 O HOH H 339 30.449 9.853 -0.064 1.00 48.37 O HETATM 1952 O HOH H 340 43.220 27.490 22.958 1.00 42.04 O HETATM 1953 O HOH H 341 29.028 35.941 11.391 1.00 40.83 O HETATM 1954 O HOH H 342 25.248 34.901 23.948 1.00 30.40 O HETATM 1955 O HOH H 343 36.441 5.759 9.944 1.00 35.94 O HETATM 1956 O HOH H 344 36.623 2.213 11.658 1.00 42.89 O HETATM 1957 O HOH H 345 42.822 18.679 20.899 1.00 23.74 O HETATM 1958 O HOH H 346 40.560 35.914 11.944 1.00 29.03 O HETATM 1959 O HOH H 347 30.968 19.289 -1.577 1.00 24.37 O HETATM 1960 O HOH H 348 47.617 6.732 10.862 1.00 17.78 O HETATM 1961 O HOH H 349 28.562 44.741 22.094 1.00 26.41 O HETATM 1962 O HOH H 350 31.649 41.824 16.134 1.00 28.92 O HETATM 1963 O HOH H 351 24.448 27.395 21.373 1.00 51.08 O HETATM 1964 O HOH H 352 34.912 29.312 4.301 1.00 16.62 O HETATM 1965 O HOH H 353 38.296 38.291 21.828 1.00 34.82 O HETATM 1966 O HOH H 354 43.414 28.609 20.240 1.00 33.42 O HETATM 1967 O HOH H 355 23.081 21.103 3.719 1.00 53.62 O HETATM 1968 O HOH H 356 29.993 18.612 24.185 1.00 40.68 O HETATM 1969 O HOH H 357 40.765 36.497 19.142 1.00 28.89 O HETATM 1970 O HOH H 358 49.923 28.390 10.852 1.00 32.69 O HETATM 1971 O HOH H 359 32.094 33.108 26.220 1.00 18.21 O HETATM 1972 O HOH H 360 27.684 37.548 22.729 1.00 27.49 O HETATM 1973 O HOH H 361 42.966 32.525 18.587 1.00 24.89 O HETATM 1974 O HOH H 362 20.752 13.216 11.802 1.00 54.66 O HETATM 1975 O HOH H 363 46.991 33.602 16.933 1.00 45.60 O HETATM 1976 O HOH H 364 27.604 9.020 21.287 1.00 61.76 O HETATM 1977 O HOH H 365 29.375 33.711 5.962 1.00 32.16 O HETATM 1978 O HOH H 366 40.379 6.348 9.871 1.00 24.37 O HETATM 1979 O HOH H 367 43.250 20.532 22.737 1.00 36.26 O HETATM 1980 O HOH H 368 37.693 18.533 -0.277 1.00 21.39 O HETATM 1981 O HOH H 369 25.163 33.343 17.221 1.00 54.39 O HETATM 1982 O HOH H 370 42.895 0.000 0.000 0.50 38.51 O HETATM 1983 O HOH H 371 41.464 -12.019 2.541 1.00 36.94 O HETATM 1984 O HOH H 372 45.733 -2.448 5.565 1.00 51.15 O HETATM 1985 O HOH H 373 26.117 20.767 15.504 1.00 23.52 O HETATM 1986 O HOH H 374 49.690 26.398 18.050 1.00 44.08 O HETATM 1987 O HOH H 375 43.028 12.530 -0.350 1.00 27.63 O HETATM 1988 O HOH H 376 27.562 23.972 21.214 1.00 27.47 O HETATM 1989 O HOH H 377 44.764 29.840 10.684 1.00 31.40 O HETATM 1990 O HOH H 378 37.943 23.348 28.962 1.00 52.23 O HETATM 1991 O HOH H 379 42.589 2.080 15.603 1.00 41.88 O HETATM 1992 O HOH H 380 40.213 21.659 0.721 1.00 23.76 O HETATM 1993 O HOH H 381 28.332 8.344 0.390 1.00 62.54 O HETATM 1994 O HOH H 382 25.268 29.104 16.529 1.00 39.10 O HETATM 1995 O HOH H 383 32.703 28.368 29.528 1.00 34.58 O HETATM 1996 O HOH H 384 31.743 17.238 -6.209 1.00 46.09 O HETATM 1997 O HOH H 385 39.217 13.285 -3.440 1.00 45.19 O HETATM 1998 O HOH H 386 36.118 31.421 5.643 1.00 20.58 O HETATM 1999 O HOH H 387 37.488 9.517 18.111 1.00 37.91 O HETATM 2000 O HOH H 388 26.756 39.020 20.843 1.00 26.06 O HETATM 2001 O HOH H 389 36.540 9.428 -3.682 1.00 53.50 O HETATM 2002 O HOH H 390 27.999 10.892 -6.367 1.00 58.83 O HETATM 2003 O HOH H 391 46.028 2.088 8.936 1.00 30.49 O HETATM 2004 O HOH H 392 41.600 17.345 0.614 1.00 21.48 O HETATM 2005 O HOH H 393 24.231 13.428 16.813 1.00 47.28 O HETATM 2006 O HOH H 394 26.755 30.737 23.454 1.00 24.80 O HETATM 2007 O HOH H 395 33.808 12.605 24.105 1.00 37.05 O HETATM 2008 O HOH H 396 39.121 29.226 3.915 1.00 31.51 O HETATM 2009 O HOH H 397 41.532 18.038 25.800 1.00 31.86 O HETATM 2010 O HOH H 398 40.202 3.073 14.763 1.00 46.17 O HETATM 2011 O HOH H 399 33.972 -7.643 3.019 1.00 42.78 O HETATM 2012 O HOH H 400 38.571 28.399 27.622 1.00 45.69 O HETATM 2013 O HOH H 401 47.185 0.968 3.759 1.00 36.94 O HETATM 2014 O HOH H 402 25.781 42.019 20.432 1.00 34.52 O HETATM 2015 O HOH H 403 35.998 -0.553 10.119 1.00 56.77 O HETATM 2016 O HOH H 404 30.797 12.137 -1.447 1.00 40.67 O HETATM 2017 O HOH H 405 43.740 34.526 22.629 1.00 39.95 O HETATM 2018 O HOH H 406 38.078 43.051 16.973 1.00 31.02 O HETATM 2019 O HOH H 407 37.568 36.443 25.424 1.00 17.13 O HETATM 2020 O HOH H 408 47.697 30.109 10.135 1.00 35.93 O HETATM 2021 O HOH H 409 38.507 26.233 25.627 1.00 37.03 O HETATM 2022 O HOH H 410 44.257 -3.853 8.272 1.00 49.26 O HETATM 2023 O HOH H 411 28.449 26.509 26.616 1.00 45.86 O HETATM 2024 O HOH H 412 38.544 39.256 24.675 1.00 19.46 O HETATM 2025 O HOH H 413 31.067 2.251 1.917 1.00 36.18 O HETATM 2026 O HOH H 414 38.886 16.564 -2.370 1.00 36.81 O HETATM 2027 O HOH H 415 21.050 11.846 9.809 1.00 48.54 O HETATM 2028 O HOH H 416 44.934 24.173 25.739 1.00 53.51 O HETATM 2029 O HOH H 417 36.256 41.718 14.663 1.00 34.10 O HETATM 2030 O HOH H 418 35.507 -5.885 6.882 1.00 33.28 O HETATM 2031 O HOH H 419 23.859 13.949 14.485 1.00 27.69 O HETATM 2032 O HOH H 420 33.667 4.664 9.285 1.00 55.44 O HETATM 2033 O HOH H 421 28.189 30.837 28.496 1.00 30.06 O HETATM 2034 O HOH H 422 41.636 42.511 23.130 1.00 32.95 O HETATM 2035 O HOH H 423 40.256 32.837 25.521 1.00 23.40 O HETATM 2036 O HOH H 424 38.498 10.295 -4.251 1.00 50.54 O HETATM 2037 O HOH H 425 24.834 33.634 19.413 1.00 33.16 O HETATM 2038 O HOH H 426 23.601 11.506 12.285 1.00 45.17 O HETATM 2039 O HOH H 427 29.731 10.878 -7.775 1.00 61.50 O HETATM 2040 O HOH H 428 23.001 16.496 -1.097 1.00 54.30 O HETATM 2041 O HOH H 429 26.698 36.926 13.184 1.00 46.47 O HETATM 2042 O HOH H 430 25.463 34.162 26.255 1.00 41.16 O HETATM 2043 O HOH H 431 26.743 31.021 12.974 1.00 19.79 O HETATM 2044 O HOH H 432 35.899 10.832 16.624 1.00 30.54 O HETATM 2045 O HOH H 433 43.366 38.254 24.122 1.00 52.34 O HETATM 2046 O HOH H 434 27.137 14.126 -4.910 1.00 47.64 O HETATM 2047 O HOH H 435 27.098 22.842 23.590 1.00 54.84 O HETATM 2048 O HOH H 436 27.963 12.828 22.257 1.00 44.98 O HETATM 2049 O HOH H 437 40.994 33.142 12.088 1.00 31.61 O HETATM 2050 O HOH H 438 28.255 2.781 0.182 1.00 50.76 O HETATM 2051 O HOH H 439 45.531 18.625 19.089 1.00 12.16 O HETATM 2052 O HOH H 440 28.306 32.796 27.376 1.00 25.49 O HETATM 2053 O HOH H 441 24.498 28.199 10.181 1.00 52.06 O HETATM 2054 O HOH H 442 30.864 21.822 -4.973 1.00 28.99 O HETATM 2055 O HOH H 443 24.523 32.922 22.985 1.00 43.50 O HETATM 2056 O HOH H 444 28.192 8.950 4.952 1.00 48.47 O HETATM 2057 O HOH H 445 41.321 39.781 23.096 1.00 47.14 O HETATM 2058 O HOH H 446 27.005 20.281 -3.539 1.00 35.29 O HETATM 2059 O HOH H 447 29.182 40.416 15.672 1.00 39.56 O HETATM 2060 O HOH H 448 25.054 31.992 9.545 1.00 58.36 O HETATM 2061 O HOH H 449 29.138 17.384 28.314 1.00 47.31 O HETATM 2062 O HOH H 450 28.864 15.737 -7.334 1.00 52.12 O HETATM 2063 O HOH H 451 44.934 11.216 0.907 1.00 27.40 O HETATM 2064 O HOH H 452 41.398 40.913 31.970 1.00 38.82 O HETATM 2065 O HOH H 453 28.561 12.317 -1.471 1.00 41.37 O HETATM 2066 O HOH H 454 35.505 7.416 14.030 1.00 47.41 O HETATM 2067 O HOH H 455 24.860 30.362 14.399 1.00 49.78 O HETATM 2068 O HOH H 456 41.271 19.505 -0.877 1.00 31.75 O HETATM 2069 O HOH H 457 34.394 27.636 30.980 1.00 47.91 O HETATM 2070 O HOH H 458 33.469 3.573 11.562 1.00 53.61 O HETATM 2071 O HOH H 459 25.834 36.996 24.308 1.00 36.28 O HETATM 2072 O HOH H 460 30.636 18.794 30.022 1.00 47.64 O HETATM 2073 O HOH H 461 50.334 24.264 18.386 1.00 40.59 O HETATM 2074 O HOH H 462 38.847 12.610 26.058 1.00 38.48 O HETATM 2075 O HOH H 463 40.452 35.412 29.485 1.00 50.51 O HETATM 2076 O HOH H 464 44.919 31.101 19.987 1.00 37.07 O HETATM 2077 O HOH H 465 30.056 29.218 30.596 1.00 31.61 O HETATM 2078 O HOH H 466 20.982 19.209 15.319 1.00 53.31 O HETATM 2079 O HOH H 467 41.782 29.677 5.047 1.00 41.63 O HETATM 2080 O HOH H 468 40.921 36.781 9.006 1.00 51.07 O HETATM 2081 O HOH H 469 39.527 41.153 15.300 1.00 41.94 O HETATM 2082 O HOH H 470 41.312 35.796 6.846 1.00 46.96 O HETATM 2083 O HOH H 471 39.784 25.348 28.282 1.00 55.36 O HETATM 2084 O HOH H 472 37.720 4.197 13.433 1.00 48.60 O HETATM 2085 O HOH H 473 47.847 22.861 20.503 1.00 40.15 O HETATM 2086 O HOH H 474 36.217 11.222 26.505 1.00 39.08 O HETATM 2087 O HOH H 475 47.095 27.744 19.237 1.00 39.75 O HETATM 2088 O HOH H 476 21.013 18.481 11.239 1.00 46.54 O HETATM 2089 O HOH H 477 34.702 5.453 12.096 1.00 49.84 O HETATM 2090 O HOH H 478 42.146 37.641 13.476 1.00 39.15 O HETATM 2091 O HOH H 479 22.235 20.184 17.985 1.00 42.99 O HETATM 2092 O HOH H 480 36.649 41.172 11.965 1.00 41.35 O HETATM 2093 O HOH H 481 23.214 16.305 19.253 1.00 48.17 O HETATM 2094 O HOH H 482 31.253 41.131 9.703 1.00 51.16 O HETATM 2095 O HOH H 483 19.895 10.287 12.030 1.00 59.01 O HETATM 2096 O HOH H 484 33.240 42.506 10.667 1.00 40.58 O HETATM 2097 O HOH L 701 64.562 28.215 9.224 1.00 32.82 O HETATM 2098 O HOH L 702 45.923 10.522 -2.820 1.00 37.31 O HETATM 2099 O HOH L 703 42.265 29.004 1.209 1.00 33.86 O HETATM 2100 O HOH L 704 67.454 24.859 -7.294 1.00 60.60 O HETATM 2101 O HOH L 705 38.339 10.016 25.707 1.00 33.68 O HETATM 2102 O HOH L 706 52.537 1.289 8.110 1.00 22.02 O HETATM 2103 O HOH L 707 62.952 30.111 0.502 1.00 32.20 O HETATM 2104 O HOH L 708 50.000 17.528 20.835 1.00 37.21 O HETATM 2105 O HOH L 709 47.364 9.349 12.649 1.00 21.66 O HETATM 2106 O HOH L 710 49.422 20.102 19.941 1.00 41.10 O HETATM 2107 O HOH L 711 71.269 15.854 -4.818 1.00 39.28 O HETATM 2108 O HOH L 712 50.734 10.149 27.748 1.00 26.29 O HETATM 2109 O HOH L 713 52.880 0.000 22.450 0.50 27.77 O HETATM 2110 O HOH L 714 54.852 28.276 4.378 1.00 46.36 O HETATM 2111 O HOH L 715 54.222 -2.236 12.835 1.00 47.23 O HETATM 2112 O HOH L 716 57.638 30.483 3.012 1.00 36.80 O HETATM 2113 O HOH L 717 50.201 13.127 -7.437 1.00 50.33 O HETATM 2114 O HOH L 718 48.488 11.972 24.477 1.00 36.17 O HETATM 2115 O HOH L 719 58.585 11.203 25.052 1.00 46.30 O HETATM 2116 O HOH L 720 56.564 2.139 21.603 1.00 34.72 O HETATM 2117 O HOH L 721 56.938 3.341 19.260 1.00 28.02 O HETATM 2118 O HOH L 722 62.125 27.582 8.333 1.00 21.41 O HETATM 2119 O HOH L 723 49.641 22.228 16.622 1.00 27.54 O HETATM 2120 O HOH L 724 43.596 14.568 23.735 1.00 34.96 O HETATM 2121 O HOH L 725 48.275 17.940 -4.200 1.00 47.85 O HETATM 2122 O HOH L 726 45.546 12.568 12.019 1.00 21.49 O HETATM 2123 O HOH L 727 67.269 12.719 6.171 1.00 22.53 O HETATM 2124 O HOH L 728 71.970 20.274 -1.464 1.00 44.35 O HETATM 2125 O HOH L 729 50.121 28.661 -1.100 1.00 45.12 O HETATM 2126 O HOH L 730 44.163 17.873 1.797 1.00 28.76 O HETATM 2127 O HOH L 731 61.877 8.823 14.980 1.00 25.03 O HETATM 2128 O HOH L 732 42.969 15.977 21.539 1.00 25.23 O HETATM 2129 O HOH L 733 50.587 26.254 9.118 1.00 27.09 O HETATM 2130 O HOH L 734 57.220 23.365 16.653 1.00 17.93 O HETATM 2131 O HOH L 735 52.682 26.112 12.995 1.00 34.79 O HETATM 2132 O HOH L 736 71.200 16.203 4.187 1.00 16.44 O HETATM 2133 O HOH L 737 62.240 9.891 2.141 1.00 20.26 O HETATM 2134 O HOH L 738 57.394 5.710 4.330 1.00 17.55 O HETATM 2135 O HOH L 739 42.300 4.487 21.708 1.00 27.15 O HETATM 2136 O HOH L 740 56.649 9.245 -6.546 1.00 36.76 O HETATM 2137 O HOH L 741 61.399 31.720 1.852 1.00 56.31 O HETATM 2138 O HOH L 742 55.186 27.701 1.677 1.00 35.95 O HETATM 2139 O HOH L 743 52.664 2.453 24.909 1.00 29.87 O HETATM 2140 O HOH L 744 53.704 0.718 16.981 1.00 31.25 O HETATM 2141 O HOH L 745 63.833 1.753 17.483 1.00 48.46 O HETATM 2142 O HOH L 746 55.903 18.933 -1.769 1.00 19.84 O HETATM 2143 O HOH L 747 46.816 13.208 0.499 1.00 19.76 O HETATM 2144 O HOH L 748 44.534 1.620 25.220 1.00 36.56 O HETATM 2145 O HOH L 749 38.496 4.861 19.638 1.00 58.14 O HETATM 2146 O HOH L 750 63.810 15.912 -6.146 1.00 28.40 O HETATM 2147 O HOH L 751 62.182 8.474 -0.213 1.00 35.07 O HETATM 2148 O HOH L 752 56.966 26.530 13.250 1.00 23.71 O HETATM 2149 O HOH L 753 52.171 8.488 28.528 1.00 35.35 O HETATM 2150 O HOH L 754 56.459 16.195 23.555 1.00 26.53 O HETATM 2151 O HOH L 755 55.029 28.700 9.968 1.00 32.09 O HETATM 2152 O HOH L 756 52.516 25.421 17.542 1.00 34.77 O HETATM 2153 O HOH L 757 65.855 18.975 -5.680 1.00 34.36 O HETATM 2154 O HOH L 758 61.933 28.625 -6.396 1.00 46.24 O HETATM 2155 O HOH L 759 45.491 20.957 0.555 1.00 32.97 O HETATM 2156 O HOH L 760 56.483 26.158 -1.418 1.00 27.19 O HETATM 2157 O HOH L 761 60.654 27.534 -1.798 1.00 35.38 O HETATM 2158 O HOH L 762 57.018 1.548 10.247 1.00 30.92 O HETATM 2159 O HOH L 763 41.322 14.699 25.749 1.00 23.24 O HETATM 2160 O HOH L 764 67.077 9.997 2.806 1.00 28.00 O HETATM 2161 O HOH L 765 63.266 7.633 20.235 1.00 44.62 O HETATM 2162 O HOH L 766 55.280 25.954 15.116 1.00 32.35 O HETATM 2163 O HOH L 767 64.980 10.643 12.984 1.00 33.11 O HETATM 2164 O HOH L 768 50.299 20.832 0.512 1.00 20.03 O HETATM 2165 O HOH L 769 52.396 27.164 5.266 1.00 27.27 O HETATM 2166 O HOH L 770 55.500 1.967 3.267 1.00 38.84 O HETATM 2167 O HOH L 771 70.938 27.108 -1.738 1.00 43.50 O HETATM 2168 O HOH L 772 52.398 17.891 -2.018 1.00 26.75 O HETATM 2169 O HOH L 773 48.516 22.510 1.828 1.00 18.14 O HETATM 2170 O HOH L 774 71.404 22.889 -3.753 1.00 36.89 O HETATM 2171 O HOH L 775 58.861 16.645 23.860 1.00 32.55 O HETATM 2172 O HOH L 776 46.346 9.330 25.886 1.00 30.42 O HETATM 2173 O HOH L 777 62.005 7.122 6.578 1.00 31.32 O HETATM 2174 O HOH L 778 61.669 8.949 8.487 1.00 19.05 O HETATM 2175 O HOH L 779 62.702 6.578 13.377 1.00 24.39 O HETATM 2176 O HOH L 780 51.041 -1.046 10.875 1.00 32.07 O HETATM 2177 O HOH L 781 64.134 8.314 10.175 1.00 45.78 O HETATM 2178 O HOH L 782 71.540 23.605 3.503 1.00 20.34 O HETATM 2179 O HOH L 783 63.295 3.821 13.095 1.00 48.93 O HETATM 2180 O HOH L 784 54.505 5.624 30.282 1.00 51.15 O HETATM 2181 O HOH L 785 60.480 4.631 5.970 1.00 37.75 O HETATM 2182 O HOH L 786 56.059 8.578 11.022 1.00 14.04 O HETATM 2183 O HOH L 787 57.017 14.216 25.073 1.00 42.78 O HETATM 2184 O HOH L 788 62.574 29.375 14.332 1.00 42.16 O HETATM 2185 O HOH L 789 74.208 23.939 0.997 1.00 45.39 O HETATM 2186 O HOH L 790 57.500 3.901 23.218 1.00 43.69 O HETATM 2187 O HOH L 791 48.123 31.018 5.295 1.00 49.86 O HETATM 2188 O HOH L 792 54.984 25.311 11.663 1.00 25.12 O HETATM 2189 O HOH L 793 47.097 3.670 11.233 1.00 26.60 O HETATM 2190 O HOH L 794 50.435 -1.204 4.750 1.00 46.77 O HETATM 2191 O HOH L 795 49.248 14.076 -4.201 1.00 38.16 O HETATM 2192 O HOH L 796 59.309 2.911 8.578 1.00 32.28 O HETATM 2193 O HOH L 797 46.692 27.643 5.433 1.00 35.78 O HETATM 2194 O HOH L 798 51.633 5.335 -2.463 1.00 37.54 O HETATM 2195 O HOH L 799 65.577 8.592 7.067 1.00 41.46 O HETATM 2196 O HOH L 800 54.287 20.750 -3.182 1.00 35.42 O HETATM 2197 O HOH L 801 58.491 13.836 -6.770 1.00 29.32 O HETATM 2198 O HOH L 802 59.315 2.672 11.712 1.00 19.01 O HETATM 2199 O HOH L 803 62.287 1.637 15.224 1.00 43.43 O HETATM 2200 O HOH L 804 54.007 0.554 10.049 1.00 33.41 O HETATM 2201 O HOH L 805 37.124 7.988 25.460 1.00 37.78 O HETATM 2202 O HOH L 806 72.996 25.949 2.803 1.00 36.49 O HETATM 2203 O HOH L 807 49.124 -1.799 8.190 1.00 54.80 O HETATM 2204 O HOH L 808 66.681 30.585 6.943 1.00 47.25 O HETATM 2205 O HOH L 809 67.399 31.890 0.675 1.00 39.36 O HETATM 2206 O HOH L 810 72.735 17.570 -4.711 1.00 45.09 O HETATM 2207 O HOH L 811 61.426 7.090 23.248 1.00 40.93 O HETATM 2208 O HOH L 812 50.669 4.477 27.747 1.00 22.62 O HETATM 2209 O HOH L 813 56.390 1.365 13.048 1.00 46.94 O HETATM 2210 O HOH L 814 68.549 13.231 -1.195 1.00 14.15 O HETATM 2211 O HOH L 815 57.395 15.757 -5.865 1.00 38.50 O HETATM 2212 O HOH L 816 59.865 4.709 -0.948 1.00 43.58 O HETATM 2213 O HOH L 817 64.772 11.718 -4.141 1.00 19.87 O HETATM 2214 O HOH L 818 58.727 1.283 14.469 1.00 31.11 O HETATM 2215 O HOH L 819 55.646 8.748 27.962 1.00 23.96 O HETATM 2216 O HOH L 820 48.826 3.256 -2.431 1.00 47.44 O HETATM 2217 O HOH L 821 64.206 23.023 -6.312 1.00 21.54 O HETATM 2218 O HOH L 822 53.522 3.331 0.956 1.00 16.05 O HETATM 2219 O HOH L 823 61.127 32.521 -3.026 1.00 54.52 O HETATM 2220 O HOH L 824 60.153 22.714 -6.812 1.00 29.80 O HETATM 2221 O HOH L 825 59.185 31.199 7.827 1.00 46.62 O HETATM 2222 O HOH L 826 72.087 14.171 -3.385 1.00 42.72 O HETATM 2223 O HOH L 827 52.513 -0.845 7.105 1.00 37.49 O HETATM 2224 O HOH L 828 49.841 12.075 27.137 1.00 40.65 O HETATM 2225 O HOH L 829 57.582 5.862 27.679 1.00 44.83 O HETATM 2226 O HOH L 830 68.879 14.991 -4.989 1.00 45.00 O HETATM 2227 O HOH L 831 59.296 4.121 2.787 1.00 39.55 O HETATM 2228 O HOH L 832 59.040 1.804 17.626 1.00 20.78 O HETATM 2229 O HOH L 833 47.570 0.987 6.737 1.00 39.43 O HETATM 2230 O HOH L 834 53.428 14.276 -6.290 1.00 49.04 O HETATM 2231 O HOH L 835 54.719 25.490 -3.508 1.00 32.78 O HETATM 2232 O HOH L 836 53.206 23.087 -4.005 1.00 41.56 O HETATM 2233 O HOH L 837 50.370 23.444 -2.896 1.00 48.09 O HETATM 2234 O HOH L 838 61.675 6.098 -2.948 1.00 49.37 O HETATM 2235 O HOH L 839 55.421 -1.571 5.894 1.00 37.37 O HETATM 2236 O HOH L 840 62.738 5.084 3.504 1.00 48.23 O HETATM 2237 O HOH L 841 55.427 16.909 -3.753 1.00 29.35 O HETATM 2238 O HOH L 842 64.697 6.994 4.407 1.00 53.71 O HETATM 2239 O HOH L 843 68.407 20.464 -6.472 1.00 33.57 O HETATM 2240 O HOH L 844 59.815 29.058 -3.227 1.00 55.31 O HETATM 2241 O HOH L 845 67.657 9.866 5.958 1.00 28.63 O HETATM 2242 O HOH L 846 55.033 2.909 28.831 1.00 43.17 O HETATM 2243 O HOH L 847 56.370 17.526 26.198 1.00 54.88 O HETATM 2244 O HOH L 848 59.486 29.437 12.427 1.00 49.35 O HETATM 2245 O HOH L 849 64.775 8.671 2.352 1.00 27.64 O HETATM 2246 O HOH L 850 61.835 5.850 1.095 1.00 48.70 O HETATM 2247 O HOH L 851 45.113 -0.083 12.607 1.00 47.37 O HETATM 2248 O HOH L 852 52.211 11.450 29.278 1.00 41.92 O HETATM 2249 O HOH L 853 65.276 31.431 1.687 1.00 45.03 O HETATM 2250 O HOH L 854 54.912 -1.807 9.338 1.00 50.59 O HETATM 2251 O HOH L 855 52.653 1.664 27.484 1.00 35.40 O HETATM 2252 O HOH L 856 67.149 16.218 -6.152 1.00 31.80 O HETATM 2253 O HOH L 857 47.012 13.220 -2.337 1.00 34.61 O HETATM 2254 O HOH L 858 49.282 20.965 -1.972 1.00 37.97 O HETATM 2255 O HOH L 859 45.987 7.496 28.220 1.00 44.39 O HETATM 2256 O HOH L 860 56.704 -0.110 17.421 1.00 42.34 O HETATM 2257 O HOH L 861 61.056 29.765 9.858 1.00 32.04 O HETATM 2258 O HOH L 862 52.302 -2.972 9.672 1.00 47.91 O HETATM 2259 O HOH L 863 57.087 29.086 12.333 1.00 43.92 O HETATM 2260 O HOH L 864 56.788 25.894 17.644 1.00 33.14 O HETATM 2261 O HOH L 865 60.254 4.267 24.628 1.00 49.21 O HETATM 2262 O HOH L 866 54.336 28.507 -1.136 1.00 46.65 O HETATM 2263 O HOH L 867 64.155 13.204 -6.338 1.00 36.49 O HETATM 2264 O HOH L 868 54.687 26.272 19.346 1.00 40.58 O HETATM 2265 O HOH L 869 60.964 11.358 24.774 1.00 41.84 O HETATM 2266 O HOH L 870 43.585 21.932 -1.159 1.00 40.57 O HETATM 2267 O HOH L 871 50.992 26.706 -2.705 1.00 50.71 O HETATM 2268 O HOH L 872 56.985 2.942 27.327 1.00 59.33 O HETATM 2269 O HOH L 873 51.459 14.802 28.000 1.00 47.49 O HETATM 2270 O HOH L 874 58.295 -2.188 15.089 1.00 49.81 O CONECT 163 751 CONECT 751 163 CONECT 1161 1722 1723 CONECT 1722 1161 CONECT 1723 1161 END