USER MOD reduce.3.24.130724 H: found=0, std=0, add=1650, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ISOMERASE 11-JUL-16 5LHE TITLE PHOSPHORIBOSYL ANTHRANILATE ISOMERASE FROM THERMOCOCCUS KODAKARAENSIS COMPND MOL_ID: 1; COMPND 2 MOLECULE: N-(5'-PHOSPHORIBOSYL)ANTHRANILATE ISOMERASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PRAI; COMPND 5 EC: 5.3.1.24; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS (STRAIN ATCC BAA-918 SOURCE 3 / JCM 12380 / KOD1); SOURCE 4 ORGANISM_TAXID: 69014; SOURCE 5 GENE: TRPF, TK0256; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET-28A; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: TKTRPF-PET-28 KEYWDS TRYPTOPHAN BIOSYNTHESIS, TIM BARREL, PROTEIN STABILITY, ISOMERASE EXPDTA X-RAY DIFFRACTION AUTHOR S.PERVEEN,N.RASHID,A.C.PAPAGEORGIOU REVDAT 1 09-NOV-16 5LHE 0 JRNL AUTH S.PERVEEN,N.RASHID,A.C.PAPAGEORGIOU JRNL TITL CRYSTAL STRUCTURE OF A PHOSPHORIBOSYL ANTHRANILATE ISOMERASE JRNL TITL 2 FROM THE HYPERTHERMOPHILIC ARCHAEON THERMOCOCCUS JRNL TITL 3 KODAKARAENSIS JRNL REF ACTA CRYSTALLOGR.,SECT.F V. 72 804 2016 JRNL REFN ESSN 2053-230X JRNL DOI 10.1107/S2053230X16015223 REMARK 2 REMARK 2 RESOLUTION. 1.85 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.9_1692 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) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.72 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 89.6 REMARK 3 NUMBER OF REFLECTIONS : 15340 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.222 REMARK 3 R VALUE (WORKING SET) : 0.219 REMARK 3 FREE R VALUE : 0.262 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.920 REMARK 3 FREE R VALUE TEST SET COUNT : 754 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 24.7225 - 3.1617 0.91 3050 178 0.1896 0.2016 REMARK 3 2 3.1617 - 2.5103 0.91 2969 158 0.2362 0.2999 REMARK 3 3 2.5103 - 2.1932 0.90 2899 149 0.2452 0.3417 REMARK 3 4 2.1932 - 1.9928 0.88 2846 142 0.2446 0.3368 REMARK 3 5 1.9928 - 1.8500 0.88 2822 127 0.2519 0.3029 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) : 0.280 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 31.590 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 : 0.007 1640 REMARK 3 ANGLE : 1.128 2219 REMARK 3 CHIRALITY : 0.042 255 REMARK 3 PLANARITY : 0.005 286 REMARK 3 DIHEDRAL : 13.719 625 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 8 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: (CHAIN A AND RESID 2:34) REMARK 3 ORIGIN FOR THE GROUP (A): 97.8051 21.5467 8.8010 REMARK 3 T TENSOR REMARK 3 T11: 0.1495 T22: 0.2092 REMARK 3 T33: 0.1977 T12: -0.0632 REMARK 3 T13: -0.0554 T23: 0.0684 REMARK 3 L TENSOR REMARK 3 L11: 1.5547 L22: 1.4026 REMARK 3 L33: 0.8872 L12: -0.1311 REMARK 3 L13: 0.0387 L23: -0.3489 REMARK 3 S TENSOR REMARK 3 S11: 0.0325 S12: -0.1814 S13: -0.0575 REMARK 3 S21: -0.2717 S22: 0.2702 S23: 0.2476 REMARK 3 S31: 0.1104 S32: -0.3390 S33: -0.0736 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: (CHAIN A AND RESID 35:45) REMARK 3 ORIGIN FOR THE GROUP (A): 107.2581 16.9867 3.6473 REMARK 3 T TENSOR REMARK 3 T11: 0.1721 T22: 0.1647 REMARK 3 T33: 0.1687 T12: -0.0317 REMARK 3 T13: 0.0284 T23: -0.0383 REMARK 3 L TENSOR REMARK 3 L11: 3.8338 L22: 6.5576 REMARK 3 L33: 5.2103 L12: 2.2722 REMARK 3 L13: -2.3096 L23: -3.5264 REMARK 3 S TENSOR REMARK 3 S11: -0.1202 S12: 0.0012 S13: 0.0509 REMARK 3 S21: -0.5338 S22: -0.1376 S23: -0.3814 REMARK 3 S31: 0.3256 S32: 0.1755 S33: -0.0714 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: (CHAIN A AND RESID 46:78) REMARK 3 ORIGIN FOR THE GROUP (A): 109.8207 26.0226 7.5998 REMARK 3 T TENSOR REMARK 3 T11: 0.1199 T22: 0.1248 REMARK 3 T33: 0.2059 T12: -0.0106 REMARK 3 T13: 0.0201 T23: 0.0371 REMARK 3 L TENSOR REMARK 3 L11: 1.2765 L22: 1.5402 REMARK 3 L33: 1.5297 L12: 0.3408 REMARK 3 L13: -0.4269 L23: 0.4807 REMARK 3 S TENSOR REMARK 3 S11: 0.2601 S12: 0.0736 S13: 0.1244 REMARK 3 S21: -0.3574 S22: -0.1470 S23: -0.4906 REMARK 3 S31: -0.1679 S32: 0.0360 S33: -0.0351 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: (CHAIN A AND RESID 79:107) REMARK 3 ORIGIN FOR THE GROUP (A): 112.8949 28.9212 18.5957 REMARK 3 T TENSOR REMARK 3 T11: 0.1773 T22: 0.1370 REMARK 3 T33: 0.2390 T12: -0.0332 REMARK 3 T13: -0.0347 T23: 0.0095 REMARK 3 L TENSOR REMARK 3 L11: 1.2430 L22: 0.3123 REMARK 3 L33: 1.4655 L12: 0.2402 REMARK 3 L13: -0.6963 L23: -0.2553 REMARK 3 S TENSOR REMARK 3 S11: 0.1860 S12: -0.1190 S13: 0.1915 REMARK 3 S21: 0.2674 S22: -0.1534 S23: -0.2562 REMARK 3 S31: -0.3657 S32: 0.0339 S33: 0.0105 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: (CHAIN A AND RESID 108:115) REMARK 3 ORIGIN FOR THE GROUP (A): 104.8289 18.5574 39.6037 REMARK 3 T TENSOR REMARK 3 T11: 0.5698 T22: 0.3395 REMARK 3 T33: 0.3507 T12: 0.0139 REMARK 3 T13: -0.0961 T23: 0.0577 REMARK 3 L TENSOR REMARK 3 L11: 0.8839 L22: 0.3980 REMARK 3 L33: 0.9915 L12: 0.3410 REMARK 3 L13: 0.2653 L23: 0.5929 REMARK 3 S TENSOR REMARK 3 S11: 0.2518 S12: -0.5302 S13: -0.5532 REMARK 3 S21: 0.1038 S22: -0.0442 S23: -0.3896 REMARK 3 S31: 0.6413 S32: 0.6112 S33: -0.0652 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: (CHAIN A AND RESID 116:135) REMARK 3 ORIGIN FOR THE GROUP (A): 107.6728 28.6811 28.4491 REMARK 3 T TENSOR REMARK 3 T11: 0.3413 T22: 0.3158 REMARK 3 T33: 0.0753 T12: -0.1451 REMARK 3 T13: -0.0913 T23: -0.0330 REMARK 3 L TENSOR REMARK 3 L11: 1.2611 L22: 0.9865 REMARK 3 L33: 1.5198 L12: 0.6316 REMARK 3 L13: -0.0741 L23: 0.3202 REMARK 3 S TENSOR REMARK 3 S11: 0.2103 S12: -0.4724 S13: -0.1291 REMARK 3 S21: 0.3247 S22: -0.0019 S23: -0.0921 REMARK 3 S31: 0.0180 S32: 0.2864 S33: 0.0122 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: (CHAIN A AND RESID 136:201) REMARK 3 ORIGIN FOR THE GROUP (A): 93.6300 19.5211 23.4727 REMARK 3 T TENSOR REMARK 3 T11: 0.2435 T22: 0.2248 REMARK 3 T33: 0.1490 T12: -0.0750 REMARK 3 T13: 0.0552 T23: -0.0167 REMARK 3 L TENSOR REMARK 3 L11: 0.4659 L22: 1.4971 REMARK 3 L33: 1.3547 L12: -0.0193 REMARK 3 L13: 0.1850 L23: -0.1458 REMARK 3 S TENSOR REMARK 3 S11: 0.0183 S12: -0.0138 S13: 0.0221 REMARK 3 S21: 0.3904 S22: 0.0898 S23: 0.4065 REMARK 3 S31: 0.0198 S32: -0.3741 S33: -0.0393 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: (CHAIN A AND RESID 202:208) REMARK 3 ORIGIN FOR THE GROUP (A): 83.9856 24.9881 18.1924 REMARK 3 T TENSOR REMARK 3 T11: 0.0377 T22: 0.2877 REMARK 3 T33: 0.8458 T12: -0.0590 REMARK 3 T13: 0.1484 T23: 0.1656 REMARK 3 L TENSOR REMARK 3 L11: 1.9997 L22: 0.2740 REMARK 3 L33: 1.1960 L12: 0.6867 REMARK 3 L13: 0.1160 L23: 0.2510 REMARK 3 S TENSOR REMARK 3 S11: 0.0820 S12: -0.0837 S13: 0.5975 REMARK 3 S21: -0.0423 S22: -0.0777 S23: 0.2787 REMARK 3 S31: -0.2369 S32: -0.2517 S33: -0.2557 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 5LHE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 11-JUL-16. REMARK 100 THE DEPOSITION ID IS D_1200000591. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-DEC-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : MASSIF-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.96598 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 2M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS 0.5.1 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15362 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 REMARK 200 RESOLUTION RANGE LOW (A) : 38.310 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.8 REMARK 200 DATA REDUNDANCY : 2.600 REMARK 200 R MERGE (I) : 0.08500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.89 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.8 REMARK 200 DATA REDUNDANCY IN SHELL : 2.50 REMARK 200 R MERGE FOR SHELL (I) : 0.41400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 4AAJ REMARK 200 REMARK 200 REMARK: RODS REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.95 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS-HCL PH 8, 0.2 M SODIUM REMARK 280 FORMATE, 12% PEG 4000, PH 8.0, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -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 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 44.34800 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 14.54800 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 44.34800 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 14.54800 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 220 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9990 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -15.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 NA NA A 302 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 424 LIES ON A SPECIAL POSITION. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 563 O HOH A 569 1.80 REMARK 500 O HOH A 518 O HOH A 530 1.86 REMARK 500 O HOH A 552 O HOH A 566 2.03 REMARK 500 O HOH A 498 O HOH A 537 2.03 REMARK 500 OE2 GLU A 109 O HOH A 401 2.06 REMARK 500 O ARG A 108 O HOH A 402 2.07 REMARK 500 O HOH A 495 O HOH A 499 2.07 REMARK 500 O HOH A 433 O HOH A 569 2.09 REMARK 500 O HOH A 405 O HOH A 466 2.11 REMARK 500 OE2 GLU A 45 O HOH A 403 2.12 REMARK 500 OD2 ASP A 130 O HOH A 404 2.12 REMARK 500 O VAL A 2 O HOH A 405 2.13 REMARK 500 O HOH A 450 O HOH A 488 2.13 REMARK 500 O HOH A 519 O HOH A 574 2.15 REMARK 500 OE1 GLU A 71 O HOH A 406 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 403 O HOH A 472 4745 2.19 REMARK 500 O HOH A 520 O HOH A 546 4755 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 3 -153.04 -119.12 REMARK 500 ASP A 83 47.57 -81.89 REMARK 500 SER A 184 -86.94 -125.99 REMARK 500 ARG A 206 68.26 -54.19 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 A 582 DISTANCE = 6.14 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 301 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 417 O REMARK 620 2 HOH A 498 O 64.3 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 302 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 544 O REMARK 620 2 HOH A 476 O 64.1 REMARK 620 3 HOH A 544 O 155.8 136.3 REMARK 620 4 HOH A 476 O 134.5 99.6 63.4 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 302 DBREF 5LHE A 2 208 UNP Q9YGB1 TRPF_THEKO 2 208 SEQRES 1 A 207 VAL GLU PHE VAL LYS ILE CYS GLY VAL LYS THR MET ASP SEQRES 2 A 207 GLU LEU ARG LEU VAL GLU ARG TYR ALA ASP ALA THR GLY SEQRES 3 A 207 VAL VAL VAL ASN SER ARG SER LYS ARG LYS VAL PRO LEU SEQRES 4 A 207 LYS THR ALA ALA GLU LEU ILE GLU MET ALA GLU ILE PRO SEQRES 5 A 207 ILE TYR LEU VAL SER THR MET LYS THR PHE PRO GLU TRP SEQRES 6 A 207 ALA ASN ALA VAL GLU LYS THR GLY ALA GLU TYR ILE GLN SEQRES 7 A 207 VAL HIS SER ASP MET HIS PRO LYS ALA VAL ASN ARG LEU SEQRES 8 A 207 LYS ASP GLU TYR GLY VAL SER VAL MET LYS ALA PHE MET SEQRES 9 A 207 VAL PRO ARG GLU SER ASP ASP PRO ALA GLU ASP ALA GLU SEQRES 10 A 207 ARG LEU LEU GLU LEU ILE GLY GLN TYR GLU VAL ASP LYS SEQRES 11 A 207 ILE LEU LEU ASP THR GLY VAL GLY SER GLY ARG ARG HIS SEQRES 12 A 207 ASP TYR ARG VAL SER ALA ILE ILE ALA LYS GLU TYR PRO SEQRES 13 A 207 ILE VAL LEU ALA GLY GLY LEU THR PRO GLU ASN VAL GLY SEQRES 14 A 207 GLU ALA ILE ARG TRP VAL LYS PRO ALA GLY VAL ASP VAL SEQRES 15 A 207 SER SER GLY VAL GLU ARG ASN GLY VAL LYS ASP ARG VAL SEQRES 16 A 207 LEU ILE GLU ALA PHE MET ALA VAL VAL ARG ASN GLY HET NA A 301 1 HET NA A 302 1 HETNAM NA SODIUM ION FORMUL 2 NA 2(NA 1+) FORMUL 4 HOH *182(H2 O) HELIX 1 AA1 THR A 12 GLU A 20 1 9 HELIX 2 AA2 PRO A 39 ALA A 50 1 12 HELIX 3 AA3 THR A 62 GLY A 74 1 13 HELIX 4 AA4 HIS A 85 GLY A 97 1 13 HELIX 5 AA5 ASP A 112 GLY A 125 1 14 HELIX 6 AA6 SER A 140 ALA A 153 1 14 HELIX 7 AA7 ASN A 168 LYS A 177 1 10 HELIX 8 AA8 SER A 184 GLY A 186 5 3 HELIX 9 AA9 ASP A 194 ARG A 206 1 13 SHEET 1 AA1 9 PHE A 4 CYS A 8 0 SHEET 2 AA1 9 ALA A 25 VAL A 29 1 O ALA A 25 N ILE A 7 SHEET 3 AA1 9 ILE A 54 SER A 58 1 O TYR A 55 N THR A 26 SHEET 4 AA1 9 TYR A 77 VAL A 80 1 O GLN A 79 N LEU A 56 SHEET 5 AA1 9 SER A 99 MET A 105 1 O MET A 101 N ILE A 78 SHEET 6 AA1 9 LYS A 131 ASP A 135 1 O LEU A 133 N PHE A 104 SHEET 7 AA1 9 VAL A 159 ALA A 161 1 O ALA A 161 N LEU A 134 SHEET 8 AA1 9 GLY A 180 VAL A 183 1 O GLY A 180 N LEU A 160 SHEET 9 AA1 9 PHE A 4 CYS A 8 1 N LYS A 6 O VAL A 181 SHEET 1 AA2 2 GLU A 188 ARG A 189 0 SHEET 2 AA2 2 VAL A 192 LYS A 193 -1 O VAL A 192 N ARG A 189 LINK NA NA A 301 O HOH A 417 1555 1555 2.42 LINK NA NA A 302 O HOH A 544 1555 1555 2.55 LINK NA NA A 302 O HOH A 476 1555 1555 2.91 LINK NA NA A 301 O HOH A 498 1555 2755 3.13 LINK NA NA A 302 O HOH A 544 1555 2755 2.56 LINK NA NA A 302 O HOH A 476 1555 2755 2.96 CISPEP 1 GLU A 109 SER A 110 0 -1.30 CISPEP 2 SER A 110 ASP A 111 0 -16.68 SITE *** AC1 5 MET A 13 TYR A 22 MET A 49 GLU A 199 SITE *** AC1 5 HOH A 417 SITE *** AC2 2 HOH A 476 HOH A 544 CRYST1 88.696 29.096 83.946 90.00 114.16 90.00 C 1 2 1 4 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 0.011274 0.000000 0.005057 0.00000 SCALE2 0.000000 0.034369 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013056 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 ASN : amide:sc= 1.51 K(o=3.1,f=-4.7) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -163:sc= 1.55 (180deg=0.463) USER MOD Set 2.1: A 32 SER OG : rot 61:sc= 0.245 USER MOD Set 2.2: A 58 SER OG : rot 83:sc= -0.84! USER MOD Set 2.3: A 60 MET CE :methyl 132:sc= -2.89! (180deg=-3.57!) USER MOD Set 3.1: A 13 MET CE :methyl 163:sc= -0.686 (180deg=-1.56!) USER MOD Set 3.2: A 49 MET CE A:methyl 157:sc=-0.00981 (180deg=-0.101) USER MOD Set 4.1: A 6 LYS NZ :NH3+ 140:sc= 3.23 (180deg=0.444) USER MOD Set 4.2: A 8 CYS SG : rot 155:sc= 0.961 USER MOD Set 4.3: A 79 GLN : amide:sc= 1.22 K(o=5.2,f=-8.7!) USER MOD Set 4.4: A 81 HIS : no HD1:sc= 0.412 K(o=5.2,f=2) USER MOD Set 4.5: A 101 MET CE :methyl 166:sc= -0.586 (180deg=-0.856) USER MOD Single : A 11 LYS NZ :NH3+ -97:sc= 1.26 (180deg=-0.425!) USER MOD Single : A 12 THR OG1 : rot 179:sc= 0.718! USER MOD Single : A 22 TYR OH : rot -15:sc= 1.84 USER MOD Single : A 26 THR OG1 : rot 79:sc= 1.49 USER MOD Single : A 31 ASN : amide:sc= 1.4 K(o=1.4,f=-0.31) USER MOD Single : A 34 SER OG : rot 100:sc= 1.69 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0.215 (180deg=0.212) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.355 (180deg=-1.25) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 49 MET CE B:methyl -109:sc= -0.516 (180deg=-1.38) USER MOD Single : A 55 TYR OH : rot 39:sc= 1.18 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -78:sc= 0.862 USER MOD Single : A 73 THR OG1 : rot -75:sc= 1.29 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -142:sc= 1.03 USER MOD Single : A 84 MET CE :methyl 166:sc= -0.219 (180deg=-0.78) USER MOD Single : A 85 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-5.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.7!) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 2.02 (180deg=1.82) USER MOD Single : A 96 TYR OH : rot -29:sc= 1.84 USER MOD Single : A 99 SER OG : rot 87:sc= 1.57 USER MOD Single : A 102 LYS NZ :NH3+ -127:sc= 1.02 (180deg=-0.312) USER MOD Single : A 105 MET CE :methyl 168:sc=-0.00502 (180deg=-0.122) USER MOD Single : A 110 SER OG : rot 180:sc= -0.225 USER MOD Single : A 126 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.8) USER MOD Single : A 127 TYR OH : rot -12:sc= 1.36 USER MOD Single : A 131 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0111) USER MOD Single : A 136 THR OG1 : rot -82:sc= 1.16 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 144 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-4.4!) USER MOD Single : A 146 TYR OH : rot 148:sc= 1.86 USER MOD Single : A 149 SER OG : rot 82:sc= 1.02 USER MOD Single : A 154 LYS NZ :NH3+ -175:sc= 1.77 (180deg=1.73) USER MOD Single : A 156 TYR OH : rot -147:sc= 1.73 USER MOD Single : A 165 THR OG1 : rot 169:sc= 1.46 USER MOD Single : A 168 ASN : amide:sc= 1.21 K(o=1.2,f=-10!) USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 SER OG : rot 50:sc= 0.116 USER MOD Single : A 185 SER OG : rot 180:sc= 0.00824 USER MOD Single : A 190 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.1) USER MOD Single : A 193 LYS NZ :NH3+ 164:sc= 1.36 (180deg=0.68!) USER MOD Single : A 202 MET CE :methyl -172:sc= 0 (180deg=-0.0505) USER MOD Single : A 207 ASN : amide:sc= 0.28 K(o=0.28,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 88.340 35.094 18.314 1.00 71.66 N ANISOU 1 N VAL A 2 7436 10250 9541 750 556 682 N ATOM 2 CA VAL A 2 88.644 35.042 19.738 1.00 68.04 C ANISOU 2 CA VAL A 2 6989 9870 8992 794 632 573 C ATOM 3 C VAL A 2 89.820 34.103 20.019 1.00 71.31 C ANISOU 3 C VAL A 2 7475 10307 9314 726 598 520 C ATOM 4 O VAL A 2 90.694 34.415 20.829 1.00 77.86 O ANISOU 4 O VAL A 2 8357 11139 10086 762 650 367 O ATOM 5 CB VAL A 2 87.409 34.591 20.555 1.00 63.79 C ANISOU 5 CB VAL A 2 6366 9451 8421 811 659 689 C ATOM 6 CG1 VAL A 2 87.771 34.381 22.023 1.00 60.30 C ANISOU 6 CG1 VAL A 2 5941 9102 7867 848 728 598 C ATOM 7 CG2 VAL A 2 86.280 35.600 20.414 1.00 59.52 C ANISOU 7 CG2 VAL A 2 5750 8893 7973 891 706 723 C ATOM 0 HA VAL A 2 88.890 35.939 20.013 1.00 68.04 H new ATOM 0 HB VAL A 2 87.105 33.741 20.200 1.00 63.79 H new ATOM 0 HG11 VAL A 2 86.983 34.099 22.514 1.00 60.30 H new ATOM 0 HG12 VAL A 2 88.456 33.698 22.093 1.00 60.30 H new ATOM 0 HG13 VAL A 2 88.104 35.212 22.396 1.00 60.30 H new ATOM 0 HG21 VAL A 2 85.515 35.304 20.931 1.00 59.52 H new ATOM 0 HG22 VAL A 2 86.575 36.464 20.741 1.00 59.52 H new ATOM 0 HG23 VAL A 2 86.029 35.677 19.480 1.00 59.52 H new ATOM 8 N GLU A 3 89.860 32.971 19.323 1.00 59.60 N ANISOU 8 N GLU A 3 5995 8831 7821 623 504 645 N ATOM 9 CA GLU A 3 90.860 31.949 19.614 1.00 46.85 C ANISOU 9 CA GLU A 3 4435 7244 6122 556 466 617 C ATOM 10 C GLU A 3 91.804 31.630 18.451 1.00 42.79 C ANISOU 10 C GLU A 3 3980 6640 5639 481 394 604 C ATOM 11 O GLU A 3 92.057 32.465 17.588 1.00 50.55 O ANISOU 11 O GLU A 3 4981 7530 6696 503 398 560 O ATOM 12 CB GLU A 3 90.179 30.660 20.052 1.00 39.24 C ANISOU 12 CB GLU A 3 3428 6375 5105 492 421 770 C ATOM 13 CG GLU A 3 89.538 30.716 21.398 1.00 41.71 C ANISOU 13 CG GLU A 3 3693 6801 5354 560 497 778 C ATOM 14 CD GLU A 3 89.179 29.332 21.917 1.00 42.55 C ANISOU 14 CD GLU A 3 3771 7000 5396 494 456 919 C ATOM 15 OE1 GLU A 3 89.790 28.358 21.434 1.00 35.15 O ANISOU 15 OE1 GLU A 3 2875 6031 4448 401 376 959 O ATOM 16 OE2 GLU A 3 88.288 29.220 22.794 1.00 47.97 O ANISOU 16 OE2 GLU A 3 4395 7785 6049 534 504 993 O ATOM 0 H GLU A 3 89.321 32.776 18.682 1.00 59.60 H new ATOM 0 HA GLU A 3 91.406 32.324 20.323 1.00 46.85 H new ATOM 0 HB2 GLU A 3 89.504 30.427 19.396 1.00 39.24 H new ATOM 0 HB3 GLU A 3 90.835 29.946 20.050 1.00 39.24 H new ATOM 0 HG2 GLU A 3 90.139 31.149 22.024 1.00 41.71 H new ATOM 0 HG3 GLU A 3 88.737 31.261 21.351 1.00 41.71 H new ATOM 17 N PHE A 4 92.320 30.404 18.447 1.00 33.08 N ANISOU 17 N PHE A 4 2777 5435 4356 392 329 649 N ATOM 18 CA PHE A 4 93.314 29.972 17.462 1.00 30.85 C ANISOU 18 CA PHE A 4 2554 5076 4093 315 263 628 C ATOM 19 C PHE A 4 93.271 28.448 17.354 1.00 32.26 C ANISOU 19 C PHE A 4 2740 5279 4236 201 170 745 C ATOM 20 O PHE A 4 93.422 27.739 18.351 1.00 25.22 O ANISOU 20 O PHE A 4 1847 4464 3272 198 183 749 O ATOM 21 CB PHE A 4 94.711 30.484 17.862 1.00 23.27 C ANISOU 21 CB PHE A 4 1662 4085 3095 359 321 435 C ATOM 22 CG PHE A 4 95.843 29.975 16.998 1.00 20.92 C ANISOU 22 CG PHE A 4 1497 3655 2797 265 250 376 C ATOM 23 CD1 PHE A 4 96.107 30.554 15.768 1.00 18.67 C ANISOU 23 CD1 PHE A 4 1296 3223 2577 237 225 347 C ATOM 24 CD2 PHE A 4 96.673 28.953 17.443 1.00 29.75 C ANISOU 24 CD2 PHE A 4 2658 4797 3850 213 217 350 C ATOM 25 CE1 PHE A 4 97.166 30.092 14.976 1.00 22.21 C ANISOU 25 CE1 PHE A 4 1865 3554 3018 157 175 290 C ATOM 26 CE2 PHE A 4 97.730 28.494 16.660 1.00 25.22 C ANISOU 26 CE2 PHE A 4 2201 4100 3282 136 164 291 C ATOM 27 CZ PHE A 4 97.969 29.067 15.426 1.00 21.72 C ANISOU 27 CZ PHE A 4 1838 3515 2897 109 147 259 C ATOM 0 H PHE A 4 92.104 29.796 19.016 1.00 33.08 H new ATOM 0 HA PHE A 4 93.112 30.346 16.590 1.00 30.85 H new ATOM 0 HB2 PHE A 4 94.708 31.453 17.831 1.00 23.27 H new ATOM 0 HB3 PHE A 4 94.884 30.230 18.782 1.00 23.27 H new ATOM 0 HD1 PHE A 4 95.577 31.255 15.465 1.00 18.67 H new ATOM 0 HD2 PHE A 4 96.520 28.570 18.276 1.00 29.75 H new ATOM 0 HE1 PHE A 4 97.327 30.478 14.145 1.00 22.21 H new ATOM 0 HE2 PHE A 4 98.273 27.804 16.967 1.00 25.22 H new ATOM 0 HZ PHE A 4 98.672 28.761 14.899 1.00 21.72 H new ATOM 28 N VAL A 5 93.009 27.941 16.155 1.00 29.16 N ANISOU 28 N VAL A 5 2363 4818 3898 106 70 845 N ATOM 29 CA VAL A 5 93.078 26.502 15.949 1.00 24.76 C ANISOU 29 CA VAL A 5 1839 4249 3319 -10 -27 933 C ATOM 30 C VAL A 5 94.133 26.164 14.937 1.00 18.30 C ANISOU 30 C VAL A 5 1166 3287 2500 -87 -93 853 C ATOM 31 O VAL A 5 94.094 26.660 13.815 1.00 19.73 O ANISOU 31 O VAL A 5 1412 3366 2720 -109 -128 841 O ATOM 32 CB VAL A 5 91.775 25.888 15.443 1.00 24.95 C ANISOU 32 CB VAL A 5 1837 4263 3382 -80 -108 1098 C ATOM 33 CG1 VAL A 5 91.975 24.370 15.254 1.00 18.67 C ANISOU 33 CG1 VAL A 5 1095 3431 2568 -198 -203 1165 C ATOM 34 CG2 VAL A 5 90.609 26.197 16.387 1.00 24.85 C ANISOU 34 CG2 VAL A 5 1735 4346 3361 -7 -38 1166 C ATOM 0 H VAL A 5 92.794 28.402 15.462 1.00 29.16 H new ATOM 0 HA VAL A 5 93.278 26.136 16.825 1.00 24.76 H new ATOM 0 HB VAL A 5 91.545 26.282 14.587 1.00 24.95 H new ATOM 0 HG11 VAL A 5 91.151 23.972 14.932 1.00 18.67 H new ATOM 0 HG12 VAL A 5 92.682 24.214 14.608 1.00 18.67 H new ATOM 0 HG13 VAL A 5 92.218 23.967 16.102 1.00 18.67 H new ATOM 0 HG21 VAL A 5 89.797 25.795 16.041 1.00 24.85 H new ATOM 0 HG22 VAL A 5 90.799 25.834 17.266 1.00 24.85 H new ATOM 0 HG23 VAL A 5 90.491 27.158 16.453 1.00 24.85 H new ATOM 35 N LYS A 6 95.055 25.300 15.332 1.00 17.03 N ANISOU 35 N LYS A 6 1063 3117 2290 -126 -107 803 N ATOM 36 CA LYS A 6 96.040 24.781 14.404 1.00 17.06 C ANISOU 36 CA LYS A 6 1208 2983 2292 -202 -167 734 C ATOM 37 C LYS A 6 95.783 23.306 14.161 1.00 21.61 C ANISOU 37 C LYS A 6 1795 3546 2872 -311 -270 847 C ATOM 38 O LYS A 6 95.594 22.542 15.113 1.00 18.57 O ANISOU 38 O LYS A 6 1338 3252 2466 -317 -269 917 O ATOM 39 CB LYS A 6 97.455 24.998 14.945 1.00 18.23 C ANISOU 39 CB LYS A 6 1422 3106 2399 -157 -103 571 C ATOM 40 CG LYS A 6 98.532 24.321 14.135 1.00 15.36 C ANISOU 40 CG LYS A 6 1190 2613 2034 -230 -153 506 C ATOM 41 CD LYS A 6 99.920 24.881 14.478 1.00 24.61 C ANISOU 41 CD LYS A 6 2418 3745 3188 -176 -81 334 C ATOM 42 CE LYS A 6 101.026 24.054 13.855 1.00 16.82 C ANISOU 42 CE LYS A 6 1544 2648 2201 -240 -121 278 C ATOM 43 NZ LYS A 6 101.411 22.979 14.796 1.00 13.16 N ANISOU 43 NZ LYS A 6 1048 2245 1706 -251 -142 303 N ATOM 0 H LYS A 6 95.126 25.002 16.135 1.00 17.03 H new ATOM 0 HA LYS A 6 95.964 25.258 13.563 1.00 17.06 H new ATOM 0 HB2 LYS A 6 97.637 25.950 14.976 1.00 18.23 H new ATOM 0 HB3 LYS A 6 97.496 24.672 15.857 1.00 18.23 H new ATOM 0 HG2 LYS A 6 98.515 23.366 14.304 1.00 15.36 H new ATOM 0 HG3 LYS A 6 98.355 24.445 13.189 1.00 15.36 H new ATOM 0 HD2 LYS A 6 99.986 25.797 14.167 1.00 24.61 H new ATOM 0 HD3 LYS A 6 100.033 24.900 15.441 1.00 24.61 H new ATOM 0 HE2 LYS A 6 100.727 23.673 13.015 1.00 16.82 H new ATOM 0 HE3 LYS A 6 101.792 24.615 13.655 1.00 16.82 H new ATOM 0 HZ1 LYS A 6 101.559 22.227 14.344 1.00 13.16 H new ATOM 0 HZ2 LYS A 6 102.152 23.215 15.229 1.00 13.16 H new ATOM 0 HZ3 LYS A 6 100.754 22.848 15.382 1.00 13.16 H new ATOM 44 N ILE A 7 95.754 22.900 12.896 1.00 19.54 N ANISOU 44 N ILE A 7 1624 3168 2633 -398 -359 868 N ATOM 45 CA ILE A 7 95.713 21.476 12.579 1.00 22.70 C ANISOU 45 CA ILE A 7 2062 3522 3040 -507 -461 942 C ATOM 46 C ILE A 7 97.054 21.056 11.976 1.00 26.00 C ANISOU 46 C ILE A 7 2632 3811 3435 -539 -471 815 C ATOM 47 O ILE A 7 97.380 21.416 10.846 1.00 21.70 O ANISOU 47 O ILE A 7 2195 3163 2889 -561 -490 752 O ATOM 48 CB ILE A 7 94.572 21.143 11.633 1.00 26.23 C ANISOU 48 CB ILE A 7 2493 3941 3531 -592 -571 1068 C ATOM 49 CG1 ILE A 7 93.243 21.384 12.344 1.00 23.75 C ANISOU 49 CG1 ILE A 7 2038 3743 3241 -552 -542 1195 C ATOM 50 CG2 ILE A 7 94.662 19.700 11.206 1.00 27.94 C ANISOU 50 CG2 ILE A 7 2778 4080 3758 -706 -677 1113 C ATOM 51 CD1 ILE A 7 92.023 20.959 11.537 1.00 19.77 C ANISOU 51 CD1 ILE A 7 1542 3195 2775 -625 -631 1313 C ATOM 0 H ILE A 7 95.757 23.424 12.214 1.00 19.54 H new ATOM 0 HA ILE A 7 95.555 20.982 13.399 1.00 22.70 H new ATOM 0 HB ILE A 7 94.630 21.709 10.847 1.00 26.23 H new ATOM 0 HG12 ILE A 7 93.246 20.903 13.186 1.00 23.75 H new ATOM 0 HG13 ILE A 7 93.167 22.327 12.556 1.00 23.75 H new ATOM 0 HG21 ILE A 7 93.931 19.495 10.603 1.00 27.94 H new ATOM 0 HG22 ILE A 7 95.506 19.548 10.753 1.00 27.94 H new ATOM 0 HG23 ILE A 7 94.607 19.127 11.987 1.00 27.94 H new ATOM 0 HD11 ILE A 7 91.218 21.140 12.047 1.00 19.77 H new ATOM 0 HD12 ILE A 7 91.996 21.456 10.704 1.00 19.77 H new ATOM 0 HD13 ILE A 7 92.077 20.010 11.345 1.00 19.77 H new ATOM 52 N CYS A 8 97.824 20.294 12.746 1.00 22.85 N ANISOU 52 N CYS A 8 2240 3423 3019 -537 -455 784 N ATOM 53 CA CYS A 8 99.238 20.043 12.442 1.00 18.12 C ANISOU 53 CA CYS A 8 1760 2721 2403 -538 -435 650 C ATOM 54 C CYS A 8 99.479 18.798 11.604 1.00 22.92 C ANISOU 54 C CYS A 8 2469 3211 3028 -637 -528 668 C ATOM 55 O CYS A 8 98.715 17.829 11.656 1.00 18.85 O ANISOU 55 O CYS A 8 1917 2705 2540 -708 -610 789 O ATOM 56 CB CYS A 8 100.041 19.916 13.733 1.00 18.74 C ANISOU 56 CB CYS A 8 1791 2873 2455 -474 -371 600 C ATOM 57 SG CYS A 8 101.860 19.991 13.473 1.00 31.09 S ANISOU 57 SG CYS A 8 3472 4327 4011 -448 -323 418 S ATOM 0 H CYS A 8 97.545 19.906 13.461 1.00 22.85 H new ATOM 0 HA CYS A 8 99.528 20.806 11.918 1.00 18.12 H new ATOM 0 HB2 CYS A 8 99.778 20.625 14.340 1.00 18.74 H new ATOM 0 HB3 CYS A 8 99.817 19.076 14.164 1.00 18.74 H new ATOM 0 HG CYS A 8 102.393 20.375 14.478 1.00 31.09 H new ATOM 58 N GLY A 9 100.534 18.843 10.803 1.00 19.89 N ANISOU 58 N GLY A 9 2213 2711 2634 -642 -511 547 N ATOM 59 CA GLY A 9 101.057 17.636 10.202 1.00 22.95 C ANISOU 59 CA GLY A 9 2702 2984 3034 -713 -574 530 C ATOM 60 C GLY A 9 100.417 17.245 8.892 1.00 23.71 C ANISOU 60 C GLY A 9 2886 2991 3130 -803 -669 567 C ATOM 61 O GLY A 9 100.115 16.068 8.691 1.00 24.64 O ANISOU 61 O GLY A 9 3031 3058 3274 -882 -759 626 O ATOM 0 H GLY A 9 100.958 19.562 10.597 1.00 19.89 H new ATOM 0 HA2 GLY A 9 102.010 17.749 10.060 1.00 22.95 H new ATOM 0 HA3 GLY A 9 100.948 16.905 10.830 1.00 22.95 H new ATOM 62 N VAL A 10 100.217 18.214 7.998 1.00 18.60 N ANISOU 62 N VAL A 10 2287 2324 2456 -792 -655 533 N ATOM 63 CA VAL A 10 99.706 17.884 6.673 1.00 20.83 C ANISOU 63 CA VAL A 10 2670 2524 2720 -875 -751 556 C ATOM 64 C VAL A 10 100.803 17.308 5.794 1.00 20.42 C ANISOU 64 C VAL A 10 2780 2338 2639 -901 -745 439 C ATOM 65 O VAL A 10 101.978 17.691 5.899 1.00 19.93 O ANISOU 65 O VAL A 10 2760 2246 2568 -840 -645 328 O ATOM 66 CB VAL A 10 99.088 19.080 5.965 1.00 21.53 C ANISOU 66 CB VAL A 10 2759 2638 2783 -855 -745 575 C ATOM 67 CG1 VAL A 10 97.764 19.441 6.613 1.00 17.69 C ANISOU 67 CG1 VAL A 10 2116 2271 2334 -847 -777 710 C ATOM 68 CG2 VAL A 10 100.065 20.275 5.920 1.00 22.94 C ANISOU 68 CG2 VAL A 10 2971 2803 2941 -765 -617 459 C ATOM 0 H VAL A 10 100.368 19.049 8.136 1.00 18.60 H new ATOM 0 HA VAL A 10 99.010 17.223 6.814 1.00 20.83 H new ATOM 0 HB VAL A 10 98.910 18.839 5.042 1.00 21.53 H new ATOM 0 HG11 VAL A 10 97.377 20.204 6.156 1.00 17.69 H new ATOM 0 HG12 VAL A 10 97.157 18.686 6.552 1.00 17.69 H new ATOM 0 HG13 VAL A 10 97.910 19.664 7.546 1.00 17.69 H new ATOM 0 HG21 VAL A 10 99.644 21.020 5.464 1.00 22.94 H new ATOM 0 HG22 VAL A 10 100.296 20.539 6.824 1.00 22.94 H new ATOM 0 HG23 VAL A 10 100.870 20.018 5.443 1.00 22.94 H new ATOM 69 N LYS A 11 100.427 16.370 4.933 1.00 19.09 N ANISOU 69 N LYS A 11 2700 2095 2457 -978 -845 459 N ATOM 70 CA LYS A 11 101.425 15.694 4.113 1.00 21.66 C ANISOU 70 CA LYS A 11 3172 2312 2745 -963 -815 344 C ATOM 71 C LYS A 11 101.101 15.796 2.633 1.00 29.95 C ANISOU 71 C LYS A 11 4346 3310 3722 -994 -862 322 C ATOM 72 O LYS A 11 101.913 15.416 1.791 1.00 32.60 O ANISOU 72 O LYS A 11 4804 3568 4013 -976 -824 224 O ATOM 73 CB LYS A 11 101.552 14.229 4.515 1.00 22.31 C ANISOU 73 CB LYS A 11 3252 2359 2867 -971 -850 358 C ATOM 74 CG LYS A 11 101.766 14.023 6.010 1.00 26.76 C ANISOU 74 CG LYS A 11 3691 2980 3495 -951 -822 406 C ATOM 75 CD LYS A 11 102.807 12.944 6.279 1.00 24.93 C ANISOU 75 CD LYS A 11 3504 2674 3296 -927 -793 342 C ATOM 76 CE LYS A 11 102.322 11.563 5.930 1.00 25.33 C ANISOU 76 CE LYS A 11 3590 2667 3366 -967 -876 384 C ATOM 77 NZ LYS A 11 103.475 10.607 5.988 1.00 20.61 N ANISOU 77 NZ LYS A 11 3050 1981 2801 -936 -835 303 N ATOM 0 H LYS A 11 99.616 16.114 4.809 1.00 19.09 H new ATOM 0 HA LYS A 11 102.272 16.141 4.267 1.00 21.66 H new ATOM 0 HB2 LYS A 11 100.750 13.756 4.242 1.00 22.31 H new ATOM 0 HB3 LYS A 11 102.294 13.832 4.032 1.00 22.31 H new ATOM 0 HG2 LYS A 11 102.050 14.857 6.416 1.00 26.76 H new ATOM 0 HG3 LYS A 11 100.926 13.776 6.428 1.00 26.76 H new ATOM 0 HD2 LYS A 11 103.608 13.139 5.768 1.00 24.93 H new ATOM 0 HD3 LYS A 11 103.056 12.967 7.216 1.00 24.93 H new ATOM 0 HE2 LYS A 11 101.627 11.287 6.548 1.00 25.33 H new ATOM 0 HE3 LYS A 11 101.930 11.561 5.043 1.00 25.33 H new ATOM 0 HZ1 LYS A 11 103.803 10.487 5.169 1.00 20.61 H new ATOM 0 HZ2 LYS A 11 104.110 10.939 6.516 1.00 20.61 H new ATOM 0 HZ3 LYS A 11 103.198 9.826 6.313 1.00 20.61 H new ATOM 78 N THR A 12 99.914 16.303 2.315 1.00 29.00 N ANISOU 78 N THR A 12 4188 3241 3591 -1040 -945 419 N ATOM 79 CA THR A 12 99.474 16.416 0.922 1.00 22.77 C ANISOU 79 CA THR A 12 3514 2412 2727 -1082 -1013 417 C ATOM 80 C THR A 12 98.689 17.700 0.687 1.00 24.08 C ANISOU 80 C THR A 12 3632 2637 2882 -1104 -1048 491 C ATOM 81 O THR A 12 98.209 18.339 1.647 1.00 17.51 O ANISOU 81 O THR A 12 2650 1892 2113 -1082 -1029 565 O ATOM 82 CB THR A 12 98.579 15.226 0.506 1.00 29.76 C ANISOU 82 CB THR A 12 4416 3277 3614 -1138 -1133 481 C ATOM 83 OG1 THR A 12 97.359 15.265 1.258 1.00 27.23 O ANISOU 83 OG1 THR A 12 3948 3038 3360 -1165 -1201 622 O ATOM 84 CG2 THR A 12 99.290 13.880 0.732 1.00 26.70 C ANISOU 84 CG2 THR A 12 4070 2824 3251 -1122 -1109 416 C ATOM 0 H THR A 12 99.344 16.589 2.892 1.00 29.00 H new ATOM 0 HA THR A 12 100.282 16.420 0.385 1.00 22.77 H new ATOM 0 HB THR A 12 98.388 15.304 -0.442 1.00 29.76 H new ATOM 0 HG1 THR A 12 96.867 14.625 1.027 1.00 27.23 H new ATOM 0 HG21 THR A 12 98.704 13.155 0.462 1.00 26.70 H new ATOM 0 HG22 THR A 12 100.104 13.851 0.205 1.00 26.70 H new ATOM 0 HG23 THR A 12 99.511 13.784 1.672 1.00 26.70 H new ATOM 85 N MET A 13 98.565 18.068 -0.590 1.00 22.56 N ANISOU 85 N MET A 13 3561 2405 2605 -1136 -1091 473 N ATOM 86 CA MET A 13 97.729 19.183 -1.018 1.00 20.96 C ANISOU 86 CA MET A 13 3320 2261 2384 -1141 -1134 557 C ATOM 87 C MET A 13 96.270 18.996 -0.624 1.00 26.76 C ANISOU 87 C MET A 13 3911 3075 3180 -1192 -1260 707 C ATOM 88 O MET A 13 95.578 19.965 -0.295 1.00 27.82 O ANISOU 88 O MET A 13 3924 3295 3353 -1143 -1242 795 O ATOM 89 CB MET A 13 97.778 19.356 -2.538 1.00 22.66 C ANISOU 89 CB MET A 13 3706 2422 2483 -1179 -1186 524 C ATOM 90 CG MET A 13 99.141 19.464 -3.141 1.00 35.93 C ANISOU 90 CG MET A 13 5541 4021 4089 -1141 -1068 386 C ATOM 91 SD MET A 13 99.064 19.052 -4.902 1.00 56.96 S ANISOU 91 SD MET A 13 8421 6621 6600 -1208 -1160 349 S ATOM 92 CE MET A 13 97.467 19.735 -5.339 1.00 33.37 C ANISOU 92 CE MET A 13 5361 3720 3597 -1257 -1319 510 C ATOM 0 H MET A 13 98.970 17.671 -1.236 1.00 22.56 H new ATOM 0 HA MET A 13 98.086 19.967 -0.572 1.00 20.96 H new ATOM 0 HB2 MET A 13 97.322 18.604 -2.946 1.00 22.66 H new ATOM 0 HB3 MET A 13 97.276 20.153 -2.771 1.00 22.66 H new ATOM 0 HG2 MET A 13 99.485 20.363 -3.025 1.00 35.93 H new ATOM 0 HG3 MET A 13 99.754 18.865 -2.686 1.00 35.93 H new ATOM 0 HE1 MET A 13 97.406 19.825 -6.303 1.00 33.37 H new ATOM 0 HE2 MET A 13 96.765 19.144 -5.025 1.00 33.37 H new ATOM 0 HE3 MET A 13 97.364 20.607 -4.926 1.00 33.37 H new ATOM 93 N ASP A 14 95.797 17.753 -0.719 1.00 28.06 N ANISOU 93 N ASP A 14 4090 3211 3361 -1228 -1325 736 N ATOM 94 CA ASP A 14 94.421 17.437 -0.354 1.00 24.83 C ANISOU 94 CA ASP A 14 3551 2860 3025 -1259 -1405 878 C ATOM 95 C ASP A 14 94.241 17.730 1.122 1.00 28.29 C ANISOU 95 C ASP A 14 3809 3388 3553 -1209 -1336 939 C ATOM 96 O ASP A 14 93.331 18.466 1.510 1.00 34.89 O ANISOU 96 O ASP A 14 4507 4310 4439 -1190 -1338 1042 O ATOM 97 CB ASP A 14 94.083 15.983 -0.672 1.00 34.99 C ANISOU 97 CB ASP A 14 4895 4081 4318 -1310 -1479 885 C ATOM 98 CG ASP A 14 93.948 15.730 -2.161 1.00 45.72 C ANISOU 98 CG ASP A 14 6410 5369 5591 -1363 -1561 845 C ATOM 99 OD1 ASP A 14 93.753 16.713 -2.915 1.00 42.20 O ANISOU 99 OD1 ASP A 14 6000 4943 5093 -1370 -1580 856 O ATOM 100 OD2 ASP A 14 94.035 14.552 -2.576 1.00 49.92 O ANISOU 100 OD2 ASP A 14 7028 5832 6108 -1395 -1608 804 O ATOM 0 H ASP A 14 96.258 17.081 -0.993 1.00 28.06 H new ATOM 0 HA ASP A 14 93.812 17.985 -0.874 1.00 24.83 H new ATOM 0 HB2 ASP A 14 94.775 15.407 -0.311 1.00 34.99 H new ATOM 0 HB3 ASP A 14 93.254 15.743 -0.230 1.00 34.99 H new ATOM 101 N GLU A 15 95.131 17.178 1.941 1.00 22.35 N ANISOU 101 N GLU A 15 3055 2619 2819 -1177 -1264 872 N ATOM 102 CA GLU A 15 95.076 17.419 3.372 1.00 20.94 C ANISOU 102 CA GLU A 15 2716 2530 2709 -1127 -1191 920 C ATOM 103 C GLU A 15 95.150 18.912 3.693 1.00 25.38 C ANISOU 103 C GLU A 15 3191 3173 3280 -1073 -1127 920 C ATOM 104 O GLU A 15 94.408 19.408 4.536 1.00 29.09 O ANISOU 104 O GLU A 15 3502 3748 3801 -1028 -1099 1012 O ATOM 105 CB GLU A 15 96.199 16.678 4.080 1.00 20.53 C ANISOU 105 CB GLU A 15 2695 2439 2664 -1100 -1123 832 C ATOM 106 CG GLU A 15 95.983 15.189 4.219 1.00 23.96 C ANISOU 106 CG GLU A 15 3153 2828 3124 -1133 -1179 863 C ATOM 107 CD GLU A 15 97.017 14.560 5.127 1.00 21.44 C ANISOU 107 CD GLU A 15 2829 2491 2829 -1097 -1109 801 C ATOM 108 OE1 GLU A 15 98.170 15.029 5.126 1.00 19.09 O ANISOU 108 OE1 GLU A 15 2586 2162 2505 -1058 -1026 688 O ATOM 109 OE2 GLU A 15 96.685 13.595 5.845 1.00 24.99 O ANISOU 109 OE2 GLU A 15 3218 2952 3326 -1108 -1136 872 O ATOM 0 H GLU A 15 95.771 16.663 1.686 1.00 22.35 H new ATOM 0 HA GLU A 15 94.223 17.085 3.692 1.00 20.94 H new ATOM 0 HB2 GLU A 15 97.026 16.829 3.595 1.00 20.53 H new ATOM 0 HB3 GLU A 15 96.315 17.060 4.964 1.00 20.53 H new ATOM 0 HG2 GLU A 15 95.096 15.021 4.573 1.00 23.96 H new ATOM 0 HG3 GLU A 15 96.023 14.772 3.344 1.00 23.96 H new ATOM 110 N LEU A 16 96.025 19.628 2.993 1.00 22.35 N ANISOU 110 N LEU A 16 2928 2731 2834 -1027 -1055 811 N ATOM 111 CA LEU A 16 96.209 21.060 3.224 1.00 19.59 C ANISOU 111 CA LEU A 16 2529 2427 2485 -922 -940 789 C ATOM 112 C LEU A 16 94.969 21.883 2.884 1.00 22.42 C ANISOU 112 C LEU A 16 2804 2851 2865 -914 -995 908 C ATOM 113 O LEU A 16 94.510 22.696 3.692 1.00 26.52 O ANISOU 113 O LEU A 16 3185 3455 3436 -838 -930 958 O ATOM 114 CB LEU A 16 97.413 21.574 2.422 1.00 24.09 C ANISOU 114 CB LEU A 16 3253 2907 2992 -889 -858 658 C ATOM 115 CG LEU A 16 97.608 23.090 2.386 1.00 20.93 C ANISOU 115 CG LEU A 16 2828 2527 2598 -796 -752 636 C ATOM 116 CD1 LEU A 16 97.704 23.671 3.786 1.00 26.30 C ANISOU 116 CD1 LEU A 16 3364 3284 3343 -708 -650 626 C ATOM 117 CD2 LEU A 16 98.850 23.457 1.580 1.00 26.37 C ANISOU 117 CD2 LEU A 16 3668 3121 3230 -777 -670 516 C ATOM 0 H LEU A 16 96.526 19.302 2.375 1.00 22.35 H new ATOM 0 HA LEU A 16 96.371 21.171 4.174 1.00 19.59 H new ATOM 0 HB2 LEU A 16 98.216 21.173 2.789 1.00 24.09 H new ATOM 0 HB3 LEU A 16 97.328 21.256 1.509 1.00 24.09 H new ATOM 0 HG LEU A 16 96.829 23.473 1.953 1.00 20.93 H new ATOM 0 HD11 LEU A 16 97.827 24.632 3.730 1.00 26.30 H new ATOM 0 HD12 LEU A 16 96.888 23.478 4.273 1.00 26.30 H new ATOM 0 HD13 LEU A 16 98.458 23.275 4.250 1.00 26.30 H new ATOM 0 HD21 LEU A 16 98.956 24.421 1.569 1.00 26.37 H new ATOM 0 HD22 LEU A 16 99.631 23.051 1.987 1.00 26.37 H new ATOM 0 HD23 LEU A 16 98.754 23.133 0.671 1.00 26.37 H new ATOM 118 N ARG A 17 94.423 21.690 1.692 1.00 21.41 N ANISOU 118 N ARG A 17 2756 2685 2694 -988 -1115 953 N ATOM 119 CA ARG A 17 93.236 22.448 1.299 1.00 20.28 C ANISOU 119 CA ARG A 17 2529 2602 2573 -982 -1182 1077 C ATOM 120 C ARG A 17 92.045 22.171 2.225 1.00 27.95 C ANISOU 120 C ARG A 17 3309 3673 3639 -990 -1223 1208 C ATOM 121 O ARG A 17 91.223 23.063 2.479 1.00 27.22 O ANISOU 121 O ARG A 17 3092 3651 3599 -929 -1193 1290 O ATOM 122 CB ARG A 17 92.880 22.140 -0.153 1.00 29.17 C ANISOU 122 CB ARG A 17 3785 3673 3625 -1071 -1323 1100 C ATOM 123 CG ARG A 17 93.879 22.723 -1.140 1.00 30.64 C ANISOU 123 CG ARG A 17 4147 3780 3715 -1042 -1259 995 C ATOM 124 CD ARG A 17 93.934 24.237 -0.973 1.00 33.78 C ANISOU 124 CD ARG A 17 4484 4209 4142 -930 -1144 1011 C ATOM 125 NE ARG A 17 94.576 24.898 -2.103 1.00 40.88 N ANISOU 125 NE ARG A 17 5537 5043 4955 -914 -1108 960 N ATOM 126 CZ ARG A 17 95.573 25.771 -1.991 1.00 45.38 C ANISOU 126 CZ ARG A 17 6146 5573 5525 -832 -956 875 C ATOM 127 NH1 ARG A 17 96.045 26.086 -0.794 1.00 41.65 N ANISOU 127 NH1 ARG A 17 5574 5121 5131 -760 -836 821 N ATOM 128 NH2 ARG A 17 96.095 26.330 -3.075 1.00 48.27 N ANISOU 128 NH2 ARG A 17 6648 5880 5811 -825 -927 847 N ATOM 0 H ARG A 17 94.715 21.136 1.103 1.00 21.41 H new ATOM 0 HA ARG A 17 93.443 23.392 1.382 1.00 20.28 H new ATOM 0 HB2 ARG A 17 92.835 21.179 -0.274 1.00 29.17 H new ATOM 0 HB3 ARG A 17 91.997 22.492 -0.347 1.00 29.17 H new ATOM 0 HG2 ARG A 17 94.757 22.339 -0.991 1.00 30.64 H new ATOM 0 HG3 ARG A 17 93.621 22.497 -2.047 1.00 30.64 H new ATOM 0 HD2 ARG A 17 93.033 24.581 -0.869 1.00 33.78 H new ATOM 0 HD3 ARG A 17 94.416 24.453 -0.159 1.00 33.78 H new ATOM 0 HE ARG A 17 94.292 24.711 -2.893 1.00 40.88 H new ATOM 0 HH11 ARG A 17 95.707 25.726 -0.090 1.00 41.65 H new ATOM 0 HH12 ARG A 17 96.690 26.650 -0.721 1.00 41.65 H new ATOM 0 HH21 ARG A 17 95.789 26.128 -3.853 1.00 48.27 H new ATOM 0 HH22 ARG A 17 96.740 26.894 -3.000 1.00 48.27 H new ATOM 129 N LEU A 18 91.966 20.941 2.731 1.00 31.10 N ANISOU 129 N LEU A 18 3697 4053 4065 -1045 -1234 1208 N ATOM 130 CA LEU A 18 90.963 20.568 3.720 1.00 30.83 C ANISOU 130 CA LEU A 18 3510 4091 4114 -1035 -1207 1312 C ATOM 131 C LEU A 18 91.110 21.405 4.996 1.00 29.14 C ANISOU 131 C LEU A 18 3156 3982 3935 -927 -1087 1318 C ATOM 132 O LEU A 18 90.178 22.107 5.383 1.00 25.85 O ANISOU 132 O LEU A 18 2612 3642 3567 -873 -1049 1401 O ATOM 133 CB LEU A 18 91.049 19.067 4.044 1.00 28.42 C ANISOU 133 CB LEU A 18 3247 3735 3817 -1099 -1239 1314 C ATOM 134 CG LEU A 18 90.110 18.530 5.144 1.00 28.43 C ANISOU 134 CG LEU A 18 3107 3805 3889 -1092 -1210 1429 C ATOM 135 CD1 LEU A 18 88.651 18.799 4.828 1.00 34.79 C ANISOU 135 CD1 LEU A 18 3824 4648 4747 -1116 -1255 1550 C ATOM 136 CD2 LEU A 18 90.325 17.048 5.403 1.00 30.31 C ANISOU 136 CD2 LEU A 18 3402 3983 4133 -1146 -1253 1433 C ATOM 0 H LEU A 18 92.495 20.300 2.508 1.00 31.10 H new ATOM 0 HA LEU A 18 90.089 20.749 3.341 1.00 30.83 H new ATOM 0 HB2 LEU A 18 90.871 18.572 3.229 1.00 28.42 H new ATOM 0 HB3 LEU A 18 91.962 18.867 4.304 1.00 28.42 H new ATOM 0 HG LEU A 18 90.338 19.014 5.953 1.00 28.43 H new ATOM 0 HD11 LEU A 18 88.095 18.447 5.541 1.00 34.79 H new ATOM 0 HD12 LEU A 18 88.508 19.755 4.749 1.00 34.79 H new ATOM 0 HD13 LEU A 18 88.416 18.367 3.992 1.00 34.79 H new ATOM 0 HD21 LEU A 18 89.718 16.749 6.098 1.00 30.31 H new ATOM 0 HD22 LEU A 18 90.154 16.549 4.589 1.00 30.31 H new ATOM 0 HD23 LEU A 18 91.240 16.898 5.687 1.00 30.31 H new ATOM 137 N VAL A 19 92.278 21.359 5.633 1.00 27.68 N ANISOU 137 N VAL A 19 2994 3799 3725 -892 -1024 1225 N ATOM 138 CA VAL A 19 92.441 22.020 6.929 1.00 23.07 C ANISOU 138 CA VAL A 19 2283 3315 3169 -788 -902 1217 C ATOM 139 C VAL A 19 92.244 23.522 6.802 1.00 23.44 C ANISOU 139 C VAL A 19 2293 3388 3225 -687 -824 1203 C ATOM 140 O VAL A 19 91.797 24.177 7.745 1.00 20.02 O ANISOU 140 O VAL A 19 1724 3050 2831 -600 -741 1237 O ATOM 141 CB VAL A 19 93.832 21.746 7.578 1.00 29.41 C ANISOU 141 CB VAL A 19 3159 4083 3934 -750 -804 1078 C ATOM 142 CG1 VAL A 19 94.109 20.268 7.652 1.00 23.81 C ANISOU 142 CG1 VAL A 19 2496 3329 3222 -844 -878 1088 C ATOM 143 CG2 VAL A 19 94.953 22.453 6.831 1.00 36.85 C ANISOU 143 CG2 VAL A 19 4246 4928 4826 -713 -742 935 C ATOM 0 H VAL A 19 92.979 20.957 5.339 1.00 27.68 H new ATOM 0 HA VAL A 19 91.760 21.643 7.507 1.00 23.07 H new ATOM 0 HB VAL A 19 93.802 22.104 8.479 1.00 29.41 H new ATOM 0 HG11 VAL A 19 94.978 20.121 8.058 1.00 23.81 H new ATOM 0 HG12 VAL A 19 93.425 19.837 8.188 1.00 23.81 H new ATOM 0 HG13 VAL A 19 94.103 19.892 6.758 1.00 23.81 H new ATOM 0 HG21 VAL A 19 95.801 22.261 7.261 1.00 36.85 H new ATOM 0 HG22 VAL A 19 94.978 22.140 5.913 1.00 36.85 H new ATOM 0 HG23 VAL A 19 94.796 23.410 6.841 1.00 36.85 H new ATOM 144 N GLU A 20 92.541 24.068 5.624 1.00 25.05 N ANISOU 144 N GLU A 20 2616 3506 3394 -695 -849 1157 N ATOM 145 CA GLU A 20 92.430 25.512 5.418 1.00 21.74 C ANISOU 145 CA GLU A 20 2176 3092 2994 -600 -775 1146 C ATOM 146 C GLU A 20 90.994 26.011 5.512 1.00 20.97 C ANISOU 146 C GLU A 20 1924 3081 2965 -575 -818 1296 C ATOM 147 O GLU A 20 90.745 27.192 5.714 1.00 22.32 O ANISOU 147 O GLU A 20 2029 3276 3176 -476 -740 1302 O ATOM 148 CB GLU A 20 93.026 25.900 4.078 1.00 18.11 C ANISOU 148 CB GLU A 20 1880 2523 2476 -624 -799 1086 C ATOM 149 CG GLU A 20 94.466 26.269 4.217 1.00 20.22 C ANISOU 149 CG GLU A 20 2251 2722 2711 -575 -677 928 C ATOM 150 CD GLU A 20 95.224 26.322 2.897 1.00 27.11 C ANISOU 150 CD GLU A 20 3303 3484 3513 -617 -696 864 C ATOM 151 OE1 GLU A 20 94.627 26.151 1.815 1.00 26.09 O ANISOU 151 OE1 GLU A 20 3232 3333 3346 -679 -807 938 O ATOM 152 OE2 GLU A 20 96.441 26.542 2.963 1.00 29.50 O ANISOU 152 OE2 GLU A 20 3686 3727 3795 -585 -597 739 O ATOM 0 H GLU A 20 92.806 23.625 4.936 1.00 25.05 H new ATOM 0 HA GLU A 20 92.928 25.936 6.134 1.00 21.74 H new ATOM 0 HB2 GLU A 20 92.937 25.162 3.455 1.00 18.11 H new ATOM 0 HB3 GLU A 20 92.532 26.647 3.705 1.00 18.11 H new ATOM 0 HG2 GLU A 20 94.528 27.135 4.649 1.00 20.22 H new ATOM 0 HG3 GLU A 20 94.899 25.628 4.802 1.00 20.22 H new ATOM 153 N ARG A 21 90.047 25.108 5.387 1.00 26.85 N ANISOU 153 N ARG A 21 2605 3864 3733 -662 -937 1416 N ATOM 154 CA ARG A 21 88.654 25.513 5.542 1.00 30.36 C ANISOU 154 CA ARG A 21 2925 4367 4245 -634 -925 1527 C ATOM 155 C ARG A 21 88.262 25.723 7.005 1.00 29.98 C ANISOU 155 C ARG A 21 2730 4421 4240 -546 -804 1550 C ATOM 156 O ARG A 21 87.220 26.319 7.295 1.00 36.79 O ANISOU 156 O ARG A 21 3482 5339 5157 -490 -765 1629 O ATOM 157 CB ARG A 21 87.735 24.481 4.895 1.00 35.87 C ANISOU 157 CB ARG A 21 3650 5029 4950 -753 -1030 1600 C ATOM 158 CG ARG A 21 87.887 24.415 3.389 1.00 41.45 C ANISOU 158 CG ARG A 21 4494 5647 5608 -829 -1144 1579 C ATOM 159 CD ARG A 21 86.624 23.896 2.735 1.00 45.32 C ANISOU 159 CD ARG A 21 4960 6127 6133 -914 -1241 1674 C ATOM 160 NE ARG A 21 86.311 22.527 3.138 1.00 42.25 N ANISOU 160 NE ARG A 21 4569 5723 5761 -997 -1274 1703 N ATOM 161 CZ ARG A 21 86.831 21.442 2.572 1.00 36.78 C ANISOU 161 CZ ARG A 21 4010 4944 5020 -1090 -1351 1648 C ATOM 162 NH1 ARG A 21 87.692 21.558 1.570 1.00 34.37 N ANISOU 162 NH1 ARG A 21 3856 4567 4636 -1114 -1398 1555 N ATOM 163 NH2 ARG A 21 86.473 20.239 2.999 1.00 38.40 N ANISOU 163 NH2 ARG A 21 4204 5132 5254 -1153 -1380 1693 N ATOM 0 H ARG A 21 90.175 24.275 5.217 1.00 26.85 H new ATOM 0 HA ARG A 21 88.553 26.368 5.095 1.00 30.36 H new ATOM 0 HB2 ARG A 21 87.922 23.607 5.273 1.00 35.87 H new ATOM 0 HB3 ARG A 21 86.814 24.693 5.113 1.00 35.87 H new ATOM 0 HG2 ARG A 21 88.095 25.297 3.043 1.00 41.45 H new ATOM 0 HG3 ARG A 21 88.633 23.838 3.161 1.00 41.45 H new ATOM 0 HD2 ARG A 21 85.882 24.476 2.965 1.00 45.32 H new ATOM 0 HD3 ARG A 21 86.724 23.932 1.771 1.00 45.32 H new ATOM 0 HE ARG A 21 85.754 22.416 3.784 1.00 42.25 H new ATOM 0 HH11 ARG A 21 87.916 22.337 1.284 1.00 34.37 H new ATOM 0 HH12 ARG A 21 88.026 20.854 1.207 1.00 34.37 H new ATOM 0 HH21 ARG A 21 85.906 20.162 3.641 1.00 38.40 H new ATOM 0 HH22 ARG A 21 86.808 19.536 2.634 1.00 38.40 H new ATOM 164 N TYR A 22 89.091 25.248 7.928 1.00 29.50 N ANISOU 164 N TYR A 22 2675 4385 4149 -530 -742 1478 N ATOM 165 CA TYR A 22 88.695 25.220 9.333 1.00 33.20 C ANISOU 165 CA TYR A 22 3031 4952 4631 -460 -634 1499 C ATOM 166 C TYR A 22 89.669 25.898 10.265 1.00 33.30 C ANISOU 166 C TYR A 22 3014 5014 4624 -356 -516 1387 C ATOM 167 O TYR A 22 89.264 26.627 11.182 1.00 26.50 O ANISOU 167 O TYR A 22 2057 4232 3779 -251 -408 1385 O ATOM 168 CB TYR A 22 88.511 23.776 9.786 1.00 27.85 C ANISOU 168 CB TYR A 22 2372 4275 3934 -545 -667 1543 C ATOM 169 CG TYR A 22 87.496 23.029 8.970 1.00 36.67 C ANISOU 169 CG TYR A 22 3506 5343 5083 -650 -777 1649 C ATOM 170 CD1 TYR A 22 87.869 22.334 7.824 1.00 29.23 C ANISOU 170 CD1 TYR A 22 2690 4295 4121 -757 -892 1622 C ATOM 171 CD2 TYR A 22 86.156 23.015 9.345 1.00 34.53 C ANISOU 171 CD2 TYR A 22 3126 5132 4861 -642 -765 1772 C ATOM 172 CE1 TYR A 22 86.936 21.649 7.077 1.00 25.63 C ANISOU 172 CE1 TYR A 22 2250 3793 3694 -853 -994 1709 C ATOM 173 CE2 TYR A 22 85.225 22.342 8.608 1.00 35.82 C ANISOU 173 CE2 TYR A 22 3295 5252 5063 -741 -868 1869 C ATOM 174 CZ TYR A 22 85.612 21.655 7.476 1.00 36.16 C ANISOU 174 CZ TYR A 22 3463 5189 5086 -847 -985 1835 C ATOM 175 OH TYR A 22 84.661 20.971 6.750 1.00 43.49 O ANISOU 175 OH TYR A 22 4398 6074 6052 -945 -1092 1925 O ATOM 0 H TYR A 22 89.878 24.941 7.766 1.00 29.50 H new ATOM 0 HA TYR A 22 87.865 25.719 9.383 1.00 33.20 H new ATOM 0 HB2 TYR A 22 89.363 23.315 9.734 1.00 27.85 H new ATOM 0 HB3 TYR A 22 88.240 23.767 10.717 1.00 27.85 H new ATOM 0 HD1 TYR A 22 88.760 22.332 7.559 1.00 29.23 H new ATOM 0 HD2 TYR A 22 85.890 23.472 10.110 1.00 34.53 H new ATOM 0 HE1 TYR A 22 87.194 21.187 6.312 1.00 25.63 H new ATOM 0 HE2 TYR A 22 84.332 22.347 8.868 1.00 35.82 H new ATOM 0 HH TYR A 22 84.973 20.773 5.996 1.00 43.49 H new ATOM 176 N ALA A 23 90.951 25.636 10.030 1.00 29.30 N ANISOU 176 N ALA A 23 2613 4446 4075 -386 -525 1278 N ATOM 177 CA ALA A 23 92.003 25.986 10.972 1.00 28.36 C ANISOU 177 CA ALA A 23 2520 4341 3915 -306 -401 1137 C ATOM 178 C ALA A 23 92.590 27.353 10.685 1.00 19.80 C ANISOU 178 C ALA A 23 1495 3194 2836 -216 -315 1017 C ATOM 179 O ALA A 23 92.560 27.820 9.551 1.00 22.66 O ANISOU 179 O ALA A 23 1930 3467 3212 -237 -358 1021 O ATOM 180 CB ALA A 23 93.095 24.926 10.942 1.00 37.38 C ANISOU 180 CB ALA A 23 3779 5420 5004 -378 -432 1060 C ATOM 0 H ALA A 23 91.234 25.249 9.316 1.00 29.30 H new ATOM 0 HA ALA A 23 91.608 26.022 11.857 1.00 28.36 H new ATOM 0 HB1 ALA A 23 93.794 25.163 11.571 1.00 37.38 H new ATOM 0 HB2 ALA A 23 92.718 24.066 11.187 1.00 37.38 H new ATOM 0 HB3 ALA A 23 93.469 24.872 10.049 1.00 37.38 H new ATOM 181 N ASP A 24 93.101 27.989 11.731 1.00 17.41 N ANISOU 181 N ASP A 24 1157 2937 2521 -118 -195 915 N ATOM 182 CA ASP A 24 93.736 29.297 11.639 1.00 23.38 C ANISOU 182 CA ASP A 24 1960 3628 3293 -31 -104 788 C ATOM 183 C ASP A 24 95.191 29.167 11.219 1.00 27.33 C ANISOU 183 C ASP A 24 2610 4019 3756 -67 -94 648 C ATOM 184 O ASP A 24 95.800 30.121 10.725 1.00 26.48 O ANISOU 184 O ASP A 24 2571 3820 3670 -30 -45 557 O ATOM 185 CB ASP A 24 93.629 30.020 12.981 1.00 21.28 C ANISOU 185 CB ASP A 24 1592 3461 3031 87 13 728 C ATOM 186 CG ASP A 24 92.183 30.157 13.440 1.00 19.43 C ANISOU 186 CG ASP A 24 1200 3344 2838 133 21 869 C ATOM 187 OD1 ASP A 24 91.350 30.594 12.626 1.00 27.40 O ANISOU 187 OD1 ASP A 24 2178 4323 3910 131 -22 964 O ATOM 188 OD2 ASP A 24 91.877 29.788 14.586 1.00 32.96 O ANISOU 188 OD2 ASP A 24 2819 5184 4520 168 68 893 O ATOM 0 H ASP A 24 93.088 27.667 12.528 1.00 17.41 H new ATOM 0 HA ASP A 24 93.276 29.817 10.961 1.00 23.38 H new ATOM 0 HB2 ASP A 24 94.136 29.534 13.651 1.00 21.28 H new ATOM 0 HB3 ASP A 24 94.029 30.901 12.906 1.00 21.28 H new ATOM 189 N ALA A 25 95.746 27.983 11.445 1.00 24.64 N ANISOU 189 N ALA A 25 2310 3685 3366 -135 -136 637 N ATOM 190 CA ALA A 25 97.107 27.666 11.010 1.00 17.84 C ANISOU 190 CA ALA A 25 1583 2722 2474 -176 -133 518 C ATOM 191 C ALA A 25 97.240 26.165 10.814 1.00 22.48 C ANISOU 191 C ALA A 25 2214 3300 3028 -276 -223 570 C ATOM 192 O ALA A 25 96.430 25.383 11.310 1.00 18.76 O ANISOU 192 O ALA A 25 1659 2912 2556 -306 -272 682 O ATOM 193 CB ALA A 25 98.138 28.160 12.027 1.00 21.84 C ANISOU 193 CB ALA A 25 2083 3247 2966 -101 -33 372 C ATOM 0 H ALA A 25 95.348 27.340 11.854 1.00 24.64 H new ATOM 0 HA ALA A 25 97.277 28.119 10.169 1.00 17.84 H new ATOM 0 HB1 ALA A 25 99.030 27.939 11.717 1.00 21.84 H new ATOM 0 HB2 ALA A 25 98.060 29.122 12.126 1.00 21.84 H new ATOM 0 HB3 ALA A 25 97.978 27.733 12.883 1.00 21.84 H new ATOM 194 N THR A 26 98.274 25.756 10.101 1.00 16.22 N ANISOU 194 N THR A 26 1549 2400 2212 -325 -239 491 N ATOM 195 CA THR A 26 98.560 24.348 9.980 1.00 17.04 C ANISOU 195 CA THR A 26 1704 2480 2292 -409 -312 516 C ATOM 196 C THR A 26 100.074 24.168 10.076 1.00 17.64 C ANISOU 196 C THR A 26 1867 2486 2349 -399 -259 376 C ATOM 197 O THR A 26 100.803 25.097 10.419 1.00 13.63 O ANISOU 197 O THR A 26 1357 1970 1849 -330 -170 269 O ATOM 198 CB THR A 26 97.990 23.764 8.662 1.00 14.31 C ANISOU 198 CB THR A 26 1435 2061 1941 -505 -423 595 C ATOM 199 OG1 THR A 26 98.161 22.336 8.662 1.00 24.02 O ANISOU 199 OG1 THR A 26 2704 3266 3159 -585 -498 622 O ATOM 200 CG2 THR A 26 98.654 24.399 7.432 1.00 14.06 C ANISOU 200 CG2 THR A 26 1536 1915 1890 -509 -403 515 C ATOM 0 H THR A 26 98.817 26.276 9.683 1.00 16.22 H new ATOM 0 HA THR A 26 98.127 23.857 10.696 1.00 17.04 H new ATOM 0 HB THR A 26 97.044 23.972 8.612 1.00 14.31 H new ATOM 0 HG1 THR A 26 97.567 21.982 9.139 1.00 24.02 H new ATOM 0 HG21 THR A 26 98.277 24.014 6.626 1.00 14.06 H new ATOM 0 HG22 THR A 26 98.496 25.356 7.437 1.00 14.06 H new ATOM 0 HG23 THR A 26 99.609 24.229 7.455 1.00 14.06 H new ATOM 201 N GLY A 27 100.552 22.967 9.811 1.00 18.48 N ANISOU 201 N GLY A 27 2041 2539 2440 -467 -314 375 N ATOM 202 CA GLY A 27 101.966 22.717 9.984 1.00 16.21 C ANISOU 202 CA GLY A 27 1818 2194 2147 -452 -264 253 C ATOM 203 C GLY A 27 102.418 21.550 9.144 1.00 12.52 C ANISOU 203 C GLY A 27 1462 1625 1669 -531 -327 248 C ATOM 204 O GLY A 27 101.669 20.601 8.925 1.00 16.54 O ANISOU 204 O GLY A 27 1973 2134 2179 -600 -419 344 O ATOM 0 H GLY A 27 100.087 22.298 9.536 1.00 18.48 H new ATOM 0 HA2 GLY A 27 102.470 23.509 9.740 1.00 16.21 H new ATOM 0 HA3 GLY A 27 102.154 22.538 10.919 1.00 16.21 H new ATOM 205 N VAL A 28 103.660 21.625 8.692 1.00 16.49 N ANISOU 205 N VAL A 28 2056 2039 2171 -520 -275 131 N ATOM 206 CA VAL A 28 104.258 20.527 7.966 1.00 14.32 C ANISOU 206 CA VAL A 28 1891 1662 1888 -579 -315 104 C ATOM 207 C VAL A 28 105.543 20.142 8.710 1.00 14.23 C ANISOU 207 C VAL A 28 1869 1638 1899 -540 -259 15 C ATOM 208 O VAL A 28 106.314 20.998 9.138 1.00 15.79 O ANISOU 208 O VAL A 28 2036 1853 2112 -477 -176 -70 O ATOM 209 CB VAL A 28 104.503 20.908 6.482 1.00 25.15 C ANISOU 209 CB VAL A 28 3395 2930 3230 -607 -304 57 C ATOM 210 CG1 VAL A 28 105.552 22.018 6.344 1.00 24.54 C ANISOU 210 CG1 VAL A 28 3339 2820 3165 -545 -188 -53 C ATOM 211 CG2 VAL A 28 104.899 19.714 5.703 1.00 20.53 C ANISOU 211 CG2 VAL A 28 2926 2247 2626 -670 -354 35 C ATOM 0 H VAL A 28 104.173 22.307 8.797 1.00 16.49 H new ATOM 0 HA VAL A 28 103.666 19.760 7.935 1.00 14.32 H new ATOM 0 HB VAL A 28 103.670 21.253 6.125 1.00 25.15 H new ATOM 0 HG11 VAL A 28 105.679 22.229 5.406 1.00 24.54 H new ATOM 0 HG12 VAL A 28 105.249 22.810 6.815 1.00 24.54 H new ATOM 0 HG13 VAL A 28 106.393 21.718 6.724 1.00 24.54 H new ATOM 0 HG21 VAL A 28 105.049 19.966 4.778 1.00 20.53 H new ATOM 0 HG22 VAL A 28 105.715 19.342 6.073 1.00 20.53 H new ATOM 0 HG23 VAL A 28 104.193 19.050 5.747 1.00 20.53 H new ATOM 212 N VAL A 29 105.715 18.849 8.943 1.00 12.76 N ANISOU 212 N VAL A 29 1697 1427 1726 -577 -314 45 N ATOM 213 CA VAL A 29 106.768 18.366 9.827 1.00 11.83 C ANISOU 213 CA VAL A 29 1545 1316 1635 -538 -280 -8 C ATOM 214 C VAL A 29 107.943 17.997 8.950 1.00 15.22 C ANISOU 214 C VAL A 29 2087 1615 2079 -545 -244 -109 C ATOM 215 O VAL A 29 107.739 17.397 7.897 1.00 13.55 O ANISOU 215 O VAL A 29 1981 1314 1855 -602 -287 -102 O ATOM 216 CB VAL A 29 106.303 17.149 10.655 1.00 16.89 C ANISOU 216 CB VAL A 29 2126 2000 2290 -567 -355 96 C ATOM 217 CG1 VAL A 29 107.461 16.567 11.446 1.00 13.73 C ANISOU 217 CG1 VAL A 29 1704 1595 1919 -527 -329 48 C ATOM 218 CG2 VAL A 29 105.135 17.532 11.575 1.00 17.07 C ANISOU 218 CG2 VAL A 29 2027 2165 2295 -554 -375 204 C ATOM 0 H VAL A 29 105.229 18.230 8.597 1.00 12.76 H new ATOM 0 HA VAL A 29 107.010 19.055 10.466 1.00 11.83 H new ATOM 0 HB VAL A 29 105.986 16.465 10.045 1.00 16.89 H new ATOM 0 HG11 VAL A 29 107.152 15.805 11.960 1.00 13.73 H new ATOM 0 HG12 VAL A 29 108.160 16.283 10.836 1.00 13.73 H new ATOM 0 HG13 VAL A 29 107.813 17.241 12.049 1.00 13.73 H new ATOM 0 HG21 VAL A 29 104.857 16.756 12.086 1.00 17.07 H new ATOM 0 HG22 VAL A 29 105.418 18.234 12.182 1.00 17.07 H new ATOM 0 HG23 VAL A 29 104.391 17.849 11.039 1.00 17.07 H new ATOM 219 N VAL A 30 109.144 18.397 9.364 1.00 21.01 N ANISOU 219 N VAL A 30 2799 2344 2840 -487 -166 -207 N ATOM 220 CA VAL A 30 110.391 18.085 8.656 1.00 11.46 C ANISOU 220 CA VAL A 30 1675 1022 1658 -481 -114 -305 C ATOM 221 C VAL A 30 111.464 17.696 9.645 1.00 16.12 C ANISOU 221 C VAL A 30 2197 1631 2298 -432 -89 -349 C ATOM 222 O VAL A 30 111.416 18.116 10.795 1.00 18.67 O ANISOU 222 O VAL A 30 2412 2060 2620 -392 -88 -336 O ATOM 223 CB VAL A 30 110.914 19.295 7.836 1.00 11.24 C ANISOU 223 CB VAL A 30 1695 951 1624 -459 -22 -392 C ATOM 224 CG1 VAL A 30 109.996 19.571 6.666 1.00 13.42 C ANISOU 224 CG1 VAL A 30 2062 1192 1847 -508 -49 -349 C ATOM 225 CG2 VAL A 30 111.057 20.513 8.726 1.00 23.70 C ANISOU 225 CG2 VAL A 30 3168 2617 3220 -403 29 -424 C ATOM 0 H VAL A 30 109.262 18.865 10.076 1.00 21.01 H new ATOM 0 HA VAL A 30 110.194 17.354 8.050 1.00 11.46 H new ATOM 0 HB VAL A 30 111.792 19.081 7.483 1.00 11.24 H new ATOM 0 HG11 VAL A 30 110.333 20.328 6.162 1.00 13.42 H new ATOM 0 HG12 VAL A 30 109.960 18.790 6.091 1.00 13.42 H new ATOM 0 HG13 VAL A 30 109.105 19.772 6.994 1.00 13.42 H new ATOM 0 HG21 VAL A 30 111.384 21.261 8.202 1.00 23.70 H new ATOM 0 HG22 VAL A 30 110.194 20.739 9.107 1.00 23.70 H new ATOM 0 HG23 VAL A 30 111.685 20.320 9.440 1.00 23.70 H new ATOM 226 N ASN A 31 112.442 16.915 9.184 1.00 15.59 N ANISOU 226 N ASN A 31 2193 1463 2269 -431 -69 -404 N ATOM 227 CA ASN A 31 113.634 16.598 9.979 1.00 16.58 C ANISOU 227 CA ASN A 31 2254 1593 2454 -380 -39 -453 C ATOM 228 C ASN A 31 113.300 16.264 11.442 1.00 20.08 C ANISOU 228 C ASN A 31 2581 2155 2894 -358 -100 -377 C ATOM 229 O ASN A 31 113.961 16.743 12.358 1.00 22.92 O ANISOU 229 O ASN A 31 2852 2586 3269 -306 -75 -418 O ATOM 230 CB ASN A 31 114.649 17.754 9.937 1.00 17.08 C ANISOU 230 CB ASN A 31 2287 1657 2545 -333 58 -562 C ATOM 231 CG ASN A 31 115.170 18.042 8.531 1.00 15.63 C ANISOU 231 CG ASN A 31 2202 1405 2333 -317 115 -580 C ATOM 232 OD1 ASN A 31 115.100 17.198 7.643 1.00 27.59 O ANISOU 232 OD1 ASN A 31 3806 2854 3824 -332 88 -553 O ATOM 233 ND2 ASN A 31 115.718 19.250 8.332 1.00 23.09 N ANISOU 233 ND2 ASN A 31 3115 2385 3272 -277 182 -608 N ATOM 0 H ASN A 31 112.435 16.554 8.403 1.00 15.59 H new ATOM 0 HA ASN A 31 114.024 15.807 9.575 1.00 16.58 H new ATOM 0 HB2 ASN A 31 114.234 18.555 10.293 1.00 17.08 H new ATOM 0 HB3 ASN A 31 115.397 17.541 10.516 1.00 17.08 H new ATOM 0 HD21 ASN A 31 116.036 19.456 7.560 1.00 23.09 H new ATOM 0 HD22 ASN A 31 115.751 19.819 8.976 1.00 23.09 H new ATOM 234 N SER A 32 112.260 15.454 11.646 1.00 24.85 N ANISOU 234 N SER A 32 3185 2781 3475 -401 -182 -263 N ATOM 235 CA SER A 32 111.824 15.079 12.990 1.00 16.81 C ANISOU 235 CA SER A 32 2061 1882 2444 -385 -236 -168 C ATOM 236 C SER A 32 111.523 13.590 13.108 1.00 17.17 C ANISOU 236 C SER A 32 2124 1877 2522 -425 -314 -67 C ATOM 237 O SER A 32 111.394 12.881 12.112 1.00 18.20 O ANISOU 237 O SER A 32 2354 1884 2678 -475 -338 -67 O ATOM 238 CB SER A 32 110.568 15.865 13.398 1.00 24.95 C ANISOU 238 CB SER A 32 3034 3033 3413 -393 -250 -102 C ATOM 239 OG SER A 32 110.731 17.260 13.245 1.00 22.61 O ANISOU 239 OG SER A 32 2726 2769 3097 -358 -181 -190 O ATOM 0 H SER A 32 111.791 15.109 11.013 1.00 24.85 H new ATOM 0 HA SER A 32 112.561 15.294 13.583 1.00 16.81 H new ATOM 0 HB2 SER A 32 109.816 15.569 12.861 1.00 24.95 H new ATOM 0 HB3 SER A 32 110.352 15.667 14.323 1.00 24.95 H new ATOM 0 HG SER A 32 110.891 17.437 12.440 1.00 22.61 H new ATOM 240 N ARG A 33 111.379 13.115 14.335 1.00 13.12 N ANISOU 240 N ARG A 33 1519 1461 2006 -404 -354 22 N ATOM 241 CA ARG A 33 110.840 11.775 14.504 1.00 20.21 C ANISOU 241 CA ARG A 33 2423 2320 2937 -451 -433 147 C ATOM 242 C ARG A 33 109.307 11.840 14.531 1.00 25.12 C ANISOU 242 C ARG A 33 3019 3008 3517 -509 -481 263 C ATOM 243 O ARG A 33 108.706 12.119 15.571 1.00 29.19 O ANISOU 243 O ARG A 33 3433 3668 3988 -489 -488 347 O ATOM 244 CB ARG A 33 111.398 11.138 15.769 1.00 22.64 C ANISOU 244 CB ARG A 33 2644 2694 3263 -405 -456 209 C ATOM 245 CG ARG A 33 112.918 10.993 15.746 1.00 22.90 C ANISOU 245 CG ARG A 33 2689 2659 3354 -348 -418 105 C ATOM 246 CD ARG A 33 113.464 10.936 17.176 1.00 24.94 C ANISOU 246 CD ARG A 33 2835 3044 3596 -284 -432 147 C ATOM 247 NE ARG A 33 114.893 10.621 17.239 1.00 27.19 N ANISOU 247 NE ARG A 33 3115 3264 3952 -231 -414 73 N ATOM 248 CZ ARG A 33 115.578 10.565 18.375 1.00 26.75 C ANISOU 248 CZ ARG A 33 2968 3306 3891 -172 -432 93 C ATOM 249 NH1 ARG A 33 114.959 10.813 19.524 1.00 32.48 N ANISOU 249 NH1 ARG A 33 3613 4200 4529 -158 -463 178 N ATOM 250 NH2 ARG A 33 116.869 10.262 18.369 1.00 19.64 N ANISOU 250 NH2 ARG A 33 2054 2341 3067 -125 -420 30 N ATOM 0 H ARG A 33 111.579 13.533 15.059 1.00 13.12 H new ATOM 0 HA ARG A 33 111.107 11.218 13.756 1.00 20.21 H new ATOM 0 HB2 ARG A 33 111.141 11.675 16.535 1.00 22.64 H new ATOM 0 HB3 ARG A 33 110.997 10.263 15.888 1.00 22.64 H new ATOM 0 HG2 ARG A 33 113.166 10.188 15.265 1.00 22.90 H new ATOM 0 HG3 ARG A 33 113.314 11.740 15.271 1.00 22.90 H new ATOM 0 HD2 ARG A 33 113.308 11.790 17.609 1.00 24.94 H new ATOM 0 HD3 ARG A 33 112.970 10.269 17.678 1.00 24.94 H new ATOM 0 HE ARG A 33 115.309 10.464 16.503 1.00 27.19 H new ATOM 0 HH11 ARG A 33 114.121 11.008 19.528 1.00 32.48 H new ATOM 0 HH12 ARG A 33 115.396 10.779 20.264 1.00 32.48 H new ATOM 0 HH21 ARG A 33 117.269 10.100 17.625 1.00 19.64 H new ATOM 0 HH22 ARG A 33 117.306 10.228 19.109 1.00 19.64 H new ATOM 251 N SER A 34 108.689 11.583 13.377 1.00 21.84 N ANISOU 251 N SER A 34 2694 2489 3115 -579 -515 266 N ATOM 252 CA SER A 34 107.260 11.789 13.184 1.00 21.34 C ANISOU 252 CA SER A 34 2609 2478 3020 -638 -561 361 C ATOM 253 C SER A 34 106.732 11.024 11.985 1.00 23.54 C ANISOU 253 C SER A 34 2994 2618 3331 -727 -630 377 C ATOM 254 O SER A 34 107.359 11.005 10.922 1.00 23.92 O ANISOU 254 O SER A 34 3158 2545 3385 -734 -610 266 O ATOM 255 CB SER A 34 106.944 13.279 12.997 1.00 16.64 C ANISOU 255 CB SER A 34 1992 1967 2364 -605 -501 302 C ATOM 256 OG SER A 34 105.578 13.453 12.672 1.00 24.00 O ANISOU 256 OG SER A 34 2906 2936 3278 -661 -549 395 O ATOM 0 H SER A 34 109.094 11.282 12.681 1.00 21.84 H new ATOM 0 HA SER A 34 106.822 11.456 13.983 1.00 21.34 H new ATOM 0 HB2 SER A 34 107.154 13.765 13.810 1.00 16.64 H new ATOM 0 HB3 SER A 34 107.500 13.648 12.293 1.00 16.64 H new ATOM 0 HG SER A 34 105.152 13.677 13.361 1.00 24.00 H new ATOM 257 N LYS A 35 105.567 10.408 12.166 1.00 15.76 N ANISOU 257 N LYS A 35 1878 2294 1817 -367 78 -70 N ATOM 258 CA LYS A 35 104.860 9.717 11.097 1.00 14.89 C ANISOU 258 CA LYS A 35 1943 1985 1729 -341 211 -168 C ATOM 259 C LYS A 35 104.465 10.710 10.023 1.00 21.07 C ANISOU 259 C LYS A 35 2752 2749 2504 -390 181 -329 C ATOM 260 O LYS A 35 104.176 10.335 8.887 1.00 24.58 O ANISOU 260 O LYS A 35 3355 3052 2933 -401 259 -391 O ATOM 261 CB LYS A 35 103.608 9.028 11.642 1.00 18.70 C ANISOU 261 CB LYS A 35 2525 2441 2137 -447 213 -228 C ATOM 262 CG LYS A 35 103.863 8.052 12.758 1.00 30.97 C ANISOU 262 CG LYS A 35 4076 4012 3679 -415 241 -53 C ATOM 263 CD LYS A 35 102.567 7.421 13.225 1.00 35.12 C ANISOU 263 CD LYS A 35 4700 4503 4139 -540 266 -114 C ATOM 264 CE LYS A 35 101.639 8.467 13.753 1.00 37.47 C ANISOU 264 CE LYS A 35 4913 4957 4367 -657 185 -248 C ATOM 265 NZ LYS A 35 100.762 7.902 14.810 1.00 47.45 N ANISOU 265 NZ LYS A 35 6206 6261 5563 -749 229 -212 N ATOM 0 H LYS A 35 105.161 10.380 12.924 1.00 15.76 H new ATOM 0 HA LYS A 35 105.448 9.044 10.719 1.00 14.89 H new ATOM 0 HB2 LYS A 35 102.991 9.707 11.957 1.00 18.70 H new ATOM 0 HB3 LYS A 35 103.168 8.561 10.915 1.00 18.70 H new ATOM 0 HG2 LYS A 35 104.474 7.362 12.457 1.00 30.97 H new ATOM 0 HG3 LYS A 35 104.292 8.507 13.500 1.00 30.97 H new ATOM 0 HD2 LYS A 35 102.147 6.949 12.489 1.00 35.12 H new ATOM 0 HD3 LYS A 35 102.750 6.765 13.915 1.00 35.12 H new ATOM 0 HE2 LYS A 35 102.150 9.209 14.112 1.00 37.47 H new ATOM 0 HE3 LYS A 35 101.097 8.820 13.030 1.00 37.47 H new ATOM 0 HZ1 LYS A 35 100.216 8.536 15.114 1.00 47.45 H new ATOM 0 HZ2 LYS A 35 100.281 7.234 14.471 1.00 47.45 H new ATOM 0 HZ3 LYS A 35 101.263 7.596 15.479 1.00 47.45 H new ATOM 266 N ARG A 36 104.457 11.988 10.396 1.00 19.76 N ANISOU 266 N ARG A 36 2464 2714 2331 -441 73 -388 N ATOM 267 CA ARG A 36 104.030 13.050 9.496 1.00 18.99 C ANISOU 267 CA ARG A 36 2365 2598 2252 -471 44 -498 C ATOM 268 C ARG A 36 105.194 13.784 8.823 1.00 15.08 C ANISOU 268 C ARG A 36 1813 2099 1819 -411 58 -453 C ATOM 269 O ARG A 36 104.978 14.751 8.110 1.00 19.39 O ANISOU 269 O ARG A 36 2356 2626 2384 -431 37 -514 O ATOM 270 CB ARG A 36 103.163 14.059 10.248 1.00 27.71 C ANISOU 270 CB ARG A 36 3405 3777 3348 -546 -6 -590 C ATOM 271 CG ARG A 36 102.056 13.430 11.080 1.00 22.47 C ANISOU 271 CG ARG A 36 2757 3136 2643 -601 19 -607 C ATOM 272 CD ARG A 36 101.129 12.573 10.239 1.00 27.06 C ANISOU 272 CD ARG A 36 3392 3649 3242 -641 18 -592 C ATOM 273 NE ARG A 36 100.362 13.363 9.275 1.00 35.87 N ANISOU 273 NE ARG A 36 4447 4761 4422 -670 -36 -605 N ATOM 274 CZ ARG A 36 99.402 12.860 8.506 1.00 36.42 C ANISOU 274 CZ ARG A 36 4532 4818 4487 -779 -104 -564 C ATOM 275 NH1 ARG A 36 99.106 11.569 8.587 1.00 37.19 N ANISOU 275 NH1 ARG A 36 4746 4870 4516 -878 -96 -554 N ATOM 276 NH2 ARG A 36 98.738 13.641 7.658 1.00 40.76 N ANISOU 276 NH2 ARG A 36 4984 5402 5099 -813 -194 -508 N ATOM 0 H ARG A 36 104.698 12.261 11.175 1.00 19.76 H new ATOM 0 HA ARG A 36 103.520 12.620 8.792 1.00 18.99 H new ATOM 0 HB2 ARG A 36 103.731 14.588 10.830 1.00 27.71 H new ATOM 0 HB3 ARG A 36 102.766 14.670 9.608 1.00 27.71 H new ATOM 0 HG2 ARG A 36 102.449 12.887 11.782 1.00 22.47 H new ATOM 0 HG3 ARG A 36 101.543 14.129 11.515 1.00 22.47 H new ATOM 0 HD2 ARG A 36 101.650 11.906 9.765 1.00 27.06 H new ATOM 0 HD3 ARG A 36 100.518 12.095 10.821 1.00 27.06 H new ATOM 0 HE ARG A 36 100.543 14.201 9.202 1.00 35.87 H new ATOM 0 HH11 ARG A 36 99.535 11.063 9.135 1.00 37.19 H new ATOM 0 HH12 ARG A 36 98.486 11.238 8.092 1.00 37.19 H new ATOM 0 HH21 ARG A 36 98.929 14.478 7.605 1.00 40.76 H new ATOM 0 HH22 ARG A 36 98.118 13.309 7.163 1.00 40.76 H new ATOM 277 N LYS A 37 106.421 13.332 9.038 1.00 14.85 N ANISOU 277 N LYS A 37 1709 2088 1846 -332 103 -305 N ATOM 278 CA LYS A 37 107.545 13.985 8.388 1.00 16.18 C ANISOU 278 CA LYS A 37 1781 2261 2106 -280 140 -223 C ATOM 279 C LYS A 37 107.391 13.945 6.871 1.00 17.56 C ANISOU 279 C LYS A 37 2115 2286 2269 -227 276 -282 C ATOM 280 O LYS A 37 106.985 12.934 6.292 1.00 16.03 O ANISOU 280 O LYS A 37 2117 1960 2015 -199 394 -313 O ATOM 281 CB LYS A 37 108.870 13.340 8.807 1.00 19.38 C ANISOU 281 CB LYS A 37 2018 2717 2630 -177 192 28 C ATOM 282 CG LYS A 37 110.086 14.160 8.385 1.00 30.77 C ANISOU 282 CG LYS A 37 3270 4219 4200 -162 200 161 C ATOM 283 CD LYS A 37 111.168 13.286 7.770 1.00 40.11 C ANISOU 283 CD LYS A 37 4361 5311 5566 52 442 405 C ATOM 284 CE LYS A 37 111.877 12.467 8.834 1.00 43.87 C ANISOU 284 CE LYS A 37 4610 5901 6159 121 394 705 C ATOM 285 NZ LYS A 37 113.153 11.870 8.350 1.00 40.16 N ANISOU 285 NZ LYS A 37 3930 5369 5961 357 646 1039 N ATOM 0 H LYS A 37 106.622 12.666 9.543 1.00 14.85 H new ATOM 0 HA LYS A 37 107.555 14.913 8.671 1.00 16.18 H new ATOM 0 HB2 LYS A 37 108.880 13.227 9.770 1.00 19.38 H new ATOM 0 HB3 LYS A 37 108.931 12.454 8.417 1.00 19.38 H new ATOM 0 HG2 LYS A 37 109.814 14.837 7.746 1.00 30.77 H new ATOM 0 HG3 LYS A 37 110.446 14.626 9.156 1.00 30.77 H new ATOM 0 HD2 LYS A 37 110.774 12.694 7.111 1.00 40.11 H new ATOM 0 HD3 LYS A 37 111.811 13.842 7.303 1.00 40.11 H new ATOM 0 HE2 LYS A 37 112.060 13.031 9.602 1.00 43.87 H new ATOM 0 HE3 LYS A 37 111.288 11.758 9.136 1.00 43.87 H new ATOM 0 HZ1 LYS A 37 113.565 11.463 9.025 1.00 40.16 H new ATOM 0 HZ2 LYS A 37 112.980 11.278 7.708 1.00 40.16 H new ATOM 0 HZ3 LYS A 37 113.678 12.512 8.027 1.00 40.16 H new ATOM 286 N VAL A 38 107.694 15.063 6.222 1.00 16.22 N ANISOU 286 N VAL A 38 1905 2129 2130 -251 259 -303 N ATOM 287 CA VAL A 38 107.841 15.058 4.770 1.00 13.89 C ANISOU 287 CA VAL A 38 1769 1711 1796 -211 401 -312 C ATOM 288 C VAL A 38 109.246 15.566 4.429 1.00 15.09 C ANISOU 288 C VAL A 38 1773 1876 2084 -131 517 -167 C ATOM 289 O VAL A 38 109.876 16.236 5.234 1.00 15.58 O ANISOU 289 O VAL A 38 1604 2063 2252 -173 406 -86 O ATOM 290 CB VAL A 38 106.791 15.940 4.070 1.00 19.34 C ANISOU 290 CB VAL A 38 2552 2400 2396 -316 285 -416 C ATOM 291 CG1 VAL A 38 105.369 15.491 4.448 1.00 23.47 C ANISOU 291 CG1 VAL A 38 3135 2944 2838 -406 161 -499 C ATOM 292 CG2 VAL A 38 107.025 17.410 4.397 1.00 16.84 C ANISOU 292 CG2 VAL A 38 2068 2150 2181 -348 192 -409 C ATOM 0 H VAL A 38 107.818 15.827 6.597 1.00 16.22 H new ATOM 0 HA VAL A 38 107.707 14.151 4.453 1.00 13.89 H new ATOM 0 HB VAL A 38 106.884 15.835 3.110 1.00 19.34 H new ATOM 0 HG11 VAL A 38 104.721 16.056 3.999 1.00 23.47 H new ATOM 0 HG12 VAL A 38 105.237 14.569 4.176 1.00 23.47 H new ATOM 0 HG13 VAL A 38 105.251 15.564 5.408 1.00 23.47 H new ATOM 0 HG21 VAL A 38 106.356 17.952 3.949 1.00 16.84 H new ATOM 0 HG22 VAL A 38 106.959 17.543 5.356 1.00 16.84 H new ATOM 0 HG23 VAL A 38 107.909 17.672 4.095 1.00 16.84 H new ATOM 293 N PRO A 39 109.744 15.237 3.236 1.00 17.37 N ANISOU 293 N PRO A 39 2212 2033 2354 -47 752 -126 N ATOM 294 CA PRO A 39 111.034 15.815 2.832 1.00 26.07 C ANISOU 294 CA PRO A 39 3143 3151 3612 28 893 37 C ATOM 295 C PRO A 39 110.948 17.335 2.622 1.00 24.07 C ANISOU 295 C PRO A 39 2811 2972 3363 -99 733 -4 C ATOM 296 O PRO A 39 109.862 17.867 2.383 1.00 25.22 O ANISOU 296 O PRO A 39 3095 3105 3380 -196 592 -145 O ATOM 297 CB PRO A 39 111.353 15.090 1.529 1.00 23.57 C ANISOU 297 CB PRO A 39 3102 2633 3221 137 1241 46 C ATOM 298 CG PRO A 39 110.060 14.604 1.032 1.00 19.38 C ANISOU 298 CG PRO A 39 2930 2011 2423 17 1178 -159 C ATOM 299 CD PRO A 39 109.175 14.347 2.220 1.00 16.97 C ANISOU 299 CD PRO A 39 2520 1808 2120 -54 916 -226 C ATOM 0 HA PRO A 39 111.719 15.701 3.509 1.00 26.07 H new ATOM 0 HB2 PRO A 39 111.772 15.687 0.890 1.00 23.57 H new ATOM 0 HB3 PRO A 39 111.969 14.356 1.678 1.00 23.57 H new ATOM 0 HG2 PRO A 39 109.655 15.259 0.442 1.00 19.38 H new ATOM 0 HG3 PRO A 39 110.179 13.792 0.515 1.00 19.38 H new ATOM 0 HD2 PRO A 39 108.247 14.559 2.032 1.00 16.97 H new ATOM 0 HD3 PRO A 39 109.203 13.418 2.497 1.00 16.97 H new ATOM 300 N LEU A 40 112.077 18.027 2.718 1.00 27.31 N ANISOU 300 N LEU A 40 2982 3450 3946 -103 763 153 N ATOM 301 CA LEU A 40 112.092 19.488 2.631 1.00 21.14 C ANISOU 301 CA LEU A 40 2137 2703 3193 -244 631 122 C ATOM 302 C LEU A 40 111.418 20.011 1.360 1.00 19.33 C ANISOU 302 C LEU A 40 2159 2358 2827 -251 696 37 C ATOM 303 O LEU A 40 110.631 20.945 1.419 1.00 20.12 O ANISOU 303 O LEU A 40 2305 2447 2892 -343 541 -50 O ATOM 304 CB LEU A 40 113.536 20.011 2.720 1.00 27.40 C ANISOU 304 CB LEU A 40 2641 3574 4196 -275 688 342 C ATOM 305 CG LEU A 40 114.135 19.930 4.129 1.00 23.36 C ANISOU 305 CG LEU A 40 1842 3240 3793 -386 486 460 C ATOM 306 CD1 LEU A 40 115.623 20.299 4.146 1.00 25.35 C ANISOU 306 CD1 LEU A 40 1744 3608 4279 -442 519 757 C ATOM 307 CD2 LEU A 40 113.351 20.822 5.090 1.00 22.98 C ANISOU 307 CD2 LEU A 40 1880 3226 3625 -611 218 256 C ATOM 0 H LEU A 40 112.851 17.670 2.834 1.00 27.31 H new ATOM 0 HA LEU A 40 111.577 19.822 3.383 1.00 21.14 H new ATOM 0 HB2 LEU A 40 114.094 19.503 2.110 1.00 27.40 H new ATOM 0 HB3 LEU A 40 113.556 20.934 2.421 1.00 27.40 H new ATOM 0 HG LEU A 40 114.065 19.008 4.422 1.00 23.36 H new ATOM 0 HD11 LEU A 40 115.962 20.235 5.053 1.00 25.35 H new ATOM 0 HD12 LEU A 40 116.114 19.689 3.574 1.00 25.35 H new ATOM 0 HD13 LEU A 40 115.735 21.206 3.822 1.00 25.35 H new ATOM 0 HD21 LEU A 40 113.739 20.762 5.977 1.00 22.98 H new ATOM 0 HD22 LEU A 40 113.389 21.741 4.782 1.00 22.98 H new ATOM 0 HD23 LEU A 40 112.427 20.530 5.122 1.00 22.98 H new ATOM 308 N LYS A 41 111.695 19.392 0.215 1.00 18.49 N ANISOU 308 N LYS A 41 2237 2156 2633 -157 940 82 N ATOM 309 CA LYS A 41 111.093 19.834 -1.034 1.00 21.03 C ANISOU 309 CA LYS A 41 2829 2399 2764 -210 971 37 C ATOM 310 C LYS A 41 109.566 19.736 -0.987 1.00 17.56 C ANISOU 310 C LYS A 41 2548 1975 2150 -301 737 -95 C ATOM 311 O LYS A 41 108.864 20.613 -1.474 1.00 23.65 O ANISOU 311 O LYS A 41 3371 2752 2863 -376 601 -79 O ATOM 312 CB LYS A 41 111.624 19.013 -2.208 1.00 28.23 C ANISOU 312 CB LYS A 41 4004 3186 3537 -133 1309 75 C ATOM 313 CG LYS A 41 111.120 19.483 -3.554 1.00 32.84 C ANISOU 313 CG LYS A 41 4905 3714 3859 -239 1330 58 C ATOM 314 CD LYS A 41 111.975 20.581 -4.145 1.00 39.99 C ANISOU 314 CD LYS A 41 5712 4614 4870 -233 1454 205 C ATOM 315 CE LYS A 41 111.473 20.940 -5.532 1.00 41.87 C ANISOU 315 CE LYS A 41 6307 4804 4798 -347 1480 220 C ATOM 316 NZ LYS A 41 111.195 19.694 -6.316 1.00 46.30 N ANISOU 316 NZ LYS A 41 7307 5262 5023 -391 1669 113 N ATOM 0 H LYS A 41 112.225 18.719 0.142 1.00 18.49 H new ATOM 0 HA LYS A 41 111.336 20.765 -1.158 1.00 21.03 H new ATOM 0 HB2 LYS A 41 112.593 19.047 -2.204 1.00 28.23 H new ATOM 0 HB3 LYS A 41 111.372 18.085 -2.083 1.00 28.23 H new ATOM 0 HG2 LYS A 41 111.096 18.731 -4.167 1.00 32.84 H new ATOM 0 HG3 LYS A 41 110.209 19.802 -3.461 1.00 32.84 H new ATOM 0 HD2 LYS A 41 111.952 21.363 -3.572 1.00 39.99 H new ATOM 0 HD3 LYS A 41 112.900 20.291 -4.192 1.00 39.99 H new ATOM 0 HE2 LYS A 41 110.667 21.475 -5.464 1.00 41.87 H new ATOM 0 HE3 LYS A 41 112.133 21.480 -5.993 1.00 41.87 H new ATOM 0 HZ1 LYS A 41 111.186 19.886 -7.185 1.00 46.30 H new ATOM 0 HZ2 LYS A 41 111.830 19.092 -6.152 1.00 46.30 H new ATOM 0 HZ3 LYS A 41 110.404 19.363 -6.077 1.00 46.30 H new ATOM 317 N THR A 42 109.056 18.654 -0.401 1.00 17.48 N ANISOU 317 N THR A 42 2586 1972 2084 -289 697 -180 N ATOM 318 CA THR A 42 107.622 18.432 -0.346 1.00 18.36 C ANISOU 318 CA THR A 42 2805 2115 2057 -391 486 -267 C ATOM 319 C THR A 42 106.992 19.456 0.570 1.00 14.92 C ANISOU 319 C THR A 42 2137 1755 1777 -409 282 -274 C ATOM 320 O THR A 42 105.916 19.980 0.286 1.00 20.85 O ANISOU 320 O THR A 42 2898 2528 2496 -467 132 -249 O ATOM 321 CB THR A 42 107.271 17.006 0.153 1.00 16.03 C ANISOU 321 CB THR A 42 2613 1791 1689 -390 517 -351 C ATOM 322 OG1 THR A 42 107.653 16.051 -0.844 1.00 18.93 O ANISOU 322 OG1 THR A 42 3302 2017 1872 -396 756 -373 O ATOM 323 CG2 THR A 42 105.767 16.865 0.395 1.00 18.61 C ANISOU 323 CG2 THR A 42 2960 2183 1927 -519 274 -405 C ATOM 0 H THR A 42 109.528 18.038 -0.030 1.00 17.48 H new ATOM 0 HA THR A 42 107.273 18.522 -1.247 1.00 18.36 H new ATOM 0 HB THR A 42 107.745 16.851 0.985 1.00 16.03 H new ATOM 0 HG1 THR A 42 107.466 15.277 -0.577 1.00 18.93 H new ATOM 0 HG21 THR A 42 105.572 15.967 0.706 1.00 18.61 H new ATOM 0 HG22 THR A 42 105.485 17.507 1.065 1.00 18.61 H new ATOM 0 HG23 THR A 42 105.289 17.031 -0.432 1.00 18.61 H new ATOM 324 N ALA A 43 107.663 19.718 1.681 1.00 14.29 N ANISOU 324 N ALA A 43 1858 1709 1864 -370 292 -286 N ATOM 325 CA ALA A 43 107.272 20.802 2.581 1.00 16.03 C ANISOU 325 CA ALA A 43 1937 1945 2210 -410 178 -325 C ATOM 326 C ALA A 43 107.248 22.126 1.829 1.00 19.30 C ANISOU 326 C ALA A 43 2361 2286 2687 -426 186 -257 C ATOM 327 O ALA A 43 106.332 22.928 1.978 1.00 19.37 O ANISOU 327 O ALA A 43 2349 2248 2764 -425 125 -256 O ATOM 328 CB ALA A 43 108.229 20.877 3.762 1.00 20.63 C ANISOU 328 CB ALA A 43 2368 2583 2889 -446 177 -337 C ATOM 0 H ALA A 43 108.355 19.277 1.938 1.00 14.29 H new ATOM 0 HA ALA A 43 106.381 20.622 2.919 1.00 16.03 H new ATOM 0 HB1 ALA A 43 107.960 21.599 4.351 1.00 20.63 H new ATOM 0 HB2 ALA A 43 108.209 20.038 4.249 1.00 20.63 H new ATOM 0 HB3 ALA A 43 109.129 21.042 3.440 1.00 20.63 H new ATOM 329 N ALA A 44 108.258 22.347 1.001 1.00 16.61 N ANISOU 329 N ALA A 44 2046 1919 2346 -422 299 -169 N ATOM 330 CA ALA A 44 108.342 23.588 0.246 1.00 18.91 C ANISOU 330 CA ALA A 44 2359 2130 2696 -443 324 -78 C ATOM 331 C ALA A 44 107.126 23.777 -0.660 1.00 16.93 C ANISOU 331 C ALA A 44 2226 1865 2341 -434 231 0 C ATOM 332 O ALA A 44 106.600 24.877 -0.776 1.00 20.60 O ANISOU 332 O ALA A 44 2650 2257 2919 -421 190 81 O ATOM 333 CB ALA A 44 109.629 23.616 -0.580 1.00 21.40 C ANISOU 333 CB ALA A 44 2689 2432 3009 -441 495 27 C ATOM 0 H ALA A 44 108.902 21.795 0.862 1.00 16.61 H new ATOM 0 HA ALA A 44 108.354 24.322 0.880 1.00 18.91 H new ATOM 0 HB1 ALA A 44 109.675 24.446 -1.079 1.00 21.40 H new ATOM 0 HB2 ALA A 44 110.395 23.552 0.012 1.00 21.40 H new ATOM 0 HB3 ALA A 44 109.634 22.868 -1.197 1.00 21.40 H new ATOM 334 N GLU A 45 106.687 22.701 -1.308 1.00 17.88 N ANISOU 334 N GLU A 45 2498 2048 2247 -459 196 0 N ATOM 335 CA GLU A 45 105.591 22.825 -2.240 1.00 23.65 C ANISOU 335 CA GLU A 45 3332 2816 2839 -522 46 123 C ATOM 336 C GLU A 45 104.303 23.127 -1.475 1.00 24.95 C ANISOU 336 C GLU A 45 3312 3013 3156 -492 -115 153 C ATOM 337 O GLU A 45 103.515 23.967 -1.902 1.00 24.81 O ANISOU 337 O GLU A 45 3216 2991 3220 -476 -216 340 O ATOM 338 CB GLU A 45 105.438 21.563 -3.092 1.00 42.12 C ANISOU 338 CB GLU A 45 5942 5201 4860 -637 39 91 C ATOM 339 CG GLU A 45 104.291 21.638 -4.094 1.00 54.45 C ANISOU 339 CG GLU A 45 7622 6851 6214 -794 -192 253 C ATOM 340 CD GLU A 45 102.963 21.154 -3.520 1.00 70.93 C ANISOU 340 CD GLU A 45 9572 9041 8337 -859 -421 271 C ATOM 341 OE1 GLU A 45 102.960 20.580 -2.409 1.00 76.07 O ANISOU 341 OE1 GLU A 45 10114 9676 9114 -788 -364 116 O ATOM 342 OE2 GLU A 45 101.918 21.360 -4.174 1.00 76.45 O ANISOU 342 OE2 GLU A 45 10248 9853 8946 -991 -667 478 O ATOM 0 H GLU A 45 107.008 21.908 -1.220 1.00 17.88 H new ATOM 0 HA GLU A 45 105.780 23.558 -2.846 1.00 23.65 H new ATOM 0 HB2 GLU A 45 106.266 21.403 -3.571 1.00 42.12 H new ATOM 0 HB3 GLU A 45 105.297 20.802 -2.507 1.00 42.12 H new ATOM 0 HG2 GLU A 45 104.192 22.554 -4.396 1.00 54.45 H new ATOM 0 HG3 GLU A 45 104.514 21.105 -4.873 1.00 54.45 H new ATOM 343 N LEU A 46 104.092 22.445 -0.350 1.00 21.64 N ANISOU 343 N LEU A 46 3249 2893 2080 518 154 325 N ATOM 344 CA LEU A 46 102.910 22.701 0.482 1.00 20.96 C ANISOU 344 CA LEU A 46 3116 2895 1954 505 5 301 C ATOM 345 C LEU A 46 102.922 24.128 1.038 1.00 22.79 C ANISOU 345 C LEU A 46 3331 3079 2248 519 34 360 C ATOM 346 O LEU A 46 101.908 24.841 1.017 1.00 21.35 O ANISOU 346 O LEU A 46 3181 2957 1976 579 -26 371 O ATOM 347 CB LEU A 46 102.827 21.690 1.626 1.00 18.28 C ANISOU 347 CB LEU A 46 2661 2581 1705 400 -106 235 C ATOM 348 CG LEU A 46 102.589 20.240 1.186 1.00 24.66 C ANISOU 348 CG LEU A 46 3489 3435 2447 380 -152 166 C ATOM 349 CD1 LEU A 46 102.705 19.299 2.369 1.00 22.27 C ANISOU 349 CD1 LEU A 46 3084 3123 2254 274 -242 121 C ATOM 350 CD2 LEU A 46 101.217 20.138 0.531 1.00 23.53 C ANISOU 350 CD2 LEU A 46 3411 3420 2108 432 -237 125 C ATOM 0 H LEU A 46 104.616 21.833 -0.050 1.00 21.64 H new ATOM 0 HA LEU A 46 102.126 22.602 -0.081 1.00 20.96 H new ATOM 0 HB2 LEU A 46 103.651 21.729 2.136 1.00 18.28 H new ATOM 0 HB3 LEU A 46 102.111 21.955 2.224 1.00 18.28 H new ATOM 0 HG LEU A 46 103.265 19.979 0.541 1.00 24.66 H new ATOM 0 HD11 LEU A 46 102.552 18.388 2.074 1.00 22.27 H new ATOM 0 HD12 LEU A 46 103.593 19.369 2.753 1.00 22.27 H new ATOM 0 HD13 LEU A 46 102.044 19.537 3.038 1.00 22.27 H new ATOM 0 HD21 LEU A 46 101.060 19.223 0.250 1.00 23.53 H new ATOM 0 HD22 LEU A 46 100.534 20.403 1.167 1.00 23.53 H new ATOM 0 HD23 LEU A 46 101.183 20.723 -0.242 1.00 23.53 H new ATOM 351 N ILE A 47 104.084 24.542 1.528 1.00 18.64 N ANISOU 351 N ILE A 47 2753 2446 1884 464 128 391 N ATOM 352 CA ILE A 47 104.254 25.895 2.016 1.00 13.01 C ANISOU 352 CA ILE A 47 2032 1668 1244 464 180 440 C ATOM 353 C ILE A 47 103.956 26.914 0.925 1.00 16.99 C ANISOU 353 C ILE A 47 2677 2145 1632 578 268 512 C ATOM 354 O ILE A 47 103.375 27.960 1.199 1.00 19.55 O ANISOU 354 O ILE A 47 3025 2460 1942 618 254 543 O ATOM 355 CB ILE A 47 105.676 26.102 2.579 1.00 22.97 C ANISOU 355 CB ILE A 47 3212 2820 2696 378 279 454 C ATOM 356 CG1 ILE A 47 105.801 25.360 3.913 1.00 17.95 C ANISOU 356 CG1 ILE A 47 2435 2215 2170 270 160 397 C ATOM 357 CG2 ILE A 47 105.969 27.576 2.775 1.00 16.99 C ANISOU 357 CG2 ILE A 47 2478 1976 2002 380 375 507 C ATOM 358 CD1 ILE A 47 107.193 25.370 4.513 1.00 17.03 C ANISOU 358 CD1 ILE A 47 2216 2015 2241 186 226 402 C ATOM 0 H ILE A 47 104.787 24.050 1.585 1.00 18.64 H new ATOM 0 HA ILE A 47 103.618 26.032 2.736 1.00 13.01 H new ATOM 0 HB ILE A 47 106.320 25.749 1.946 1.00 22.97 H new ATOM 0 HG12 ILE A 47 105.185 25.756 4.549 1.00 17.95 H new ATOM 0 HG13 ILE A 47 105.524 24.439 3.785 1.00 17.95 H new ATOM 0 HG21 ILE A 47 106.866 27.684 3.129 1.00 16.99 H new ATOM 0 HG22 ILE A 47 105.900 28.036 1.924 1.00 16.99 H new ATOM 0 HG23 ILE A 47 105.329 27.953 3.398 1.00 16.99 H new ATOM 0 HD11 ILE A 47 107.188 24.882 5.351 1.00 17.03 H new ATOM 0 HD12 ILE A 47 107.814 24.949 3.898 1.00 17.03 H new ATOM 0 HD13 ILE A 47 107.470 26.286 4.674 1.00 17.03 H new ATOM 359 N GLU A 48 104.323 26.612 -0.316 1.00 20.90 N ANISOU 359 N GLU A 48 3277 2627 2039 634 361 541 N ATOM 360 CA GLU A 48 104.085 27.567 -1.396 1.00 23.98 C ANISOU 360 CA GLU A 48 3821 2987 2304 742 448 623 C ATOM 361 C GLU A 48 102.593 27.757 -1.696 1.00 27.13 C ANISOU 361 C GLU A 48 4259 3498 2550 830 309 608 C ATOM 362 O GLU A 48 102.172 28.856 -2.037 1.00 31.90 O ANISOU 362 O GLU A 48 4915 4070 3136 890 327 646 O ATOM 363 CB GLU A 48 104.808 27.152 -2.684 1.00 24.41 C ANISOU 363 CB GLU A 48 3982 3010 2282 772 582 648 C ATOM 364 CG GLU A 48 104.626 28.175 -3.815 1.00 35.50 C ANISOU 364 CG GLU A 48 5525 4376 3589 856 659 710 C ATOM 365 CD GLU A 48 105.273 27.774 -5.126 1.00 44.41 C ANISOU 365 CD GLU A 48 6748 5480 4647 869 777 713 C ATOM 366 OE1 GLU A 48 106.055 26.799 -5.144 1.00 51.13 O ANISOU 366 OE1 GLU A 48 7572 6323 5531 819 848 683 O ATOM 367 OE2 GLU A 48 104.992 28.445 -6.146 1.00 43.79 O ANISOU 367 OE2 GLU A 48 6771 5388 4479 929 802 745 O ATOM 0 H GLU A 48 104.703 25.877 -0.552 1.00 20.90 H new ATOM 0 HA GLU A 48 104.443 28.413 -1.083 1.00 23.98 H new ATOM 0 HB2 GLU A 48 105.754 27.043 -2.500 1.00 24.41 H new ATOM 0 HB3 GLU A 48 104.474 26.289 -2.975 1.00 24.41 H new ATOM 0 HG2 GLU A 48 103.677 28.313 -3.963 1.00 35.50 H new ATOM 0 HG3 GLU A 48 104.995 29.026 -3.531 1.00 35.50 H new ATOM 368 N MET A 49 101.784 26.708 -1.572 1.00 29.58 N ANISOU 368 N MET A 49 4503 3929 2807 805 167 519 N ATOM 369 CA AMET A 49 100.367 26.801 -1.940 0.27 33.07 C ANISOU 369 CA AMET A 49 4920 4467 3178 837 43 463 C ATOM 370 CA BMET A 49 100.375 26.834 -1.945 0.73 34.02 C ANISOU 370 CA BMET A 49 5043 4586 3299 839 45 465 C ATOM 371 C MET A 49 99.466 27.257 -0.789 1.00 27.63 C ANISOU 371 C MET A 49 4129 3819 2550 814 -62 426 C ATOM 372 O MET A 49 98.346 27.712 -1.015 1.00 30.04 O ANISOU 372 O MET A 49 4419 4175 2820 856 -128 403 O ATOM 373 CB AMET A 49 99.859 25.452 -2.486 0.27 34.49 C ANISOU 373 CB AMET A 49 5071 4740 3292 795 -35 377 C ATOM 374 CB BMET A 49 99.870 25.520 -2.553 0.73 35.57 C ANISOU 374 CB BMET A 49 5216 4874 3425 801 -30 382 C ATOM 375 CG AMET A 49 100.256 25.154 -3.940 0.27 37.21 C ANISOU 375 CG AMET A 49 5528 5075 3535 838 43 398 C ATOM 376 CG BMET A 49 100.043 24.306 -1.670 0.73 29.65 C ANISOU 376 CG BMET A 49 4375 4159 2730 703 -90 312 C ATOM 377 SD AMET A 49 99.747 23.535 -4.589 0.27 30.03 S ANISOU 377 SD AMET A 49 4596 4262 2553 777 -32 296 S ATOM 378 SD BMET A 49 99.525 22.791 -2.505 0.73 32.31 S ANISOU 378 SD BMET A 49 4710 4575 2994 653 -146 222 S ATOM 379 CE AMET A 49 97.959 23.653 -4.493 0.27 26.16 C ANISOU 379 CE AMET A 49 4016 3873 2050 760 -185 240 C ATOM 380 CE BMET A 49 97.742 22.960 -2.436 0.73 29.45 C ANISOU 380 CE BMET A 49 4265 4297 2628 624 -271 166 C ATOM 0 H AMET A 49 102.030 25.938 -1.279 0.27 29.58 H new ATOM 0 H BMET A 49 102.021 25.934 -1.282 0.73 29.58 H new ATOM 0 HA AMET A 49 100.316 27.482 -2.629 0.27 34.02 H new ATOM 0 HA BMET A 49 100.333 27.547 -2.601 0.73 34.02 H new ATOM 0 HB2AMET A 49 100.197 24.741 -1.920 0.27 35.57 H new ATOM 0 HB2BMET A 49 98.929 25.618 -2.766 0.73 35.57 H new ATOM 0 HB3AMET A 49 98.892 25.434 -2.418 0.27 35.57 H new ATOM 0 HB3BMET A 49 100.336 25.365 -3.389 0.73 35.57 H new ATOM 0 HG2AMET A 49 99.878 25.844 -4.508 0.27 29.65 H new ATOM 0 HG2BMET A 49 100.973 24.228 -1.406 0.73 29.65 H new ATOM 0 HG3AMET A 49 101.221 25.223 -4.014 0.27 29.65 H new ATOM 0 HG3BMET A 49 99.526 24.421 -0.857 0.73 29.65 H new ATOM 0 HE1AMET A 49 97.559 23.033 -5.122 0.27 29.45 H new ATOM 0 HE1BMET A 49 97.380 22.316 -1.807 0.73 29.45 H new ATOM 0 HE2AMET A 49 97.668 23.434 -3.594 0.27 29.45 H new ATOM 0 HE2BMET A 49 97.513 23.857 -2.148 0.73 29.45 H new ATOM 0 HE3AMET A 49 97.682 24.557 -4.711 0.27 29.45 H new ATOM 0 HE3BMET A 49 97.367 22.798 -3.316 0.73 29.45 H new ATOM 381 N ALA A 50 99.951 27.140 0.442 1.00 22.73 N ANISOU 381 N ALA A 50 3439 3176 2021 748 -73 422 N ATOM 382 CA ALA A 50 99.113 27.403 1.619 1.00 20.58 C ANISOU 382 CA ALA A 50 3062 2952 1807 704 -174 369 C ATOM 383 C ALA A 50 98.476 28.784 1.632 1.00 24.43 C ANISOU 383 C ALA A 50 3578 3412 2291 789 -162 406 C ATOM 384 O ALA A 50 99.106 29.770 1.241 1.00 24.40 O ANISOU 384 O ALA A 50 3669 3305 2295 859 -53 499 O ATOM 385 CB ALA A 50 99.911 27.202 2.877 1.00 21.42 C ANISOU 385 CB ALA A 50 3098 3024 2017 620 -176 371 C ATOM 0 H ALA A 50 100.760 26.910 0.622 1.00 22.73 H new ATOM 0 HA ALA A 50 98.383 26.766 1.572 1.00 20.58 H new ATOM 0 HB1 ALA A 50 99.350 27.378 3.648 1.00 21.42 H new ATOM 0 HB2 ALA A 50 100.233 26.288 2.914 1.00 21.42 H new ATOM 0 HB3 ALA A 50 100.666 27.811 2.882 1.00 21.42 H new ATOM 386 N GLU A 51 97.227 28.827 2.100 1.00 24.77 N ANISOU 386 N GLU A 51 3539 3535 2338 774 -261 333 N ATOM 387 CA GLU A 51 96.407 30.036 2.144 1.00 28.63 C ANISOU 387 CA GLU A 51 4042 4018 2819 868 -269 353 C ATOM 388 C GLU A 51 96.316 30.597 3.561 1.00 31.99 C ANISOU 388 C GLU A 51 4397 4432 3327 837 -295 334 C ATOM 389 O GLU A 51 95.980 31.768 3.749 1.00 33.95 O ANISOU 389 O GLU A 51 4674 4636 3590 927 -273 371 O ATOM 390 CB GLU A 51 95.001 29.756 1.614 1.00 31.51 C ANISOU 390 CB GLU A 51 4364 4480 3128 889 -351 289 C ATOM 391 CG GLU A 51 94.941 29.211 0.198 1.00 40.87 C ANISOU 391 CG GLU A 51 5614 5691 4223 923 -343 302 C ATOM 392 CD GLU A 51 94.927 30.299 -0.853 1.00 52.70 C ANISOU 392 CD GLU A 51 7229 7143 5649 1063 -292 388 C ATOM 393 OE1 GLU A 51 94.744 31.479 -0.482 1.00 57.45 O ANISOU 393 OE1 GLU A 51 7855 7696 6277 1140 -271 432 O ATOM 394 OE2 GLU A 51 95.080 29.973 -2.052 1.00 56.90 O ANISOU 394 OE2 GLU A 51 7836 7686 6099 1095 -272 413 O ATOM 0 H GLU A 51 96.824 28.133 2.409 1.00 24.77 H new ATOM 0 HA GLU A 51 96.837 30.696 1.578 1.00 28.63 H new ATOM 0 HB2 GLU A 51 94.567 29.123 2.208 1.00 31.51 H new ATOM 0 HB3 GLU A 51 94.487 30.578 1.651 1.00 31.51 H new ATOM 0 HG2 GLU A 51 95.704 28.632 0.047 1.00 40.87 H new ATOM 0 HG3 GLU A 51 94.146 28.664 0.101 1.00 40.87 H new ATOM 395 N ILE A 52 96.608 29.752 4.551 1.00 28.16 N ANISOU 395 N ILE A 52 3821 3983 2897 708 -341 274 N ATOM 396 CA ILE A 52 96.697 30.166 5.953 1.00 26.62 C ANISOU 396 CA ILE A 52 3553 3787 2776 658 -370 248 C ATOM 397 C ILE A 52 98.138 29.997 6.420 1.00 19.39 C ANISOU 397 C ILE A 52 2624 2761 1981 536 -285 271 C ATOM 398 O ILE A 52 98.938 29.395 5.705 1.00 19.51 O ANISOU 398 O ILE A 52 2686 2744 1982 532 -238 311 O ATOM 399 CB ILE A 52 95.759 29.333 6.869 1.00 22.83 C ANISOU 399 CB ILE A 52 2948 3394 2332 513 -455 125 C ATOM 400 CG1 ILE A 52 96.201 27.868 6.883 1.00 27.32 C ANISOU 400 CG1 ILE A 52 3493 3962 2925 378 -467 97 C ATOM 401 CG2 ILE A 52 94.324 29.460 6.423 1.00 28.82 C ANISOU 401 CG2 ILE A 52 3690 4207 3053 561 -483 82 C ATOM 402 CD1 ILE A 52 95.413 26.977 7.843 1.00 16.38 C ANISOU 402 CD1 ILE A 52 2040 2582 1601 223 -503 23 C ATOM 0 H ILE A 52 96.761 28.915 4.427 1.00 28.16 H new ATOM 0 HA ILE A 52 96.417 31.093 6.014 1.00 26.62 H new ATOM 0 HB ILE A 52 95.820 29.680 7.773 1.00 22.83 H new ATOM 0 HG12 ILE A 52 96.119 27.509 5.986 1.00 27.32 H new ATOM 0 HG13 ILE A 52 97.141 27.828 7.120 1.00 27.32 H new ATOM 0 HG21 ILE A 52 93.756 28.933 7.007 1.00 28.82 H new ATOM 0 HG22 ILE A 52 94.054 30.391 6.463 1.00 28.82 H new ATOM 0 HG23 ILE A 52 94.238 29.138 5.512 1.00 28.82 H new ATOM 0 HD11 ILE A 52 95.751 26.069 7.794 1.00 16.38 H new ATOM 0 HD12 ILE A 52 95.512 27.310 8.749 1.00 16.38 H new ATOM 0 HD13 ILE A 52 94.475 26.986 7.597 1.00 16.38 H new ATOM 403 N PRO A 53 98.483 30.533 7.607 1.00 18.48 N ANISOU 403 N PRO A 53 2443 2591 1988 435 -261 239 N ATOM 404 CA PRO A 53 99.813 30.236 8.143 1.00 20.45 C ANISOU 404 CA PRO A 53 2655 2762 2354 307 -206 247 C ATOM 405 C PRO A 53 100.101 28.756 8.202 1.00 19.37 C ANISOU 405 C PRO A 53 2471 2692 2196 231 -279 219 C ATOM 406 O PRO A 53 99.284 27.954 8.656 1.00 17.42 O ANISOU 406 O PRO A 53 2171 2556 1890 190 -391 154 O ATOM 407 CB PRO A 53 99.758 30.826 9.548 1.00 23.02 C ANISOU 407 CB PRO A 53 2900 3072 2774 201 -219 188 C ATOM 408 CG PRO A 53 98.875 32.005 9.381 1.00 22.70 C ANISOU 408 CG PRO A 53 2905 3012 2708 310 -191 192 C ATOM 409 CD PRO A 53 97.840 31.625 8.360 1.00 19.56 C ANISOU 409 CD PRO A 53 2553 2710 2170 449 -256 206 C ATOM 0 HA PRO A 53 100.518 30.602 7.587 1.00 20.45 H new ATOM 0 HB2 PRO A 53 99.396 30.194 10.189 1.00 23.02 H new ATOM 0 HB3 PRO A 53 100.639 31.079 9.866 1.00 23.02 H new ATOM 0 HG2 PRO A 53 98.457 32.245 10.223 1.00 22.70 H new ATOM 0 HG3 PRO A 53 99.383 32.777 9.086 1.00 22.70 H new ATOM 0 HD2 PRO A 53 97.016 31.333 8.779 1.00 19.56 H new ATOM 0 HD3 PRO A 53 97.616 32.372 7.784 1.00 19.56 H new ATOM 410 N ILE A 54 101.268 28.397 7.703 1.00 17.11 N ANISOU 410 N ILE A 54 2208 2334 1961 215 -204 266 N ATOM 411 CA ILE A 54 101.704 27.031 7.771 1.00 11.87 C ANISOU 411 CA ILE A 54 1502 1706 1304 149 -258 244 C ATOM 412 C ILE A 54 103.065 27.010 8.453 1.00 17.32 C ANISOU 412 C ILE A 54 2125 2311 2146 46 -209 257 C ATOM 413 O ILE A 54 104.012 27.665 8.018 1.00 16.44 O ANISOU 413 O ILE A 54 2039 2100 2108 64 -88 306 O ATOM 414 CB ILE A 54 101.728 26.382 6.380 1.00 15.23 C ANISOU 414 CB ILE A 54 2010 2144 1632 242 -227 274 C ATOM 415 CG1 ILE A 54 102.467 25.045 6.413 1.00 15.47 C ANISOU 415 CG1 ILE A 54 2002 2171 1704 176 -247 256 C ATOM 416 CG2 ILE A 54 102.329 27.309 5.332 1.00 17.32 C ANISOU 416 CG2 ILE A 54 2373 2313 1897 335 -83 351 C ATOM 417 CD1 ILE A 54 102.105 24.172 5.242 1.00 19.84 C ANISOU 417 CD1 ILE A 54 2629 2773 2136 248 -254 248 C ATOM 0 H ILE A 54 101.820 28.934 7.321 1.00 17.11 H new ATOM 0 HA ILE A 54 101.080 26.501 8.291 1.00 11.87 H new ATOM 0 HB ILE A 54 100.807 26.215 6.124 1.00 15.23 H new ATOM 0 HG12 ILE A 54 103.424 25.205 6.413 1.00 15.47 H new ATOM 0 HG13 ILE A 54 102.257 24.581 7.239 1.00 15.47 H new ATOM 0 HG21 ILE A 54 102.327 26.866 4.469 1.00 17.32 H new ATOM 0 HG22 ILE A 54 101.803 28.122 5.279 1.00 17.32 H new ATOM 0 HG23 ILE A 54 103.240 27.530 5.580 1.00 17.32 H new ATOM 0 HD11 ILE A 54 102.593 23.336 5.299 1.00 19.84 H new ATOM 0 HD12 ILE A 54 101.152 23.992 5.255 1.00 19.84 H new ATOM 0 HD13 ILE A 54 102.336 24.625 4.416 1.00 19.84 H new ATOM 418 N TYR A 55 103.135 26.290 9.564 1.00 11.16 N ANISOU 418 N TYR A 55 1257 1574 1410 -67 -307 213 N ATOM 419 CA TYR A 55 104.354 26.208 10.360 1.00 11.88 C ANISOU 419 CA TYR A 55 1267 1606 1641 -169 -294 221 C ATOM 420 C TYR A 55 105.290 25.129 9.822 1.00 15.96 C ANISOU 420 C TYR A 55 1769 2090 2203 -162 -278 246 C ATOM 421 O TYR A 55 104.846 24.056 9.437 1.00 18.52 O ANISOU 421 O TYR A 55 2120 2464 2453 -136 -336 232 O ATOM 422 CB TYR A 55 104.026 25.921 11.827 1.00 12.40 C ANISOU 422 CB TYR A 55 1255 1734 1723 -293 -413 169 C ATOM 423 CG TYR A 55 103.504 27.141 12.528 1.00 12.83 C ANISOU 423 CG TYR A 55 1302 1791 1781 -323 -399 138 C ATOM 424 CD1 TYR A 55 102.168 27.508 12.416 1.00 16.68 C ANISOU 424 CD1 TYR A 55 1830 2342 2166 -268 -425 103 C ATOM 425 CD2 TYR A 55 104.355 27.948 13.273 1.00 14.24 C ANISOU 425 CD2 TYR A 55 1431 1908 2073 -405 -354 135 C ATOM 426 CE1 TYR A 55 101.695 28.663 13.031 1.00 15.92 C ANISOU 426 CE1 TYR A 55 1727 2236 2086 -284 -399 68 C ATOM 427 CE2 TYR A 55 103.894 29.074 13.910 1.00 8.98 C ANISOU 427 CE2 TYR A 55 764 1233 1415 -437 -329 96 C ATOM 428 CZ TYR A 55 102.562 29.437 13.779 1.00 13.30 C ANISOU 428 CZ TYR A 55 1356 1832 1864 -371 -347 64 C ATOM 429 OH TYR A 55 102.099 30.573 14.402 1.00 19.46 O ANISOU 429 OH TYR A 55 2136 2594 2664 -393 -312 19 O ATOM 0 H TYR A 55 102.477 25.834 9.879 1.00 11.16 H new ATOM 0 HA TYR A 55 104.802 27.066 10.298 1.00 11.88 H new ATOM 0 HB2 TYR A 55 103.367 25.211 11.879 1.00 12.40 H new ATOM 0 HB3 TYR A 55 104.822 25.603 12.281 1.00 12.40 H new ATOM 0 HD1 TYR A 55 101.584 26.976 11.925 1.00 16.68 H new ATOM 0 HD2 TYR A 55 105.254 27.721 13.342 1.00 14.24 H new ATOM 0 HE1 TYR A 55 100.804 28.912 12.940 1.00 15.92 H new ATOM 0 HE2 TYR A 55 104.471 29.590 14.426 1.00 8.98 H new ATOM 0 HH TYR A 55 101.330 30.431 14.709 1.00 19.46 H new ATOM 430 N LEU A 56 106.583 25.446 9.773 1.00 21.43 N ANISOU 430 N LEU A 56 2420 2699 3025 -184 -190 277 N ATOM 431 CA LEU A 56 107.590 24.432 9.525 1.00 18.28 C ANISOU 431 CA LEU A 56 1973 2267 2704 -190 -181 291 C ATOM 432 C LEU A 56 107.927 23.833 10.863 1.00 9.49 C ANISOU 432 C LEU A 56 756 1182 1666 -299 -305 271 C ATOM 433 O LEU A 56 108.598 24.451 11.686 1.00 18.70 O ANISOU 433 O LEU A 56 1859 2326 2918 -366 -297 263 O ATOM 434 CB LEU A 56 108.829 25.018 8.867 1.00 13.18 C ANISOU 434 CB LEU A 56 1313 1526 2167 -167 -27 325 C ATOM 435 CG LEU A 56 109.860 24.022 8.341 1.00 20.70 C ANISOU 435 CG LEU A 56 2223 2440 3203 -146 13 335 C ATOM 436 CD1 LEU A 56 109.273 23.199 7.212 1.00 18.31 C ANISOU 436 CD1 LEU A 56 2021 2159 2777 -53 29 333 C ATOM 437 CD2 LEU A 56 111.105 24.784 7.894 1.00 15.59 C ANISOU 437 CD2 LEU A 56 1537 1705 2681 -149 173 357 C ATOM 0 H LEU A 56 106.892 26.241 9.881 1.00 21.43 H new ATOM 0 HA LEU A 56 107.253 23.761 8.911 1.00 18.28 H new ATOM 0 HB2 LEU A 56 108.544 25.578 8.128 1.00 13.18 H new ATOM 0 HB3 LEU A 56 109.268 25.598 9.509 1.00 13.18 H new ATOM 0 HG LEU A 56 110.111 23.404 9.045 1.00 20.70 H new ATOM 0 HD11 LEU A 56 109.939 22.572 6.889 1.00 18.31 H new ATOM 0 HD12 LEU A 56 108.500 22.711 7.535 1.00 18.31 H new ATOM 0 HD13 LEU A 56 109.005 23.787 6.488 1.00 18.31 H new ATOM 0 HD21 LEU A 56 111.765 24.157 7.558 1.00 15.59 H new ATOM 0 HD22 LEU A 56 110.867 25.409 7.192 1.00 15.59 H new ATOM 0 HD23 LEU A 56 111.475 25.270 8.647 1.00 15.59 H new ATOM 438 N VAL A 57 107.408 22.640 11.092 1.00 9.06 N ANISOU 438 N VAL A 57 710 1181 1553 -310 -415 255 N ATOM 439 CA VAL A 57 107.481 21.998 12.400 1.00 13.21 C ANISOU 439 CA VAL A 57 1281 1722 2016 -320 -430 196 C ATOM 440 C VAL A 57 108.632 21.034 12.509 1.00 16.83 C ANISOU 440 C VAL A 57 1698 2137 2559 -317 -441 219 C ATOM 441 O VAL A 57 108.673 20.049 11.771 1.00 16.36 O ANISOU 441 O VAL A 57 1632 2059 2527 -293 -469 242 O ATOM 442 CB VAL A 57 106.208 21.208 12.703 1.00 12.21 C ANISOU 442 CB VAL A 57 1235 1648 1757 -298 -449 144 C ATOM 443 CG1 VAL A 57 106.302 20.620 14.110 1.00 10.78 C ANISOU 443 CG1 VAL A 57 1076 1462 1558 -319 -457 130 C ATOM 444 CG2 VAL A 57 104.981 22.100 12.534 1.00 16.78 C ANISOU 444 CG2 VAL A 57 1844 2272 2258 -283 -439 112 C ATOM 0 H VAL A 57 107.001 22.175 10.494 1.00 9.06 H new ATOM 0 HA VAL A 57 107.601 22.723 13.033 1.00 13.21 H new ATOM 0 HB VAL A 57 106.115 20.474 12.076 1.00 12.21 H new ATOM 0 HG11 VAL A 57 105.495 20.118 14.306 1.00 10.78 H new ATOM 0 HG12 VAL A 57 107.070 20.031 14.164 1.00 10.78 H new ATOM 0 HG13 VAL A 57 106.400 21.338 14.755 1.00 10.78 H new ATOM 0 HG21 VAL A 57 104.180 21.589 12.729 1.00 16.78 H new ATOM 0 HG22 VAL A 57 105.041 22.852 13.144 1.00 16.78 H new ATOM 0 HG23 VAL A 57 104.942 22.427 11.622 1.00 16.78 H new ATOM 445 N SER A 58 109.550 21.272 13.439 1.00 17.11 N ANISOU 445 N SER A 58 1703 2162 2637 -337 -429 208 N ATOM 446 CA SER A 58 110.655 20.344 13.594 1.00 18.67 C ANISOU 446 CA SER A 58 1853 2321 2920 -327 -455 234 C ATOM 447 C SER A 58 111.236 20.270 14.999 1.00 16.47 C ANISOU 447 C SER A 58 1572 2065 2621 -351 -479 214 C ATOM 448 O SER A 58 111.172 21.214 15.791 1.00 21.43 O ANISOU 448 O SER A 58 2204 2716 3224 -385 -471 195 O ATOM 449 CB SER A 58 111.770 20.703 12.620 1.00 19.72 C ANISOU 449 CB SER A 58 1883 2392 3220 -313 -398 270 C ATOM 450 OG SER A 58 112.754 19.684 12.595 1.00 24.18 O ANISOU 450 OG SER A 58 2387 2912 3887 -288 -423 293 O ATOM 0 H SER A 58 109.551 21.945 13.975 1.00 17.11 H new ATOM 0 HA SER A 58 110.282 19.468 13.407 1.00 18.67 H new ATOM 0 HB2 SER A 58 111.403 20.827 11.731 1.00 19.72 H new ATOM 0 HB3 SER A 58 112.175 21.545 12.880 1.00 19.72 H new ATOM 0 HG SER A 58 112.507 19.068 12.080 1.00 24.18 H new ATOM 451 N THR A 59 111.813 19.123 15.299 1.00 22.41 N ANISOU 451 N THR A 59 2309 2791 3416 -339 -531 243 N ATOM 452 CA THR A 59 112.546 18.944 16.536 1.00 19.24 C ANISOU 452 CA THR A 59 1882 2384 3044 -366 -589 267 C ATOM 453 C THR A 59 114.029 19.260 16.333 1.00 26.97 C ANISOU 453 C THR A 59 2753 3349 4146 -361 -567 264 C ATOM 454 O THR A 59 114.860 18.913 17.166 1.00 30.80 O ANISOU 454 O THR A 59 3192 3827 4682 -373 -625 286 O ATOM 455 CB THR A 59 112.374 17.515 17.059 1.00 15.70 C ANISOU 455 CB THR A 59 1473 1908 2584 -362 -665 308 C ATOM 456 OG1 THR A 59 112.918 16.586 16.108 1.00 25.15 O ANISOU 456 OG1 THR A 59 2628 3061 3867 -318 -667 321 O ATOM 457 CG2 THR A 59 110.911 17.221 17.274 1.00 20.40 C ANISOU 457 CG2 THR A 59 2169 2519 3061 -378 -671 307 C ATOM 0 H THR A 59 111.792 18.427 14.794 1.00 22.41 H new ATOM 0 HA THR A 59 112.187 19.560 17.194 1.00 19.24 H new ATOM 0 HB THR A 59 112.844 17.425 17.903 1.00 15.70 H new ATOM 0 HG1 THR A 59 112.825 15.803 16.396 1.00 25.15 H new ATOM 0 HG21 THR A 59 110.808 16.315 17.605 1.00 20.40 H new ATOM 0 HG22 THR A 59 110.547 17.845 17.922 1.00 20.40 H new ATOM 0 HG23 THR A 59 110.435 17.314 16.434 1.00 20.40 H new ATOM 458 N MET A 60 114.352 19.922 15.222 1.00 23.94 N ANISOU 458 N MET A 60 2316 2937 3843 -348 -497 262 N ATOM 459 CA MET A 60 115.732 20.315 14.941 1.00 16.88 C ANISOU 459 CA MET A 60 1307 2012 3094 -346 -458 267 C ATOM 460 C MET A 60 116.293 21.142 16.095 1.00 22.08 C ANISOU 460 C MET A 60 1943 2729 3717 -402 -467 228 C ATOM 461 O MET A 60 115.597 21.991 16.664 1.00 20.49 O ANISOU 461 O MET A 60 1798 2568 3421 -442 -458 198 O ATOM 462 CB MET A 60 115.818 21.104 13.622 1.00 13.94 C ANISOU 462 CB MET A 60 895 1594 2807 -333 -344 268 C ATOM 463 CG MET A 60 115.742 20.244 12.357 1.00 16.71 C ANISOU 463 CG MET A 60 1216 1879 3254 -272 -306 301 C ATOM 464 SD MET A 60 115.860 21.150 10.793 1.00 22.48 S ANISOU 464 SD MET A 60 1904 2550 4086 -251 -119 308 S ATOM 465 CE MET A 60 114.525 22.328 10.948 1.00 24.80 C ANISOU 465 CE MET A 60 2303 2890 4231 -297 -116 302 C ATOM 0 H MET A 60 113.786 20.153 14.618 1.00 23.94 H new ATOM 0 HA MET A 60 116.265 19.510 14.847 1.00 16.88 H new ATOM 0 HB2 MET A 60 115.098 21.754 13.600 1.00 13.94 H new ATOM 0 HB3 MET A 60 116.650 21.602 13.611 1.00 13.94 H new ATOM 0 HG2 MET A 60 116.455 19.587 12.387 1.00 16.71 H new ATOM 0 HG3 MET A 60 114.905 19.754 12.367 1.00 16.71 H new ATOM 0 HE1 MET A 60 114.845 23.213 10.714 1.00 24.80 H new ATOM 0 HE2 MET A 60 113.802 22.078 10.351 1.00 24.80 H new ATOM 0 HE3 MET A 60 114.202 22.333 11.863 1.00 24.80 H new ATOM 466 N LYS A 61 117.558 20.898 16.435 1.00 24.15 N ANISOU 466 N LYS A 61 2108 2985 4081 -404 -493 235 N ATOM 467 CA LYS A 61 118.117 21.437 17.668 1.00 24.18 C ANISOU 467 CA LYS A 61 2076 3041 4071 -460 -538 213 C ATOM 468 C LYS A 61 119.128 22.552 17.434 1.00 26.54 C ANISOU 468 C LYS A 61 2283 3355 4446 -502 -461 173 C ATOM 469 O LYS A 61 119.324 23.416 18.291 1.00 28.29 O ANISOU 469 O LYS A 61 2486 3618 4645 -568 -473 141 O ATOM 470 CB LYS A 61 118.781 20.314 18.470 1.00 33.82 C ANISOU 470 CB LYS A 61 3251 4259 5339 -443 -647 251 C ATOM 471 CG LYS A 61 117.968 19.043 18.583 1.00 33.39 C ANISOU 471 CG LYS A 61 3282 4172 5232 -405 -713 298 C ATOM 472 CD LYS A 61 118.850 17.868 19.006 1.00 42.02 C ANISOU 472 CD LYS A 61 4312 5243 6410 -375 -801 340 C ATOM 473 CE LYS A 61 120.035 17.701 18.061 1.00 50.11 C ANISOU 473 CE LYS A 61 5209 6228 7604 -326 -761 340 C ATOM 474 NZ LYS A 61 120.898 16.540 18.429 1.00 59.87 N ANISOU 474 NZ LYS A 61 6369 7428 8950 -284 -855 385 N ATOM 0 H LYS A 61 118.104 20.426 15.968 1.00 24.15 H new ATOM 0 HA LYS A 61 117.376 21.822 18.162 1.00 24.18 H new ATOM 0 HB2 LYS A 61 119.633 20.101 18.059 1.00 33.82 H new ATOM 0 HB3 LYS A 61 118.971 20.641 19.363 1.00 33.82 H new ATOM 0 HG2 LYS A 61 117.255 19.167 19.229 1.00 33.39 H new ATOM 0 HG3 LYS A 61 117.547 18.847 17.731 1.00 33.39 H new ATOM 0 HD2 LYS A 61 119.171 18.010 19.910 1.00 42.02 H new ATOM 0 HD3 LYS A 61 118.324 17.053 19.017 1.00 42.02 H new ATOM 0 HE2 LYS A 61 119.709 17.584 17.155 1.00 50.11 H new ATOM 0 HE3 LYS A 61 120.568 18.512 18.068 1.00 50.11 H new ATOM 0 HZ1 LYS A 61 121.575 16.479 17.854 1.00 59.87 H new ATOM 0 HZ2 LYS A 61 121.217 16.656 19.252 1.00 59.87 H new ATOM 0 HZ3 LYS A 61 120.417 15.792 18.401 1.00 59.87 H new ATOM 475 N THR A 62 119.788 22.525 16.283 1.00 26.49 N ANISOU 475 N THR A 62 2208 3294 4563 -467 -385 184 N ATOM 476 CA THR A 62 120.844 23.491 16.019 1.00 23.02 C ANISOU 476 CA THR A 62 1675 2854 4218 -508 -302 154 C ATOM 477 C THR A 62 120.398 24.489 14.954 1.00 25.37 C ANISOU 477 C THR A 62 2015 3098 4527 -516 -171 148 C ATOM 478 O THR A 62 119.601 24.170 14.070 1.00 30.31 O ANISOU 478 O THR A 62 2698 3671 5148 -465 -132 177 O ATOM 479 CB THR A 62 122.157 22.799 15.581 1.00 31.20 C ANISOU 479 CB THR A 62 2575 3850 5429 -464 -294 167 C ATOM 480 OG1 THR A 62 122.075 22.426 14.202 1.00 34.84 O ANISOU 480 OG1 THR A 62 3028 4220 5990 -397 -197 189 O ATOM 481 CG2 THR A 62 122.434 21.553 16.442 1.00 20.77 C ANISOU 481 CG2 THR A 62 1224 2554 4112 -430 -432 195 C ATOM 0 H THR A 62 119.642 21.963 15.649 1.00 26.49 H new ATOM 0 HA THR A 62 121.019 23.964 16.847 1.00 23.02 H new ATOM 0 HB THR A 62 122.887 23.426 15.703 1.00 31.20 H new ATOM 0 HG1 THR A 62 121.619 21.724 14.128 1.00 34.84 H new ATOM 0 HG21 THR A 62 123.260 21.135 16.151 1.00 20.77 H new ATOM 0 HG22 THR A 62 122.514 21.814 17.373 1.00 20.77 H new ATOM 0 HG23 THR A 62 121.702 20.923 16.345 1.00 20.77 H new ATOM 482 N PHE A 63 120.896 25.711 15.077 1.00 25.76 N ANISOU 482 N PHE A 63 2038 3161 4587 -586 -102 113 N ATOM 483 CA PHE A 63 120.562 26.793 14.158 1.00 24.05 C ANISOU 483 CA PHE A 63 1869 2882 4386 -599 33 112 C ATOM 484 C PHE A 63 120.837 26.483 12.672 1.00 26.96 C ANISOU 484 C PHE A 63 2211 3152 4879 -529 162 137 C ATOM 485 O PHE A 63 120.018 26.821 11.818 1.00 25.18 O ANISOU 485 O PHE A 63 2066 2874 4627 -502 248 159 O ATOM 486 CB PHE A 63 121.318 28.068 14.575 1.00 25.32 C ANISOU 486 CB PHE A 63 1993 3063 4564 -690 86 73 C ATOM 487 CG PHE A 63 121.289 29.153 13.547 1.00 29.81 C ANISOU 487 CG PHE A 63 2599 3542 5186 -696 247 74 C ATOM 488 CD1 PHE A 63 122.285 29.244 12.582 1.00 28.92 C ANISOU 488 CD1 PHE A 63 2418 3360 5210 -677 378 69 C ATOM 489 CD2 PHE A 63 120.266 30.088 13.545 1.00 25.99 C ANISOU 489 CD2 PHE A 63 2224 3037 4613 -719 279 78 C ATOM 490 CE1 PHE A 63 122.243 30.237 11.628 1.00 35.04 C ANISOU 490 CE1 PHE A 63 3251 4046 6018 -681 545 70 C ATOM 491 CE2 PHE A 63 120.216 31.077 12.596 1.00 21.19 C ANISOU 491 CE2 PHE A 63 1666 2333 4051 -715 436 84 C ATOM 492 CZ PHE A 63 121.210 31.165 11.643 1.00 26.78 C ANISOU 492 CZ PHE A 63 2322 2972 4879 -698 573 81 C ATOM 0 H PHE A 63 121.442 25.939 15.701 1.00 25.76 H new ATOM 0 HA PHE A 63 119.602 26.916 14.225 1.00 24.05 H new ATOM 0 HB2 PHE A 63 120.935 28.406 15.400 1.00 25.32 H new ATOM 0 HB3 PHE A 63 122.241 27.839 14.764 1.00 25.32 H new ATOM 0 HD1 PHE A 63 122.984 28.631 12.580 1.00 28.92 H new ATOM 0 HD2 PHE A 63 119.604 30.044 14.197 1.00 25.99 H new ATOM 0 HE1 PHE A 63 122.904 30.286 10.976 1.00 35.04 H new ATOM 0 HE2 PHE A 63 119.514 31.687 12.595 1.00 21.19 H new ATOM 0 HZ PHE A 63 121.188 31.846 11.010 1.00 26.78 H new ATOM 493 N PRO A 64 122.005 25.898 12.344 1.00 28.85 N ANISOU 493 N PRO A 64 2340 3371 5253 -501 192 131 N ATOM 494 CA PRO A 64 122.208 25.677 10.906 1.00 27.18 C ANISOU 494 CA PRO A 64 2119 3068 5140 -440 346 145 C ATOM 495 C PRO A 64 121.161 24.744 10.301 1.00 24.13 C ANISOU 495 C PRO A 64 1801 2655 4713 -367 330 187 C ATOM 496 O PRO A 64 120.728 24.944 9.168 1.00 21.94 O ANISOU 496 O PRO A 64 1583 2317 4436 -333 469 206 O ATOM 497 CB PRO A 64 123.603 25.052 10.838 1.00 33.25 C ANISOU 497 CB PRO A 64 2748 3831 6055 -420 359 123 C ATOM 498 CG PRO A 64 124.285 25.501 12.082 1.00 29.95 C ANISOU 498 CG PRO A 64 2261 3493 5624 -495 258 92 C ATOM 499 CD PRO A 64 123.208 25.549 13.123 1.00 28.06 C ANISOU 499 CD PRO A 64 2116 3321 5222 -525 118 107 C ATOM 0 HA PRO A 64 122.125 26.499 10.397 1.00 27.18 H new ATOM 0 HB2 PRO A 64 123.553 24.084 10.794 1.00 33.25 H new ATOM 0 HB3 PRO A 64 124.082 25.347 10.048 1.00 33.25 H new ATOM 0 HG2 PRO A 64 124.991 24.887 12.336 1.00 29.95 H new ATOM 0 HG3 PRO A 64 124.696 26.371 11.962 1.00 29.95 H new ATOM 0 HD2 PRO A 64 123.108 24.697 13.575 1.00 28.06 H new ATOM 0 HD3 PRO A 64 123.398 26.211 13.806 1.00 28.06 H new ATOM 500 N GLU A 65 120.768 23.728 11.061 1.00 21.99 N ANISOU 500 N GLU A 65 1528 2430 4397 -347 168 204 N ATOM 501 CA GLU A 65 119.734 22.806 10.611 1.00 24.31 C ANISOU 501 CA GLU A 65 1884 2708 4645 -290 133 240 C ATOM 502 C GLU A 65 118.478 23.566 10.244 1.00 22.30 C ANISOU 502 C GLU A 65 1740 2453 4278 -306 178 255 C ATOM 503 O GLU A 65 117.849 23.300 9.219 1.00 22.11 O ANISOU 503 O GLU A 65 1758 2390 4252 -262 263 283 O ATOM 504 CB GLU A 65 119.412 21.769 11.694 1.00 29.42 C ANISOU 504 CB GLU A 65 2543 3406 5228 -285 -56 254 C ATOM 505 CG GLU A 65 120.465 20.694 11.895 1.00 36.15 C ANISOU 505 CG GLU A 65 3295 4240 6201 -243 -107 258 C ATOM 506 CD GLU A 65 120.146 19.797 13.074 1.00 36.05 C ANISOU 506 CD GLU A 65 3319 4271 6108 -247 -280 280 C ATOM 507 OE1 GLU A 65 120.468 20.181 14.217 1.00 34.27 O ANISOU 507 OE1 GLU A 65 3086 4109 5824 -298 -353 265 O ATOM 508 OE2 GLU A 65 119.577 18.706 12.863 1.00 39.04 O ANISOU 508 OE2 GLU A 65 3736 4620 6478 -202 -333 309 O ATOM 0 H GLU A 65 121.088 23.555 11.840 1.00 21.99 H new ATOM 0 HA GLU A 65 120.068 22.341 9.828 1.00 24.31 H new ATOM 0 HB2 GLU A 65 119.279 22.232 12.536 1.00 29.42 H new ATOM 0 HB3 GLU A 65 118.571 21.340 11.471 1.00 29.42 H new ATOM 0 HG2 GLU A 65 120.534 20.156 11.091 1.00 36.15 H new ATOM 0 HG3 GLU A 65 121.330 21.112 12.032 1.00 36.15 H new ATOM 509 N TRP A 66 118.111 24.500 11.112 1.00 26.91 N ANISOU 509 N TRP A 66 2373 3087 4767 -369 125 235 N ATOM 510 CA TRP A 66 116.922 25.311 10.922 1.00 23.31 C ANISOU 510 CA TRP A 66 2017 2632 4209 -386 155 246 C ATOM 511 C TRP A 66 117.088 26.303 9.786 1.00 20.21 C ANISOU 511 C TRP A 66 1654 2161 3865 -378 351 259 C ATOM 512 O TRP A 66 116.230 26.411 8.922 1.00 18.92 O ANISOU 512 O TRP A 66 1567 1960 3660 -341 433 298 O ATOM 513 CB TRP A 66 116.595 26.048 12.206 1.00 24.85 C ANISOU 513 CB TRP A 66 2249 2896 4297 -454 63 209 C ATOM 514 CG TRP A 66 115.673 25.293 13.060 1.00 22.78 C ANISOU 514 CG TRP A 66 2040 2703 3912 -451 -79 205 C ATOM 515 CD1 TRP A 66 115.980 24.595 14.189 1.00 26.12 C ANISOU 515 CD1 TRP A 66 2450 3187 4288 -465 -189 185 C ATOM 516 CD2 TRP A 66 114.273 25.133 12.851 1.00 20.66 C ANISOU 516 CD2 TRP A 66 1854 2449 3548 -432 -112 219 C ATOM 517 NE1 TRP A 66 114.846 24.008 14.701 1.00 26.00 N ANISOU 517 NE1 TRP A 66 2518 3215 4147 -452 -269 182 N ATOM 518 CE2 TRP A 66 113.785 24.321 13.893 1.00 20.40 C ANISOU 518 CE2 TRP A 66 1863 2484 3405 -434 -232 198 C ATOM 519 CE3 TRP A 66 113.380 25.590 11.875 1.00 17.03 C ANISOU 519 CE3 TRP A 66 1437 1948 3084 -410 -40 251 C ATOM 520 CZ2 TRP A 66 112.444 23.972 14.001 1.00 16.77 C ANISOU 520 CZ2 TRP A 66 1484 2058 2829 -418 -282 194 C ATOM 521 CZ3 TRP A 66 112.035 25.227 11.977 1.00 13.43 C ANISOU 521 CZ3 TRP A 66 1046 1536 2521 -399 -119 256 C ATOM 522 CH2 TRP A 66 111.586 24.431 13.035 1.00 18.93 C ANISOU 522 CH2 TRP A 66 1783 2306 3103 -404 -240 219 C ATOM 0 H TRP A 66 118.548 24.680 11.830 1.00 26.91 H new ATOM 0 HA TRP A 66 116.193 24.716 10.688 1.00 23.31 H new ATOM 0 HB2 TRP A 66 117.415 26.223 12.694 1.00 24.85 H new ATOM 0 HB3 TRP A 66 116.203 26.909 11.992 1.00 24.85 H new ATOM 0 HD1 TRP A 66 116.830 24.526 14.559 1.00 26.12 H new ATOM 0 HE1 TRP A 66 114.809 23.524 15.411 1.00 26.00 H new ATOM 0 HE3 TRP A 66 113.676 26.124 11.173 1.00 17.03 H new ATOM 0 HZ2 TRP A 66 112.139 23.445 14.704 1.00 16.77 H new ATOM 0 HZ3 TRP A 66 111.431 25.518 11.333 1.00 13.43 H new ATOM 0 HH2 TRP A 66 110.685 24.208 13.085 1.00 18.93 H new ATOM 523 N ALA A 67 118.202 27.031 9.808 1.00 29.70 N ANISOU 523 N ALA A 67 2808 3337 5141 -412 431 229 N ATOM 524 CA ALA A 67 118.543 27.987 8.760 1.00 25.22 C ANISOU 524 CA ALA A 67 2285 2687 4610 -407 631 237 C ATOM 525 C ALA A 67 118.426 27.345 7.384 1.00 24.66 C ANISOU 525 C ALA A 67 2253 2559 4559 -330 766 276 C ATOM 526 O ALA A 67 117.783 27.890 6.485 1.00 29.04 O ANISOU 526 O ALA A 67 2928 3063 5041 -297 895 316 O ATOM 527 CB ALA A 67 119.962 28.529 8.978 1.00 23.88 C ANISOU 527 CB ALA A 67 2029 2506 4538 -457 684 191 C ATOM 0 H ALA A 67 118.786 26.983 10.438 1.00 29.70 H new ATOM 0 HA ALA A 67 117.916 28.726 8.804 1.00 25.22 H new ATOM 0 HB1 ALA A 67 120.178 29.163 8.276 1.00 23.88 H new ATOM 0 HB2 ALA A 67 120.011 28.972 9.840 1.00 23.88 H new ATOM 0 HB3 ALA A 67 120.596 27.795 8.956 1.00 23.88 H new ATOM 528 N ASN A 68 119.048 26.182 7.229 1.00 26.60 N ANISOU 528 N ASN A 68 2409 2812 4887 -294 742 268 N ATOM 529 CA ASN A 68 118.949 25.431 5.985 1.00 27.74 C ANISOU 529 CA ASN A 68 2587 2914 5040 -220 870 295 C ATOM 530 C ASN A 68 117.529 24.982 5.611 1.00 19.33 C ANISOU 530 C ASN A 68 1624 1869 3853 -176 848 345 C ATOM 531 O ASN A 68 117.163 25.020 4.438 1.00 21.11 O ANISOU 531 O ASN A 68 1993 2067 3961 -105 967 364 O ATOM 532 CB ASN A 68 119.844 24.201 6.031 1.00 29.51 C ANISOU 532 CB ASN A 68 2685 3142 5384 -186 829 267 C ATOM 533 CG ASN A 68 119.647 23.311 4.823 1.00 24.81 C ANISOU 533 CG ASN A 68 2128 2514 4783 -104 955 282 C ATOM 534 OD1 ASN A 68 120.197 23.572 3.757 1.00 24.29 O ANISOU 534 OD1 ASN A 68 2107 2395 4724 -79 1145 272 O ATOM 535 ND2 ASN A 68 118.837 22.267 4.973 1.00 22.73 N ANISOU 535 ND2 ASN A 68 1889 2286 4460 -57 834 295 N ATOM 0 H ASN A 68 119.533 25.810 7.834 1.00 26.60 H new ATOM 0 HA ASN A 68 119.236 26.056 5.301 1.00 27.74 H new ATOM 0 HB2 ASN A 68 120.772 24.479 6.079 1.00 29.51 H new ATOM 0 HB3 ASN A 68 119.657 23.696 6.838 1.00 29.51 H new ATOM 0 HD21 ASN A 68 118.682 21.744 4.308 1.00 22.73 H new ATOM 0 HD22 ASN A 68 118.469 22.115 5.735 1.00 22.73 H new ATOM 536 N ALA A 69 116.748 24.521 6.586 1.00 21.20 N ANISOU 536 N ALA A 69 1848 2171 4035 -193 644 344 N ATOM 537 CA ALA A 69 115.368 24.095 6.315 1.00 17.30 C ANISOU 537 CA ALA A 69 1504 1722 3346 -131 557 358 C ATOM 538 C ALA A 69 114.518 25.267 5.853 1.00 24.99 C ANISOU 538 C ALA A 69 2626 2686 4184 -115 630 385 C ATOM 539 O ALA A 69 113.678 25.140 4.950 1.00 20.63 O ANISOU 539 O ALA A 69 2219 2146 3472 -35 658 402 O ATOM 540 CB ALA A 69 114.752 23.473 7.539 1.00 17.27 C ANISOU 540 CB ALA A 69 1452 1789 3323 -172 339 348 C ATOM 0 H ALA A 69 116.992 24.446 7.407 1.00 21.20 H new ATOM 0 HA ALA A 69 115.398 23.433 5.606 1.00 17.30 H new ATOM 0 HB1 ALA A 69 113.843 23.199 7.340 1.00 17.27 H new ATOM 0 HB2 ALA A 69 115.272 22.699 7.805 1.00 17.27 H new ATOM 0 HB3 ALA A 69 114.743 24.120 8.262 1.00 17.27 H new ATOM 541 N VAL A 70 114.742 26.411 6.494 1.00 17.97 N ANISOU 541 N VAL A 70 1698 1772 3359 -192 656 387 N ATOM 542 CA VAL A 70 113.995 27.615 6.207 1.00 16.41 C ANISOU 542 CA VAL A 70 1630 1547 3057 -178 723 414 C ATOM 543 C VAL A 70 114.386 28.088 4.820 1.00 21.20 C ANISOU 543 C VAL A 70 2346 2078 3632 -118 931 451 C ATOM 544 O VAL A 70 113.539 28.538 4.052 1.00 17.90 O ANISOU 544 O VAL A 70 2090 1651 3061 -43 975 490 O ATOM 545 CB VAL A 70 114.276 28.718 7.259 1.00 19.71 C ANISOU 545 CB VAL A 70 1975 1940 3573 -287 717 396 C ATOM 546 CG1 VAL A 70 113.689 30.047 6.844 1.00 16.10 C ANISOU 546 CG1 VAL A 70 1658 1422 3039 -265 824 428 C ATOM 547 CG2 VAL A 70 113.751 28.283 8.611 1.00 20.54 C ANISOU 547 CG2 VAL A 70 2004 2133 3666 -342 506 358 C ATOM 0 H VAL A 70 115.336 26.504 7.109 1.00 17.97 H new ATOM 0 HA VAL A 70 113.044 27.425 6.244 1.00 16.41 H new ATOM 0 HB VAL A 70 115.236 28.843 7.322 1.00 19.71 H new ATOM 0 HG11 VAL A 70 113.883 30.713 7.523 1.00 16.10 H new ATOM 0 HG12 VAL A 70 114.079 30.324 6.000 1.00 16.10 H new ATOM 0 HG13 VAL A 70 112.728 29.959 6.743 1.00 16.10 H new ATOM 0 HG21 VAL A 70 113.929 28.976 9.266 1.00 20.54 H new ATOM 0 HG22 VAL A 70 112.795 28.131 8.553 1.00 20.54 H new ATOM 0 HG23 VAL A 70 114.192 27.463 8.881 1.00 20.54 H new ATOM 548 N GLU A 71 115.674 27.961 4.496 1.00 17.97 N ANISOU 548 N GLU A 71 1846 1617 3363 -151 1059 437 N ATOM 549 CA GLU A 71 116.163 28.387 3.184 1.00 18.67 C ANISOU 549 CA GLU A 71 2036 1631 3426 -111 1279 467 C ATOM 550 C GLU A 71 115.530 27.571 2.072 1.00 23.79 C ANISOU 550 C GLU A 71 2820 2312 3909 2 1287 485 C ATOM 551 O GLU A 71 115.128 28.123 1.050 1.00 21.87 O ANISOU 551 O GLU A 71 2746 2035 3530 61 1401 533 O ATOM 552 CB GLU A 71 117.683 28.280 3.097 1.00 28.79 C ANISOU 552 CB GLU A 71 3195 2882 4861 -149 1353 409 C ATOM 553 CG GLU A 71 118.409 29.362 3.857 1.00 20.49 C ANISOU 553 CG GLU A 71 2079 1811 3895 -230 1336 364 C ATOM 554 CD GLU A 71 119.912 29.146 3.877 1.00 36.39 C ANISOU 554 CD GLU A 71 3959 3811 6057 -268 1383 304 C ATOM 555 OE1 GLU A 71 120.398 28.319 3.071 1.00 29.85 O ANISOU 555 OE1 GLU A 71 3112 2966 5261 -223 1468 300 O ATOM 556 OE2 GLU A 71 120.596 29.810 4.687 1.00 30.04 O ANISOU 556 OE2 GLU A 71 3073 3015 5328 -340 1339 259 O ATOM 0 H GLU A 71 116.276 27.634 5.016 1.00 17.97 H new ATOM 0 HA GLU A 71 115.910 29.317 3.074 1.00 18.67 H new ATOM 0 HB2 GLU A 71 117.959 27.415 3.438 1.00 28.79 H new ATOM 0 HB3 GLU A 71 117.949 28.315 2.165 1.00 28.79 H new ATOM 0 HG2 GLU A 71 118.214 30.223 3.455 1.00 20.49 H new ATOM 0 HG3 GLU A 71 118.077 29.393 4.768 1.00 20.49 H new ATOM 557 N LYS A 72 115.429 26.260 2.282 1.00 24.99 N ANISOU 557 N LYS A 72 2904 2525 4065 28 1162 448 N ATOM 558 CA LYS A 72 114.903 25.347 1.266 1.00 17.96 C ANISOU 558 CA LYS A 72 2127 1667 3030 121 1168 446 C ATOM 559 C LYS A 72 113.377 25.420 1.140 1.00 26.23 C ANISOU 559 C LYS A 72 3316 2781 3868 180 1046 469 C ATOM 560 O LYS A 72 112.822 25.112 0.080 1.00 19.91 O ANISOU 560 O LYS A 72 2655 2005 2907 258 1083 480 O ATOM 561 CB LYS A 72 115.319 23.899 1.571 1.00 17.74 C ANISOU 561 CB LYS A 72 1980 1668 3091 126 1080 393 C ATOM 562 CG LYS A 72 116.822 23.645 1.589 1.00 29.99 C ANISOU 562 CG LYS A 72 3377 3164 4855 91 1193 363 C ATOM 563 CD LYS A 72 117.451 23.918 0.241 1.00 30.03 C ANISOU 563 CD LYS A 72 3463 3109 4838 123 1432 365 C ATOM 564 CE LYS A 72 118.867 23.314 0.141 1.00 38.52 C ANISOU 564 CE LYS A 72 4373 4143 6121 107 1539 315 C ATOM 565 NZ LYS A 72 119.876 23.950 1.055 1.00 34.60 N ANISOU 565 NZ LYS A 72 3698 3621 5826 18 1535 300 N ATOM 0 H LYS A 72 115.662 25.875 3.015 1.00 24.99 H new ATOM 0 HA LYS A 72 115.285 25.630 0.420 1.00 17.96 H new ATOM 0 HB2 LYS A 72 114.953 23.647 2.433 1.00 17.74 H new ATOM 0 HB3 LYS A 72 114.915 23.316 0.910 1.00 17.74 H new ATOM 0 HG2 LYS A 72 117.238 24.208 2.260 1.00 29.99 H new ATOM 0 HG3 LYS A 72 116.992 22.725 1.846 1.00 29.99 H new ATOM 0 HD2 LYS A 72 116.891 23.548 -0.459 1.00 30.03 H new ATOM 0 HD3 LYS A 72 117.496 24.875 0.092 1.00 30.03 H new ATOM 0 HE2 LYS A 72 118.818 22.366 0.340 1.00 38.52 H new ATOM 0 HE3 LYS A 72 119.178 23.396 -0.774 1.00 38.52 H new ATOM 0 HZ1 LYS A 72 120.697 23.740 0.783 1.00 34.60 H new ATOM 0 HZ2 LYS A 72 119.776 24.834 1.039 1.00 34.60 H new ATOM 0 HZ3 LYS A 72 119.754 23.653 1.885 1.00 34.60 H new ATOM 566 N THR A 73 112.699 25.828 2.214 1.00 21.51 N ANISOU 566 N THR A 73 2680 2221 3271 142 902 470 N ATOM 567 CA THR A 73 111.243 25.825 2.233 1.00 17.67 C ANISOU 567 CA THR A 73 2294 1811 2609 194 773 478 C ATOM 568 C THR A 73 110.606 27.200 2.079 1.00 24.11 C ANISOU 568 C THR A 73 3216 2601 3342 222 816 529 C ATOM 569 O THR A 73 109.452 27.303 1.676 1.00 22.74 O ANISOU 569 O THR A 73 3153 2484 3005 296 752 546 O ATOM 570 CB THR A 73 110.682 25.236 3.550 1.00 14.02 C ANISOU 570 CB THR A 73 1728 1421 2179 138 570 437 C ATOM 571 OG1 THR A 73 111.172 25.999 4.657 1.00 22.39 O ANISOU 571 OG1 THR A 73 2683 2450 3376 49 555 435 O ATOM 572 CG2 THR A 73 111.084 23.784 3.711 1.00 13.81 C ANISOU 572 CG2 THR A 73 1621 1417 2211 126 502 396 C ATOM 0 H THR A 73 113.066 26.109 2.939 1.00 21.51 H new ATOM 0 HA THR A 73 111.014 25.278 1.465 1.00 17.67 H new ATOM 0 HB THR A 73 109.713 25.281 3.521 1.00 14.02 H new ATOM 0 HG1 THR A 73 111.976 25.803 4.799 1.00 22.39 H new ATOM 0 HG21 THR A 73 110.722 23.438 4.542 1.00 13.81 H new ATOM 0 HG22 THR A 73 110.737 23.267 2.967 1.00 13.81 H new ATOM 0 HG23 THR A 73 112.051 23.716 3.728 1.00 13.81 H new ATOM 573 N GLY A 74 111.343 28.252 2.429 1.00 24.32 N ANISOU 573 N GLY A 74 3206 2544 3489 163 920 549 N ATOM 574 CA GLY A 74 110.809 29.596 2.359 1.00 22.52 C ANISOU 574 CA GLY A 74 3082 2270 3207 187 971 597 C ATOM 575 C GLY A 74 109.729 29.763 3.402 1.00 20.34 C ANISOU 575 C GLY A 74 2771 2060 2896 176 798 571 C ATOM 576 O GLY A 74 108.854 30.600 3.261 1.00 15.83 O ANISOU 576 O GLY A 74 2299 1483 2234 235 791 604 O ATOM 0 H GLY A 74 112.155 28.202 2.709 1.00 24.32 H new ATOM 0 HA2 GLY A 74 111.516 30.244 2.505 1.00 22.52 H new ATOM 0 HA3 GLY A 74 110.448 29.765 1.475 1.00 22.52 H new ATOM 577 N ALA A 75 109.783 28.920 4.431 1.00 16.31 N ANISOU 577 N ALA A 75 2123 1615 2457 104 660 512 N ATOM 578 CA ALA A 75 108.881 29.011 5.586 1.00 19.60 C ANISOU 578 CA ALA A 75 2490 2099 2859 65 502 475 C ATOM 579 C ALA A 75 108.872 30.414 6.144 1.00 18.76 C ANISOU 579 C ALA A 75 2392 1925 2810 25 559 483 C ATOM 580 O ALA A 75 109.925 31.042 6.241 1.00 14.45 O ANISOU 580 O ALA A 75 1808 1291 2391 -40 678 491 O ATOM 581 CB ALA A 75 109.309 28.024 6.672 1.00 17.24 C ANISOU 581 CB ALA A 75 2040 1852 2657 -31 379 422 C ATOM 0 H ALA A 75 110.347 28.273 4.482 1.00 16.31 H new ATOM 0 HA ALA A 75 107.985 28.787 5.290 1.00 19.60 H new ATOM 0 HB1 ALA A 75 108.706 28.094 7.429 1.00 17.24 H new ATOM 0 HB2 ALA A 75 109.280 27.121 6.318 1.00 17.24 H new ATOM 0 HB3 ALA A 75 110.212 28.230 6.959 1.00 17.24 H new ATOM 582 N GLU A 76 107.684 30.906 6.497 1.00 15.84 N ANISOU 582 N GLU A 76 2068 1595 2354 62 479 475 N ATOM 583 CA GLU A 76 107.546 32.216 7.152 1.00 21.26 C ANISOU 583 CA GLU A 76 2763 2216 3098 24 523 469 C ATOM 584 C GLU A 76 107.276 31.988 8.626 1.00 15.16 C ANISOU 584 C GLU A 76 1870 1514 2379 -84 386 393 C ATOM 585 O GLU A 76 107.498 32.855 9.468 1.00 19.79 O ANISOU 585 O GLU A 76 2417 2053 3051 -166 413 363 O ATOM 586 CB GLU A 76 106.412 33.043 6.534 1.00 19.04 C ANISOU 586 CB GLU A 76 2620 1921 2695 151 541 511 C ATOM 587 CG GLU A 76 106.688 33.572 5.143 1.00 29.92 C ANISOU 587 CG GLU A 76 4145 3210 4015 252 692 599 C ATOM 588 CD GLU A 76 105.530 34.371 4.590 1.00 44.42 C ANISOU 588 CD GLU A 76 6114 5036 5728 390 687 648 C ATOM 589 OE1 GLU A 76 104.382 34.135 5.027 1.00 51.84 O ANISOU 589 OE1 GLU A 76 7024 6076 6596 431 544 608 O ATOM 590 OE2 GLU A 76 105.767 35.242 3.726 1.00 52.25 O ANISOU 590 OE2 GLU A 76 7238 5917 6695 458 826 729 O ATOM 0 H GLU A 76 106.939 30.496 6.366 1.00 15.84 H new ATOM 0 HA GLU A 76 108.368 32.716 7.028 1.00 21.26 H new ATOM 0 HB2 GLU A 76 105.611 32.497 6.504 1.00 19.04 H new ATOM 0 HB3 GLU A 76 106.222 33.793 7.119 1.00 19.04 H new ATOM 0 HG2 GLU A 76 107.482 34.129 5.163 1.00 29.92 H new ATOM 0 HG3 GLU A 76 106.878 32.829 4.549 1.00 29.92 H new ATOM 591 N TYR A 77 106.759 30.801 8.910 1.00 17.76 N ANISOU 591 N TYR A 77 2150 1954 2643 -87 243 362 N ATOM 592 CA TYR A 77 106.491 30.345 10.263 1.00 12.59 C ANISOU 592 CA TYR A 77 1391 1378 2015 -193 104 297 C ATOM 593 C TYR A 77 107.292 29.099 10.616 1.00 14.86 C ANISOU 593 C TYR A 77 1581 1703 2361 -262 32 286 C ATOM 594 O TYR A 77 107.434 28.175 9.816 1.00 15.53 O ANISOU 594 O TYR A 77 1689 1803 2409 -202 31 310 O ATOM 595 CB TYR A 77 104.999 30.050 10.431 1.00 10.53 C ANISOU 595 CB TYR A 77 1161 1219 1620 -144 -11 265 C ATOM 596 CG TYR A 77 104.148 31.293 10.350 1.00 19.05 C ANISOU 596 CG TYR A 77 2310 2268 2661 -79 36 264 C ATOM 597 CD1 TYR A 77 103.896 32.055 11.484 1.00 22.85 C ANISOU 597 CD1 TYR A 77 2747 2743 3194 -160 19 209 C ATOM 598 CD2 TYR A 77 103.598 31.709 9.145 1.00 18.51 C ANISOU 598 CD2 TYR A 77 2357 2176 2502 68 96 318 C ATOM 599 CE1 TYR A 77 103.113 33.185 11.422 1.00 15.72 C ANISOU 599 CE1 TYR A 77 1905 1801 2267 -91 67 203 C ATOM 600 CE2 TYR A 77 102.815 32.838 9.077 1.00 23.85 C ANISOU 600 CE2 TYR A 77 3095 2816 3149 143 131 325 C ATOM 601 CZ TYR A 77 102.580 33.572 10.221 1.00 20.28 C ANISOU 601 CZ TYR A 77 2591 2349 2765 66 121 265 C ATOM 602 OH TYR A 77 101.800 34.699 10.163 1.00 29.51 O ANISOU 602 OH TYR A 77 3822 3471 3919 151 162 267 O ATOM 0 H TYR A 77 106.550 30.225 8.306 1.00 17.76 H new ATOM 0 HA TYR A 77 106.761 31.056 10.865 1.00 12.59 H new ATOM 0 HB2 TYR A 77 104.717 29.424 9.745 1.00 10.53 H new ATOM 0 HB3 TYR A 77 104.853 29.617 11.287 1.00 10.53 H new ATOM 0 HD1 TYR A 77 104.263 31.797 12.299 1.00 22.85 H new ATOM 0 HD2 TYR A 77 103.761 31.217 8.373 1.00 18.51 H new ATOM 0 HE1 TYR A 77 102.947 33.682 12.190 1.00 15.72 H new ATOM 0 HE2 TYR A 77 102.447 33.104 8.266 1.00 23.85 H new ATOM 0 HH TYR A 77 101.541 34.821 9.373 1.00 29.51 H new ATOM 603 N ILE A 78 107.812 29.067 11.832 1.00 10.62 N ANISOU 603 N ILE A 78 939 1180 1914 -386 -32 249 N ATOM 604 CA ILE A 78 108.360 27.831 12.326 1.00 10.30 C ANISOU 604 CA ILE A 78 810 1187 1915 -443 -135 242 C ATOM 605 C ILE A 78 107.836 27.470 13.706 1.00 16.57 C ANISOU 605 C ILE A 78 1638 2077 2579 -459 -231 150 C ATOM 606 O ILE A 78 107.586 28.329 14.559 1.00 18.62 O ANISOU 606 O ILE A 78 1912 2352 2811 -493 -212 94 O ATOM 607 CB ILE A 78 109.908 27.865 12.355 1.00 13.07 C ANISOU 607 CB ILE A 78 1115 1491 2361 -456 -62 235 C ATOM 608 CG1 ILE A 78 110.424 28.842 13.411 1.00 16.67 C ANISOU 608 CG1 ILE A 78 1571 1959 2802 -518 -43 170 C ATOM 609 CG2 ILE A 78 110.451 28.184 10.969 1.00 19.75 C ANISOU 609 CG2 ILE A 78 1974 2236 3293 -402 99 300 C ATOM 610 CD1 ILE A 78 111.955 28.888 13.535 1.00 17.60 C ANISOU 610 CD1 ILE A 78 1634 2060 2995 -543 0 160 C ATOM 0 H ILE A 78 107.855 29.735 12.372 1.00 10.62 H new ATOM 0 HA ILE A 78 108.068 27.146 11.704 1.00 10.30 H new ATOM 0 HB ILE A 78 110.232 26.987 12.608 1.00 13.07 H new ATOM 0 HG12 ILE A 78 110.100 29.732 13.199 1.00 16.67 H new ATOM 0 HG13 ILE A 78 110.047 28.600 14.272 1.00 16.67 H new ATOM 0 HG21 ILE A 78 111.420 28.203 10.998 1.00 19.75 H new ATOM 0 HG22 ILE A 78 110.160 27.503 10.343 1.00 19.75 H new ATOM 0 HG23 ILE A 78 110.119 29.049 10.683 1.00 19.75 H new ATOM 0 HD11 ILE A 78 112.205 29.527 14.221 1.00 17.60 H new ATOM 0 HD12 ILE A 78 112.287 28.009 13.776 1.00 17.60 H new ATOM 0 HD13 ILE A 78 112.341 29.158 12.687 1.00 17.60 H new ATOM 611 N GLN A 79 107.666 26.171 13.902 1.00 17.54 N ANISOU 611 N GLN A 79 1863 2227 2576 170 -7 158 N ATOM 612 CA GLN A 79 107.405 25.635 15.215 1.00 11.21 C ANISOU 612 CA GLN A 79 1114 1421 1722 111 -66 117 C ATOM 613 C GLN A 79 108.647 24.939 15.717 1.00 13.85 C ANISOU 613 C GLN A 79 1428 1700 2132 18 -155 128 C ATOM 614 O GLN A 79 109.088 23.934 15.143 1.00 16.27 O ANISOU 614 O GLN A 79 1655 2038 2488 5 -168 149 O ATOM 615 CB GLN A 79 106.232 24.684 15.184 1.00 20.69 C ANISOU 615 CB GLN A 79 2283 2744 2835 138 -41 93 C ATOM 616 CG GLN A 79 105.942 24.092 16.532 1.00 23.83 C ANISOU 616 CG GLN A 79 2734 3142 3177 78 -98 56 C ATOM 617 CD GLN A 79 104.600 23.411 16.567 1.00 22.14 C ANISOU 617 CD GLN A 79 2504 3049 2861 107 -59 29 C ATOM 618 OE1 GLN A 79 103.600 23.952 16.085 1.00 20.50 O ANISOU 618 OE1 GLN A 79 2290 2915 2585 184 12 25 O ATOM 619 NE2 GLN A 79 104.566 22.217 17.132 1.00 27.83 N ANISOU 619 NE2 GLN A 79 3213 3795 3566 45 -102 14 N ATOM 0 H GLN A 79 107.699 25.582 13.277 1.00 17.54 H new ATOM 0 HA GLN A 79 107.176 26.359 15.818 1.00 11.21 H new ATOM 0 HB2 GLN A 79 105.446 25.154 14.864 1.00 20.69 H new ATOM 0 HB3 GLN A 79 106.413 23.971 14.552 1.00 20.69 H new ATOM 0 HG2 GLN A 79 106.635 23.453 16.760 1.00 23.83 H new ATOM 0 HG3 GLN A 79 105.968 24.791 17.204 1.00 23.83 H new ATOM 0 HE21 GLN A 79 105.285 21.874 17.456 1.00 27.83 H new ATOM 0 HE22 GLN A 79 103.825 21.783 17.175 1.00 27.83 H new ATOM 620 N VAL A 80 109.220 25.487 16.778 1.00 17.10 N ANISOU 620 N VAL A 80 1912 2034 2553 -46 -212 114 N ATOM 621 CA VAL A 80 110.469 24.962 17.307 1.00 23.54 C ANISOU 621 CA VAL A 80 2701 2808 3434 -135 -301 136 C ATOM 622 C VAL A 80 110.140 24.002 18.434 1.00 26.67 C ANISOU 622 C VAL A 80 3117 3244 3771 -180 -358 119 C ATOM 623 O VAL A 80 109.686 24.410 19.502 1.00 17.64 O ANISOU 623 O VAL A 80 2054 2094 2555 -208 -379 81 O ATOM 624 CB VAL A 80 111.381 26.070 17.796 1.00 22.96 C ANISOU 624 CB VAL A 80 2682 2644 3398 -196 -335 133 C ATOM 625 CG1 VAL A 80 112.649 25.488 18.423 1.00 20.49 C ANISOU 625 CG1 VAL A 80 2329 2318 3139 -291 -434 163 C ATOM 626 CG2 VAL A 80 111.711 27.014 16.643 1.00 20.31 C ANISOU 626 CG2 VAL A 80 2329 2262 3125 -152 -271 158 C ATOM 0 H VAL A 80 108.903 26.162 17.206 1.00 17.10 H new ATOM 0 HA VAL A 80 110.946 24.500 16.600 1.00 23.54 H new ATOM 0 HB VAL A 80 110.924 26.578 18.484 1.00 22.96 H new ATOM 0 HG11 VAL A 80 113.219 26.210 18.730 1.00 20.49 H new ATOM 0 HG12 VAL A 80 112.409 24.924 19.175 1.00 20.49 H new ATOM 0 HG13 VAL A 80 113.124 24.960 17.762 1.00 20.49 H new ATOM 0 HG21 VAL A 80 112.294 27.721 16.960 1.00 20.31 H new ATOM 0 HG22 VAL A 80 112.157 26.520 15.937 1.00 20.31 H new ATOM 0 HG23 VAL A 80 110.892 27.402 16.298 1.00 20.31 H new ATOM 627 N HIS A 81 110.367 22.718 18.177 1.00 24.48 N ANISOU 627 N HIS A 81 2767 3005 3527 -185 -377 147 N ATOM 628 CA HIS A 81 109.880 21.664 19.056 1.00 30.14 C ANISOU 628 CA HIS A 81 3497 3766 4189 -213 -411 139 C ATOM 629 C HIS A 81 111.065 20.983 19.697 1.00 30.47 C ANISOU 629 C HIS A 81 3506 3780 4291 -279 -496 187 C ATOM 630 O HIS A 81 111.106 19.766 19.809 1.00 35.42 O ANISOU 630 O HIS A 81 4096 4430 4934 -284 -509 215 O ATOM 631 CB HIS A 81 109.017 20.676 18.261 1.00 31.12 C ANISOU 631 CB HIS A 81 3572 3958 4292 -165 -346 130 C ATOM 632 CG HIS A 81 107.840 20.147 19.019 1.00 38.55 C ANISOU 632 CG HIS A 81 4557 4960 5129 -171 -337 94 C ATOM 633 ND1 HIS A 81 106.610 19.946 18.432 1.00 34.88 N ANISOU 633 ND1 HIS A 81 4082 4577 4596 -124 -262 60 N ATOM 634 CD2 HIS A 81 107.710 19.751 20.309 1.00 45.44 C ANISOU 634 CD2 HIS A 81 5479 5836 5951 -222 -394 92 C ATOM 635 CE1 HIS A 81 105.769 19.469 19.330 1.00 39.40 C ANISOU 635 CE1 HIS A 81 4695 5195 5081 -147 -271 35 C ATOM 636 NE2 HIS A 81 106.409 19.340 20.477 1.00 41.83 N ANISOU 636 NE2 HIS A 81 5042 5452 5398 -205 -350 54 N ATOM 0 H HIS A 81 110.805 22.436 17.493 1.00 24.48 H new ATOM 0 HA HIS A 81 109.321 22.037 19.756 1.00 30.14 H new ATOM 0 HB2 HIS A 81 108.701 21.113 17.455 1.00 31.12 H new ATOM 0 HB3 HIS A 81 109.571 19.931 17.981 1.00 31.12 H new ATOM 0 HD2 HIS A 81 108.376 19.756 20.958 1.00 45.44 H new ATOM 0 HE1 HIS A 81 104.876 19.259 19.180 1.00 39.40 H new ATOM 0 HE2 HIS A 81 106.068 19.047 21.210 1.00 41.83 H new ATOM 637 N SER A 82 112.037 21.802 20.090 1.00 35.52 N ANISOU 637 N SER A 82 4159 4372 4964 -329 -550 201 N ATOM 638 CA SER A 82 113.278 21.348 20.712 1.00 32.31 C ANISOU 638 CA SER A 82 3711 3955 4611 -394 -638 257 C ATOM 639 C SER A 82 113.736 22.404 21.702 1.00 37.01 C ANISOU 639 C SER A 82 4366 4528 5167 -473 -697 235 C ATOM 640 O SER A 82 113.272 23.538 21.657 1.00 36.96 O ANISOU 640 O SER A 82 4431 4490 5124 -469 -657 180 O ATOM 641 CB SER A 82 114.371 21.099 19.670 1.00 38.79 C ANISOU 641 CB SER A 82 4436 4753 5550 -376 -632 311 C ATOM 642 OG SER A 82 115.048 22.304 19.328 1.00 33.77 O ANISOU 642 OG SER A 82 3805 4075 4952 -401 -634 306 O ATOM 0 H SER A 82 111.992 22.656 20.000 1.00 35.52 H new ATOM 0 HA SER A 82 113.112 20.507 21.165 1.00 32.31 H new ATOM 0 HB2 SER A 82 115.009 20.455 20.015 1.00 38.79 H new ATOM 0 HB3 SER A 82 113.978 20.710 18.873 1.00 38.79 H new ATOM 0 HG SER A 82 115.219 22.306 18.506 1.00 33.77 H new ATOM 643 N ASP A 83 114.652 22.043 22.590 1.00 38.20 N ANISOU 643 N ASP A 83 4490 4699 5326 -545 -788 278 N ATOM 644 CA ASP A 83 115.136 22.988 23.584 1.00 36.46 C ANISOU 644 CA ASP A 83 4322 4474 5058 -640 -849 251 C ATOM 645 C ASP A 83 116.214 23.891 22.995 1.00 38.60 C ANISOU 645 C ASP A 83 4562 4700 5405 -678 -854 260 C ATOM 646 O ASP A 83 117.276 24.070 23.596 1.00 37.62 O ANISOU 646 O ASP A 83 4413 4598 5282 -755 -918 286 O ATOM 647 CB ASP A 83 115.683 22.252 24.814 1.00 43.80 C ANISOU 647 CB ASP A 83 5227 5468 5946 -704 -942 298 C ATOM 648 CG ASP A 83 114.819 21.065 25.231 1.00 54.33 C ANISOU 648 CG ASP A 83 6565 6844 7234 -664 -940 318 C ATOM 649 OD1 ASP A 83 113.659 20.957 24.764 1.00 58.97 O ANISOU 649 OD1 ASP A 83 7192 7419 7793 -599 -864 273 O ATOM 650 OD2 ASP A 83 115.310 20.246 26.043 1.00 55.99 O ANISOU 650 OD2 ASP A 83 6751 7101 7421 -676 -978 376 O ATOM 0 H ASP A 83 115.004 21.260 22.634 1.00 38.20 H new ATOM 0 HA ASP A 83 114.386 23.539 23.859 1.00 36.46 H new ATOM 0 HB2 ASP A 83 116.582 21.941 24.625 1.00 43.80 H new ATOM 0 HB3 ASP A 83 115.748 22.875 25.555 1.00 43.80 H new ATOM 651 N MET A 84 115.953 24.445 21.811 1.00 29.62 N ANISOU 651 N MET A 84 3426 3510 4317 -615 -772 243 N ATOM 652 CA MET A 84 116.943 25.287 21.164 1.00 21.39 C ANISOU 652 CA MET A 84 2355 2422 3352 -648 -767 256 C ATOM 653 C MET A 84 117.009 26.625 21.874 1.00 28.15 C ANISOU 653 C MET A 84 3309 3230 4156 -735 -773 191 C ATOM 654 O MET A 84 115.987 27.182 22.273 1.00 31.16 O ANISOU 654 O MET A 84 3794 3585 4462 -718 -727 124 O ATOM 655 CB MET A 84 116.636 25.483 19.674 1.00 17.56 C ANISOU 655 CB MET A 84 1841 1901 2930 -553 -673 264 C ATOM 656 CG MET A 84 117.756 26.186 18.916 1.00 22.27 C ANISOU 656 CG MET A 84 2389 2457 3616 -585 -669 294 C ATOM 657 SD MET A 84 117.516 26.175 17.127 1.00 32.50 S ANISOU 657 SD MET A 84 3625 3736 4985 -472 -567 321 S ATOM 658 CE MET A 84 115.856 26.818 17.010 1.00 21.45 C ANISOU 658 CE MET A 84 2333 2317 3498 -392 -474 258 C ATOM 0 H MET A 84 115.218 24.345 21.375 1.00 29.62 H new ATOM 0 HA MET A 84 117.804 24.845 21.223 1.00 21.39 H new ATOM 0 HB2 MET A 84 116.472 24.618 19.267 1.00 17.56 H new ATOM 0 HB3 MET A 84 115.819 25.998 19.583 1.00 17.56 H new ATOM 0 HG2 MET A 84 117.820 27.104 19.223 1.00 22.27 H new ATOM 0 HG3 MET A 84 118.600 25.757 19.126 1.00 22.27 H new ATOM 0 HE1 MET A 84 115.672 27.074 16.093 1.00 21.45 H new ATOM 0 HE2 MET A 84 115.224 26.136 17.288 1.00 21.45 H new ATOM 0 HE3 MET A 84 115.768 27.594 17.586 1.00 21.45 H new ATOM 659 N HIS A 85 118.229 27.123 22.030 1.00 27.60 N ANISOU 659 N HIS A 85 3207 3152 4128 -832 -826 209 N ATOM 660 CA HIS A 85 118.502 28.322 22.810 1.00 27.08 C ANISOU 660 CA HIS A 85 3230 3045 4014 -947 -841 143 C ATOM 661 C HIS A 85 117.718 29.510 22.274 1.00 34.40 C ANISOU 661 C HIS A 85 4266 3867 4937 -902 -731 78 C ATOM 662 O HIS A 85 117.580 29.669 21.058 1.00 35.90 O ANISOU 662 O HIS A 85 4428 4016 5196 -814 -659 107 O ATOM 663 CB HIS A 85 120.005 28.617 22.801 1.00 31.77 C ANISOU 663 CB HIS A 85 3761 3671 4640 -1014 -870 174 C ATOM 664 CG HIS A 85 120.451 29.541 23.893 1.00 39.71 C ANISOU 664 CG HIS A 85 4837 4679 5570 -1140 -894 105 C ATOM 665 ND1 HIS A 85 120.429 30.914 23.766 1.00 35.49 N ANISOU 665 ND1 HIS A 85 4397 4043 5045 -1210 -841 34 N ATOM 666 CD2 HIS A 85 120.946 29.288 25.129 1.00 46.28 C ANISOU 666 CD2 HIS A 85 5660 5605 6319 -1209 -957 97 C ATOM 667 CE1 HIS A 85 120.884 31.466 24.877 1.00 42.07 C ANISOU 667 CE1 HIS A 85 5275 4908 5802 -1320 -868 -26 C ATOM 668 NE2 HIS A 85 121.205 30.502 25.719 1.00 48.61 N ANISOU 668 NE2 HIS A 85 6037 5862 6572 -1322 -942 13 N ATOM 0 H HIS A 85 118.931 26.769 21.681 1.00 27.60 H new ATOM 0 HA HIS A 85 118.217 28.168 23.724 1.00 27.08 H new ATOM 0 HB2 HIS A 85 120.490 27.781 22.879 1.00 31.77 H new ATOM 0 HB3 HIS A 85 120.244 29.004 21.944 1.00 31.77 H new ATOM 0 HD2 HIS A 85 121.085 28.450 25.507 1.00 46.28 H new ATOM 0 HE1 HIS A 85 120.964 32.378 25.038 1.00 42.07 H new ATOM 0 HE2 HIS A 85 121.525 30.615 26.509 1.00 48.61 H new ATOM 669 N PRO A 86 117.183 30.339 23.185 1.00 36.75 N ANISOU 669 N PRO A 86 4688 4124 5151 -957 -713 -7 N ATOM 670 CA PRO A 86 116.469 31.564 22.820 1.00 37.99 C ANISOU 670 CA PRO A 86 4962 4168 5303 -916 -601 -67 C ATOM 671 C PRO A 86 117.254 32.442 21.842 1.00 35.78 C ANISOU 671 C PRO A 86 4671 3803 5120 -934 -552 -46 C ATOM 672 O PRO A 86 116.668 33.071 20.957 1.00 39.07 O ANISOU 672 O PRO A 86 5130 4145 5570 -839 -448 -44 O ATOM 673 CB PRO A 86 116.294 32.270 24.166 1.00 37.41 C ANISOU 673 CB PRO A 86 5009 4071 5135 -1026 -617 -161 C ATOM 674 CG PRO A 86 116.214 31.164 25.145 1.00 38.05 C ANISOU 674 CG PRO A 86 5043 4272 5142 -1058 -715 -148 C ATOM 675 CD PRO A 86 117.147 30.096 24.639 1.00 38.37 C ANISOU 675 CD PRO A 86 4931 4391 5256 -1052 -791 -47 C ATOM 0 HA PRO A 86 115.636 31.378 22.359 1.00 37.99 H new ATOM 0 HB2 PRO A 86 117.040 32.860 24.357 1.00 37.41 H new ATOM 0 HB3 PRO A 86 115.491 32.815 24.179 1.00 37.41 H new ATOM 0 HG2 PRO A 86 116.476 31.463 26.030 1.00 38.05 H new ATOM 0 HG3 PRO A 86 115.307 30.828 25.216 1.00 38.05 H new ATOM 0 HD2 PRO A 86 118.028 30.173 25.037 1.00 38.37 H new ATOM 0 HD3 PRO A 86 116.819 29.207 24.845 1.00 38.37 H new ATOM 676 N LYS A 87 118.570 32.483 22.003 1.00 26.18 N ANISOU 676 N LYS A 87 3393 2609 3946 -1056 -627 -23 N ATOM 677 CA LYS A 87 119.405 33.318 21.145 1.00 23.05 C ANISOU 677 CA LYS A 87 2982 2138 3638 -1093 -586 -3 C ATOM 678 C LYS A 87 119.480 32.763 19.724 1.00 27.46 C ANISOU 678 C LYS A 87 3433 2715 4286 -970 -551 85 C ATOM 679 O LYS A 87 119.568 33.519 18.752 1.00 28.54 O ANISOU 679 O LYS A 87 3584 2773 4486 -933 -470 102 O ATOM 680 CB LYS A 87 120.799 33.460 21.741 1.00 29.96 C ANISOU 680 CB LYS A 87 3805 3069 4509 -1241 -663 -6 C ATOM 681 CG LYS A 87 120.799 34.304 22.999 1.00 35.13 C ANISOU 681 CG LYS A 87 4572 3701 5074 -1360 -662 -109 C ATOM 682 CD LYS A 87 121.493 35.628 22.769 1.00 44.99 C ANISOU 682 CD LYS A 87 5877 4855 6362 -1446 -595 -155 C ATOM 683 CE LYS A 87 121.390 36.531 23.990 1.00 50.73 C ANISOU 683 CE LYS A 87 6723 5546 7008 -1554 -579 -269 C ATOM 684 NZ LYS A 87 120.046 37.178 24.107 1.00 47.88 N ANISOU 684 NZ LYS A 87 6527 5050 6617 -1507 -490 -336 N ATOM 0 H LYS A 87 119.000 32.038 22.600 1.00 26.18 H new ATOM 0 HA LYS A 87 118.996 34.196 21.094 1.00 23.05 H new ATOM 0 HB2 LYS A 87 121.154 32.580 21.944 1.00 29.96 H new ATOM 0 HB3 LYS A 87 121.391 33.860 21.085 1.00 29.96 H new ATOM 0 HG2 LYS A 87 119.886 34.460 23.287 1.00 35.13 H new ATOM 0 HG3 LYS A 87 121.244 33.823 23.714 1.00 35.13 H new ATOM 0 HD2 LYS A 87 122.427 35.473 22.558 1.00 44.99 H new ATOM 0 HD3 LYS A 87 121.099 36.072 22.002 1.00 44.99 H new ATOM 0 HE2 LYS A 87 121.567 36.011 24.790 1.00 50.73 H new ATOM 0 HE3 LYS A 87 122.074 37.217 23.941 1.00 50.73 H new ATOM 0 HZ1 LYS A 87 120.027 37.695 24.831 1.00 47.88 H new ATOM 0 HZ2 LYS A 87 119.891 37.674 23.384 1.00 47.88 H new ATOM 0 HZ3 LYS A 87 119.419 36.550 24.176 1.00 47.88 H new ATOM 685 N ALA A 88 119.425 31.443 19.612 1.00 25.64 N ANISOU 685 N ALA A 88 3097 2586 4058 -908 -605 139 N ATOM 686 CA ALA A 88 119.425 30.776 18.314 1.00 27.27 C ANISOU 686 CA ALA A 88 3201 2822 4337 -794 -570 211 C ATOM 687 C ALA A 88 118.097 31.006 17.607 1.00 24.07 C ANISOU 687 C ALA A 88 2853 2383 3911 -658 -462 196 C ATOM 688 O ALA A 88 118.054 31.223 16.398 1.00 22.31 O ANISOU 688 O ALA A 88 2593 2140 3745 -581 -393 235 O ATOM 689 CB ALA A 88 119.689 29.295 18.482 1.00 30.82 C ANISOU 689 CB ALA A 88 3540 3378 4793 -771 -646 264 C ATOM 0 H ALA A 88 119.387 30.908 20.284 1.00 25.64 H new ATOM 0 HA ALA A 88 120.134 31.152 17.770 1.00 27.27 H new ATOM 0 HB1 ALA A 88 119.686 28.865 17.613 1.00 30.82 H new ATOM 0 HB2 ALA A 88 120.553 29.166 18.903 1.00 30.82 H new ATOM 0 HB3 ALA A 88 118.997 28.904 19.038 1.00 30.82 H new ATOM 690 N VAL A 89 117.014 30.933 18.375 1.00 21.70 N ANISOU 690 N VAL A 89 2635 2090 3521 -629 -450 144 N ATOM 691 CA VAL A 89 115.692 31.309 17.889 1.00 19.81 C ANISOU 691 CA VAL A 89 2458 1825 3242 -508 -348 124 C ATOM 692 C VAL A 89 115.671 32.741 17.354 1.00 18.71 C ANISOU 692 C VAL A 89 2400 1573 3137 -494 -253 114 C ATOM 693 O VAL A 89 115.258 32.975 16.222 1.00 18.95 O ANISOU 693 O VAL A 89 2406 1595 3199 -388 -171 156 O ATOM 694 CB VAL A 89 114.634 31.181 19.005 1.00 22.76 C ANISOU 694 CB VAL A 89 2919 2220 3508 -500 -353 62 C ATOM 695 CG1 VAL A 89 113.270 31.660 18.513 1.00 25.69 C ANISOU 695 CG1 VAL A 89 3351 2575 3837 -371 -242 47 C ATOM 696 CG2 VAL A 89 114.559 29.752 19.487 1.00 20.21 C ANISOU 696 CG2 VAL A 89 2522 2003 3153 -505 -434 80 C ATOM 0 H VAL A 89 117.026 30.664 19.192 1.00 21.70 H new ATOM 0 HA VAL A 89 115.480 30.699 17.165 1.00 19.81 H new ATOM 0 HB VAL A 89 114.898 31.744 19.749 1.00 22.76 H new ATOM 0 HG11 VAL A 89 112.619 31.572 19.227 1.00 25.69 H new ATOM 0 HG12 VAL A 89 113.331 32.590 18.244 1.00 25.69 H new ATOM 0 HG13 VAL A 89 112.992 31.122 17.755 1.00 25.69 H new ATOM 0 HG21 VAL A 89 113.892 29.681 20.188 1.00 20.21 H new ATOM 0 HG22 VAL A 89 114.314 29.173 18.748 1.00 20.21 H new ATOM 0 HG23 VAL A 89 115.423 29.482 19.835 1.00 20.21 H new ATOM 697 N ASN A 90 116.104 33.697 18.171 1.00 22.32 N ANISOU 697 N ASN A 90 2955 1944 3583 -603 -260 59 N ATOM 698 CA ASN A 90 116.185 35.080 17.723 1.00 23.11 C ANISOU 698 CA ASN A 90 3142 1915 3723 -604 -163 49 C ATOM 699 C ASN A 90 117.028 35.207 16.464 1.00 23.04 C ANISOU 699 C ASN A 90 3044 1894 3815 -590 -143 125 C ATOM 700 O ASN A 90 116.702 35.994 15.578 1.00 23.07 O ANISOU 700 O ASN A 90 3082 1829 3856 -510 -40 155 O ATOM 701 CB ASN A 90 116.743 35.982 18.826 1.00 27.00 C ANISOU 701 CB ASN A 90 3746 2320 4194 -758 -183 -30 C ATOM 702 CG ASN A 90 115.852 36.017 20.039 1.00 34.28 C ANISOU 702 CG ASN A 90 4770 3244 5011 -768 -185 -112 C ATOM 703 OD1 ASN A 90 114.811 35.347 20.073 1.00 29.40 O ANISOU 703 OD1 ASN A 90 4137 2696 4338 -658 -175 -105 O ATOM 704 ND2 ASN A 90 116.249 36.788 21.051 1.00 36.92 N ANISOU 704 ND2 ASN A 90 5207 3508 5311 -907 -196 -195 N ATOM 0 H ASN A 90 116.354 33.565 18.983 1.00 22.32 H new ATOM 0 HA ASN A 90 115.283 35.369 17.514 1.00 23.11 H new ATOM 0 HB2 ASN A 90 117.624 35.668 19.083 1.00 27.00 H new ATOM 0 HB3 ASN A 90 116.852 36.882 18.481 1.00 27.00 H new ATOM 0 HD21 ASN A 90 115.775 36.835 21.767 1.00 36.92 H new ATOM 0 HD22 ASN A 90 116.979 37.238 20.988 1.00 36.92 H new ATOM 705 N ARG A 91 118.112 34.440 16.379 1.00 18.81 N ANISOU 705 N ARG A 91 2392 1430 3324 -663 -237 162 N ATOM 706 CA ARG A 91 118.919 34.477 15.167 1.00 18.69 C ANISOU 706 CA ARG A 91 2281 1418 3402 -647 -218 235 C ATOM 707 C ARG A 91 118.090 34.112 13.943 1.00 17.72 C ANISOU 707 C ARG A 91 2104 1338 3290 -485 -142 289 C ATOM 708 O ARG A 91 118.153 34.786 12.917 1.00 17.90 O ANISOU 708 O ARG A 91 2124 1315 3364 -433 -62 334 O ATOM 709 CB ARG A 91 120.125 33.548 15.281 1.00 25.92 C ANISOU 709 CB ARG A 91 3067 2422 4359 -730 -329 272 C ATOM 710 CG ARG A 91 121.332 34.186 15.963 1.00 32.68 C ANISOU 710 CG ARG A 91 3939 3241 5235 -902 -387 248 C ATOM 711 CD ARG A 91 122.583 33.405 15.620 1.00 35.31 C ANISOU 711 CD ARG A 91 4129 3687 5602 -927 -455 306 C ATOM 712 NE ARG A 91 122.848 33.446 14.185 1.00 32.09 N ANISOU 712 NE ARG A 91 3647 3274 5271 -847 -395 372 N ATOM 713 CZ ARG A 91 123.780 32.729 13.566 1.00 29.93 C ANISOU 713 CZ ARG A 91 3253 3097 5021 -818 -424 425 C ATOM 714 NH1 ARG A 91 124.553 31.898 14.252 1.00 34.08 N ANISOU 714 NH1 ARG A 91 3719 3724 5506 -850 -507 430 N ATOM 715 NH2 ARG A 91 123.935 32.846 12.255 1.00 26.78 N ANISOU 715 NH2 ARG A 91 2799 2693 4685 -747 -363 477 N ATOM 0 H ARG A 91 118.390 33.906 16.993 1.00 18.81 H new ATOM 0 HA ARG A 91 119.240 35.386 15.060 1.00 18.69 H new ATOM 0 HB2 ARG A 91 119.866 32.755 15.776 1.00 25.92 H new ATOM 0 HB3 ARG A 91 120.383 33.256 14.393 1.00 25.92 H new ATOM 0 HG2 ARG A 91 121.427 35.108 15.676 1.00 32.68 H new ATOM 0 HG3 ARG A 91 121.202 34.200 16.924 1.00 32.68 H new ATOM 0 HD2 ARG A 91 123.340 33.772 16.103 1.00 35.31 H new ATOM 0 HD3 ARG A 91 122.483 32.484 15.908 1.00 35.31 H new ATOM 0 HE ARG A 91 122.366 33.972 13.705 1.00 32.09 H new ATOM 0 HH11 ARG A 91 124.453 31.821 15.103 1.00 34.08 H new ATOM 0 HH12 ARG A 91 125.155 31.436 13.846 1.00 34.08 H new ATOM 0 HH21 ARG A 91 123.434 33.384 11.809 1.00 26.78 H new ATOM 0 HH22 ARG A 91 124.537 32.384 11.850 1.00 26.78 H new ATOM 716 N LEU A 92 117.317 33.036 14.045 1.00 18.50 N ANISOU 716 N LEU A 92 2160 1534 3337 -410 -166 287 N ATOM 717 CA LEU A 92 116.461 32.633 12.939 1.00 24.27 C ANISOU 717 CA LEU A 92 2836 2327 4060 -268 -96 328 C ATOM 718 C LEU A 92 115.462 33.715 12.615 1.00 25.07 C ANISOU 718 C LEU A 92 3031 2364 4128 -178 16 325 C ATOM 719 O LEU A 92 115.124 33.928 11.452 1.00 23.47 O ANISOU 719 O LEU A 92 2787 2185 3944 -79 93 380 O ATOM 720 CB LEU A 92 115.730 31.337 13.265 1.00 17.57 C ANISOU 720 CB LEU A 92 1941 1586 3149 -223 -137 312 C ATOM 721 CG LEU A 92 116.633 30.106 13.267 1.00 17.34 C ANISOU 721 CG LEU A 92 1799 1627 3164 -273 -224 338 C ATOM 722 CD1 LEU A 92 115.961 28.959 13.986 1.00 18.95 C ANISOU 722 CD1 LEU A 92 1994 1904 3302 -259 -270 310 C ATOM 723 CD2 LEU A 92 116.996 29.699 11.853 1.00 16.00 C ANISOU 723 CD2 LEU A 92 1517 1505 3059 -213 -186 396 C ATOM 0 H LEU A 92 117.274 32.531 14.740 1.00 18.50 H new ATOM 0 HA LEU A 92 117.026 32.486 12.165 1.00 24.27 H new ATOM 0 HB2 LEU A 92 115.311 31.422 14.136 1.00 17.57 H new ATOM 0 HB3 LEU A 92 115.019 31.205 12.619 1.00 17.57 H new ATOM 0 HG LEU A 92 117.450 30.333 13.738 1.00 17.34 H new ATOM 0 HD11 LEU A 92 116.546 28.185 13.979 1.00 18.95 H new ATOM 0 HD12 LEU A 92 115.776 29.216 14.903 1.00 18.95 H new ATOM 0 HD13 LEU A 92 115.129 28.739 13.538 1.00 18.95 H new ATOM 0 HD21 LEU A 92 117.569 28.917 11.878 1.00 16.00 H new ATOM 0 HD22 LEU A 92 116.188 29.492 11.358 1.00 16.00 H new ATOM 0 HD23 LEU A 92 117.464 30.428 11.416 1.00 16.00 H new ATOM 724 N LYS A 93 114.979 34.397 13.649 1.00 25.33 N ANISOU 724 N LYS A 93 3191 2323 4109 -207 30 264 N ATOM 725 CA LYS A 93 113.993 35.452 13.462 1.00 17.42 C ANISOU 725 CA LYS A 93 2290 1251 3077 -112 146 262 C ATOM 726 C LYS A 93 114.602 36.651 12.734 1.00 20.06 C ANISOU 726 C LYS A 93 2663 1469 3491 -119 223 304 C ATOM 727 O LYS A 93 114.035 37.157 11.770 1.00 18.38 O ANISOU 727 O LYS A 93 2447 1249 3287 0 322 364 O ATOM 728 CB LYS A 93 113.424 35.884 14.809 1.00 18.01 C ANISOU 728 CB LYS A 93 2497 1266 3081 -152 146 178 C ATOM 729 CG LYS A 93 112.344 34.920 15.357 1.00 24.83 C ANISOU 729 CG LYS A 93 3343 2243 3849 -93 115 149 C ATOM 730 CD LYS A 93 112.142 35.101 16.859 1.00 24.26 C ANISOU 730 CD LYS A 93 3378 2130 3709 -177 77 60 C ATOM 731 CE LYS A 93 111.741 36.512 17.191 1.00 24.40 C ANISOU 731 CE LYS A 93 3545 2010 3718 -161 179 21 C ATOM 732 NZ LYS A 93 111.967 36.758 18.642 1.00 31.00 N ANISOU 732 NZ LYS A 93 4481 2793 4504 -290 129 -75 N ATOM 0 H LYS A 93 115.210 34.263 14.466 1.00 25.33 H new ATOM 0 HA LYS A 93 113.274 35.101 12.913 1.00 17.42 H new ATOM 0 HB2 LYS A 93 114.147 35.949 15.452 1.00 18.01 H new ATOM 0 HB3 LYS A 93 113.042 36.771 14.722 1.00 18.01 H new ATOM 0 HG2 LYS A 93 111.505 35.076 14.896 1.00 24.83 H new ATOM 0 HG3 LYS A 93 112.603 34.004 15.172 1.00 24.83 H new ATOM 0 HD2 LYS A 93 111.460 34.487 17.172 1.00 24.26 H new ATOM 0 HD3 LYS A 93 112.962 34.877 17.327 1.00 24.26 H new ATOM 0 HE2 LYS A 93 112.258 37.139 16.661 1.00 24.40 H new ATOM 0 HE3 LYS A 93 110.808 36.655 16.969 1.00 24.40 H new ATOM 0 HZ1 LYS A 93 111.599 37.535 18.872 1.00 31.00 H new ATOM 0 HZ2 LYS A 93 111.596 36.103 19.116 1.00 31.00 H new ATOM 0 HZ3 LYS A 93 112.841 36.784 18.806 1.00 31.00 H new ATOM 733 N ASP A 94 115.772 37.083 13.192 1.00 20.66 N ANISOU 733 N ASP A 94 2768 1462 3620 -264 177 278 N ATOM 734 CA ASP A 94 116.429 38.263 12.625 1.00 20.09 C ANISOU 734 CA ASP A 94 2745 1265 3624 -298 250 310 C ATOM 735 C ASP A 94 116.985 38.040 11.227 1.00 26.37 C ANISOU 735 C ASP A 94 3416 2113 4490 -250 266 404 C ATOM 736 O ASP A 94 117.013 38.957 10.403 1.00 23.78 O ANISOU 736 O ASP A 94 3117 1708 4209 -202 363 459 O ATOM 737 CB ASP A 94 117.559 38.725 13.541 1.00 21.10 C ANISOU 737 CB ASP A 94 2929 1309 3780 -487 190 248 C ATOM 738 CG ASP A 94 117.057 39.272 14.835 1.00 32.88 C ANISOU 738 CG ASP A 94 4567 2720 5206 -544 202 151 C ATOM 739 OD1 ASP A 94 115.974 39.899 14.820 1.00 34.12 O ANISOU 739 OD1 ASP A 94 4824 2812 5330 -434 307 142 O ATOM 740 OD2 ASP A 94 117.740 39.072 15.861 1.00 35.81 O ANISOU 740 OD2 ASP A 94 4950 3103 5555 -695 109 87 O ATOM 0 H ASP A 94 116.206 36.708 13.833 1.00 20.66 H new ATOM 0 HA ASP A 94 115.741 38.943 12.554 1.00 20.09 H new ATOM 0 HB2 ASP A 94 118.154 37.979 13.717 1.00 21.10 H new ATOM 0 HB3 ASP A 94 118.082 39.404 13.087 1.00 21.10 H new ATOM 741 N GLU A 95 117.444 36.825 10.966 1.00 22.04 N ANISOU 741 N GLU A 95 2732 1694 3950 -265 177 424 N ATOM 742 CA GLU A 95 118.172 36.548 9.744 1.00 25.56 C ANISOU 742 CA GLU A 95 3054 2192 4464 -247 180 501 C ATOM 743 C GLU A 95 117.291 35.990 8.638 1.00 29.22 C ANISOU 743 C GLU A 95 3435 2766 4900 -92 234 557 C ATOM 744 O GLU A 95 117.654 36.028 7.462 1.00 26.65 O ANISOU 744 O GLU A 95 3028 2476 4621 -51 273 626 O ATOM 745 CB GLU A 95 119.328 35.599 10.048 1.00 22.79 C ANISOU 745 CB GLU A 95 2599 1911 4149 -357 61 494 C ATOM 746 CG GLU A 95 120.384 36.273 10.926 1.00 27.73 C ANISOU 746 CG GLU A 95 3283 2447 4807 -523 12 454 C ATOM 747 CD GLU A 95 121.327 35.310 11.608 1.00 37.53 C ANISOU 747 CD GLU A 95 4435 3771 6054 -629 -116 440 C ATOM 748 OE1 GLU A 95 121.844 34.407 10.923 1.00 38.05 O ANISOU 748 OE1 GLU A 95 4367 3931 6161 -600 -152 493 O ATOM 749 OE2 GLU A 95 121.573 35.477 12.829 1.00 40.81 O ANISOU 749 OE2 GLU A 95 4913 4160 6432 -742 -177 378 O ATOM 0 H GLU A 95 117.343 36.147 11.486 1.00 22.04 H new ATOM 0 HA GLU A 95 118.515 37.392 9.411 1.00 25.56 H new ATOM 0 HB2 GLU A 95 118.990 34.807 10.495 1.00 22.79 H new ATOM 0 HB3 GLU A 95 119.734 35.305 9.218 1.00 22.79 H new ATOM 0 HG2 GLU A 95 120.902 36.885 10.380 1.00 27.73 H new ATOM 0 HG3 GLU A 95 119.936 36.805 11.602 1.00 27.73 H new ATOM 750 N TYR A 96 116.113 35.507 9.004 1.00 23.00 N ANISOU 750 N TYR A 96 2669 2041 4029 -12 241 526 N ATOM 751 CA TYR A 96 115.251 34.860 8.025 1.00 21.39 C ANISOU 751 CA TYR A 96 2377 1968 3783 117 284 568 C ATOM 752 C TYR A 96 113.820 35.379 8.044 1.00 18.07 C ANISOU 752 C TYR A 96 2027 1555 3283 240 371 571 C ATOM 753 O TYR A 96 113.050 35.086 7.139 1.00 20.52 O ANISOU 753 O TYR A 96 2268 1979 3551 352 423 617 O ATOM 754 CB TYR A 96 115.258 33.357 8.245 1.00 22.76 C ANISOU 754 CB TYR A 96 2458 2261 3929 96 198 536 C ATOM 755 CG TYR A 96 116.537 32.729 7.813 1.00 27.80 C ANISOU 755 CG TYR A 96 2992 2926 4645 23 138 560 C ATOM 756 CD1 TYR A 96 116.751 32.435 6.482 1.00 21.99 C ANISOU 756 CD1 TYR A 96 2149 2266 3941 78 177 617 C ATOM 757 CD2 TYR A 96 117.540 32.434 8.732 1.00 30.25 C ANISOU 757 CD2 TYR A 96 3304 3195 4993 -100 43 529 C ATOM 758 CE1 TYR A 96 117.915 31.865 6.071 1.00 28.44 C ANISOU 758 CE1 TYR A 96 2869 3108 4830 19 131 640 C ATOM 759 CE2 TYR A 96 118.726 31.859 8.329 1.00 27.47 C ANISOU 759 CE2 TYR A 96 2847 2875 4714 -156 -8 560 C ATOM 760 CZ TYR A 96 118.907 31.578 6.991 1.00 29.45 C ANISOU 760 CZ TYR A 96 2998 3192 5001 -94 39 614 C ATOM 761 OH TYR A 96 120.065 30.996 6.554 1.00 32.01 O ANISOU 761 OH TYR A 96 3215 3550 5396 -141 -3 645 O ATOM 0 H TYR A 96 115.796 35.542 9.803 1.00 23.00 H new ATOM 0 HA TYR A 96 115.613 35.075 7.151 1.00 21.39 H new ATOM 0 HB2 TYR A 96 115.109 33.169 9.185 1.00 22.76 H new ATOM 0 HB3 TYR A 96 114.522 32.957 7.756 1.00 22.76 H new ATOM 0 HD1 TYR A 96 116.090 32.629 5.857 1.00 21.99 H new ATOM 0 HD2 TYR A 96 117.408 32.628 9.632 1.00 30.25 H new ATOM 0 HE1 TYR A 96 118.044 31.668 5.171 1.00 28.44 H new ATOM 0 HE2 TYR A 96 119.392 31.664 8.948 1.00 27.47 H new ATOM 0 HH TYR A 96 119.905 30.531 5.873 1.00 32.01 H new ATOM 762 N GLY A 97 113.483 36.170 9.059 1.00 19.38 N ANISOU 762 N GLY A 97 2328 1610 3427 218 391 524 N ATOM 763 CA GLY A 97 112.170 36.782 9.139 1.00 21.24 C ANISOU 763 CA GLY A 97 2638 1838 3593 341 484 531 C ATOM 764 C GLY A 97 111.081 35.770 9.423 1.00 18.28 C ANISOU 764 C GLY A 97 2218 1607 3120 401 456 500 C ATOM 765 O GLY A 97 109.952 35.906 8.948 1.00 23.54 O ANISOU 765 O GLY A 97 2871 2351 3722 531 531 536 O ATOM 0 H GLY A 97 114.007 36.363 9.713 1.00 19.38 H new ATOM 0 HA2 GLY A 97 112.172 37.456 9.836 1.00 21.24 H new ATOM 0 HA3 GLY A 97 111.976 37.237 8.305 1.00 21.24 H new ATOM 766 N VAL A 98 111.410 34.761 10.207 1.00 15.80 N ANISOU 766 N VAL A 98 1878 1333 2791 307 351 437 N ATOM 767 CA VAL A 98 110.424 33.750 10.552 1.00 15.03 C ANISOU 767 CA VAL A 98 1744 1363 2603 347 323 403 C ATOM 768 C VAL A 98 109.773 34.122 11.864 1.00 20.45 C ANISOU 768 C VAL A 98 2551 1991 3227 333 322 336 C ATOM 769 O VAL A 98 110.417 34.714 12.741 1.00 21.12 O ANISOU 769 O VAL A 98 2731 1951 3345 239 295 292 O ATOM 770 CB VAL A 98 111.037 32.310 10.659 1.00 18.48 C ANISOU 770 CB VAL A 98 2083 1883 3055 265 219 379 C ATOM 771 CG1 VAL A 98 111.507 31.823 9.300 1.00 15.84 C ANISOU 771 CG1 VAL A 98 1623 1627 2769 292 233 437 C ATOM 772 CG2 VAL A 98 112.168 32.244 11.702 1.00 16.50 C ANISOU 772 CG2 VAL A 98 1874 1540 2855 124 125 337 C ATOM 0 H VAL A 98 112.190 34.641 10.548 1.00 15.80 H new ATOM 0 HA VAL A 98 109.770 33.726 9.836 1.00 15.03 H new ATOM 0 HB VAL A 98 110.335 31.715 10.966 1.00 18.48 H new ATOM 0 HG11 VAL A 98 111.882 30.933 9.387 1.00 15.84 H new ATOM 0 HG12 VAL A 98 110.755 31.798 8.687 1.00 15.84 H new ATOM 0 HG13 VAL A 98 112.184 32.426 8.956 1.00 15.84 H new ATOM 0 HG21 VAL A 98 112.521 31.341 11.740 1.00 16.50 H new ATOM 0 HG22 VAL A 98 112.876 32.858 11.451 1.00 16.50 H new ATOM 0 HG23 VAL A 98 111.820 32.491 12.573 1.00 16.50 H new ATOM 773 N SER A 99 108.491 33.790 11.981 1.00 23.08 N ANISOU 773 N SER A 99 2879 2424 3466 422 355 325 N ATOM 774 CA SER A 99 107.761 33.939 13.231 1.00 18.33 C ANISOU 774 CA SER A 99 2377 1797 2791 414 351 259 C ATOM 775 C SER A 99 107.753 32.594 13.916 1.00 23.70 C ANISOU 775 C SER A 99 3008 2567 3428 338 250 210 C ATOM 776 O SER A 99 107.653 31.569 13.252 1.00 17.69 O ANISOU 776 O SER A 99 2137 1924 2659 353 226 233 O ATOM 777 CB SER A 99 106.348 34.451 12.977 1.00 19.93 C ANISOU 777 CB SER A 99 2603 2057 2914 562 456 284 C ATOM 778 OG SER A 99 106.437 35.721 12.353 1.00 26.25 O ANISOU 778 OG SER A 99 3453 2757 3763 636 555 342 O ATOM 0 H SER A 99 108.021 33.471 11.335 1.00 23.08 H new ATOM 0 HA SER A 99 108.191 34.595 13.802 1.00 18.33 H new ATOM 0 HB2 SER A 99 105.861 33.831 12.412 1.00 19.93 H new ATOM 0 HB3 SER A 99 105.859 34.519 13.812 1.00 19.93 H new ATOM 0 HG SER A 99 106.496 35.621 11.521 1.00 26.25 H new ATOM 779 N VAL A 100 107.863 32.587 15.238 1.00 17.82 N ANISOU 779 N VAL A 100 2348 1768 2656 254 195 142 N ATOM 780 CA VAL A 100 108.098 31.329 15.926 1.00 19.36 C ANISOU 780 CA VAL A 100 2498 2031 2827 168 92 109 C ATOM 781 C VAL A 100 106.995 30.941 16.888 1.00 16.66 C ANISOU 781 C VAL A 100 2200 1752 2377 185 87 58 C ATOM 782 O VAL A 100 106.505 31.756 17.672 1.00 17.35 O ANISOU 782 O VAL A 100 2395 1780 2418 195 124 16 O ATOM 783 CB VAL A 100 109.434 31.361 16.709 1.00 16.76 C ANISOU 783 CB VAL A 100 2198 1612 2557 26 1 83 C ATOM 784 CG1 VAL A 100 109.626 30.073 17.478 1.00 22.05 C ANISOU 784 CG1 VAL A 100 2823 2355 3198 -48 -100 63 C ATOM 785 CG2 VAL A 100 110.601 31.570 15.741 1.00 14.69 C ANISOU 785 CG2 VAL A 100 1872 1306 2402 0 -4 137 C ATOM 0 H VAL A 100 107.806 33.281 15.743 1.00 17.82 H new ATOM 0 HA VAL A 100 108.127 30.663 15.221 1.00 19.36 H new ATOM 0 HB VAL A 100 109.407 32.098 17.339 1.00 16.76 H new ATOM 0 HG11 VAL A 100 110.465 30.107 17.963 1.00 22.05 H new ATOM 0 HG12 VAL A 100 108.895 29.959 18.106 1.00 22.05 H new ATOM 0 HG13 VAL A 100 109.641 29.326 16.860 1.00 22.05 H new ATOM 0 HG21 VAL A 100 111.434 31.589 16.238 1.00 14.69 H new ATOM 0 HG22 VAL A 100 110.624 30.843 15.100 1.00 14.69 H new ATOM 0 HG23 VAL A 100 110.486 32.411 15.272 1.00 14.69 H new ATOM 786 N MET A 101 106.610 29.675 16.817 1.00 13.39 N ANISOU 786 N MET A 101 1706 1457 1925 183 47 60 N ATOM 787 CA MET A 101 105.891 29.085 17.915 1.00 18.24 C ANISOU 787 CA MET A 101 2357 2126 2449 156 12 11 C ATOM 788 C MET A 101 106.849 28.101 18.569 1.00 20.38 C ANISOU 788 C MET A 101 2598 2390 2754 38 -98 3 C ATOM 789 O MET A 101 107.362 27.173 17.928 1.00 16.58 O ANISOU 789 O MET A 101 2023 1951 2325 22 -130 38 O ATOM 790 CB MET A 101 104.577 28.433 17.443 1.00 12.79 C ANISOU 790 CB MET A 101 1606 1578 1674 243 62 18 C ATOM 791 CG MET A 101 103.872 27.653 18.534 1.00 22.40 C ANISOU 791 CG MET A 101 2848 2862 2800 204 22 -28 C ATOM 792 SD MET A 101 102.101 27.531 18.277 1.00 21.95 S ANISOU 792 SD MET A 101 2767 2956 2619 314 107 -34 S ATOM 793 CE MET A 101 102.005 27.095 16.554 1.00 14.27 C ANISOU 793 CE MET A 101 1661 2083 1677 378 156 23 C ATOM 0 H MET A 101 106.756 29.153 16.150 1.00 13.39 H new ATOM 0 HA MET A 101 105.611 29.752 18.561 1.00 18.24 H new ATOM 0 HB2 MET A 101 103.982 29.123 17.111 1.00 12.79 H new ATOM 0 HB3 MET A 101 104.766 27.839 16.700 1.00 12.79 H new ATOM 0 HG2 MET A 101 104.249 26.761 18.582 1.00 22.40 H new ATOM 0 HG3 MET A 101 104.041 28.078 19.389 1.00 22.40 H new ATOM 0 HE1 MET A 101 101.109 26.786 16.348 1.00 14.27 H new ATOM 0 HE2 MET A 101 102.212 27.872 16.011 1.00 14.27 H new ATOM 0 HE3 MET A 101 102.642 26.389 16.363 1.00 14.27 H new ATOM 794 N LYS A 102 107.128 28.348 19.843 1.00 17.41 N ANISOU 794 N LYS A 102 2304 1963 2350 -43 -151 -40 N ATOM 795 CA LYS A 102 108.028 27.508 20.603 1.00 14.82 C ANISOU 795 CA LYS A 102 1950 1637 2042 -152 -258 -38 C ATOM 796 C LYS A 102 107.219 26.500 21.420 1.00 18.92 C ANISOU 796 C LYS A 102 2471 2246 2473 -163 -289 -59 C ATOM 797 O LYS A 102 106.365 26.882 22.208 1.00 18.42 O ANISOU 797 O LYS A 102 2483 2196 2320 -152 -267 -106 O ATOM 798 CB LYS A 102 108.931 28.358 21.505 1.00 20.56 C ANISOU 798 CB LYS A 102 2754 2272 2785 -251 -305 -69 C ATOM 799 CG LYS A 102 109.881 27.565 22.387 1.00 27.16 C ANISOU 799 CG LYS A 102 3559 3130 3631 -365 -420 -58 C ATOM 800 CD LYS A 102 110.983 26.863 21.600 1.00 23.77 C ANISOU 800 CD LYS A 102 3019 2709 3306 -382 -464 10 C ATOM 801 CE LYS A 102 111.971 26.190 22.549 1.00 18.58 C ANISOU 801 CE LYS A 102 2330 2076 2655 -488 -576 33 C ATOM 802 NZ LYS A 102 111.439 24.940 23.180 1.00 28.21 N ANISOU 802 NZ LYS A 102 3526 3375 3818 -484 -614 47 N ATOM 0 H LYS A 102 106.799 29.007 20.287 1.00 17.41 H new ATOM 0 HA LYS A 102 108.603 27.021 19.992 1.00 14.82 H new ATOM 0 HB2 LYS A 102 109.452 28.957 20.947 1.00 20.56 H new ATOM 0 HB3 LYS A 102 108.371 28.912 22.071 1.00 20.56 H new ATOM 0 HG2 LYS A 102 110.285 28.162 23.036 1.00 27.16 H new ATOM 0 HG3 LYS A 102 109.375 26.904 22.885 1.00 27.16 H new ATOM 0 HD2 LYS A 102 110.593 26.201 21.007 1.00 23.77 H new ATOM 0 HD3 LYS A 102 111.449 27.505 21.042 1.00 23.77 H new ATOM 0 HE2 LYS A 102 112.782 25.977 22.062 1.00 18.58 H new ATOM 0 HE3 LYS A 102 112.216 26.817 23.247 1.00 18.58 H new ATOM 0 HZ1 LYS A 102 111.525 24.994 24.064 1.00 28.21 H new ATOM 0 HZ2 LYS A 102 110.579 24.844 22.971 1.00 28.21 H new ATOM 0 HZ3 LYS A 102 111.897 24.238 22.880 1.00 28.21 H new ATOM 803 N ALA A 103 107.486 25.217 21.189 1.00 13.40 N ANISOU 803 N ALA A 103 1688 1603 1802 -181 -332 -23 N ATOM 804 CA ALA A 103 106.852 24.110 21.904 1.00 16.97 C ANISOU 804 CA ALA A 103 2132 2131 2183 -202 -363 -31 C ATOM 805 C ALA A 103 107.594 23.725 23.182 1.00 18.48 C ANISOU 805 C ALA A 103 2349 2307 2365 -303 -462 -27 C ATOM 806 O ALA A 103 108.817 23.556 23.165 1.00 24.80 O ANISOU 806 O ALA A 103 3108 3070 3243 -357 -522 13 O ATOM 807 CB ALA A 103 106.760 22.910 20.999 1.00 16.32 C ANISOU 807 CB ALA A 103 1956 2106 2140 -174 -347 5 C ATOM 0 H ALA A 103 108.055 24.959 20.598 1.00 13.40 H new ATOM 0 HA ALA A 103 105.968 24.411 22.165 1.00 16.97 H new ATOM 0 HB1 ALA A 103 106.339 22.177 21.475 1.00 16.32 H new ATOM 0 HB2 ALA A 103 106.231 23.134 20.218 1.00 16.32 H new ATOM 0 HB3 ALA A 103 107.651 22.645 20.721 1.00 16.32 H new ATOM 808 N PHE A 104 106.853 23.551 24.275 1.00 13.13 N ANISOU 808 N PHE A 104 1729 1674 1587 -328 -478 -61 N ATOM 809 CA PHE A 104 107.435 23.201 25.559 1.00 22.52 C ANISOU 809 CA PHE A 104 2942 2869 2745 -423 -570 -54 C ATOM 810 C PHE A 104 106.776 21.928 26.038 1.00 24.52 C ANISOU 810 C PHE A 104 3174 3200 2943 -426 -586 -36 C ATOM 811 O PHE A 104 105.546 21.822 26.032 1.00 20.62 O ANISOU 811 O PHE A 104 2704 2758 2372 -380 -528 -70 O ATOM 812 CB PHE A 104 107.236 24.305 26.604 1.00 20.87 C ANISOU 812 CB PHE A 104 2838 2637 2456 -468 -577 -120 C ATOM 813 CG PHE A 104 107.816 25.629 26.218 1.00 24.89 C ANISOU 813 CG PHE A 104 3387 3056 3015 -474 -548 -148 C ATOM 814 CD1 PHE A 104 107.063 26.535 25.500 1.00 26.22 C ANISOU 814 CD1 PHE A 104 3596 3187 3181 -385 -448 -180 C ATOM 815 CD2 PHE A 104 109.109 25.976 26.594 1.00 17.99 C ANISOU 815 CD2 PHE A 104 2509 2138 2187 -570 -619 -137 C ATOM 816 CE1 PHE A 104 107.588 27.765 25.154 1.00 32.49 C ANISOU 816 CE1 PHE A 104 4435 3884 4024 -390 -412 -200 C ATOM 817 CE2 PHE A 104 109.634 27.198 26.253 1.00 28.09 C ANISOU 817 CE2 PHE A 104 3832 3328 3512 -588 -587 -166 C ATOM 818 CZ PHE A 104 108.870 28.095 25.533 1.00 29.73 C ANISOU 818 CZ PHE A 104 4091 3482 3724 -497 -480 -198 C ATOM 0 H PHE A 104 105.997 23.634 24.288 1.00 13.13 H new ATOM 0 HA PHE A 104 108.391 23.083 25.446 1.00 22.52 H new ATOM 0 HB2 PHE A 104 106.286 24.415 26.766 1.00 20.87 H new ATOM 0 HB3 PHE A 104 107.636 24.020 27.441 1.00 20.87 H new ATOM 0 HD1 PHE A 104 106.195 26.316 25.247 1.00 26.22 H new ATOM 0 HD2 PHE A 104 109.624 25.374 27.082 1.00 17.99 H new ATOM 0 HE1 PHE A 104 107.076 28.369 24.666 1.00 32.49 H new ATOM 0 HE2 PHE A 104 110.501 27.421 26.506 1.00 28.09 H new ATOM 0 HZ PHE A 104 109.222 28.924 25.303 1.00 29.73 H new ATOM 819 N MET A 105 107.587 20.955 26.426 1.00 26.39 N ANISOU 819 N MET A 105 3362 3445 3219 -479 -658 25 N ATOM 820 CA MET A 105 107.049 19.758 27.021 1.00 30.35 C ANISOU 820 CA MET A 105 3855 4006 3670 -493 -674 49 C ATOM 821 C MET A 105 106.580 20.122 28.414 1.00 28.50 C ANISOU 821 C MET A 105 3699 3813 3317 -545 -711 11 C ATOM 822 O MET A 105 107.260 20.858 29.136 1.00 28.92 O ANISOU 822 O MET A 105 3787 3847 3353 -607 -767 -2 O ATOM 823 CB MET A 105 108.086 18.632 27.056 1.00 35.10 C ANISOU 823 CB MET A 105 4386 4597 4354 -522 -733 137 C ATOM 824 CG MET A 105 107.504 17.277 26.708 1.00 35.71 C ANISOU 824 CG MET A 105 4428 4700 4442 -493 -692 167 C ATOM 825 SD MET A 105 106.913 17.201 25.001 1.00 99.72 S ANISOU 825 SD MET A 105 12489 12797 12602 -414 -584 133 S ATOM 826 CE MET A 105 108.454 17.168 24.091 1.00 51.69 C ANISOU 826 CE MET A 105 6328 6642 6670 -403 -606 193 C ATOM 0 H MET A 105 108.444 20.973 26.352 1.00 26.39 H new ATOM 0 HA MET A 105 106.309 19.423 26.492 1.00 30.35 H new ATOM 0 HB2 MET A 105 108.802 18.840 26.435 1.00 35.10 H new ATOM 0 HB3 MET A 105 108.481 18.591 27.941 1.00 35.10 H new ATOM 0 HG2 MET A 105 108.178 16.593 26.845 1.00 35.71 H new ATOM 0 HG3 MET A 105 106.771 17.078 27.311 1.00 35.71 H new ATOM 0 HE1 MET A 105 108.279 16.937 23.165 1.00 51.69 H new ATOM 0 HE2 MET A 105 108.873 18.042 24.132 1.00 51.69 H new ATOM 0 HE3 MET A 105 109.047 16.507 24.482 1.00 51.69 H new ATOM 827 N VAL A 106 105.398 19.636 28.780 1.00 29.21 N ANISOU 827 N VAL A 106 3816 3965 3318 -528 -675 -13 N ATOM 828 CA VAL A 106 104.894 19.847 30.129 1.00 30.26 C ANISOU 828 CA VAL A 106 4018 4148 3330 -578 -707 -46 C ATOM 829 C VAL A 106 105.673 18.946 31.075 1.00 29.95 C ANISOU 829 C VAL A 106 3954 4134 3290 -653 -799 26 C ATOM 830 O VAL A 106 105.711 17.727 30.894 1.00 29.08 O ANISOU 830 O VAL A 106 3794 4037 3219 -645 -803 91 O ATOM 831 CB VAL A 106 103.386 19.568 30.230 1.00 29.22 C ANISOU 831 CB VAL A 106 3914 4087 3101 -538 -639 -88 C ATOM 832 CG1 VAL A 106 102.918 19.697 31.667 1.00 24.56 C ANISOU 832 CG1 VAL A 106 3391 3554 2385 -593 -673 -118 C ATOM 833 CG2 VAL A 106 102.614 20.523 29.333 1.00 29.98 C ANISOU 833 CG2 VAL A 106 4027 4175 3191 -455 -547 -147 C ATOM 0 H VAL A 106 104.877 19.185 28.266 1.00 29.21 H new ATOM 0 HA VAL A 106 105.018 20.778 30.371 1.00 30.26 H new ATOM 0 HB VAL A 106 103.218 18.660 29.934 1.00 29.22 H new ATOM 0 HG11 VAL A 106 101.966 19.518 31.715 1.00 24.56 H new ATOM 0 HG12 VAL A 106 103.394 19.059 32.221 1.00 24.56 H new ATOM 0 HG13 VAL A 106 103.094 20.596 31.985 1.00 24.56 H new ATOM 0 HG21 VAL A 106 101.664 20.338 29.404 1.00 29.98 H new ATOM 0 HG22 VAL A 106 102.787 21.437 29.608 1.00 29.98 H new ATOM 0 HG23 VAL A 106 102.898 20.404 28.413 1.00 29.98 H new ATOM 834 N PRO A 107 106.338 19.548 32.066 1.00 32.82 N ANISOU 834 N PRO A 107 4349 4499 3623 -711 -853 17 N ATOM 835 CA PRO A 107 107.115 18.705 32.975 1.00 32.45 C ANISOU 835 CA PRO A 107 4262 4480 3589 -749 -907 97 C ATOM 836 C PRO A 107 106.200 18.060 34.012 1.00 33.68 C ANISOU 836 C PRO A 107 4448 4698 3651 -750 -887 97 C ATOM 837 O PRO A 107 105.272 18.704 34.494 1.00 38.17 O ANISOU 837 O PRO A 107 5078 5292 4134 -742 -846 19 O ATOM 838 CB PRO A 107 108.113 19.690 33.602 1.00 33.35 C ANISOU 838 CB PRO A 107 4390 4583 3697 -807 -953 77 C ATOM 839 CG PRO A 107 107.451 21.022 33.518 1.00 32.86 C ANISOU 839 CG PRO A 107 4411 4497 3579 -809 -911 -34 C ATOM 840 CD PRO A 107 106.523 20.989 32.326 1.00 28.16 C ANISOU 840 CD PRO A 107 3822 3878 2998 -743 -854 -60 C ATOM 0 HA PRO A 107 107.564 17.963 32.540 1.00 32.45 H new ATOM 0 HB2 PRO A 107 108.308 19.453 34.522 1.00 33.35 H new ATOM 0 HB3 PRO A 107 108.957 19.687 33.123 1.00 33.35 H new ATOM 0 HG2 PRO A 107 106.957 21.210 34.331 1.00 32.86 H new ATOM 0 HG3 PRO A 107 108.111 21.726 33.418 1.00 32.86 H new ATOM 0 HD2 PRO A 107 105.679 21.427 32.519 1.00 28.16 H new ATOM 0 HD3 PRO A 107 106.910 21.442 31.561 1.00 28.16 H new ATOM 841 N ARG A 108 106.437 16.792 34.322 1.00 38.23 N ANISOU 841 N ARG A 108 6470 3415 4642 752 -760 144 N ATOM 842 CA ARG A 108 105.591 16.088 35.282 1.00 39.23 C ANISOU 842 CA ARG A 108 6726 3444 4738 700 -872 332 C ATOM 843 C ARG A 108 106.286 15.925 36.616 1.00 51.70 C ANISOU 843 C ARG A 108 8192 5200 6253 738 -994 458 C ATOM 844 O ARG A 108 105.648 15.722 37.647 1.00 58.33 O ANISOU 844 O ARG A 108 9097 6048 7019 639 -1073 607 O ATOM 845 CB ARG A 108 105.192 14.719 34.741 1.00 35.28 C ANISOU 845 CB ARG A 108 6399 2652 4353 832 -937 399 C ATOM 846 CG ARG A 108 104.437 14.770 33.445 1.00 39.46 C ANISOU 846 CG ARG A 108 7052 2994 4945 797 -826 285 C ATOM 847 CD ARG A 108 103.948 13.393 33.069 1.00 37.55 C ANISOU 847 CD ARG A 108 6990 2467 4810 909 -900 366 C ATOM 848 NE ARG A 108 102.788 13.458 32.192 1.00 35.21 N ANISOU 848 NE ARG A 108 6703 2147 4529 757 -761 286 N ATOM 849 CZ ARG A 108 102.141 12.389 31.747 1.00 36.12 C ANISOU 849 CZ ARG A 108 6795 2212 4718 750 -735 311 C ATOM 850 NH1 ARG A 108 102.547 11.177 32.100 1.00 48.62 N ANISOU 850 NH1 ARG A 108 8394 3708 6370 882 -836 411 N ATOM 851 NH2 ARG A 108 101.090 12.529 30.955 1.00 36.03 N ANISOU 851 NH2 ARG A 108 6732 2246 4712 618 -612 238 N ATOM 0 H ARG A 108 107.077 16.322 33.992 1.00 38.23 H new ATOM 0 HA ARG A 108 104.794 16.625 35.416 1.00 39.23 H new ATOM 0 HB2 ARG A 108 105.992 14.185 34.617 1.00 35.28 H new ATOM 0 HB3 ARG A 108 104.648 14.266 35.404 1.00 35.28 H new ATOM 0 HG2 ARG A 108 103.684 15.376 33.526 1.00 39.46 H new ATOM 0 HG3 ARG A 108 105.009 15.120 32.744 1.00 39.46 H new ATOM 0 HD2 ARG A 108 104.661 12.905 32.628 1.00 37.55 H new ATOM 0 HD3 ARG A 108 103.720 12.899 33.872 1.00 37.55 H new ATOM 0 HE ARG A 108 102.506 14.233 31.949 1.00 35.21 H new ATOM 0 HH11 ARG A 108 103.229 11.085 32.616 1.00 48.62 H new ATOM 0 HH12 ARG A 108 102.129 10.483 31.813 1.00 48.62 H new ATOM 0 HH21 ARG A 108 100.825 13.315 30.727 1.00 36.03 H new ATOM 0 HH22 ARG A 108 100.672 11.834 30.668 1.00 36.03 H new ATOM 852 N GLU A 109 107.606 16.009 36.582 1.00 53.21 N ANISOU 852 N GLU A 109 8211 5538 6467 881 -1010 393 N ATOM 853 CA GLU A 109 108.415 15.787 37.763 1.00 61.70 C ANISOU 853 CA GLU A 109 9166 6783 7492 950 -1134 501 C ATOM 854 C GLU A 109 108.924 17.106 38.339 1.00 66.69 C ANISOU 854 C GLU A 109 9606 7725 8010 826 -1070 427 C ATOM 855 O GLU A 109 109.774 17.751 37.711 1.00 64.43 O ANISOU 855 O GLU A 109 9177 7564 7741 869 -981 266 O ATOM 856 CB GLU A 109 109.589 14.873 37.409 1.00 68.22 C ANISOU 856 CB GLU A 109 9925 7566 8430 1214 -1215 482 C ATOM 857 CG GLU A 109 110.146 15.142 36.015 1.00 72.61 C ANISOU 857 CG GLU A 109 10420 8096 9074 1301 -1093 276 C ATOM 858 CD GLU A 109 109.478 14.297 34.947 1.00 76.52 C ANISOU 858 CD GLU A 109 11099 8290 9684 1369 -1074 258 C ATOM 859 OE1 GLU A 109 108.552 13.534 35.294 1.00 77.24 O ANISOU 859 OE1 GLU A 109 11368 8191 9788 1340 -1150 404 O ATOM 860 OE2 GLU A 109 109.855 14.420 33.761 1.00 77.85 O ANISOU 860 OE2 GLU A 109 11235 8418 9926 1439 -977 94 O ATOM 0 H GLU A 109 108.056 16.196 35.874 1.00 53.21 H new ATOM 0 HA GLU A 109 107.866 15.362 38.440 1.00 61.70 H new ATOM 0 HB2 GLU A 109 110.295 14.992 38.064 1.00 68.22 H new ATOM 0 HB3 GLU A 109 109.302 13.948 37.466 1.00 68.22 H new ATOM 0 HG2 GLU A 109 110.030 16.081 35.800 1.00 72.61 H new ATOM 0 HG3 GLU A 109 111.100 14.966 36.012 1.00 72.61 H new ATOM 861 N SER A 110 108.443 17.530 39.515 1.00 72.50 N ANISOU 861 N SER A 110 10330 8591 8625 669 -1110 533 N ATOM 862 CA SER A 110 107.425 16.882 40.357 1.00 72.28 C ANISOU 862 CA SER A 110 10459 8451 8553 585 -1207 720 C ATOM 863 C SER A 110 106.842 18.024 41.215 1.00 67.96 C ANISOU 863 C SER A 110 9853 8106 7862 344 -1157 722 C ATOM 864 O SER A 110 107.339 19.145 41.107 1.00 66.14 O ANISOU 864 O SER A 110 9468 8074 7587 281 -1063 587 O ATOM 865 CB SER A 110 108.040 15.784 41.244 1.00 76.48 C ANISOU 865 CB SER A 110 10986 8978 9096 740 -1386 892 C ATOM 866 OG SER A 110 109.097 15.089 40.606 1.00 80.33 O ANISOU 866 OG SER A 110 11420 9400 9701 984 -1430 842 O ATOM 0 H SER A 110 108.726 18.261 39.869 1.00 72.50 H new ATOM 0 HA SER A 110 106.747 16.438 39.825 1.00 72.28 H new ATOM 0 HB2 SER A 110 108.370 16.184 42.064 1.00 76.48 H new ATOM 0 HB3 SER A 110 107.348 15.152 41.495 1.00 76.48 H new ATOM 0 HG SER A 110 109.401 14.503 41.126 1.00 80.33 H new ATOM 867 N ASP A 111 105.806 17.824 42.037 1.00 65.34 N ANISOU 867 N ASP A 111 9634 7737 7454 200 -1209 857 N ATOM 868 CA ASP A 111 104.857 16.709 42.051 1.00 62.06 C ANISOU 868 CA ASP A 111 9435 7070 7077 204 -1284 996 C ATOM 869 C ASP A 111 103.510 17.376 42.276 1.00 54.86 C ANISOU 869 C ASP A 111 8605 6160 6080 -41 -1211 985 C ATOM 870 O ASP A 111 102.442 16.794 42.056 1.00 50.61 O ANISOU 870 O ASP A 111 8248 5416 5564 -99 -1218 1044 O ATOM 871 CB ASP A 111 105.171 15.688 43.148 1.00 68.71 C ANISOU 871 CB ASP A 111 10303 7913 7889 284 -1459 1203 C ATOM 872 CG ASP A 111 103.992 14.782 43.462 1.00 68.92 C ANISOU 872 CG ASP A 111 10549 7729 7907 206 -1528 1360 C ATOM 873 OD1 ASP A 111 103.654 13.923 42.620 1.00 67.83 O ANISOU 873 OD1 ASP A 111 10562 7328 7881 303 -1534 1366 O ATOM 874 OD2 ASP A 111 103.403 14.929 44.554 1.00 70.50 O ANISOU 874 OD2 ASP A 111 10768 8033 7984 43 -1574 1473 O ATOM 0 H ASP A 111 105.627 18.392 42.657 1.00 65.34 H new ATOM 0 HA ASP A 111 104.889 16.196 41.229 1.00 62.06 H new ATOM 0 HB2 ASP A 111 105.927 15.145 42.873 1.00 68.71 H new ATOM 0 HB3 ASP A 111 105.437 16.157 43.954 1.00 68.71 H new ATOM 875 N ASP A 112 103.605 18.620 42.740 1.00 50.64 N ANISOU 875 N ASP A 112 7925 5867 5447 -183 -1142 902 N ATOM 876 CA ASP A 112 102.512 19.581 42.741 1.00 46.11 C ANISOU 876 CA ASP A 112 7382 5332 4805 -405 -1043 823 C ATOM 877 C ASP A 112 102.534 20.291 41.392 1.00 37.57 C ANISOU 877 C ASP A 112 6292 4183 3798 -391 -903 629 C ATOM 878 O ASP A 112 103.602 20.657 40.909 1.00 36.71 O ANISOU 878 O ASP A 112 6057 4162 3730 -284 -862 530 O ATOM 879 CB ASP A 112 102.673 20.570 43.910 1.00 48.83 C ANISOU 879 CB ASP A 112 7569 5973 5013 -555 -1044 823 C ATOM 880 CG ASP A 112 101.575 21.628 43.965 1.00 53.52 C ANISOU 880 CG ASP A 112 8178 6620 5537 -782 -947 729 C ATOM 881 OD1 ASP A 112 101.337 22.330 42.962 1.00 50.26 O ANISOU 881 OD1 ASP A 112 7776 6148 5174 -810 -831 573 O ATOM 882 OD2 ASP A 112 100.942 21.760 45.034 1.00 60.48 O ANISOU 882 OD2 ASP A 112 9061 7609 6311 -935 -990 810 O ATOM 0 H ASP A 112 104.332 18.935 43.073 1.00 50.64 H new ATOM 0 HA ASP A 112 101.657 19.141 42.865 1.00 46.11 H new ATOM 0 HB2 ASP A 112 102.678 20.076 44.745 1.00 48.83 H new ATOM 0 HB3 ASP A 112 103.534 21.011 43.836 1.00 48.83 H new ATOM 883 N PRO A 113 101.361 20.467 40.772 1.00 38.66 N ANISOU 883 N PRO A 113 6567 4167 3955 -500 -832 575 N ATOM 884 CA PRO A 113 101.279 21.138 39.467 1.00 38.90 C ANISOU 884 CA PRO A 113 6609 4121 4050 -498 -703 398 C ATOM 885 C PRO A 113 101.833 22.561 39.487 1.00 36.70 C ANISOU 885 C PRO A 113 6157 4070 3715 -581 -613 256 C ATOM 886 O PRO A 113 102.465 22.969 38.518 1.00 33.64 O ANISOU 886 O PRO A 113 5719 3676 3385 -509 -533 128 O ATOM 887 CB PRO A 113 99.779 21.140 39.171 1.00 40.42 C ANISOU 887 CB PRO A 113 6969 4151 4238 -637 -666 389 C ATOM 888 CG PRO A 113 99.267 19.920 39.885 1.00 45.55 C ANISOU 888 CG PRO A 113 7740 4689 4879 -623 -783 572 C ATOM 889 CD PRO A 113 100.079 19.850 41.158 1.00 44.57 C ANISOU 889 CD PRO A 113 7485 4775 4675 -606 -878 684 C ATOM 0 HA PRO A 113 101.813 20.686 38.795 1.00 38.90 H new ATOM 0 HB2 PRO A 113 99.353 21.948 39.498 1.00 40.42 H new ATOM 0 HB3 PRO A 113 99.605 21.093 38.218 1.00 40.42 H new ATOM 0 HG2 PRO A 113 98.319 19.995 40.076 1.00 45.55 H new ATOM 0 HG3 PRO A 113 99.386 19.121 39.347 1.00 45.55 H new ATOM 0 HD2 PRO A 113 99.652 20.333 41.883 1.00 44.57 H new ATOM 0 HD3 PRO A 113 100.197 18.935 41.458 1.00 44.57 H new ATOM 890 N ALA A 114 101.614 23.291 40.577 1.00 34.28 N ANISOU 890 N ALA A 114 5762 3964 3297 -733 -626 278 N ATOM 891 CA ALA A 114 102.114 24.661 40.693 1.00 34.11 C ANISOU 891 CA ALA A 114 5578 4164 3220 -823 -546 147 C ATOM 892 C ALA A 114 103.634 24.749 40.587 1.00 34.52 C ANISOU 892 C ALA A 114 5468 4356 3294 -682 -546 107 C ATOM 893 O ALA A 114 104.167 25.741 40.103 1.00 32.56 O ANISOU 893 O ALA A 114 5115 4213 3043 -710 -453 -35 O ATOM 894 CB ALA A 114 101.655 25.278 41.998 1.00 34.58 C ANISOU 894 CB ALA A 114 5565 4419 3156 -999 -576 190 C ATOM 0 H ALA A 114 101.177 23.012 41.263 1.00 34.28 H new ATOM 0 HA ALA A 114 101.745 25.156 39.945 1.00 34.11 H new ATOM 0 HB1 ALA A 114 101.992 26.185 42.064 1.00 34.58 H new ATOM 0 HB2 ALA A 114 100.686 25.291 42.027 1.00 34.58 H new ATOM 0 HB3 ALA A 114 101.993 24.753 42.741 1.00 34.58 H new ATOM 895 N GLU A 115 104.327 23.717 41.051 1.00 35.80 N ANISOU 895 N GLU A 115 5608 4519 3476 -532 -654 230 N ATOM 896 CA GLU A 115 105.782 23.715 41.042 1.00 36.66 C ANISOU 896 CA GLU A 115 5553 4772 3605 -387 -669 195 C ATOM 897 C GLU A 115 106.322 23.494 39.637 1.00 34.26 C ANISOU 897 C GLU A 115 5272 4331 3415 -244 -600 82 C ATOM 898 O GLU A 115 107.261 24.165 39.220 1.00 29.51 O ANISOU 898 O GLU A 115 4532 3862 2819 -212 -531 -43 O ATOM 899 CB GLU A 115 106.322 22.652 42.002 1.00 38.27 C ANISOU 899 CB GLU A 115 5732 5015 3796 -264 -819 365 C ATOM 900 CG GLU A 115 106.141 23.040 43.470 1.00 41.46 C ANISOU 900 CG GLU A 115 6055 5631 4068 -402 -882 458 C ATOM 901 CD GLU A 115 106.388 21.893 44.426 1.00 45.51 C ANISOU 901 CD GLU A 115 6592 6140 4559 -304 -1041 654 C ATOM 902 OE1 GLU A 115 106.777 20.805 43.952 1.00 51.73 O ANISOU 902 OE1 GLU A 115 7451 6760 5443 -117 -1108 712 O ATOM 903 OE2 GLU A 115 106.194 22.081 45.651 1.00 44.96 O ANISOU 903 OE2 GLU A 115 6472 6234 4376 -417 -1103 748 O ATOM 0 H GLU A 115 103.971 23.005 41.377 1.00 35.80 H new ATOM 0 HA GLU A 115 106.086 24.586 41.343 1.00 36.66 H new ATOM 0 HB2 GLU A 115 105.869 21.810 41.835 1.00 38.27 H new ATOM 0 HB3 GLU A 115 107.264 22.508 41.823 1.00 38.27 H new ATOM 0 HG2 GLU A 115 106.747 23.767 43.683 1.00 41.46 H new ATOM 0 HG3 GLU A 115 105.240 23.374 43.601 1.00 41.46 H new ATOM 904 N ASP A 116 105.727 22.562 38.900 1.00 31.63 N ANISOU 904 N ASP A 116 5022 4889 2109 -1356 -1019 502 N ATOM 905 CA ASP A 116 106.144 22.350 37.519 1.00 34.99 C ANISOU 905 CA ASP A 116 5408 5232 2655 -1262 -1047 477 C ATOM 906 C ASP A 116 105.785 23.575 36.694 1.00 35.78 C ANISOU 906 C ASP A 116 5472 5307 2816 -1271 -930 359 C ATOM 907 O ASP A 116 106.535 23.974 35.797 1.00 37.59 O ANISOU 907 O ASP A 116 5648 5519 3115 -1207 -937 292 O ATOM 908 CB ASP A 116 105.505 21.090 36.935 1.00 33.50 C ANISOU 908 CB ASP A 116 5263 4934 2530 -1236 -1091 574 C ATOM 909 CG ASP A 116 106.318 19.847 37.227 1.00 47.53 C ANISOU 909 CG ASP A 116 7057 6703 4299 -1174 -1234 679 C ATOM 910 OD1 ASP A 116 107.559 19.919 37.091 1.00 54.95 O ANISOU 910 OD1 ASP A 116 7942 7687 5249 -1102 -1308 650 O ATOM 911 OD2 ASP A 116 105.727 18.809 37.610 1.00 46.88 O ANISOU 911 OD2 ASP A 116 7040 6571 4202 -1197 -1273 788 O ATOM 0 H ASP A 116 105.092 22.051 39.174 1.00 31.63 H new ATOM 0 HA ASP A 116 107.105 22.220 37.496 1.00 34.99 H new ATOM 0 HB2 ASP A 116 104.612 20.983 37.300 1.00 33.50 H new ATOM 0 HB3 ASP A 116 105.409 21.193 35.975 1.00 33.50 H new ATOM 912 N ALA A 117 104.642 24.180 37.001 1.00 27.08 N ANISOU 912 N ALA A 117 4397 4204 1687 -1349 -824 333 N ATOM 913 CA ALA A 117 104.256 25.408 36.315 1.00 31.87 C ANISOU 913 CA ALA A 117 4976 4787 2347 -1356 -714 226 C ATOM 914 C ALA A 117 105.269 26.531 36.560 1.00 29.66 C ANISOU 914 C ALA A 117 4651 4575 2044 -1352 -693 131 C ATOM 915 O ALA A 117 105.589 27.283 35.654 1.00 26.32 O ANISOU 915 O ALA A 117 4190 4116 1695 -1314 -653 55 O ATOM 916 CB ALA A 117 102.879 25.837 36.744 1.00 34.84 C ANISOU 916 CB ALA A 117 5386 5164 2688 -1438 -611 214 C ATOM 0 H ALA A 117 104.084 23.902 37.593 1.00 27.08 H new ATOM 0 HA ALA A 117 104.245 25.225 35.363 1.00 31.87 H new ATOM 0 HB1 ALA A 117 102.635 26.654 36.281 1.00 34.84 H new ATOM 0 HB2 ALA A 117 102.240 25.140 36.527 1.00 34.84 H new ATOM 0 HB3 ALA A 117 102.872 25.994 37.701 1.00 34.84 H new ATOM 917 N GLU A 118 105.783 26.649 37.776 1.00 38.00 N ANISOU 917 N GLU A 118 5713 5728 2998 -1397 -722 137 N ATOM 918 CA GLU A 118 106.773 27.688 38.020 1.00 40.73 C ANISOU 918 CA GLU A 118 6016 6138 3321 -1402 -706 46 C ATOM 919 C GLU A 118 108.079 27.348 37.310 1.00 41.31 C ANISOU 919 C GLU A 118 6036 6211 3450 -1311 -799 37 C ATOM 920 O GLU A 118 108.776 28.244 36.830 1.00 39.97 O ANISOU 920 O GLU A 118 5821 6047 3319 -1293 -768 -53 O ATOM 921 CB GLU A 118 107.009 27.902 39.515 1.00 43.20 C ANISOU 921 CB GLU A 118 6348 6563 3504 -1482 -716 51 C ATOM 922 CG GLU A 118 105.854 28.607 40.224 1.00 50.23 C ANISOU 922 CG GLU A 118 7276 7470 4339 -1581 -600 16 C ATOM 923 CD GLU A 118 105.596 30.019 39.701 1.00 54.44 C ANISOU 923 CD GLU A 118 7790 7968 4928 -1595 -482 -103 C ATOM 924 OE1 GLU A 118 106.514 30.860 39.783 1.00 61.26 O ANISOU 924 OE1 GLU A 118 8621 8869 5786 -1598 -474 -176 O ATOM 925 OE2 GLU A 118 104.478 30.299 39.212 1.00 49.66 O ANISOU 925 OE2 GLU A 118 7202 7297 4371 -1604 -399 -122 O ATOM 0 H GLU A 118 105.582 26.157 38.452 1.00 38.00 H new ATOM 0 HA GLU A 118 106.428 28.520 37.660 1.00 40.73 H new ATOM 0 HB2 GLU A 118 107.160 27.042 39.937 1.00 43.20 H new ATOM 0 HB3 GLU A 118 107.818 28.423 39.635 1.00 43.20 H new ATOM 0 HG2 GLU A 118 105.048 28.078 40.120 1.00 50.23 H new ATOM 0 HG3 GLU A 118 106.044 28.650 41.174 1.00 50.23 H new ATOM 926 N ARG A 119 108.408 26.061 37.227 1.00 38.61 N ANISOU 926 N ARG A 119 5699 5859 3114 -1256 -911 128 N ATOM 927 CA ARG A 119 109.586 25.649 36.468 1.00 43.08 C ANISOU 927 CA ARG A 119 6208 6421 3740 -1162 -1002 114 C ATOM 928 C ARG A 119 109.394 25.955 34.981 1.00 41.26 C ANISOU 928 C ARG A 119 5949 6096 3630 -1115 -946 56 C ATOM 929 O ARG A 119 110.344 26.323 34.297 1.00 38.88 O ANISOU 929 O ARG A 119 5589 5803 3381 -1065 -962 -15 O ATOM 930 CB ARG A 119 109.887 24.158 36.673 1.00 48.50 C ANISOU 930 CB ARG A 119 6910 7104 4415 -1108 -1136 229 C ATOM 931 CG ARG A 119 110.108 23.750 38.127 1.00 57.85 C ANISOU 931 CG ARG A 119 8125 8378 5475 -1149 -1204 303 C ATOM 932 CD ARG A 119 110.749 22.368 38.239 1.00 65.01 C ANISOU 932 CD ARG A 119 9034 9284 6383 -1070 -1356 410 C ATOM 933 NE ARG A 119 112.096 22.434 38.805 1.00 71.68 N ANISOU 933 NE ARG A 119 9823 10239 7174 -1032 -1456 391 N ATOM 934 CZ ARG A 119 112.867 21.375 39.039 1.00 74.80 C ANISOU 934 CZ ARG A 119 10203 10656 7560 -954 -1601 475 C ATOM 935 NH1 ARG A 119 112.428 20.157 38.754 1.00 74.93 N ANISOU 935 NH1 ARG A 119 10265 10582 7624 -909 -1659 588 N ATOM 936 NH2 ARG A 119 114.080 21.532 39.557 1.00 74.65 N ANISOU 936 NH2 ARG A 119 10125 10747 7491 -921 -1691 447 N ATOM 0 H ARG A 119 107.970 25.420 37.597 1.00 38.61 H new ATOM 0 HA ARG A 119 110.346 26.154 36.797 1.00 43.08 H new ATOM 0 HB2 ARG A 119 109.152 23.639 36.312 1.00 48.50 H new ATOM 0 HB3 ARG A 119 110.677 23.926 36.160 1.00 48.50 H new ATOM 0 HG2 ARG A 119 110.674 24.405 38.564 1.00 57.85 H new ATOM 0 HG3 ARG A 119 109.259 23.751 38.596 1.00 57.85 H new ATOM 0 HD2 ARG A 119 110.193 21.798 38.794 1.00 65.01 H new ATOM 0 HD3 ARG A 119 110.788 21.958 37.361 1.00 65.01 H new ATOM 0 HE ARG A 119 112.411 23.210 39.000 1.00 71.68 H new ATOM 0 HH11 ARG A 119 111.644 20.050 38.417 1.00 74.93 H new ATOM 0 HH12 ARG A 119 112.927 19.473 38.906 1.00 74.93 H new ATOM 0 HH21 ARG A 119 114.370 22.320 39.742 1.00 74.65 H new ATOM 0 HH22 ARG A 119 114.576 20.845 39.707 1.00 74.65 H new ATOM 937 N LEU A 120 108.162 25.815 34.493 1.00 39.27 N ANISOU 937 N LEU A 120 5740 5759 3422 -1135 -881 86 N ATOM 938 CA LEU A 120 107.857 26.032 33.075 1.00 31.51 C ANISOU 938 CA LEU A 120 4739 4685 2550 -1094 -831 44 C ATOM 939 C LEU A 120 107.740 27.519 32.747 1.00 31.74 C ANISOU 939 C LEU A 120 4749 4709 2603 -1122 -719 -57 C ATOM 940 O LEU A 120 108.249 27.975 31.721 1.00 30.16 O ANISOU 940 O LEU A 120 4507 4475 2478 -1078 -699 -118 O ATOM 941 CB LEU A 120 106.567 25.294 32.685 1.00 32.83 C ANISOU 941 CB LEU A 120 4959 4765 2750 -1109 -813 118 C ATOM 942 CG LEU A 120 106.152 25.244 31.210 1.00 33.84 C ANISOU 942 CG LEU A 120 5077 4794 2988 -1068 -780 99 C ATOM 943 CD1 LEU A 120 107.265 24.692 30.327 1.00 31.22 C ANISOU 943 CD1 LEU A 120 4696 4446 2720 -988 -858 81 C ATOM 944 CD2 LEU A 120 104.880 24.423 31.021 1.00 38.24 C ANISOU 944 CD2 LEU A 120 5691 5277 3562 -1095 -774 179 C ATOM 0 H LEU A 120 107.482 25.593 34.970 1.00 39.27 H new ATOM 0 HA LEU A 120 108.594 25.673 32.557 1.00 31.51 H new ATOM 0 HB2 LEU A 120 106.648 24.379 32.997 1.00 32.83 H new ATOM 0 HB3 LEU A 120 105.838 25.699 33.180 1.00 32.83 H new ATOM 0 HG LEU A 120 105.976 26.158 30.937 1.00 33.84 H new ATOM 0 HD11 LEU A 120 106.968 24.675 29.404 1.00 31.22 H new ATOM 0 HD12 LEU A 120 108.049 25.257 30.403 1.00 31.22 H new ATOM 0 HD13 LEU A 120 107.487 23.792 30.611 1.00 31.22 H new ATOM 0 HD21 LEU A 120 104.641 24.408 30.081 1.00 38.24 H new ATOM 0 HD22 LEU A 120 105.031 23.516 31.330 1.00 38.24 H new ATOM 0 HD23 LEU A 120 104.158 24.822 31.531 1.00 38.24 H new ATOM 945 N LEU A 121 107.078 28.270 33.622 1.00 31.48 N ANISOU 945 N LEU A 121 4748 4708 2506 -1197 -645 -74 N ATOM 946 CA LEU A 121 106.985 29.722 33.478 1.00 32.13 C ANISOU 946 CA LEU A 121 4820 4785 2604 -1228 -542 -166 C ATOM 947 C LEU A 121 108.372 30.351 33.376 1.00 33.97 C ANISOU 947 C LEU A 121 5001 5064 2843 -1207 -563 -236 C ATOM 948 O LEU A 121 108.606 31.231 32.543 1.00 30.50 O ANISOU 948 O LEU A 121 4538 4582 2468 -1191 -507 -301 O ATOM 949 CB LEU A 121 106.223 30.339 34.652 1.00 27.30 C ANISOU 949 CB LEU A 121 4247 4219 1906 -1316 -473 -180 C ATOM 950 CG LEU A 121 104.697 30.266 34.601 1.00 27.86 C ANISOU 950 CG LEU A 121 4362 4239 1983 -1351 -406 -153 C ATOM 951 CD1 LEU A 121 104.083 30.765 35.916 1.00 26.12 C ANISOU 951 CD1 LEU A 121 4174 4084 1664 -1442 -346 -173 C ATOM 952 CD2 LEU A 121 104.152 31.035 33.407 1.00 30.70 C ANISOU 952 CD2 LEU A 121 4717 4511 2438 -1322 -331 -202 C ATOM 0 H LEU A 121 106.672 27.956 34.312 1.00 31.48 H new ATOM 0 HA LEU A 121 106.499 29.904 32.659 1.00 32.13 H new ATOM 0 HB2 LEU A 121 106.519 29.903 35.466 1.00 27.30 H new ATOM 0 HB3 LEU A 121 106.478 31.272 34.721 1.00 27.30 H new ATOM 0 HG LEU A 121 104.443 29.336 34.490 1.00 27.86 H new ATOM 0 HD11 LEU A 121 103.116 30.711 35.863 1.00 26.12 H new ATOM 0 HD12 LEU A 121 104.398 30.214 36.650 1.00 26.12 H new ATOM 0 HD13 LEU A 121 104.347 31.686 36.067 1.00 26.12 H new ATOM 0 HD21 LEU A 121 103.184 30.974 33.397 1.00 30.70 H new ATOM 0 HD22 LEU A 121 104.416 31.966 33.474 1.00 30.70 H new ATOM 0 HD23 LEU A 121 104.508 30.656 32.588 1.00 30.70 H new ATOM 953 N GLU A 122 109.287 29.896 34.226 1.00 32.42 N ANISOU 953 N GLU A 122 4786 4955 2575 -1209 -648 -219 N ATOM 954 CA GLU A 122 110.648 30.413 34.202 1.00 42.54 C ANISOU 954 CA GLU A 122 6014 6293 3856 -1195 -679 -286 C ATOM 955 C GLU A 122 111.278 30.094 32.849 1.00 42.50 C ANISOU 955 C GLU A 122 5962 6236 3952 -1113 -714 -308 C ATOM 956 O GLU A 122 111.927 30.947 32.234 1.00 37.91 O ANISOU 956 O GLU A 122 5344 5644 3415 -1108 -675 -382 O ATOM 957 CB GLU A 122 111.479 29.824 35.350 1.00 53.78 C ANISOU 957 CB GLU A 122 7425 7826 5181 -1206 -781 -253 C ATOM 958 CG GLU A 122 112.898 30.399 35.480 1.00 66.07 C ANISOU 958 CG GLU A 122 8924 9458 6722 -1205 -817 -325 C ATOM 959 CD GLU A 122 113.903 29.782 34.511 1.00 76.12 C ANISOU 959 CD GLU A 122 10134 10721 8069 -1115 -903 -340 C ATOM 960 OE1 GLU A 122 113.689 28.629 34.072 1.00 80.19 O ANISOU 960 OE1 GLU A 122 10650 11199 8619 -1049 -973 -277 O ATOM 961 OE2 GLU A 122 114.908 30.454 34.189 1.00 78.55 O ANISOU 961 OE2 GLU A 122 10391 11057 8398 -1116 -900 -416 O ATOM 0 H GLU A 122 109.140 29.292 34.820 1.00 32.42 H new ATOM 0 HA GLU A 122 110.628 31.375 34.326 1.00 42.54 H new ATOM 0 HB2 GLU A 122 111.006 29.972 36.184 1.00 53.78 H new ATOM 0 HB3 GLU A 122 111.543 28.864 35.227 1.00 53.78 H new ATOM 0 HG2 GLU A 122 112.865 31.357 35.332 1.00 66.07 H new ATOM 0 HG3 GLU A 122 113.211 30.263 36.388 1.00 66.07 H new ATOM 962 N LEU A 123 111.066 28.865 32.385 1.00 36.07 N ANISOU 962 N LEU A 123 5149 5386 3171 -1056 -783 -242 N ATOM 963 CA LEU A 123 111.621 28.419 31.112 1.00 28.30 C ANISOU 963 CA LEU A 123 4118 4355 2279 -980 -820 -265 C ATOM 964 C LEU A 123 111.046 29.210 29.946 1.00 35.53 C ANISOU 964 C LEU A 123 5037 5181 3280 -979 -717 -308 C ATOM 965 O LEU A 123 111.776 29.640 29.053 1.00 34.32 O ANISOU 965 O LEU A 123 4840 5013 3187 -949 -704 -370 O ATOM 966 CB LEU A 123 111.350 26.931 30.907 1.00 30.75 C ANISOU 966 CB LEU A 123 4441 4638 2606 -931 -909 -179 C ATOM 967 CG LEU A 123 111.906 26.381 29.598 1.00 34.67 C ANISOU 967 CG LEU A 123 4887 5090 3196 -857 -950 -209 C ATOM 968 CD1 LEU A 123 113.390 26.711 29.502 1.00 34.66 C ANISOU 968 CD1 LEU A 123 4809 5161 3201 -825 -1000 -292 C ATOM 969 CD2 LEU A 123 111.683 24.883 29.526 1.00 35.98 C ANISOU 969 CD2 LEU A 123 5071 5226 3372 -817 -1046 -117 C ATOM 0 H LEU A 123 110.600 28.271 32.796 1.00 36.07 H new ATOM 0 HA LEU A 123 112.578 28.572 31.140 1.00 28.30 H new ATOM 0 HB2 LEU A 123 111.735 26.435 31.646 1.00 30.75 H new ATOM 0 HB3 LEU A 123 110.392 26.778 30.932 1.00 30.75 H new ATOM 0 HG LEU A 123 111.444 26.791 28.850 1.00 34.67 H new ATOM 0 HD11 LEU A 123 113.746 26.362 28.670 1.00 34.66 H new ATOM 0 HD12 LEU A 123 113.510 27.673 29.526 1.00 34.66 H new ATOM 0 HD13 LEU A 123 113.860 26.308 30.249 1.00 34.66 H new ATOM 0 HD21 LEU A 123 112.040 24.542 28.691 1.00 35.98 H new ATOM 0 HD22 LEU A 123 112.134 24.452 30.269 1.00 35.98 H new ATOM 0 HD23 LEU A 123 110.733 24.695 29.572 1.00 35.98 H new ATOM 970 N ILE A 124 109.729 29.386 29.955 1.00 29.80 N ANISOU 970 N ILE A 124 4367 4399 2557 -1013 -647 -271 N ATOM 971 CA ILE A 124 109.050 30.129 28.901 1.00 30.01 C ANISOU 971 CA ILE A 124 4403 4342 2659 -1011 -556 -298 C ATOM 972 C ILE A 124 109.557 31.558 28.792 1.00 28.70 C ANISOU 972 C ILE A 124 4219 4184 2500 -1038 -485 -375 C ATOM 973 O ILE A 124 109.794 32.069 27.694 1.00 29.89 O ANISOU 973 O ILE A 124 4349 4287 2721 -1012 -449 -410 O ATOM 974 CB ILE A 124 107.531 30.141 29.141 1.00 30.51 C ANISOU 974 CB ILE A 124 4526 4359 2708 -1051 -499 -250 C ATOM 975 CG1 ILE A 124 106.960 28.768 28.806 1.00 19.29 C ANISOU 975 CG1 ILE A 124 3124 2897 1308 -1024 -558 -170 C ATOM 976 CG2 ILE A 124 106.863 31.226 28.309 1.00 23.31 C ANISOU 976 CG2 ILE A 124 3625 3378 1853 -1058 -403 -287 C ATOM 977 CD1 ILE A 124 105.548 28.562 29.301 1.00 30.75 C ANISOU 977 CD1 ILE A 124 4634 4323 2726 -1075 -522 -115 C ATOM 0 H ILE A 124 109.208 29.081 30.567 1.00 29.80 H new ATOM 0 HA ILE A 124 109.245 29.676 28.066 1.00 30.01 H new ATOM 0 HB ILE A 124 107.355 30.339 30.074 1.00 30.51 H new ATOM 0 HG12 ILE A 124 106.979 28.644 27.844 1.00 19.29 H new ATOM 0 HG13 ILE A 124 107.532 28.086 29.191 1.00 19.29 H new ATOM 0 HG21 ILE A 124 105.907 31.218 28.474 1.00 23.31 H new ATOM 0 HG22 ILE A 124 107.226 32.092 28.554 1.00 23.31 H new ATOM 0 HG23 ILE A 124 107.030 31.061 27.368 1.00 23.31 H new ATOM 0 HD11 ILE A 124 105.246 27.673 29.057 1.00 30.75 H new ATOM 0 HD12 ILE A 124 105.526 28.656 30.266 1.00 30.75 H new ATOM 0 HD13 ILE A 124 104.964 29.224 28.899 1.00 30.75 H new ATOM 978 N GLY A 125 109.750 32.189 29.942 1.00 27.24 N ANISOU 978 N GLY A 125 4048 4064 2239 -1096 -466 -399 N ATOM 979 CA GLY A 125 110.153 33.580 29.993 1.00 25.89 C ANISOU 979 CA GLY A 125 3872 3899 2065 -1138 -395 -469 C ATOM 980 C GLY A 125 111.543 33.859 29.458 1.00 31.71 C ANISOU 980 C GLY A 125 4554 4664 2828 -1121 -422 -520 C ATOM 981 O GLY A 125 111.924 35.020 29.304 1.00 36.00 O ANISOU 981 O GLY A 125 5099 5210 3370 -1178 -355 -572 O ATOM 0 H GLY A 125 109.650 31.821 30.713 1.00 27.24 H new ATOM 0 HA2 GLY A 125 109.514 34.107 29.489 1.00 25.89 H new ATOM 0 HA3 GLY A 125 110.107 33.883 30.913 1.00 25.89 H new ATOM 982 N GLN A 126 112.307 32.805 29.189 1.00 32.11 N ANISOU 982 N GLN A 126 4561 4743 2895 -1062 -517 -507 N ATOM 983 CA GLN A 126 113.631 32.950 28.569 1.00 33.41 C ANISOU 983 CA GLN A 126 4669 4939 3086 -1051 -547 -559 C ATOM 984 C GLN A 126 113.509 33.247 27.079 1.00 33.94 C ANISOU 984 C GLN A 126 4730 4929 3237 -1036 -493 -572 C ATOM 985 O GLN A 126 114.450 33.745 26.456 1.00 35.39 O ANISOU 985 O GLN A 126 4877 5130 3440 -1056 -476 -621 O ATOM 986 CB GLN A 126 114.474 31.685 28.757 1.00 34.54 C ANISOU 986 CB GLN A 126 4765 5136 3224 -985 -676 -549 C ATOM 987 CG GLN A 126 114.690 31.256 30.194 1.00 44.17 C ANISOU 987 CG GLN A 126 5990 6448 4345 -1010 -746 -520 C ATOM 988 CD GLN A 126 115.217 29.831 30.284 1.00 51.92 C ANISOU 988 CD GLN A 126 6936 7469 5321 -942 -881 -483 C ATOM 989 OE1 GLN A 126 115.685 29.270 29.293 1.00 55.01 O ANISOU 989 OE1 GLN A 126 7285 7831 5784 -881 -924 -504 O ATOM 990 NE2 GLN A 126 115.128 29.235 31.468 1.00 54.90 N ANISOU 990 NE2 GLN A 126 7333 7913 5614 -953 -949 -427 N ATOM 0 H GLN A 126 112.080 31.993 29.357 1.00 32.11 H new ATOM 0 HA GLN A 126 114.070 33.694 29.010 1.00 33.41 H new ATOM 0 HB2 GLN A 126 114.048 30.957 28.278 1.00 34.54 H new ATOM 0 HB3 GLN A 126 115.340 31.827 28.344 1.00 34.54 H new ATOM 0 HG2 GLN A 126 115.317 31.860 30.622 1.00 44.17 H new ATOM 0 HG3 GLN A 126 113.854 31.323 30.681 1.00 44.17 H new ATOM 0 HE21 GLN A 126 114.795 29.658 32.139 1.00 54.90 H new ATOM 0 HE22 GLN A 126 115.403 28.426 31.564 1.00 54.90 H new ATOM 991 N TYR A 127 112.342 32.931 26.523 1.00 28.96 N ANISOU 991 N TYR A 127 4135 4219 2651 -1006 -465 -526 N ATOM 992 CA TYR A 127 112.121 32.998 25.086 1.00 28.09 C ANISOU 992 CA TYR A 127 4021 4037 2615 -983 -428 -524 C ATOM 993 C TYR A 127 111.379 34.248 24.677 1.00 29.86 C ANISOU 993 C TYR A 127 4291 4204 2849 -1035 -322 -526 C ATOM 994 O TYR A 127 110.495 34.725 25.388 1.00 39.28 O ANISOU 994 O TYR A 127 5529 5383 4013 -1063 -281 -512 O ATOM 995 CB TYR A 127 111.355 31.764 24.606 1.00 23.72 C ANISOU 995 CB TYR A 127 3472 3434 2107 -916 -473 -472 C ATOM 996 CG TYR A 127 112.226 30.540 24.588 1.00 26.26 C ANISOU 996 CG TYR A 127 3742 3794 2442 -853 -578 -482 C ATOM 997 CD1 TYR A 127 113.033 30.266 23.495 1.00 25.98 C ANISOU 997 CD1 TYR A 127 3659 3748 2463 -821 -601 -522 C ATOM 998 CD2 TYR A 127 112.271 29.676 25.675 1.00 28.75 C ANISOU 998 CD2 TYR A 127 4061 4163 2701 -845 -657 -449 C ATOM 999 CE1 TYR A 127 113.852 29.159 23.473 1.00 33.41 C ANISOU 999 CE1 TYR A 127 4550 4723 3423 -759 -704 -544 C ATOM 1000 CE2 TYR A 127 113.086 28.559 25.662 1.00 25.11 C ANISOU 1000 CE2 TYR A 127 3556 3742 2244 -796 -763 -454 C ATOM 1001 CZ TYR A 127 113.876 28.308 24.555 1.00 31.54 C ANISOU 1001 CZ TYR A 127 4315 4540 3127 -752 -787 -508 C ATOM 1002 OH TYR A 127 114.697 27.212 24.518 1.00 20.40 O ANISOU 1002 OH TYR A 127 2853 3172 1726 -701 -898 -523 O ATOM 0 H TYR A 127 111.656 32.671 26.972 1.00 28.96 H new ATOM 0 HA TYR A 127 112.995 33.024 24.667 1.00 28.09 H new ATOM 0 HB2 TYR A 127 110.593 31.610 25.186 1.00 23.72 H new ATOM 0 HB3 TYR A 127 111.006 31.926 23.716 1.00 23.72 H new ATOM 0 HD1 TYR A 127 113.021 30.840 22.763 1.00 25.98 H new ATOM 0 HD2 TYR A 127 111.746 29.851 26.422 1.00 28.75 H new ATOM 0 HE1 TYR A 127 114.386 28.987 22.731 1.00 33.41 H new ATOM 0 HE2 TYR A 127 113.103 27.982 26.391 1.00 25.11 H new ATOM 0 HH TYR A 127 114.989 27.107 23.738 1.00 20.40 H new ATOM 1003 N GLU A 128 111.764 34.778 23.525 1.00 33.88 N ANISOU 1003 N GLU A 128 4790 4683 3398 -1046 -281 -547 N ATOM 1004 CA GLU A 128 111.043 35.867 22.890 1.00 38.34 C ANISOU 1004 CA GLU A 128 5403 5183 3981 -1081 -194 -540 C ATOM 1005 C GLU A 128 110.433 35.305 21.611 1.00 30.20 C ANISOU 1005 C GLU A 128 4376 4087 3011 -1032 -198 -500 C ATOM 1006 O GLU A 128 111.088 35.271 20.574 1.00 27.02 O ANISOU 1006 O GLU A 128 3947 3682 2636 -1030 -195 -514 O ATOM 1007 CB GLU A 128 111.984 37.047 22.610 1.00 45.20 C ANISOU 1007 CB GLU A 128 6267 6075 4832 -1148 -138 -592 C ATOM 1008 CG GLU A 128 111.502 38.069 21.593 1.00 53.50 C ANISOU 1008 CG GLU A 128 7366 7055 5908 -1177 -61 -583 C ATOM 1009 CD GLU A 128 110.614 39.134 22.191 1.00 62.03 C ANISOU 1009 CD GLU A 128 8511 8091 6967 -1212 0 -586 C ATOM 1010 OE1 GLU A 128 110.317 39.055 23.401 1.00 63.86 O ANISOU 1010 OE1 GLU A 128 8748 8351 7164 -1219 -11 -595 O ATOM 1011 OE2 GLU A 128 110.231 40.066 21.452 1.00 66.94 O ANISOU 1011 OE2 GLU A 128 9180 8651 7604 -1234 56 -583 O ATOM 0 H GLU A 128 112.456 34.514 23.088 1.00 33.88 H new ATOM 0 HA GLU A 128 110.343 36.212 23.466 1.00 38.34 H new ATOM 0 HB2 GLU A 128 112.152 37.507 23.447 1.00 45.20 H new ATOM 0 HB3 GLU A 128 112.834 36.692 22.305 1.00 45.20 H new ATOM 0 HG2 GLU A 128 112.271 38.492 21.180 1.00 53.50 H new ATOM 0 HG3 GLU A 128 111.018 37.611 20.888 1.00 53.50 H new ATOM 1012 N VAL A 129 109.194 34.826 21.703 1.00 29.55 N ANISOU 1012 N VAL A 129 4324 3960 2944 -1000 -204 -451 N ATOM 1013 CA VAL A 129 108.532 34.161 20.574 1.00 25.97 C ANISOU 1013 CA VAL A 129 3873 3451 2542 -956 -215 -409 C ATOM 1014 C VAL A 129 107.060 34.556 20.423 1.00 19.92 C ANISOU 1014 C VAL A 129 3159 2622 1787 -954 -175 -369 C ATOM 1015 O VAL A 129 106.417 34.995 21.379 1.00 22.99 O ANISOU 1015 O VAL A 129 3577 3012 2146 -971 -153 -372 O ATOM 1016 CB VAL A 129 108.605 32.621 20.695 1.00 24.31 C ANISOU 1016 CB VAL A 129 3628 3257 2350 -902 -294 -388 C ATOM 1017 CG1 VAL A 129 109.998 32.124 20.382 1.00 30.42 C ANISOU 1017 CG1 VAL A 129 4346 4078 3136 -884 -342 -433 C ATOM 1018 CG2 VAL A 129 108.166 32.178 22.085 1.00 30.89 C ANISOU 1018 CG2 VAL A 129 4476 4121 3142 -901 -326 -369 C ATOM 0 H VAL A 129 108.714 34.875 22.415 1.00 29.55 H new ATOM 0 HA VAL A 129 109.017 34.460 19.789 1.00 25.97 H new ATOM 0 HB VAL A 129 107.998 32.232 20.046 1.00 24.31 H new ATOM 0 HG11 VAL A 129 110.023 31.158 20.463 1.00 30.42 H new ATOM 0 HG12 VAL A 129 110.237 32.378 19.477 1.00 30.42 H new ATOM 0 HG13 VAL A 129 110.629 32.517 21.005 1.00 30.42 H new ATOM 0 HG21 VAL A 129 108.216 31.211 22.148 1.00 30.89 H new ATOM 0 HG22 VAL A 129 108.749 32.576 22.751 1.00 30.89 H new ATOM 0 HG23 VAL A 129 107.253 32.465 22.243 1.00 30.89 H new ATOM 1019 N ASP A 130 106.531 34.376 19.214 1.00 17.13 N ANISOU 1019 N ASP A 130 2815 2220 1475 -931 -168 -338 N ATOM 1020 CA ASP A 130 105.192 34.845 18.872 1.00 26.90 C ANISOU 1020 CA ASP A 130 4096 3400 2724 -925 -136 -306 C ATOM 1021 C ASP A 130 104.126 34.026 19.578 1.00 32.18 C ANISOU 1021 C ASP A 130 4771 4065 3393 -901 -163 -274 C ATOM 1022 O ASP A 130 103.122 34.562 20.046 1.00 35.23 O ANISOU 1022 O ASP A 130 5195 4428 3762 -917 -132 -271 O ATOM 1023 CB ASP A 130 104.967 34.803 17.359 1.00 35.77 C ANISOU 1023 CB ASP A 130 5226 4483 3882 -910 -132 -279 C ATOM 1024 CG ASP A 130 103.543 35.198 16.965 1.00 39.50 C ANISOU 1024 CG ASP A 130 5739 4900 4368 -895 -115 -247 C ATOM 1025 OD1 ASP A 130 103.041 36.212 17.481 1.00 29.86 O ANISOU 1025 OD1 ASP A 130 4554 3658 3133 -909 -80 -268 O ATOM 1026 OD2 ASP A 130 102.923 34.492 16.142 1.00 45.17 O ANISOU 1026 OD2 ASP A 130 6452 5598 5112 -868 -139 -208 O ATOM 0 H ASP A 130 106.939 33.978 18.570 1.00 17.13 H new ATOM 0 HA ASP A 130 105.121 35.765 19.172 1.00 26.90 H new ATOM 0 HB2 ASP A 130 105.596 35.400 16.925 1.00 35.77 H new ATOM 0 HB3 ASP A 130 105.153 33.909 17.032 1.00 35.77 H new ATOM 1027 N LYS A 131 104.346 32.725 19.664 1.00 15.90 N ANISOU 1027 N LYS A 131 2678 2022 1340 -876 -217 -251 N ATOM 1028 CA LYS A 131 103.374 31.866 20.325 1.00 20.89 C ANISOU 1028 CA LYS A 131 3332 2651 1954 -882 -241 -209 C ATOM 1029 C LYS A 131 104.071 30.803 21.149 1.00 26.27 C ANISOU 1029 C LYS A 131 3992 3377 2611 -879 -300 -203 C ATOM 1030 O LYS A 131 105.204 30.410 20.857 1.00 19.51 O ANISOU 1030 O LYS A 131 3092 2546 1776 -849 -336 -231 O ATOM 1031 CB LYS A 131 102.439 31.213 19.312 1.00 18.06 C ANISOU 1031 CB LYS A 131 2985 2246 1633 -862 -252 -160 C ATOM 1032 CG LYS A 131 101.494 32.162 18.632 1.00 21.75 C ANISOU 1032 CG LYS A 131 3483 2670 2110 -869 -208 -155 C ATOM 1033 CD LYS A 131 100.344 31.377 17.994 1.00 24.38 C ANISOU 1033 CD LYS A 131 3832 2971 2460 -863 -230 -102 C ATOM 1034 CE LYS A 131 99.777 32.100 16.777 1.00 23.23 C ANISOU 1034 CE LYS A 131 3698 2787 2340 -849 -210 -97 C ATOM 1035 NZ LYS A 131 99.275 33.461 17.092 1.00 26.99 N ANISOU 1035 NZ LYS A 131 4219 3243 2795 -873 -166 -127 N ATOM 0 H LYS A 131 105.039 32.322 19.353 1.00 15.90 H new ATOM 0 HA LYS A 131 102.844 32.422 20.917 1.00 20.89 H new ATOM 0 HB2 LYS A 131 102.974 30.768 18.636 1.00 18.06 H new ATOM 0 HB3 LYS A 131 101.922 30.527 19.762 1.00 18.06 H new ATOM 0 HG2 LYS A 131 101.145 32.800 19.274 1.00 21.75 H new ATOM 0 HG3 LYS A 131 101.965 32.671 17.954 1.00 21.75 H new ATOM 0 HD2 LYS A 131 100.658 30.498 17.731 1.00 24.38 H new ATOM 0 HD3 LYS A 131 99.641 31.243 18.648 1.00 24.38 H new ATOM 0 HE2 LYS A 131 100.465 32.164 16.096 1.00 23.23 H new ATOM 0 HE3 LYS A 131 99.054 31.573 16.402 1.00 23.23 H new ATOM 0 HZ1 LYS A 131 98.891 33.811 16.369 1.00 26.99 H new ATOM 0 HZ2 LYS A 131 98.678 33.413 17.751 1.00 26.99 H new ATOM 0 HZ3 LYS A 131 99.954 33.977 17.345 1.00 26.99 H new ATOM 1036 N ILE A 132 103.366 30.358 22.184 1.00 24.92 N ANISOU 1036 N ILE A 132 3858 3220 2392 -915 -313 -170 N ATOM 1037 CA ILE A 132 103.814 29.297 23.059 1.00 21.52 C ANISOU 1037 CA ILE A 132 3425 2829 1924 -922 -378 -146 C ATOM 1038 C ILE A 132 102.857 28.134 22.922 1.00 20.32 C ANISOU 1038 C ILE A 132 3307 2638 1778 -932 -413 -75 C ATOM 1039 O ILE A 132 101.639 28.318 22.970 1.00 21.83 O ANISOU 1039 O ILE A 132 3534 2803 1957 -964 -378 -48 O ATOM 1040 CB ILE A 132 103.872 29.775 24.531 1.00 25.50 C ANISOU 1040 CB ILE A 132 3948 3392 2349 -970 -365 -161 C ATOM 1041 CG1 ILE A 132 104.995 30.797 24.712 1.00 26.19 C ANISOU 1041 CG1 ILE A 132 4002 3521 2429 -966 -343 -230 C ATOM 1042 CG2 ILE A 132 104.051 28.601 25.499 1.00 30.15 C ANISOU 1042 CG2 ILE A 132 4549 4020 2885 -985 -439 -112 C ATOM 1043 CD1 ILE A 132 104.654 31.910 25.679 1.00 30.86 C ANISOU 1043 CD1 ILE A 132 4622 4139 2965 -1019 -282 -264 C ATOM 0 H ILE A 132 102.596 30.676 22.397 1.00 24.92 H new ATOM 0 HA ILE A 132 104.711 29.026 22.806 1.00 21.52 H new ATOM 0 HB ILE A 132 103.025 30.198 24.740 1.00 25.50 H new ATOM 0 HG12 ILE A 132 105.791 30.339 25.026 1.00 26.19 H new ATOM 0 HG13 ILE A 132 105.212 31.184 23.849 1.00 26.19 H new ATOM 0 HG21 ILE A 132 104.083 28.934 26.409 1.00 30.15 H new ATOM 0 HG22 ILE A 132 103.305 27.988 25.406 1.00 30.15 H new ATOM 0 HG23 ILE A 132 104.878 28.137 25.295 1.00 30.15 H new ATOM 0 HD11 ILE A 132 105.405 32.520 25.748 1.00 30.86 H new ATOM 0 HD12 ILE A 132 103.875 32.391 25.358 1.00 30.86 H new ATOM 0 HD13 ILE A 132 104.463 31.533 26.552 1.00 30.86 H new ATOM 1044 N LEU A 133 103.414 26.949 22.708 1.00 18.57 N ANISOU 1044 N LEU A 133 3073 2408 1574 -905 -483 -50 N ATOM 1045 CA LEU A 133 102.633 25.712 22.604 1.00 18.18 C ANISOU 1045 CA LEU A 133 3062 2313 1532 -920 -529 23 C ATOM 1046 C LEU A 133 103.045 24.776 23.734 1.00 15.66 C ANISOU 1046 C LEU A 133 2767 2024 1160 -938 -606 66 C ATOM 1047 O LEU A 133 104.241 24.506 23.933 1.00 19.22 O ANISOU 1047 O LEU A 133 3185 2511 1606 -904 -660 41 O ATOM 1048 CB LEU A 133 102.831 25.036 21.225 1.00 17.76 C ANISOU 1048 CB LEU A 133 2988 2206 1553 -874 -552 23 C ATOM 1049 CG LEU A 133 102.126 23.702 20.876 1.00 14.91 C ANISOU 1049 CG LEU A 133 2669 1782 1213 -887 -604 92 C ATOM 1050 CD1 LEU A 133 101.916 23.529 19.367 1.00 19.18 C ANISOU 1050 CD1 LEU A 133 3188 2279 1822 -851 -583 78 C ATOM 1051 CD2 LEU A 133 102.882 22.497 21.415 1.00 16.97 C ANISOU 1051 CD2 LEU A 133 2948 2036 1464 -879 -702 121 C ATOM 0 H LEU A 133 104.261 26.834 22.618 1.00 18.57 H new ATOM 0 HA LEU A 133 101.689 25.922 22.683 1.00 18.18 H new ATOM 0 HB2 LEU A 133 102.564 25.682 20.552 1.00 17.76 H new ATOM 0 HB3 LEU A 133 103.784 24.890 21.116 1.00 17.76 H new ATOM 0 HG LEU A 133 101.258 23.748 21.307 1.00 14.91 H new ATOM 0 HD11 LEU A 133 101.473 22.683 19.197 1.00 19.18 H new ATOM 0 HD12 LEU A 133 101.367 24.255 19.031 1.00 19.18 H new ATOM 0 HD13 LEU A 133 102.775 23.540 18.917 1.00 19.18 H new ATOM 0 HD21 LEU A 133 102.409 21.685 21.176 1.00 16.97 H new ATOM 0 HD22 LEU A 133 103.773 22.476 21.033 1.00 16.97 H new ATOM 0 HD23 LEU A 133 102.946 22.561 22.381 1.00 16.97 H new ATOM 1052 N LEU A 134 102.054 24.290 24.477 1.00 17.89 N ANISOU 1052 N LEU A 134 3101 2298 1399 -992 -615 130 N ATOM 1053 CA LEU A 134 102.297 23.353 25.575 1.00 18.61 C ANISOU 1053 CA LEU A 134 3224 2414 1434 -1014 -690 190 C ATOM 1054 C LEU A 134 101.911 21.961 25.128 1.00 22.06 C ANISOU 1054 C LEU A 134 3702 2773 1907 -1015 -760 263 C ATOM 1055 O LEU A 134 100.743 21.688 24.840 1.00 25.05 O ANISOU 1055 O LEU A 134 4114 3107 2298 -1057 -735 300 O ATOM 1056 CB LEU A 134 101.513 23.755 26.835 1.00 19.84 C ANISOU 1056 CB LEU A 134 3409 2622 1506 -1083 -648 211 C ATOM 1057 CG LEU A 134 101.805 25.138 27.419 1.00 26.32 C ANISOU 1057 CG LEU A 134 4202 3513 2284 -1094 -579 137 C ATOM 1058 CD1 LEU A 134 101.184 25.254 28.801 1.00 27.57 C ANISOU 1058 CD1 LEU A 134 4393 3732 2350 -1164 -554 161 C ATOM 1059 CD2 LEU A 134 103.291 25.390 27.486 1.00 17.98 C ANISOU 1059 CD2 LEU A 134 3101 2502 1228 -1046 -616 90 C ATOM 0 H LEU A 134 101.226 24.492 24.361 1.00 17.89 H new ATOM 0 HA LEU A 134 103.239 23.372 25.804 1.00 18.61 H new ATOM 0 HB2 LEU A 134 100.566 23.708 26.629 1.00 19.84 H new ATOM 0 HB3 LEU A 134 101.687 23.094 27.523 1.00 19.84 H new ATOM 0 HG LEU A 134 101.414 25.809 26.838 1.00 26.32 H new ATOM 0 HD11 LEU A 134 101.372 26.132 29.168 1.00 27.57 H new ATOM 0 HD12 LEU A 134 100.224 25.129 28.736 1.00 27.57 H new ATOM 0 HD13 LEU A 134 101.559 24.575 29.383 1.00 27.57 H new ATOM 0 HD21 LEU A 134 103.454 26.271 27.859 1.00 17.98 H new ATOM 0 HD22 LEU A 134 103.708 24.719 28.049 1.00 17.98 H new ATOM 0 HD23 LEU A 134 103.668 25.342 26.594 1.00 17.98 H new ATOM 1060 N ASP A 135 102.905 21.085 25.058 1.00 18.87 N ANISOU 1060 N ASP A 135 3295 2354 1521 -970 -852 281 N ATOM 1061 CA ASP A 135 102.702 19.733 24.577 1.00 20.32 C ANISOU 1061 CA ASP A 135 3525 2448 1749 -963 -932 345 C ATOM 1062 C ASP A 135 102.394 18.804 25.748 1.00 22.71 C ANISOU 1062 C ASP A 135 3886 2746 1996 -999 -995 441 C ATOM 1063 O ASP A 135 103.301 18.364 26.463 1.00 21.27 O ANISOU 1063 O ASP A 135 3703 2594 1784 -964 -1072 471 O ATOM 1064 CB ASP A 135 103.934 19.245 23.818 1.00 24.80 C ANISOU 1064 CB ASP A 135 4059 2990 2375 -888 -1005 308 C ATOM 1065 CG ASP A 135 103.596 18.212 22.765 1.00 32.83 C ANISOU 1065 CG ASP A 135 5113 3897 3465 -878 -1053 332 C ATOM 1066 OD1 ASP A 135 102.443 17.745 22.730 1.00 33.24 O ANISOU 1066 OD1 ASP A 135 5222 3891 3516 -934 -1042 392 O ATOM 1067 OD2 ASP A 135 104.491 17.873 21.968 1.00 39.66 O ANISOU 1067 OD2 ASP A 135 5945 4736 4389 -819 -1101 283 O ATOM 0 H ASP A 135 103.715 21.261 25.289 1.00 18.87 H new ATOM 0 HA ASP A 135 101.948 19.728 23.967 1.00 20.32 H new ATOM 0 HB2 ASP A 135 104.371 20.001 23.396 1.00 24.80 H new ATOM 0 HB3 ASP A 135 104.568 18.866 24.447 1.00 24.80 H new ATOM 1068 N THR A 136 101.109 18.534 25.955 1.00 21.16 N ANISOU 1068 N THR A 136 3635 2521 1885 -635 111 -305 N ATOM 1069 CA THR A 136 100.669 17.655 27.034 1.00 21.78 C ANISOU 1069 CA THR A 136 3812 2550 1912 -668 161 -295 C ATOM 1070 C THR A 136 100.890 16.180 26.696 1.00 20.80 C ANISOU 1070 C THR A 136 3669 2429 1805 -704 111 -282 C ATOM 1071 O THR A 136 100.944 15.806 25.535 1.00 26.79 O ANISOU 1071 O THR A 136 4334 3239 2608 -718 66 -284 O ATOM 1072 CB THR A 136 99.186 17.873 27.349 1.00 22.36 C ANISOU 1072 CB THR A 136 3927 2641 1928 -717 295 -304 C ATOM 1073 OG1 THR A 136 98.424 17.676 26.157 1.00 26.81 O ANISOU 1073 OG1 THR A 136 4395 3288 2503 -777 312 -313 O ATOM 1074 CG2 THR A 136 98.970 19.271 27.810 1.00 19.85 C ANISOU 1074 CG2 THR A 136 3641 2309 1593 -658 357 -312 C ATOM 0 H THR A 136 100.470 18.853 25.476 1.00 21.16 H new ATOM 0 HA THR A 136 101.206 17.881 27.810 1.00 21.78 H new ATOM 0 HB THR A 136 98.912 17.249 28.040 1.00 22.36 H new ATOM 0 HG1 THR A 136 98.437 18.378 25.696 1.00 26.81 H new ATOM 0 HG21 THR A 136 98.030 19.405 28.008 1.00 19.85 H new ATOM 0 HG22 THR A 136 99.495 19.433 28.609 1.00 19.85 H new ATOM 0 HG23 THR A 136 99.244 19.888 27.113 1.00 19.85 H new ATOM 1075 N GLY A 137 101.008 15.346 27.725 1.00 24.43 N ANISOU 1075 N GLY A 137 4226 2829 2227 -716 120 -267 N ATOM 1076 CA GLY A 137 101.318 13.941 27.533 1.00 29.30 C ANISOU 1076 CA GLY A 137 4845 3433 2854 -738 70 -253 C ATOM 1077 C GLY A 137 100.146 12.989 27.690 1.00 34.21 C ANISOU 1077 C GLY A 137 5528 4044 3425 -841 138 -248 C ATOM 1078 O GLY A 137 98.988 13.374 27.553 1.00 41.11 O ANISOU 1078 O GLY A 137 6397 4954 4268 -905 227 -262 O ATOM 0 H GLY A 137 100.911 15.580 28.547 1.00 24.43 H new ATOM 0 HA2 GLY A 137 101.692 13.826 26.645 1.00 29.30 H new ATOM 0 HA3 GLY A 137 102.008 13.688 28.166 1.00 29.30 H new ATOM 1079 N VAL A 138 100.459 11.732 27.978 1.00 29.40 N ANISOU 1079 N VAL A 138 4975 3391 2804 -858 101 -229 N ATOM 1080 CA VAL A 138 99.452 10.690 28.045 1.00 30.18 C ANISOU 1080 CA VAL A 138 5135 3476 2857 -969 153 -222 C ATOM 1081 C VAL A 138 99.417 10.072 29.434 1.00 27.42 C ANISOU 1081 C VAL A 138 4944 3036 2440 -991 192 -202 C ATOM 1082 O VAL A 138 100.070 10.557 30.359 1.00 27.06 O ANISOU 1082 O VAL A 138 4955 2942 2383 -921 183 -196 O ATOM 1083 CB VAL A 138 99.716 9.584 27.013 1.00 37.51 C ANISOU 1083 CB VAL A 138 6000 4425 3826 -981 73 -213 C ATOM 1084 CG1 VAL A 138 99.767 10.173 25.612 1.00 32.14 C ANISOU 1084 CG1 VAL A 138 5167 3828 3214 -951 33 -230 C ATOM 1085 CG2 VAL A 138 101.016 8.853 27.339 1.00 43.66 C ANISOU 1085 CG2 VAL A 138 6811 5154 4623 -893 -11 -197 C ATOM 0 H VAL A 138 101.260 11.462 28.139 1.00 29.40 H new ATOM 0 HA VAL A 138 98.597 11.104 27.847 1.00 30.18 H new ATOM 0 HB VAL A 138 98.989 8.943 27.049 1.00 37.51 H new ATOM 0 HG11 VAL A 138 99.934 9.466 24.969 1.00 32.14 H new ATOM 0 HG12 VAL A 138 98.920 10.600 25.409 1.00 32.14 H new ATOM 0 HG13 VAL A 138 100.480 10.829 25.562 1.00 32.14 H new ATOM 0 HG21 VAL A 138 101.171 8.158 26.680 1.00 43.66 H new ATOM 0 HG22 VAL A 138 101.754 9.482 27.324 1.00 43.66 H new ATOM 0 HG23 VAL A 138 100.951 8.454 28.221 1.00 43.66 H new ATOM 1086 N GLY A 139 98.652 8.998 29.575 1.00 30.71 N ANISOU 1086 N GLY A 139 5434 3426 2810 -1096 233 -191 N ATOM 1087 CA GLY A 139 98.509 8.346 30.858 1.00 26.77 C ANISOU 1087 CA GLY A 139 5095 2834 2244 -1129 278 -172 C ATOM 1088 C GLY A 139 97.803 9.251 31.840 1.00 28.15 C ANISOU 1088 C GLY A 139 5316 3003 2378 -1121 401 -183 C ATOM 1089 O GLY A 139 97.336 10.332 31.488 1.00 38.10 O ANISOU 1089 O GLY A 139 6483 4336 3660 -1095 460 -196 O ATOM 0 H GLY A 139 98.208 8.633 28.935 1.00 30.71 H new ATOM 0 HA2 GLY A 139 98.009 7.522 30.753 1.00 26.77 H new ATOM 0 HA3 GLY A 139 99.383 8.105 31.203 1.00 26.77 H new ATOM 1090 N SER A 140 97.744 8.806 33.084 1.00 22.94 N ANISOU 1090 N SER A 140 4794 2258 1663 -1127 441 -170 N ATOM 1091 CA SER A 140 97.012 9.511 34.127 1.00 33.80 C ANISOU 1091 CA SER A 140 6210 3629 3003 -1103 569 -167 C ATOM 1092 C SER A 140 97.703 10.815 34.483 1.00 34.49 C ANISOU 1092 C SER A 140 6288 3709 3107 -995 543 -180 C ATOM 1093 O SER A 140 97.096 11.717 35.065 1.00 33.91 O ANISOU 1093 O SER A 140 6215 3652 3018 -957 647 -181 O ATOM 1094 CB SER A 140 96.867 8.625 35.364 1.00 43.72 C ANISOU 1094 CB SER A 140 7624 4793 4193 -1133 605 -152 C ATOM 1095 OG SER A 140 98.134 8.358 35.942 1.00 43.76 O ANISOU 1095 OG SER A 140 7741 4700 4186 -1082 488 -149 O ATOM 0 H SER A 140 98.128 8.084 33.351 1.00 22.94 H new ATOM 0 HA SER A 140 96.127 9.721 33.791 1.00 33.80 H new ATOM 0 HB2 SER A 140 96.295 9.062 36.015 1.00 43.72 H new ATOM 0 HB3 SER A 140 96.435 7.791 35.121 1.00 43.72 H new ATOM 0 HG SER A 140 98.036 7.872 36.620 1.00 43.76 H new ATOM 1096 N GLY A 141 98.977 10.919 34.115 1.00 28.87 N ANISOU 1096 N GLY A 141 5551 2982 2435 -938 407 -180 N ATOM 1097 CA GLY A 141 99.733 12.137 34.337 1.00 29.44 C ANISOU 1097 CA GLY A 141 5595 3060 2531 -844 366 -187 C ATOM 1098 C GLY A 141 99.204 13.294 33.506 1.00 30.86 C ANISOU 1098 C GLY A 141 5652 3326 2748 -824 414 -210 C ATOM 1099 O GLY A 141 99.685 14.422 33.613 1.00 34.21 O ANISOU 1099 O GLY A 141 6052 3756 3190 -755 391 -220 O ATOM 0 H GLY A 141 99.421 10.289 33.733 1.00 28.87 H new ATOM 0 HA2 GLY A 141 99.697 12.372 35.277 1.00 29.44 H new ATOM 0 HA3 GLY A 141 100.665 11.983 34.119 1.00 29.44 H new ATOM 1100 N ARG A 142 98.202 13.014 32.682 1.00 28.54 N ANISOU 1100 N ARG A 142 5284 3099 2463 -891 480 -216 N ATOM 1101 CA ARG A 142 97.633 14.017 31.790 1.00 23.89 C ANISOU 1101 CA ARG A 142 4571 2599 1908 -877 528 -230 C ATOM 1102 C ARG A 142 96.833 15.068 32.539 1.00 30.43 C ANISOU 1102 C ARG A 142 5415 3433 2714 -829 661 -225 C ATOM 1103 O ARG A 142 96.864 16.236 32.170 1.00 30.52 O ANISOU 1103 O ARG A 142 5367 3479 2751 -771 669 -238 O ATOM 1104 CB ARG A 142 96.753 13.355 30.738 1.00 24.25 C ANISOU 1104 CB ARG A 142 4521 2725 1968 -968 566 -221 C ATOM 1105 CG ARG A 142 96.328 14.291 29.653 1.00 28.68 C ANISOU 1105 CG ARG A 142 4943 3384 2572 -956 592 -228 C ATOM 1106 CD ARG A 142 95.760 13.553 28.467 1.00 30.77 C ANISOU 1106 CD ARG A 142 5076 3721 2896 -1038 568 -209 C ATOM 1107 NE ARG A 142 95.106 14.485 27.561 1.00 25.12 N ANISOU 1107 NE ARG A 142 4179 3090 2276 -1005 593 -196 N ATOM 1108 CZ ARG A 142 95.727 15.134 26.585 1.00 23.17 C ANISOU 1108 CZ ARG A 142 3862 2875 2066 -963 497 -225 C ATOM 1109 NH1 ARG A 142 97.027 14.945 26.382 1.00 28.77 N ANISOU 1109 NH1 ARG A 142 4654 3545 2731 -948 376 -270 N ATOM 1110 NH2 ARG A 142 95.052 15.975 25.817 1.00 23.65 N ANISOU 1110 NH2 ARG A 142 3770 3007 2208 -933 523 -207 N ATOM 0 H ARG A 142 97.833 12.239 32.624 1.00 28.54 H new ATOM 0 HA ARG A 142 98.377 14.465 31.358 1.00 23.89 H new ATOM 0 HB2 ARG A 142 97.234 12.610 30.345 1.00 24.25 H new ATOM 0 HB3 ARG A 142 95.965 12.988 31.168 1.00 24.25 H new ATOM 0 HG2 ARG A 142 95.663 14.907 29.999 1.00 28.68 H new ATOM 0 HG3 ARG A 142 97.088 14.823 29.369 1.00 28.68 H new ATOM 0 HD2 ARG A 142 96.469 13.082 28.001 1.00 30.77 H new ATOM 0 HD3 ARG A 142 95.125 12.884 28.768 1.00 30.77 H new ATOM 0 HE ARG A 142 94.264 14.624 27.665 1.00 25.12 H new ATOM 0 HH11 ARG A 142 97.466 14.402 26.884 1.00 28.77 H new ATOM 0 HH12 ARG A 142 97.429 15.366 25.749 1.00 28.77 H new ATOM 0 HH21 ARG A 142 94.212 16.100 25.951 1.00 23.65 H new ATOM 0 HH22 ARG A 142 95.454 16.396 25.184 1.00 23.65 H new ATOM 1111 N ARG A 143 96.111 14.670 33.586 1.00 22.38 N ANISOU 1111 N ARG A 143 4473 2378 1651 -846 768 -203 N ATOM 1112 CA ARG A 143 95.342 15.659 34.335 1.00 21.03 C ANISOU 1112 CA ARG A 143 4309 2213 1468 -786 900 -193 C ATOM 1113 C ARG A 143 96.284 16.622 35.058 1.00 27.66 C ANISOU 1113 C ARG A 143 5246 2980 2283 -701 836 -217 C ATOM 1114 O ARG A 143 95.995 17.817 35.174 1.00 30.32 O ANISOU 1114 O ARG A 143 5563 3332 2626 -635 893 -224 O ATOM 1115 CB ARG A 143 94.370 14.978 35.304 1.00 32.76 C ANISOU 1115 CB ARG A 143 5845 3682 2920 -821 1029 -158 C ATOM 1116 CG ARG A 143 93.109 14.541 34.575 1.00 29.71 C ANISOU 1116 CG ARG A 143 5300 3395 2593 -887 1133 -116 C ATOM 1117 CD ARG A 143 92.063 13.930 35.481 1.00 38.11 C ANISOU 1117 CD ARG A 143 6379 4457 3645 -922 1268 -71 C ATOM 1118 NE ARG A 143 92.287 14.262 36.879 1.00 46.15 N ANISOU 1118 NE ARG A 143 7556 5390 4587 -861 1308 -84 N ATOM 1119 CZ ARG A 143 91.832 13.517 37.875 1.00 49.24 C ANISOU 1119 CZ ARG A 143 8033 5742 4934 -896 1382 -58 C ATOM 1120 NH1 ARG A 143 91.181 12.401 37.584 1.00 59.34 N ANISOU 1120 NH1 ARG A 143 9248 7056 6241 -992 1414 -19 N ATOM 1121 NH2 ARG A 143 92.060 13.844 39.145 1.00 31.68 N ANISOU 1121 NH2 ARG A 143 5962 3438 2637 -843 1414 -70 N ATOM 0 H ARG A 143 96.054 13.861 33.871 1.00 22.38 H new ATOM 0 HA ARG A 143 94.807 16.176 33.713 1.00 21.03 H new ATOM 0 HB2 ARG A 143 94.797 14.209 35.712 1.00 32.76 H new ATOM 0 HB3 ARG A 143 94.140 15.588 36.022 1.00 32.76 H new ATOM 0 HG2 ARG A 143 92.725 15.308 34.122 1.00 29.71 H new ATOM 0 HG3 ARG A 143 93.348 13.897 33.890 1.00 29.71 H new ATOM 0 HD2 ARG A 143 91.184 14.241 35.213 1.00 38.11 H new ATOM 0 HD3 ARG A 143 92.068 12.966 35.374 1.00 38.11 H new ATOM 0 HE ARG A 143 92.734 14.972 37.067 1.00 46.15 H new ATOM 0 HH11 ARG A 143 91.062 12.174 36.763 1.00 59.34 H new ATOM 0 HH12 ARG A 143 90.877 11.903 38.216 1.00 59.34 H new ATOM 0 HH21 ARG A 143 92.511 14.552 39.332 1.00 31.68 H new ATOM 0 HH22 ARG A 143 91.756 13.347 39.778 1.00 31.68 H new ATOM 1122 N HIS A 144 97.414 16.097 35.524 1.00 26.76 N ANISOU 1122 N HIS A 144 5228 2790 2149 -705 714 -222 N ATOM 1123 CA HIS A 144 98.513 16.917 36.024 1.00 30.39 C ANISOU 1123 CA HIS A 144 5745 3196 2606 -639 622 -230 C ATOM 1124 C HIS A 144 98.979 17.939 34.991 1.00 22.90 C ANISOU 1124 C HIS A 144 4682 2304 1715 -600 558 -247 C ATOM 1125 O HIS A 144 99.248 19.090 35.330 1.00 26.02 O ANISOU 1125 O HIS A 144 5101 2678 2105 -542 555 -256 O ATOM 1126 CB HIS A 144 99.682 16.024 36.429 1.00 28.79 C ANISOU 1126 CB HIS A 144 5612 2931 2396 -653 496 -216 C ATOM 1127 CG HIS A 144 100.985 16.744 36.547 1.00 31.10 C ANISOU 1127 CG HIS A 144 5900 3205 2711 -595 377 -215 C ATOM 1128 ND1 HIS A 144 101.408 17.331 37.721 1.00 36.51 N ANISOU 1128 ND1 HIS A 144 6701 3820 3350 -555 370 -209 N ATOM 1129 CD2 HIS A 144 101.964 16.969 35.639 1.00 35.43 C ANISOU 1129 CD2 HIS A 144 6336 3802 3323 -572 266 -218 C ATOM 1130 CE1 HIS A 144 102.591 17.884 37.532 1.00 40.22 C ANISOU 1130 CE1 HIS A 144 7129 4299 3855 -518 257 -209 C ATOM 1131 NE2 HIS A 144 102.949 17.685 36.274 1.00 42.48 N ANISOU 1131 NE2 HIS A 144 7271 4660 4210 -525 198 -214 N ATOM 0 H HIS A 144 97.565 15.251 35.559 1.00 26.76 H new ATOM 0 HA HIS A 144 98.187 17.406 36.796 1.00 30.39 H new ATOM 0 HB2 HIS A 144 99.477 15.604 37.279 1.00 28.79 H new ATOM 0 HB3 HIS A 144 99.774 15.312 35.776 1.00 28.79 H new ATOM 0 HD1 HIS A 144 100.969 17.336 38.461 1.00 36.51 H new ATOM 0 HD2 HIS A 144 101.969 16.691 34.752 1.00 35.43 H new ATOM 0 HE1 HIS A 144 103.089 18.337 38.174 1.00 40.22 H new ATOM 1132 N ASP A 145 99.091 17.505 33.739 1.00 19.74 N ANISOU 1132 N ASP A 145 4166 1968 1366 -635 504 -252 N ATOM 1133 CA ASP A 145 99.542 18.379 32.647 1.00 21.37 C ANISOU 1133 CA ASP A 145 4260 2231 1629 -604 440 -268 C ATOM 1134 C ASP A 145 98.542 19.481 32.381 1.00 21.87 C ANISOU 1134 C ASP A 145 4285 2335 1689 -575 551 -280 C ATOM 1135 O ASP A 145 98.919 20.613 32.062 1.00 27.44 O ANISOU 1135 O ASP A 145 4962 3047 2416 -526 519 -293 O ATOM 1136 CB ASP A 145 99.757 17.595 31.358 1.00 21.52 C ANISOU 1136 CB ASP A 145 4168 2311 1697 -649 370 -270 C ATOM 1137 CG ASP A 145 100.927 16.640 31.438 1.00 25.37 C ANISOU 1137 CG ASP A 145 4663 2770 2206 -648 252 -254 C ATOM 1138 OD1 ASP A 145 101.685 16.698 32.429 1.00 27.18 O ANISOU 1138 OD1 ASP A 145 4973 2940 2414 -612 213 -243 O ATOM 1139 OD2 ASP A 145 101.087 15.835 30.495 1.00 27.34 O ANISOU 1139 OD2 ASP A 145 4835 3061 2494 -677 201 -252 O ATOM 0 H ASP A 145 98.910 16.701 33.495 1.00 19.74 H new ATOM 0 HA ASP A 145 100.385 18.766 32.931 1.00 21.37 H new ATOM 0 HB2 ASP A 145 98.952 17.096 31.150 1.00 21.52 H new ATOM 0 HB3 ASP A 145 99.902 18.216 30.627 1.00 21.52 H new ATOM 1140 N TYR A 146 97.262 19.133 32.486 1.00 21.82 N ANISOU 1140 N TYR A 146 4265 2362 1662 -603 687 -268 N ATOM 1141 CA TYR A 146 96.181 20.096 32.348 1.00 20.87 C ANISOU 1141 CA TYR A 146 4090 2290 1551 -561 821 -262 C ATOM 1142 C TYR A 146 96.256 21.184 33.419 1.00 25.22 C ANISOU 1142 C TYR A 146 4741 2773 2067 -479 862 -270 C ATOM 1143 O TYR A 146 96.051 22.362 33.132 1.00 23.40 O ANISOU 1143 O TYR A 146 4481 2557 1852 -418 894 -280 O ATOM 1144 CB TYR A 146 94.821 19.405 32.426 1.00 21.11 C ANISOU 1144 CB TYR A 146 4059 2375 1588 -605 968 -226 C ATOM 1145 CG TYR A 146 94.361 18.727 31.149 1.00 24.55 C ANISOU 1145 CG TYR A 146 4351 2903 2074 -684 964 -207 C ATOM 1146 CD1 TYR A 146 95.090 18.838 29.967 1.00 31.05 C ANISOU 1146 CD1 TYR A 146 5117 3760 2920 -702 843 -232 C ATOM 1147 CD2 TYR A 146 93.187 17.987 31.119 1.00 32.32 C ANISOU 1147 CD2 TYR A 146 5245 3943 3093 -746 1076 -159 C ATOM 1148 CE1 TYR A 146 94.662 18.215 28.798 1.00 29.07 C ANISOU 1148 CE1 TYR A 146 4709 3587 2750 -765 805 -211 C ATOM 1149 CE2 TYR A 146 92.752 17.364 29.954 1.00 30.12 C ANISOU 1149 CE2 TYR A 146 4812 3743 2889 -824 1047 -135 C ATOM 1150 CZ TYR A 146 93.494 17.484 28.797 1.00 29.43 C ANISOU 1150 CZ TYR A 146 4658 3679 2846 -822 895 -162 C ATOM 1151 OH TYR A 146 93.064 16.869 27.640 1.00 29.28 O ANISOU 1151 OH TYR A 146 4478 3729 2920 -884 834 -140 O ATOM 0 H TYR A 146 96.998 18.329 32.640 1.00 21.82 H new ATOM 0 HA TYR A 146 96.282 20.510 31.477 1.00 20.87 H new ATOM 0 HB2 TYR A 146 94.852 18.742 33.133 1.00 21.11 H new ATOM 0 HB3 TYR A 146 94.156 20.062 32.683 1.00 21.11 H new ATOM 0 HD1 TYR A 146 95.875 19.336 29.959 1.00 31.05 H new ATOM 0 HD2 TYR A 146 92.680 17.906 31.895 1.00 32.32 H new ATOM 0 HE1 TYR A 146 95.164 18.292 28.019 1.00 29.07 H new ATOM 0 HE2 TYR A 146 91.965 16.869 29.955 1.00 30.12 H new ATOM 0 HH TYR A 146 92.656 16.161 27.834 1.00 29.28 H new ATOM 1152 N ARG A 147 96.534 20.793 34.659 1.00 29.87 N ANISOU 1152 N ARG A 147 5458 3285 2606 -479 861 -264 N ATOM 1153 CA ARG A 147 96.588 21.766 35.746 1.00 30.72 C ANISOU 1153 CA ARG A 147 5676 3324 2673 -410 899 -270 C ATOM 1154 C ARG A 147 97.825 22.654 35.591 1.00 32.72 C ANISOU 1154 C ARG A 147 5955 3539 2939 -378 763 -287 C ATOM 1155 O ARG A 147 97.764 23.869 35.797 1.00 32.85 O ANISOU 1155 O ARG A 147 6004 3532 2947 -318 789 -298 O ATOM 1156 CB ARG A 147 96.564 21.048 37.110 1.00 36.79 C ANISOU 1156 CB ARG A 147 6581 4019 3378 -426 933 -256 C ATOM 1157 CG ARG A 147 95.313 20.183 37.304 1.00 26.75 C ANISOU 1157 CG ARG A 147 5276 2790 2098 -464 1076 -231 C ATOM 1158 CD ARG A 147 95.241 19.469 38.651 1.00 34.04 C ANISOU 1158 CD ARG A 147 6343 3638 2953 -482 1117 -217 C ATOM 1159 NE ARG A 147 94.073 18.588 38.686 1.00 45.99 N ANISOU 1159 NE ARG A 147 7799 5204 4471 -531 1247 -186 N ATOM 1160 CZ ARG A 147 92.856 18.965 39.076 1.00 50.39 C ANISOU 1160 CZ ARG A 147 8313 5802 5030 -498 1414 -163 C ATOM 1161 NH1 ARG A 147 92.639 20.210 39.486 1.00 52.19 N ANISOU 1161 NH1 ARG A 147 8568 6014 5246 -409 1474 -176 N ATOM 1162 NH2 ARG A 147 91.851 18.098 39.056 1.00 51.88 N ANISOU 1162 NH2 ARG A 147 8425 6048 5238 -554 1521 -124 N ATOM 0 H ARG A 147 96.693 19.980 34.891 1.00 29.87 H new ATOM 0 HA ARG A 147 95.805 22.338 35.706 1.00 30.72 H new ATOM 0 HB2 ARG A 147 97.354 20.490 37.191 1.00 36.79 H new ATOM 0 HB3 ARG A 147 96.609 21.708 37.819 1.00 36.79 H new ATOM 0 HG2 ARG A 147 94.527 20.743 37.205 1.00 26.75 H new ATOM 0 HG3 ARG A 147 95.279 19.520 36.597 1.00 26.75 H new ATOM 0 HD2 ARG A 147 96.050 18.953 38.796 1.00 34.04 H new ATOM 0 HD3 ARG A 147 95.187 20.120 39.368 1.00 34.04 H new ATOM 0 HE ARG A 147 94.179 17.771 38.438 1.00 45.99 H new ATOM 0 HH11 ARG A 147 93.286 20.777 39.501 1.00 52.19 H new ATOM 0 HH12 ARG A 147 91.852 20.449 39.737 1.00 52.19 H new ATOM 0 HH21 ARG A 147 91.985 17.291 38.791 1.00 51.88 H new ATOM 0 HH22 ARG A 147 91.066 18.343 39.308 1.00 51.88 H new ATOM 1163 N VAL A 148 98.940 22.046 35.201 1.00 31.31 N ANISOU 1163 N VAL A 148 5753 3358 2786 -418 622 -286 N ATOM 1164 CA VAL A 148 100.155 22.795 34.932 1.00 31.28 C ANISOU 1164 CA VAL A 148 5734 3340 2810 -396 494 -292 C ATOM 1165 C VAL A 148 99.867 23.797 33.829 1.00 26.89 C ANISOU 1165 C VAL A 148 5083 2838 2296 -371 507 -310 C ATOM 1166 O VAL A 148 100.130 24.993 33.977 1.00 27.60 O ANISOU 1166 O VAL A 148 5207 2898 2381 -327 496 -319 O ATOM 1167 CB VAL A 148 101.323 21.869 34.534 1.00 28.75 C ANISOU 1167 CB VAL A 148 5362 3034 2528 -433 359 -281 C ATOM 1168 CG1 VAL A 148 102.413 22.651 33.822 1.00 24.46 C ANISOU 1168 CG1 VAL A 148 4741 2517 2037 -414 251 -287 C ATOM 1169 CG2 VAL A 148 101.881 21.188 35.764 1.00 34.15 C ANISOU 1169 CG2 VAL A 148 6162 3647 3165 -440 326 -262 C ATOM 0 H VAL A 148 99.011 21.197 35.087 1.00 31.31 H new ATOM 0 HA VAL A 148 100.427 23.256 35.741 1.00 31.28 H new ATOM 0 HB VAL A 148 100.989 21.194 33.923 1.00 28.75 H new ATOM 0 HG11 VAL A 148 103.137 22.052 33.581 1.00 24.46 H new ATOM 0 HG12 VAL A 148 102.049 23.057 33.020 1.00 24.46 H new ATOM 0 HG13 VAL A 148 102.751 23.345 34.410 1.00 24.46 H new ATOM 0 HG21 VAL A 148 102.615 20.607 35.508 1.00 34.15 H new ATOM 0 HG22 VAL A 148 102.202 21.858 36.388 1.00 34.15 H new ATOM 0 HG23 VAL A 148 101.185 20.661 36.186 1.00 34.15 H new ATOM 1170 N SER A 149 99.265 23.305 32.751 1.00 24.78 N ANISOU 1170 N SER A 149 4707 2645 2062 -401 537 -313 N ATOM 1171 CA SER A 149 98.912 24.150 31.625 1.00 22.98 C ANISOU 1171 CA SER A 149 4389 2474 1870 -381 553 -327 C ATOM 1172 C SER A 149 97.909 25.235 32.009 1.00 22.64 C ANISOU 1172 C SER A 149 4384 2417 1802 -314 686 -331 C ATOM 1173 O SER A 149 97.900 26.318 31.437 1.00 22.97 O ANISOU 1173 O SER A 149 4402 2465 1862 -272 683 -343 O ATOM 1174 CB SER A 149 98.362 23.290 30.497 1.00 23.99 C ANISOU 1174 CB SER A 149 4402 2686 2028 -435 569 -324 C ATOM 1175 OG SER A 149 99.369 22.382 30.069 1.00 21.10 O ANISOU 1175 OG SER A 149 3997 2327 1692 -482 440 -321 O ATOM 0 H SER A 149 99.052 22.477 32.655 1.00 24.78 H new ATOM 0 HA SER A 149 99.717 24.603 31.328 1.00 22.98 H new ATOM 0 HB2 SER A 149 97.579 22.803 30.799 1.00 23.99 H new ATOM 0 HB3 SER A 149 98.080 23.850 29.757 1.00 23.99 H new ATOM 0 HG SER A 149 99.383 21.717 30.582 1.00 21.10 H new ATOM 1176 N ALA A 150 97.060 24.948 32.981 1.00 27.11 N ANISOU 1176 N ALA A 150 5008 2962 2330 -297 805 -318 N ATOM 1177 CA ALA A 150 96.043 25.921 33.334 1.00 22.65 C ANISOU 1177 CA ALA A 150 4459 2394 1755 -219 944 -316 C ATOM 1178 C ALA A 150 96.676 27.121 34.018 1.00 27.01 C ANISOU 1178 C ALA A 150 5127 2859 2276 -163 900 -331 C ATOM 1179 O ALA A 150 96.258 28.267 33.800 1.00 28.83 O ANISOU 1179 O ALA A 150 5357 3084 2515 -94 953 -340 O ATOM 1180 CB ALA A 150 94.985 25.307 34.206 1.00 27.50 C ANISOU 1180 CB ALA A 150 5090 3016 2344 -216 1088 -292 C ATOM 0 H ALA A 150 97.053 24.219 33.437 1.00 27.11 H new ATOM 0 HA ALA A 150 95.614 26.221 32.517 1.00 22.65 H new ATOM 0 HB1 ALA A 150 94.319 25.977 34.427 1.00 27.50 H new ATOM 0 HB2 ALA A 150 94.561 24.574 33.733 1.00 27.50 H new ATOM 0 HB3 ALA A 150 95.391 24.974 35.022 1.00 27.50 H new ATOM 1181 N ILE A 151 97.680 26.854 34.849 1.00 22.84 N ANISOU 1181 N ILE A 151 4699 2264 1715 -191 802 -331 N ATOM 1182 CA ILE A 151 98.461 27.919 35.485 1.00 23.08 C ANISOU 1182 CA ILE A 151 4838 2215 1718 -156 738 -338 C ATOM 1183 C ILE A 151 99.172 28.757 34.444 1.00 27.45 C ANISOU 1183 C ILE A 151 5328 2785 2316 -156 640 -350 C ATOM 1184 O ILE A 151 99.117 29.987 34.458 1.00 28.32 O ANISOU 1184 O ILE A 151 5485 2858 2417 -105 654 -360 O ATOM 1185 CB ILE A 151 99.515 27.363 36.439 1.00 23.36 C ANISOU 1185 CB ILE A 151 4965 2191 1719 -195 640 -327 C ATOM 1186 CG1 ILE A 151 98.848 26.647 37.610 1.00 31.14 C ANISOU 1186 CG1 ILE A 151 6045 3139 2646 -194 737 -315 C ATOM 1187 CG2 ILE A 151 100.416 28.487 36.941 1.00 21.51 C ANISOU 1187 CG2 ILE A 151 4823 1888 1462 -171 561 -330 C ATOM 1188 CD1 ILE A 151 99.721 25.665 38.318 1.00 32.75 C ANISOU 1188 CD1 ILE A 151 6314 3304 2826 -243 648 -299 C ATOM 0 H ILE A 151 97.928 26.058 35.060 1.00 22.84 H new ATOM 0 HA ILE A 151 97.830 28.460 35.985 1.00 23.08 H new ATOM 0 HB ILE A 151 100.061 26.720 35.960 1.00 23.36 H new ATOM 0 HG12 ILE A 151 98.544 27.311 38.249 1.00 31.14 H new ATOM 0 HG13 ILE A 151 98.060 26.185 37.284 1.00 31.14 H new ATOM 0 HG21 ILE A 151 101.081 28.123 37.546 1.00 21.51 H new ATOM 0 HG22 ILE A 151 100.860 28.907 36.188 1.00 21.51 H new ATOM 0 HG23 ILE A 151 99.881 29.147 37.409 1.00 21.51 H new ATOM 0 HD11 ILE A 151 99.225 25.256 39.045 1.00 32.75 H new ATOM 0 HD12 ILE A 151 100.007 24.978 37.695 1.00 32.75 H new ATOM 0 HD13 ILE A 151 100.499 26.122 38.675 1.00 32.75 H new ATOM 1189 N ILE A 152 99.840 28.071 33.528 1.00 25.30 N ANISOU 1189 N ILE A 152 4953 2567 2091 -214 541 -348 N ATOM 1190 CA ILE A 152 100.603 28.737 32.471 1.00 28.09 C ANISOU 1190 CA ILE A 152 5236 2945 2492 -224 444 -355 C ATOM 1191 C ILE A 152 99.714 29.634 31.614 1.00 31.78 C ANISOU 1191 C ILE A 152 5663 3437 2973 -178 521 -369 C ATOM 1192 O ILE A 152 100.089 30.753 31.241 1.00 29.13 O ANISOU 1192 O ILE A 152 5347 3075 2648 -155 481 -377 O ATOM 1193 CB ILE A 152 101.288 27.708 31.558 1.00 23.09 C ANISOU 1193 CB ILE A 152 4484 2379 1911 -286 349 -349 C ATOM 1194 CG1 ILE A 152 102.145 26.753 32.386 1.00 32.62 C ANISOU 1194 CG1 ILE A 152 5725 3562 3108 -317 280 -332 C ATOM 1195 CG2 ILE A 152 102.108 28.395 30.481 1.00 21.84 C ANISOU 1195 CG2 ILE A 152 4249 2247 1802 -297 256 -353 C ATOM 1196 CD1 ILE A 152 103.317 27.421 33.039 1.00 35.58 C ANISOU 1196 CD1 ILE A 152 6162 3884 3474 -309 194 -326 C ATOM 0 H ILE A 152 99.867 27.212 33.497 1.00 25.30 H new ATOM 0 HA ILE A 152 101.272 29.283 32.912 1.00 28.09 H new ATOM 0 HB ILE A 152 100.602 27.188 31.111 1.00 23.09 H new ATOM 0 HG12 ILE A 152 101.592 26.343 33.070 1.00 32.62 H new ATOM 0 HG13 ILE A 152 102.466 26.038 31.814 1.00 32.62 H new ATOM 0 HG21 ILE A 152 102.530 27.726 29.919 1.00 21.84 H new ATOM 0 HG22 ILE A 152 101.528 28.953 29.939 1.00 21.84 H new ATOM 0 HG23 ILE A 152 102.791 28.945 30.896 1.00 21.84 H new ATOM 0 HD11 ILE A 152 103.820 26.767 33.548 1.00 35.58 H new ATOM 0 HD12 ILE A 152 103.889 27.810 32.359 1.00 35.58 H new ATOM 0 HD13 ILE A 152 103.002 28.119 33.634 1.00 35.58 H new ATOM 1197 N ALA A 153 98.525 29.127 31.310 1.00 27.30 N ANISOU 1197 N ALA A 153 5040 2925 2409 -164 637 -368 N ATOM 1198 CA ALA A 153 97.628 29.778 30.370 1.00 23.63 C ANISOU 1198 CA ALA A 153 4508 2504 1967 -117 719 -374 C ATOM 1199 C ALA A 153 97.084 31.090 30.922 1.00 25.40 C ANISOU 1199 C ALA A 153 4817 2666 2169 -21 805 -379 C ATOM 1200 O ALA A 153 96.479 31.866 30.196 1.00 25.36 O ANISOU 1200 O ALA A 153 4772 2678 2187 39 863 -382 O ATOM 1201 CB ALA A 153 96.492 28.836 29.998 1.00 23.02 C ANISOU 1201 CB ALA A 153 4329 2513 1906 -130 834 -357 C ATOM 0 H ALA A 153 98.217 28.396 31.644 1.00 27.30 H new ATOM 0 HA ALA A 153 98.136 29.993 29.572 1.00 23.63 H new ATOM 0 HB1 ALA A 153 95.898 29.277 29.371 1.00 23.02 H new ATOM 0 HB2 ALA A 153 96.856 28.035 29.589 1.00 23.02 H new ATOM 0 HB3 ALA A 153 95.997 28.595 30.796 1.00 23.02 H new ATOM 1202 N LYS A 154 97.299 31.324 32.213 1.00 23.77 N ANISOU 1202 N LYS A 154 4732 2383 1917 -2 813 -378 N ATOM 1203 CA LYS A 154 96.852 32.556 32.850 1.00 31.26 C ANISOU 1203 CA LYS A 154 5779 3261 2836 88 886 -383 C ATOM 1204 C LYS A 154 97.872 33.672 32.657 1.00 23.89 C ANISOU 1204 C LYS A 154 4917 2262 1899 85 768 -394 C ATOM 1205 O LYS A 154 97.540 34.843 32.797 1.00 27.47 O ANISOU 1205 O LYS A 154 5439 2660 2338 160 811 -400 O ATOM 1206 CB LYS A 154 96.596 32.318 34.336 1.00 37.18 C ANISOU 1206 CB LYS A 154 6640 3958 3530 106 952 -376 C ATOM 1207 CG LYS A 154 95.508 31.295 34.599 1.00 36.37 C ANISOU 1207 CG LYS A 154 6470 3918 3432 108 1084 -360 C ATOM 1208 CD LYS A 154 94.158 31.770 34.068 1.00 37.28 C ANISOU 1208 CD LYS A 154 6486 4089 3589 195 1237 -351 C ATOM 1209 CE LYS A 154 93.116 30.660 34.121 1.00 36.71 C ANISOU 1209 CE LYS A 154 6300 4104 3542 176 1360 -323 C ATOM 1210 NZ LYS A 154 93.438 29.575 33.160 1.00 32.82 N ANISOU 1210 NZ LYS A 154 5696 3687 3085 81 1288 -315 N ATOM 0 H LYS A 154 97.704 30.778 32.739 1.00 23.77 H new ATOM 0 HA LYS A 154 96.023 32.832 32.430 1.00 31.26 H new ATOM 0 HB2 LYS A 154 97.418 32.022 34.756 1.00 37.18 H new ATOM 0 HB3 LYS A 154 96.350 33.158 34.754 1.00 37.18 H new ATOM 0 HG2 LYS A 154 95.745 30.453 34.179 1.00 36.37 H new ATOM 0 HG3 LYS A 154 95.442 31.128 35.552 1.00 36.37 H new ATOM 0 HD2 LYS A 154 93.852 32.528 34.590 1.00 37.28 H new ATOM 0 HD3 LYS A 154 94.259 32.078 33.154 1.00 37.28 H new ATOM 0 HE2 LYS A 154 93.072 30.297 35.019 1.00 36.71 H new ATOM 0 HE3 LYS A 154 92.240 31.025 33.919 1.00 36.71 H new ATOM 0 HZ1 LYS A 154 92.780 28.976 33.157 1.00 32.82 H new ATOM 0 HZ2 LYS A 154 93.530 29.918 32.344 1.00 32.82 H new ATOM 0 HZ3 LYS A 154 94.198 29.180 33.402 1.00 32.82 H new ATOM 1211 N GLU A 155 99.110 33.302 32.326 1.00 25.71 N ANISOU 1211 N GLU A 155 5122 2501 2146 1 621 -392 N ATOM 1212 CA GLU A 155 100.183 34.279 32.150 1.00 23.66 C ANISOU 1212 CA GLU A 155 4910 2190 1889 -18 506 -393 C ATOM 1213 C GLU A 155 100.535 34.507 30.694 1.00 26.90 C ANISOU 1213 C GLU A 155 5219 2648 2353 -48 439 -397 C ATOM 1214 O GLU A 155 101.078 35.552 30.344 1.00 26.14 O ANISOU 1214 O GLU A 155 5161 2510 2262 -47 379 -398 O ATOM 1215 CB GLU A 155 101.450 33.850 32.889 1.00 24.69 C ANISOU 1215 CB GLU A 155 5079 2298 2006 -84 392 -380 C ATOM 1216 CG GLU A 155 101.234 33.487 34.342 1.00 21.67 C ANISOU 1216 CG GLU A 155 4807 1865 1562 -66 442 -374 C ATOM 1217 CD GLU A 155 100.527 34.579 35.107 1.00 35.01 C ANISOU 1217 CD GLU A 155 6627 3477 3197 13 533 -381 C ATOM 1218 OE1 GLU A 155 100.927 35.756 34.971 1.00 40.25 O ANISOU 1218 OE1 GLU A 155 7349 4090 3853 30 489 -386 O ATOM 1219 OE2 GLU A 155 99.559 34.256 35.829 1.00 41.73 O ANISOU 1219 OE2 GLU A 155 7521 4318 4014 59 653 -382 O ATOM 0 H GLU A 155 99.349 32.486 32.198 1.00 25.71 H new ATOM 0 HA GLU A 155 99.843 35.108 32.521 1.00 23.66 H new ATOM 0 HB2 GLU A 155 101.836 33.087 32.430 1.00 24.69 H new ATOM 0 HB3 GLU A 155 102.099 34.569 32.840 1.00 24.69 H new ATOM 0 HG2 GLU A 155 100.714 32.670 34.395 1.00 21.67 H new ATOM 0 HG3 GLU A 155 102.091 33.306 34.759 1.00 21.67 H new ATOM 1220 N TYR A 156 100.250 33.520 29.852 1.00 23.64 N ANISOU 1220 N TYR A 156 4686 2321 1976 -82 446 -397 N ATOM 1221 CA TYR A 156 100.480 33.662 28.421 1.00 25.34 C ANISOU 1221 CA TYR A 156 4807 2586 2235 -111 390 -400 C ATOM 1222 C TYR A 156 99.321 33.044 27.659 1.00 27.16 C ANISOU 1222 C TYR A 156 4949 2894 2477 -90 487 -404 C ATOM 1223 O TYR A 156 98.736 32.076 28.113 1.00 29.03 O ANISOU 1223 O TYR A 156 5156 3168 2704 -95 556 -399 O ATOM 1224 CB TYR A 156 101.792 32.994 27.995 1.00 22.78 C ANISOU 1224 CB TYR A 156 4403 2304 1950 -200 255 -388 C ATOM 1225 CG TYR A 156 103.026 33.546 28.679 1.00 29.79 C ANISOU 1225 CG TYR A 156 5352 3134 2832 -223 165 -377 C ATOM 1226 CD1 TYR A 156 103.601 34.740 28.259 1.00 29.31 C ANISOU 1226 CD1 TYR A 156 5324 3033 2779 -227 112 -376 C ATOM 1227 CD2 TYR A 156 103.628 32.858 29.736 1.00 25.31 C ANISOU 1227 CD2 TYR A 156 4813 2554 2250 -243 133 -367 C ATOM 1228 CE1 TYR A 156 104.736 35.248 28.874 1.00 27.71 C ANISOU 1228 CE1 TYR A 156 5174 2786 2569 -255 33 -365 C ATOM 1229 CE2 TYR A 156 104.768 33.359 30.364 1.00 31.62 C ANISOU 1229 CE2 TYR A 156 5666 3307 3039 -264 53 -357 C ATOM 1230 CZ TYR A 156 105.312 34.557 29.925 1.00 32.04 C ANISOU 1230 CZ TYR A 156 5744 3328 3101 -271 5 -357 C ATOM 1231 OH TYR A 156 106.440 35.060 30.525 1.00 41.31 O ANISOU 1231 OH TYR A 156 6969 4461 4264 -298 -74 -347 O ATOM 0 H TYR A 156 99.923 32.761 30.089 1.00 23.64 H new ATOM 0 HA TYR A 156 100.546 34.608 28.217 1.00 25.34 H new ATOM 0 HB2 TYR A 156 101.732 32.043 28.178 1.00 22.78 H new ATOM 0 HB3 TYR A 156 101.896 33.093 27.036 1.00 22.78 H new ATOM 0 HD1 TYR A 156 103.217 35.207 27.552 1.00 29.31 H new ATOM 0 HD2 TYR A 156 103.263 32.053 30.025 1.00 25.31 H new ATOM 0 HE1 TYR A 156 105.108 36.049 28.581 1.00 27.71 H new ATOM 0 HE2 TYR A 156 105.159 32.895 31.069 1.00 31.62 H new ATOM 0 HH TYR A 156 106.924 34.426 30.789 1.00 41.31 H new ATOM 1232 N PRO A 157 98.989 33.612 26.494 1.00 25.53 N ANISOU 1232 N PRO A 157 4687 2715 2299 -68 490 -403 N ATOM 1233 CA PRO A 157 97.971 33.049 25.605 1.00 20.74 C ANISOU 1233 CA PRO A 157 3884 2216 1781 -55 532 -357 C ATOM 1234 C PRO A 157 98.534 31.832 24.885 1.00 31.96 C ANISOU 1234 C PRO A 157 5200 3716 3228 -154 444 -352 C ATOM 1235 O PRO A 157 99.026 31.953 23.768 1.00 38.85 O ANISOU 1235 O PRO A 157 5993 4625 4142 -192 355 -339 O ATOM 1236 CB PRO A 157 97.694 34.186 24.627 1.00 22.11 C ANISOU 1236 CB PRO A 157 4000 2388 2014 -3 510 -330 C ATOM 1237 CG PRO A 157 98.997 34.919 24.556 1.00 24.70 C ANISOU 1237 CG PRO A 157 4448 2639 2298 -47 405 -358 C ATOM 1238 CD PRO A 157 99.600 34.827 25.933 1.00 17.31 C ANISOU 1238 CD PRO A 157 3692 1619 1266 -61 415 -406 C ATOM 0 HA PRO A 157 97.171 32.750 26.064 1.00 20.74 H new ATOM 0 HB2 PRO A 157 97.426 33.850 23.757 1.00 22.11 H new ATOM 0 HB3 PRO A 157 96.979 34.761 24.942 1.00 22.11 H new ATOM 0 HG2 PRO A 157 99.583 34.522 23.893 1.00 24.70 H new ATOM 0 HG3 PRO A 157 98.862 35.844 24.297 1.00 24.70 H new ATOM 0 HD2 PRO A 157 100.567 34.756 25.896 1.00 17.31 H new ATOM 0 HD3 PRO A 157 99.393 35.610 26.467 1.00 17.31 H new ATOM 1239 N ILE A 158 98.475 30.672 25.528 1.00 28.40 N ANISOU 1239 N ILE A 158 4759 3285 2747 -194 472 -361 N ATOM 1240 CA ILE A 158 99.135 29.495 24.994 1.00 22.72 C ANISOU 1240 CA ILE A 158 3973 2621 2037 -283 385 -364 C ATOM 1241 C ILE A 158 98.272 28.750 24.005 1.00 18.93 C ANISOU 1241 C ILE A 158 3312 2242 1638 -300 398 -325 C ATOM 1242 O ILE A 158 97.066 28.977 23.899 1.00 17.81 O ANISOU 1242 O ILE A 158 3087 2135 1546 -248 485 -292 O ATOM 1243 CB ILE A 158 99.562 28.512 26.118 1.00 24.11 C ANISOU 1243 CB ILE A 158 4236 2766 2159 -318 384 -382 C ATOM 1244 CG1 ILE A 158 98.359 28.064 26.951 1.00 24.87 C ANISOU 1244 CG1 ILE A 158 4361 2866 2223 -289 529 -374 C ATOM 1245 CG2 ILE A 158 100.610 29.150 27.018 1.00 24.73 C ANISOU 1245 CG2 ILE A 158 4399 2763 2235 -300 315 -379 C ATOM 1246 CD1 ILE A 158 98.190 26.554 27.074 1.00 27.06 C ANISOU 1246 CD1 ILE A 158 4594 3188 2500 -355 532 -364 C ATOM 0 H ILE A 158 98.060 30.548 26.271 1.00 28.40 H new ATOM 0 HA ILE A 158 99.924 29.826 24.536 1.00 22.72 H new ATOM 0 HB ILE A 158 99.946 27.729 25.693 1.00 24.11 H new ATOM 0 HG12 ILE A 158 98.440 28.441 27.841 1.00 24.87 H new ATOM 0 HG13 ILE A 158 97.554 28.436 26.558 1.00 24.87 H new ATOM 0 HG21 ILE A 158 100.865 28.523 27.713 1.00 24.73 H new ATOM 0 HG22 ILE A 158 101.391 29.383 26.491 1.00 24.73 H new ATOM 0 HG23 ILE A 158 100.244 29.951 27.424 1.00 24.73 H new ATOM 0 HD11 ILE A 158 97.409 26.359 27.615 1.00 27.06 H new ATOM 0 HD12 ILE A 158 98.077 26.168 26.191 1.00 27.06 H new ATOM 0 HD13 ILE A 158 98.977 26.173 27.494 1.00 27.06 H new ATOM 1247 N VAL A 159 98.930 27.874 23.259 1.00 14.06 N ANISOU 1247 N VAL A 159 2634 1672 1034 -372 306 -329 N ATOM 1248 CA VAL A 159 98.299 26.922 22.363 1.00 20.18 C ANISOU 1248 CA VAL A 159 3262 2535 1871 -410 296 -300 C ATOM 1249 C VAL A 159 98.460 25.558 23.008 1.00 18.27 C ANISOU 1249 C VAL A 159 3057 2293 1591 -466 300 -315 C ATOM 1250 O VAL A 159 99.570 25.059 23.153 1.00 21.68 O ANISOU 1250 O VAL A 159 3559 2699 1979 -508 223 -347 O ATOM 1251 CB VAL A 159 98.948 26.916 20.958 1.00 17.75 C ANISOU 1251 CB VAL A 159 2872 2275 1597 -447 188 -297 C ATOM 1252 CG1 VAL A 159 98.411 25.772 20.111 1.00 18.74 C ANISOU 1252 CG1 VAL A 159 2872 2481 1768 -495 164 -276 C ATOM 1253 CG2 VAL A 159 98.733 28.250 20.260 1.00 17.91 C ANISOU 1253 CG2 VAL A 159 2860 2293 1652 -394 182 -274 C ATOM 0 H VAL A 159 99.788 27.817 23.262 1.00 14.06 H new ATOM 0 HA VAL A 159 97.368 27.161 22.233 1.00 20.18 H new ATOM 0 HB VAL A 159 99.902 26.781 21.071 1.00 17.75 H new ATOM 0 HG11 VAL A 159 98.832 25.790 19.238 1.00 18.74 H new ATOM 0 HG12 VAL A 159 98.606 24.927 20.546 1.00 18.74 H new ATOM 0 HG13 VAL A 159 97.451 25.868 20.008 1.00 18.74 H new ATOM 0 HG21 VAL A 159 99.146 28.227 19.383 1.00 17.91 H new ATOM 0 HG22 VAL A 159 97.782 28.416 20.165 1.00 17.91 H new ATOM 0 HG23 VAL A 159 99.133 28.959 20.787 1.00 17.91 H new ATOM 1254 N LEU A 160 97.351 24.970 23.419 1.00 17.39 N ANISOU 1254 N LEU A 160 2901 2208 1500 -466 390 -290 N ATOM 1255 CA LEU A 160 97.374 23.671 24.081 1.00 16.01 C ANISOU 1255 CA LEU A 160 2770 2024 1287 -522 404 -297 C ATOM 1256 C LEU A 160 97.416 22.505 23.080 1.00 13.86 C ANISOU 1256 C LEU A 160 2397 1813 1055 -594 328 -289 C ATOM 1257 O LEU A 160 96.601 22.431 22.159 1.00 16.99 O ANISOU 1257 O LEU A 160 2655 2277 1524 -602 330 -257 O ATOM 1258 CB LEU A 160 96.154 23.547 24.986 1.00 22.36 C ANISOU 1258 CB LEU A 160 3574 2828 2094 -500 544 -270 C ATOM 1259 CG LEU A 160 95.994 22.246 25.754 1.00 20.52 C ANISOU 1259 CG LEU A 160 3394 2582 1820 -561 581 -267 C ATOM 1260 CD1 LEU A 160 97.017 22.176 26.875 1.00 15.62 C ANISOU 1260 CD1 LEU A 160 2970 1873 1093 -559 560 -307 C ATOM 1261 CD2 LEU A 160 94.574 22.194 26.276 1.00 16.87 C ANISOU 1261 CD2 LEU A 160 2870 2150 1391 -544 727 -226 C ATOM 0 H LEU A 160 96.565 25.307 23.325 1.00 17.39 H new ATOM 0 HA LEU A 160 98.187 23.618 24.608 1.00 16.01 H new ATOM 0 HB2 LEU A 160 96.179 24.274 25.627 1.00 22.36 H new ATOM 0 HB3 LEU A 160 95.361 23.676 24.442 1.00 22.36 H new ATOM 0 HG LEU A 160 96.152 21.478 25.183 1.00 20.52 H new ATOM 0 HD11 LEU A 160 96.909 21.343 27.361 1.00 15.62 H new ATOM 0 HD12 LEU A 160 97.911 22.218 26.501 1.00 15.62 H new ATOM 0 HD13 LEU A 160 96.885 22.922 27.481 1.00 15.62 H new ATOM 0 HD21 LEU A 160 94.441 21.371 26.773 1.00 16.87 H new ATOM 0 HD22 LEU A 160 94.416 22.952 26.860 1.00 16.87 H new ATOM 0 HD23 LEU A 160 93.954 22.225 25.531 1.00 16.87 H new ATOM 1262 N ALA A 161 98.352 21.583 23.284 1.00 17.41 N ANISOU 1262 N ALA A 161 2924 2235 1456 -642 259 -318 N ATOM 1263 CA ALA A 161 98.575 20.509 22.322 1.00 15.26 C ANISOU 1263 CA ALA A 161 2581 2007 1211 -701 178 -320 C ATOM 1264 C ALA A 161 98.760 19.128 22.977 1.00 13.00 C ANISOU 1264 C ALA A 161 2372 1687 879 -755 171 -331 C ATOM 1265 O ALA A 161 98.814 19.011 24.213 1.00 16.71 O ANISOU 1265 O ALA A 161 2955 2099 1297 -744 222 -334 O ATOM 1266 CB ALA A 161 99.771 20.840 21.457 1.00 27.33 C ANISOU 1266 CB ALA A 161 4093 3540 2749 -687 72 -340 C ATOM 0 H ALA A 161 98.868 21.561 23.972 1.00 17.41 H new ATOM 0 HA ALA A 161 97.773 20.448 21.779 1.00 15.26 H new ATOM 0 HB1 ALA A 161 99.917 20.124 20.819 1.00 27.33 H new ATOM 0 HB2 ALA A 161 99.607 21.669 20.981 1.00 27.33 H new ATOM 0 HB3 ALA A 161 100.557 20.939 22.016 1.00 27.33 H new ATOM 1267 N GLY A 162 98.865 18.105 22.132 1.00 20.73 N ANISOU 1267 N GLY A 162 3294 2698 1883 -804 103 -331 N ATOM 1268 CA GLY A 162 99.031 16.720 22.547 1.00 20.66 C ANISOU 1268 CA GLY A 162 3324 2651 1875 -830 85 -316 C ATOM 1269 C GLY A 162 97.743 16.009 22.910 1.00 24.07 C ANISOU 1269 C GLY A 162 3755 3099 2290 -911 164 -302 C ATOM 1270 O GLY A 162 97.035 16.426 23.830 1.00 22.45 O ANISOU 1270 O GLY A 162 3573 2881 2077 -894 270 -278 O ATOM 0 H GLY A 162 98.841 18.203 21.278 1.00 20.73 H new ATOM 0 HA2 GLY A 162 99.466 16.231 21.831 1.00 20.66 H new ATOM 0 HA3 GLY A 162 99.627 16.693 23.312 1.00 20.66 H new ATOM 1271 N GLY A 163 97.428 14.945 22.174 1.00 17.02 N ANISOU 1271 N GLY A 163 2807 2231 1427 -975 118 -293 N ATOM 1272 CA GLY A 163 96.389 14.021 22.580 1.00 24.76 C ANISOU 1272 CA GLY A 163 3775 3209 2422 -1044 180 -257 C ATOM 1273 C GLY A 163 94.962 14.509 22.454 1.00 29.24 C ANISOU 1273 C GLY A 163 4204 3840 3066 -1054 273 -207 C ATOM 1274 O GLY A 163 94.037 13.807 22.878 1.00 32.77 O ANISOU 1274 O GLY A 163 4630 4290 3532 -1118 339 -171 O ATOM 0 H GLY A 163 97.811 14.745 21.431 1.00 17.02 H new ATOM 0 HA2 GLY A 163 96.480 13.212 22.053 1.00 24.76 H new ATOM 0 HA3 GLY A 163 96.545 13.776 23.506 1.00 24.76 H new ATOM 1275 N LEU A 164 94.771 15.688 21.864 1.00 22.76 N ANISOU 1275 N LEU A 164 3287 3069 2291 -994 277 -201 N ATOM 1276 CA LEU A 164 93.427 16.248 21.684 1.00 23.10 C ANISOU 1276 CA LEU A 164 3185 3177 2416 -986 358 -153 C ATOM 1277 C LEU A 164 92.626 15.519 20.629 1.00 16.30 C ANISOU 1277 C LEU A 164 2188 2378 1629 -1061 306 -125 C ATOM 1278 O LEU A 164 93.125 15.236 19.536 1.00 19.35 O ANISOU 1278 O LEU A 164 2553 2779 2019 -1080 191 -147 O ATOM 1279 CB LEU A 164 93.500 17.718 21.299 1.00 15.66 C ANISOU 1279 CB LEU A 164 2189 2261 1499 -894 363 -155 C ATOM 1280 CG LEU A 164 94.079 18.658 22.345 1.00 23.98 C ANISOU 1280 CG LEU A 164 3366 3256 2490 -817 424 -177 C ATOM 1281 CD1 LEU A 164 93.860 20.098 21.890 1.00 20.17 C ANISOU 1281 CD1 LEU A 164 2814 2801 2049 -732 438 -169 C ATOM 1282 CD2 LEU A 164 93.433 18.378 23.699 1.00 24.90 C ANISOU 1282 CD2 LEU A 164 3544 3340 2576 -824 555 -158 C ATOM 0 H LEU A 164 95.406 16.182 21.560 1.00 22.76 H new ATOM 0 HA LEU A 164 92.979 16.142 22.538 1.00 23.10 H new ATOM 0 HB2 LEU A 164 94.032 17.796 20.492 1.00 15.66 H new ATOM 0 HB3 LEU A 164 92.605 18.020 21.079 1.00 15.66 H new ATOM 0 HG LEU A 164 95.033 18.515 22.444 1.00 23.98 H new ATOM 0 HD11 LEU A 164 94.226 20.706 22.551 1.00 20.17 H new ATOM 0 HD12 LEU A 164 94.305 20.240 21.040 1.00 20.17 H new ATOM 0 HD13 LEU A 164 92.910 20.265 21.789 1.00 20.17 H new ATOM 0 HD21 LEU A 164 93.803 18.978 24.365 1.00 24.90 H new ATOM 0 HD22 LEU A 164 92.475 18.517 23.636 1.00 24.90 H new ATOM 0 HD23 LEU A 164 93.609 17.460 23.958 1.00 24.90 H new ATOM 1283 N THR A 165 91.367 15.249 20.950 1.00 17.42 N ANISOU 1283 N THR A 165 2234 2555 1828 -1104 391 -76 N ATOM 1284 CA THR A 165 90.455 14.531 20.077 1.00 21.40 C ANISOU 1284 CA THR A 165 2602 3117 2410 -1189 346 -43 C ATOM 1285 C THR A 165 89.091 15.224 20.122 1.00 22.62 C ANISOU 1285 C THR A 165 2586 3346 2661 -1167 439 12 C ATOM 1286 O THR A 165 88.862 16.060 20.997 1.00 27.49 O ANISOU 1286 O THR A 165 3216 3958 3272 -1092 556 22 O ATOM 1287 CB THR A 165 90.333 13.058 20.503 1.00 26.31 C ANISOU 1287 CB THR A 165 3292 3698 3007 -1302 344 -37 C ATOM 1288 OG1 THR A 165 89.543 12.965 21.700 1.00 29.23 O ANISOU 1288 OG1 THR A 165 3663 4061 3382 -1322 490 3 O ATOM 1289 CG2 THR A 165 91.725 12.458 20.745 1.00 19.68 C ANISOU 1289 CG2 THR A 165 2640 2774 2065 -1298 273 -92 C ATOM 0 H THR A 165 91.013 15.484 21.698 1.00 17.42 H new ATOM 0 HA THR A 165 90.798 14.541 19.170 1.00 21.40 H new ATOM 0 HB THR A 165 89.899 12.559 19.793 1.00 26.31 H new ATOM 0 HG1 THR A 165 89.351 12.161 21.847 1.00 29.23 H new ATOM 0 HG21 THR A 165 91.635 11.530 21.013 1.00 19.68 H new ATOM 0 HG22 THR A 165 92.246 12.510 19.929 1.00 19.68 H new ATOM 0 HG23 THR A 165 92.174 12.955 21.447 1.00 19.68 H new ATOM 1290 N PRO A 166 88.187 14.911 19.175 1.00 24.51 N ANISOU 1290 N PRO A 166 2667 3656 2991 -1225 385 47 N ATOM 1291 CA PRO A 166 86.875 15.557 19.273 1.00 22.92 C ANISOU 1291 CA PRO A 166 2289 3530 2890 -1197 475 102 C ATOM 1292 C PRO A 166 86.162 15.204 20.574 1.00 32.68 C ANISOU 1292 C PRO A 166 3527 4758 4132 -1229 635 137 C ATOM 1293 O PRO A 166 85.331 15.975 21.050 1.00 38.58 O ANISOU 1293 O PRO A 166 4175 5549 4935 -1166 755 172 O ATOM 1294 CB PRO A 166 86.109 14.996 18.069 1.00 23.33 C ANISOU 1294 CB PRO A 166 2186 3650 3030 -1282 367 132 C ATOM 1295 CG PRO A 166 87.143 14.583 17.110 1.00 25.59 C ANISOU 1295 CG PRO A 166 2568 3901 3255 -1305 215 83 C ATOM 1296 CD PRO A 166 88.337 14.155 17.918 1.00 23.70 C ANISOU 1296 CD PRO A 166 2532 3570 2902 -1300 235 35 C ATOM 0 HA PRO A 166 86.942 16.525 19.272 1.00 22.92 H new ATOM 0 HB2 PRO A 166 85.552 14.245 18.328 1.00 23.33 H new ATOM 0 HB3 PRO A 166 85.522 15.666 17.684 1.00 23.33 H new ATOM 0 HG2 PRO A 166 86.825 13.855 16.553 1.00 25.59 H new ATOM 0 HG3 PRO A 166 87.374 15.314 16.516 1.00 25.59 H new ATOM 0 HD2 PRO A 166 88.339 13.198 18.074 1.00 23.70 H new ATOM 0 HD3 PRO A 166 89.169 14.370 17.468 1.00 23.70 H new ATOM 1297 N GLU A 167 86.502 14.049 21.139 1.00 31.62 N ANISOU 1297 N GLU A 167 3513 4565 3937 -1322 640 127 N ATOM 1298 CA GLU A 167 85.857 13.578 22.353 1.00 34.56 C ANISOU 1298 CA GLU A 167 3905 4923 4302 -1370 790 163 C ATOM 1299 C GLU A 167 86.451 14.160 23.638 1.00 32.58 C ANISOU 1299 C GLU A 167 3818 4606 3953 -1282 906 139 C ATOM 1300 O GLU A 167 85.765 14.210 24.660 1.00 34.64 O ANISOU 1300 O GLU A 167 4074 4871 4215 -1281 1063 174 O ATOM 1301 CB GLU A 167 85.917 12.054 22.409 1.00 39.73 C ANISOU 1301 CB GLU A 167 4630 5534 4930 -1514 742 169 C ATOM 1302 CG GLU A 167 85.295 11.376 21.202 1.00 44.74 C ANISOU 1302 CG GLU A 167 5134 6207 5658 -1574 608 188 C ATOM 1303 CD GLU A 167 86.333 10.845 20.228 1.00 50.43 C ANISOU 1303 CD GLU A 167 5954 6884 6324 -1591 434 133 C ATOM 1304 OE1 GLU A 167 87.259 11.599 19.851 1.00 44.44 O ANISOU 1304 OE1 GLU A 167 5245 6125 5517 -1533 388 91 O ATOM 1305 OE2 GLU A 167 86.220 9.665 19.837 1.00 61.15 O ANISOU 1305 OE2 GLU A 167 7344 8204 7685 -1657 348 132 O ATOM 0 H GLU A 167 87.108 13.523 20.830 1.00 31.62 H new ATOM 0 HA GLU A 167 84.939 13.888 22.310 1.00 34.56 H new ATOM 0 HB2 GLU A 167 86.844 11.777 22.484 1.00 39.73 H new ATOM 0 HB3 GLU A 167 85.464 11.749 23.211 1.00 39.73 H new ATOM 0 HG2 GLU A 167 84.733 10.644 21.501 1.00 44.74 H new ATOM 0 HG3 GLU A 167 84.719 12.007 20.743 1.00 44.74 H new ATOM 1306 N ASN A 168 87.711 14.587 23.620 1.00 21.70 N ANISOU 1306 N ASN A 168 2589 3167 2489 -1212 834 82 N ATOM 1307 CA ASN A 168 88.282 15.125 24.856 1.00 21.57 C ANISOU 1307 CA ASN A 168 2737 3082 2375 -1135 930 58 C ATOM 1308 C ASN A 168 88.696 16.607 24.817 1.00 21.10 C ANISOU 1308 C ASN A 168 2690 3022 2305 -999 938 30 C ATOM 1309 O ASN A 168 89.138 17.148 25.835 1.00 24.10 O ANISOU 1309 O ASN A 168 3211 3343 2604 -933 1014 9 O ATOM 1310 CB ASN A 168 89.474 14.268 25.315 1.00 20.76 C ANISOU 1310 CB ASN A 168 2843 2884 2159 -1176 860 16 C ATOM 1311 CG ASN A 168 90.749 14.475 24.470 1.00 24.42 C ANISOU 1311 CG ASN A 168 3366 3323 2590 -1139 700 -40 C ATOM 1312 OD1 ASN A 168 90.867 15.414 23.688 1.00 19.99 O ANISOU 1312 OD1 ASN A 168 2723 2803 2071 -1072 653 -51 O ATOM 1313 ND2 ASN A 168 91.706 13.571 24.642 1.00 24.16 N ANISOU 1313 ND2 ASN A 168 3478 3221 2481 -1181 620 -72 N ATOM 0 H ASN A 168 88.234 14.577 22.937 1.00 21.70 H new ATOM 0 HA ASN A 168 87.552 15.082 25.494 1.00 21.57 H new ATOM 0 HB2 ASN A 168 89.673 14.475 26.242 1.00 20.76 H new ATOM 0 HB3 ASN A 168 89.221 13.332 25.281 1.00 20.76 H new ATOM 0 HD21 ASN A 168 92.440 13.632 24.198 1.00 24.16 H new ATOM 0 HD22 ASN A 168 91.592 12.925 25.198 1.00 24.16 H new ATOM 1314 N VAL A 169 88.530 17.277 23.681 1.00 20.65 N ANISOU 1314 N VAL A 169 2499 3023 2323 -959 861 33 N ATOM 1315 CA VAL A 169 89.026 18.650 23.594 1.00 20.09 C ANISOU 1315 CA VAL A 169 2460 2938 2234 -838 855 6 C ATOM 1316 C VAL A 169 88.169 19.633 24.400 1.00 23.31 C ANISOU 1316 C VAL A 169 2829 3360 2666 -745 1015 31 C ATOM 1317 O VAL A 169 88.698 20.596 24.962 1.00 29.76 O ANISOU 1317 O VAL A 169 3760 4124 3423 -652 1052 1 O ATOM 1318 CB VAL A 169 89.144 19.131 22.118 1.00 29.25 C ANISOU 1318 CB VAL A 169 3506 4149 3459 -818 724 3 C ATOM 1319 CG1 VAL A 169 87.780 19.249 21.446 1.00 29.25 C ANISOU 1319 CG1 VAL A 169 3288 4244 3582 -825 746 58 C ATOM 1320 CG2 VAL A 169 89.906 20.456 22.049 1.00 18.73 C ANISOU 1320 CG2 VAL A 169 2246 2781 2089 -708 702 -29 C ATOM 0 H VAL A 169 88.148 16.972 22.973 1.00 20.65 H new ATOM 0 HA VAL A 169 89.913 18.638 23.986 1.00 20.09 H new ATOM 0 HB VAL A 169 89.644 18.459 21.628 1.00 29.25 H new ATOM 0 HG11 VAL A 169 87.895 19.550 20.531 1.00 29.25 H new ATOM 0 HG12 VAL A 169 87.342 18.384 21.449 1.00 29.25 H new ATOM 0 HG13 VAL A 169 87.235 19.888 21.930 1.00 29.25 H new ATOM 0 HG21 VAL A 169 89.972 20.744 21.125 1.00 18.73 H new ATOM 0 HG22 VAL A 169 89.433 21.129 22.564 1.00 18.73 H new ATOM 0 HG23 VAL A 169 90.797 20.337 22.415 1.00 18.73 H new ATOM 1321 N GLY A 170 86.864 19.369 24.493 1.00 26.28 N ANISOU 1321 N GLY A 170 3051 3806 3129 -772 1113 85 N ATOM 1322 CA GLY A 170 85.967 20.225 25.253 1.00 28.49 C ANISOU 1322 CA GLY A 170 3279 4108 3439 -679 1280 111 C ATOM 1323 C GLY A 170 86.394 20.356 26.696 1.00 26.24 C ANISOU 1323 C GLY A 170 3195 3739 3036 -643 1400 86 C ATOM 1324 O GLY A 170 86.600 21.461 27.199 1.00 29.77 O ANISOU 1324 O GLY A 170 3724 4146 3441 -529 1461 63 O ATOM 0 H GLY A 170 86.482 18.695 24.120 1.00 26.28 H new ATOM 0 HA2 GLY A 170 85.938 21.104 24.845 1.00 28.49 H new ATOM 0 HA3 GLY A 170 85.067 19.864 25.215 1.00 28.49 H new ATOM 1325 N GLU A 171 86.532 19.214 27.361 1.00 31.30 N ANISOU 1325 N GLU A 171 3929 4347 3618 -743 1429 91 N ATOM 1326 CA GLU A 171 87.115 19.168 28.694 1.00 32.66 C ANISOU 1326 CA GLU A 171 4324 4428 3657 -724 1512 64 C ATOM 1327 C GLU A 171 88.445 19.929 28.718 1.00 30.13 C ANISOU 1327 C GLU A 171 4172 4028 3248 -652 1411 0 C ATOM 1328 O GLU A 171 88.655 20.807 29.546 1.00 25.91 O ANISOU 1328 O GLU A 171 3761 3440 2645 -561 1489 -23 O ATOM 1329 CB GLU A 171 87.318 17.719 29.132 1.00 33.13 C ANISOU 1329 CB GLU A 171 4473 4453 3663 -854 1500 74 C ATOM 1330 CG GLU A 171 88.021 17.547 30.467 1.00 40.29 C ANISOU 1330 CG GLU A 171 5623 5256 4430 -834 1540 46 C ATOM 1331 CD GLU A 171 88.377 16.096 30.754 1.00 45.76 C ANISOU 1331 CD GLU A 171 6407 5901 5077 -944 1472 52 C ATOM 1332 OE1 GLU A 171 88.753 15.368 29.806 1.00 40.88 O ANISOU 1332 OE1 GLU A 171 5748 5298 4485 -1034 1355 48 O ATOM 1333 OE2 GLU A 171 88.266 15.681 31.929 1.00 50.48 O ANISOU 1333 OE2 GLU A 171 7123 6444 5613 -939 1533 61 O ATOM 0 H GLU A 171 86.291 18.448 27.053 1.00 31.30 H new ATOM 0 HA GLU A 171 86.506 19.595 29.316 1.00 32.66 H new ATOM 0 HB2 GLU A 171 86.452 17.285 29.179 1.00 33.13 H new ATOM 0 HB3 GLU A 171 87.830 17.257 28.450 1.00 33.13 H new ATOM 0 HG2 GLU A 171 88.829 18.083 30.475 1.00 40.29 H new ATOM 0 HG3 GLU A 171 87.450 17.883 31.176 1.00 40.29 H new ATOM 1334 N ALA A 172 89.332 19.613 27.785 1.00 30.29 N ANISOU 1334 N ALA A 172 4196 4042 3273 -694 1237 -27 N ATOM 1335 CA ALA A 172 90.635 20.256 27.770 1.00 26.24 C ANISOU 1335 CA ALA A 172 3827 3460 2684 -641 1136 -83 C ATOM 1336 C ALA A 172 90.482 21.773 27.797 1.00 27.20 C ANISOU 1336 C ALA A 172 3937 3576 2819 -518 1184 -93 C ATOM 1337 O ALA A 172 91.179 22.472 28.543 1.00 23.12 O ANISOU 1337 O ALA A 172 3587 2983 2214 -457 1198 -131 O ATOM 1338 CB ALA A 172 91.434 19.819 26.549 1.00 21.76 C ANISOU 1338 CB ALA A 172 3215 2909 2145 -693 957 -103 C ATOM 0 H ALA A 172 89.202 19.037 27.160 1.00 30.29 H new ATOM 0 HA ALA A 172 91.120 19.983 28.564 1.00 26.24 H new ATOM 0 HB1 ALA A 172 92.300 20.257 26.555 1.00 21.76 H new ATOM 0 HB2 ALA A 172 91.559 18.857 26.571 1.00 21.76 H new ATOM 0 HB3 ALA A 172 90.953 20.064 25.743 1.00 21.76 H new ATOM 1339 N ILE A 173 89.529 22.276 27.025 1.00 25.54 N ANISOU 1339 N ILE A 173 3539 3446 2721 -481 1210 -57 N ATOM 1340 CA ILE A 173 89.432 23.713 26.825 1.00 28.75 C ANISOU 1340 CA ILE A 173 3928 3846 3150 -362 1229 -66 C ATOM 1341 C ILE A 173 88.925 24.439 28.065 1.00 32.14 C ANISOU 1341 C ILE A 173 4446 4233 3531 -269 1400 -68 C ATOM 1342 O ILE A 173 89.584 25.336 28.568 1.00 33.36 O ANISOU 1342 O ILE A 173 4755 4310 3610 -196 1401 -107 O ATOM 1343 CB ILE A 173 88.537 24.053 25.622 1.00 28.89 C ANISOU 1343 CB ILE A 173 3719 3957 3301 -339 1199 -25 C ATOM 1344 CG1 ILE A 173 89.276 23.725 24.322 1.00 28.18 C ANISOU 1344 CG1 ILE A 173 3585 3888 3233 -401 1016 -36 C ATOM 1345 CG2 ILE A 173 88.118 25.529 25.646 1.00 28.77 C ANISOU 1345 CG2 ILE A 173 3683 3935 3315 -200 1262 -22 C ATOM 1346 CD1 ILE A 173 88.425 23.865 23.092 1.00 23.52 C ANISOU 1346 CD1 ILE A 173 2783 3389 2763 -398 966 6 C ATOM 0 H ILE A 173 88.936 21.809 26.613 1.00 25.54 H new ATOM 0 HA ILE A 173 90.334 24.022 26.645 1.00 28.75 H new ATOM 0 HB ILE A 173 87.730 23.517 25.674 1.00 28.89 H new ATOM 0 HG12 ILE A 173 90.046 24.309 24.241 1.00 28.18 H new ATOM 0 HG13 ILE A 173 89.613 22.817 24.371 1.00 28.18 H new ATOM 0 HG21 ILE A 173 87.555 25.718 24.879 1.00 28.77 H new ATOM 0 HG22 ILE A 173 87.625 25.712 26.461 1.00 28.77 H new ATOM 0 HG23 ILE A 173 88.908 26.090 25.613 1.00 28.77 H new ATOM 0 HD11 ILE A 173 88.951 23.644 22.308 1.00 23.52 H new ATOM 0 HD12 ILE A 173 87.667 23.263 23.153 1.00 23.52 H new ATOM 0 HD13 ILE A 173 88.107 24.779 23.021 1.00 23.52 H new ATOM 1347 N ARG A 174 87.778 24.063 28.601 1.00 41.04 N ANISOU 1347 N ARG A 174 5487 5408 4696 -272 1550 -26 N ATOM 1348 CA ARG A 174 87.321 24.835 29.757 1.00 41.30 C ANISOU 1348 CA ARG A 174 5614 5400 4677 -170 1722 -32 C ATOM 1349 C ARG A 174 88.041 24.413 31.042 1.00 32.36 C ANISOU 1349 C ARG A 174 4727 4173 3395 -200 1767 -66 C ATOM 1350 O ARG A 174 87.853 25.032 32.086 1.00 38.59 O ANISOU 1350 O ARG A 174 5619 4908 4134 -115 1840 -79 O ATOM 1351 CB ARG A 174 85.813 24.757 29.903 1.00 57.05 C ANISOU 1351 CB ARG A 174 7423 7484 6769 -143 1886 25 C ATOM 1352 CG ARG A 174 85.100 24.386 28.624 1.00 62.01 C ANISOU 1352 CG ARG A 174 7793 8223 7547 -191 1810 72 C ATOM 1353 CD ARG A 174 83.669 24.010 28.899 1.00 65.84 C ANISOU 1353 CD ARG A 174 8094 8798 8125 -200 1968 133 C ATOM 1354 NE ARG A 174 83.062 23.325 27.773 1.00 70.95 N ANISOU 1354 NE ARG A 174 8511 9544 8901 -288 1877 179 N ATOM 1355 CZ ARG A 174 81.828 22.848 27.799 1.00 78.32 C ANISOU 1355 CZ ARG A 174 9248 10571 9939 -326 1979 239 C ATOM 1356 NH1 ARG A 174 81.094 23.007 28.891 1.00 78.80 N ANISOU 1356 NH1 ARG A 174 9319 10641 9982 -273 2152 256 N ATOM 1357 NH2 ARG A 174 81.328 22.235 26.737 1.00 82.11 N ANISOU 1357 NH2 ARG A 174 9528 11135 10534 -414 1875 277 N ATOM 0 H ARG A 174 87.276 23.415 28.341 1.00 41.04 H new ATOM 0 HA ARG A 174 87.551 25.764 29.599 1.00 41.30 H new ATOM 0 HB2 ARG A 174 85.595 24.104 30.587 1.00 57.05 H new ATOM 0 HB3 ARG A 174 85.481 25.614 30.213 1.00 57.05 H new ATOM 0 HG2 ARG A 174 85.129 25.132 28.004 1.00 62.01 H new ATOM 0 HG3 ARG A 174 85.557 23.645 28.197 1.00 62.01 H new ATOM 0 HD2 ARG A 174 83.630 23.440 29.683 1.00 65.84 H new ATOM 0 HD3 ARG A 174 83.159 24.809 29.104 1.00 65.84 H new ATOM 0 HE ARG A 174 83.526 23.224 27.056 1.00 70.95 H new ATOM 0 HH11 ARG A 174 81.421 23.417 29.573 1.00 78.80 H new ATOM 0 HH12 ARG A 174 80.291 22.701 28.918 1.00 78.80 H new ATOM 0 HH21 ARG A 174 81.806 22.146 26.027 1.00 82.11 H new ATOM 0 HH22 ARG A 174 80.526 21.926 26.757 1.00 82.11 H new ATOM 1358 N TRP A 175 88.909 23.405 30.953 1.00 26.73 N ANISOU 1358 N TRP A 175 4091 3432 2631 -309 1649 -81 N ATOM 1359 CA TRP A 175 89.833 23.141 32.040 1.00 31.34 C ANISOU 1359 CA TRP A 175 4895 3914 3099 -317 1592 -118 C ATOM 1360 C TRP A 175 90.968 24.163 31.948 1.00 29.42 C ANISOU 1360 C TRP A 175 4781 3595 2801 -256 1483 -172 C ATOM 1361 O TRP A 175 91.123 25.011 32.828 1.00 30.35 O ANISOU 1361 O TRP A 175 5020 3642 2872 -174 1506 -194 O ATOM 1362 CB TRP A 175 90.348 21.699 31.977 1.00 34.18 C ANISOU 1362 CB TRP A 175 5288 4266 3433 -443 1502 -113 C ATOM 1363 CG TRP A 175 91.192 21.250 33.166 1.00 36.61 C ANISOU 1363 CG TRP A 175 5800 4469 3641 -453 1443 -140 C ATOM 1364 CD1 TRP A 175 92.068 22.010 33.895 1.00 36.56 C ANISOU 1364 CD1 TRP A 175 5954 4369 3567 -388 1381 -181 C ATOM 1365 CD2 TRP A 175 91.252 19.929 33.730 1.00 40.38 C ANISOU 1365 CD2 TRP A 175 6337 4921 4085 -538 1429 -124 C ATOM 1366 NE1 TRP A 175 92.657 21.247 34.880 1.00 41.25 N ANISOU 1366 NE1 TRP A 175 6692 4886 4096 -425 1332 -189 N ATOM 1367 CE2 TRP A 175 92.174 19.967 34.799 1.00 39.27 C ANISOU 1367 CE2 TRP A 175 6390 4672 3859 -513 1363 -157 C ATOM 1368 CE3 TRP A 175 90.609 18.719 33.440 1.00 38.00 C ANISOU 1368 CE3 TRP A 175 5942 4672 3823 -637 1461 -82 C ATOM 1369 CZ2 TRP A 175 92.465 18.845 35.575 1.00 38.56 C ANISOU 1369 CZ2 TRP A 175 6408 4526 3718 -574 1336 -151 C ATOM 1370 CZ3 TRP A 175 90.903 17.607 34.207 1.00 35.27 C ANISOU 1370 CZ3 TRP A 175 5713 4266 3420 -700 1434 -78 C ATOM 1371 CH2 TRP A 175 91.821 17.677 35.263 1.00 38.44 C ANISOU 1371 CH2 TRP A 175 6312 4560 3732 -664 1375 -113 C ATOM 0 H TRP A 175 88.975 22.873 30.281 1.00 26.73 H new ATOM 0 HA TRP A 175 89.388 23.233 32.897 1.00 31.34 H new ATOM 0 HB2 TRP A 175 89.587 21.103 31.898 1.00 34.18 H new ATOM 0 HB3 TRP A 175 90.875 21.595 31.169 1.00 34.18 H new ATOM 0 HD1 TRP A 175 92.241 22.912 33.747 1.00 36.56 H new ATOM 0 HE1 TRP A 175 93.234 21.528 35.452 1.00 41.25 H new ATOM 0 HE3 TRP A 175 89.995 18.665 32.744 1.00 38.00 H new ATOM 0 HZ2 TRP A 175 93.073 18.888 36.277 1.00 38.56 H new ATOM 0 HZ3 TRP A 175 90.484 16.798 34.019 1.00 35.27 H new ATOM 0 HH2 TRP A 175 91.997 16.913 35.763 1.00 38.44 H new ATOM 1372 N VAL A 176 91.740 24.095 30.866 1.00 32.87 N ANISOU 1372 N VAL A 176 5189 4051 3251 -302 1360 -191 N ATOM 1373 CA VAL A 176 92.917 24.950 30.691 1.00 28.02 C ANISOU 1373 CA VAL A 176 4683 3369 2593 -264 1234 -239 C ATOM 1374 C VAL A 176 92.600 26.394 30.240 1.00 31.17 C ANISOU 1374 C VAL A 176 5034 3771 3039 -159 1259 -243 C ATOM 1375 O VAL A 176 93.344 27.327 30.569 1.00 32.47 O ANISOU 1375 O VAL A 176 5335 3857 3146 -108 1213 -281 O ATOM 1376 CB VAL A 176 93.895 24.297 29.685 1.00 26.59 C ANISOU 1376 CB VAL A 176 4459 3210 2436 -347 1057 -253 C ATOM 1377 CG1 VAL A 176 95.066 25.222 29.359 1.00 18.54 C ANISOU 1377 CG1 VAL A 176 3519 2137 1386 -316 935 -295 C ATOM 1378 CG2 VAL A 176 94.405 22.973 30.237 1.00 20.88 C ANISOU 1378 CG2 VAL A 176 3819 2458 1656 -432 1012 -257 C ATOM 0 H VAL A 176 91.598 23.554 30.213 1.00 32.87 H new ATOM 0 HA VAL A 176 93.319 25.026 31.570 1.00 28.02 H new ATOM 0 HB VAL A 176 93.411 24.134 28.861 1.00 26.59 H new ATOM 0 HG11 VAL A 176 95.658 24.784 28.728 1.00 18.54 H new ATOM 0 HG12 VAL A 176 94.730 26.045 28.970 1.00 18.54 H new ATOM 0 HG13 VAL A 176 95.554 25.425 30.172 1.00 18.54 H new ATOM 0 HG21 VAL A 176 95.017 22.571 29.601 1.00 20.88 H new ATOM 0 HG22 VAL A 176 94.867 23.128 31.075 1.00 20.88 H new ATOM 0 HG23 VAL A 176 93.656 22.375 30.387 1.00 20.88 H new ATOM 1379 N LYS A 177 91.492 26.584 29.523 1.00 21.58 N ANISOU 1379 N LYS A 177 3621 2641 1937 -127 1317 -200 N ATOM 1380 CA LYS A 177 91.178 27.872 28.885 1.00 27.06 C ANISOU 1380 CA LYS A 177 4244 3343 2694 -28 1315 -195 C ATOM 1381 C LYS A 177 92.380 28.462 28.146 1.00 28.66 C ANISOU 1381 C LYS A 177 4503 3504 2882 -39 1150 -228 C ATOM 1382 O LYS A 177 92.824 29.582 28.437 1.00 26.92 O ANISOU 1382 O LYS A 177 4405 3208 2617 31 1143 -257 O ATOM 1383 CB LYS A 177 90.666 28.881 29.908 1.00 26.56 C ANISOU 1383 CB LYS A 177 4289 3220 2581 90 1463 -208 C ATOM 1384 CG LYS A 177 89.494 28.379 30.721 1.00 24.51 C ANISOU 1384 CG LYS A 177 3982 3002 2330 108 1648 -176 C ATOM 1385 CD LYS A 177 88.851 29.501 31.528 1.00 25.97 C ANISOU 1385 CD LYS A 177 4230 3141 2496 245 1781 -182 C ATOM 1386 CE LYS A 177 89.520 29.666 32.883 1.00 36.04 C ANISOU 1386 CE LYS A 177 5727 4304 3661 248 1748 -218 C ATOM 1387 NZ LYS A 177 88.521 30.039 33.948 1.00 41.13 N ANISOU 1387 NZ LYS A 177 6389 4938 4302 332 1899 -203 N ATOM 0 H LYS A 177 90.901 25.974 29.391 1.00 21.58 H new ATOM 0 HA LYS A 177 90.482 27.692 28.234 1.00 27.06 H new ATOM 0 HB2 LYS A 177 91.390 29.116 30.509 1.00 26.56 H new ATOM 0 HB3 LYS A 177 90.405 29.694 29.447 1.00 26.56 H new ATOM 0 HG2 LYS A 177 88.834 27.985 30.130 1.00 24.51 H new ATOM 0 HG3 LYS A 177 89.792 27.677 31.321 1.00 24.51 H new ATOM 0 HD2 LYS A 177 88.911 30.333 31.033 1.00 25.97 H new ATOM 0 HD3 LYS A 177 87.908 29.312 31.652 1.00 25.97 H new ATOM 0 HE2 LYS A 177 89.964 28.839 33.129 1.00 36.04 H new ATOM 0 HE3 LYS A 177 90.205 30.350 32.826 1.00 36.04 H new ATOM 0 HZ1 LYS A 177 88.939 30.129 34.729 1.00 41.13 H new ATOM 0 HZ2 LYS A 177 88.129 30.808 33.731 1.00 41.13 H new ATOM 0 HZ3 LYS A 177 87.904 29.401 34.014 1.00 41.13 H new ATOM 1388 N PRO A 178 92.921 27.703 27.189 1.00 26.45 N ANISOU 1388 N PRO A 178 4140 3272 2639 -129 1019 -222 N ATOM 1389 CA PRO A 178 94.042 28.226 26.412 1.00 18.36 C ANISOU 1389 CA PRO A 178 3150 2220 1607 -144 873 -248 C ATOM 1390 C PRO A 178 93.534 29.188 25.350 1.00 28.29 C ANISOU 1390 C PRO A 178 4282 3515 2951 -82 852 -220 C ATOM 1391 O PRO A 178 92.333 29.203 25.082 1.00 25.62 O ANISOU 1391 O PRO A 178 3803 3241 2691 -41 929 -180 O ATOM 1392 CB PRO A 178 94.621 26.970 25.769 1.00 17.35 C ANISOU 1392 CB PRO A 178 2964 2138 1491 -253 765 -248 C ATOM 1393 CG PRO A 178 93.398 26.133 25.522 1.00 21.49 C ANISOU 1393 CG PRO A 178 3332 2747 2088 -279 836 -203 C ATOM 1394 CD PRO A 178 92.519 26.359 26.723 1.00 24.01 C ANISOU 1394 CD PRO A 178 3701 3042 2381 -221 1001 -192 C ATOM 0 HA PRO A 178 94.690 28.718 26.940 1.00 18.36 H new ATOM 0 HB2 PRO A 178 95.093 27.171 24.946 1.00 17.35 H new ATOM 0 HB3 PRO A 178 95.252 26.523 26.355 1.00 17.35 H new ATOM 0 HG2 PRO A 178 92.950 26.400 24.704 1.00 21.49 H new ATOM 0 HG3 PRO A 178 93.628 25.195 25.427 1.00 21.49 H new ATOM 0 HD2 PRO A 178 91.578 26.328 26.489 1.00 24.01 H new ATOM 0 HD3 PRO A 178 92.664 25.685 27.405 1.00 24.01 H new ATOM 1395 N ALA A 179 94.435 29.953 24.741 1.00 23.19 N ANISOU 1395 N ALA A 179 3684 2833 2295 -78 746 -238 N ATOM 1396 CA ALA A 179 94.074 30.868 23.668 1.00 27.73 C ANISOU 1396 CA ALA A 179 4159 3435 2942 -25 710 -210 C ATOM 1397 C ALA A 179 93.879 30.104 22.379 1.00 27.18 C ANISOU 1397 C ALA A 179 3919 3462 2945 -89 628 -179 C ATOM 1398 O ALA A 179 93.159 30.539 21.486 1.00 26.76 O ANISOU 1398 O ALA A 179 3741 3459 2968 -48 617 -141 O ATOM 1399 CB ALA A 179 95.143 31.927 23.485 1.00 29.45 C ANISOU 1399 CB ALA A 179 4500 3573 3116 -12 628 -238 C ATOM 0 H ALA A 179 95.272 29.955 24.939 1.00 23.19 H new ATOM 0 HA ALA A 179 93.243 31.307 23.907 1.00 27.73 H new ATOM 0 HB1 ALA A 179 94.885 32.526 22.767 1.00 29.45 H new ATOM 0 HB2 ALA A 179 95.243 32.432 24.307 1.00 29.45 H new ATOM 0 HB3 ALA A 179 95.986 31.501 23.263 1.00 29.45 H new ATOM 1400 N GLY A 180 94.547 28.963 22.286 1.00 21.60 N ANISOU 1400 N GLY A 180 3220 2776 2211 -187 565 -195 N ATOM 1401 CA GLY A 180 94.442 28.122 21.114 1.00 22.10 C ANISOU 1401 CA GLY A 180 3145 2922 2329 -254 484 -173 C ATOM 1402 C GLY A 180 94.613 26.648 21.400 1.00 16.58 C ANISOU 1402 C GLY A 180 2444 2247 1608 -343 473 -184 C ATOM 1403 O GLY A 180 94.929 26.233 22.529 1.00 17.13 O ANISOU 1403 O GLY A 180 2628 2267 1614 -358 521 -209 O ATOM 0 H GLY A 180 95.069 28.659 22.898 1.00 21.60 H new ATOM 0 HA2 GLY A 180 93.576 28.264 20.702 1.00 22.10 H new ATOM 0 HA3 GLY A 180 95.112 28.397 20.469 1.00 22.10 H new ATOM 1404 N VAL A 181 94.375 25.847 20.369 1.00 19.84 N ANISOU 1404 N VAL A 181 2737 2731 2070 -402 407 -165 N ATOM 1405 CA VAL A 181 94.505 24.398 20.463 1.00 14.99 C ANISOU 1405 CA VAL A 181 2117 2138 1441 -490 384 -173 C ATOM 1406 C VAL A 181 95.203 23.868 19.214 1.00 14.14 C ANISOU 1406 C VAL A 181 1968 2065 1339 -549 256 -183 C ATOM 1407 O VAL A 181 95.033 24.399 18.131 1.00 17.16 O ANISOU 1407 O VAL A 181 2269 2487 1763 -531 204 -164 O ATOM 1408 CB VAL A 181 93.122 23.701 20.650 1.00 15.92 C ANISOU 1408 CB VAL A 181 2119 2311 1620 -512 463 -133 C ATOM 1409 CG1 VAL A 181 92.516 24.089 21.994 1.00 16.85 C ANISOU 1409 CG1 VAL A 181 2292 2392 1718 -458 607 -126 C ATOM 1410 CG2 VAL A 181 92.177 24.038 19.510 1.00 20.23 C ANISOU 1410 CG2 VAL A 181 2494 2934 2259 -494 435 -90 C ATOM 0 H VAL A 181 94.133 26.128 19.593 1.00 19.84 H new ATOM 0 HA VAL A 181 95.038 24.193 21.247 1.00 14.99 H new ATOM 0 HB VAL A 181 93.261 22.741 20.639 1.00 15.92 H new ATOM 0 HG11 VAL A 181 91.657 23.651 22.100 1.00 16.85 H new ATOM 0 HG12 VAL A 181 93.110 23.813 22.709 1.00 16.85 H new ATOM 0 HG13 VAL A 181 92.394 25.051 22.029 1.00 16.85 H new ATOM 0 HG21 VAL A 181 91.327 23.593 19.652 1.00 20.23 H new ATOM 0 HG22 VAL A 181 92.037 24.997 19.478 1.00 20.23 H new ATOM 0 HG23 VAL A 181 92.562 23.740 18.671 1.00 20.23 H new ATOM 1411 N ASP A 182 96.002 22.822 19.386 1.00 14.07 N ANISOU 1411 N ASP A 182 2026 2038 1283 -612 208 -214 N ATOM 1412 CA ASP A 182 96.758 22.205 18.303 1.00 17.38 C ANISOU 1412 CA ASP A 182 2424 2484 1695 -662 98 -232 C ATOM 1413 C ASP A 182 96.405 20.725 18.222 1.00 19.13 C ANISOU 1413 C ASP A 182 2618 2728 1924 -737 81 -230 C ATOM 1414 O ASP A 182 96.458 20.001 19.224 1.00 16.65 O ANISOU 1414 O ASP A 182 2378 2374 1573 -762 122 -241 O ATOM 1415 CB ASP A 182 98.269 22.397 18.526 1.00 22.88 C ANISOU 1415 CB ASP A 182 3236 3130 2327 -660 43 -276 C ATOM 1416 CG ASP A 182 99.117 21.719 17.452 1.00 30.33 C ANISOU 1416 CG ASP A 182 4160 4103 3261 -703 -58 -297 C ATOM 1417 OD1 ASP A 182 99.347 22.347 16.405 1.00 28.33 O ANISOU 1417 OD1 ASP A 182 3857 3881 3025 -691 -103 -289 O ATOM 1418 OD2 ASP A 182 99.560 20.566 17.647 1.00 27.69 O ANISOU 1418 OD2 ASP A 182 3855 3749 2917 -726 -82 -308 O ATOM 0 H ASP A 182 96.122 22.444 20.149 1.00 14.07 H new ATOM 0 HA ASP A 182 96.525 22.631 17.463 1.00 17.38 H new ATOM 0 HB2 ASP A 182 98.471 23.346 18.541 1.00 22.88 H new ATOM 0 HB3 ASP A 182 98.511 22.042 19.395 1.00 22.88 H new ATOM 1419 N VAL A 183 96.036 20.260 17.035 1.00 15.08 N ANISOU 1419 N VAL A 183 2008 2271 1450 -775 17 -216 N ATOM 1420 CA VAL A 183 95.589 18.878 16.909 1.00 19.41 C ANISOU 1420 CA VAL A 183 2530 2836 2009 -851 -3 -212 C ATOM 1421 C VAL A 183 96.255 18.236 15.698 1.00 25.52 C ANISOU 1421 C VAL A 183 3301 3630 2766 -890 -114 -236 C ATOM 1422 O VAL A 183 96.430 18.874 14.665 1.00 24.52 O ANISOU 1422 O VAL A 183 3127 3538 2651 -866 -166 -232 O ATOM 1423 CB VAL A 183 94.043 18.810 16.805 1.00 14.48 C ANISOU 1423 CB VAL A 183 1775 2263 1462 -871 47 -160 C ATOM 1424 CG1 VAL A 183 93.555 19.435 15.508 1.00 17.42 C ANISOU 1424 CG1 VAL A 183 2029 2698 1889 -852 -13 -134 C ATOM 1425 CG2 VAL A 183 93.521 17.383 16.943 1.00 15.03 C ANISOU 1425 CG2 VAL A 183 1832 2337 1542 -963 42 -152 C ATOM 0 H VAL A 183 96.036 20.715 16.305 1.00 15.08 H new ATOM 0 HA VAL A 183 95.848 18.384 17.702 1.00 19.41 H new ATOM 0 HB VAL A 183 93.687 19.323 17.547 1.00 14.48 H new ATOM 0 HG11 VAL A 183 92.587 19.380 15.466 1.00 17.42 H new ATOM 0 HG12 VAL A 183 93.828 20.365 15.474 1.00 17.42 H new ATOM 0 HG13 VAL A 183 93.938 18.959 14.755 1.00 17.42 H new ATOM 0 HG21 VAL A 183 92.554 17.384 16.873 1.00 15.03 H new ATOM 0 HG22 VAL A 183 93.896 16.832 16.238 1.00 15.03 H new ATOM 0 HG23 VAL A 183 93.782 17.025 17.806 1.00 15.03 H new ATOM 1426 N SER A 184 96.654 16.980 15.846 1.00 12.57 N ANISOU 1426 N SER A 184 1721 1960 1094 -936 -145 -258 N ATOM 1427 CA SER A 184 97.233 16.238 14.745 1.00 18.07 C ANISOU 1427 CA SER A 184 2415 2637 1815 -872 -201 -244 C ATOM 1428 C SER A 184 96.489 14.934 14.537 1.00 17.64 C ANISOU 1428 C SER A 184 2343 2582 1778 -929 -219 -230 C ATOM 1429 O SER A 184 95.557 14.867 13.741 1.00 20.84 O ANISOU 1429 O SER A 184 2664 3033 2222 -964 -248 -209 O ATOM 1430 CB SER A 184 98.711 15.961 14.999 1.00 29.68 C ANISOU 1430 CB SER A 184 3963 4039 3274 -783 -204 -256 C ATOM 1431 OG SER A 184 99.368 15.659 13.785 1.00 41.98 O ANISOU 1431 OG SER A 184 5499 5590 4861 -719 -247 -254 O ATOM 0 H SER A 184 96.596 16.540 16.582 1.00 12.57 H new ATOM 0 HA SER A 184 97.153 16.777 13.942 1.00 18.07 H new ATOM 0 HB2 SER A 184 99.125 16.734 15.415 1.00 29.68 H new ATOM 0 HB3 SER A 184 98.806 15.221 15.619 1.00 29.68 H new ATOM 0 HG SER A 184 99.187 16.248 13.214 1.00 41.98 H new ATOM 1432 N SER A 185 96.893 13.893 15.254 1.00 17.28 N ANISOU 1432 N SER A 185 2378 2481 1707 -935 -206 -239 N ATOM 1433 CA SER A 185 96.312 12.576 14.998 1.00 16.54 C ANISOU 1433 CA SER A 185 2284 2374 1625 -985 -230 -228 C ATOM 1434 C SER A 185 94.833 12.447 15.412 1.00 14.32 C ANISOU 1434 C SER A 185 1936 2136 1369 -1104 -201 -205 C ATOM 1435 O SER A 185 94.148 11.561 14.937 1.00 19.65 O ANISOU 1435 O SER A 185 2579 2813 2073 -1147 -231 -187 O ATOM 1436 CB SER A 185 97.131 11.495 15.704 1.00 26.55 C ANISOU 1436 CB SER A 185 3657 3570 2861 -961 -227 -239 C ATOM 1437 OG SER A 185 97.430 11.875 17.029 1.00 33.16 O ANISOU 1437 OG SER A 185 4561 4380 3658 -971 -175 -248 O ATOM 0 H SER A 185 97.485 13.921 15.877 1.00 17.28 H new ATOM 0 HA SER A 185 96.340 12.459 14.035 1.00 16.54 H new ATOM 0 HB2 SER A 185 96.637 10.660 15.707 1.00 26.55 H new ATOM 0 HB3 SER A 185 97.954 11.337 15.215 1.00 26.55 H new ATOM 0 HG SER A 185 97.878 11.269 17.400 1.00 33.16 H new ATOM 1438 N GLY A 186 94.342 13.327 16.280 1.00 17.49 N ANISOU 1438 N GLY A 186 2305 2567 1775 -1156 -133 -204 N ATOM 1439 CA GLY A 186 92.958 13.243 16.736 1.00 15.60 C ANISOU 1439 CA GLY A 186 1967 2364 1595 -1239 -66 -160 C ATOM 1440 C GLY A 186 91.929 13.517 15.644 1.00 24.49 C ANISOU 1440 C GLY A 186 2935 3567 2804 -1256 -108 -123 C ATOM 1441 O GLY A 186 90.729 13.271 15.805 1.00 21.41 O ANISOU 1441 O GLY A 186 2439 3214 2482 -1313 -66 -77 O ATOM 0 H GLY A 186 94.792 13.978 16.616 1.00 17.49 H new ATOM 0 HA2 GLY A 186 92.801 12.359 17.102 1.00 15.60 H new ATOM 0 HA3 GLY A 186 92.826 13.876 17.459 1.00 15.60 H new ATOM 1442 N VAL A 187 92.394 14.046 14.522 1.00 19.87 N ANISOU 1442 N VAL A 187 2336 3000 2216 -1181 -184 -135 N ATOM 1443 CA VAL A 187 91.498 14.341 13.410 1.00 18.38 C ANISOU 1443 CA VAL A 187 2020 2868 2096 -1172 -236 -100 C ATOM 1444 C VAL A 187 91.917 13.591 12.149 1.00 17.39 C ANISOU 1444 C VAL A 187 1949 2706 1953 -1128 -329 -115 C ATOM 1445 O VAL A 187 91.606 13.996 11.033 1.00 20.37 O ANISOU 1445 O VAL A 187 2267 3112 2360 -1096 -385 -103 O ATOM 1446 CB VAL A 187 91.438 15.838 13.122 1.00 15.98 C ANISOU 1446 CB VAL A 187 1635 2623 1815 -1126 -228 -89 C ATOM 1447 CG1 VAL A 187 90.839 16.559 14.301 1.00 16.62 C ANISOU 1447 CG1 VAL A 187 1670 2711 1933 -1093 -101 -60 C ATOM 1448 CG2 VAL A 187 92.834 16.397 12.802 1.00 14.85 C ANISOU 1448 CG2 VAL A 187 1601 2442 1599 -1050 -258 -132 C ATOM 0 H VAL A 187 93.220 14.242 14.382 1.00 19.87 H new ATOM 0 HA VAL A 187 90.614 14.042 13.673 1.00 18.38 H new ATOM 0 HB VAL A 187 90.877 15.980 12.343 1.00 15.98 H new ATOM 0 HG11 VAL A 187 90.802 17.510 14.114 1.00 16.62 H new ATOM 0 HG12 VAL A 187 89.942 16.227 14.462 1.00 16.62 H new ATOM 0 HG13 VAL A 187 91.386 16.405 15.087 1.00 16.62 H new ATOM 0 HG21 VAL A 187 92.769 17.348 12.623 1.00 14.85 H new ATOM 0 HG22 VAL A 187 93.423 16.250 13.559 1.00 14.85 H new ATOM 0 HG23 VAL A 187 93.193 15.946 12.022 1.00 14.85 H new ATOM 1449 N GLU A 188 92.598 12.473 12.352 1.00 20.28 N ANISOU 1449 N GLU A 188 2427 3007 2272 -1128 -337 -141 N ATOM 1450 CA GLU A 188 93.017 11.618 11.251 1.00 19.52 C ANISOU 1450 CA GLU A 188 2382 2872 2164 -1088 -403 -157 C ATOM 1451 C GLU A 188 92.217 10.331 11.229 1.00 26.02 C ANISOU 1451 C GLU A 188 3202 3676 3009 -1164 -427 -144 C ATOM 1452 O GLU A 188 92.105 9.643 12.241 1.00 26.79 O ANISOU 1452 O GLU A 188 3342 3746 3092 -1221 -389 -141 O ATOM 1453 CB GLU A 188 94.503 11.300 11.356 1.00 14.68 C ANISOU 1453 CB GLU A 188 1883 2198 1496 -1011 -394 -192 C ATOM 1454 CG GLU A 188 95.386 12.495 11.041 1.00 15.54 C ANISOU 1454 CG GLU A 188 1993 2319 1594 -928 -384 -203 C ATOM 1455 CD GLU A 188 96.849 12.295 11.404 1.00 21.32 C ANISOU 1455 CD GLU A 188 2810 2998 2294 -852 -363 -230 C ATOM 1456 OE1 GLU A 188 97.245 11.167 11.756 1.00 24.31 O ANISOU 1456 OE1 GLU A 188 3249 3329 2658 -851 -365 -243 O ATOM 1457 OE2 GLU A 188 97.614 13.286 11.334 1.00 24.74 O ANISOU 1457 OE2 GLU A 188 3243 3436 2723 -792 -348 -236 O ATOM 0 H GLU A 188 92.830 12.188 13.130 1.00 20.28 H new ATOM 0 HA GLU A 188 92.854 12.098 10.424 1.00 19.52 H new ATOM 0 HB2 GLU A 188 94.699 10.986 12.252 1.00 14.68 H new ATOM 0 HB3 GLU A 188 94.718 10.575 10.748 1.00 14.68 H new ATOM 0 HG2 GLU A 188 95.321 12.692 10.094 1.00 15.54 H new ATOM 0 HG3 GLU A 188 95.047 13.270 11.516 1.00 15.54 H new ATOM 1458 N ARG A 189 91.654 10.027 10.067 1.00 25.68 N ANISOU 1458 N ARG A 189 3116 3644 2998 -1169 -492 -138 N ATOM 1459 CA ARG A 189 91.094 8.717 9.801 1.00 28.89 C ANISOU 1459 CA ARG A 189 3541 4020 3417 -1230 -532 -136 C ATOM 1460 C ARG A 189 92.103 8.029 8.919 1.00 30.20 C ANISOU 1460 C ARG A 189 3805 4134 3534 -1166 -573 -175 C ATOM 1461 O ARG A 189 92.417 8.534 7.829 1.00 23.51 O ANISOU 1461 O ARG A 189 2948 3301 2684 -1104 -607 -189 O ATOM 1462 CB ARG A 189 89.733 8.791 9.110 1.00 31.17 C ANISOU 1462 CB ARG A 189 3710 4356 3778 -1285 -580 -105 C ATOM 1463 CG ARG A 189 89.124 7.428 8.832 1.00 37.34 C ANISOU 1463 CG ARG A 189 4512 5104 4573 -1359 -626 -103 C ATOM 1464 CD ARG A 189 87.729 7.541 8.227 1.00 46.56 C ANISOU 1464 CD ARG A 189 5548 6320 5823 -1416 -673 -70 C ATOM 1465 NE ARG A 189 86.960 8.642 8.804 1.00 49.77 N ANISOU 1465 NE ARG A 189 5816 6795 6300 -1425 -624 -30 N ATOM 1466 CZ ARG A 189 86.281 8.566 9.942 1.00 44.55 C ANISOU 1466 CZ ARG A 189 5086 6153 5688 -1491 -552 5 C ATOM 1467 NH1 ARG A 189 86.278 7.439 10.639 1.00 45.10 N ANISOU 1467 NH1 ARG A 189 5224 6173 5737 -1560 -527 5 N ATOM 1468 NH2 ARG A 189 85.611 9.621 10.387 1.00 37.84 N ANISOU 1468 NH2 ARG A 189 4101 5369 4907 -1483 -496 42 N ATOM 0 H ARG A 189 91.587 10.578 9.410 1.00 25.68 H new ATOM 0 HA ARG A 189 90.934 8.237 10.628 1.00 28.89 H new ATOM 0 HB2 ARG A 189 89.124 9.303 9.664 1.00 31.17 H new ATOM 0 HB3 ARG A 189 89.828 9.272 8.273 1.00 31.17 H new ATOM 0 HG2 ARG A 189 89.699 6.934 8.227 1.00 37.34 H new ATOM 0 HG3 ARG A 189 89.078 6.920 9.657 1.00 37.34 H new ATOM 0 HD2 ARG A 189 87.804 7.670 7.268 1.00 46.56 H new ATOM 0 HD3 ARG A 189 87.251 6.708 8.365 1.00 46.56 H new ATOM 0 HE ARG A 189 86.947 9.389 8.378 1.00 49.77 H new ATOM 0 HH11 ARG A 189 86.716 6.756 10.354 1.00 45.10 H new ATOM 0 HH12 ARG A 189 85.838 7.391 11.376 1.00 45.10 H new ATOM 0 HH21 ARG A 189 85.616 10.355 9.938 1.00 37.84 H new ATOM 0 HH22 ARG A 189 85.171 9.571 11.124 1.00 37.84 H new ATOM 1469 N ASN A 190 92.617 6.903 9.405 1.00 30.97 N ANISOU 1469 N ASN A 190 3998 4173 3596 -1178 -565 -191 N ATOM 1470 CA ASN A 190 93.675 6.154 8.732 1.00 33.43 C ANISOU 1470 CA ASN A 190 4399 4434 3868 -1111 -591 -230 C ATOM 1471 C ASN A 190 94.840 7.059 8.338 1.00 33.06 C ANISOU 1471 C ASN A 190 4360 4397 3805 -1001 -570 -253 C ATOM 1472 O ASN A 190 95.321 7.024 7.211 1.00 34.07 O ANISOU 1472 O ASN A 190 4498 4523 3923 -946 -601 -278 O ATOM 1473 CB ASN A 190 93.118 5.435 7.502 1.00 35.78 C ANISOU 1473 CB ASN A 190 4692 4727 4176 -1138 -661 -239 C ATOM 1474 CG ASN A 190 94.092 4.428 6.920 1.00 32.83 C ANISOU 1474 CG ASN A 190 4413 4299 3760 -1087 -682 -280 C ATOM 1475 OD1 ASN A 190 95.026 3.992 7.591 1.00 31.83 O ANISOU 1475 OD1 ASN A 190 4355 4134 3607 -1048 -649 -296 O ATOM 1476 ND2 ASN A 190 93.892 4.073 5.656 1.00 35.48 N ANISOU 1476 ND2 ASN A 190 4754 4638 4091 -1085 -738 -298 N ATOM 0 H ASN A 190 92.358 6.548 10.144 1.00 30.97 H new ATOM 0 HA ASN A 190 94.013 5.494 9.357 1.00 33.43 H new ATOM 0 HB2 ASN A 190 92.295 4.981 7.743 1.00 35.78 H new ATOM 0 HB3 ASN A 190 92.893 6.091 6.823 1.00 35.78 H new ATOM 0 HD21 ASN A 190 94.427 3.517 5.276 1.00 35.48 H new ATOM 0 HD22 ASN A 190 93.228 4.399 5.218 1.00 35.48 H new ATOM 1477 N GLY A 191 95.281 7.895 9.271 1.00 32.76 N ANISOU 1477 N GLY A 191 4317 4370 3762 -976 -517 -246 N ATOM 1478 CA GLY A 191 96.446 8.730 9.031 1.00 32.27 C ANISOU 1478 CA GLY A 191 4264 4311 3688 -878 -496 -265 C ATOM 1479 C GLY A 191 96.225 9.873 8.062 1.00 29.41 C ANISOU 1479 C GLY A 191 3837 3995 3341 -851 -513 -257 C ATOM 1480 O GLY A 191 97.161 10.600 7.712 1.00 31.38 O ANISOU 1480 O GLY A 191 4094 4247 3582 -778 -498 -270 O ATOM 0 H GLY A 191 94.921 7.992 10.046 1.00 32.76 H new ATOM 0 HA2 GLY A 191 96.746 9.095 9.878 1.00 32.27 H new ATOM 0 HA3 GLY A 191 97.164 8.171 8.693 1.00 32.27 H new ATOM 1481 N VAL A 192 94.986 10.040 7.622 1.00 20.33 N ANISOU 1481 N VAL A 192 2624 2881 2218 -912 -546 -233 N ATOM 1482 CA VAL A 192 94.644 11.141 6.741 1.00 25.65 C ANISOU 1482 CA VAL A 192 3236 3601 2909 -891 -569 -220 C ATOM 1483 C VAL A 192 93.711 12.117 7.443 1.00 21.89 C ANISOU 1483 C VAL A 192 2675 3177 2467 -936 -549 -183 C ATOM 1484 O VAL A 192 92.714 11.714 8.059 1.00 21.57 O ANISOU 1484 O VAL A 192 2586 3152 2458 -1012 -547 -161 O ATOM 1485 CB VAL A 192 93.985 10.638 5.439 1.00 34.39 C ANISOU 1485 CB VAL A 192 4327 4716 4025 -911 -638 -223 C ATOM 1486 CG1 VAL A 192 93.715 11.799 4.486 1.00 40.56 C ANISOU 1486 CG1 VAL A 192 5056 5541 4815 -883 -667 -210 C ATOM 1487 CG2 VAL A 192 94.872 9.592 4.778 1.00 31.65 C ANISOU 1487 CG2 VAL A 192 4063 4323 3641 -873 -654 -264 C ATOM 0 H VAL A 192 94.328 9.524 7.823 1.00 20.33 H new ATOM 0 HA VAL A 192 95.469 11.596 6.510 1.00 25.65 H new ATOM 0 HB VAL A 192 93.133 10.229 5.659 1.00 34.39 H new ATOM 0 HG11 VAL A 192 93.302 11.463 3.675 1.00 40.56 H new ATOM 0 HG12 VAL A 192 93.120 12.436 4.912 1.00 40.56 H new ATOM 0 HG13 VAL A 192 94.552 12.237 4.264 1.00 40.56 H new ATOM 0 HG21 VAL A 192 94.452 9.281 3.961 1.00 31.65 H new ATOM 0 HG22 VAL A 192 95.734 9.984 4.569 1.00 31.65 H new ATOM 0 HG23 VAL A 192 94.996 8.844 5.383 1.00 31.65 H new ATOM 1488 N LYS A 193 94.062 13.393 7.356 1.00 19.31 N ANISOU 1488 N LYS A 193 2325 2878 2136 -891 -532 -176 N ATOM 1489 CA LYS A 193 93.199 14.478 7.797 1.00 19.34 C ANISOU 1489 CA LYS A 193 2234 2939 2175 -921 -520 -143 C ATOM 1490 C LYS A 193 91.794 14.243 7.264 1.00 23.97 C ANISOU 1490 C LYS A 193 2724 3565 2819 -976 -571 -113 C ATOM 1491 O LYS A 193 91.586 14.082 6.059 1.00 32.27 O ANISOU 1491 O LYS A 193 3773 4616 3873 -961 -632 -117 O ATOM 1492 CB LYS A 193 93.747 15.822 7.325 1.00 19.35 C ANISOU 1492 CB LYS A 193 2231 2962 2161 -861 -519 -140 C ATOM 1493 CG LYS A 193 94.553 16.558 8.382 1.00 29.75 C ANISOU 1493 CG LYS A 193 3581 4271 3450 -839 -457 -150 C ATOM 1494 CD LYS A 193 95.566 15.659 9.077 1.00 34.21 C ANISOU 1494 CD LYS A 193 4241 4776 3982 -822 -421 -181 C ATOM 1495 CE LYS A 193 96.667 16.474 9.733 1.00 31.65 C ANISOU 1495 CE LYS A 193 3964 4432 3628 -774 -377 -196 C ATOM 1496 NZ LYS A 193 97.394 15.723 10.788 1.00 31.21 N ANISOU 1496 NZ LYS A 193 3979 4328 3552 -768 -341 -217 N ATOM 0 H LYS A 193 94.816 13.656 7.036 1.00 19.31 H new ATOM 0 HA LYS A 193 93.170 14.498 8.766 1.00 19.34 H new ATOM 0 HB2 LYS A 193 94.306 15.679 6.545 1.00 19.35 H new ATOM 0 HB3 LYS A 193 93.007 16.383 7.045 1.00 19.35 H new ATOM 0 HG2 LYS A 193 95.017 17.303 7.969 1.00 29.75 H new ATOM 0 HG3 LYS A 193 93.949 16.931 9.043 1.00 29.75 H new ATOM 0 HD2 LYS A 193 95.117 15.119 9.747 1.00 34.21 H new ATOM 0 HD3 LYS A 193 95.954 15.047 8.433 1.00 34.21 H new ATOM 0 HE2 LYS A 193 97.298 16.761 9.055 1.00 31.65 H new ATOM 0 HE3 LYS A 193 96.282 17.276 10.120 1.00 31.65 H new ATOM 0 HZ1 LYS A 193 98.158 16.139 10.976 1.00 31.21 H new ATOM 0 HZ2 LYS A 193 96.892 15.679 11.521 1.00 31.21 H new ATOM 0 HZ3 LYS A 193 97.569 14.900 10.499 1.00 31.21 H new ATOM 1497 N ASP A 194 90.840 14.201 8.177 1.00 26.72 N ANISOU 1497 N ASP A 194 2990 3947 3216 -1040 -541 -85 N ATOM 1498 CA ASP A 194 89.502 13.735 7.857 1.00 21.01 C ANISOU 1498 CA ASP A 194 2167 3254 2563 -1099 -580 -55 C ATOM 1499 C ASP A 194 88.446 14.790 8.179 1.00 22.10 C ANISOU 1499 C ASP A 194 2150 3467 2779 -1109 -559 -7 C ATOM 1500 O ASP A 194 88.437 15.355 9.277 1.00 20.19 O ANISOU 1500 O ASP A 194 1870 3251 2549 -1116 -479 7 O ATOM 1501 CB ASP A 194 89.229 12.433 8.609 1.00 23.60 C ANISOU 1501 CB ASP A 194 2525 3547 2894 -1173 -556 -58 C ATOM 1502 CG ASP A 194 87.769 12.016 8.553 1.00 32.01 C ANISOU 1502 CG ASP A 194 3469 4648 4047 -1246 -577 -20 C ATOM 1503 OD1 ASP A 194 87.371 11.338 7.577 1.00 33.57 O ANISOU 1503 OD1 ASP A 194 3668 4832 4255 -1265 -653 -26 O ATOM 1504 OD2 ASP A 194 87.032 12.360 9.497 1.00 32.15 O ANISOU 1504 OD2 ASP A 194 3384 4706 4123 -1285 -511 16 O ATOM 0 H ASP A 194 90.947 14.440 8.996 1.00 26.72 H new ATOM 0 HA ASP A 194 89.449 13.570 6.903 1.00 21.01 H new ATOM 0 HB2 ASP A 194 89.777 11.726 8.234 1.00 23.60 H new ATOM 0 HB3 ASP A 194 89.496 12.537 9.536 1.00 23.60 H new ATOM 1505 N ARG A 195 87.542 15.031 7.228 1.00 22.61 N ANISOU 1505 N ARG A 195 2123 3568 2900 -1105 -626 18 N ATOM 1506 CA ARG A 195 86.600 16.151 7.322 1.00 25.75 C ANISOU 1506 CA ARG A 195 2365 4041 3378 -1086 -616 66 C ATOM 1507 C ARG A 195 85.628 16.037 8.499 1.00 21.36 C ANISOU 1507 C ARG A 195 1683 3526 2907 -1136 -531 106 C ATOM 1508 O ARG A 195 85.450 16.987 9.262 1.00 21.38 O ANISOU 1508 O ARG A 195 1602 3577 2943 -1106 -453 135 O ATOM 1509 CB ARG A 195 85.803 16.290 6.011 1.00 25.57 C ANISOU 1509 CB ARG A 195 2276 4043 3396 -1072 -717 82 C ATOM 1510 CG ARG A 195 85.225 17.680 5.775 1.00 21.93 C ANISOU 1510 CG ARG A 195 1692 3649 2991 -1013 -730 126 C ATOM 1511 CD ARG A 195 83.734 17.754 6.125 1.00 26.42 C ANISOU 1511 CD ARG A 195 2072 4281 3685 -1035 -715 177 C ATOM 1512 NE ARG A 195 82.925 16.980 5.196 1.00 27.16 N ANISOU 1512 NE ARG A 195 2134 4374 3813 -1077 -807 173 N ATOM 1513 CZ ARG A 195 81.701 16.536 5.458 1.00 26.09 C ANISOU 1513 CZ ARG A 195 1862 4275 3777 -1126 -801 202 C ATOM 1514 NH1 ARG A 195 81.144 16.766 6.639 1.00 28.24 N ANISOU 1514 NH1 ARG A 195 2017 4587 4126 -1134 -693 237 N ATOM 1515 NH2 ARG A 195 81.043 15.844 4.547 1.00 27.65 N ANISOU 1515 NH2 ARG A 195 2041 4471 3995 -1170 -896 194 N ATOM 0 H ARG A 195 87.457 14.556 6.516 1.00 22.61 H new ATOM 0 HA ARG A 195 87.139 16.942 7.477 1.00 25.75 H new ATOM 0 HB2 ARG A 195 86.382 16.061 5.267 1.00 25.57 H new ATOM 0 HB3 ARG A 195 85.078 15.646 6.015 1.00 25.57 H new ATOM 0 HG2 ARG A 195 85.713 18.326 6.308 1.00 21.93 H new ATOM 0 HG3 ARG A 195 85.350 17.927 4.845 1.00 21.93 H new ATOM 0 HD2 ARG A 195 83.596 17.425 7.027 1.00 26.42 H new ATOM 0 HD3 ARG A 195 83.444 18.680 6.114 1.00 26.42 H new ATOM 0 HE ARG A 195 83.262 16.798 4.426 1.00 27.16 H new ATOM 0 HH11 ARG A 195 81.576 17.205 7.240 1.00 28.24 H new ATOM 0 HH12 ARG A 195 80.351 16.477 6.804 1.00 28.24 H new ATOM 0 HH21 ARG A 195 81.407 15.681 3.785 1.00 27.65 H new ATOM 0 HH22 ARG A 195 80.250 15.556 4.715 1.00 27.65 H new ATOM 1516 N VAL A 196 84.985 14.884 8.652 1.00 22.20 N ANISOU 1516 N VAL A 196 1772 3615 3049 -1209 -535 109 N ATOM 1517 CA VAL A 196 83.982 14.767 9.710 1.00 26.93 C ANISOU 1517 CA VAL A 196 2243 4254 3737 -1257 -443 151 C ATOM 1518 C VAL A 196 84.656 14.884 11.080 1.00 26.50 C ANISOU 1518 C VAL A 196 2250 4183 3635 -1264 -320 145 C ATOM 1519 O VAL A 196 84.118 15.527 11.981 1.00 23.74 O ANISOU 1519 O VAL A 196 1796 3884 3341 -1251 -211 182 O ATOM 1520 CB VAL A 196 83.161 13.448 9.618 1.00 52.55 C ANISOU 1520 CB VAL A 196 5462 7477 7027 -1347 -471 157 C ATOM 1521 CG1 VAL A 196 82.087 13.551 8.534 1.00 48.84 C ANISOU 1521 CG1 VAL A 196 4871 7050 6637 -1347 -564 177 C ATOM 1522 CG2 VAL A 196 84.054 12.264 9.362 1.00 51.11 C ANISOU 1522 CG2 VAL A 196 5457 7212 6749 -1383 -520 109 C ATOM 0 H VAL A 196 85.106 14.180 8.174 1.00 22.20 H new ATOM 0 HA VAL A 196 83.352 15.495 9.592 1.00 26.93 H new ATOM 0 HB VAL A 196 82.724 13.314 10.474 1.00 52.55 H new ATOM 0 HG11 VAL A 196 81.588 12.720 8.493 1.00 48.84 H new ATOM 0 HG12 VAL A 196 81.483 14.281 8.744 1.00 48.84 H new ATOM 0 HG13 VAL A 196 82.508 13.717 7.676 1.00 48.84 H new ATOM 0 HG21 VAL A 196 83.516 11.458 9.310 1.00 51.11 H new ATOM 0 HG22 VAL A 196 84.528 12.391 8.525 1.00 51.11 H new ATOM 0 HG23 VAL A 196 84.694 12.179 10.086 1.00 51.11 H new ATOM 1523 N LEU A 197 85.856 14.320 11.226 1.00 28.91 N ANISOU 1523 N LEU A 197 2728 4421 3835 -1273 -332 96 N ATOM 1524 CA LEU A 197 86.596 14.471 12.481 1.00 25.59 C ANISOU 1524 CA LEU A 197 2386 3980 3357 -1279 -228 81 C ATOM 1525 C LEU A 197 86.969 15.933 12.765 1.00 24.59 C ANISOU 1525 C LEU A 197 2223 3899 3220 -1211 -174 85 C ATOM 1526 O LEU A 197 86.778 16.425 13.881 1.00 22.53 O ANISOU 1526 O LEU A 197 1938 3650 2972 -1190 -47 101 O ATOM 1527 CB LEU A 197 87.847 13.599 12.480 1.00 23.72 C ANISOU 1527 CB LEU A 197 2339 3660 3013 -1287 -266 25 C ATOM 1528 CG LEU A 197 87.608 12.113 12.748 1.00 27.80 C ANISOU 1528 CG LEU A 197 2915 4126 3524 -1363 -275 22 C ATOM 1529 CD1 LEU A 197 88.911 11.317 12.663 1.00 29.08 C ANISOU 1529 CD1 LEU A 197 3258 4207 3582 -1343 -315 -31 C ATOM 1530 CD2 LEU A 197 86.949 11.903 14.102 1.00 31.65 C ANISOU 1530 CD2 LEU A 197 3358 4622 4046 -1427 -155 56 C ATOM 0 H LEU A 197 86.254 13.854 10.623 1.00 28.91 H new ATOM 0 HA LEU A 197 86.006 14.178 13.192 1.00 25.59 H new ATOM 0 HB2 LEU A 197 88.287 13.691 11.620 1.00 23.72 H new ATOM 0 HB3 LEU A 197 88.461 13.939 13.150 1.00 23.72 H new ATOM 0 HG LEU A 197 87.008 11.786 12.060 1.00 27.80 H new ATOM 0 HD11 LEU A 197 88.730 10.380 12.837 1.00 29.08 H new ATOM 0 HD12 LEU A 197 89.292 11.413 11.776 1.00 29.08 H new ATOM 0 HD13 LEU A 197 89.539 11.652 13.322 1.00 29.08 H new ATOM 0 HD21 LEU A 197 86.808 10.955 14.250 1.00 31.65 H new ATOM 0 HD22 LEU A 197 87.523 12.256 14.800 1.00 31.65 H new ATOM 0 HD23 LEU A 197 86.096 12.364 14.122 1.00 31.65 H new ATOM 1531 N ILE A 198 87.493 16.624 11.760 1.00 28.04 N ANISOU 1531 N ILE A 198 2681 4342 3630 -1149 -260 69 N ATOM 1532 CA ILE A 198 87.831 18.033 11.913 1.00 26.87 C ANISOU 1532 CA ILE A 198 2519 4217 3474 -1059 -218 73 C ATOM 1533 C ILE A 198 86.589 18.862 12.269 1.00 24.73 C ANISOU 1533 C ILE A 198 2089 4002 3306 -1000 -141 131 C ATOM 1534 O ILE A 198 86.629 19.693 13.185 1.00 21.81 O ANISOU 1534 O ILE A 198 1741 3612 2936 -913 -25 134 O ATOM 1535 CB ILE A 198 88.488 18.593 10.637 1.00 26.28 C ANISOU 1535 CB ILE A 198 2480 4148 3357 -1021 -333 56 C ATOM 1536 CG1 ILE A 198 89.890 18.009 10.478 1.00 22.45 C ANISOU 1536 CG1 ILE A 198 2177 3585 2766 -1022 -366 -5 C ATOM 1537 CG2 ILE A 198 88.545 20.106 10.703 1.00 27.75 C ANISOU 1537 CG2 ILE A 198 2651 4338 3556 -900 -289 73 C ATOM 1538 CD1 ILE A 198 90.495 18.207 9.090 1.00 21.48 C ANISOU 1538 CD1 ILE A 198 2121 3436 2604 -963 -457 -21 C ATOM 0 H ILE A 198 87.661 16.297 10.983 1.00 28.04 H new ATOM 0 HA ILE A 198 88.469 18.099 12.641 1.00 26.87 H new ATOM 0 HB ILE A 198 87.957 18.340 9.866 1.00 26.28 H new ATOM 0 HG12 ILE A 198 90.475 18.415 11.136 1.00 22.45 H new ATOM 0 HG13 ILE A 198 89.858 17.060 10.674 1.00 22.45 H new ATOM 0 HG21 ILE A 198 88.960 20.450 9.896 1.00 27.75 H new ATOM 0 HG22 ILE A 198 87.646 20.461 10.780 1.00 27.75 H new ATOM 0 HG23 ILE A 198 89.066 20.377 11.475 1.00 27.75 H new ATOM 0 HD11 ILE A 198 91.381 17.813 9.064 1.00 21.48 H new ATOM 0 HD12 ILE A 198 89.931 17.779 8.427 1.00 21.48 H new ATOM 0 HD13 ILE A 198 90.558 19.155 8.896 1.00 21.48 H new ATOM 1539 N GLU A 199 85.480 18.617 11.574 1.00 27.50 N ANISOU 1539 N GLU A 199 2280 4423 3746 -1045 -204 176 N ATOM 1540 CA GLU A 199 84.240 19.331 11.883 1.00 25.80 C ANISOU 1540 CA GLU A 199 1890 4269 3642 -986 -132 233 C ATOM 1541 C GLU A 199 83.774 19.031 13.303 1.00 25.68 C ANISOU 1541 C GLU A 199 1856 4247 3655 -999 31 247 C ATOM 1542 O GLU A 199 83.325 19.931 14.025 1.00 28.39 O ANISOU 1542 O GLU A 199 2148 4602 4038 -900 151 269 O ATOM 1543 CB GLU A 199 83.140 18.986 10.875 1.00 36.64 C ANISOU 1543 CB GLU A 199 3126 5687 5107 -1018 -237 268 C ATOM 1544 CG GLU A 199 83.328 19.692 9.541 1.00 39.50 C ANISOU 1544 CG GLU A 199 3496 6057 5456 -957 -370 266 C ATOM 1545 CD GLU A 199 82.092 19.665 8.661 1.00 35.42 C ANISOU 1545 CD GLU A 199 2847 5577 5036 -948 -453 297 C ATOM 1546 OE1 GLU A 199 81.278 18.725 8.797 1.00 34.36 O ANISOU 1546 OE1 GLU A 199 2654 5441 4959 -1017 -447 301 O ATOM 1547 OE2 GLU A 199 81.941 20.599 7.838 1.00 36.73 O ANISOU 1547 OE2 GLU A 199 2970 5770 5217 -873 -526 318 O ATOM 0 H GLU A 199 85.423 18.051 10.929 1.00 27.50 H new ATOM 0 HA GLU A 199 84.425 20.281 11.818 1.00 25.80 H new ATOM 0 HB2 GLU A 199 83.127 18.027 10.731 1.00 36.64 H new ATOM 0 HB3 GLU A 199 82.277 19.228 11.247 1.00 36.64 H new ATOM 0 HG2 GLU A 199 83.580 20.614 9.704 1.00 39.50 H new ATOM 0 HG3 GLU A 199 84.064 19.277 9.065 1.00 39.50 H new ATOM 1548 N ALA A 200 83.899 17.773 13.714 1.00 26.93 N ANISOU 1548 N ALA A 200 2069 4380 3785 -1117 40 233 N ATOM 1549 CA ALA A 200 83.523 17.389 15.068 1.00 28.29 C ANISOU 1549 CA ALA A 200 2245 4537 3966 -1142 196 247 C ATOM 1550 C ALA A 200 84.433 18.073 16.078 1.00 26.32 C ANISOU 1550 C ALA A 200 2158 4216 3627 -1045 304 209 C ATOM 1551 O ALA A 200 83.965 18.583 17.098 1.00 27.34 O ANISOU 1551 O ALA A 200 2262 4348 3778 -983 451 228 O ATOM 1552 CB ALA A 200 83.575 15.888 15.235 1.00 23.80 C ANISOU 1552 CB ALA A 200 1745 3924 3372 -1272 168 235 C ATOM 0 H ALA A 200 84.198 17.130 13.227 1.00 26.93 H new ATOM 0 HA ALA A 200 82.610 17.676 15.227 1.00 28.29 H new ATOM 0 HB1 ALA A 200 83.322 15.654 16.142 1.00 23.80 H new ATOM 0 HB2 ALA A 200 82.961 15.471 14.610 1.00 23.80 H new ATOM 0 HB3 ALA A 200 84.476 15.574 15.060 1.00 23.80 H new ATOM 1553 N PHE A 201 85.733 18.068 15.794 1.00 24.43 N ANISOU 1553 N PHE A 201 2083 3912 3285 -1033 229 154 N ATOM 1554 CA PHE A 201 86.698 18.786 16.615 1.00 24.54 C ANISOU 1554 CA PHE A 201 2252 3857 3214 -944 302 115 C ATOM 1555 C PHE A 201 86.328 20.265 16.669 1.00 23.23 C ANISOU 1555 C PHE A 201 2025 3712 3088 -812 359 135 C ATOM 1556 O PHE A 201 86.193 20.841 17.753 1.00 25.93 O ANISOU 1556 O PHE A 201 2406 4028 3419 -742 492 136 O ATOM 1557 CB PHE A 201 88.124 18.602 16.067 1.00 19.12 C ANISOU 1557 CB PHE A 201 1718 3115 2431 -954 192 58 C ATOM 1558 CG PHE A 201 89.200 19.239 16.911 1.00 18.03 C ANISOU 1558 CG PHE A 201 1741 2904 2206 -880 248 17 C ATOM 1559 CD1 PHE A 201 89.580 20.559 16.696 1.00 18.23 C ANISOU 1559 CD1 PHE A 201 1785 2919 2222 -777 246 10 C ATOM 1560 CD2 PHE A 201 89.864 18.512 17.882 1.00 23.54 C ANISOU 1560 CD2 PHE A 201 2578 3538 2829 -919 291 -13 C ATOM 1561 CE1 PHE A 201 90.585 21.158 17.453 1.00 22.53 C ANISOU 1561 CE1 PHE A 201 2479 3394 2688 -720 286 -28 C ATOM 1562 CE2 PHE A 201 90.871 19.098 18.649 1.00 26.38 C ANISOU 1562 CE2 PHE A 201 3085 3830 3109 -856 327 -51 C ATOM 1563 CZ PHE A 201 91.232 20.428 18.432 1.00 26.11 C ANISOU 1563 CZ PHE A 201 3063 3789 3070 -760 323 -60 C ATOM 0 H PHE A 201 86.077 17.651 15.125 1.00 24.43 H new ATOM 0 HA PHE A 201 86.676 18.423 17.514 1.00 24.54 H new ATOM 0 HB2 PHE A 201 88.309 17.653 15.988 1.00 19.12 H new ATOM 0 HB3 PHE A 201 88.166 18.975 15.172 1.00 19.12 H new ATOM 0 HD1 PHE A 201 89.154 21.053 16.033 1.00 18.23 H new ATOM 0 HD2 PHE A 201 89.636 17.622 18.025 1.00 23.54 H new ATOM 0 HE1 PHE A 201 90.819 22.045 17.300 1.00 22.53 H new ATOM 0 HE2 PHE A 201 91.303 18.601 19.306 1.00 26.38 H new ATOM 0 HZ PHE A 201 91.903 20.820 18.942 1.00 26.11 H new ATOM 1564 N MET A 202 86.146 20.871 15.499 1.00 28.57 N ANISOU 1564 N MET A 202 1888 2800 6169 -121 664 1272 N ATOM 1565 CA MET A 202 85.791 22.281 15.418 1.00 29.21 C ANISOU 1565 CA MET A 202 1928 2809 6363 -95 686 1291 C ATOM 1566 C MET A 202 84.492 22.593 16.152 1.00 35.50 C ANISOU 1566 C MET A 202 2676 3603 7210 -101 716 1250 C ATOM 1567 O MET A 202 84.408 23.598 16.853 1.00 37.79 O ANISOU 1567 O MET A 202 2937 3840 7583 -97 756 1206 O ATOM 1568 CB MET A 202 85.674 22.718 13.961 1.00 29.45 C ANISOU 1568 CB MET A 202 1937 2819 6432 -67 652 1391 C ATOM 1569 CG MET A 202 87.000 22.739 13.220 1.00 29.11 C ANISOU 1569 CG MET A 202 1926 2782 6353 -67 630 1425 C ATOM 1570 SD MET A 202 88.283 23.695 14.049 1.00 30.06 S ANISOU 1570 SD MET A 202 2063 2844 6514 -69 667 1373 S ATOM 1571 CE MET A 202 87.675 25.356 13.798 1.00 49.98 C ANISOU 1571 CE MET A 202 4525 5267 9198 -37 686 1422 C ATOM 0 H MET A 202 86.224 20.479 14.737 1.00 28.57 H new ATOM 0 HA MET A 202 86.503 22.777 15.852 1.00 29.21 H new ATOM 0 HB2 MET A 202 85.065 22.120 13.500 1.00 29.45 H new ATOM 0 HB3 MET A 202 85.280 23.604 13.928 1.00 29.45 H new ATOM 0 HG2 MET A 202 87.311 21.827 13.105 1.00 29.11 H new ATOM 0 HG3 MET A 202 86.859 23.104 12.333 1.00 29.11 H new ATOM 0 HE1 MET A 202 88.344 25.994 14.091 1.00 49.98 H new ATOM 0 HE2 MET A 202 87.489 25.494 12.856 1.00 49.98 H new ATOM 0 HE3 MET A 202 86.861 25.484 14.310 1.00 49.98 H new ATOM 1572 N ALA A 203 83.498 21.715 16.004 1.00 31.87 N ANISOU 1572 N ALA A 203 2202 3210 6699 -115 699 1254 N ATOM 1573 CA ALA A 203 82.185 21.886 16.640 1.00 30.39 C ANISOU 1573 CA ALA A 203 1958 3048 6542 -127 725 1210 C ATOM 1574 C ALA A 203 82.316 22.088 18.147 1.00 30.58 C ANISOU 1574 C ALA A 203 1973 3086 6559 -159 771 1107 C ATOM 1575 O ALA A 203 81.511 22.777 18.765 1.00 31.82 O ANISOU 1575 O ALA A 203 2071 3240 6779 -162 806 1055 O ATOM 1576 CB ALA A 203 81.302 20.693 16.348 1.00 30.27 C ANISOU 1576 CB ALA A 203 1935 3123 6441 -152 699 1218 C ATOM 0 H ALA A 203 83.565 21.000 15.530 1.00 31.87 H new ATOM 0 HA ALA A 203 81.777 22.683 16.267 1.00 30.39 H new ATOM 0 HB1 ALA A 203 80.439 20.817 16.773 1.00 30.27 H new ATOM 0 HB2 ALA A 203 81.181 20.607 15.389 1.00 30.27 H new ATOM 0 HB3 ALA A 203 81.719 19.889 16.694 1.00 30.27 H new ATOM 1577 N VAL A 204 83.344 21.494 18.738 1.00 30.01 N ANISOU 1577 N VAL A 204 1953 3040 6411 -186 771 1075 N ATOM 1578 CA VAL A 204 83.551 21.648 20.168 1.00 33.92 C ANISOU 1578 CA VAL A 204 2437 3568 6883 -228 813 982 C ATOM 1579 C VAL A 204 84.228 22.986 20.444 1.00 31.97 C ANISOU 1579 C VAL A 204 2179 3238 6728 -212 849 954 C ATOM 1580 O VAL A 204 83.789 23.751 21.311 1.00 32.22 O ANISOU 1580 O VAL A 204 2161 3268 6813 -228 894 878 O ATOM 1581 CB VAL A 204 84.373 20.496 20.736 1.00 29.63 C ANISOU 1581 CB VAL A 204 1944 3091 6223 -269 797 966 C ATOM 1582 CG1 VAL A 204 84.444 20.602 22.242 1.00 30.01 C ANISOU 1582 CG1 VAL A 204 1969 3203 6231 -326 837 876 C ATOM 1583 CG2 VAL A 204 83.750 19.172 20.340 1.00 29.34 C ANISOU 1583 CG2 VAL A 204 1918 3119 6112 -284 760 1000 C ATOM 0 H VAL A 204 83.925 21.004 18.335 1.00 30.01 H new ATOM 0 HA VAL A 204 82.688 21.631 20.610 1.00 33.92 H new ATOM 0 HB VAL A 204 85.272 20.544 20.375 1.00 29.63 H new ATOM 0 HG11 VAL A 204 84.968 19.866 22.594 1.00 30.01 H new ATOM 0 HG12 VAL A 204 84.861 21.442 22.488 1.00 30.01 H new ATOM 0 HG13 VAL A 204 83.548 20.566 22.612 1.00 30.01 H new ATOM 0 HG21 VAL A 204 84.278 18.444 20.704 1.00 29.34 H new ATOM 0 HG22 VAL A 204 82.846 19.122 20.689 1.00 29.34 H new ATOM 0 HG23 VAL A 204 83.727 19.101 19.373 1.00 29.34 H new ATOM 1584 N VAL A 205 85.286 23.276 19.694 1.00 30.20 N ANISOU 1584 N VAL A 205 1996 2952 6524 -183 830 1008 N ATOM 1585 CA VAL A 205 85.884 24.599 19.741 1.00 31.45 C ANISOU 1585 CA VAL A 205 2143 3023 6784 -165 861 995 C ATOM 1586 C VAL A 205 84.846 25.693 19.504 1.00 31.47 C ANISOU 1586 C VAL A 205 2079 2952 6926 -135 883 1001 C ATOM 1587 O VAL A 205 84.624 26.520 20.384 1.00 45.84 O ANISOU 1587 O VAL A 205 3856 4745 8817 -148 933 920 O ATOM 1588 CB VAL A 205 86.999 24.763 18.709 1.00 30.41 C ANISOU 1588 CB VAL A 205 2052 2847 6656 -137 831 1070 C ATOM 1589 CG1 VAL A 205 87.532 26.188 18.769 1.00 30.73 C ANISOU 1589 CG1 VAL A 205 2072 2796 6809 -125 866 1057 C ATOM 1590 CG2 VAL A 205 88.110 23.765 18.967 1.00 29.43 C ANISOU 1590 CG2 VAL A 205 1984 2790 6408 -165 813 1055 C ATOM 0 H VAL A 205 85.668 22.724 19.156 1.00 30.20 H new ATOM 0 HA VAL A 205 86.258 24.689 20.632 1.00 31.45 H new ATOM 0 HB VAL A 205 86.645 24.593 17.822 1.00 30.41 H new ATOM 0 HG11 VAL A 205 88.240 26.297 18.115 1.00 30.73 H new ATOM 0 HG12 VAL A 205 86.814 26.811 18.574 1.00 30.73 H new ATOM 0 HG13 VAL A 205 87.881 26.366 19.656 1.00 30.73 H new ATOM 0 HG21 VAL A 205 88.810 23.881 18.305 1.00 29.43 H new ATOM 0 HG22 VAL A 205 88.477 23.911 19.853 1.00 29.43 H new ATOM 0 HG23 VAL A 205 87.756 22.864 18.908 1.00 29.43 H new ATOM 1591 N ARG A 206 84.218 25.694 18.326 1.00 41.32 N ANISOU 1591 N ARG A 206 3311 4173 8214 -96 847 1094 N ATOM 1592 CA ARG A 206 83.247 26.741 17.950 1.00 51.97 C ANISOU 1592 CA ARG A 206 4582 5430 9736 -56 864 1133 C ATOM 1593 C ARG A 206 82.112 26.939 18.951 1.00 52.98 C ANISOU 1593 C ARG A 206 4638 5580 9912 -72 907 1040 C ATOM 1594 O ARG A 206 80.950 26.634 18.664 1.00 56.72 O ANISOU 1594 O ARG A 206 5066 6095 10392 -62 894 1061 O ATOM 1595 CB ARG A 206 82.627 26.456 16.577 1.00 61.09 C ANISOU 1595 CB ARG A 206 5720 6580 10910 -23 814 1260 C ATOM 1596 CG ARG A 206 83.605 26.075 15.486 1.00 66.95 C ANISOU 1596 CG ARG A 206 6522 7342 11573 -16 763 1343 C ATOM 1597 CD ARG A 206 83.034 26.377 14.111 1.00 71.22 C ANISOU 1597 CD ARG A 206 7013 7841 12208 24 726 1489 C ATOM 1598 NE ARG A 206 83.966 26.027 13.042 1.00 69.14 N ANISOU 1598 NE ARG A 206 6794 7620 11857 22 678 1558 N ATOM 1599 CZ ARG A 206 84.196 26.780 11.972 1.00 74.13 C ANISOU 1599 CZ ARG A 206 7382 8189 12595 54 654 1689 C ATOM 1600 NH1 ARG A 206 83.560 27.933 11.819 1.00 77.82 N ANISOU 1600 NH1 ARG A 206 7760 8525 13283 97 670 1780 N ATOM 1601 NH2 ARG A 206 85.056 26.376 11.050 1.00 77.15 N ANISOU 1601 NH2 ARG A 206 7803 8642 12869 38 611 1730 N ATOM 0 H ARG A 206 84.338 25.094 17.722 1.00 41.32 H new ATOM 0 HA ARG A 206 83.770 27.558 17.934 1.00 51.97 H new ATOM 0 HB2 ARG A 206 81.980 25.740 16.674 1.00 61.09 H new ATOM 0 HB3 ARG A 206 82.138 27.243 16.291 1.00 61.09 H new ATOM 0 HG2 ARG A 206 84.436 26.560 15.608 1.00 66.95 H new ATOM 0 HG3 ARG A 206 83.816 25.130 15.552 1.00 66.95 H new ATOM 0 HD2 ARG A 206 82.206 25.886 13.991 1.00 71.22 H new ATOM 0 HD3 ARG A 206 82.816 27.320 14.053 1.00 71.22 H new ATOM 0 HE ARG A 206 84.394 25.284 13.110 1.00 69.14 H new ATOM 0 HH11 ARG A 206 82.997 28.195 12.413 1.00 77.82 H new ATOM 0 HH12 ARG A 206 83.711 28.419 11.125 1.00 77.82 H new ATOM 0 HH21 ARG A 206 85.466 25.626 11.144 1.00 77.15 H new ATOM 0 HH22 ARG A 206 85.205 26.864 10.357 1.00 77.15 H new ATOM 1602 N ASN A 207 82.463 27.452 20.123 1.00 51.91 N ANISOU 1602 N ASN A 207 4487 5435 9801 -99 960 931 N ATOM 1603 CA ASN A 207 81.486 27.898 21.103 1.00 54.54 C ANISOU 1603 CA ASN A 207 4734 5782 10209 -111 1011 827 C ATOM 1604 C ASN A 207 82.061 29.088 21.867 1.00 55.03 C ANISOU 1604 C ASN A 207 4757 5732 10419 -112 1078 748 C ATOM 1605 O ASN A 207 81.464 29.574 22.828 1.00 58.91 O ANISOU 1605 O ASN A 207 5173 6233 10976 -127 1131 632 O ATOM 1606 CB ASN A 207 81.103 26.768 22.062 1.00 52.69 C ANISOU 1606 CB ASN A 207 4517 5748 9753 -177 1002 735 C ATOM 1607 CG ASN A 207 80.471 25.589 21.350 1.00 54.05 C ANISOU 1607 CG ASN A 207 4710 6000 9828 -176 951 808 C ATOM 1608 OD1 ASN A 207 79.321 25.655 20.910 1.00 52.87 O ANISOU 1608 OD1 ASN A 207 4502 5867 9719 -152 941 827 O ATOM 1609 ND2 ASN A 207 81.219 24.498 21.239 1.00 53.37 N ANISOU 1609 ND2 ASN A 207 4700 5962 9616 -203 920 844 N ATOM 0 H ASN A 207 83.280 27.551 20.373 1.00 51.91 H new ATOM 0 HA ASN A 207 80.675 28.167 20.643 1.00 54.54 H new ATOM 0 HB2 ASN A 207 81.894 26.469 22.536 1.00 52.69 H new ATOM 0 HB3 ASN A 207 80.485 27.109 22.728 1.00 52.69 H new ATOM 0 HD21 ASN A 207 80.905 23.800 20.847 1.00 53.37 H new ATOM 0 HD22 ASN A 207 82.017 24.490 21.559 1.00 53.37 H new ATOM 1610 N GLY A 208 83.232 29.545 21.430 1.00 52.01 N ANISOU 1610 N GLY A 208 4423 5255 10085 -98 1076 800 N ATOM 1611 CA GLY A 208 83.901 30.669 22.056 1.00 54.13 C ANISOU 1611 CA GLY A 208 4660 5410 10497 -103 1141 727 C ATOM 1612 C GLY A 208 85.354 30.393 22.389 1.00 54.45 C ANISOU 1612 C GLY A 208 4787 5517 10384 -148 1134 701 C ATOM 1613 O GLY A 208 85.987 31.188 23.086 1.00 54.79 O ANISOU 1613 O GLY A 208 4812 5507 10500 -171 1189 619 O ATOM 0 H GLY A 208 83.657 29.209 20.762 1.00 52.01 H new ATOM 0 HA2 GLY A 208 83.851 31.437 21.465 1.00 54.13 H new ATOM 0 HA3 GLY A 208 83.429 30.906 22.869 1.00 54.13 H new TER 1614 GLY A 208 HETATM 1615 NA NA A 301 81.913 21.960 4.643 1.00 43.22 NA HETATM 1616 NA NA A 302 88.726 16.624 -0.027 0.23 59.14 NA HETATM 1617 O HOH A 401 111.723 14.312 32.888 1.00 57.48 O HETATM 1618 O HOH A 402 104.594 15.235 39.365 1.00 46.78 O HETATM 1619 O HOH A 403 101.558 20.110 -5.849 1.00 30.02 O HETATM 1620 O HOH A 404 103.804 32.755 15.297 1.00 18.39 O HETATM 1621 O HOH A 405 92.764 34.542 20.350 1.00 41.34 O HETATM 1622 O HOH A 406 120.209 26.747 1.603 1.00 28.15 O HETATM 1623 O HOH A 407 96.108 13.455 1.159 1.00 39.18 O HETATM 1624 O HOH A 408 105.187 28.728 -8.395 1.00 34.47 O HETATM 1625 O HOH A 409 100.683 31.395 22.281 1.00 27.51 O HETATM 1626 O HOH A 410 91.906 27.122 33.301 1.00 29.34 O HETATM 1627 O HOH A 411 80.894 16.768 9.996 1.00 30.20 O HETATM 1628 O HOH A 412 102.812 27.590 39.664 1.00 50.35 O HETATM 1629 O HOH A 413 90.860 16.145 27.927 1.00 20.97 O HETATM 1630 O HOH A 414 105.300 32.590 40.788 1.00 45.53 O HETATM 1631 O HOH A 415 116.887 40.730 8.859 1.00 34.31 O HETATM 1632 O HOH A 416 100.504 9.865 16.087 1.00 54.18 O HETATM 1633 O HOH A 417 84.291 21.538 4.484 1.00 36.69 O HETATM 1634 O HOH A 418 113.502 23.093 16.772 1.00 45.02 O HETATM 1635 O HOH A 419 102.994 31.037 -1.560 1.00 37.61 O HETATM 1636 O HOH A 420 87.444 28.033 11.916 1.00 36.12 O HETATM 1637 O HOH A 421 125.924 30.763 12.616 1.00 36.14 O HETATM 1638 O HOH A 422 120.494 37.897 26.402 1.00 45.90 O HETATM 1639 O HOH A 423 107.952 26.917 -0.664 1.00 17.51 O HETATM 1640 O HOH A 424 88.696 19.963 0.000 0.50 24.03 O HETATM 1641 O HOH A 425 103.680 16.837 8.133 1.00 16.85 O HETATM 1642 O HOH A 426 89.925 11.101 23.257 1.00 30.85 O HETATM 1643 O HOH A 427 122.608 29.199 5.968 1.00 23.04 O HETATM 1644 O HOH A 428 92.484 26.909 0.865 1.00 40.68 O HETATM 1645 O HOH A 429 104.143 9.868 3.719 1.00 30.23 O HETATM 1646 O HOH A 430 107.642 34.079 32.461 1.00 30.11 O HETATM 1647 O HOH A 431 119.257 41.023 16.209 1.00 34.86 O HETATM 1648 O HOH A 432 84.037 9.456 12.319 1.00 31.50 O HETATM 1649 O HOH A 433 123.954 30.792 16.428 1.00 44.97 O HETATM 1650 O HOH A 434 110.435 38.749 18.808 1.00 32.36 O HETATM 1651 O HOH A 435 112.063 15.868 6.453 1.00 22.99 O HETATM 1652 O HOH A 436 97.444 13.841 36.718 1.00 25.34 O HETATM 1653 O HOH A 437 115.440 16.051 14.321 1.00 43.72 O HETATM 1654 O HOH A 438 85.935 17.886 2.160 1.00 23.91 O HETATM 1655 O HOH A 439 115.113 23.773 40.264 1.00 37.23 O HETATM 1656 O HOH A 440 112.482 14.150 16.844 1.00 41.83 O HETATM 1657 O HOH A 441 109.174 41.456 19.539 1.00 32.76 O HETATM 1658 O HOH A 442 121.509 37.593 14.326 1.00 31.49 O HETATM 1659 O HOH A 443 90.744 25.274 1.199 1.00 25.74 O HETATM 1660 O HOH A 444 105.274 29.363 6.495 1.00 15.16 O HETATM 1661 O HOH A 445 86.401 27.197 31.973 1.00 38.74 O HETATM 1662 O HOH A 446 93.234 30.759 30.730 1.00 33.56 O HETATM 1663 O HOH A 447 99.220 12.998 13.381 1.00 44.96 O HETATM 1664 O HOH A 448 91.397 12.174 26.839 1.00 37.67 O HETATM 1665 O HOH A 449 89.734 11.064 16.823 1.00 33.85 O HETATM 1666 O HOH A 450 95.423 14.852 18.320 1.00 28.63 O HETATM 1667 O HOH A 451 85.375 12.606 6.427 1.00 26.94 O HETATM 1668 O HOH A 452 90.227 30.957 16.269 1.00 39.38 O HETATM 1669 O HOH A 453 111.839 31.626 4.529 1.00 45.93 O HETATM 1670 O HOH A 454 104.248 14.678 14.594 1.00 23.82 O HETATM 1671 O HOH A 455 100.169 34.350 12.209 1.00 47.16 O HETATM 1672 O HOH A 456 96.392 31.091 27.403 1.00 30.60 O HETATM 1673 O HOH A 457 85.872 16.779 26.515 1.00 33.00 O HETATM 1674 O HOH A 458 103.720 16.060 30.102 1.00 29.63 O HETATM 1675 O HOH A 459 106.597 35.843 9.675 1.00 34.15 O HETATM 1676 O HOH A 460 116.052 27.921 -1.465 1.00 19.85 O HETATM 1677 O HOH A 461 90.884 8.122 5.661 1.00 35.76 O HETATM 1678 O HOH A 462 101.298 24.427 44.962 1.00 46.53 O HETATM 1679 O HOH A 463 113.166 11.088 11.164 1.00 27.86 O HETATM 1680 O HOH A 464 102.826 37.342 31.350 1.00 34.38 O HETATM 1681 O HOH A 465 102.987 29.953 2.997 1.00 22.64 O HETATM 1682 O HOH A 466 92.469 36.425 21.257 1.00 43.38 O HETATM 1683 O HOH A 467 120.028 22.536 20.770 1.00 34.06 O HETATM 1684 O HOH A 468 83.074 15.506 19.597 1.00 29.12 O HETATM 1685 O HOH A 469 102.974 24.742 -4.461 1.00 29.68 O HETATM 1686 O HOH A 470 90.155 12.570 4.293 1.00 29.50 O HETATM 1687 O HOH A 471 110.305 37.356 13.455 1.00 24.40 O HETATM 1688 O HOH A 472 120.432 32.877 4.596 1.00 33.79 O HETATM 1689 O HOH A 473 102.100 20.530 16.620 1.00 22.70 O HETATM 1690 O HOH A 474 99.670 31.700 36.812 1.00 28.93 O HETATM 1691 O HOH A 475 99.703 13.676 24.314 1.00 34.43 O HETATM 1692 O HOH A 476 90.932 18.518 0.131 1.00 32.18 O HETATM 1693 O HOH A 477 81.540 17.746 18.138 1.00 22.96 O HETATM 1694 O HOH A 478 103.238 13.003 1.437 1.00 20.41 O HETATM 1695 O HOH A 479 121.594 31.211 2.477 1.00 40.20 O HETATM 1696 O HOH A 480 106.732 10.298 7.208 1.00 26.02 O HETATM 1697 O HOH A 481 87.490 14.148 4.563 1.00 23.41 O HETATM 1698 O HOH A 482 117.878 21.165 7.376 1.00 22.53 O HETATM 1699 O HOH A 483 92.693 15.005 3.641 1.00 27.25 O HETATM 1700 O HOH A 484 84.854 17.652 23.517 1.00 25.60 O HETATM 1701 O HOH A 485 86.405 20.940 31.260 1.00 38.40 O HETATM 1702 O HOH A 486 85.672 29.491 25.332 1.00 42.55 O HETATM 1703 O HOH A 487 82.972 14.003 25.141 1.00 37.45 O HETATM 1704 O HOH A 488 97.458 15.453 18.105 1.00 32.92 O HETATM 1705 O HOH A 489 96.695 17.352 20.238 1.00 16.24 O HETATM 1706 O HOH A 490 107.641 34.561 25.498 1.00 46.09 O HETATM 1707 O HOH A 491 120.497 36.241 18.685 1.00 23.27 O HETATM 1708 O HOH A 492 99.230 17.991 18.889 1.00 31.55 O HETATM 1709 O HOH A 493 84.647 27.740 8.543 1.00 49.01 O HETATM 1710 O HOH A 494 88.410 25.829 34.801 1.00 39.13 O HETATM 1711 O HOH A 495 108.022 24.753 -4.625 1.00 34.51 O HETATM 1712 O HOH A 496 95.770 9.371 13.467 1.00 48.77 O HETATM 1713 O HOH A 497 116.022 26.562 32.095 1.00 43.74 O HETATM 1714 O HOH A 498 93.638 24.489 -4.807 1.00 35.29 O HETATM 1715 O HOH A 499 107.263 24.571 -6.547 1.00 36.76 O HETATM 1716 O HOH A 500 94.668 7.619 12.101 1.00 35.46 O HETATM 1717 O HOH A 501 115.180 35.380 24.162 1.00 35.86 O HETATM 1718 O HOH A 502 89.117 10.446 5.411 1.00 24.90 O HETATM 1719 O HOH A 503 107.297 36.509 5.877 1.00 40.43 O HETATM 1720 O HOH A 504 114.382 16.281 3.228 1.00 20.74 O HETATM 1721 O HOH A 505 104.358 7.545 7.962 1.00 46.90 O HETATM 1722 O HOH A 506 81.808 22.069 12.636 1.00 27.15 O HETATM 1723 O HOH A 507 119.692 38.120 6.933 1.00 24.07 O HETATM 1724 O HOH A 508 107.978 36.325 23.979 1.00 30.14 O HETATM 1725 O HOH A 509 89.891 32.609 14.279 1.00 41.41 O HETATM 1726 O HOH A 510 117.003 39.459 22.271 1.00 41.83 O HETATM 1727 O HOH A 511 116.895 16.920 5.207 1.00 45.77 O HETATM 1728 O HOH A 512 103.197 37.506 20.801 1.00 34.96 O HETATM 1729 O HOH A 513 107.687 29.454 -5.160 1.00 40.97 O HETATM 1730 O HOH A 514 122.335 31.823 18.805 1.00 28.51 O HETATM 1731 O HOH A 515 101.218 31.807 2.128 1.00 42.18 O HETATM 1732 O HOH A 516 105.735 17.306 17.137 1.00 40.25 O HETATM 1733 O HOH A 517 92.942 8.818 15.621 1.00 39.21 O HETATM 1734 O HOH A 518 89.797 9.994 19.139 1.00 47.46 O HETATM 1735 O HOH A 519 89.699 30.016 26.503 1.00 27.71 O HETATM 1736 O HOH A 520 119.398 40.138 8.805 1.00 36.98 O HETATM 1737 O HOH A 521 105.662 35.121 24.398 1.00 37.97 O HETATM 1738 O HOH A 522 107.739 37.172 14.790 1.00 32.65 O HETATM 1739 O HOH A 523 99.691 32.209 13.276 1.00 30.64 O HETATM 1740 O HOH A 524 110.274 9.903 11.205 1.00 27.05 O HETATM 1741 O HOH A 525 85.968 28.242 14.114 1.00 50.26 O HETATM 1742 O HOH A 526 122.539 26.466 17.724 1.00 14.65 O HETATM 1743 O HOH A 527 120.925 25.449 20.205 1.00 47.80 O HETATM 1744 O HOH A 528 108.611 35.269 16.861 1.00 32.09 O HETATM 1745 O HOH A 529 84.461 10.037 6.985 1.00 58.76 O HETATM 1746 O HOH A 530 89.359 9.323 20.818 1.00 36.96 O HETATM 1747 O HOH A 531 102.934 30.446 5.814 1.00 25.95 O HETATM 1748 O HOH A 532 83.353 18.501 27.274 1.00 40.66 O HETATM 1749 O HOH A 533 87.741 29.439 8.161 1.00 60.31 O HETATM 1750 O HOH A 534 108.258 37.240 19.046 1.00 38.99 O HETATM 1751 O HOH A 535 111.354 14.006 30.702 1.00 53.92 O HETATM 1752 O HOH A 536 115.969 42.229 10.839 1.00 35.50 O HETATM 1753 O HOH A 537 94.700 25.542 -6.175 1.00 56.93 O HETATM 1754 O HOH A 538 105.138 9.965 15.618 1.00 31.15 O HETATM 1755 O HOH A 539 113.590 38.100 28.778 1.00 41.57 O HETATM 1756 O HOH A 540 103.675 9.361 29.256 1.00 43.44 O HETATM 1757 O HOH A 541 119.271 18.934 8.158 1.00 28.63 O HETATM 1758 O HOH A 542 82.113 14.761 22.170 1.00 44.83 O HETATM 1759 O HOH A 543 92.311 10.146 23.626 1.00 47.53 O HETATM 1760 O HOH A 544 90.528 16.090 1.694 1.00 29.38 O HETATM 1761 O HOH A 545 103.151 11.359 14.787 1.00 46.12 O HETATM 1762 O HOH A 546 102.637 27.758 -8.948 1.00 35.85 O HETATM 1763 O HOH A 547 86.085 30.307 13.362 1.00 43.68 O HETATM 1764 O HOH A 548 100.991 11.636 14.055 1.00 31.05 O HETATM 1765 O HOH A 549 123.189 26.513 6.598 1.00 42.49 O HETATM 1766 O HOH A 550 93.061 6.186 13.831 1.00 42.58 O HETATM 1767 O HOH A 551 91.592 33.002 29.959 1.00 47.00 O HETATM 1768 O HOH A 552 122.976 29.957 20.557 1.00 42.97 O HETATM 1769 O HOH A 553 111.285 42.854 18.826 1.00 29.76 O HETATM 1770 O HOH A 554 105.260 15.640 47.998 1.00 35.72 O HETATM 1771 O HOH A 555 102.849 12.999 36.878 1.00 45.60 O HETATM 1772 O HOH A 556 90.731 13.868 -0.425 1.00 24.64 O HETATM 1773 O HOH A 557 125.344 27.988 13.880 1.00 28.09 O HETATM 1774 O HOH A 558 106.817 29.727 -0.889 1.00 22.15 O HETATM 1775 O HOH A 559 83.285 19.440 29.935 1.00 36.67 O HETATM 1776 O HOH A 560 92.119 7.213 3.600 1.00 41.99 O HETATM 1777 O HOH A 561 82.050 27.281 28.747 1.00 25.24 O HETATM 1778 O HOH A 562 99.281 22.436 -7.270 1.00 40.92 O HETATM 1779 O HOH A 563 124.462 28.414 16.715 1.00 32.83 O HETATM 1780 O HOH A 564 101.726 13.064 38.870 1.00 49.01 O HETATM 1781 O HOH A 565 125.911 23.935 15.528 1.00 31.65 O HETATM 1782 O HOH A 566 124.200 29.474 22.097 1.00 61.92 O HETATM 1783 O HOH A 567 79.878 18.884 20.079 1.00 34.03 O HETATM 1784 O HOH A 568 84.617 12.477 16.352 1.00 32.89 O HETATM 1785 O HOH A 569 123.546 29.387 17.924 1.00 47.34 O HETATM 1786 O HOH A 570 103.329 14.970 49.116 1.00 43.13 O HETATM 1787 O HOH A 571 92.642 9.562 18.769 1.00 53.71 O HETATM 1788 O HOH A 572 86.416 20.608 33.591 1.00 38.34 O HETATM 1789 O HOH A 573 82.777 13.620 17.934 1.00 28.80 O HETATM 1790 O HOH A 574 87.766 30.000 27.449 1.00 44.06 O HETATM 1791 O HOH A 575 82.816 11.386 14.242 1.00 27.84 O HETATM 1792 O HOH A 576 82.203 17.793 24.353 1.00 32.89 O HETATM 1793 O HOH A 577 120.917 15.016 9.875 1.00 60.33 O HETATM 1794 O HOH A 578 83.523 20.035 32.179 1.00 37.23 O HETATM 1795 O HOH A 579 114.729 39.016 30.702 1.00 46.58 O HETATM 1796 O HOH A 580 124.861 24.308 18.100 1.00 32.40 O HETATM 1797 O HOH A 581 107.302 13.971 47.956 1.00 35.93 O HETATM 1798 O HOH A 582 92.121 9.551 1.777 1.00 45.72 O CONECT 1615 1633 CONECT 1616 1692 1760 CONECT 1633 1615 CONECT 1692 1616 CONECT 1760 1616 END