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*** HYDROLASE 16-NOV-18 6N3S ***elNémo ID: 22032617500164192Job options:ID = 22032617500164192 JOBID = HYDROLASE 16-NOV-18 6N3S USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -10 DQMAX = 10 DQSTEP = 2 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER HYDROLASE 16-NOV-18 6N3S TITLE CRYSTAL STRUCTURE OF APO-CRUZAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: CRUZIPAIN; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: CRUZAINE,MAJOR CYSTEINE PROTEINASE; COMPND 5 EC: 3.4.22.51; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; SOURCE 3 ORGANISM_TAXID: 5693; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: ARCTIC EXPRESS; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET21A KEYWDS APO CRUZAIN, HYDROLASE, PROTEASE, THIOL PROTEASE EXPDTA X-RAY DIFFRACTION AUTHOR E.B.SILVA,E.DALL,F.T.G.RODRIGUES,R.S.FERREIRA,H.BRANDSTETTER REVDAT 3 08-JAN-20 6N3S 1 REMARK REVDAT 2 03-JUL-19 6N3S 1 JRNL LINK REVDAT 1 29-MAY-19 6N3S 0 JRNL AUTH E.BARBOSA DA SILVA,E.DALL,P.BRIZA,H.BRANDSTETTER, JRNL AUTH 2 R.S.FERREIRA JRNL TITL CRUZAIN STRUCTURES: APOCRUZAIN AND CRUZAIN BOUND TO S-METHYL JRNL TITL 2 THIOMETHANESULFONATE AND IMPLICATIONS FOR DRUG DESIGN. JRNL REF ACTA CRYSTALLOGR.,SECT.F V. 75 419 2019 JRNL REFN ESSN 2053-230X JRNL PMID 31204688 JRNL DOI 10.1107/S2053230X19006320 REMARK 2 REMARK 2 RESOLUTION. 1.19 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.11.1_2575: ???) 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) : 1.19 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.92 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.380 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 3 NUMBER OF REFLECTIONS : 115506 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.139 REMARK 3 R VALUE (WORKING SET) : 0.138 REMARK 3 FREE R VALUE : 0.165 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.200 REMARK 3 FREE R VALUE TEST SET COUNT : 6001 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 34.9353 - 3.7055 0.99 3805 196 0.1459 0.1697 REMARK 3 2 3.7055 - 2.9416 1.00 3764 194 0.1322 0.1395 REMARK 3 3 2.9416 - 2.5699 0.98 3739 156 0.1255 0.1549 REMARK 3 4 2.5699 - 2.3350 0.97 3631 198 0.1172 0.1318 REMARK 3 5 2.3350 - 2.1677 0.98 3705 188 0.1046 0.1296 REMARK 3 6 2.1677 - 2.0399 0.99 3656 222 0.1045 0.1239 REMARK 3 7 2.0399 - 1.9377 0.99 3733 187 0.1025 0.1381 REMARK 3 8 1.9377 - 1.8534 0.98 3651 207 0.1040 0.1267 REMARK 3 9 1.8534 - 1.7820 0.97 3638 208 0.1066 0.1361 REMARK 3 10 1.7820 - 1.7205 0.98 3627 180 0.1058 0.1559 REMARK 3 11 1.7205 - 1.6667 0.98 3679 226 0.1015 0.1376 REMARK 3 12 1.6667 - 1.6191 0.98 3646 208 0.1048 0.1291 REMARK 3 13 1.6191 - 1.5765 0.98 3669 194 0.1110 0.1438 REMARK 3 14 1.5765 - 1.5380 0.98 3701 193 0.1176 0.1652 REMARK 3 15 1.5380 - 1.5031 0.96 3568 169 0.1221 0.1640 REMARK 3 16 1.5031 - 1.4711 0.96 3607 183 0.1318 0.1563 REMARK 3 17 1.4711 - 1.4416 0.97 3657 182 0.1515 0.1781 REMARK 3 18 1.4416 - 1.4144 0.97 3577 220 0.1630 0.1871 REMARK 3 19 1.4144 - 1.3892 0.98 3667 209 0.1691 0.2083 REMARK 3 20 1.3892 - 1.3656 0.97 3577 215 0.1684 0.2001 REMARK 3 21 1.3656 - 1.3436 0.98 3686 209 0.1775 0.2045 REMARK 3 22 1.3436 - 1.3229 0.98 3623 210 0.1862 0.2172 REMARK 3 23 1.3229 - 1.3035 0.97 3590 211 0.2007 0.2467 REMARK 3 24 1.3035 - 1.2851 0.96 3577 206 0.2225 0.2419 REMARK 3 25 1.2851 - 1.2677 0.97 3578 194 0.2227 0.2839 REMARK 3 26 1.2677 - 1.2513 0.97 3647 201 0.2304 0.2362 REMARK 3 27 1.2513 - 1.2356 0.97 3606 196 0.2388 0.2572 REMARK 3 28 1.2356 - 1.2207 0.98 3562 224 0.2435 0.2739 REMARK 3 29 1.2207 - 1.2065 0.98 3688 201 0.2583 0.3020 REMARK 3 30 1.2065 - 1.1930 0.98 3651 214 0.2697 0.3098 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) : 0.130 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 15.510 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 8.67 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 : 0.008 3357 REMARK 3 ANGLE : 0.991 4596 REMARK 3 CHIRALITY : 0.080 501 REMARK 3 PLANARITY : 0.006 599 REMARK 3 DIHEDRAL : 21.472 1149 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL 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 6N3S COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-NOV-18. REMARK 100 THE DEPOSITION ID IS D_1000237990. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 26-SEP-16 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.6-5.8 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID29 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9763 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM 7.2.0 REMARK 200 DATA SCALING SOFTWARE : AIMLESS 1.10.26 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 115537 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.190 REMARK 200 RESOLUTION RANGE LOW (A) : 36.110 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.9 REMARK 200 DATA REDUNDANCY : 3.200 REMARK 200 R MERGE (I) : 0.07500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.19 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.21 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.30 REMARK 200 R MERGE FOR SHELL (I) : 0.47000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER 2.6.1 REMARK 200 STARTING MODEL: 3KKU REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.81 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.26 M NAH2PO4.H2O 0.14 M K2HPO4, PH REMARK 280 5.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 36.10500 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B 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 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 THR A 153 REMARK 475 SER A 154 REMARK 475 VAL A 156 REMARK 475 THR B 153 REMARK 475 SER B 154 REMARK 475 VAL B 156 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 CYS A 155 N CA C O REMARK 480 SER A 157 N O CB OG REMARK 480 GLU A 158 CB CG CD OE2 REMARK 480 GLN B 21 OE1 REMARK 480 GLU B 73 OE2 REMARK 480 GLN B 77 NE2 REMARK 480 GLU B 95 CD OE1 OE2 REMARK 480 MET B 145 CB CG SD CE REMARK 480 CYS B 155 N CA C O CB REMARK 480 SER B 157 O REMARK 480 GLU B 158 CD OE1 OE2 REMARK 480 GLN B 159 CD OE1 REMARK 480 GLN B 187 CD OE1 NE2 REMARK 480 GLU B 191 OE1 REMARK 480 GLY B 215 CA C O 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 H1 ALA A 1 O HOH A 518 1.24 REMARK 500 HZ3 LYS B 17 O HOH B 401 1.37 REMARK 500 H1 ALA A 1 O HOH A 638 1.60 REMARK 500 OE1 GLU A 86 O HOH A 401 1.79 REMARK 500 O HOH A 468 O HOH A 595 1.81 REMARK 500 O HOH A 482 O HOH A 615 1.85 REMARK 500 O HOH A 429 O HOH A 482 1.86 REMARK 500 O HOH B 443 O HOH B 493 1.94 REMARK 500 O HOH B 517 O HOH B 546 1.98 REMARK 500 O HOH A 567 O HOH A 578 1.99 REMARK 500 O HOH A 618 O HOH A 677 2.04 REMARK 500 O HOH A 406 O HOH A 548 2.05 REMARK 500 O HOH A 576 O HOH A 598 2.08 REMARK 500 O HOH A 682 O HOH A 698 2.10 REMARK 500 O HOH B 401 O HOH B 532 2.16 REMARK 500 O HOH A 521 O HOH A 618 2.17 REMARK 500 CE LYS B 17 O HOH B 443 2.17 REMARK 500 O HOH A 436 O HOH A 557 2.17 REMARK 500 O HOH A 590 O HOH A 629 2.19 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 B 411 O HOH B 450 1655 1.83 REMARK 500 O HOH A 588 O HOH A 593 1655 1.95 REMARK 500 O HOH A 677 O HOH B 521 2855 2.00 REMARK 500 O HOH A 421 O HOH B 521 2855 2.04 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 ALA A 92 21.84 -141.29 REMARK 500 THR A 185 165.19 73.82 REMARK 500 SER B 154 71.12 -110.39 REMARK 500 SER B 157 63.03 -114.55 REMARK 500 ASP B 161 7.54 -150.36 REMARK 500 THR B 185 167.33 73.34 REMARK 500 CYS B 203 17.16 59.57 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 702 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH A 703 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH A 704 DISTANCE = 5.99 ANGSTROMS REMARK 525 HOH A 705 DISTANCE = 6.29 ANGSTROMS REMARK 525 HOH A 706 DISTANCE = 6.30 ANGSTROMS REMARK 525 HOH A 707 DISTANCE = 6.37 ANGSTROMS REMARK 525 HOH A 708 DISTANCE = 6.41 ANGSTROMS REMARK 525 HOH A 709 DISTANCE = 6.48 ANGSTROMS REMARK 525 HOH A 710 DISTANCE = 6.49 ANGSTROMS REMARK 525 HOH A 711 DISTANCE = 6.54 ANGSTROMS REMARK 525 HOH A 712 DISTANCE = 6.54 ANGSTROMS REMARK 525 HOH A 713 DISTANCE = 6.57 ANGSTROMS REMARK 525 HOH A 714 DISTANCE = 6.59 ANGSTROMS REMARK 525 HOH A 715 DISTANCE = 6.63 ANGSTROMS REMARK 525 HOH A 716 DISTANCE = 6.66 ANGSTROMS REMARK 525 HOH A 717 DISTANCE = 6.66 ANGSTROMS REMARK 525 HOH A 718 DISTANCE = 6.71 ANGSTROMS REMARK 525 HOH A 719 DISTANCE = 6.74 ANGSTROMS REMARK 525 HOH A 720 DISTANCE = 6.78 ANGSTROMS REMARK 525 HOH A 721 DISTANCE = 6.79 ANGSTROMS REMARK 525 HOH A 722 DISTANCE = 6.92 ANGSTROMS REMARK 525 HOH A 723 DISTANCE = 6.94 ANGSTROMS REMARK 525 HOH A 724 DISTANCE = 6.97 ANGSTROMS REMARK 525 HOH A 725 DISTANCE = 6.98 ANGSTROMS REMARK 525 HOH A 726 DISTANCE = 7.15 ANGSTROMS REMARK 525 HOH A 727 DISTANCE = 7.17 ANGSTROMS REMARK 525 HOH A 728 DISTANCE = 7.25 ANGSTROMS REMARK 525 HOH A 729 DISTANCE = 7.27 ANGSTROMS REMARK 525 HOH A 730 DISTANCE = 7.47 ANGSTROMS REMARK 525 HOH A 731 DISTANCE = 7.52 ANGSTROMS REMARK 525 HOH A 732 DISTANCE = 7.84 ANGSTROMS REMARK 525 HOH A 733 DISTANCE = 7.99 ANGSTROMS REMARK 525 HOH A 734 DISTANCE = 8.15 ANGSTROMS REMARK 525 HOH A 735 DISTANCE = 8.17 ANGSTROMS REMARK 525 HOH A 736 DISTANCE = 9.06 ANGSTROMS REMARK 525 HOH A 737 DISTANCE = 9.21 ANGSTROMS REMARK 525 HOH A 738 DISTANCE = 9.27 ANGSTROMS REMARK 525 HOH A 739 DISTANCE = 9.57 ANGSTROMS REMARK 525 HOH A 740 DISTANCE = 9.64 ANGSTROMS REMARK 525 HOH A 741 DISTANCE = 10.28 ANGSTROMS REMARK 525 HOH A 742 DISTANCE = 10.52 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 A 304 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 A 305 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 302 DBREF 6N3S A 1 215 UNP P25779 CYSP_TRYCR 123 337 DBREF 6N3S B 1 215 UNP P25779 CYSP_TRYCR 123 337 SEQRES 1 A 215 ALA PRO ALA ALA VAL ASP TRP ARG ALA ARG GLY ALA VAL SEQRES 2 A 215 THR ALA VAL LYS ASP GLN GLY GLN CYS GLY SER CYS TRP SEQRES 3 A 215 ALA PHE SER ALA ILE GLY ASN VAL GLU CYS GLN TRP PHE SEQRES 4 A 215 LEU ALA GLY HIS PRO LEU THR ASN LEU SER GLU GLN MET SEQRES 5 A 215 LEU VAL SER CYS ASP LYS THR ASP SER GLY CYS SER GLY SEQRES 6 A 215 GLY LEU MET ASN ASN ALA PHE GLU TRP ILE VAL GLN GLU SEQRES 7 A 215 ASN ASN GLY ALA VAL TYR THR GLU ASP SER TYR PRO TYR SEQRES 8 A 215 ALA SER GLY GLU GLY ILE SER PRO PRO CYS THR THR SER SEQRES 9 A 215 GLY HIS THR VAL GLY ALA THR ILE THR GLY HIS VAL GLU SEQRES 10 A 215 LEU PRO GLN ASP GLU ALA GLN ILE ALA ALA TRP LEU ALA SEQRES 11 A 215 VAL ASN GLY PRO VAL ALA VAL ALA VAL ASP ALA SER SER SEQRES 12 A 215 TRP MET THR TYR THR GLY GLY VAL MET THR SER CYS VAL SEQRES 13 A 215 SER GLU GLN LEU ASP HIS GLY VAL LEU LEU VAL GLY TYR SEQRES 14 A 215 ASN ASP SER ALA ALA VAL PRO TYR TRP ILE ILE LYS ASN SEQRES 15 A 215 SER TRP THR THR GLN TRP GLY GLU GLU GLY TYR ILE ARG SEQRES 16 A 215 ILE ALA LYS GLY SER ASN GLN CYS LEU VAL LYS GLU GLU SEQRES 17 A 215 ALA SER SER ALA VAL VAL GLY SEQRES 1 B 215 ALA PRO ALA ALA VAL ASP TRP ARG ALA ARG GLY ALA VAL SEQRES 2 B 215 THR ALA VAL LYS ASP GLN GLY GLN CYS GLY SER CYS TRP SEQRES 3 B 215 ALA PHE SER ALA ILE GLY ASN VAL GLU CYS GLN TRP PHE SEQRES 4 B 215 LEU ALA GLY HIS PRO LEU THR ASN LEU SER GLU GLN MET SEQRES 5 B 215 LEU VAL SER CYS ASP LYS THR ASP SER GLY CYS SER GLY SEQRES 6 B 215 GLY LEU MET ASN ASN ALA PHE GLU TRP ILE VAL GLN GLU SEQRES 7 B 215 ASN ASN GLY ALA VAL TYR THR GLU ASP SER TYR PRO TYR SEQRES 8 B 215 ALA SER GLY GLU GLY ILE SER PRO PRO CYS THR THR SER SEQRES 9 B 215 GLY HIS THR VAL GLY ALA THR ILE THR GLY HIS VAL GLU SEQRES 10 B 215 LEU PRO GLN ASP GLU ALA GLN ILE ALA ALA TRP LEU ALA SEQRES 11 B 215 VAL ASN GLY PRO VAL ALA VAL ALA VAL ASP ALA SER SER SEQRES 12 B 215 TRP MET THR TYR THR GLY GLY VAL MET THR SER CYS VAL SEQRES 13 B 215 SER GLU GLN LEU ASP HIS GLY VAL LEU LEU VAL GLY TYR SEQRES 14 B 215 ASN ASP SER ALA ALA VAL PRO TYR TRP ILE ILE LYS ASN SEQRES 15 B 215 SER TRP THR THR GLN TRP GLY GLU GLU GLY TYR ILE ARG SEQRES 16 B 215 ILE ALA LYS GLY SER ASN GLN CYS LEU VAL LYS GLU GLU SEQRES 17 B 215 ALA SER SER ALA VAL VAL GLY HET EDO A 301 10 HET EDO A 302 10 HET EDO A 303 10 HET PO4 A 304 5 HET PO4 A 305 5 HET EDO B 301 10 HET EDO B 302 10 HETNAM EDO 1,2-ETHANEDIOL HETNAM PO4 PHOSPHATE ION HETSYN EDO ETHYLENE GLYCOL FORMUL 3 EDO 5(C2 H6 O2) FORMUL 6 PO4 2(O4 P 3-) FORMUL 10 HOH *514(H2 O) HELIX 1 AA1 ARG A 8 GLY A 11 5 4 HELIX 2 AA2 SER A 24 ALA A 41 1 18 HELIX 3 AA3 SER A 49 ASP A 57 1 9 HELIX 4 AA4 SER A 61 GLY A 65 5 5 HELIX 5 AA5 LEU A 67 ASN A 79 1 13 HELIX 6 AA6 ASP A 121 GLY A 133 1 13 HELIX 7 AA7 ASN A 201 VAL A 205 5 5 HELIX 8 AA8 ARG B 8 GLY B 11 5 4 HELIX 9 AA9 SER B 24 ALA B 41 1 18 HELIX 10 AB1 SER B 49 ASP B 57 1 9 HELIX 11 AB2 SER B 61 GLY B 65 5 5 HELIX 12 AB3 LEU B 67 ASN B 79 1 13 HELIX 13 AB4 ASP B 121 GLY B 133 1 13 HELIX 14 AB5 ASN B 201 VAL B 205 5 5 SHEET 1 AA1 5 ALA A 4 ASP A 6 0 SHEET 2 AA1 5 HIS A 162 ASN A 170 -1 O TYR A 169 N VAL A 5 SHEET 3 AA1 5 VAL A 135 VAL A 139 -1 N VAL A 135 O LEU A 166 SHEET 4 AA1 5 ALA A 209 VAL A 213 -1 O SER A 210 N ALA A 136 SHEET 5 AA1 5 GLY A 114 GLU A 117 -1 N VAL A 116 O SER A 211 SHEET 1 AA2 5 ALA A 4 ASP A 6 0 SHEET 2 AA2 5 HIS A 162 ASN A 170 -1 O TYR A 169 N VAL A 5 SHEET 3 AA2 5 TYR A 177 LYS A 181 -1 O ILE A 179 N VAL A 167 SHEET 4 AA2 5 TYR A 193 ALA A 197 -1 O ILE A 196 N TRP A 178 SHEET 5 AA2 5 VAL A 151 MET A 152 1 N MET A 152 O ARG A 195 SHEET 1 AA3 2 ALA A 82 TYR A 84 0 SHEET 2 AA3 2 VAL A 108 THR A 111 -1 O ALA A 110 N VAL A 83 SHEET 1 AA4 5 ALA B 4 ASP B 6 0 SHEET 2 AA4 5 HIS B 162 ASN B 170 -1 O TYR B 169 N VAL B 5 SHEET 3 AA4 5 VAL B 135 VAL B 139 -1 N VAL B 135 O LEU B 166 SHEET 4 AA4 5 ALA B 209 VAL B 213 -1 O SER B 210 N ALA B 136 SHEET 5 AA4 5 GLY B 114 GLU B 117 -1 N VAL B 116 O SER B 211 SHEET 1 AA5 5 ALA B 4 ASP B 6 0 SHEET 2 AA5 5 HIS B 162 ASN B 170 -1 O TYR B 169 N VAL B 5 SHEET 3 AA5 5 TYR B 177 LYS B 181 -1 O LYS B 181 N LEU B 165 SHEET 4 AA5 5 TYR B 193 ALA B 197 -1 O ILE B 194 N ILE B 180 SHEET 5 AA5 5 VAL B 151 MET B 152 1 N MET B 152 O ARG B 195 SHEET 1 AA6 2 ALA B 82 TYR B 84 0 SHEET 2 AA6 2 VAL B 108 THR B 111 -1 O GLY B 109 N VAL B 83 SSBOND 1 CYS A 22 CYS A 63 1555 1555 2.05 SSBOND 2 CYS A 56 CYS A 101 1555 1555 2.06 SSBOND 3 CYS A 155 CYS A 203 1555 1555 1.93 SSBOND 4 CYS B 22 CYS B 63 1555 1555 2.03 SSBOND 5 CYS B 56 CYS B 101 1555 1555 2.09 SSBOND 6 CYS B 155 CYS B 203 1555 1555 2.01 SITE 1 AC1 6 GLN A 37 LEU A 40 ALA A 41 VAL A 213 SITE 2 AC1 6 VAL A 214 HOH A 477 SITE 1 AC2 7 ASN A 79 ASN A 80 ALA A 82 TYR A 84 SITE 2 AC2 7 VAL A 108 HOH A 426 HOH A 565 SITE 1 AC3 4 GLN A 21 GLY A 23 CYS A 63 GLY A 96 SITE 1 AC4 7 ASN A 170 TYR A 177 ARG A 195 PO4 A 305 SITE 2 AC4 7 HOH A 416 HOH A 435 HOH A 572 SITE 1 AC5 6 TYR A 177 ILE A 179 PO4 A 304 HOH A 412 SITE 2 AC5 6 HOH A 446 HOH A 448 SITE 1 AC6 3 VAL B 5 ASP B 6 TRP B 7 SITE 1 AC7 4 THR B 146 TYR B 147 THR B 148 GLY B 149 CRYST1 32.830 72.210 79.820 90.00 91.53 90.00 P 1 21 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 0.030460 0.000000 0.000814 0.00000 SCALE2 0.000000 0.013848 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012533 0.00000 ATOM 1 N ALA A 1 46.584 28.534 18.633 1.00 15.28 N ANISOU 1 N ALA A 1 2073 1664 2070 -355 416 -162 N ATOM 2 CA ALA A 1 45.719 27.465 18.047 1.00 13.20 C ANISOU 2 CA ALA A 1 1702 1520 1792 -288 374 -195 C ATOM 3 C ALA A 1 44.704 27.041 19.093 1.00 11.43 C ANISOU 3 C ALA A 1 1560 1363 1421 10 145 -241 C ATOM 4 O ALA A 1 44.935 27.299 20.227 1.00 13.18 O ANISOU 4 O ALA A 1 2074 1463 1469 -58 28 -387 O ATOM 5 CB ALA A 1 46.574 26.286 17.653 1.00 13.30 C ANISOU 5 CB ALA A 1 1690 1571 1791 -450 404 -162 C ATOM 6 H1 ALA A 1 49.503 28.876 18.068 1.00 18.34 H ATOM 7 H2 ALA A 1 45.962 31.524 18.049 1.00 18.34 H ATOM 8 H3 ALA A 1 46.973 28.937 21.397 1.00 18.34 H ATOM 9 HA ALA A 1 45.249 27.803 17.257 1.00 15.84 H ATOM 10 HB1 ALA A 1 46.010 25.601 17.286 1.00 15.96 H ATOM 11 HB2 ALA A 1 47.214 26.570 16.996 1.00 15.96 H ATOM 12 HB3 ALA A 1 47.027 25.955 18.432 1.00 15.96 H ATOM 13 N PRO A 2 43.621 26.368 18.726 1.00 9.76 N ANISOU 13 N PRO A 2 1536 1141 1033 100 -134 -206 N ATOM 14 CA PRO A 2 42.674 25.927 19.756 1.00 9.16 C ANISOU 14 CA PRO A 2 1500 1049 933 230 -292 -182 C ATOM 15 C PRO A 2 43.345 25.006 20.762 1.00 8.02 C ANISOU 15 C PRO A 2 1318 935 793 245 -302 -214 C ATOM 16 O PRO A 2 44.350 24.348 20.484 1.00 8.20 O ANISOU 16 O PRO A 2 1384 890 840 186 -124 -110 O ATOM 17 CB PRO A 2 41.597 25.176 18.964 1.00 9.63 C ANISOU 17 CB PRO A 2 1568 1155 935 288 -359 -93 C ATOM 18 CG PRO A 2 41.719 25.705 17.567 1.00 11.56 C ANISOU 18 CG PRO A 2 2109 1318 964 184 -237 -107 C ATOM 19 CD PRO A 2 43.172 25.979 17.377 1.00 10.95 C ANISOU 19 CD PRO A 2 1921 1276 963 138 -143 -158 C ATOM 20 HA PRO A 2 42.279 26.686 20.213 1.00 11.00 H ATOM 21 HB2 PRO A 2 41.776 24.223 18.989 1.00 11.55 H ATOM 22 HB3 PRO A 2 40.722 25.373 19.333 1.00 11.55 H ATOM 23 HG2 PRO A 2 41.411 25.036 16.936 1.00 13.87 H ATOM 24 HG3 PRO A 2 41.202 26.522 17.480 1.00 13.87 H ATOM 25 HD2 PRO A 2 43.632 25.177 17.085 1.00 13.14 H ATOM 26 HD3 PRO A 2 43.300 26.711 16.753 1.00 13.14 H ATOM 27 N ALA A 3 42.756 24.948 21.956 1.00 7.77 N ANISOU 27 N ALA A 3 1366 930 658 184 -290 -307 N ATOM 28 CA ALA A 3 43.312 24.095 22.999 1.00 7.30 C ANISOU 28 CA ALA A 3 1040 1064 671 52 -367 -306 C ATOM 29 C ALA A 3 43.208 22.618 22.657 1.00 6.73 C ANISOU 29 C ALA A 3 964 1007 585 -1 -293 -251 C ATOM 30 O ALA A 3 43.970 21.812 23.203 1.00 7.76 O ANISOU 30 O ALA A 3 1268 1016 663 -42 -392 -249 O ATOM 31 CB ALA A 3 42.601 24.358 24.320 1.00 8.42 C ANISOU 31 CB ALA A 3 1399 1103 698 46 -277 -399 C ATOM 32 H ALA A 3 42.050 25.383 22.182 1.00 9.33 H ATOM 33 HA ALA A 3 44.251 24.310 23.115 1.00 8.76 H ATOM 34 HB1 ALA A 3 42.981 23.784 25.003 1.00 10.11 H ATOM 35 HB2 ALA A 3 42.723 25.289 24.564 1.00 10.11 H ATOM 36 HB3 ALA A 3 41.656 24.164 24.213 1.00 10.11 H ATOM 37 N ALA A 4 42.269 22.246 21.792 1.00 6.71 N ANISOU 37 N ALA A 4 1163 935 451 68 -233 -201 N ATOM 38 CA ALA A 4 42.073 20.856 21.408 1.00 7.14 C ANISOU 38 CA ALA A 4 1197 1018 498 147 -286 -202 C ATOM 39 C ALA A 4 41.289 20.838 20.112 1.00 6.48 C ANISOU 39 C ALA A 4 892 1072 498 153 -284 -197 C ATOM 40 O ALA A 4 40.485 21.738 19.849 1.00 7.34 O ANISOU 40 O ALA A 4 1082 1114 592 132 -337 -273 O ATOM 41 CB ALA A 4 41.302 20.078 22.478 1.00 6.83 C ANISOU 41 CB ALA A 4 971 1033 591 97 -365 -215 C ATOM 42 H ALA A 4 41.724 22.791 21.410 1.00 8.05 H ATOM 43 HA ALA A 4 42.932 20.428 21.263 1.00 8.57 H ATOM 44 HB1 ALA A 4 41.194 19.160 22.183 1.00 8.20 H ATOM 45 HB2 ALA A 4 41.803 20.103 23.308 1.00 8.20 H ATOM 46 HB3 ALA A 4 40.433 20.491 22.603 1.00 8.20 H ATOM 47 N VAL A 5 41.558 19.807 19.303 1.00 6.38 N ANISOU 47 N VAL A 5 906 1034 486 139 -286 -187 N ATOM 48 CA VAL A 5 40.940 19.591 17.997 1.00 6.20 C ANISOU 48 CA VAL A 5 787 1055 515 -51 -237 -250 C ATOM 49 C VAL A 5 40.748 18.097 17.813 1.00 6.34 C ANISOU 49 C VAL A 5 841 1043 525 -104 -208 -281 C ATOM 50 O VAL A 5 41.579 17.296 18.239 1.00 6.82 O ANISOU 50 O VAL A 5 897 1050 643 146 -361 -268 O ATOM 51 CB VAL A 5 41.863 20.124 16.876 1.00 7.75 C ANISOU 51 CB VAL A 5 1111 1330 505 -110 -121 -233 C ATOM 52 CG1 VAL A 5 41.355 19.754 15.474 1.00 9.34 C ANISOU 52 CG1 VAL A 5 1524 1499 527 -195 -202 -160 C ATOM 53 CG2 VAL A 5 42.020 21.610 16.997 1.00 8.61 C ANISOU 53 CG2 VAL A 5 1280 1406 585 -104 -117 -71 C ATOM 54 H VAL A 5 42.125 19.192 19.504 1.00 7.66 H ATOM 55 HA VAL A 5 40.080 20.037 17.949 1.00 7.44 H ATOM 56 HB VAL A 5 42.741 19.726 16.983 1.00 9.30 H ATOM 57 HG11 VAL A 5 41.968 20.112 14.813 1.00 11.21 H ATOM 58 HG12 VAL A 5 41.313 18.788 15.399 1.00 11.21 H ATOM 59 HG13 VAL A 5 40.472 20.136 15.348 1.00 11.21 H ATOM 60 HG21 VAL A 5 42.601 21.924 16.286 1.00 10.33 H ATOM 61 HG22 VAL A 5 41.147 22.026 16.920 1.00 10.33 H ATOM 62 HG23 VAL A 5 42.411 21.816 17.860 1.00 10.33 H ATOM 63 N ASP A 6 39.660 17.713 17.146 1.00 6.28 N ANISOU 63 N ASP A 6 727 1122 536 -143 -252 -162 N ATOM 64 CA ASP A 6 39.439 16.304 16.812 1.00 6.27 C ANISOU 64 CA ASP A 6 737 1127 518 -215 -181 -195 C ATOM 65 C ASP A 6 38.557 16.245 15.567 1.00 6.35 C ANISOU 65 C ASP A 6 755 1128 530 -1 -229 -204 C ATOM 66 O ASP A 6 37.345 16.466 15.647 1.00 7.17 O ANISOU 66 O ASP A 6 887 1263 573 231 -293 -180 O ATOM 67 CB ASP A 6 38.798 15.570 17.979 1.00 6.66 C ANISOU 67 CB ASP A 6 868 1160 503 -249 -117 -184 C ATOM 68 CG ASP A 6 38.708 14.069 17.769 1.00 7.16 C ANISOU 68 CG ASP A 6 912 1243 565 -63 -221 -95 C ATOM 69 OD1 ASP A 6 38.544 13.363 18.791 1.00 7.82 O ANISOU 69 OD1 ASP A 6 1161 1252 560 -188 -221 -63 O ATOM 70 OD2 ASP A 6 38.768 13.597 16.610 1.00 7.56 O ANISOU 70 OD2 ASP A 6 1057 1221 594 -26 -232 -131 O ATOM 71 H ASP A 6 39.039 18.243 16.877 1.00 7.53 H ATOM 72 HA ASP A 6 40.288 15.881 16.609 1.00 7.52 H ATOM 73 HB2 ASP A 6 39.326 15.727 18.778 1.00 7.99 H ATOM 74 HB3 ASP A 6 37.898 15.908 18.107 1.00 7.99 H ATOM 75 N TRP A 7 39.178 15.969 14.443 1.00 6.21 N ANISOU 75 N TRP A 7 900 1025 434 -15 -262 -163 N ATOM 76 CA TRP A 7 38.427 15.981 13.136 1.00 5.99 C ANISOU 76 CA TRP A 7 867 983 427 73 -271 -126 C ATOM 77 C TRP A 7 37.359 14.903 13.063 1.00 5.93 C ANISOU 77 C TRP A 7 876 971 407 160 -204 -41 C ATOM 78 O TRP A 7 36.503 14.961 12.169 1.00 5.96 O ANISOU 78 O TRP A 7 810 1007 446 -13 -263 -26 O ATOM 79 CB TRP A 7 39.419 15.896 11.989 1.00 5.78 C ANISOU 79 CB TRP A 7 787 992 418 27 -156 -203 C ATOM 80 CG TRP A 7 40.083 17.249 11.842 1.00 6.36 C ANISOU 80 CG TRP A 7 947 1040 428 -31 -141 -235 C ATOM 81 CD1 TRP A 7 41.288 17.632 12.284 1.00 6.33 C ANISOU 81 CD1 TRP A 7 926 1024 454 -21 -188 -160 C ATOM 82 CD2 TRP A 7 39.506 18.412 11.257 1.00 6.50 C ANISOU 82 CD2 TRP A 7 937 1057 476 117 -252 -89 C ATOM 83 NE1 TRP A 7 41.523 18.948 12.009 1.00 6.26 N ANISOU 83 NE1 TRP A 7 896 993 488 101 -337 -30 N ATOM 84 CE2 TRP A 7 40.424 19.458 11.373 1.00 6.72 C ANISOU 84 CE2 TRP A 7 991 1076 487 115 -333 -34 C ATOM 85 CE3 TRP A 7 38.257 18.670 10.623 1.00 7.00 C ANISOU 85 CE3 TRP A 7 935 1173 550 379 -262 -24 C ATOM 86 CZ2 TRP A 7 40.161 20.775 10.880 1.00 7.62 C ANISOU 86 CZ2 TRP A 7 1221 1177 499 153 -326 25 C ATOM 87 CZ3 TRP A 7 37.995 19.949 10.125 1.00 7.58 C ANISOU 87 CZ3 TRP A 7 1083 1189 607 317 -315 -32 C ATOM 88 CH2 TRP A 7 38.938 20.976 10.241 1.00 8.25 C ANISOU 88 CH2 TRP A 7 1375 1171 588 175 -302 -41 C ATOM 89 N ARG A 8 37.383 13.906 13.964 1.00 5.86 N ANISOU 89 N ARG A 8 831 956 438 -20 -315 -37 N ATOM 90 CA ARG A 8 36.265 12.978 14.002 1.00 6.35 C ANISOU 90 CA ARG A 8 964 965 485 -47 -333 -107 C ATOM 91 C ARG A 8 34.971 13.699 14.344 1.00 6.79 C ANISOU 91 C ARG A 8 824 1159 598 -108 -327 -180 C ATOM 92 O ARG A 8 33.892 13.236 13.966 1.00 7.62 O ANISOU 92 O ARG A 8 866 1306 723 -138 -420 -68 O ATOM 93 CB ARG A 8 36.544 11.839 14.987 1.00 7.65 C ANISOU 93 CB ARG A 8 1365 990 552 -28 -391 -42 C ATOM 94 CG ARG A 8 37.761 10.990 14.573 1.00 8.34 C ANISOU 94 CG ARG A 8 1499 1098 572 95 -395 -47 C ATOM 95 CD ARG A 8 38.136 9.963 15.603 1.00 9.07 C ANISOU 95 CD ARG A 8 1519 1245 682 209 -336 30 C ATOM 96 NE ARG A 8 38.632 10.605 16.804 1.00 9.02 N ANISOU 96 NE ARG A 8 1255 1389 785 144 -174 143 N ATOM 97 CZ ARG A 8 39.035 9.953 17.887 1.00 9.24 C ANISOU 97 CZ ARG A 8 1130 1513 866 155 -109 200 C ATOM 98 NH1 ARG A 8 39.020 8.626 17.923 1.00 10.32 N ANISOU 98 NH1 ARG A 8 1354 1637 931 349 -27 223 N ATOM 99 NH2 ARG A 8 39.428 10.635 18.945 1.00 9.08 N ANISOU 99 NH2 ARG A 8 1069 1522 859 63 -342 169 N ATOM 100 H ARG A 8 38.002 13.759 14.543 1.00 7.03 H ATOM 101 HA ARG A 8 36.159 12.586 13.122 1.00 7.62 H ATOM 102 HB2 ARG A 8 36.722 12.213 15.864 1.00 9.18 H ATOM 103 HB3 ARG A 8 35.769 11.256 15.025 1.00 9.18 H ATOM 104 HG2 ARG A 8 37.554 10.525 13.747 1.00 10.01 H ATOM 105 HG3 ARG A 8 38.523 11.575 14.442 1.00 10.01 H ATOM 106 HD2 ARG A 8 37.354 9.438 15.835 1.00 10.88 H ATOM 107 HD3 ARG A 8 38.835 9.391 15.249 1.00 10.88 H ATOM 108 HE ARG A 8 38.667 11.464 16.816 1.00 10.83 H ATOM 109 HH11 ARG A 8 38.750 8.181 17.239 1.00 12.39 H ATOM 110 HH12 ARG A 8 39.284 8.212 18.629 1.00 12.39 H ATOM 111 HH21 ARG A 8 39.443 11.495 18.921 1.00 10.90 H ATOM 112 HH22 ARG A 8 39.703 10.220 19.646 1.00 10.90 H ATOM 113 N ALA A 9 35.047 14.832 15.050 1.00 7.57 N ANISOU 113 N ALA A 9 932 1338 608 47 -283 -232 N ATOM 114 CA ALA A 9 33.836 15.573 15.398 1.00 8.44 C ANISOU 114 CA ALA A 9 971 1543 692 115 -170 -276 C ATOM 115 C ALA A 9 33.143 16.177 14.181 1.00 8.94 C ANISOU 115 C ALA A 9 960 1622 813 78 -131 -269 C ATOM 116 O ALA A 9 31.954 16.504 14.258 1.00 10.41 O ANISOU 116 O ALA A 9 1119 1877 958 162 -162 -168 O ATOM 117 CB ALA A 9 34.151 16.666 16.416 1.00 9.02 C ANISOU 117 CB ALA A 9 1039 1638 750 -84 -125 -337 C ATOM 118 H ALA A 9 35.777 15.186 15.335 1.00 9.09 H ATOM 119 HA ALA A 9 33.211 14.959 15.813 1.00 10.13 H ATOM 120 HB1 ALA A 9 33.334 17.142 16.630 1.00 10.82 H ATOM 121 HB2 ALA A 9 34.515 16.256 17.217 1.00 10.82 H ATOM 122 HB3 ALA A 9 34.800 17.277 16.033 1.00 10.82 H ATOM 123 N ARG A 10 33.859 16.354 13.078 1.00 8.10 N ANISOU 123 N ARG A 10 860 1484 735 291 -137 -290 N ATOM 124 CA ARG A 10 33.299 16.806 11.811 1.00 9.09 C ANISOU 124 CA ARG A 10 1073 1520 860 227 -355 -203 C ATOM 125 C ARG A 10 32.850 15.653 10.932 1.00 8.74 C ANISOU 125 C ARG A 10 1035 1582 702 209 -227 -131 C ATOM 126 O ARG A 10 32.353 15.895 9.825 1.00 9.37 O ANISOU 126 O ARG A 10 1121 1720 721 408 -256 -47 O ATOM 127 CB ARG A 10 34.348 17.621 11.043 1.00 11.07 C ANISOU 127 CB ARG A 10 1412 1536 1260 308 -461 -185 C ATOM 128 CG ARG A 10 34.455 19.072 11.476 1.00 13.30 C ANISOU 128 CG ARG A 10 1715 1634 1703 197 -451 -123 C ATOM 129 CD ARG A 10 33.406 19.955 10.788 1.00 14.97 C ANISOU 129 CD ARG A 10 1829 1789 2069 529 -473 -43 C ATOM 130 NE ARG A 10 33.731 20.295 9.389 1.00 17.32 N ANISOU 130 NE ARG A 10 2251 2014 2316 681 -890 -94 N ATOM 131 CZ ARG A 10 33.122 19.836 8.302 1.00 19.25 C ANISOU 131 CZ ARG A 10 2511 2194 2608 511 -548 -64 C ATOM 132 NH1 ARG A 10 32.114 18.978 8.377 1.00 20.22 N ANISOU 132 NH1 ARG A 10 2668 2298 2716 307 -518 -106 N ATOM 133 NH2 ARG A 10 33.544 20.247 7.117 1.00 18.17 N ANISOU 133 NH2 ARG A 10 2026 2216 2663 410 -478 15 N ATOM 134 H ARG A 10 34.706 16.212 13.038 1.00 9.72 H ATOM 135 HA ARG A 10 32.533 17.376 11.983 1.00 10.91 H ATOM 136 HB2 ARG A 10 35.217 17.210 11.174 1.00 13.29 H ATOM 137 HB3 ARG A 10 34.121 17.611 10.101 1.00 13.29 H ATOM 138 HG2 ARG A 10 34.316 19.129 12.435 1.00 15.96 H ATOM 139 HG3 ARG A 10 35.334 19.410 11.245 1.00 15.96 H ATOM 140 HD2 ARG A 10 32.556 19.488 10.789 1.00 17.96 H ATOM 141 HD3 ARG A 10 33.325 20.786 11.283 1.00 17.96 H ATOM 142 HE ARG A 10 34.380 20.845 9.266 1.00 20.78 H ATOM 143 HH11 ARG A 10 31.836 18.707 9.144 1.00 24.26 H ATOM 144 HH12 ARG A 10 31.736 18.694 7.658 1.00 24.26 H ATOM 145 HH21 ARG A 10 34.198 20.802 7.063 1.00 21.81 H ATOM 146 HH22 ARG A 10 33.162 19.959 6.402 1.00 21.81 H ATOM 147 N GLY A 11 33.038 14.412 11.374 1.00 8.77 N ANISOU 147 N GLY A 11 1165 1530 639 194 -122 -132 N ATOM 148 CA GLY A 11 32.771 13.268 10.523 1.00 8.23 C ANISOU 148 CA GLY A 11 1029 1414 683 60 -91 -114 C ATOM 149 C GLY A 11 33.700 13.190 9.341 1.00 7.96 C ANISOU 149 C GLY A 11 974 1302 748 128 -322 -183 C ATOM 150 O GLY A 11 33.336 12.638 8.307 1.00 9.16 O ANISOU 150 O GLY A 11 1067 1484 931 102 -390 -312 O ATOM 151 H GLY A 11 33.318 14.210 12.162 1.00 10.53 H ATOM 152 HA2 GLY A 11 32.865 12.453 11.041 1.00 9.87 H ATOM 153 HA3 GLY A 11 31.860 13.318 10.193 1.00 9.87 H ATOM 154 N ALA A 12 34.927 13.661 9.504 1.00 7.10 N ANISOU 154 N ALA A 12 811 1178 710 174 -404 -92 N ATOM 155 CA ALA A 12 35.852 13.804 8.398 1.00 7.66 C ANISOU 155 CA ALA A 12 1098 1174 638 325 -326 -68 C ATOM 156 C ALA A 12 36.771 12.618 8.225 1.00 6.76 C ANISOU 156 C ALA A 12 789 1246 533 216 -276 -70 C ATOM 157 O ALA A 12 37.567 12.627 7.287 1.00 7.73 O ANISOU 157 O ALA A 12 963 1335 638 215 -55 28 O ATOM 158 CB ALA A 12 36.691 15.074 8.571 1.00 7.76 C ANISOU 158 CB ALA A 12 1133 1195 622 183 -325 -100 C ATOM 159 H ALA A 12 35.251 13.909 10.261 1.00 8.52 H ATOM 160 HA ALA A 12 35.341 13.900 7.579 1.00 9.19 H ATOM 161 HB1 ALA A 12 37.303 15.152 7.822 1.00 9.32 H ATOM 162 HB2 ALA A 12 36.099 15.842 8.596 1.00 9.32 H ATOM 163 HB3 ALA A 12 37.189 15.012 9.401 1.00 9.32 H ATOM 164 N VAL A 13 36.653 11.597 9.076 1.00 7.06 N ANISOU 164 N VAL A 13 984 1203 496 226 -220 -48 N ATOM 165 CA VAL A 13 37.605 10.490 9.114 1.00 6.47 C ANISOU 165 CA VAL A 13 841 1152 464 163 -265 -86 C ATOM 166 C VAL A 13 36.856 9.187 8.866 1.00 7.19 C ANISOU 166 C VAL A 13 1067 1139 526 243 -301 -48 C ATOM 167 O VAL A 13 35.854 8.902 9.530 1.00 7.42 O ANISOU 167 O VAL A 13 1051 1191 579 116 -168 -123 O ATOM 168 CB VAL A 13 38.381 10.439 10.451 1.00 6.57 C ANISOU 168 CB VAL A 13 852 1155 488 -26 -217 -114 C ATOM 169 CG1 VAL A 13 39.502 9.428 10.381 1.00 7.05 C ANISOU 169 CG1 VAL A 13 831 1229 620 -53 -304 -173 C ATOM 170 CG2 VAL A 13 38.913 11.812 10.850 1.00 7.29 C ANISOU 170 CG2 VAL A 13 1181 1151 437 -11 -219 -4 C ATOM 171 H VAL A 13 36.018 11.524 9.651 1.00 8.47 H ATOM 172 HA VAL A 13 38.250 10.605 8.399 1.00 7.76 H ATOM 173 HB VAL A 13 37.771 10.149 11.148 1.00 7.88 H ATOM 174 HG11 VAL A 13 39.970 9.417 11.231 1.00 8.46 H ATOM 175 HG12 VAL A 13 39.126 8.552 10.199 1.00 8.46 H ATOM 176 HG13 VAL A 13 40.111 9.681 9.671 1.00 8.46 H ATOM 177 HG21 VAL A 13 39.391 11.733 11.690 1.00 8.75 H ATOM 178 HG22 VAL A 13 39.512 12.131 10.157 1.00 8.75 H ATOM 179 HG23 VAL A 13 38.166 12.423 10.950 1.00 8.75 H ATOM 180 N THR A 14 37.335 8.406 7.908 1.00 6.80 N ANISOU 180 N THR A 14 1074 988 522 18 -302 -62 N ATOM 181 CA THR A 14 36.725 7.114 7.641 1.00 6.46 C ANISOU 181 CA THR A 14 884 983 588 68 -302 -38 C ATOM 182 C THR A 14 37.078 6.124 8.747 1.00 7.02 C ANISOU 182 C THR A 14 967 1069 630 2 -251 -15 C ATOM 183 O THR A 14 37.927 6.374 9.607 1.00 7.34 O ANISOU 183 O THR A 14 1045 1164 581 33 -316 -35 O ATOM 184 CB THR A 14 37.227 6.539 6.314 1.00 7.44 C ANISOU 184 CB THR A 14 1144 1081 601 126 -353 -93 C ATOM 185 OG1 THR A 14 38.626 6.255 6.423 1.00 7.17 O ANISOU 185 OG1 THR A 14 1080 1075 570 166 -285 -106 O ATOM 186 CG2 THR A 14 36.961 7.492 5.139 1.00 8.28 C ANISOU 186 CG2 THR A 14 1320 1181 645 209 -388 -129 C ATOM 187 H THR A 14 38.004 8.598 7.403 1.00 8.16 H ATOM 188 HA THR A 14 35.761 7.207 7.598 1.00 7.75 H ATOM 189 HB THR A 14 36.754 5.712 6.136 1.00 8.93 H ATOM 190 HG1 THR A 14 38.912 5.938 5.700 1.00 8.61 H ATOM 191 HG21 THR A 14 37.289 7.101 4.315 1.00 9.94 H ATOM 192 HG22 THR A 14 36.008 7.654 5.054 1.00 9.94 H ATOM 193 HG23 THR A 14 37.412 8.337 5.289 1.00 9.94 H ATOM 194 N ALA A 15 36.414 4.979 8.697 1.00 7.55 N ANISOU 194 N ALA A 15 1002 1088 778 -114 -271 14 N ATOM 195 CA ALA A 15 36.635 3.919 9.662 1.00 7.97 C ANISOU 195 CA ALA A 15 1016 1127 887 -188 -195 12 C ATOM 196 C ALA A 15 38.073 3.421 9.622 1.00 7.69 C ANISOU 196 C ALA A 15 1128 1075 719 -178 -154 -44 C ATOM 197 O ALA A 15 38.774 3.527 8.611 1.00 7.51 O ANISOU 197 O ALA A 15 1141 1111 602 28 -248 27 O ATOM 198 CB ALA A 15 35.672 2.770 9.391 1.00 9.58 C ANISOU 198 CB ALA A 15 1309 1225 1106 -205 -143 123 C ATOM 199 H ALA A 15 35.821 4.791 8.103 1.00 9.06 H ATOM 200 HA ALA A 15 36.458 4.258 10.553 1.00 9.57 H ATOM 201 HB1 ALA A 15 35.828 2.067 10.041 1.00 11.50 H ATOM 202 HB2 ALA A 15 34.762 3.097 9.469 1.00 11.50 H ATOM 203 HB3 ALA A 15 35.827 2.433 8.495 1.00 11.50 H ATOM 204 N VAL A 16 38.513 2.894 10.766 1.00 7.49 N ANISOU 204 N VAL A 16 1102 1072 671 -144 -232 -54 N ATOM 205 CA VAL A 16 39.833 2.299 10.893 1.00 7.67 C ANISOU 205 CA VAL A 16 1162 1013 739 -222 -315 -69 C ATOM 206 C VAL A 16 39.916 1.060 10.016 1.00 7.91 C ANISOU 206 C VAL A 16 1217 938 850 -305 -259 -97 C ATOM 207 O VAL A 16 39.008 0.217 10.008 1.00 8.30 O ANISOU 207 O VAL A 16 1273 951 928 -349 -33 -91 O ATOM 208 CB VAL A 16 40.107 1.962 12.367 1.00 7.21 C ANISOU 208 CB VAL A 16 1043 1019 677 -135 -278 -20 C ATOM 209 CG1 VAL A 16 41.320 1.076 12.527 1.00 7.94 C ANISOU 209 CG1 VAL A 16 1348 1045 622 -145 -308 -63 C ATOM 210 CG2 VAL A 16 40.277 3.244 13.186 1.00 7.67 C ANISOU 210 CG2 VAL A 16 1134 1036 745 -4 -286 67 C ATOM 211 H VAL A 16 38.053 2.871 11.492 1.00 8.99 H ATOM 212 HA VAL A 16 40.504 2.933 10.594 1.00 9.20 H ATOM 213 HB VAL A 16 39.343 1.483 12.724 1.00 8.65 H ATOM 214 HG11 VAL A 16 41.453 0.891 13.469 1.00 9.52 H ATOM 215 HG12 VAL A 16 41.171 0.248 12.044 1.00 9.52 H ATOM 216 HG13 VAL A 16 42.095 1.535 12.166 1.00 9.52 H ATOM 217 HG21 VAL A 16 40.448 3.007 14.111 1.00 9.21 H ATOM 218 HG22 VAL A 16 41.024 3.749 12.830 1.00 9.21 H ATOM 219 HG23 VAL A 16 39.463 3.768 13.124 1.00 9.21 H ATOM 220 N LYS A 17 41.006 0.950 9.283 1.00 7.75 N ANISOU 220 N LYS A 17 1220 881 845 -230 -163 -52 N ATOM 221 CA LYS A 17 41.250 -0.127 8.350 1.00 7.78 C ANISOU 221 CA LYS A 17 1124 953 879 -240 -62 -141 C ATOM 222 C LYS A 17 42.287 -1.108 8.898 1.00 7.90 C ANISOU 222 C LYS A 17 1133 972 897 -169 -141 -173 C ATOM 223 O LYS A 17 42.818 -0.962 10.011 1.00 7.30 O ANISOU 223 O LYS A 17 901 1041 831 -15 -184 -41 O ATOM 224 CB LYS A 17 41.689 0.460 7.014 1.00 8.64 C ANISOU 224 CB LYS A 17 1335 994 952 -206 83 -45 C ATOM 225 CG LYS A 17 40.690 1.438 6.411 1.00 10.95 C ANISOU 225 CG LYS A 17 1992 1139 1031 111 -66 76 C ATOM 226 CD LYS A 17 41.053 1.874 4.994 1.00 12.37 C ANISOU 226 CD LYS A 17 2242 1267 1190 -61 -18 153 C ATOM 227 CE LYS A 17 40.135 2.987 4.452 1.00 12.72 C ANISOU 227 CE LYS A 17 2232 1350 1252 -189 162 224 C ATOM 228 NZ LYS A 17 40.507 3.418 3.072 1.00 12.34 N ANISOU 228 NZ LYS A 17 2106 1342 1241 -6 7 233 N ATOM 229 H LYS A 17 41.651 1.519 9.312 1.00 9.30 H ATOM 230 HA LYS A 17 40.423 -0.614 8.207 1.00 9.34 H ATOM 231 HB2 LYS A 17 42.526 0.933 7.141 1.00 10.36 H ATOM 232 HB3 LYS A 17 41.814 -0.264 6.380 1.00 10.36 H ATOM 233 HG2 LYS A 17 39.818 1.015 6.379 1.00 13.14 H ATOM 234 HG3 LYS A 17 40.652 2.231 6.968 1.00 13.14 H ATOM 235 HD2 LYS A 17 41.964 2.210 4.991 1.00 14.84 H ATOM 236 HD3 LYS A 17 40.980 1.110 4.401 1.00 14.84 H ATOM 237 HE2 LYS A 17 39.222 2.660 4.429 1.00 15.27 H ATOM 238 HE3 LYS A 17 40.196 3.760 5.036 1.00 15.27 H ATOM 239 HZ1 LYS A 17 39.956 4.060 2.795 1.00 14.81 H ATOM 240 HZ2 LYS A 17 41.341 3.731 3.065 1.00 14.81 H ATOM 241 HZ3 LYS A 17 40.453 2.728 2.513 1.00 14.81 H ATOM 242 N ASP A 18 42.561 -2.143 8.107 1.00 8.62 N ANISOU 242 N ASP A 18 1279 1044 951 -91 -100 -242 N ATOM 243 CA ASP A 18 43.463 -3.221 8.499 1.00 9.45 C ANISOU 243 CA ASP A 18 1497 1010 1083 -10 -191 -175 C ATOM 244 C ASP A 18 44.435 -3.467 7.354 1.00 8.81 C ANISOU 244 C ASP A 18 1383 952 1013 23 -261 -187 C ATOM 245 O ASP A 18 44.064 -4.049 6.331 1.00 9.30 O ANISOU 245 O ASP A 18 1514 965 1054 -76 -227 -234 O ATOM 246 CB ASP A 18 42.663 -4.487 8.787 1.00 10.72 C ANISOU 246 CB ASP A 18 1680 1051 1341 163 109 -88 C ATOM 247 CG ASP A 18 43.530 -5.643 9.260 1.00 12.16 C ANISOU 247 CG ASP A 18 2009 1091 1519 133 286 -41 C ATOM 248 OD1 ASP A 18 42.984 -6.753 9.453 1.00 14.34 O ANISOU 248 OD1 ASP A 18 2503 1259 1688 -10 419 -105 O ATOM 249 OD2 ASP A 18 44.749 -5.442 9.451 1.00 12.55 O ANISOU 249 OD2 ASP A 18 2200 1074 1493 314 292 29 O ATOM 250 H ASP A 18 42.229 -2.244 7.321 1.00 10.34 H ATOM 251 HA ASP A 18 43.961 -2.970 9.292 1.00 11.34 H ATOM 252 HB2 ASP A 18 42.013 -4.298 9.481 1.00 12.86 H ATOM 253 HB3 ASP A 18 42.211 -4.766 7.976 1.00 12.86 H ATOM 254 N GLN A 19 45.685 -3.041 7.524 1.00 8.06 N ANISOU 254 N GLN A 19 1368 874 820 -62 -401 -165 N ATOM 255 CA GLN A 19 46.681 -3.274 6.492 1.00 7.94 C ANISOU 255 CA GLN A 19 1405 853 759 7 -307 -118 C ATOM 256 C GLN A 19 47.126 -4.723 6.436 1.00 7.83 C ANISOU 256 C GLN A 19 1460 818 697 110 -451 -143 C ATOM 257 O GLN A 19 47.777 -5.118 5.462 1.00 7.52 O ANISOU 257 O GLN A 19 1350 804 705 22 -318 -153 O ATOM 258 CB GLN A 19 47.917 -2.411 6.728 1.00 8.43 C ANISOU 258 CB GLN A 19 1574 878 751 17 -249 -23 C ATOM 259 CG GLN A 19 48.705 -2.764 7.971 1.00 8.50 C ANISOU 259 CG GLN A 19 1436 916 876 83 -180 -78 C ATOM 260 CD GLN A 19 49.859 -1.810 8.200 1.00 9.12 C ANISOU 260 CD GLN A 19 1397 965 1105 25 -151 -123 C ATOM 261 OE1 GLN A 19 49.699 -0.769 8.821 1.00 9.20 O ANISOU 261 OE1 GLN A 19 1413 929 1153 93 -179 -116 O ATOM 262 NE2 GLN A 19 51.029 -2.158 7.686 1.00 9.39 N ANISOU 262 NE2 GLN A 19 1294 1056 1219 -26 -33 -166 N ATOM 263 H GLN A 19 45.975 -2.621 8.216 1.00 9.67 H ATOM 264 HA GLN A 19 46.307 -3.039 5.628 1.00 9.53 H ATOM 265 HB2 GLN A 19 48.511 -2.505 5.967 1.00 10.12 H ATOM 266 HB3 GLN A 19 47.638 -1.486 6.811 1.00 10.12 H ATOM 267 HG2 GLN A 19 48.119 -2.721 8.743 1.00 10.19 H ATOM 268 HG3 GLN A 19 49.067 -3.659 7.876 1.00 10.19 H ATOM 269 HE21 GLN A 19 51.104 -2.894 7.247 1.00 11.27 H ATOM 270 HE22 GLN A 19 51.714 -1.648 7.790 1.00 11.27 H ATOM 271 N GLY A 20 46.818 -5.507 7.464 1.00 8.14 N ANISOU 271 N GLY A 20 1583 785 724 75 -396 -107 N ATOM 272 CA GLY A 20 47.239 -6.893 7.476 1.00 8.20 C ANISOU 272 CA GLY A 20 1497 840 777 147 -377 -79 C ATOM 273 C GLY A 20 48.750 -7.024 7.553 1.00 9.14 C ANISOU 273 C GLY A 20 1587 942 944 326 -386 -105 C ATOM 274 O GLY A 20 49.443 -6.224 8.193 1.00 9.92 O ANISOU 274 O GLY A 20 1666 1112 993 327 -425 -171 O ATOM 275 H GLY A 20 46.372 -5.260 8.157 1.00 9.77 H ATOM 276 HA2 GLY A 20 46.850 -7.344 8.242 1.00 9.83 H ATOM 277 HA3 GLY A 20 46.931 -7.333 6.669 1.00 9.83 H ATOM 278 N GLN A 21 49.272 -8.050 6.880 1.00 9.97 N ANISOU 278 N GLN A 21 1741 1039 1007 420 -318 -97 N ATOM 279 CA GLN A 21 50.681 -8.398 6.930 1.00 11.88 C ANISOU 279 CA GLN A 21 1928 1303 1282 593 -321 64 C ATOM 280 C GLN A 21 51.498 -7.725 5.841 1.00 12.21 C ANISOU 280 C GLN A 21 1729 1486 1426 604 -243 154 C ATOM 281 O GLN A 21 52.655 -8.081 5.645 1.00 15.06 O ANISOU 281 O GLN A 21 2122 1932 1669 778 -109 421 O ATOM 282 CB GLN A 21 50.834 -9.916 6.854 1.00 15.54 C ANISOU 282 CB GLN A 21 2656 1631 1617 683 -262 189 C ATOM 283 CG GLN A 21 50.181 -10.614 8.019 1.00 19.10 C ANISOU 283 CG GLN A 21 3418 1966 1875 728 -82 306 C ATOM 284 CD GLN A 21 50.773 -10.177 9.352 1.00 22.21 C ANISOU 284 CD GLN A 21 4170 2283 1984 839 93 425 C ATOM 285 OE1 GLN A 21 51.941 -10.445 9.635 0.40 22.31 O ANISOU 285 OE1 GLN A 21 4111 2374 1992 856 -62 457 O ATOM 286 NE2 GLN A 21 49.981 -9.469 10.159 1.00 24.90 N ANISOU 286 NE2 GLN A 21 4929 2474 2056 684 249 485 N ATOM 287 H GLN A 21 48.811 -8.570 6.374 1.00 11.96 H ATOM 288 HA GLN A 21 51.039 -8.110 7.784 1.00 14.25 H ATOM 289 HB2 GLN A 21 50.419 -10.237 6.038 1.00 18.65 H ATOM 290 HB3 GLN A 21 51.778 -10.141 6.858 1.00 18.65 H ATOM 291 HG2 GLN A 21 49.234 -10.404 8.026 1.00 22.93 H ATOM 292 HG3 GLN A 21 50.311 -11.571 7.931 1.00 22.93 H ATOM 293 HE21 GLN A 21 49.178 -9.281 9.917 1.00 29.87 H ATOM 294 HE22 GLN A 21 50.274 -9.201 10.922 1.00 29.87 H ATOM 295 N CYS A 22 50.916 -6.788 5.117 1.00 11.53 N ANISOU 295 N CYS A 22 1688 1208 1483 360 -58 -23 N ATOM 296 CA CYS A 22 51.633 -6.008 4.121 1.00 9.99 C ANISOU 296 CA CYS A 22 1346 1006 1445 185 -74 -88 C ATOM 297 C CYS A 22 52.227 -4.760 4.766 1.00 9.85 C ANISOU 297 C CYS A 22 1394 952 1397 199 -196 -84 C ATOM 298 O CYS A 22 51.570 -4.100 5.570 1.00 11.05 O ANISOU 298 O CYS A 22 1791 1019 1388 322 -20 -158 O ATOM 299 CB CYS A 22 50.627 -5.623 3.038 1.00 9.77 C ANISOU 299 CB CYS A 22 1297 975 1441 121 -185 -230 C ATOM 300 SG CYS A 22 51.188 -4.635 1.664 1.00 10.65 S ANISOU 300 SG CYS A 22 1573 1069 1406 17 -323 -285 S ATOM 301 H CYS A 22 50.084 -6.579 5.185 1.00 13.83 H ATOM 302 HA CYS A 22 52.344 -6.536 3.726 1.00 11.99 H ATOM 303 HB2 CYS A 22 50.266 -6.442 2.665 1.00 11.73 H ATOM 304 HB3 CYS A 22 49.910 -5.128 3.464 1.00 11.73 H ATOM 305 N GLY A 23 53.454 -4.405 4.371 1.00 9.38 N ANISOU 305 N GLY A 23 1370 798 1397 114 -315 -83 N ATOM 306 CA GLY A 23 54.092 -3.188 4.856 1.00 10.09 C ANISOU 306 CA GLY A 23 1581 825 1427 -24 -200 -98 C ATOM 307 C GLY A 23 53.642 -1.966 4.076 1.00 9.97 C ANISOU 307 C GLY A 23 1534 796 1459 -46 -76 -21 C ATOM 308 O GLY A 23 54.452 -1.237 3.493 1.00 11.44 O ANISOU 308 O GLY A 23 1581 928 1838 16 -149 180 O ATOM 309 H GLY A 23 53.936 -4.858 3.821 1.00 11.26 H ATOM 310 HA2 GLY A 23 53.871 -3.056 5.791 1.00 12.11 H ATOM 311 HA3 GLY A 23 55.054 -3.271 4.773 1.00 12.11 H ATOM 312 N SER A 24 52.334 -1.751 4.057 1.00 8.30 N ANISOU 312 N SER A 24 1326 727 1102 72 -169 -120 N ATOM 313 CA SER A 24 51.681 -0.729 3.253 1.00 7.34 C ANISOU 313 CA SER A 24 1235 736 818 149 -508 -65 C ATOM 314 C SER A 24 51.172 0.448 4.085 1.00 6.62 C ANISOU 314 C SER A 24 1070 728 719 -41 -482 -74 C ATOM 315 O SER A 24 50.321 1.213 3.620 1.00 7.21 O ANISOU 315 O SER A 24 1266 732 740 -24 -509 -94 O ATOM 316 CB SER A 24 50.501 -1.367 2.524 1.00 7.71 C ANISOU 316 CB SER A 24 1303 794 832 147 -435 -169 C ATOM 317 OG SER A 24 49.735 -2.052 3.487 1.00 8.94 O ANISOU 317 OG SER A 24 1426 1002 968 -46 -409 -131 O ATOM 318 H SER A 24 51.778 -2.208 4.527 1.00 9.96 H ATOM 319 HA SER A 24 52.305 -0.391 2.592 1.00 8.81 H ATOM 320 HB2 SER A 24 49.962 -0.676 2.108 1.00 9.25 H ATOM 321 HB3 SER A 24 50.828 -1.994 1.860 1.00 9.25 H ATOM 322 HG SER A 24 49.073 -2.417 3.120 1.00 10.73 H ATOM 323 N CYS A 25 51.687 0.640 5.301 1.00 6.62 N ANISOU 323 N CYS A 25 988 808 718 124 -473 -127 N ATOM 324 CA CYS A 25 51.204 1.730 6.139 1.00 7.55 C ANISOU 324 CA CYS A 25 1254 796 817 8 -401 -89 C ATOM 325 C CYS A 25 51.365 3.082 5.459 1.00 5.78 C ANISOU 325 C CYS A 25 889 694 614 90 -415 -72 C ATOM 326 O CYS A 25 50.550 3.976 5.689 1.00 6.59 O ANISOU 326 O CYS A 25 1128 817 560 264 -194 -109 O ATOM 327 CB CYS A 25 51.935 1.707 7.469 1.00 9.23 C ANISOU 327 CB CYS A 25 1538 898 1072 35 -517 -137 C ATOM 328 SG CYS A 25 53.727 1.848 7.319 1.00 10.97 S ANISOU 328 SG CYS A 25 1820 1032 1316 275 -865 -290 S ATOM 329 H CYS A 25 52.306 0.161 5.656 1.00 7.94 H ATOM 330 HA CYS A 25 50.260 1.596 6.315 1.00 9.05 H ATOM 331 HB2 CYS A 25 51.624 2.449 8.010 1.00 11.08 H ATOM 332 HB3 CYS A 25 51.741 0.869 7.918 1.00 11.08 H ATOM 333 HG CYS A 25 54.138 0.929 6.665 1.00 13.16 H ATOM 334 N TRP A 26 52.414 3.251 4.647 1.00 5.53 N ANISOU 334 N TRP A 26 811 669 620 -30 -410 18 N ATOM 335 CA TRP A 26 52.592 4.491 3.894 1.00 5.58 C ANISOU 335 CA TRP A 26 781 696 645 14 -251 -12 C ATOM 336 C TRP A 26 51.369 4.797 3.039 1.00 6.35 C ANISOU 336 C TRP A 26 1039 740 633 69 -338 -20 C ATOM 337 O TRP A 26 50.977 5.959 2.891 1.00 6.53 O ANISOU 337 O TRP A 26 1033 773 675 90 -434 -101 O ATOM 338 CB TRP A 26 53.862 4.393 3.040 1.00 6.54 C ANISOU 338 CB TRP A 26 974 779 732 -208 -19 -175 C ATOM 339 CG TRP A 26 53.830 3.250 2.049 1.00 5.99 C ANISOU 339 CG TRP A 26 774 715 788 -92 -187 -135 C ATOM 340 CD1 TRP A 26 54.164 1.952 2.288 1.00 7.47 C ANISOU 340 CD1 TRP A 26 1107 833 898 103 -131 -144 C ATOM 341 CD2 TRP A 26 53.394 3.308 0.679 1.00 6.62 C ANISOU 341 CD2 TRP A 26 954 742 818 -47 -247 -129 C ATOM 342 NE1 TRP A 26 53.978 1.198 1.152 1.00 7.86 N ANISOU 342 NE1 TRP A 26 1287 816 883 39 -216 -185 N ATOM 343 CE2 TRP A 26 53.505 2.008 0.152 1.00 7.31 C ANISOU 343 CE2 TRP A 26 1110 834 834 -108 -198 -230 C ATOM 344 CE3 TRP A 26 52.912 4.334 -0.146 1.00 7.05 C ANISOU 344 CE3 TRP A 26 1041 818 818 -114 -243 -17 C ATOM 345 CZ2 TRP A 26 53.164 1.704 -1.177 1.00 8.32 C ANISOU 345 CZ2 TRP A 26 1372 910 880 -105 -190 -223 C ATOM 346 CZ3 TRP A 26 52.589 4.038 -1.458 1.00 7.70 C ANISOU 346 CZ3 TRP A 26 1154 894 879 -160 -236 -36 C ATOM 347 CH2 TRP A 26 52.727 2.731 -1.963 1.00 7.94 C ANISOU 347 CH2 TRP A 26 1235 903 877 -125 -88 -101 C ATOM 348 N ALA A 27 50.770 3.763 2.455 1.00 6.00 N ANISOU 348 N ALA A 27 990 715 576 4 -365 -62 N ATOM 349 CA ALA A 27 49.585 3.951 1.628 1.00 5.40 C ANISOU 349 CA ALA A 27 835 763 454 -83 -317 -21 C ATOM 350 C ALA A 27 48.352 4.230 2.474 1.00 5.30 C ANISOU 350 C ALA A 27 848 710 456 -112 -301 -59 C ATOM 351 O ALA A 27 47.518 5.052 2.099 1.00 5.70 O ANISOU 351 O ALA A 27 921 762 482 -84 -342 -12 O ATOM 352 CB ALA A 27 49.356 2.728 0.735 1.00 7.02 C ANISOU 352 CB ALA A 27 1155 911 602 -101 -405 -105 C ATOM 353 H ALA A 27 51.029 2.946 2.522 1.00 7.20 H ATOM 354 HA ALA A 27 49.727 4.717 1.050 1.00 6.48 H ATOM 355 HB1 ALA A 27 48.564 2.876 0.195 1.00 8.43 H ATOM 356 HB2 ALA A 27 50.130 2.607 0.162 1.00 8.43 H ATOM 357 HB3 ALA A 27 49.234 1.947 1.296 1.00 8.43 H ATOM 358 N PHE A 28 48.197 3.539 3.608 1.00 5.26 N ANISOU 358 N PHE A 28 875 713 409 -38 -293 50 N ATOM 359 CA PHE A 28 47.081 3.833 4.497 1.00 5.40 C ANISOU 359 CA PHE A 28 956 700 395 -72 -266 87 C ATOM 360 C PHE A 28 47.154 5.254 5.037 1.00 5.87 C ANISOU 360 C PHE A 28 1151 662 416 -12 -225 32 C ATOM 361 O PHE A 28 46.133 5.942 5.133 1.00 5.52 O ANISOU 361 O PHE A 28 911 737 451 8 -221 26 O ATOM 362 CB PHE A 28 46.988 2.797 5.623 1.00 6.09 C ANISOU 362 CB PHE A 28 1151 678 484 -143 -230 179 C ATOM 363 CG PHE A 28 46.406 1.499 5.141 1.00 5.91 C ANISOU 363 CG PHE A 28 1008 629 610 -115 -230 83 C ATOM 364 CD1 PHE A 28 47.207 0.570 4.497 1.00 7.40 C ANISOU 364 CD1 PHE A 28 1461 601 751 -100 -113 82 C ATOM 365 CD2 PHE A 28 45.051 1.238 5.253 1.00 6.84 C ANISOU 365 CD2 PHE A 28 1167 737 696 -132 -134 -14 C ATOM 366 CE1 PHE A 28 46.668 -0.600 3.998 1.00 7.85 C ANISOU 366 CE1 PHE A 28 1562 640 779 -56 -3 63 C ATOM 367 CE2 PHE A 28 44.518 0.081 4.735 1.00 6.82 C ANISOU 367 CE2 PHE A 28 1071 783 738 -149 -104 -9 C ATOM 368 CZ PHE A 28 45.332 -0.831 4.107 1.00 7.42 C ANISOU 368 CZ PHE A 28 1357 729 734 -118 19 30 C ATOM 369 H PHE A 28 48.716 2.909 3.878 1.00 6.31 H ATOM 370 HA PHE A 28 46.262 3.767 3.982 1.00 6.48 H ATOM 371 HB2 PHE A 28 47.877 2.621 5.968 1.00 7.31 H ATOM 372 HB3 PHE A 28 46.418 3.142 6.327 1.00 7.31 H ATOM 373 HD1 PHE A 28 48.117 0.734 4.401 1.00 8.88 H ATOM 374 HD2 PHE A 28 44.493 1.863 5.657 1.00 8.21 H ATOM 375 HE1 PHE A 28 47.216 -1.221 3.575 1.00 9.41 H ATOM 376 HE2 PHE A 28 43.609 -0.093 4.825 1.00 8.19 H ATOM 377 HZ PHE A 28 44.975 -1.628 3.788 1.00 8.91 H ATOM 378 N SER A 29 48.353 5.715 5.394 1.00 5.16 N ANISOU 378 N SER A 29 850 593 519 93 -185 -14 N ATOM 379 CA SER A 29 48.526 7.084 5.872 1.00 5.08 C ANISOU 379 CA SER A 29 812 618 502 30 -219 -17 C ATOM 380 C SER A 29 48.175 8.090 4.786 1.00 5.10 C ANISOU 380 C SER A 29 745 690 501 123 -315 -68 C ATOM 381 O SER A 29 47.387 9.016 5.010 1.00 5.78 O ANISOU 381 O SER A 29 747 818 630 88 -394 -31 O ATOM 382 CB SER A 29 49.966 7.250 6.339 1.00 5.74 C ANISOU 382 CB SER A 29 1011 623 548 -4 -346 -39 C ATOM 383 OG SER A 29 50.297 8.577 6.673 1.00 5.49 O ANISOU 383 OG SER A 29 952 573 560 -25 -185 -48 O ATOM 384 H SER A 29 49.080 5.256 5.369 1.00 6.20 H ATOM 385 HA SER A 29 47.940 7.236 6.629 1.00 6.10 H ATOM 386 HB2 SER A 29 50.102 6.693 7.122 1.00 6.89 H ATOM 387 HB3 SER A 29 50.556 6.956 5.627 1.00 6.89 H ATOM 388 HG SER A 29 49.802 8.848 7.295 1.00 6.58 H ATOM 389 N ALA A 30 48.725 7.901 3.586 1.00 5.13 N ANISOU 389 N ALA A 30 810 665 473 120 -227 -62 N ATOM 390 CA ALA A 30 48.462 8.831 2.492 1.00 5.28 C ANISOU 390 CA ALA A 30 802 718 486 86 -269 -10 C ATOM 391 C ALA A 30 46.983 8.852 2.120 1.00 5.95 C ANISOU 391 C ALA A 30 1062 739 458 22 -220 15 C ATOM 392 O ALA A 30 46.376 9.919 1.975 1.00 5.98 O ANISOU 392 O ALA A 30 1041 773 458 -68 -284 -25 O ATOM 393 CB ALA A 30 49.332 8.426 1.298 1.00 5.97 C ANISOU 393 CB ALA A 30 956 783 531 207 -189 -8 C ATOM 394 H ALA A 30 49.248 7.249 3.383 1.00 6.15 H ATOM 395 HA ALA A 30 48.718 9.725 2.765 1.00 6.34 H ATOM 396 HB1 ALA A 30 49.165 9.038 0.564 1.00 7.17 H ATOM 397 HB2 ALA A 30 50.265 8.469 1.559 1.00 7.17 H ATOM 398 HB3 ALA A 30 49.104 7.522 1.033 1.00 7.17 H ATOM 399 N ILE A 31 46.381 7.674 1.964 1.00 6.11 N ANISOU 399 N ILE A 31 1157 691 474 169 -321 -25 N ATOM 400 CA ILE A 31 44.984 7.612 1.552 1.00 6.36 C ANISOU 400 CA ILE A 31 1140 769 508 247 -327 -25 C ATOM 401 C ILE A 31 44.073 8.154 2.637 1.00 6.12 C ANISOU 401 C ILE A 31 1108 677 542 -20 -383 -8 C ATOM 402 O ILE A 31 43.101 8.855 2.343 1.00 5.59 O ANISOU 402 O ILE A 31 812 681 631 87 -373 -89 O ATOM 403 CB ILE A 31 44.610 6.176 1.169 1.00 7.54 C ANISOU 403 CB ILE A 31 1337 887 639 224 -378 -141 C ATOM 404 CG1 ILE A 31 45.306 5.743 -0.132 1.00 7.64 C ANISOU 404 CG1 ILE A 31 1198 1022 683 258 -447 -213 C ATOM 405 CG2 ILE A 31 43.087 6.008 1.050 1.00 8.64 C ANISOU 405 CG2 ILE A 31 1518 944 821 60 -472 -117 C ATOM 406 CD1 ILE A 31 44.886 6.499 -1.370 1.00 9.88 C ANISOU 406 CD1 ILE A 31 1735 1210 810 465 -349 -188 C ATOM 407 H ILE A 31 46.753 6.909 2.089 1.00 7.33 H ATOM 408 HA ILE A 31 44.866 8.167 0.765 1.00 7.63 H ATOM 409 HB ILE A 31 44.918 5.591 1.878 1.00 9.04 H ATOM 410 HG12 ILE A 31 46.262 5.866 -0.025 1.00 9.17 H ATOM 411 HG13 ILE A 31 45.116 4.804 -0.285 1.00 9.17 H ATOM 412 HG21 ILE A 31 42.888 5.090 0.807 1.00 10.37 H ATOM 413 HG22 ILE A 31 42.678 6.220 1.904 1.00 10.37 H ATOM 414 HG23 ILE A 31 42.756 6.610 0.365 1.00 10.37 H ATOM 415 HD11 ILE A 31 45.377 6.155 -2.132 1.00 11.86 H ATOM 416 HD12 ILE A 31 43.933 6.375 -1.507 1.00 11.86 H ATOM 417 HD13 ILE A 31 45.083 7.440 -1.246 1.00 11.86 H ATOM 418 N GLY A 32 44.350 7.834 3.900 1.00 5.60 N ANISOU 418 N GLY A 32 1016 591 521 53 -378 -5 N ATOM 419 CA GLY A 32 43.536 8.386 4.963 1.00 5.22 C ANISOU 419 CA GLY A 32 822 617 545 -13 -224 30 C ATOM 420 C GLY A 32 43.556 9.896 4.938 1.00 4.96 C ANISOU 420 C GLY A 32 685 717 484 96 -311 36 C ATOM 421 O GLY A 32 42.530 10.552 5.126 1.00 5.74 O ANISOU 421 O GLY A 32 929 813 440 96 -251 -59 O ATOM 422 H GLY A 32 44.986 7.315 4.157 1.00 6.72 H ATOM 423 HA2 GLY A 32 42.620 8.085 4.863 1.00 6.27 H ATOM 424 HA3 GLY A 32 43.871 8.084 5.822 1.00 6.27 H ATOM 425 N ASN A 33 44.735 10.472 4.701 1.00 4.62 N ANISOU 425 N ASN A 33 569 725 462 106 -270 60 N ATOM 426 CA ASN A 33 44.835 11.918 4.569 1.00 5.50 C ANISOU 426 CA ASN A 33 981 690 417 179 -269 -3 C ATOM 427 C ASN A 33 44.014 12.428 3.389 1.00 5.22 C ANISOU 427 C ASN A 33 881 689 413 193 -249 -39 C ATOM 428 O ASN A 33 43.289 13.421 3.514 1.00 5.76 O ANISOU 428 O ASN A 33 987 770 430 128 -291 -98 O ATOM 429 CB ASN A 33 46.303 12.325 4.443 1.00 5.98 C ANISOU 429 CB ASN A 33 1136 686 452 -47 -183 12 C ATOM 430 CG ASN A 33 46.472 13.735 3.964 1.00 6.13 C ANISOU 430 CG ASN A 33 990 803 537 -31 -246 -25 C ATOM 431 OD1 ASN A 33 46.655 13.960 2.780 1.00 6.45 O ANISOU 431 OD1 ASN A 33 1210 762 480 10 -181 67 O ATOM 432 ND2 ASN A 33 46.354 14.697 4.867 1.00 6.91 N ANISOU 432 ND2 ASN A 33 1132 923 569 11 -365 -71 N ATOM 433 H ASN A 33 45.480 10.051 4.613 1.00 5.55 H ATOM 434 HA ASN A 33 44.483 12.329 5.373 1.00 6.59 H ATOM 435 HB2 ASN A 33 46.728 12.249 5.311 1.00 7.18 H ATOM 436 HB3 ASN A 33 46.740 11.737 3.807 1.00 7.18 H ATOM 437 HD21 ASN A 33 46.444 15.520 4.633 1.00 8.29 H ATOM 438 HD22 ASN A 33 46.187 14.499 5.687 1.00 8.29 H ATOM 439 N VAL A 34 44.121 11.771 2.223 1.00 5.17 N ANISOU 439 N VAL A 34 897 702 367 179 -226 -5 N ATOM 440 CA VAL A 34 43.326 12.196 1.064 1.00 5.69 C ANISOU 440 CA VAL A 34 1117 698 348 239 -132 -1 C ATOM 441 C VAL A 34 41.840 12.128 1.377 1.00 5.69 C ANISOU 441 C VAL A 34 1127 680 354 36 -200 -14 C ATOM 442 O VAL A 34 41.072 13.020 1.012 1.00 6.07 O ANISOU 442 O VAL A 34 1132 714 461 103 -262 51 O ATOM 443 CB VAL A 34 43.673 11.371 -0.187 1.00 6.47 C ANISOU 443 CB VAL A 34 1333 735 391 146 -143 47 C ATOM 444 CG1 VAL A 34 42.732 11.744 -1.337 1.00 7.34 C ANISOU 444 CG1 VAL A 34 1429 850 510 7 -340 36 C ATOM 445 CG2 VAL A 34 45.120 11.575 -0.604 1.00 5.98 C ANISOU 445 CG2 VAL A 34 1185 757 330 125 -72 49 C ATOM 446 H VAL A 34 44.632 11.095 2.081 1.00 6.21 H ATOM 447 HA VAL A 34 43.539 13.122 0.869 1.00 6.83 H ATOM 448 HB VAL A 34 43.548 10.429 0.010 1.00 7.77 H ATOM 449 HG11 VAL A 34 42.963 11.217 -2.118 1.00 8.81 H ATOM 450 HG12 VAL A 34 41.818 11.558 -1.070 1.00 8.81 H ATOM 451 HG13 VAL A 34 42.834 12.689 -1.534 1.00 8.81 H ATOM 452 HG21 VAL A 34 45.299 11.040 -1.393 1.00 7.18 H ATOM 453 HG22 VAL A 34 45.262 12.514 -0.801 1.00 7.18 H ATOM 454 HG23 VAL A 34 45.699 11.297 0.123 1.00 7.18 H ATOM 455 N GLU A 35 41.401 11.033 1.994 1.00 5.38 N ANISOU 455 N GLU A 35 977 690 376 -90 -253 30 N ATOM 456 CA GLU A 35 39.990 10.870 2.307 1.00 5.14 C ANISOU 456 CA GLU A 35 762 788 402 71 -281 -18 C ATOM 457 C GLU A 35 39.478 12.063 3.100 1.00 5.61 C ANISOU 457 C GLU A 35 891 819 422 48 -296 -49 C ATOM 458 O GLU A 35 38.403 12.609 2.820 1.00 6.45 O ANISOU 458 O GLU A 35 979 936 534 114 -335 -101 O ATOM 459 CB GLU A 35 39.780 9.583 3.110 1.00 6.15 C ANISOU 459 CB GLU A 35 1028 854 453 -88 -310 -59 C ATOM 460 CG GLU A 35 39.981 8.319 2.313 1.00 6.53 C ANISOU 460 CG GLU A 35 1124 882 476 -75 -322 -79 C ATOM 461 CD GLU A 35 39.963 7.063 3.154 1.00 6.65 C ANISOU 461 CD GLU A 35 1129 914 484 -104 -301 -127 C ATOM 462 OE1 GLU A 35 40.211 7.123 4.391 1.00 7.02 O ANISOU 462 OE1 GLU A 35 1247 985 437 -47 -173 -122 O ATOM 463 OE2 GLU A 35 39.704 5.998 2.554 1.00 7.62 O ANISOU 463 OE2 GLU A 35 1353 860 681 -90 -433 -12 O ATOM 464 H GLU A 35 41.898 10.377 2.241 1.00 6.45 H ATOM 465 HA GLU A 35 39.481 10.805 1.484 1.00 6.16 H ATOM 466 HB2 GLU A 35 40.410 9.571 3.848 1.00 7.37 H ATOM 467 HB3 GLU A 35 38.873 9.575 3.454 1.00 7.37 H ATOM 468 HG2 GLU A 35 39.271 8.247 1.656 1.00 7.84 H ATOM 469 HG3 GLU A 35 40.840 8.364 1.865 1.00 7.84 H ATOM 470 N CYS A 36 40.243 12.481 4.106 1.00 5.15 N ANISOU 470 N CYS A 36 736 823 396 63 -276 -8 N ATOM 471 CA CYS A 36 39.835 13.599 4.953 1.00 5.50 C ANISOU 471 CA CYS A 36 854 846 390 141 -253 -74 C ATOM 472 C CYS A 36 39.863 14.917 4.183 1.00 6.12 C ANISOU 472 C CYS A 36 1064 859 401 201 -225 -117 C ATOM 473 O CYS A 36 38.945 15.734 4.309 1.00 7.26 O ANISOU 473 O CYS A 36 1313 861 586 287 -390 -69 O ATOM 474 CB CYS A 36 40.741 13.691 6.178 1.00 6.32 C ANISOU 474 CB CYS A 36 1045 936 420 109 -278 -74 C ATOM 475 SG CYS A 36 40.726 12.239 7.239 1.00 7.38 S ANISOU 475 SG CYS A 36 1283 996 526 81 -279 -86 S ATOM 476 H CYS A 36 41.002 12.136 4.319 1.00 6.17 H ATOM 477 HA CYS A 36 38.927 13.449 5.260 1.00 6.60 H ATOM 478 HB2 CYS A 36 41.654 13.824 5.878 1.00 7.58 H ATOM 479 HB3 CYS A 36 40.461 14.449 6.714 1.00 7.58 H ATOM 480 HG CYS A 36 41.088 11.287 6.604 1.00 8.86 H ATOM 481 N GLN A 37 40.914 15.152 3.397 1.00 5.40 N ANISOU 481 N GLN A 37 838 809 405 95 -280 -49 N ATOM 482 CA GLN A 37 41.012 16.397 2.644 1.00 6.67 C ANISOU 482 CA GLN A 37 1236 861 436 78 -159 -2 C ATOM 483 C GLN A 37 39.895 16.502 1.608 1.00 6.63 C ANISOU 483 C GLN A 37 1154 854 512 96 -342 86 C ATOM 484 O GLN A 37 39.371 17.598 1.353 1.00 7.05 O ANISOU 484 O GLN A 37 1232 877 568 101 -320 137 O ATOM 485 CB GLN A 37 42.386 16.486 1.974 1.00 7.29 C ANISOU 485 CB GLN A 37 1490 820 460 -182 -88 -128 C ATOM 486 CG GLN A 37 43.545 16.672 2.947 1.00 7.80 C ANISOU 486 CG GLN A 37 1369 918 676 15 -235 -196 C ATOM 487 CD GLN A 37 43.398 17.913 3.801 1.00 8.71 C ANISOU 487 CD GLN A 37 1519 987 803 105 -357 -273 C ATOM 488 OE1 GLN A 37 43.061 18.970 3.292 1.00 9.47 O ANISOU 488 OE1 GLN A 37 1615 1013 971 164 -578 -298 O ATOM 489 NE2 GLN A 37 43.616 17.782 5.108 1.00 9.91 N ANISOU 489 NE2 GLN A 37 2027 1007 731 67 10 -288 N ATOM 490 H GLN A 37 41.575 14.614 3.285 1.00 6.48 H ATOM 491 HA GLN A 37 40.926 17.145 3.255 1.00 8.00 H ATOM 492 HB2 GLN A 37 42.544 15.666 1.480 1.00 8.75 H ATOM 493 HB3 GLN A 37 42.387 17.241 1.366 1.00 8.75 H ATOM 494 HG2 GLN A 37 43.589 15.904 3.538 1.00 9.36 H ATOM 495 HG3 GLN A 37 44.370 16.751 2.443 1.00 9.36 H ATOM 496 HE21 GLN A 37 43.831 17.015 5.433 1.00 11.89 H ATOM 497 HE22 GLN A 37 43.543 18.463 5.627 1.00 11.89 H ATOM 498 N TRP A 38 39.531 15.371 0.990 1.00 5.82 N ANISOU 498 N TRP A 38 785 929 499 13 -348 12 N ATOM 499 CA TRP A 38 38.457 15.342 0.001 1.00 6.06 C ANISOU 499 CA TRP A 38 836 946 519 147 -340 -34 C ATOM 500 C TRP A 38 37.133 15.722 0.657 1.00 6.96 C ANISOU 500 C TRP A 38 1124 974 548 151 -384 -42 C ATOM 501 O TRP A 38 36.381 16.564 0.145 1.00 7.27 O ANISOU 501 O TRP A 38 1100 979 683 173 -467 -46 O ATOM 502 CB TRP A 38 38.390 13.931 -0.590 1.00 7.12 C ANISOU 502 CB TRP A 38 1058 1060 586 97 -411 -88 C ATOM 503 CG TRP A 38 37.353 13.770 -1.641 1.00 7.30 C ANISOU 503 CG TRP A 38 1176 1061 535 156 -278 -103 C ATOM 504 CD1 TRP A 38 36.215 13.033 -1.552 1.00 7.04 C ANISOU 504 CD1 TRP A 38 972 1118 584 252 -327 -132 C ATOM 505 CD2 TRP A 38 37.358 14.350 -2.955 1.00 7.13 C ANISOU 505 CD2 TRP A 38 1134 1043 532 107 -376 -71 C ATOM 506 NE1 TRP A 38 35.504 13.106 -2.731 1.00 7.50 N ANISOU 506 NE1 TRP A 38 1112 1165 572 79 -388 -139 N ATOM 507 CE2 TRP A 38 36.178 13.917 -3.607 1.00 7.45 C ANISOU 507 CE2 TRP A 38 1216 1070 545 168 -364 -134 C ATOM 508 CE3 TRP A 38 38.235 15.198 -3.640 1.00 7.74 C ANISOU 508 CE3 TRP A 38 1290 1033 616 261 -403 -29 C ATOM 509 CZ2 TRP A 38 35.854 14.303 -4.918 1.00 7.85 C ANISOU 509 CZ2 TRP A 38 1265 1119 599 105 -416 -137 C ATOM 510 CZ3 TRP A 38 37.908 15.583 -4.949 1.00 8.22 C ANISOU 510 CZ3 TRP A 38 1387 1060 676 355 -431 -47 C ATOM 511 CH2 TRP A 38 36.731 15.130 -5.570 1.00 8.43 C ANISOU 511 CH2 TRP A 38 1406 1134 664 241 -415 -49 C ATOM 512 N PHE A 39 36.842 15.121 1.813 1.00 7.28 N ANISOU 512 N PHE A 39 1134 1112 521 61 -319 20 N ATOM 513 CA PHE A 39 35.645 15.490 2.566 1.00 7.22 C ANISOU 513 CA PHE A 39 967 1209 567 178 -296 -31 C ATOM 514 C PHE A 39 35.654 16.974 2.929 1.00 8.19 C ANISOU 514 C PHE A 39 1272 1212 629 386 -270 -35 C ATOM 515 O PHE A 39 34.647 17.675 2.769 1.00 9.03 O ANISOU 515 O PHE A 39 1404 1225 801 431 -283 -86 O ATOM 516 CB PHE A 39 35.522 14.623 3.821 1.00 8.24 C ANISOU 516 CB PHE A 39 1124 1336 669 168 -336 -124 C ATOM 517 CG PHE A 39 34.457 15.089 4.757 1.00 8.64 C ANISOU 517 CG PHE A 39 1030 1483 770 273 -271 -144 C ATOM 518 CD1 PHE A 39 34.763 15.895 5.844 1.00 8.45 C ANISOU 518 CD1 PHE A 39 1004 1504 704 541 -236 -77 C ATOM 519 CD2 PHE A 39 33.139 14.748 4.532 1.00 9.96 C ANISOU 519 CD2 PHE A 39 1133 1737 915 204 -210 -223 C ATOM 520 CE1 PHE A 39 33.768 16.328 6.699 1.00 9.97 C ANISOU 520 CE1 PHE A 39 1365 1705 719 453 -183 -89 C ATOM 521 CE2 PHE A 39 32.140 15.185 5.381 1.00 11.27 C ANISOU 521 CE2 PHE A 39 1366 1911 1004 241 -139 -175 C ATOM 522 CZ PHE A 39 32.463 15.965 6.475 1.00 11.25 C ANISOU 522 CZ PHE A 39 1519 1894 862 366 -66 -113 C ATOM 523 H PHE A 39 37.316 14.504 2.179 1.00 8.74 H ATOM 524 HA PHE A 39 34.865 15.325 2.013 1.00 8.66 H ATOM 525 HB2 PHE A 39 35.310 13.714 3.555 1.00 9.88 H ATOM 526 HB3 PHE A 39 36.367 14.639 4.298 1.00 9.88 H ATOM 527 HD1 PHE A 39 35.647 16.134 6.006 1.00 10.14 H ATOM 528 HD2 PHE A 39 32.921 14.214 3.803 1.00 11.95 H ATOM 529 HE1 PHE A 39 33.983 16.860 7.432 1.00 11.97 H ATOM 530 HE2 PHE A 39 31.256 14.940 5.227 1.00 13.52 H ATOM 531 HZ PHE A 39 31.793 16.264 7.047 1.00 13.50 H ATOM 532 N LEU A 40 36.790 17.476 3.412 1.00 8.34 N ANISOU 532 N LEU A 40 1394 1141 632 354 -316 -120 N ATOM 533 CA LEU A 40 36.834 18.849 3.895 1.00 8.83 C ANISOU 533 CA LEU A 40 1475 1169 711 426 -344 -144 C ATOM 534 C LEU A 40 36.728 19.862 2.770 1.00 9.67 C ANISOU 534 C LEU A 40 1673 1159 842 580 -355 -72 C ATOM 535 O LEU A 40 36.351 21.008 3.025 1.00 11.05 O ANISOU 535 O LEU A 40 2076 1225 896 623 -258 -109 O ATOM 536 CB LEU A 40 38.097 19.078 4.731 1.00 8.19 C ANISOU 536 CB LEU A 40 1192 1230 689 382 -390 -142 C ATOM 537 CG LEU A 40 38.102 18.314 6.060 1.00 8.37 C ANISOU 537 CG LEU A 40 1233 1231 715 420 -431 -176 C ATOM 538 CD1 LEU A 40 39.436 18.464 6.774 1.00 9.54 C ANISOU 538 CD1 LEU A 40 1609 1264 751 442 -475 -235 C ATOM 539 CD2 LEU A 40 36.985 18.772 6.992 1.00 8.65 C ANISOU 539 CD2 LEU A 40 1168 1370 748 284 -453 -192 C ATOM 540 H LEU A 40 37.534 17.050 3.468 1.00 10.00 H ATOM 541 HA LEU A 40 36.073 18.989 4.480 1.00 10.60 H ATOM 542 HB2 LEU A 40 38.868 18.789 4.219 1.00 9.83 H ATOM 543 HB3 LEU A 40 38.171 20.024 4.932 1.00 9.83 H ATOM 544 HG LEU A 40 37.968 17.370 5.879 1.00 10.04 H ATOM 545 HD11 LEU A 40 39.405 17.970 7.608 1.00 11.45 H ATOM 546 HD12 LEU A 40 40.139 18.112 6.206 1.00 11.45 H ATOM 547 HD13 LEU A 40 39.594 19.405 6.952 1.00 11.45 H ATOM 548 HD21 LEU A 40 37.031 18.261 7.815 1.00 10.38 H ATOM 549 HD22 LEU A 40 37.100 19.716 7.182 1.00 10.38 H ATOM 550 HD23 LEU A 40 36.130 18.624 6.557 1.00 10.38 H ATOM 551 N ALA A 41 36.991 19.453 1.536 1.00 10.24 N ANISOU 551 N ALA A 41 1824 1159 906 577 -371 28 N ATOM 552 CA ALA A 41 36.789 20.287 0.362 1.00 11.12 C ANISOU 552 CA ALA A 41 1895 1306 1025 559 -376 95 C ATOM 553 C ALA A 41 35.329 20.369 -0.057 1.00 11.98 C ANISOU 553 C ALA A 41 1835 1559 1159 718 -433 178 C ATOM 554 O ALA A 41 35.014 21.074 -1.028 1.00 13.61 O ANISOU 554 O ALA A 41 2032 1782 1358 730 -432 395 O ATOM 555 CB ALA A 41 37.597 19.722 -0.801 1.00 10.78 C ANISOU 555 CB ALA A 41 1743 1316 1036 508 -405 47 C ATOM 556 H ALA A 41 37.298 18.671 1.349 1.00 12.28 H ATOM 557 HA ALA A 41 37.105 21.185 0.547 1.00 13.35 H ATOM 558 HB1 ALA A 41 37.460 20.280 -1.581 1.00 12.93 H ATOM 559 HB2 ALA A 41 38.536 19.716 -0.558 1.00 12.93 H ATOM 560 HB3 ALA A 41 37.297 18.817 -0.983 1.00 12.93 H ATOM 561 N GLY A 42 34.446 19.654 0.621 1.00 12.07 N ANISOU 561 N GLY A 42 1786 1610 1189 685 -581 24 N ATOM 562 CA GLY A 42 33.029 19.726 0.362 1.00 13.56 C ANISOU 562 CA GLY A 42 2021 1741 1392 666 -631 -131 C ATOM 563 C GLY A 42 32.464 18.574 -0.436 1.00 15.15 C ANISOU 563 C GLY A 42 2332 1837 1587 626 -884 -277 C ATOM 564 O GLY A 42 31.502 18.772 -1.180 1.00 18.59 O ANISOU 564 O GLY A 42 2895 2116 2052 682 -1211 -262 O ATOM 565 H GLY A 42 34.654 19.107 1.251 1.00 14.48 H ATOM 566 HA2 GLY A 42 32.557 19.762 1.209 1.00 16.28 H ATOM 567 HA3 GLY A 42 32.840 20.545 -0.121 1.00 16.28 H ATOM 568 N HIS A 43 33.028 17.388 -0.319 1.00 12.81 N ANISOU 568 N HIS A 43 1790 1674 1404 674 -814 -396 N ATOM 569 CA HIS A 43 32.580 16.201 -1.025 1.00 12.22 C ANISOU 569 CA HIS A 43 1523 1767 1352 696 -692 -412 C ATOM 570 C HIS A 43 32.156 15.160 -0.003 1.00 12.41 C ANISOU 570 C HIS A 43 1570 1738 1408 582 -752 -327 C ATOM 571 O HIS A 43 32.579 15.211 1.158 1.00 11.91 O ANISOU 571 O HIS A 43 1433 1720 1374 374 -765 -364 O ATOM 572 CB HIS A 43 33.717 15.631 -1.887 1.00 12.80 C ANISOU 572 CB HIS A 43 1514 2024 1326 840 -571 -388 C ATOM 573 CG HIS A 43 34.239 16.603 -2.896 1.00 14.60 C ANISOU 573 CG HIS A 43 2085 2209 1253 918 -634 -321 C ATOM 574 ND1 HIS A 43 33.603 16.843 -4.098 1.00 15.78 N ANISOU 574 ND1 HIS A 43 2407 2329 1258 763 -771 -242 N ATOM 575 CD2 HIS A 43 35.329 17.405 -2.878 1.00 15.20 C ANISOU 575 CD2 HIS A 43 2211 2274 1292 969 -378 -304 C ATOM 576 CE1 HIS A 43 34.283 17.754 -4.770 1.00 16.43 C ANISOU 576 CE1 HIS A 43 2574 2376 1291 736 -708 -219 C ATOM 577 NE2 HIS A 43 35.329 18.117 -4.052 1.00 15.99 N ANISOU 577 NE2 HIS A 43 2411 2344 1322 828 -451 -259 N ATOM 578 N PRO A 44 31.330 14.198 -0.391 1.00 13.19 N ANISOU 578 N PRO A 44 1657 1902 1453 376 -864 -262 N ATOM 579 CA PRO A 44 30.931 13.156 0.559 1.00 12.38 C ANISOU 579 CA PRO A 44 1429 1777 1496 267 -684 -247 C ATOM 580 C PRO A 44 32.138 12.350 1.013 1.00 10.98 C ANISOU 580 C PRO A 44 1242 1549 1382 339 -549 -242 C ATOM 581 O PRO A 44 33.058 12.084 0.239 1.00 11.38 O ANISOU 581 O PRO A 44 1390 1484 1451 310 -507 -66 O ATOM 582 CB PRO A 44 29.938 12.302 -0.239 1.00 13.72 C ANISOU 582 CB PRO A 44 1661 1965 1588 209 -757 -185 C ATOM 583 CG PRO A 44 29.525 13.154 -1.373 1.00 15.57 C ANISOU 583 CG PRO A 44 2239 2082 1594 136 -817 -199 C ATOM 584 CD PRO A 44 30.692 14.019 -1.699 1.00 14.33 C ANISOU 584 CD PRO A 44 1850 2067 1526 271 -957 -234 C ATOM 585 HA PRO A 44 30.486 13.545 1.329 1.00 14.85 H ATOM 586 HB2 PRO A 44 30.379 11.499 -0.556 1.00 16.47 H ATOM 587 HB3 PRO A 44 29.176 12.080 0.319 1.00 16.47 H ATOM 588 HG2 PRO A 44 29.296 12.594 -2.132 1.00 18.68 H ATOM 589 HG3 PRO A 44 28.764 13.696 -1.110 1.00 18.68 H ATOM 590 HD2 PRO A 44 31.292 13.566 -2.311 1.00 17.19 H ATOM 591 HD3 PRO A 44 30.395 14.872 -2.052 1.00 17.19 H ATOM 592 N LEU A 45 32.144 11.982 2.289 1.00 10.05 N ANISOU 592 N LEU A 45 991 1557 1271 336 -515 -317 N ATOM 593 CA LEU A 45 33.227 11.153 2.800 1.00 9.85 C ANISOU 593 CA LEU A 45 1145 1453 1144 340 -604 -364 C ATOM 594 C LEU A 45 33.231 9.820 2.061 1.00 9.97 C ANISOU 594 C LEU A 45 1102 1502 1183 134 -537 -410 C ATOM 595 O LEU A 45 32.215 9.121 2.000 1.00 10.88 O ANISOU 595 O LEU A 45 1034 1749 1352 139 -263 -460 O ATOM 596 CB LEU A 45 33.071 10.914 4.301 1.00 11.06 C ANISOU 596 CB LEU A 45 1599 1461 1144 400 -594 -337 C ATOM 597 CG LEU A 45 34.244 10.199 4.992 1.00 11.59 C ANISOU 597 CG LEU A 45 1737 1412 1255 417 -655 -266 C ATOM 598 CD1 LEU A 45 35.510 11.046 4.992 1.00 12.33 C ANISOU 598 CD1 LEU A 45 1916 1431 1339 280 -718 -206 C ATOM 599 CD2 LEU A 45 33.894 9.791 6.423 1.00 12.28 C ANISOU 599 CD2 LEU A 45 2022 1361 1281 358 -631 -276 C ATOM 600 H LEU A 45 31.546 12.195 2.869 1.00 12.06 H ATOM 601 HA LEU A 45 34.076 11.596 2.645 1.00 11.82 H ATOM 602 HB2 LEU A 45 32.959 11.774 4.737 1.00 13.28 H ATOM 603 HB3 LEU A 45 32.278 10.374 4.444 1.00 13.28 H ATOM 604 HG LEU A 45 34.439 9.387 4.498 1.00 13.91 H ATOM 605 HD11 LEU A 45 36.218 10.554 5.437 1.00 14.80 H ATOM 606 HD12 LEU A 45 35.763 11.235 4.075 1.00 14.80 H ATOM 607 HD13 LEU A 45 35.335 11.874 5.466 1.00 14.80 H ATOM 608 HD21 LEU A 45 34.659 9.345 6.819 1.00 14.73 H ATOM 609 HD22 LEU A 45 33.674 10.586 6.933 1.00 14.73 H ATOM 610 HD23 LEU A 45 33.133 9.189 6.402 1.00 14.73 H ATOM 611 N THR A 46 34.378 9.475 1.494 1.00 9.03 N ANISOU 611 N THR A 46 1006 1347 1077 28 -466 -419 N ATOM 612 CA THR A 46 34.495 8.354 0.577 1.00 9.66 C ANISOU 612 CA THR A 46 1187 1351 1134 67 -351 -378 C ATOM 613 C THR A 46 35.690 7.501 0.972 1.00 8.96 C ANISOU 613 C THR A 46 1081 1201 1123 -46 -245 -304 C ATOM 614 O THR A 46 36.780 8.035 1.195 1.00 9.06 O ANISOU 614 O THR A 46 1142 1147 1154 -19 -325 -289 O ATOM 615 CB THR A 46 34.685 8.889 -0.845 1.00 11.82 C ANISOU 615 CB THR A 46 1611 1639 1242 418 -352 -380 C ATOM 616 OG1 THR A 46 33.593 9.756 -1.182 1.00 12.78 O ANISOU 616 OG1 THR A 46 1715 1871 1269 538 -534 -320 O ATOM 617 CG2 THR A 46 34.744 7.741 -1.855 1.00 12.42 C ANISOU 617 CG2 THR A 46 1647 1744 1327 208 -368 -489 C ATOM 618 H THR A 46 35.122 9.886 1.629 1.00 10.83 H ATOM 619 HA THR A 46 33.692 7.811 0.608 1.00 11.60 H ATOM 620 HB THR A 46 35.518 9.384 -0.895 1.00 14.19 H ATOM 621 HG1 THR A 46 33.564 10.402 -0.646 1.00 15.33 H ATOM 622 HG21 THR A 46 34.864 8.094 -2.750 1.00 14.90 H ATOM 623 HG22 THR A 46 35.486 7.153 -1.645 1.00 14.90 H ATOM 624 HG23 THR A 46 33.920 7.231 -1.825 1.00 14.90 H ATOM 625 N ASN A 47 35.484 6.185 1.057 1.00 8.58 N ANISOU 625 N ASN A 47 802 1286 1171 -252 -121 -192 N ATOM 626 CA ASN A 47 36.595 5.259 1.232 1.00 9.61 C ANISOU 626 CA ASN A 47 1332 1235 1086 -157 67 -135 C ATOM 627 C ASN A 47 37.362 5.140 -0.074 1.00 8.46 C ANISOU 627 C ASN A 47 1280 1162 774 -36 -126 -44 C ATOM 628 O ASN A 47 36.780 4.840 -1.123 1.00 7.80 O ANISOU 628 O ASN A 47 1043 1229 692 45 -102 -86 O ATOM 629 CB ASN A 47 36.092 3.874 1.635 1.00 12.79 C ANISOU 629 CB ASN A 47 2135 1362 1363 -407 504 -129 C ATOM 630 CG ASN A 47 35.654 3.793 3.086 1.00 18.10 C ANISOU 630 CG ASN A 47 3524 1663 1689 -792 773 -163 C ATOM 631 OD1 ASN A 47 36.274 4.377 3.972 1.00 21.68 O ANISOU 631 OD1 ASN A 47 4820 1782 1634 -662 904 -271 O ATOM 632 ND2 ASN A 47 34.595 3.026 3.338 1.00 20.32 N ANISOU 632 ND2 ASN A 47 3894 1864 1961 -909 820 -121 N ATOM 633 H ASN A 47 34.713 5.808 1.015 1.00 10.29 H ATOM 634 HA ASN A 47 37.194 5.588 1.920 1.00 11.54 H ATOM 635 HB2 ASN A 47 35.330 3.643 1.080 1.00 15.35 H ATOM 636 HB3 ASN A 47 36.805 3.230 1.502 1.00 15.35 H ATOM 637 HD21 ASN A 47 34.305 2.945 4.143 1.00 24.38 H ATOM 638 HD22 ASN A 47 34.202 2.612 2.695 1.00 24.38 H ATOM 639 N LEU A 48 38.632 5.382 -0.011 1.00 7.51 N ANISOU 639 N LEU A 48 1260 1045 547 62 -235 -42 N ATOM 640 CA LEU A 48 39.534 5.402 -1.172 1.00 6.61 C ANISOU 640 CA LEU A 48 1104 938 468 -56 -200 -28 C ATOM 641 C LEU A 48 40.513 4.230 -1.117 1.00 6.43 C ANISOU 641 C LEU A 48 1042 945 455 -31 -190 13 C ATOM 642 O LEU A 48 40.679 3.563 -0.085 1.00 6.64 O ANISOU 642 O LEU A 48 1118 951 454 -8 -268 26 O ATOM 643 CB LEU A 48 40.248 6.765 -1.234 1.00 6.66 C ANISOU 643 CB LEU A 48 1131 899 500 -34 -260 -66 C ATOM 644 CG LEU A 48 39.304 7.983 -1.415 1.00 7.01 C ANISOU 644 CG LEU A 48 1174 904 586 -32 -418 -70 C ATOM 645 CD1 LEU A 48 40.127 9.285 -1.303 1.00 6.84 C ANISOU 645 CD1 LEU A 48 1045 910 645 -137 -293 -76 C ATOM 646 CD2 LEU A 48 38.578 7.937 -2.778 1.00 7.53 C ANISOU 646 CD2 LEU A 48 1270 912 680 24 -470 -142 C ATOM 647 H LEU A 48 39.040 5.549 0.728 1.00 9.01 H ATOM 648 HA LEU A 48 39.000 5.306 -1.988 1.00 7.93 H ATOM 649 HB2 LEU A 48 40.740 6.895 -0.408 1.00 7.99 H ATOM 650 HB3 LEU A 48 40.865 6.758 -1.982 1.00 7.99 H ATOM 651 HG LEU A 48 38.636 7.981 -0.712 1.00 8.41 H ATOM 652 HD11 LEU A 48 39.539 10.036 -1.406 1.00 8.21 H ATOM 653 HD12 LEU A 48 40.548 9.314 -0.441 1.00 8.21 H ATOM 654 HD13 LEU A 48 40.794 9.293 -1.994 1.00 8.21 H ATOM 655 HD21 LEU A 48 38.013 8.710 -2.857 1.00 9.04 H ATOM 656 HD22 LEU A 48 39.232 7.937 -3.480 1.00 9.04 H ATOM 657 HD23 LEU A 48 38.048 7.138 -2.823 1.00 9.04 H ATOM 658 N SER A 49 41.243 4.036 -2.217 1.00 6.43 N ANISOU 658 N SER A 49 1113 900 432 -20 -76 -25 N ATOM 659 CA SER A 49 41.949 2.781 -2.470 1.00 6.27 C ANISOU 659 CA SER A 49 1051 847 485 -143 -274 -82 C ATOM 660 C SER A 49 43.431 2.842 -2.100 1.00 7.17 C ANISOU 660 C SER A 49 1224 939 560 -13 -300 -106 C ATOM 661 O SER A 49 44.245 3.376 -2.853 1.00 6.98 O ANISOU 661 O SER A 49 1039 1007 606 40 -407 -92 O ATOM 662 CB SER A 49 41.807 2.383 -3.933 1.00 6.47 C ANISOU 662 CB SER A 49 1156 761 540 -35 -283 -89 C ATOM 663 OG SER A 49 42.547 1.201 -4.179 1.00 7.25 O ANISOU 663 OG SER A 49 1496 703 554 41 -377 -46 O ATOM 664 H SER A 49 41.328 4.614 -2.848 1.00 7.72 H ATOM 665 HA SER A 49 41.541 2.083 -1.934 1.00 7.53 H ATOM 666 HB2 SER A 49 40.872 2.221 -4.131 1.00 7.76 H ATOM 667 HB3 SER A 49 42.150 3.097 -4.493 1.00 7.76 H ATOM 668 HG SER A 49 42.261 0.577 -3.696 1.00 8.69 H ATOM 669 N GLU A 50 43.793 2.182 -0.998 1.00 6.45 N ANISOU 669 N GLU A 50 1053 882 517 99 -317 -73 N ATOM 670 CA GLU A 50 45.201 1.898 -0.730 1.00 6.83 C ANISOU 670 CA GLU A 50 1166 902 529 214 -313 0 C ATOM 671 C GLU A 50 45.791 0.968 -1.780 1.00 6.08 C ANISOU 671 C GLU A 50 1018 811 480 19 -200 15 C ATOM 672 O GLU A 50 46.967 1.096 -2.139 1.00 6.52 O ANISOU 672 O GLU A 50 1139 826 513 -33 -283 16 O ATOM 673 CB GLU A 50 45.370 1.246 0.642 1.00 7.79 C ANISOU 673 CB GLU A 50 1284 1122 555 277 -160 13 C ATOM 674 CG GLU A 50 45.131 2.190 1.804 1.00 8.76 C ANISOU 674 CG GLU A 50 1419 1286 623 251 -69 8 C ATOM 675 CD GLU A 50 43.674 2.411 2.167 1.00 11.64 C ANISOU 675 CD GLU A 50 1914 1665 843 254 20 112 C ATOM 676 OE1 GLU A 50 42.789 1.669 1.674 1.00 12.34 O ANISOU 676 OE1 GLU A 50 1746 1937 1006 23 97 349 O ATOM 677 OE2 GLU A 50 43.423 3.334 2.972 1.00 14.30 O ANISOU 677 OE2 GLU A 50 2572 1851 1011 569 306 123 O ATOM 678 H GLU A 50 43.250 1.891 -0.398 1.00 7.74 H ATOM 679 HA GLU A 50 45.704 2.728 -0.739 1.00 8.20 H ATOM 680 HB2 GLU A 50 44.738 0.514 0.720 1.00 9.35 H ATOM 681 HB3 GLU A 50 46.276 0.906 0.717 1.00 9.35 H ATOM 682 HG2 GLU A 50 45.577 1.832 2.588 1.00 10.51 H ATOM 683 HG3 GLU A 50 45.511 3.054 1.581 1.00 10.51 H ATOM 684 N GLN A 51 45.001 -0.001 -2.260 1.00 6.11 N ANISOU 684 N GLN A 51 1116 725 480 -60 -324 4 N ATOM 685 CA GLN A 51 45.544 -0.984 -3.190 1.00 6.49 C ANISOU 685 CA GLN A 51 1146 688 631 -62 -352 -36 C ATOM 686 C GLN A 51 46.040 -0.322 -4.468 1.00 7.11 C ANISOU 686 C GLN A 51 1320 726 656 96 -395 -77 C ATOM 687 O GLN A 51 47.027 -0.769 -5.064 1.00 7.46 O ANISOU 687 O GLN A 51 1310 781 744 88 -475 -85 O ATOM 688 CB GLN A 51 44.519 -2.074 -3.510 1.00 7.01 C ANISOU 688 CB GLN A 51 1290 661 713 -166 -383 -50 C ATOM 689 CG GLN A 51 45.136 -3.283 -4.199 1.00 7.04 C ANISOU 689 CG GLN A 51 1318 671 687 -85 -368 14 C ATOM 690 CD GLN A 51 46.177 -3.941 -3.339 1.00 7.28 C ANISOU 690 CD GLN A 51 1340 696 731 -29 -253 -3 C ATOM 691 OE1 GLN A 51 45.875 -4.396 -2.248 1.00 7.84 O ANISOU 691 OE1 GLN A 51 1294 885 798 139 -185 56 O ATOM 692 NE2 GLN A 51 47.413 -3.987 -3.819 1.00 7.84 N ANISOU 692 NE2 GLN A 51 1495 724 758 15 -255 170 N ATOM 693 H GLN A 51 44.169 -0.106 -2.066 1.00 7.33 H ATOM 694 HA GLN A 51 46.306 -1.415 -2.771 1.00 7.79 H ATOM 695 HB2 GLN A 51 44.112 -2.376 -2.683 1.00 8.41 H ATOM 696 HB3 GLN A 51 43.842 -1.707 -4.099 1.00 8.41 H ATOM 697 HG2 GLN A 51 44.441 -3.934 -4.385 1.00 8.45 H ATOM 698 HG3 GLN A 51 45.560 -2.999 -5.024 1.00 8.45 H ATOM 699 HE21 GLN A 51 47.587 -3.649 -4.591 1.00 9.40 H ATOM 700 HE22 GLN A 51 48.039 -4.354 -3.359 1.00 9.40 H ATOM 701 N MET A 52 45.361 0.731 -4.919 1.00 7.01 N ANISOU 701 N MET A 52 1201 828 633 169 -265 -47 N ATOM 702 CA MET A 52 45.850 1.477 -6.071 1.00 7.22 C ANISOU 702 CA MET A 52 1232 832 681 111 -141 -15 C ATOM 703 C MET A 52 47.309 1.869 -5.878 1.00 6.78 C ANISOU 703 C MET A 52 1109 790 679 61 -219 40 C ATOM 704 O MET A 52 48.138 1.705 -6.778 1.00 6.59 O ANISOU 704 O MET A 52 939 878 686 -56 -247 -12 O ATOM 705 CB MET A 52 44.983 2.721 -6.264 1.00 7.24 C ANISOU 705 CB MET A 52 1237 815 698 163 65 -8 C ATOM 706 CG MET A 52 45.431 3.610 -7.412 1.00 8.54 C ANISOU 706 CG MET A 52 1506 948 792 91 -25 92 C ATOM 707 SD MET A 52 44.769 5.285 -7.314 1.00 8.39 S ANISOU 707 SD MET A 52 1441 955 793 205 -194 106 S ATOM 708 CE MET A 52 45.635 5.909 -5.871 1.00 8.20 C ANISOU 708 CE MET A 52 1359 807 949 -29 -369 99 C ATOM 709 H MET A 52 44.629 1.029 -4.580 1.00 8.41 H ATOM 710 HA MET A 52 45.770 0.926 -6.865 1.00 8.67 H ATOM 711 HB2 MET A 52 44.072 2.442 -6.444 1.00 8.69 H ATOM 712 HB3 MET A 52 45.011 3.250 -5.451 1.00 8.69 H ATOM 713 HG2 MET A 52 46.399 3.671 -7.404 1.00 10.25 H ATOM 714 HG3 MET A 52 45.132 3.219 -8.248 1.00 10.25 H ATOM 715 HE1 MET A 52 45.359 6.825 -5.709 1.00 9.84 H ATOM 716 HE2 MET A 52 45.412 5.356 -5.106 1.00 9.84 H ATOM 717 HE3 MET A 52 46.590 5.876 -6.037 1.00 9.84 H ATOM 718 N LEU A 53 47.640 2.424 -4.710 1.00 6.45 N ANISOU 718 N LEU A 53 1233 665 551 5 -166 -13 N ATOM 719 CA LEU A 53 49.024 2.817 -4.446 1.00 6.93 C ANISOU 719 CA LEU A 53 1363 715 554 -119 -70 -105 C ATOM 720 C LEU A 53 49.936 1.610 -4.314 1.00 6.56 C ANISOU 720 C LEU A 53 1218 773 501 -34 -114 -126 C ATOM 721 O LEU A 53 51.010 1.561 -4.912 1.00 7.13 O ANISOU 721 O LEU A 53 1175 922 613 68 -216 -177 O ATOM 722 CB LEU A 53 49.117 3.642 -3.168 1.00 6.56 C ANISOU 722 CB LEU A 53 1186 795 510 38 -102 -136 C ATOM 723 CG LEU A 53 48.589 5.060 -3.234 1.00 6.78 C ANISOU 723 CG LEU A 53 1280 853 443 11 -191 -113 C ATOM 724 CD1 LEU A 53 48.662 5.682 -1.864 1.00 7.09 C ANISOU 724 CD1 LEU A 53 1384 854 454 -101 -206 -123 C ATOM 725 CD2 LEU A 53 49.410 5.863 -4.218 1.00 7.80 C ANISOU 725 CD2 LEU A 53 1610 863 491 -145 -89 -141 C ATOM 726 H LEU A 53 47.092 2.582 -4.066 1.00 7.73 H ATOM 727 HA LEU A 53 49.347 3.360 -5.182 1.00 8.31 H ATOM 728 HB2 LEU A 53 48.618 3.182 -2.475 1.00 7.87 H ATOM 729 HB3 LEU A 53 50.050 3.695 -2.910 1.00 7.87 H ATOM 730 HG LEU A 53 47.664 5.054 -3.528 1.00 8.14 H ATOM 731 HD11 LEU A 53 48.323 6.590 -1.911 1.00 8.50 H ATOM 732 HD12 LEU A 53 48.123 5.159 -1.251 1.00 8.50 H ATOM 733 HD13 LEU A 53 49.586 5.689 -1.569 1.00 8.50 H ATOM 734 HD21 LEU A 53 49.064 6.769 -4.253 1.00 9.36 H ATOM 735 HD22 LEU A 53 50.334 5.873 -3.924 1.00 9.36 H ATOM 736 HD23 LEU A 53 49.345 5.450 -5.094 1.00 9.36 H ATOM 737 N VAL A 54 49.524 0.629 -3.516 1.00 5.67 N ANISOU 737 N VAL A 54 1049 669 435 -131 -183 -2 N ATOM 738 CA VAL A 54 50.379 -0.523 -3.257 1.00 6.62 C ANISOU 738 CA VAL A 54 1135 833 547 -19 -239 -15 C ATOM 739 C VAL A 54 50.747 -1.221 -4.562 1.00 7.25 C ANISOU 739 C VAL A 54 1254 927 572 108 -81 -71 C ATOM 740 O VAL A 54 51.909 -1.580 -4.784 1.00 8.16 O ANISOU 740 O VAL A 54 1239 1217 644 104 -180 -165 O ATOM 741 CB VAL A 54 49.710 -1.469 -2.236 1.00 7.31 C ANISOU 741 CB VAL A 54 1218 930 631 14 -328 12 C ATOM 742 CG1 VAL A 54 50.575 -2.680 -1.961 1.00 8.41 C ANISOU 742 CG1 VAL A 54 1529 943 725 90 -393 15 C ATOM 743 CG2 VAL A 54 49.461 -0.746 -0.914 1.00 6.85 C ANISOU 743 CG2 VAL A 54 965 995 641 181 -230 82 C ATOM 744 H VAL A 54 48.763 0.606 -3.117 1.00 6.80 H ATOM 745 HA VAL A 54 51.204 -0.206 -2.858 1.00 7.94 H ATOM 746 HB VAL A 54 48.858 -1.772 -2.586 1.00 8.78 H ATOM 747 HG11 VAL A 54 50.124 -3.249 -1.318 1.00 10.10 H ATOM 748 HG12 VAL A 54 50.714 -3.163 -2.790 1.00 10.10 H ATOM 749 HG13 VAL A 54 51.426 -2.384 -1.603 1.00 10.10 H ATOM 750 HG21 VAL A 54 49.041 -1.361 -0.293 1.00 8.21 H ATOM 751 HG22 VAL A 54 50.309 -0.441 -0.556 1.00 8.21 H ATOM 752 HG23 VAL A 54 48.877 0.012 -1.074 1.00 8.21 H ATOM 753 N SER A 55 49.779 -1.387 -5.464 1.00 7.56 N ANISOU 753 N SER A 55 1494 901 478 163 -153 -68 N ATOM 754 CA SER A 55 50.017 -2.102 -6.714 1.00 7.55 C ANISOU 754 CA SER A 55 1391 959 517 19 -155 -106 C ATOM 755 C SER A 55 50.630 -1.239 -7.808 1.00 7.96 C ANISOU 755 C SER A 55 1479 925 620 39 -58 -129 C ATOM 756 O SER A 55 51.394 -1.762 -8.629 1.00 9.62 O ANISOU 756 O SER A 55 1874 1074 709 119 -47 -59 O ATOM 757 CB SER A 55 48.708 -2.637 -7.284 1.00 7.39 C ANISOU 757 CB SER A 55 1346 934 527 42 -235 -84 C ATOM 758 OG SER A 55 48.160 -3.650 -6.472 1.00 8.10 O ANISOU 758 OG SER A 55 1561 950 567 90 -188 -18 O ATOM 759 H SER A 55 48.975 -1.095 -5.374 1.00 9.07 H ATOM 760 HA SER A 55 50.609 -2.852 -6.548 1.00 9.05 H ATOM 761 HB2 SER A 55 48.072 -1.908 -7.346 1.00 8.87 H ATOM 762 HB3 SER A 55 48.877 -3.001 -8.167 1.00 8.87 H ATOM 763 HG SER A 55 48.699 -4.292 -6.411 1.00 9.72 H ATOM 764 N CYS A 56 50.286 0.051 -7.879 1.00 7.99 N ANISOU 764 N CYS A 56 1535 919 580 55 -163 -12 N ATOM 765 CA CYS A 56 50.557 0.821 -9.090 1.00 8.08 C ANISOU 765 CA CYS A 56 1589 892 590 43 -113 21 C ATOM 766 C CYS A 56 51.633 1.884 -8.930 1.00 8.26 C ANISOU 766 C CYS A 56 1608 943 589 128 -78 -17 C ATOM 767 O CYS A 56 52.222 2.298 -9.929 1.00 8.93 O ANISOU 767 O CYS A 56 1719 1119 554 75 -9 -3 O ATOM 768 CB CYS A 56 49.275 1.503 -9.589 1.00 8.90 C ANISOU 768 CB CYS A 56 1721 897 763 -85 -198 -16 C ATOM 769 SG CYS A 56 47.913 0.361 -9.890 1.00 10.27 S ANISOU 769 SG CYS A 56 1779 1047 1075 -49 -438 8 S ATOM 770 H CYS A 56 49.901 0.494 -7.251 1.00 9.58 H ATOM 771 HA CYS A 56 50.853 0.210 -9.782 1.00 9.70 H ATOM 772 HB2 CYS A 56 48.982 2.144 -8.923 1.00 10.68 H ATOM 773 HB3 CYS A 56 49.468 1.960 -10.422 1.00 10.68 H ATOM 774 N ASP A 57 51.915 2.323 -7.709 1.00 7.61 N ANISOU 774 N ASP A 57 1399 916 577 4 -182 -61 N ATOM 775 CA ASP A 57 52.899 3.373 -7.472 1.00 8.76 C ANISOU 775 CA ASP A 57 1536 987 804 -90 -46 -108 C ATOM 776 C ASP A 57 54.276 2.731 -7.415 1.00 8.84 C ANISOU 776 C ASP A 57 1386 1159 814 -45 99 -139 C ATOM 777 O ASP A 57 54.679 2.175 -6.393 1.00 10.60 O ANISOU 777 O ASP A 57 1879 1240 909 257 -24 44 O ATOM 778 CB ASP A 57 52.538 4.102 -6.185 1.00 8.84 C ANISOU 778 CB ASP A 57 1426 1010 922 -32 1 -133 C ATOM 779 CG ASP A 57 53.658 4.962 -5.623 1.00 9.00 C ANISOU 779 CG ASP A 57 1362 1055 1003 -78 27 -180 C ATOM 780 OD1 ASP A 57 54.706 5.169 -6.276 1.00 9.68 O ANISOU 780 OD1 ASP A 57 1312 1271 1096 -279 -99 -299 O ATOM 781 OD2 ASP A 57 53.444 5.433 -4.480 1.00 9.52 O ANISOU 781 OD2 ASP A 57 1657 1001 959 -26 19 -205 O ATOM 782 H ASP A 57 51.545 2.025 -6.992 1.00 9.13 H ATOM 783 HA ASP A 57 52.882 4.009 -8.205 1.00 10.51 H ATOM 784 HB2 ASP A 57 51.779 4.682 -6.358 1.00 10.61 H ATOM 785 HB3 ASP A 57 52.302 3.446 -5.511 1.00 10.61 H ATOM 786 N LYS A 58 55.014 2.809 -8.520 1.00 9.90 N ANISOU 786 N LYS A 58 1493 1395 873 32 266 -212 N ATOM 787 CA LYS A 58 56.303 2.142 -8.613 1.00 11.24 C ANISOU 787 CA LYS A 58 1508 1671 1092 -32 247 -398 C ATOM 788 C LYS A 58 57.451 2.996 -8.077 1.00 11.87 C ANISOU 788 C LYS A 58 1364 1856 1291 66 189 -300 C ATOM 789 O LYS A 58 58.602 2.547 -8.112 1.00 14.11 O ANISOU 789 O LYS A 58 1773 2117 1470 295 94 -438 O ATOM 790 CB LYS A 58 56.561 1.668 -10.053 1.00 13.03 C ANISOU 790 CB LYS A 58 1980 1772 1199 -83 232 -466 C ATOM 791 CG LYS A 58 55.466 0.774 -10.610 1.00 13.27 C ANISOU 791 CG LYS A 58 1904 1849 1289 13 265 -487 C ATOM 792 CD LYS A 58 55.166 -0.425 -9.706 1.00 14.08 C ANISOU 792 CD LYS A 58 1977 1926 1448 -19 237 -509 C ATOM 793 CE LYS A 58 54.111 -1.336 -10.323 1.00 15.29 C ANISOU 793 CE LYS A 58 2180 2059 1571 50 131 -523 C ATOM 794 NZ LYS A 58 53.869 -2.561 -9.522 1.00 16.05 N ANISOU 794 NZ LYS A 58 2359 2113 1627 91 47 -526 N ATOM 795 H LYS A 58 54.788 3.242 -9.228 1.00 11.88 H ATOM 796 HA LYS A 58 56.265 1.347 -8.059 1.00 13.49 H ATOM 797 HB2 LYS A 58 56.632 2.445 -10.629 1.00 15.64 H ATOM 798 HB3 LYS A 58 57.392 1.167 -10.072 1.00 15.64 H ATOM 799 HG2 LYS A 58 54.651 1.292 -10.703 1.00 15.92 H ATOM 800 HG3 LYS A 58 55.744 0.435 -11.476 1.00 15.92 H ATOM 801 HD2 LYS A 58 55.977 -0.941 -9.578 1.00 16.90 H ATOM 802 HD3 LYS A 58 54.831 -0.107 -8.852 1.00 16.90 H ATOM 803 HE2 LYS A 58 53.274 -0.851 -10.390 1.00 18.35 H ATOM 804 HE3 LYS A 58 54.408 -1.609 -11.205 1.00 18.35 H ATOM 805 HZ1 LYS A 58 53.249 -3.064 -9.916 1.00 19.26 H ATOM 806 HZ2 LYS A 58 54.621 -3.032 -9.451 1.00 19.26 H ATOM 807 HZ3 LYS A 58 53.587 -2.340 -8.707 1.00 19.26 H ATOM 808 N THR A 59 57.169 4.207 -7.582 1.00 11.09 N ANISOU 808 N THR A 59 1213 1752 1248 -102 141 -172 N ATOM 809 CA THR A 59 58.174 4.963 -6.840 1.00 12.50 C ANISOU 809 CA THR A 59 1476 1870 1405 -390 12 -24 C ATOM 810 C THR A 59 58.269 4.482 -5.406 1.00 13.28 C ANISOU 810 C THR A 59 1785 1967 1295 -585 -263 53 C ATOM 811 O THR A 59 59.304 4.666 -4.763 1.00 17.09 O ANISOU 811 O THR A 59 2376 2577 1539 -864 -332 226 O ATOM 812 CB THR A 59 57.918 6.482 -6.873 1.00 14.59 C ANISOU 812 CB THR A 59 1891 1897 1757 -379 258 -1 C ATOM 813 OG1 THR A 59 56.764 6.838 -6.097 1.00 17.18 O ANISOU 813 OG1 THR A 59 2456 2077 1996 -350 292 -10 O ATOM 814 CG2 THR A 59 57.743 6.962 -8.274 1.00 16.09 C ANISOU 814 CG2 THR A 59 2447 1781 1884 -370 76 127 C ATOM 815 H THR A 59 56.411 4.606 -7.662 1.00 13.31 H ATOM 816 HA THR A 59 59.037 4.808 -7.254 1.00 15.00 H ATOM 817 HB THR A 59 58.692 6.934 -6.502 1.00 17.51 H ATOM 818 HG1 THR A 59 56.083 6.451 -6.400 1.00 20.62 H ATOM 819 HG21 THR A 59 57.583 7.919 -8.278 1.00 19.30 H ATOM 820 HG22 THR A 59 58.542 6.774 -8.790 1.00 19.30 H ATOM 821 HG23 THR A 59 56.988 6.514 -8.686 1.00 19.30 H ATOM 822 N ASP A 60 57.218 3.868 -4.903 1.00 10.55 N ANISOU 822 N ASP A 60 1507 1447 1055 -193 -266 17 N ATOM 823 CA ASP A 60 57.213 3.218 -3.610 1.00 9.55 C ANISOU 823 CA ASP A 60 1413 1205 1012 -11 -219 -73 C ATOM 824 C ASP A 60 57.360 1.715 -3.822 1.00 10.17 C ANISOU 824 C ASP A 60 1566 1134 1164 -8 -92 -163 C ATOM 825 O ASP A 60 57.497 1.244 -4.949 1.00 11.07 O ANISOU 825 O ASP A 60 1884 1113 1210 86 -140 -213 O ATOM 826 CB ASP A 60 55.955 3.651 -2.860 1.00 8.87 C ANISOU 826 CB ASP A 60 1322 1110 938 -214 -176 -26 C ATOM 827 CG ASP A 60 56.032 5.105 -2.441 1.00 9.20 C ANISOU 827 CG ASP A 60 1532 1060 905 -76 -110 -31 C ATOM 828 OD1 ASP A 60 56.967 5.412 -1.678 1.00 9.29 O ANISOU 828 OD1 ASP A 60 1479 1148 904 -93 -157 -43 O ATOM 829 OD2 ASP A 60 55.218 5.945 -2.902 1.00 8.94 O ANISOU 829 OD2 ASP A 60 1478 1018 900 -81 -83 -122 O ATOM 830 H ASP A 60 56.462 3.812 -5.310 1.00 12.66 H ATOM 831 HA ASP A 60 57.981 3.523 -3.102 1.00 11.46 H ATOM 832 HB2 ASP A 60 55.183 3.541 -3.438 1.00 10.64 H ATOM 833 HB3 ASP A 60 55.856 3.109 -2.061 1.00 10.64 H ATOM 834 N SER A 61 57.366 0.957 -2.721 1.00 10.07 N ANISOU 834 N SER A 61 1443 1095 1290 57 -45 -152 N ATOM 835 CA SER A 61 57.789 -0.441 -2.750 1.00 11.04 C ANISOU 835 CA SER A 61 1500 1199 1496 186 -41 -92 C ATOM 836 C SER A 61 56.707 -1.389 -2.253 1.00 9.70 C ANISOU 836 C SER A 61 1194 1081 1411 306 -47 -150 C ATOM 837 O SER A 61 57.010 -2.439 -1.690 1.00 10.51 O ANISOU 837 O SER A 61 1424 1064 1507 267 -268 -90 O ATOM 838 CB SER A 61 59.083 -0.631 -1.967 1.00 12.62 C ANISOU 838 CB SER A 61 1537 1425 1832 121 4 88 C ATOM 839 OG SER A 61 60.090 0.188 -2.531 1.00 13.98 O ANISOU 839 OG SER A 61 1541 1652 2120 77 -63 298 O ATOM 840 H SER A 61 57.129 1.234 -1.942 1.00 12.09 H ATOM 841 HA SER A 61 57.976 -0.679 -3.672 1.00 13.25 H ATOM 842 HB2 SER A 61 58.939 -0.373 -1.043 1.00 15.14 H ATOM 843 HB3 SER A 61 59.357 -1.560 -2.020 1.00 15.14 H ATOM 844 HG SER A 61 60.809 0.092 -2.108 1.00 16.78 H ATOM 845 N GLY A 62 55.447 -1.047 -2.483 1.00 9.31 N ANISOU 845 N GLY A 62 1120 1051 1368 275 -83 -208 N ATOM 846 CA GLY A 62 54.366 -1.981 -2.207 1.00 9.34 C ANISOU 846 CA GLY A 62 1185 1000 1362 224 -64 -236 C ATOM 847 C GLY A 62 54.341 -2.412 -0.754 1.00 9.71 C ANISOU 847 C GLY A 62 1357 910 1421 299 -70 -204 C ATOM 848 O GLY A 62 54.338 -1.587 0.169 1.00 10.22 O ANISOU 848 O GLY A 62 1619 782 1482 286 32 -199 O ATOM 849 H GLY A 62 55.193 -0.287 -2.795 1.00 11.18 H ATOM 850 HA2 GLY A 62 53.516 -1.564 -2.420 1.00 11.20 H ATOM 851 HA3 GLY A 62 54.471 -2.770 -2.761 1.00 11.20 H ATOM 852 N CYS A 63 54.340 -3.725 -0.547 1.00 10.49 N ANISOU 852 N CYS A 63 1593 943 1449 130 -132 -172 N ATOM 853 CA CYS A 63 54.341 -4.296 0.789 1.00 11.11 C ANISOU 853 CA CYS A 63 1619 982 1622 43 -94 -156 C ATOM 854 C CYS A 63 55.696 -4.226 1.470 1.00 11.60 C ANISOU 854 C CYS A 63 1472 1108 1827 140 -225 -72 C ATOM 855 O CYS A 63 55.796 -4.625 2.633 1.00 11.99 O ANISOU 855 O CYS A 63 1547 1146 1862 188 -113 72 O ATOM 856 CB CYS A 63 53.865 -5.747 0.753 1.00 11.89 C ANISOU 856 CB CYS A 63 1856 1045 1618 -6 -92 -206 C ATOM 857 SG CYS A 63 52.096 -5.938 0.362 1.00 12.35 S ANISOU 857 SG CYS A 63 2004 1123 1565 -250 -100 -320 S ATOM 858 H CYS A 63 54.339 -4.312 -1.175 1.00 12.59 H ATOM 859 HA CYS A 63 53.714 -3.797 1.336 1.00 13.34 H ATOM 860 HB2 CYS A 63 54.370 -6.225 0.077 1.00 14.27 H ATOM 861 HB3 CYS A 63 54.021 -6.148 1.623 1.00 14.27 H ATOM 862 N SER A 64 56.718 -3.698 0.801 1.00 11.39 N ANISOU 862 N SER A 64 1210 1151 1967 111 -364 -118 N ATOM 863 CA SER A 64 58.035 -3.523 1.393 1.00 12.85 C ANISOU 863 CA SER A 64 1320 1326 2235 252 -431 -210 C ATOM 864 C SER A 64 58.312 -2.081 1.785 1.00 12.93 C ANISOU 864 C SER A 64 1328 1378 2208 97 -436 -212 C ATOM 865 O SER A 64 59.459 -1.752 2.109 1.00 14.90 O ANISOU 865 O SER A 64 1571 1565 2526 245 -379 -363 O ATOM 866 CB SER A 64 59.114 -4.023 0.433 1.00 14.42 C ANISOU 866 CB SER A 64 1571 1434 2475 369 -543 -259 C ATOM 867 OG SER A 64 58.957 -5.405 0.219 1.00 17.08 O ANISOU 867 OG SER A 64 2268 1529 2694 474 -303 -347 O ATOM 868 H SER A 64 56.669 -3.430 -0.014 1.00 13.67 H ATOM 869 HA SER A 64 58.086 -4.061 2.198 1.00 15.42 H ATOM 870 HB2 SER A 64 59.029 -3.557 -0.413 1.00 17.31 H ATOM 871 HB3 SER A 64 59.987 -3.857 0.821 1.00 17.31 H ATOM 872 HG SER A 64 59.549 -5.683 -0.308 1.00 20.50 H ATOM 873 N GLY A 65 57.305 -1.223 1.769 1.00 11.95 N ANISOU 873 N GLY A 65 1396 1277 1868 22 -561 -125 N ATOM 874 CA GLY A 65 57.412 0.112 2.327 1.00 10.59 C ANISOU 874 CA GLY A 65 1298 1159 1567 104 -545 -114 C ATOM 875 C GLY A 65 57.311 1.200 1.270 1.00 9.27 C ANISOU 875 C GLY A 65 1200 1029 1292 104 -383 -100 C ATOM 876 O GLY A 65 57.149 0.950 0.072 1.00 9.81 O ANISOU 876 O GLY A 65 1430 1043 1253 24 -266 -158 O ATOM 877 H GLY A 65 56.532 -1.396 1.434 1.00 14.34 H ATOM 878 HA2 GLY A 65 56.704 0.248 2.975 1.00 12.71 H ATOM 879 HA3 GLY A 65 58.265 0.204 2.780 1.00 12.71 H ATOM 880 N GLY A 66 57.382 2.433 1.758 1.00 8.91 N ANISOU 880 N GLY A 66 1266 966 1152 193 -400 -35 N ATOM 881 CA GLY A 66 57.231 3.593 0.907 1.00 8.36 C ANISOU 881 CA GLY A 66 1245 886 1046 164 -303 -77 C ATOM 882 C GLY A 66 57.139 4.842 1.760 1.00 8.02 C ANISOU 882 C GLY A 66 1263 922 862 174 -402 -71 C ATOM 883 O GLY A 66 57.348 4.797 2.974 1.00 8.64 O ANISOU 883 O GLY A 66 1526 999 759 130 -327 -5 O ATOM 884 H GLY A 66 57.517 2.620 2.587 1.00 10.69 H ATOM 885 HA2 GLY A 66 57.994 3.671 0.314 1.00 10.03 H ATOM 886 HA3 GLY A 66 56.424 3.512 0.376 1.00 10.03 H ATOM 887 N LEU A 67 56.806 5.949 1.106 1.00 8.09 N ANISOU 887 N LEU A 67 1376 930 766 193 -400 -67 N ATOM 888 CA LEU A 67 56.757 7.263 1.739 1.00 7.72 C ANISOU 888 CA LEU A 67 1103 1007 825 106 -313 -90 C ATOM 889 C LEU A 67 55.488 7.957 1.301 1.00 7.03 C ANISOU 889 C LEU A 67 1098 924 650 107 -268 -104 C ATOM 890 O LEU A 67 55.152 7.969 0.114 1.00 7.57 O ANISOU 890 O LEU A 67 1305 985 588 66 -350 -102 O ATOM 891 CB LEU A 67 57.935 8.127 1.295 1.00 9.98 C ANISOU 891 CB LEU A 67 1340 1334 1119 -72 -174 -140 C ATOM 892 CG LEU A 67 59.348 7.664 1.613 1.00 12.88 C ANISOU 892 CG LEU A 67 1728 1767 1400 -160 -22 -125 C ATOM 893 CD1 LEU A 67 60.341 8.600 0.943 1.00 14.13 C ANISOU 893 CD1 LEU A 67 1719 2036 1615 -339 148 -159 C ATOM 894 CD2 LEU A 67 59.592 7.608 3.107 1.00 12.99 C ANISOU 894 CD2 LEU A 67 1642 1893 1401 -247 -226 -139 C ATOM 895 H LEU A 67 56.598 5.965 0.272 1.00 9.70 H ATOM 896 HA LEU A 67 56.764 7.176 2.705 1.00 9.27 H ATOM 897 HB2 LEU A 67 57.884 8.223 0.331 1.00 11.98 H ATOM 898 HB3 LEU A 67 57.830 9.001 1.703 1.00 11.98 H ATOM 899 HG LEU A 67 59.480 6.774 1.252 1.00 15.46 H ATOM 900 HD11 LEU A 67 61.242 8.303 1.147 0.03 16.96 H ATOM 901 HD12 LEU A 67 60.195 8.580 -0.016 0.08 16.96 H ATOM 902 HD13 LEU A 67 60.205 9.499 1.280 0.63 16.96 H ATOM 903 HD21 LEU A 67 60.501 7.310 3.267 1.00 15.59 H ATOM 904 HD22 LEU A 67 59.464 8.494 3.481 1.00 15.59 H ATOM 905 HD23 LEU A 67 58.964 6.987 3.506 1.00 15.59 H ATOM 906 N MET A 68 54.783 8.555 2.256 1.00 6.41 N ANISOU 906 N MET A 68 1096 808 533 94 -87 -125 N ATOM 907 CA MET A 68 53.565 9.276 1.905 1.00 6.16 C ANISOU 907 CA MET A 68 985 804 551 6 -96 -54 C ATOM 908 C MET A 68 53.843 10.376 0.890 1.00 6.40 C ANISOU 908 C MET A 68 1012 818 600 -11 -118 -55 C ATOM 909 O MET A 68 53.054 10.579 -0.034 1.00 6.72 O ANISOU 909 O MET A 68 1104 945 505 16 -146 -30 O ATOM 910 CB MET A 68 52.896 9.850 3.158 1.00 5.96 C ANISOU 910 CB MET A 68 973 815 477 -60 -124 9 C ATOM 911 CG MET A 68 52.324 8.787 4.088 1.00 6.81 C ANISOU 911 CG MET A 68 1176 888 525 -61 -220 15 C ATOM 912 SD MET A 68 53.539 7.977 5.145 1.00 7.22 S ANISOU 912 SD MET A 68 1302 942 499 16 -227 -35 S ATOM 913 CE MET A 68 53.747 9.221 6.415 1.00 7.47 C ANISOU 913 CE MET A 68 1258 952 627 -22 -325 -72 C ATOM 914 H MET A 68 54.981 8.560 3.093 1.00 7.70 H ATOM 915 HA MET A 68 52.943 8.647 1.508 1.00 7.39 H ATOM 916 HB2 MET A 68 53.552 10.360 3.658 1.00 7.15 H ATOM 917 HB3 MET A 68 52.167 10.430 2.886 1.00 7.15 H ATOM 918 HG2 MET A 68 51.664 9.203 4.665 1.00 8.18 H ATOM 919 HG3 MET A 68 51.899 8.101 3.550 1.00 8.18 H ATOM 920 HE1 MET A 68 54.393 8.903 7.065 1.00 8.96 H ATOM 921 HE2 MET A 68 54.066 10.040 6.005 1.00 8.96 H ATOM 922 HE3 MET A 68 52.893 9.378 6.846 1.00 8.96 H ATOM 923 N ASN A 69 54.948 11.102 1.033 1.00 6.56 N ANISOU 923 N ASN A 69 1055 768 670 -68 -195 55 N ATOM 924 CA ASN A 69 55.208 12.170 0.067 1.00 6.90 C ANISOU 924 CA ASN A 69 1227 652 744 -87 -179 -60 C ATOM 925 C ASN A 69 55.387 11.608 -1.336 1.00 7.38 C ANISOU 925 C ASN A 69 1237 802 765 34 -193 33 C ATOM 926 O ASN A 69 54.935 12.214 -2.308 1.00 7.88 O ANISOU 926 O ASN A 69 1269 886 838 30 -312 151 O ATOM 927 CB ASN A 69 56.417 12.997 0.483 1.00 7.75 C ANISOU 927 CB ASN A 69 1356 689 899 -157 -139 -122 C ATOM 928 CG ASN A 69 56.126 13.870 1.677 1.00 9.10 C ANISOU 928 CG ASN A 69 1580 900 976 56 -235 -101 C ATOM 929 OD1 ASN A 69 55.001 14.317 1.858 1.00 9.67 O ANISOU 929 OD1 ASN A 69 1612 1094 970 153 -257 -80 O ATOM 930 ND2 ASN A 69 57.119 14.081 2.513 1.00 9.40 N ANISOU 930 ND2 ASN A 69 1522 945 1105 -106 -194 -206 N ATOM 931 H ASN A 69 55.539 11.006 1.650 1.00 7.87 H ATOM 932 HA ASN A 69 54.441 12.763 0.049 1.00 8.28 H ATOM 933 HB2 ASN A 69 57.146 12.401 0.716 1.00 9.30 H ATOM 934 HB3 ASN A 69 56.678 13.571 -0.254 1.00 9.30 H ATOM 935 HD21 ASN A 69 56.999 14.573 3.208 1.00 11.28 H ATOM 936 HD22 ASN A 69 57.889 13.727 2.364 1.00 11.28 H ATOM 937 N ASN A 70 56.060 10.460 -1.469 1.00 7.31 N ANISOU 937 N ASN A 70 1204 855 720 219 -227 -40 N ATOM 938 CA ASN A 70 56.178 9.814 -2.777 1.00 8.28 C ANISOU 938 CA ASN A 70 1372 977 798 115 3 -117 C ATOM 939 C ASN A 70 54.806 9.451 -3.320 1.00 7.86 C ANISOU 939 C ASN A 70 1462 927 597 105 -14 -45 C ATOM 940 O ASN A 70 54.540 9.603 -4.518 1.00 8.30 O ANISOU 940 O ASN A 70 1568 1081 506 123 -214 110 O ATOM 941 CB ASN A 70 56.977 8.514 -2.677 1.00 10.49 C ANISOU 941 CB ASN A 70 1578 1149 1260 275 14 -221 C ATOM 942 CG ASN A 70 58.464 8.712 -2.549 1.00 13.11 C ANISOU 942 CG ASN A 70 1755 1390 1838 102 -75 -285 C ATOM 943 OD1 ASN A 70 58.978 9.818 -2.594 1.00 13.94 O ANISOU 943 OD1 ASN A 70 1734 1541 2020 -111 -48 -240 O ATOM 944 ND2 ASN A 70 59.175 7.603 -2.388 0.81 14.75 N ANISOU 944 ND2 ASN A 70 1841 1593 2172 -41 -259 -337 N ATOM 945 H ASN A 70 56.450 10.043 -0.827 1.00 8.78 H ATOM 946 HA ASN A 70 56.619 10.409 -3.403 1.00 9.94 H ATOM 947 HB2 ASN A 70 56.677 8.022 -1.896 1.00 12.59 H ATOM 948 HB3 ASN A 70 56.818 7.988 -3.476 1.00 12.59 H ATOM 949 HD21 ASN A 70 60.030 7.648 -2.309 1.00 17.71 H ATOM 950 HD22 ASN A 70 58.780 6.839 -2.363 1.00 17.71 H ATOM 951 N ALA A 71 53.934 8.947 -2.451 1.00 7.24 N ANISOU 951 N ALA A 71 1377 776 599 111 -35 -90 N ATOM 952 CA ALA A 71 52.604 8.538 -2.880 1.00 6.92 C ANISOU 952 CA ALA A 71 1268 733 629 70 -134 -95 C ATOM 953 C ALA A 71 51.810 9.723 -3.413 1.00 6.49 C ANISOU 953 C ALA A 71 1209 722 534 -17 -181 -37 C ATOM 954 O ALA A 71 51.171 9.632 -4.468 1.00 7.31 O ANISOU 954 O ALA A 71 1381 904 494 -2 -220 -53 O ATOM 955 CB ALA A 71 51.865 7.903 -1.708 1.00 6.42 C ANISOU 955 CB ALA A 71 1088 663 689 50 -304 6 C ATOM 956 H ALA A 71 54.089 8.833 -1.613 1.00 8.69 H ATOM 957 HA ALA A 71 52.682 7.878 -3.587 1.00 8.31 H ATOM 958 HB1 ALA A 71 50.981 7.634 -2.002 1.00 7.71 H ATOM 959 HB2 ALA A 71 52.363 7.129 -1.404 1.00 7.71 H ATOM 960 HB3 ALA A 71 51.792 8.553 -0.992 1.00 7.71 H ATOM 961 N PHE A 72 51.840 10.851 -2.698 1.00 6.77 N ANISOU 961 N PHE A 72 1314 731 529 110 -228 9 N ATOM 962 CA PHE A 72 51.124 12.027 -3.174 1.00 6.62 C ANISOU 962 CA PHE A 72 1094 822 598 19 -198 -32 C ATOM 963 C PHE A 72 51.668 12.481 -4.524 1.00 7.78 C ANISOU 963 C PHE A 72 1414 915 627 8 -190 13 C ATOM 964 O PHE A 72 50.909 12.926 -5.396 1.00 7.96 O ANISOU 964 O PHE A 72 1464 937 625 110 -298 30 O ATOM 965 CB PHE A 72 51.266 13.179 -2.174 1.00 7.09 C ANISOU 965 CB PHE A 72 1255 767 673 31 -76 -81 C ATOM 966 CG PHE A 72 50.653 12.924 -0.807 1.00 6.63 C ANISOU 966 CG PHE A 72 1138 667 716 10 -168 40 C ATOM 967 CD1 PHE A 72 49.427 12.315 -0.648 1.00 7.43 C ANISOU 967 CD1 PHE A 72 1294 764 766 9 -188 105 C ATOM 968 CD2 PHE A 72 51.324 13.352 0.325 1.00 6.44 C ANISOU 968 CD2 PHE A 72 971 758 717 15 -231 14 C ATOM 969 CE1 PHE A 72 48.900 12.127 0.624 1.00 7.05 C ANISOU 969 CE1 PHE A 72 1120 798 760 -12 -182 176 C ATOM 970 CE2 PHE A 72 50.798 13.163 1.581 1.00 6.58 C ANISOU 970 CE2 PHE A 72 1069 732 700 122 -102 35 C ATOM 971 CZ PHE A 72 49.596 12.542 1.734 1.00 6.90 C ANISOU 971 CZ PHE A 72 1187 741 694 158 -12 148 C ATOM 972 H PHE A 72 52.257 10.957 -1.954 1.00 8.13 H ATOM 973 HA PHE A 72 50.182 11.817 -3.274 1.00 7.94 H ATOM 974 HB2 PHE A 72 52.210 13.358 -2.042 1.00 8.51 H ATOM 975 HB3 PHE A 72 50.835 13.965 -2.545 1.00 8.51 H ATOM 976 HD1 PHE A 72 48.953 12.025 -1.394 1.00 8.92 H ATOM 977 HD2 PHE A 72 52.149 13.772 0.235 1.00 7.73 H ATOM 978 HE1 PHE A 72 48.078 11.704 0.726 1.00 8.46 H ATOM 979 HE2 PHE A 72 51.270 13.448 2.330 1.00 7.90 H ATOM 980 HZ PHE A 72 49.240 12.415 2.584 1.00 8.28 H ATOM 981 N GLU A 73 52.992 12.456 -4.674 1.00 7.91 N ANISOU 981 N GLU A 73 1346 1033 628 -157 -211 78 N ATOM 982 CA GLU A 73 53.612 12.821 -5.941 1.00 9.19 C ANISOU 982 CA GLU A 73 1460 1205 828 -134 -33 -15 C ATOM 983 C GLU A 73 53.204 11.866 -7.054 1.00 8.22 C ANISOU 983 C GLU A 73 1407 1028 687 -51 -189 77 C ATOM 984 O GLU A 73 52.932 12.299 -8.184 1.00 8.46 O ANISOU 984 O GLU A 73 1436 1112 665 -228 -125 139 O ATOM 985 CB GLU A 73 55.128 12.862 -5.766 1.00 12.38 C ANISOU 985 CB GLU A 73 1856 1601 1248 -38 -57 -109 C ATOM 986 CG GLU A 73 55.550 14.057 -4.949 1.00 16.08 C ANISOU 986 CG GLU A 73 2344 1977 1789 27 -169 -307 C ATOM 987 CD GLU A 73 56.912 13.920 -4.317 0.67 20.19 C ANISOU 987 CD GLU A 73 2976 2349 2347 12 -62 -589 C ATOM 988 OE1 GLU A 73 57.634 12.951 -4.639 0.77 22.64 O ANISOU 988 OE1 GLU A 73 3450 2580 2572 40 122 -606 O ATOM 989 OE2 GLU A 73 57.246 14.798 -3.487 0.81 21.73 O ANISOU 989 OE2 GLU A 73 3269 2451 2537 -119 -137 -784 O ATOM 990 H GLU A 73 53.549 12.231 -4.059 1.00 9.50 H ATOM 991 HA GLU A 73 53.317 13.711 -6.190 1.00 11.03 H ATOM 992 HB2 GLU A 73 55.421 12.060 -5.306 1.00 14.86 H ATOM 993 HB3 GLU A 73 55.551 12.924 -6.638 1.00 14.86 H ATOM 994 HG2 GLU A 73 55.569 14.838 -5.525 1.00 19.30 H ATOM 995 HG3 GLU A 73 54.906 14.191 -4.237 1.00 19.30 H ATOM 996 N TRP A 74 53.167 10.562 -6.764 1.00 7.34 N ANISOU 996 N TRP A 74 1265 873 652 -17 -47 58 N ATOM 997 CA TRP A 74 52.767 9.605 -7.793 1.00 7.66 C ANISOU 997 CA TRP A 74 1389 819 703 -61 -71 28 C ATOM 998 C TRP A 74 51.341 9.867 -8.254 1.00 7.62 C ANISOU 998 C TRP A 74 1456 847 593 -119 -108 84 C ATOM 999 O TRP A 74 51.042 9.865 -9.457 1.00 7.96 O ANISOU 999 O TRP A 74 1618 874 532 54 -192 -27 O ATOM 1000 CB TRP A 74 52.902 8.174 -7.272 1.00 8.55 C ANISOU 1000 CB TRP A 74 1691 817 739 -21 -91 -45 C ATOM 1001 CG TRP A 74 52.484 7.179 -8.307 1.00 8.20 C ANISOU 1001 CG TRP A 74 1554 888 673 -3 -30 -84 C ATOM 1002 CD1 TRP A 74 53.276 6.624 -9.280 1.00 8.49 C ANISOU 1002 CD1 TRP A 74 1629 926 670 90 -136 -83 C ATOM 1003 CD2 TRP A 74 51.170 6.634 -8.503 1.00 8.47 C ANISOU 1003 CD2 TRP A 74 1589 922 709 14 -64 -36 C ATOM 1004 NE1 TRP A 74 52.533 5.784 -10.062 1.00 9.10 N ANISOU 1004 NE1 TRP A 74 1740 970 748 -48 -5 -29 N ATOM 1005 CE2 TRP A 74 51.240 5.773 -9.615 1.00 8.74 C ANISOU 1005 CE2 TRP A 74 1605 969 745 -12 -61 -29 C ATOM 1006 CE3 TRP A 74 49.944 6.796 -7.854 1.00 8.25 C ANISOU 1006 CE3 TRP A 74 1501 922 711 115 -210 8 C ATOM 1007 CZ2 TRP A 74 50.130 5.058 -10.083 1.00 9.32 C ANISOU 1007 CZ2 TRP A 74 1703 1058 780 -16 -252 -20 C ATOM 1008 CZ3 TRP A 74 48.840 6.091 -8.328 1.00 9.45 C ANISOU 1008 CZ3 TRP A 74 1679 1047 863 159 -279 80 C ATOM 1009 CH2 TRP A 74 48.943 5.231 -9.425 1.00 10.06 C ANISOU 1009 CH2 TRP A 74 1831 1078 914 -9 -293 54 C ATOM 1010 N ILE A 75 50.434 10.081 -7.305 1.00 7.59 N ANISOU 1010 N ILE A 75 1454 880 551 61 -53 62 N ATOM 1011 CA ILE A 75 49.042 10.333 -7.661 1.00 7.55 C ANISOU 1011 CA ILE A 75 1398 888 584 48 -164 116 C ATOM 1012 C ILE A 75 48.956 11.487 -8.650 1.00 7.35 C ANISOU 1012 C ILE A 75 1317 874 601 28 -274 150 C ATOM 1013 O ILE A 75 48.263 11.407 -9.669 1.00 7.94 O ANISOU 1013 O ILE A 75 1536 915 567 119 -305 146 O ATOM 1014 CB ILE A 75 48.192 10.601 -6.403 1.00 7.53 C ANISOU 1014 CB ILE A 75 1391 825 644 -8 -142 92 C ATOM 1015 CG1 ILE A 75 48.082 9.322 -5.554 1.00 7.60 C ANISOU 1015 CG1 ILE A 75 1361 898 628 -118 -163 -12 C ATOM 1016 CG2 ILE A 75 46.806 11.121 -6.783 1.00 7.10 C ANISOU 1016 CG2 ILE A 75 1165 793 738 126 -40 120 C ATOM 1017 CD1 ILE A 75 47.599 9.559 -4.115 1.00 7.28 C ANISOU 1017 CD1 ILE A 75 1133 986 647 -7 -33 -12 C ATOM 1018 H ILE A 75 50.596 10.086 -6.460 1.00 9.11 H ATOM 1019 HA ILE A 75 48.684 9.544 -8.096 1.00 9.06 H ATOM 1020 HB ILE A 75 48.638 11.281 -5.874 1.00 9.03 H ATOM 1021 HG12 ILE A 75 47.453 8.719 -5.980 1.00 9.12 H ATOM 1022 HG13 ILE A 75 48.956 8.904 -5.507 1.00 9.12 H ATOM 1023 HG21 ILE A 75 46.296 11.280 -5.973 1.00 8.51 H ATOM 1024 HG22 ILE A 75 46.905 11.948 -7.280 1.00 8.51 H ATOM 1025 HG23 ILE A 75 46.359 10.457 -7.331 1.00 8.51 H ATOM 1026 HD11 ILE A 75 47.558 8.708 -3.652 1.00 8.74 H ATOM 1027 HD12 ILE A 75 48.223 10.151 -3.666 1.00 8.74 H ATOM 1028 HD13 ILE A 75 46.718 9.965 -4.140 1.00 8.74 H ATOM 1029 N VAL A 76 49.640 12.589 -8.344 1.00 8.04 N ANISOU 1029 N VAL A 76 1416 929 711 -75 -205 174 N ATOM 1030 CA VAL A 76 49.521 13.786 -9.169 1.00 8.23 C ANISOU 1030 CA VAL A 76 1361 979 786 77 -236 253 C ATOM 1031 C VAL A 76 50.265 13.617 -10.484 1.00 9.03 C ANISOU 1031 C VAL A 76 1599 1058 774 170 -234 244 C ATOM 1032 O VAL A 76 49.746 13.971 -11.551 1.00 10.92 O ANISOU 1032 O VAL A 76 2113 1243 792 213 -297 297 O ATOM 1033 CB VAL A 76 50.012 15.024 -8.393 1.00 9.62 C ANISOU 1033 CB VAL A 76 1693 1005 957 -42 -89 217 C ATOM 1034 CG1 VAL A 76 50.079 16.257 -9.302 1.00 11.42 C ANISOU 1034 CG1 VAL A 76 2143 1131 1066 -134 69 323 C ATOM 1035 CG2 VAL A 76 49.094 15.301 -7.213 1.00 9.57 C ANISOU 1035 CG2 VAL A 76 1733 984 920 -51 -253 101 C ATOM 1036 H VAL A 76 50.172 12.668 -7.673 1.00 9.65 H ATOM 1037 HA VAL A 76 48.584 13.925 -9.378 1.00 9.87 H ATOM 1038 HB VAL A 76 50.902 14.852 -8.050 1.00 11.54 H ATOM 1039 HG11 VAL A 76 50.391 17.015 -8.782 1.00 13.71 H ATOM 1040 HG12 VAL A 76 50.695 16.079 -10.030 1.00 13.71 H ATOM 1041 HG13 VAL A 76 49.194 16.439 -9.654 1.00 13.71 H ATOM 1042 HG21 VAL A 76 49.418 16.082 -6.738 1.00 11.49 H ATOM 1043 HG22 VAL A 76 48.196 15.463 -7.543 1.00 11.49 H ATOM 1044 HG23 VAL A 76 49.096 14.530 -6.624 1.00 11.49 H ATOM 1045 N GLN A 77 51.499 13.113 -10.429 1.00 9.50 N ANISOU 1045 N GLN A 77 1575 1239 797 42 -73 196 N ATOM 1046 CA GLN A 77 52.380 13.110 -11.596 1.00 11.88 C ANISOU 1046 CA GLN A 77 1936 1574 1003 60 171 226 C ATOM 1047 C GLN A 77 52.157 11.924 -12.520 1.00 12.24 C ANISOU 1047 C GLN A 77 2261 1589 799 51 99 305 C ATOM 1048 O GLN A 77 52.435 12.037 -13.718 1.00 13.85 O ANISOU 1048 O GLN A 77 2728 1677 858 -25 255 348 O ATOM 1049 CB GLN A 77 53.838 13.119 -11.144 1.00 14.42 C ANISOU 1049 CB GLN A 77 2087 1970 1423 139 208 114 C ATOM 1050 CG GLN A 77 54.216 14.369 -10.398 1.00 18.56 C ANISOU 1050 CG GLN A 77 2716 2367 1968 -34 28 -73 C ATOM 1051 CD GLN A 77 55.496 14.215 -9.609 0.55 23.53 C ANISOU 1051 CD GLN A 77 3607 2774 2561 -47 -117 -315 C ATOM 1052 OE1 GLN A 77 56.226 13.233 -9.762 0.70 25.70 O ANISOU 1052 OE1 GLN A 77 4030 2935 2800 -78 -157 -412 O ATOM 1053 NE2 GLN A 77 55.761 15.175 -8.731 0.44 25.48 N ANISOU 1053 NE2 GLN A 77 3986 2942 2753 -167 -218 -375 N ATOM 1054 H GLN A 77 51.850 12.766 -9.725 1.00 11.40 H ATOM 1055 HA GLN A 77 52.223 13.919 -12.108 1.00 14.25 H ATOM 1056 HB2 GLN A 77 53.990 12.363 -10.556 1.00 17.31 H ATOM 1057 HB3 GLN A 77 54.411 13.052 -11.924 1.00 17.31 H ATOM 1058 HG2 GLN A 77 54.340 15.091 -11.034 1.00 22.27 H ATOM 1059 HG3 GLN A 77 53.506 14.593 -9.776 1.00 22.27 H ATOM 1060 HE21 GLN A 77 55.217 15.835 -8.637 1.00 30.58 H ATOM 1061 HE22 GLN A 77 56.477 15.137 -8.255 1.00 30.58 H ATOM 1062 N GLU A 78 51.684 10.790 -12.001 1.00 11.08 N ANISOU 1062 N GLU A 78 2049 1534 627 121 -131 162 N ATOM 1063 CA GLU A 78 51.499 9.592 -12.805 1.00 11.30 C ANISOU 1063 CA GLU A 78 1959 1659 677 158 -23 34 C ATOM 1064 C GLU A 78 50.048 9.172 -12.957 1.00 11.37 C ANISOU 1064 C GLU A 78 2004 1640 676 31 -86 -110 C ATOM 1065 O GLU A 78 49.729 8.474 -13.917 1.00 14.12 O ANISOU 1065 O GLU A 78 2537 1986 841 -152 124 -410 O ATOM 1066 CB GLU A 78 52.292 8.415 -12.219 1.00 12.95 C ANISOU 1066 CB GLU A 78 2063 1937 921 134 112 91 C ATOM 1067 CG GLU A 78 53.776 8.653 -12.121 1.00 15.15 C ANISOU 1067 CG GLU A 78 2201 2349 1206 242 342 91 C ATOM 1068 CD GLU A 78 54.456 8.796 -13.468 1.00 18.30 C ANISOU 1068 CD GLU A 78 2548 2852 1553 134 318 59 C ATOM 1069 OE1 GLU A 78 53.878 8.388 -14.495 1.00 19.35 O ANISOU 1069 OE1 GLU A 78 2608 3085 1660 273 241 -68 O ATOM 1070 OE2 GLU A 78 55.586 9.320 -13.488 1.00 19.92 O ANISOU 1070 OE2 GLU A 78 2760 3036 1773 -24 426 121 O ATOM 1071 H GLU A 78 51.462 10.693 -11.176 1.00 13.30 H ATOM 1072 HA GLU A 78 51.847 9.764 -13.695 1.00 13.56 H ATOM 1073 HB2 GLU A 78 51.963 8.234 -11.325 1.00 15.54 H ATOM 1074 HB3 GLU A 78 52.155 7.637 -12.782 1.00 15.54 H ATOM 1075 HG2 GLU A 78 53.931 9.470 -11.621 1.00 18.18 H ATOM 1076 HG3 GLU A 78 54.184 7.903 -11.660 1.00 18.18 H ATOM 1077 N ASN A 79 49.153 9.593 -12.067 1.00 9.75 N ANISOU 1077 N ASN A 79 1861 1301 541 99 -145 -24 N ATOM 1078 CA ASN A 79 47.761 9.159 -12.123 1.00 9.38 C ANISOU 1078 CA ASN A 79 1857 1174 533 -26 -150 43 C ATOM 1079 C ASN A 79 46.780 10.310 -12.319 1.00 8.92 C ANISOU 1079 C ASN A 79 1646 1219 524 -75 -127 56 C ATOM 1080 O ASN A 79 45.595 10.165 -12.010 1.00 9.49 O ANISOU 1080 O ASN A 79 1845 1171 590 -295 -277 -59 O ATOM 1081 CB ASN A 79 47.398 8.346 -10.885 1.00 9.78 C ANISOU 1081 CB ASN A 79 2026 1102 587 37 -118 84 C ATOM 1082 CG ASN A 79 46.446 7.221 -11.186 1.00 11.13 C ANISOU 1082 CG ASN A 79 2358 1124 748 24 79 -27 C ATOM 1083 OD1 ASN A 79 46.622 6.487 -12.158 1.00 12.71 O ANISOU 1083 OD1 ASN A 79 2691 1225 913 -57 340 -208 O ATOM 1084 ND2 ASN A 79 45.424 7.078 -10.362 1.00 11.56 N ANISOU 1084 ND2 ASN A 79 2298 1175 921 -8 34 -77 N ATOM 1085 H ASN A 79 49.328 10.131 -11.420 1.00 11.70 H ATOM 1086 HA ASN A 79 47.662 8.571 -12.888 1.00 11.26 H ATOM 1087 HB2 ASN A 79 48.206 7.963 -10.510 1.00 11.73 H ATOM 1088 HB3 ASN A 79 46.976 8.930 -10.236 1.00 11.73 H ATOM 1089 HD21 ASN A 79 44.851 6.450 -10.491 1.00 13.88 H ATOM 1090 HD22 ASN A 79 45.331 7.614 -9.696 1.00 13.88 H ATOM 1091 N ASN A 80 47.250 11.446 -12.839 1.00 8.63 N ANISOU 1091 N ASN A 80 1363 1297 620 35 -199 167 N ATOM 1092 CA ASN A 80 46.391 12.585 -13.157 1.00 9.62 C ANISOU 1092 CA ASN A 80 1473 1425 758 203 -415 135 C ATOM 1093 C ASN A 80 45.599 13.068 -11.951 1.00 8.97 C ANISOU 1093 C ASN A 80 1470 1216 721 123 -297 191 C ATOM 1094 O ASN A 80 44.493 13.603 -12.093 1.00 9.41 O ANISOU 1094 O ASN A 80 1481 1293 801 193 -303 279 O ATOM 1095 CB ASN A 80 45.463 12.251 -14.321 1.00 11.90 C ANISOU 1095 CB ASN A 80 1805 1766 952 320 -608 150 C ATOM 1096 CG ASN A 80 46.229 11.862 -15.529 1.00 16.21 C ANISOU 1096 CG ASN A 80 2807 2181 1170 267 -543 98 C ATOM 1097 OD1 ASN A 80 47.141 12.569 -15.933 1.00 17.91 O ANISOU 1097 OD1 ASN A 80 3102 2475 1229 278 -495 78 O ATOM 1098 ND2 ASN A 80 45.906 10.715 -16.091 1.00 19.32 N ANISOU 1098 ND2 ASN A 80 3759 2261 1321 222 -270 6 N ATOM 1099 H ASN A 80 48.079 11.582 -13.020 1.00 10.36 H ATOM 1100 HA ASN A 80 46.956 13.320 -13.441 1.00 11.55 H ATOM 1101 HB2 ASN A 80 44.890 11.510 -14.071 1.00 14.28 H ATOM 1102 HB3 ASN A 80 44.929 13.031 -14.538 1.00 14.28 H ATOM 1103 HD21 ASN A 80 46.323 10.448 -16.794 1.00 23.18 H ATOM 1104 HD22 ASN A 80 45.278 10.234 -15.754 1.00 23.18 H ATOM 1105 N GLY A 81 46.175 12.918 -10.763 1.00 7.65 N ANISOU 1105 N GLY A 81 1266 1003 638 -94 -400 137 N ATOM 1106 CA GLY A 81 45.526 13.332 -9.543 1.00 7.59 C ANISOU 1106 CA GLY A 81 1362 868 652 13 -310 51 C ATOM 1107 C GLY A 81 44.487 12.372 -9.007 1.00 7.24 C ANISOU 1107 C GLY A 81 1184 922 646 -66 -269 -39 C ATOM 1108 O GLY A 81 43.976 12.590 -7.897 1.00 7.39 O ANISOU 1108 O GLY A 81 1139 1016 654 -50 -303 -27 O ATOM 1109 H GLY A 81 46.954 12.574 -10.643 1.00 9.18 H ATOM 1110 HA2 GLY A 81 46.199 13.455 -8.856 1.00 9.10 H ATOM 1111 HA3 GLY A 81 45.092 14.187 -9.693 1.00 9.10 H ATOM 1112 N ALA A 82 44.161 11.318 -9.741 1.00 7.87 N ANISOU 1112 N ALA A 82 1465 905 622 -95 -364 -128 N ATOM 1113 CA ALA A 82 43.008 10.494 -9.419 1.00 7.56 C ANISOU 1113 CA ALA A 82 1445 893 533 -36 -365 -9 C ATOM 1114 C ALA A 82 43.329 9.480 -8.331 1.00 7.14 C ANISOU 1114 C ALA A 82 1301 864 549 -138 -379 -19 C ATOM 1115 O ALA A 82 44.395 8.858 -8.321 1.00 8.09 O ANISOU 1115 O ALA A 82 1563 953 557 -238 -327 -28 O ATOM 1116 CB ALA A 82 42.534 9.742 -10.668 1.00 7.99 C ANISOU 1116 CB ALA A 82 1565 994 477 -99 -254 32 C ATOM 1117 H ALA A 82 44.595 11.056 -10.436 1.00 9.45 H ATOM 1118 HA ALA A 82 42.283 11.060 -9.108 1.00 9.07 H ATOM 1119 HB1 ALA A 82 41.765 9.198 -10.436 1.00 9.59 H ATOM 1120 HB2 ALA A 82 42.290 10.386 -11.351 1.00 9.59 H ATOM 1121 HB3 ALA A 82 43.255 9.177 -10.988 1.00 9.59 H ATOM 1122 N VAL A 83 42.373 9.303 -7.432 1.00 6.83 N ANISOU 1122 N VAL A 83 1300 839 457 -4 -302 2 N ATOM 1123 CA VAL A 83 42.414 8.250 -6.421 1.00 7.17 C ANISOU 1123 CA VAL A 83 1451 845 427 8 -210 33 C ATOM 1124 C VAL A 83 41.137 7.429 -6.561 1.00 6.80 C ANISOU 1124 C VAL A 83 1226 833 525 94 -230 20 C ATOM 1125 O VAL A 83 40.033 7.966 -6.439 1.00 7.04 O ANISOU 1125 O VAL A 83 1074 935 666 189 -282 -16 O ATOM 1126 CB VAL A 83 42.550 8.839 -5.005 1.00 7.31 C ANISOU 1126 CB VAL A 83 1293 995 488 67 -163 -74 C ATOM 1127 CG1 VAL A 83 42.641 7.734 -3.977 1.00 7.72 C ANISOU 1127 CG1 VAL A 83 1204 1171 558 207 -293 -61 C ATOM 1128 CG2 VAL A 83 43.769 9.747 -4.938 1.00 8.13 C ANISOU 1128 CG2 VAL A 83 1468 1047 573 -91 -174 -141 C ATOM 1129 H VAL A 83 41.668 9.794 -7.384 1.00 8.20 H ATOM 1130 HA VAL A 83 43.173 7.670 -6.588 1.00 8.60 H ATOM 1131 HB VAL A 83 41.765 9.373 -4.805 1.00 8.77 H ATOM 1132 HG11 VAL A 83 42.726 8.130 -3.095 1.00 9.26 H ATOM 1133 HG12 VAL A 83 41.836 7.194 -4.022 1.00 9.26 H ATOM 1134 HG13 VAL A 83 43.418 7.187 -4.170 1.00 9.26 H ATOM 1135 HG21 VAL A 83 43.843 10.110 -4.042 1.00 9.75 H ATOM 1136 HG22 VAL A 83 44.560 9.228 -5.152 1.00 9.75 H ATOM 1137 HG23 VAL A 83 43.662 10.466 -5.580 1.00 9.75 H ATOM 1138 N TYR A 84 41.286 6.137 -6.827 1.00 6.77 N ANISOU 1138 N TYR A 84 1236 775 560 105 -248 29 N ATOM 1139 CA TYR A 84 40.125 5.287 -7.028 1.00 6.48 C ANISOU 1139 CA TYR A 84 1049 831 584 117 -391 7 C ATOM 1140 C TYR A 84 39.412 5.002 -5.709 1.00 7.58 C ANISOU 1140 C TYR A 84 1360 906 613 56 -448 -25 C ATOM 1141 O TYR A 84 40.004 5.050 -4.622 1.00 7.03 O ANISOU 1141 O TYR A 84 1295 799 578 16 -422 2 O ATOM 1142 CB TYR A 84 40.536 3.989 -7.725 1.00 7.73 C ANISOU 1142 CB TYR A 84 1467 814 655 -84 -341 14 C ATOM 1143 CG TYR A 84 41.095 4.229 -9.113 1.00 8.22 C ANISOU 1143 CG TYR A 84 1393 980 749 91 -183 -93 C ATOM 1144 CD1 TYR A 84 40.348 4.919 -10.064 1.00 9.63 C ANISOU 1144 CD1 TYR A 84 1886 1043 730 118 -164 -56 C ATOM 1145 CD2 TYR A 84 42.376 3.792 -9.479 1.00 10.00 C ANISOU 1145 CD2 TYR A 84 1737 1145 917 115 -62 -151 C ATOM 1146 CE1 TYR A 84 40.834 5.152 -11.329 1.00 12.03 C ANISOU 1146 CE1 TYR A 84 2497 1243 832 131 119 -50 C ATOM 1147 CE2 TYR A 84 42.872 4.018 -10.757 1.00 11.74 C ANISOU 1147 CE2 TYR A 84 2227 1251 984 97 157 -139 C ATOM 1148 CZ TYR A 84 42.096 4.708 -11.671 1.00 14.04 C ANISOU 1148 CZ TYR A 84 2926 1448 962 64 373 -119 C ATOM 1149 OH TYR A 84 42.561 4.955 -12.946 1.00 18.18 O ANISOU 1149 OH TYR A 84 3875 1831 1200 -65 702 -78 O ATOM 1150 H TYR A 84 42.042 5.733 -6.896 1.00 8.12 H ATOM 1151 HA TYR A 84 39.499 5.748 -7.608 1.00 7.78 H ATOM 1152 HB2 TYR A 84 41.221 3.549 -7.197 1.00 9.27 H ATOM 1153 HB3 TYR A 84 39.759 3.414 -7.809 1.00 9.27 H ATOM 1154 HD1 TYR A 84 39.497 5.222 -9.841 1.00 11.56 H ATOM 1155 HD2 TYR A 84 42.895 3.328 -8.862 1.00 12.00 H ATOM 1156 HE1 TYR A 84 40.317 5.612 -11.950 1.00 14.44 H ATOM 1157 HE2 TYR A 84 43.722 3.722 -10.991 1.00 14.09 H ATOM 1158 HH TYR A 84 41.981 5.372 -13.388 1.00 21.81 H ATOM 1159 N THR A 85 38.124 4.709 -5.809 1.00 7.46 N ANISOU 1159 N THR A 85 1171 997 666 10 -475 -67 N ATOM 1160 CA THR A 85 37.368 4.287 -4.644 1.00 8.36 C ANISOU 1160 CA THR A 85 1311 1095 769 30 -469 -46 C ATOM 1161 C THR A 85 37.859 2.931 -4.155 1.00 7.79 C ANISOU 1161 C THR A 85 1173 1086 701 6 -322 -63 C ATOM 1162 O THR A 85 38.313 2.083 -4.930 1.00 8.13 O ANISOU 1162 O THR A 85 1489 988 612 16 -385 -122 O ATOM 1163 CB THR A 85 35.871 4.170 -4.949 1.00 8.90 C ANISOU 1163 CB THR A 85 1324 1101 955 -113 -446 6 C ATOM 1164 OG1 THR A 85 35.671 3.155 -5.941 1.00 9.27 O ANISOU 1164 OG1 THR A 85 1463 1100 959 -55 -580 -23 O ATOM 1165 CG2 THR A 85 35.268 5.497 -5.401 1.00 9.75 C ANISOU 1165 CG2 THR A 85 1444 1172 1090 -117 -495 65 C ATOM 1166 H THR A 85 37.667 4.747 -6.537 1.00 8.95 H ATOM 1167 HA THR A 85 37.487 4.933 -3.930 1.00 10.03 H ATOM 1168 HB THR A 85 35.412 3.902 -4.137 1.00 10.67 H ATOM 1169 HG1 THR A 85 34.852 3.082 -6.116 1.00 11.12 H ATOM 1170 HG21 THR A 85 34.322 5.386 -5.584 1.00 11.70 H ATOM 1171 HG22 THR A 85 35.378 6.165 -4.706 1.00 11.70 H ATOM 1172 HG23 THR A 85 35.712 5.805 -6.207 1.00 11.70 H ATOM 1173 N AGLU A 86 37.770 2.737 -2.839 0.30 8.73 N ANISOU 1173 N AGLU A 86 1359 1158 801 48 -325 -46 N ATOM 1174 N BGLU A 86 37.716 2.707 -2.865 0.70 7.71 N ANISOU 1174 N BGLU A 86 1247 1058 626 -81 -318 -13 N ATOM 1175 CA AGLU A 86 38.023 1.423 -2.262 0.30 9.82 C ANISOU 1175 CA AGLU A 86 1563 1208 960 155 -363 -17 C ATOM 1176 CA BGLU A 86 38.052 1.406 -2.297 0.70 7.68 C ANISOU 1176 CA BGLU A 86 1167 1030 720 -50 -323 46 C ATOM 1177 C AGLU A 86 37.119 0.376 -2.897 0.30 10.01 C ANISOU 1177 C AGLU A 86 1560 1149 1093 91 -364 54 C ATOM 1178 C BGLU A 86 37.098 0.341 -2.870 0.70 9.01 C ANISOU 1178 C BGLU A 86 1418 1025 980 -10 -301 69 C ATOM 1179 O AGLU A 86 37.573 -0.704 -3.285 0.30 10.14 O ANISOU 1179 O AGLU A 86 1598 1110 1145 83 -463 106 O ATOM 1180 O BGLU A 86 37.498 -0.725 -3.147 0.70 9.20 O ANISOU 1180 O BGLU A 86 1475 923 1099 -150 -297 91 O ATOM 1181 CB AGLU A 86 37.789 1.474 -0.751 0.30 11.75 C ANISOU 1181 CB AGLU A 86 2110 1338 1018 369 -330 -20 C ATOM 1182 CB BGLU A 86 37.934 1.444 -0.742 0.70 9.07 C ANISOU 1182 CB BGLU A 86 1677 1098 673 2 -127 163 C ATOM 1183 CG AGLU A 86 37.942 0.137 -0.044 0.30 13.92 C ANISOU 1183 CG AGLU A 86 2694 1488 1107 523 -394 -54 C ATOM 1184 CG BGLU A 86 38.485 0.169 -0.084 0.70 10.89 C ANISOU 1184 CG BGLU A 86 2115 1271 753 18 -145 173 C ATOM 1185 CD AGLU A 86 39.332 -0.438 -0.198 0.30 15.32 C ANISOU 1185 CD AGLU A 86 3008 1626 1186 559 -511 -102 C ATOM 1186 CD BGLU A 86 38.692 0.290 1.429 0.70 11.32 C ANISOU 1186 CD BGLU A 86 2072 1442 788 -115 -422 196 C ATOM 1187 OE1AGLU A 86 39.480 -1.673 -0.163 0.30 15.83 O ANISOU 1187 OE1AGLU A 86 3133 1680 1201 421 -566 -113 O ATOM 1188 OE1BGLU A 86 38.456 1.360 2.054 0.70 10.57 O ANISOU 1188 OE1BGLU A 86 1664 1625 729 -272 -458 213 O ATOM 1189 OE2AGLU A 86 40.280 0.350 -0.364 0.30 15.41 O ANISOU 1189 OE2AGLU A 86 2941 1679 1234 668 -589 -131 O ATOM 1190 OE2BGLU A 86 39.076 -0.753 1.979 0.70 13.23 O ANISOU 1190 OE2BGLU A 86 2602 1517 906 -93 -441 236 O ATOM 1191 H AGLU A 86 37.566 3.345 -2.266 0.30 10.48 H ATOM 1192 H BGLU A 86 37.587 3.322 -2.278 0.70 9.26 H ATOM 1193 HA AGLU A 86 38.946 1.171 -2.423 0.30 11.78 H ATOM 1194 HA BGLU A 86 38.972 1.167 -2.537 0.70 9.21 H ATOM 1195 HB2AGLU A 86 38.428 2.089 -0.359 0.30 14.10 H ATOM 1196 HB2BGLU A 86 38.438 2.200 -0.403 0.70 10.89 H ATOM 1197 HB3AGLU A 86 36.887 1.791 -0.588 0.30 14.10 H ATOM 1198 HB3BGLU A 86 36.999 1.530 -0.496 0.70 10.89 H ATOM 1199 HG2AGLU A 86 37.769 0.258 0.902 0.30 16.70 H ATOM 1200 HG2BGLU A 86 37.862 -0.558 -0.241 0.70 13.07 H ATOM 1201 HG3AGLU A 86 37.311 -0.495 -0.421 0.30 16.70 H ATOM 1202 HG3BGLU A 86 39.343 -0.042 -0.484 0.70 13.07 H ATOM 1203 N ASP A 87 35.830 0.689 -3.018 1.00 9.95 N ANISOU 1203 N ASP A 87 1437 1137 1208 -36 -295 76 N ATOM 1204 CA ASP A 87 34.881 -0.291 -3.526 1.00 11.97 C ANISOU 1204 CA ASP A 87 1523 1396 1630 -225 -416 51 C ATOM 1205 C ASP A 87 35.286 -0.796 -4.909 1.00 11.01 C ANISOU 1205 C ASP A 87 1564 1131 1488 -327 -534 -16 C ATOM 1206 O ASP A 87 35.097 -1.979 -5.221 1.00 12.37 O ANISOU 1206 O ASP A 87 1982 1135 1584 -315 -567 -4 O ATOM 1207 CB ASP A 87 33.477 0.314 -3.560 1.00 15.41 C ANISOU 1207 CB ASP A 87 1589 2062 2204 -244 -498 71 C ATOM 1208 CG ASP A 87 32.897 0.530 -2.173 1.00 22.22 C ANISOU 1208 CG ASP A 87 2940 2753 2749 -42 -468 171 C ATOM 1209 OD1 ASP A 87 33.483 0.028 -1.192 0.54 24.48 O ANISOU 1209 OD1 ASP A 87 3397 3006 2900 -139 -449 267 O ATOM 1210 OD2 ASP A 87 31.847 1.204 -2.069 0.50 24.98 O ANISOU 1210 OD2 ASP A 87 3548 3001 2944 181 -368 142 O ATOM 1211 H ASP A 87 35.495 1.460 -2.835 1.00 11.94 H ATOM 1212 HA ASP A 87 34.864 -1.052 -2.925 1.00 14.37 H ATOM 1213 HB2 ASP A 87 33.514 1.174 -4.007 1.00 18.49 H ATOM 1214 HB3 ASP A 87 32.886 -0.286 -4.042 1.00 18.49 H ATOM 1215 N SER A 88 35.828 0.082 -5.754 1.00 9.53 N ANISOU 1215 N SER A 88 1246 1053 1321 -157 -580 -89 N ATOM 1216 CA SER A 88 36.189 -0.290 -7.116 1.00 10.32 C ANISOU 1216 CA SER A 88 1714 1067 1139 -62 -656 -157 C ATOM 1217 C SER A 88 37.613 -0.815 -7.246 1.00 10.22 C ANISOU 1217 C SER A 88 1746 1108 1031 -84 -654 -168 C ATOM 1218 O SER A 88 37.958 -1.372 -8.300 1.00 10.94 O ANISOU 1218 O SER A 88 1710 1347 1098 16 -705 -250 O ATOM 1219 CB SER A 88 35.993 0.884 -8.086 1.00 10.49 C ANISOU 1219 CB SER A 88 1820 1113 1052 -102 -680 -199 C ATOM 1220 OG SER A 88 37.060 1.807 -7.990 1.00 10.47 O ANISOU 1220 OG SER A 88 1783 1151 1043 -31 -559 -186 O ATOM 1221 H SER A 88 35.997 0.903 -5.559 1.00 11.43 H ATOM 1222 HA SER A 88 35.594 -1.001 -7.402 1.00 12.38 H ATOM 1223 HB2 SER A 88 35.954 0.540 -8.992 1.00 12.59 H ATOM 1224 HB3 SER A 88 35.163 1.337 -7.868 1.00 12.59 H ATOM 1225 HG SER A 88 37.105 2.114 -7.209 1.00 12.56 H ATOM 1226 N TYR A 89 38.434 -0.660 -6.206 1.00 8.60 N ANISOU 1226 N TYR A 89 1367 993 909 -171 -528 -66 N ATOM 1227 CA TYR A 89 39.808 -1.158 -6.218 1.00 8.43 C ANISOU 1227 CA TYR A 89 1387 995 820 -58 -570 -69 C ATOM 1228 C TYR A 89 40.110 -1.607 -4.768 1.00 7.87 C ANISOU 1228 C TYR A 89 1145 996 850 -57 -556 -93 C ATOM 1229 O TYR A 89 40.870 -0.967 -4.035 1.00 7.67 O ANISOU 1229 O TYR A 89 1232 900 781 -96 -475 -71 O ATOM 1230 CB TYR A 89 40.789 -0.067 -6.709 1.00 8.50 C ANISOU 1230 CB TYR A 89 1481 953 797 -104 -573 -13 C ATOM 1231 CG TYR A 89 42.096 -0.622 -7.270 1.00 8.34 C ANISOU 1231 CG TYR A 89 1353 1058 757 -140 -521 -71 C ATOM 1232 CD1 TYR A 89 42.822 0.073 -8.225 1.00 8.81 C ANISOU 1232 CD1 TYR A 89 1426 1143 780 -141 -447 13 C ATOM 1233 CD2 TYR A 89 42.598 -1.860 -6.877 1.00 8.84 C ANISOU 1233 CD2 TYR A 89 1387 1198 772 -111 -532 15 C ATOM 1234 CE1 TYR A 89 43.984 -0.427 -8.765 1.00 9.16 C ANISOU 1234 CE1 TYR A 89 1461 1216 803 -269 -365 42 C ATOM 1235 CE2 TYR A 89 43.759 -2.352 -7.411 1.00 9.22 C ANISOU 1235 CE2 TYR A 89 1379 1272 851 -141 -555 -16 C ATOM 1236 CZ TYR A 89 44.455 -1.644 -8.356 1.00 9.80 C ANISOU 1236 CZ TYR A 89 1529 1355 839 -145 -447 -24 C ATOM 1237 OH TYR A 89 45.563 -2.063 -8.965 1.00 9.87 O ANISOU 1237 OH TYR A 89 1472 1466 812 -130 -377 37 O ATOM 1238 H TYR A 89 38.216 -0.265 -5.474 1.00 10.32 H ATOM 1239 HA TYR A 89 39.876 -1.935 -6.811 1.00 10.11 H ATOM 1240 HB2 TYR A 89 40.360 0.447 -7.410 1.00 10.20 H ATOM 1241 HB3 TYR A 89 41.010 0.513 -5.963 1.00 10.20 H ATOM 1242 HD1 TYR A 89 42.506 0.897 -8.519 1.00 10.58 H ATOM 1243 HD2 TYR A 89 42.138 -2.360 -6.241 1.00 10.60 H ATOM 1244 HE1 TYR A 89 44.443 0.057 -9.413 1.00 10.99 H ATOM 1245 HE2 TYR A 89 44.070 -3.186 -7.140 1.00 11.06 H ATOM 1246 HH TYR A 89 45.823 -1.496 -9.497 1.00 11.84 H ATOM 1247 N PRO A 90 39.524 -2.715 -4.365 1.00 8.47 N ANISOU 1247 N PRO A 90 1303 988 928 -176 -567 -128 N ATOM 1248 CA PRO A 90 39.591 -3.094 -2.947 1.00 8.96 C ANISOU 1248 CA PRO A 90 1493 982 930 -271 -548 -116 C ATOM 1249 C PRO A 90 40.958 -3.630 -2.542 1.00 8.30 C ANISOU 1249 C PRO A 90 1445 921 786 -30 -339 -172 C ATOM 1250 O PRO A 90 41.775 -4.062 -3.354 1.00 8.41 O ANISOU 1250 O PRO A 90 1429 1022 743 -62 -389 -120 O ATOM 1251 CB PRO A 90 38.511 -4.177 -2.819 1.00 10.39 C ANISOU 1251 CB PRO A 90 1669 1075 1202 -468 -616 -43 C ATOM 1252 CG PRO A 90 38.275 -4.660 -4.196 1.00 11.44 C ANISOU 1252 CG PRO A 90 2002 1073 1272 -536 -603 -61 C ATOM 1253 CD PRO A 90 38.554 -3.530 -5.120 1.00 9.84 C ANISOU 1253 CD PRO A 90 1605 1015 1118 -176 -705 -111 C ATOM 1254 HA PRO A 90 39.360 -2.340 -2.384 1.00 10.75 H ATOM 1255 HB2 PRO A 90 38.835 -4.896 -2.255 1.00 12.46 H ATOM 1256 HB3 PRO A 90 37.703 -3.789 -2.449 1.00 12.46 H ATOM 1257 HG2 PRO A 90 38.873 -5.401 -4.382 1.00 13.73 H ATOM 1258 HG3 PRO A 90 37.351 -4.944 -4.282 1.00 13.73 H ATOM 1259 HD2 PRO A 90 38.951 -3.855 -5.943 1.00 11.81 H ATOM 1260 HD3 PRO A 90 37.744 -3.023 -5.289 1.00 11.81 H ATOM 1261 N TYR A 91 41.199 -3.608 -1.242 1.00 7.45 N ANISOU 1261 N TYR A 91 1166 903 762 -42 -285 -107 N ATOM 1262 CA TYR A 91 42.470 -4.075 -0.719 1.00 7.44 C ANISOU 1262 CA TYR A 91 1254 843 731 -6 -270 -31 C ATOM 1263 C TYR A 91 42.586 -5.569 -0.922 1.00 8.10 C ANISOU 1263 C TYR A 91 1238 858 982 -105 -249 19 C ATOM 1264 O TYR A 91 41.645 -6.324 -0.678 1.00 9.82 O ANISOU 1264 O TYR A 91 1473 911 1349 -218 -75 105 O ATOM 1265 CB TYR A 91 42.560 -3.751 0.766 1.00 7.50 C ANISOU 1265 CB TYR A 91 1407 885 558 1 -274 -90 C ATOM 1266 CG TYR A 91 43.949 -3.842 1.356 1.00 6.81 C ANISOU 1266 CG TYR A 91 1187 903 496 -63 -313 -134 C ATOM 1267 CD1 TYR A 91 44.976 -3.073 0.853 1.00 7.41 C ANISOU 1267 CD1 TYR A 91 1420 911 484 -16 -280 -107 C ATOM 1268 CD2 TYR A 91 44.217 -4.672 2.444 1.00 6.67 C ANISOU 1268 CD2 TYR A 91 1148 851 537 -59 -328 -84 C ATOM 1269 CE1 TYR A 91 46.230 -3.116 1.414 1.00 7.28 C ANISOU 1269 CE1 TYR A 91 1267 933 565 -22 -169 -108 C ATOM 1270 CE2 TYR A 91 45.461 -4.715 3.016 1.00 7.70 C ANISOU 1270 CE2 TYR A 91 1446 919 562 -24 -382 -77 C ATOM 1271 CZ TYR A 91 46.473 -3.947 2.485 1.00 7.29 C ANISOU 1271 CZ TYR A 91 1241 910 618 -6 -248 -57 C ATOM 1272 OH TYR A 91 47.740 -3.958 3.037 1.00 7.68 O ANISOU 1272 OH TYR A 91 1413 840 664 -96 -418 -28 O ATOM 1273 H TYR A 91 40.646 -3.330 -0.645 1.00 8.94 H ATOM 1274 HA TYR A 91 43.200 -3.636 -1.182 1.00 8.93 H ATOM 1275 HB2 TYR A 91 42.243 -2.845 0.904 1.00 9.00 H ATOM 1276 HB3 TYR A 91 41.994 -4.371 1.253 1.00 9.00 H ATOM 1277 HD1 TYR A 91 44.815 -2.506 0.134 1.00 8.89 H ATOM 1278 HD2 TYR A 91 43.531 -5.186 2.805 1.00 8.01 H ATOM 1279 HE1 TYR A 91 46.916 -2.593 1.065 1.00 8.73 H ATOM 1280 HE2 TYR A 91 45.627 -5.276 3.739 1.00 9.24 H ATOM 1281 HH TYR A 91 47.769 -4.500 3.679 1.00 9.21 H ATOM 1282 N ALA A 92 43.757 -5.987 -1.360 1.00 7.86 N ANISOU 1282 N ALA A 92 1234 856 898 -3 -408 -54 N ATOM 1283 CA ALA A 92 43.992 -7.382 -1.692 1.00 7.93 C ANISOU 1283 CA ALA A 92 1273 863 877 -81 -458 -143 C ATOM 1284 C ALA A 92 45.382 -7.817 -1.257 1.00 7.95 C ANISOU 1284 C ALA A 92 1410 781 831 72 -312 -92 C ATOM 1285 O ALA A 92 45.923 -8.779 -1.805 1.00 9.25 O ANISOU 1285 O ALA A 92 1698 866 950 49 -204 -225 O ATOM 1286 CB ALA A 92 43.827 -7.584 -3.199 1.00 8.83 C ANISOU 1286 CB ALA A 92 1336 1064 954 118 -483 -230 C ATOM 1287 H ALA A 92 44.442 -5.479 -1.475 1.00 9.44 H ATOM 1288 HA ALA A 92 43.340 -7.937 -1.235 1.00 9.52 H ATOM 1289 HB1 ALA A 92 43.985 -8.517 -3.411 1.00 10.59 H ATOM 1290 HB2 ALA A 92 42.924 -7.335 -3.453 1.00 10.59 H ATOM 1291 HB3 ALA A 92 44.468 -7.025 -3.664 1.00 10.59 H ATOM 1292 N SER A 93 45.989 -7.114 -0.302 1.00 7.22 N ANISOU 1292 N SER A 93 1255 781 706 94 -236 -61 N ATOM 1293 CA SER A 93 47.357 -7.397 0.113 1.00 7.19 C ANISOU 1293 CA SER A 93 1283 767 683 65 -328 -14 C ATOM 1294 C SER A 93 47.461 -7.845 1.564 1.00 7.33 C ANISOU 1294 C SER A 93 1297 767 721 133 -292 -29 C ATOM 1295 O SER A 93 48.570 -7.882 2.100 1.00 8.11 O ANISOU 1295 O SER A 93 1519 759 805 161 -389 3 O ATOM 1296 CB SER A 93 48.234 -6.163 -0.084 1.00 7.99 C ANISOU 1296 CB SER A 93 1437 866 734 136 -327 38 C ATOM 1297 OG SER A 93 48.139 -5.683 -1.414 1.00 8.35 O ANISOU 1297 OG SER A 93 1419 983 771 142 -351 82 O ATOM 1298 H SER A 93 45.625 -6.461 0.124 1.00 8.66 H ATOM 1299 HA SER A 93 47.713 -8.108 -0.444 1.00 8.63 H ATOM 1300 HB2 SER A 93 47.941 -5.467 0.525 1.00 9.59 H ATOM 1301 HB3 SER A 93 49.157 -6.399 0.102 1.00 9.59 H ATOM 1302 HG SER A 93 47.344 -5.475 -1.588 1.00 10.02 H ATOM 1303 N GLY A 94 46.342 -8.146 2.225 1.00 7.56 N ANISOU 1303 N GLY A 94 1378 808 686 272 -103 -29 N ATOM 1304 CA GLY A 94 46.362 -8.397 3.657 1.00 8.00 C ANISOU 1304 CA GLY A 94 1514 824 702 155 -187 11 C ATOM 1305 C GLY A 94 47.212 -9.574 4.070 1.00 8.40 C ANISOU 1305 C GLY A 94 1735 789 667 178 -119 7 C ATOM 1306 O GLY A 94 47.665 -9.624 5.218 1.00 9.42 O ANISOU 1306 O GLY A 94 2067 905 608 287 -265 -37 O ATOM 1307 H GLY A 94 45.563 -8.209 1.865 1.00 9.07 H ATOM 1308 HA2 GLY A 94 46.697 -7.609 4.112 1.00 9.60 H ATOM 1309 HA3 GLY A 94 45.456 -8.559 3.962 1.00 9.60 H ATOM 1310 N GLU A 95 47.434 -10.533 3.176 1.00 8.20 N ANISOU 1310 N GLU A 95 1775 679 662 166 -157 4 N ATOM 1311 CA GLU A 95 48.285 -11.670 3.487 1.00 8.46 C ANISOU 1311 CA GLU A 95 1724 666 826 140 -72 -32 C ATOM 1312 C GLU A 95 49.762 -11.359 3.298 1.00 9.40 C ANISOU 1312 C GLU A 95 1845 876 850 299 -249 -23 C ATOM 1313 O GLU A 95 50.604 -12.188 3.662 1.00 10.34 O ANISOU 1313 O GLU A 95 1914 1002 1014 476 -290 71 O ATOM 1314 CB GLU A 95 47.897 -12.882 2.629 1.00 9.96 C ANISOU 1314 CB GLU A 95 1901 791 1092 171 5 -81 C ATOM 1315 CG GLU A 95 46.464 -13.339 2.803 1.00 12.04 C ANISOU 1315 CG GLU A 95 1956 1146 1473 -15 29 -44 C ATOM 1316 CD GLU A 95 45.454 -12.609 1.922 1.00 15.16 C ANISOU 1316 CD GLU A 95 2194 1688 1879 -310 219 52 C ATOM 1317 OE1 GLU A 95 45.819 -11.731 1.115 1.00 15.33 O ANISOU 1317 OE1 GLU A 95 2309 1800 1717 -483 139 -84 O ATOM 1318 OE2 GLU A 95 44.260 -12.940 2.036 0.70 18.78 O ANISOU 1318 OE2 GLU A 95 2774 2074 2289 -225 424 312 O ATOM 1319 H GLU A 95 47.101 -10.546 2.383 1.00 9.84 H ATOM 1320 HA GLU A 95 48.152 -11.912 4.417 1.00 10.16 H ATOM 1321 HB2 GLU A 95 48.022 -12.654 1.695 1.00 11.95 H ATOM 1322 HB3 GLU A 95 48.474 -13.626 2.864 1.00 11.95 H ATOM 1323 HG2 GLU A 95 46.412 -14.284 2.589 1.00 14.45 H ATOM 1324 HG3 GLU A 95 46.204 -13.199 3.727 1.00 14.45 H ATOM 1325 N GLY A 96 50.098 -10.204 2.734 1.00 9.21 N ANISOU 1325 N GLY A 96 1766 1015 718 126 -306 -110 N ATOM 1326 CA GLY A 96 51.480 -9.806 2.586 1.00 10.12 C ANISOU 1326 CA GLY A 96 1792 1213 839 139 -96 -103 C ATOM 1327 C GLY A 96 52.008 -9.799 1.170 1.00 9.34 C ANISOU 1327 C GLY A 96 1449 1291 808 11 -44 -134 C ATOM 1328 O GLY A 96 53.161 -9.400 0.978 1.00 11.15 O ANISOU 1328 O GLY A 96 1674 1601 963 131 15 -160 O ATOM 1329 H GLY A 96 49.534 -9.631 2.429 1.00 11.05 H ATOM 1330 HA2 GLY A 96 51.589 -8.913 2.947 1.00 12.14 H ATOM 1331 HA3 GLY A 96 52.035 -10.408 3.106 1.00 12.14 H ATOM 1332 N ILE A 97 51.206 -10.174 0.169 1.00 8.39 N ANISOU 1332 N ILE A 97 1462 1040 687 105 -134 -136 N ATOM 1333 CA ILE A 97 51.605 -10.096 -1.238 1.00 8.01 C ANISOU 1333 CA ILE A 97 1394 918 733 100 -176 -76 C ATOM 1334 C ILE A 97 50.632 -9.179 -1.966 1.00 8.07 C ANISOU 1334 C ILE A 97 1432 931 702 109 -241 -36 C ATOM 1335 O ILE A 97 49.422 -9.436 -1.980 1.00 8.06 O ANISOU 1335 O ILE A 97 1423 940 698 93 -333 -150 O ATOM 1336 CB ILE A 97 51.646 -11.474 -1.922 1.00 8.58 C ANISOU 1336 CB ILE A 97 1587 849 824 309 -156 -76 C ATOM 1337 CG1 ILE A 97 52.623 -12.409 -1.215 1.00 9.17 C ANISOU 1337 CG1 ILE A 97 1532 902 1049 314 -130 -40 C ATOM 1338 CG2 ILE A 97 52.023 -11.300 -3.399 1.00 8.65 C ANISOU 1338 CG2 ILE A 97 1678 813 794 325 -182 -102 C ATOM 1339 CD1 ILE A 97 52.714 -13.803 -1.846 1.00 11.27 C ANISOU 1339 CD1 ILE A 97 2055 1037 1189 396 -177 -36 C ATOM 1340 H ILE A 97 50.412 -10.482 0.283 1.00 10.07 H ATOM 1341 HA ILE A 97 52.490 -9.704 -1.296 1.00 9.62 H ATOM 1342 HB ILE A 97 50.760 -11.866 -1.877 1.00 10.30 H ATOM 1343 HG12 ILE A 97 53.508 -12.014 -1.240 1.00 11.00 H ATOM 1344 HG13 ILE A 97 52.338 -12.519 -0.294 1.00 11.00 H ATOM 1345 HG21 ILE A 97 52.047 -12.172 -3.823 1.00 10.37 H ATOM 1346 HG22 ILE A 97 51.359 -10.740 -3.830 1.00 10.37 H ATOM 1347 HG23 ILE A 97 52.896 -10.881 -3.454 1.00 10.37 H ATOM 1348 HD11 ILE A 97 53.350 -14.336 -1.344 1.00 13.52 H ATOM 1349 HD12 ILE A 97 51.838 -14.220 -1.819 1.00 13.52 H ATOM 1350 HD13 ILE A 97 53.009 -13.714 -2.766 1.00 13.52 H ATOM 1351 N SER A 98 51.162 -8.149 -2.599 1.00 7.61 N ANISOU 1351 N SER A 98 1308 926 657 167 -332 87 N ATOM 1352 CA SER A 98 50.339 -7.235 -3.389 1.00 9.04 C ANISOU 1352 CA SER A 98 1675 1032 728 135 -377 91 C ATOM 1353 C SER A 98 50.169 -7.766 -4.806 1.00 9.26 C ANISOU 1353 C SER A 98 1640 1136 743 202 -288 74 C ATOM 1354 O SER A 98 51.162 -8.103 -5.454 1.00 9.93 O ANISOU 1354 O SER A 98 1646 1296 832 62 -241 -5 O ATOM 1355 CB SER A 98 50.998 -5.874 -3.477 1.00 10.23 C ANISOU 1355 CB SER A 98 1899 1086 903 143 -253 161 C ATOM 1356 OG SER A 98 50.208 -5.022 -4.291 1.00 10.40 O ANISOU 1356 OG SER A 98 1899 1087 965 287 -281 197 O ATOM 1357 H SER A 98 51.999 -7.951 -2.591 1.00 9.13 H ATOM 1358 HA SER A 98 49.465 -7.137 -2.981 1.00 10.85 H ATOM 1359 HB2 SER A 98 51.068 -5.494 -2.588 1.00 12.28 H ATOM 1360 HB3 SER A 98 51.879 -5.970 -3.873 1.00 12.28 H ATOM 1361 HG SER A 98 50.567 -4.264 -4.345 1.00 12.48 H ATOM 1362 N PRO A 99 48.955 -7.795 -5.339 1.00 8.64 N ANISOU 1362 N PRO A 99 1426 1122 735 183 -373 -11 N ATOM 1363 CA PRO A 99 48.778 -8.146 -6.747 1.00 9.27 C ANISOU 1363 CA PRO A 99 1649 1084 789 57 -352 -108 C ATOM 1364 C PRO A 99 49.328 -7.074 -7.663 1.00 8.58 C ANISOU 1364 C PRO A 99 1504 951 805 81 -131 -189 C ATOM 1365 O PRO A 99 49.497 -5.913 -7.258 1.00 9.07 O ANISOU 1365 O PRO A 99 1737 915 793 -86 -73 -215 O ATOM 1366 CB PRO A 99 47.257 -8.244 -6.897 1.00 9.84 C ANISOU 1366 CB PRO A 99 1631 1181 928 -136 -339 -161 C ATOM 1367 CG PRO A 99 46.751 -8.488 -5.546 1.00 10.23 C ANISOU 1367 CG PRO A 99 1660 1271 957 -88 -356 -153 C ATOM 1368 CD PRO A 99 47.663 -7.719 -4.636 1.00 8.99 C ANISOU 1368 CD PRO A 99 1357 1189 870 119 -462 -72 C ATOM 1369 HA PRO A 99 49.189 -9.001 -6.948 1.00 11.12 H ATOM 1370 HB2 PRO A 99 46.909 -7.410 -7.248 1.00 11.81 H ATOM 1371 HB3 PRO A 99 47.034 -8.983 -7.485 1.00 11.81 H ATOM 1372 HG2 PRO A 99 45.840 -8.161 -5.474 1.00 12.28 H ATOM 1373 HG3 PRO A 99 46.791 -9.437 -5.349 1.00 12.28 H ATOM 1374 HD2 PRO A 99 47.370 -6.797 -4.560 1.00 10.79 H ATOM 1375 HD3 PRO A 99 47.721 -8.149 -3.768 1.00 10.79 H ATOM 1376 N PRO A 100 49.594 -7.424 -8.913 1.00 9.09 N ANISOU 1376 N PRO A 100 1780 900 774 177 -134 -183 N ATOM 1377 CA PRO A 100 50.011 -6.422 -9.896 1.00 10.20 C ANISOU 1377 CA PRO A 100 2049 968 858 222 -2 -129 C ATOM 1378 C PRO A 100 48.918 -5.398 -10.151 1.00 9.34 C ANISOU 1378 C PRO A 100 1840 894 816 107 -200 -145 C ATOM 1379 O PRO A 100 47.731 -5.647 -9.941 1.00 9.41 O ANISOU 1379 O PRO A 100 1793 920 864 330 -239 -17 O ATOM 1380 CB PRO A 100 50.277 -7.250 -11.157 1.00 11.74 C ANISOU 1380 CB PRO A 100 2402 1074 986 263 176 -104 C ATOM 1381 CG PRO A 100 50.345 -8.615 -10.737 1.00 11.78 C ANISOU 1381 CG PRO A 100 2392 1080 1005 -18 124 -153 C ATOM 1382 CD PRO A 100 49.607 -8.782 -9.475 1.00 10.13 C ANISOU 1382 CD PRO A 100 2032 966 850 135 -135 -187 C ATOM 1383 HA PRO A 100 50.825 -5.976 -9.614 1.00 12.24 H ATOM 1384 HB2 PRO A 100 49.549 -7.124 -11.786 1.00 14.09 H ATOM 1385 HB3 PRO A 100 51.119 -6.974 -11.553 1.00 14.09 H ATOM 1386 HG2 PRO A 100 49.951 -9.174 -11.425 1.00 14.14 H ATOM 1387 HG3 PRO A 100 51.275 -8.858 -10.609 1.00 14.14 H ATOM 1388 HD2 PRO A 100 48.702 -9.086 -9.649 1.00 12.15 H ATOM 1389 HD3 PRO A 100 50.080 -9.389 -8.884 1.00 12.15 H ATOM 1390 N CYS A 101 49.349 -4.235 -10.636 1.00 9.84 N ANISOU 1390 N CYS A 101 1975 957 807 105 -485 -126 N ATOM 1391 CA CYS A 101 48.444 -3.140 -10.960 1.00 11.15 C ANISOU 1391 CA CYS A 101 2128 1136 971 97 -524 -67 C ATOM 1392 C CYS A 101 47.487 -3.528 -12.075 1.00 11.85 C ANISOU 1392 C CYS A 101 2132 1354 1015 246 -544 -168 C ATOM 1393 O CYS A 101 47.860 -4.213 -13.034 1.00 12.21 O ANISOU 1393 O CYS A 101 2165 1532 941 324 -630 -265 O ATOM 1394 CB CYS A 101 49.284 -1.944 -11.406 1.00 12.30 C ANISOU 1394 CB CYS A 101 2359 1142 1174 -3 -547 1 C ATOM 1395 SG CYS A 101 48.381 -0.412 -11.742 1.00 13.70 S ANISOU 1395 SG CYS A 101 2616 1209 1379 99 -466 27 S ATOM 1396 H CYS A 101 50.176 -4.056 -10.788 1.00 11.81 H ATOM 1397 HA CYS A 101 47.931 -2.891 -10.176 1.00 13.38 H ATOM 1398 HB2 CYS A 101 49.932 -1.751 -10.711 1.00 14.76 H ATOM 1399 HB3 CYS A 101 49.751 -2.188 -12.221 1.00 14.76 H ATOM 1400 N THR A 102 46.247 -3.071 -11.950 1.00 13.16 N ANISOU 1400 N THR A 102 2451 1419 1130 417 -632 -68 N ATOM 1401 CA THR A 102 45.283 -3.104 -13.042 1.00 15.21 C ANISOU 1401 CA THR A 102 2751 1592 1435 510 -682 -58 C ATOM 1402 C THR A 102 44.806 -1.686 -13.314 1.00 17.93 C ANISOU 1402 C THR A 102 3309 1903 1601 725 -500 143 C ATOM 1403 O THR A 102 44.506 -0.934 -12.385 1.00 17.98 O ANISOU 1403 O THR A 102 3389 1859 1582 690 -428 146 O ATOM 1404 CB THR A 102 44.083 -3.989 -12.709 1.00 16.13 C ANISOU 1404 CB THR A 102 2888 1529 1712 447 -717 -163 C ATOM 1405 OG1 THR A 102 43.494 -3.554 -11.475 1.00 16.46 O ANISOU 1405 OG1 THR A 102 2861 1537 1855 541 -569 -253 O ATOM 1406 CG2 THR A 102 44.514 -5.430 -12.603 1.00 16.54 C ANISOU 1406 CG2 THR A 102 2931 1462 1890 222 -773 -170 C ATOM 1407 H THR A 102 45.933 -2.729 -11.225 1.00 15.79 H ATOM 1408 HA THR A 102 45.710 -3.448 -13.843 1.00 18.25 H ATOM 1409 HB THR A 102 43.426 -3.919 -13.420 1.00 19.36 H ATOM 1410 HG1 THR A 102 43.239 -2.757 -11.544 1.00 19.75 H ATOM 1411 HG21 THR A 102 43.751 -5.990 -12.391 1.00 19.84 H ATOM 1412 HG22 THR A 102 44.897 -5.724 -13.444 1.00 19.84 H ATOM 1413 HG23 THR A 102 45.179 -5.526 -11.903 1.00 19.84 H ATOM 1414 N THR A 103 44.750 -1.312 -14.587 1.00 20.42 N ANISOU 1414 N THR A 103 3626 2262 1869 1030 -434 327 N ATOM 1415 CA THR A 103 44.323 0.029 -14.966 1.00 24.01 C ANISOU 1415 CA THR A 103 4272 2693 2158 1078 -209 327 C ATOM 1416 C THR A 103 42.892 0.169 -15.304 1.00 24.59 C ANISOU 1416 C THR A 103 4453 2767 2125 1106 -259 145 C ATOM 1417 O THR A 103 42.409 1.260 -15.169 1.00 26.03 O ANISOU 1417 O THR A 103 4797 2846 2249 1139 -230 117 O ATOM 1418 CB THR A 103 45.181 0.546 -16.097 1.00 26.95 C ANISOU 1418 CB THR A 103 4744 3029 2465 1014 -7 395 C ATOM 1419 OG1 THR A 103 45.203 -0.444 -17.113 1.00 28.47 O ANISOU 1419 OG1 THR A 103 5158 3146 2515 959 104 432 O ATOM 1420 CG2 THR A 103 46.571 0.779 -15.565 0.69 27.98 C ANISOU 1420 CG2 THR A 103 4854 3149 2628 950 36 409 C ATOM 1421 H THR A 103 44.955 -1.818 -15.252 1.00 24.50 H ATOM 1422 HA THR A 103 44.486 0.617 -14.199 1.00 28.81 H ATOM 1423 HB THR A 103 44.823 1.378 -16.442 1.00 32.33 H ATOM 1424 HG1 THR A 103 45.430 -0.109 -17.826 1.00 34.17 H ATOM 1425 HG21 THR A 103 47.150 1.068 -16.273 0.00 33.58 H ATOM 1426 HG22 THR A 103 46.551 1.454 -14.882 0.00 33.58 H ATOM 1427 HG23 THR A 103 46.918 -0.033 -15.189 0.00 33.58 H ATOM 1428 N SER A 104 42.175 -0.903 -15.579 1.00 23.74 N ANISOU 1428 N SER A 104 4317 2745 1958 1039 -387 -70 N ATOM 1429 CA SER A 104 40.783 -0.848 -15.999 1.00 23.22 C ANISOU 1429 CA SER A 104 4146 2743 1933 884 -441 -249 C ATOM 1430 C SER A 104 39.856 -1.303 -14.878 1.00 20.77 C ANISOU 1430 C SER A 104 3723 2317 1853 625 -754 -341 C ATOM 1431 O SER A 104 40.262 -1.999 -13.945 1.00 21.05 O ANISOU 1431 O SER A 104 3940 2171 1886 656 -815 -313 O ATOM 1432 CB SER A 104 40.567 -1.734 -17.229 1.00 25.36 C ANISOU 1432 CB SER A 104 4505 3122 2010 835 -223 -276 C ATOM 1433 OG SER A 104 41.272 -1.217 -18.346 1.00 26.97 O ANISOU 1433 OG SER A 104 4691 3419 2138 824 -81 -301 O ATOM 1434 H SER A 104 42.495 -1.701 -15.554 1.00 28.49 H ATOM 1435 HA SER A 104 40.553 0.064 -16.234 1.00 27.86 H ATOM 1436 HB2 SER A 104 40.891 -2.628 -17.037 1.00 30.44 H ATOM 1437 HB3 SER A 104 39.620 -1.761 -17.438 1.00 30.44 H ATOM 1438 HG SER A 104 41.148 -1.709 -19.016 1.00 32.37 H ATOM 1439 N GLY A 105 38.597 -0.875 -14.971 1.00 19.11 N ANISOU 1439 N GLY A 105 3418 2075 1769 275 -975 -455 N ATOM 1440 CA GLY A 105 37.568 -1.316 -14.054 1.00 18.17 C ANISOU 1440 CA GLY A 105 3266 1922 1715 13 -1039 -478 C ATOM 1441 C GLY A 105 37.470 -0.553 -12.751 1.00 17.46 C ANISOU 1441 C GLY A 105 3159 1813 1662 -286 -827 -381 C ATOM 1442 O GLY A 105 36.813 -1.037 -11.819 1.00 19.84 O ANISOU 1442 O GLY A 105 3621 2050 1866 -688 -731 -337 O ATOM 1443 H GLY A 105 38.318 -0.323 -15.568 1.00 22.94 H ATOM 1444 HA2 GLY A 105 36.708 -1.253 -14.498 1.00 21.80 H ATOM 1445 HA3 GLY A 105 37.723 -2.249 -13.838 1.00 21.80 H ATOM 1446 N HIS A 106 38.084 0.617 -12.646 1.00 14.07 N ANISOU 1446 N HIS A 106 2460 1505 1381 12 -894 -347 N ATOM 1447 CA HIS A 106 38.076 1.364 -11.403 1.00 11.95 C ANISOU 1447 CA HIS A 106 2062 1317 1162 283 -765 -277 C ATOM 1448 C HIS A 106 37.335 2.684 -11.589 1.00 12.39 C ANISOU 1448 C HIS A 106 2216 1407 1084 423 -737 -140 C ATOM 1449 O HIS A 106 37.132 3.161 -12.707 1.00 13.79 O ANISOU 1449 O HIS A 106 2535 1586 1118 627 -658 18 O ATOM 1450 CB HIS A 106 39.505 1.603 -10.918 1.00 10.97 C ANISOU 1450 CB HIS A 106 1793 1185 1192 335 -689 -255 C ATOM 1451 CG HIS A 106 40.336 0.356 -10.876 1.00 11.34 C ANISOU 1451 CG HIS A 106 2045 1062 1203 292 -727 -361 C ATOM 1452 ND1 HIS A 106 39.988 -0.750 -10.127 1.00 11.25 N ANISOU 1452 ND1 HIS A 106 2085 987 1204 128 -558 -417 N ATOM 1453 CD2 HIS A 106 41.487 0.033 -11.511 1.00 11.65 C ANISOU 1453 CD2 HIS A 106 2071 1066 1290 245 -721 -321 C ATOM 1454 CE1 HIS A 106 40.901 -1.695 -10.287 1.00 11.94 C ANISOU 1454 CE1 HIS A 106 2231 1028 1279 -59 -561 -387 C ATOM 1455 NE2 HIS A 106 41.821 -1.247 -11.123 1.00 12.05 N ANISOU 1455 NE2 HIS A 106 2259 1027 1292 41 -670 -347 N ATOM 1456 N THR A 107 36.926 3.265 -10.469 1.00 10.59 N ANISOU 1456 N THR A 107 1774 1263 986 184 -698 -181 N ATOM 1457 CA THR A 107 36.076 4.450 -10.415 1.00 10.04 C ANISOU 1457 CA THR A 107 1486 1310 1020 -70 -693 -88 C ATOM 1458 C THR A 107 36.810 5.512 -9.607 1.00 8.54 C ANISOU 1458 C THR A 107 1241 1206 799 -121 -549 -27 C ATOM 1459 O THR A 107 37.295 5.226 -8.510 1.00 8.46 O ANISOU 1459 O THR A 107 1239 1198 779 -11 -549 -39 O ATOM 1460 CB THR A 107 34.766 4.090 -9.707 1.00 11.93 C ANISOU 1460 CB THR A 107 1798 1433 1303 -273 -810 -130 C ATOM 1461 OG1 THR A 107 34.091 3.047 -10.426 1.00 13.63 O ANISOU 1461 OG1 THR A 107 2147 1527 1506 -416 -864 -193 O ATOM 1462 CG2 THR A 107 33.859 5.303 -9.593 1.00 12.98 C ANISOU 1462 CG2 THR A 107 2019 1465 1447 -221 -663 -93 C ATOM 1463 H THR A 107 37.139 2.975 -9.688 1.00 12.71 H ATOM 1464 HA THR A 107 35.889 4.783 -11.307 1.00 12.05 H ATOM 1465 HB THR A 107 34.966 3.779 -8.811 1.00 14.32 H ATOM 1466 HG1 THR A 107 33.372 2.850 -10.038 1.00 16.36 H ATOM 1467 HG21 THR A 107 33.034 5.059 -9.143 1.00 15.57 H ATOM 1468 HG22 THR A 107 34.301 6.001 -9.084 1.00 15.57 H ATOM 1469 HG23 THR A 107 33.647 5.643 -10.476 1.00 15.57 H ATOM 1470 N VAL A 108 36.892 6.728 -10.136 1.00 8.35 N ANISOU 1470 N VAL A 108 1279 1181 714 -221 -488 122 N ATOM 1471 CA VAL A 108 37.612 7.806 -9.459 1.00 7.90 C ANISOU 1471 CA VAL A 108 1141 1164 697 -118 -430 100 C ATOM 1472 C VAL A 108 36.764 8.316 -8.306 1.00 7.93 C ANISOU 1472 C VAL A 108 949 1251 814 -39 -431 46 C ATOM 1473 O VAL A 108 35.656 8.809 -8.517 1.00 9.75 O ANISOU 1473 O VAL A 108 1327 1451 927 204 -479 61 O ATOM 1474 CB VAL A 108 37.965 8.948 -10.421 1.00 8.76 C ANISOU 1474 CB VAL A 108 1428 1187 714 -152 -156 106 C ATOM 1475 CG1 VAL A 108 38.713 10.066 -9.682 1.00 9.32 C ANISOU 1475 CG1 VAL A 108 1634 1182 727 -143 -240 124 C ATOM 1476 CG2 VAL A 108 38.820 8.439 -11.572 1.00 9.16 C ANISOU 1476 CG2 VAL A 108 1495 1248 737 -222 148 111 C ATOM 1477 H VAL A 108 36.540 6.957 -10.887 1.00 10.02 H ATOM 1478 HA VAL A 108 38.439 7.454 -9.093 1.00 9.48 H ATOM 1479 HB VAL A 108 37.149 9.320 -10.790 1.00 10.51 H ATOM 1480 HG11 VAL A 108 38.924 10.774 -10.311 1.00 11.19 H ATOM 1481 HG12 VAL A 108 38.146 10.410 -8.974 1.00 11.19 H ATOM 1482 HG13 VAL A 108 39.530 9.704 -9.305 1.00 11.19 H ATOM 1483 HG21 VAL A 108 39.027 9.180 -12.163 1.00 10.99 H ATOM 1484 HG22 VAL A 108 39.638 8.061 -11.215 1.00 10.99 H ATOM 1485 HG23 VAL A 108 38.325 7.759 -12.056 1.00 10.99 H ATOM 1486 N GLY A 109 37.311 8.242 -7.091 1.00 8.13 N ANISOU 1486 N GLY A 109 1196 1141 752 -25 -432 -36 N ATOM 1487 CA GLY A 109 36.619 8.694 -5.900 1.00 8.76 C ANISOU 1487 CA GLY A 109 1402 1099 826 56 -306 -41 C ATOM 1488 C GLY A 109 37.069 10.051 -5.385 1.00 8.55 C ANISOU 1488 C GLY A 109 1312 1028 907 91 -286 -55 C ATOM 1489 O GLY A 109 36.347 10.683 -4.608 1.00 9.83 O ANISOU 1489 O GLY A 109 1583 1038 1113 218 -348 -206 O ATOM 1490 H GLY A 109 38.096 7.927 -6.936 1.00 9.76 H ATOM 1491 HA2 GLY A 109 35.668 8.744 -6.087 1.00 10.51 H ATOM 1492 HA3 GLY A 109 36.752 8.045 -5.192 1.00 10.51 H ATOM 1493 N ALA A 110 38.257 10.503 -5.778 1.00 7.17 N ANISOU 1493 N ALA A 110 1162 862 699 67 -278 -30 N ATOM 1494 CA ALA A 110 38.778 11.786 -5.334 1.00 7.54 C ANISOU 1494 CA ALA A 110 1439 852 573 128 -400 -18 C ATOM 1495 C ALA A 110 39.889 12.188 -6.288 1.00 6.86 C ANISOU 1495 C ALA A 110 1232 827 546 161 -385 -44 C ATOM 1496 O ALA A 110 40.488 11.343 -6.958 1.00 7.67 O ANISOU 1496 O ALA A 110 1395 863 658 232 -200 -148 O ATOM 1497 CB ALA A 110 39.313 11.716 -3.892 1.00 8.08 C ANISOU 1497 CB ALA A 110 1643 847 579 228 -352 1 C ATOM 1498 H ALA A 110 38.785 10.078 -6.307 1.00 8.60 H ATOM 1499 HA ALA A 110 38.077 12.455 -5.374 1.00 9.05 H ATOM 1500 HB1 ALA A 110 39.649 12.590 -3.638 1.00 9.69 H ATOM 1501 HB2 ALA A 110 38.591 11.454 -3.300 1.00 9.69 H ATOM 1502 HB3 ALA A 110 40.028 11.062 -3.853 1.00 9.69 H ATOM 1503 N THR A 111 40.174 13.489 -6.326 1.00 6.58 N ANISOU 1503 N THR A 111 1116 829 556 60 -329 -4 N ATOM 1504 CA THR A 111 41.324 14.016 -7.048 1.00 7.14 C ANISOU 1504 CA THR A 111 1246 898 568 5 -414 -24 C ATOM 1505 C THR A 111 42.076 14.979 -6.144 1.00 7.29 C ANISOU 1505 C THR A 111 1300 859 612 117 -440 -91 C ATOM 1506 O THR A 111 41.461 15.767 -5.422 1.00 7.61 O ANISOU 1506 O THR A 111 1319 926 645 118 -393 -120 O ATOM 1507 CB THR A 111 40.887 14.741 -8.347 1.00 8.30 C ANISOU 1507 CB THR A 111 1447 1082 625 9 -454 13 C ATOM 1508 OG1 THR A 111 40.315 13.794 -9.252 1.00 9.45 O ANISOU 1508 OG1 THR A 111 1660 1237 695 76 -493 64 O ATOM 1509 CG2 THR A 111 42.059 15.416 -9.044 1.00 9.67 C ANISOU 1509 CG2 THR A 111 1777 1247 651 23 -419 -70 C ATOM 1510 H THR A 111 39.705 14.094 -5.934 1.00 7.90 H ATOM 1511 HA THR A 111 41.918 13.288 -7.286 1.00 8.57 H ATOM 1512 HB THR A 111 40.228 15.419 -8.132 1.00 9.96 H ATOM 1513 HG1 THR A 111 39.644 13.430 -8.901 1.00 11.34 H ATOM 1514 HG21 THR A 111 41.753 15.859 -9.851 1.00 11.61 H ATOM 1515 HG22 THR A 111 42.460 16.074 -8.455 1.00 11.61 H ATOM 1516 HG23 THR A 111 42.728 14.755 -9.281 1.00 11.61 H ATOM 1517 N ILE A 112 43.402 14.904 -6.187 1.00 7.47 N ANISOU 1517 N ILE A 112 1341 873 625 -35 -389 -180 N ATOM 1518 CA ILE A 112 44.266 15.850 -5.496 1.00 7.01 C ANISOU 1518 CA ILE A 112 1174 865 624 -1 -433 -118 C ATOM 1519 C ILE A 112 45.127 16.564 -6.526 1.00 7.16 C ANISOU 1519 C ILE A 112 1254 837 628 16 -452 -74 C ATOM 1520 O ILE A 112 45.329 16.085 -7.646 1.00 8.06 O ANISOU 1520 O ILE A 112 1632 858 574 21 -360 -92 O ATOM 1521 CB ILE A 112 45.145 15.191 -4.407 1.00 7.30 C ANISOU 1521 CB ILE A 112 1283 937 554 -23 -396 -54 C ATOM 1522 CG1 ILE A 112 46.173 14.225 -5.014 1.00 7.13 C ANISOU 1522 CG1 ILE A 112 1241 897 570 10 -389 -46 C ATOM 1523 CG2 ILE A 112 44.253 14.468 -3.389 1.00 8.15 C ANISOU 1523 CG2 ILE A 112 1497 1045 554 -63 -316 114 C ATOM 1524 CD1 ILE A 112 47.216 13.764 -4.037 1.00 7.29 C ANISOU 1524 CD1 ILE A 112 1413 774 582 142 -409 -18 C ATOM 1525 H ILE A 112 43.833 14.299 -6.621 1.00 8.97 H ATOM 1526 HA ILE A 112 43.711 16.517 -5.062 1.00 8.41 H ATOM 1527 HB ILE A 112 45.627 15.892 -3.942 1.00 8.76 H ATOM 1528 HG12 ILE A 112 45.709 13.440 -5.345 1.00 8.55 H ATOM 1529 HG13 ILE A 112 46.628 14.671 -5.746 1.00 8.55 H ATOM 1530 HG21 ILE A 112 44.814 14.059 -2.712 1.00 9.78 H ATOM 1531 HG22 ILE A 112 43.655 15.113 -2.979 1.00 9.78 H ATOM 1532 HG23 ILE A 112 43.738 13.786 -3.849 1.00 9.78 H ATOM 1533 HD11 ILE A 112 47.827 13.161 -4.488 1.00 8.75 H ATOM 1534 HD12 ILE A 112 47.699 14.537 -3.703 1.00 8.75 H ATOM 1535 HD13 ILE A 112 46.779 13.305 -3.303 1.00 8.75 H ATOM 1536 N THR A 113 45.607 17.751 -6.161 1.00 7.33 N ANISOU 1536 N THR A 113 1400 779 607 -15 -438 -37 N ATOM 1537 CA THR A 113 46.414 18.559 -7.063 1.00 8.64 C ANISOU 1537 CA THR A 113 1631 875 778 -249 -498 31 C ATOM 1538 C THR A 113 47.866 18.694 -6.629 1.00 9.12 C ANISOU 1538 C THR A 113 1782 962 723 -86 -501 119 C ATOM 1539 O THR A 113 48.694 19.171 -7.413 1.00 9.79 O ANISOU 1539 O THR A 113 1885 1102 733 -241 -496 135 O ATOM 1540 CB THR A 113 45.813 19.964 -7.187 1.00 10.26 C ANISOU 1540 CB THR A 113 1951 996 950 5 -700 31 C ATOM 1541 OG1 THR A 113 45.704 20.524 -5.877 1.00 11.52 O ANISOU 1541 OG1 THR A 113 2387 942 1047 147 -716 -37 O ATOM 1542 CG2 THR A 113 44.434 19.914 -7.861 1.00 11.59 C ANISOU 1542 CG2 THR A 113 2172 1182 1048 -38 -724 45 C ATOM 1543 H THR A 113 45.477 18.111 -5.391 1.00 8.80 H ATOM 1544 HA THR A 113 46.404 18.151 -7.943 1.00 10.37 H ATOM 1545 HB THR A 113 46.398 20.518 -7.727 1.00 12.31 H ATOM 1546 HG1 THR A 113 45.375 21.296 -5.921 1.00 13.82 H ATOM 1547 HG21 THR A 113 44.068 20.809 -7.932 1.00 13.90 H ATOM 1548 HG22 THR A 113 44.514 19.534 -8.750 1.00 13.90 H ATOM 1549 HG23 THR A 113 43.829 19.366 -7.337 1.00 13.90 H ATOM 1550 N GLY A 114 48.192 18.307 -5.410 1.00 7.87 N ANISOU 1550 N GLY A 114 1450 885 657 -19 -473 77 N ATOM 1551 CA GLY A 114 49.545 18.445 -4.921 1.00 7.82 C ANISOU 1551 CA GLY A 114 1459 899 614 -55 -420 55 C ATOM 1552 C GLY A 114 49.591 18.030 -3.472 1.00 7.19 C ANISOU 1552 C GLY A 114 1384 823 526 124 -355 -76 C ATOM 1553 O GLY A 114 48.665 17.389 -2.976 1.00 7.15 O ANISOU 1553 O GLY A 114 1357 897 461 113 -282 -71 O ATOM 1554 H GLY A 114 47.644 17.960 -4.845 1.00 9.45 H ATOM 1555 HA2 GLY A 114 50.145 17.881 -5.433 1.00 9.39 H ATOM 1556 HA3 GLY A 114 49.835 19.368 -4.996 1.00 9.39 H ATOM 1557 N HIS A 115 50.671 18.396 -2.786 1.00 6.82 N ANISOU 1557 N HIS A 115 1318 760 514 140 -353 -54 N ATOM 1558 CA HIS A 115 50.769 18.124 -1.358 1.00 6.44 C ANISOU 1558 CA HIS A 115 1202 700 544 -41 -396 27 C ATOM 1559 C HIS A 115 51.719 19.132 -0.739 1.00 6.91 C ANISOU 1559 C HIS A 115 1337 756 533 158 -288 -1 C ATOM 1560 O HIS A 115 52.551 19.739 -1.420 1.00 7.72 O ANISOU 1560 O HIS A 115 1433 916 583 51 -258 -6 O ATOM 1561 CB HIS A 115 51.252 16.690 -1.064 1.00 6.77 C ANISOU 1561 CB HIS A 115 1173 668 732 -101 -361 92 C ATOM 1562 CG HIS A 115 52.718 16.495 -1.287 1.00 7.66 C ANISOU 1562 CG HIS A 115 1225 792 892 59 -214 161 C ATOM 1563 ND1 HIS A 115 53.270 16.306 -2.538 1.00 9.05 N ANISOU 1563 ND1 HIS A 115 1329 1032 1077 138 14 142 N ATOM 1564 CD2 HIS A 115 53.751 16.486 -0.410 1.00 8.66 C ANISOU 1564 CD2 HIS A 115 1288 897 1107 12 -391 77 C ATOM 1565 CE1 HIS A 115 54.581 16.173 -2.416 1.00 10.06 C ANISOU 1565 CE1 HIS A 115 1452 1202 1170 128 -56 120 C ATOM 1566 NE2 HIS A 115 54.897 16.283 -1.136 1.00 10.01 N ANISOU 1566 NE2 HIS A 115 1472 1126 1204 -66 -274 118 N ATOM 1567 N VAL A 116 51.575 19.298 0.567 1.00 7.31 N ANISOU 1567 N VAL A 116 1486 769 521 -31 -326 -65 N ATOM 1568 CA VAL A 116 52.415 20.183 1.363 1.00 7.85 C ANISOU 1568 CA VAL A 116 1443 897 642 -170 -436 -43 C ATOM 1569 C VAL A 116 53.208 19.354 2.355 1.00 7.82 C ANISOU 1569 C VAL A 116 1320 966 685 -199 -380 36 C ATOM 1570 O VAL A 116 52.714 18.354 2.883 1.00 8.33 O ANISOU 1570 O VAL A 116 1237 1126 801 -242 -525 213 O ATOM 1571 CB VAL A 116 51.591 21.253 2.107 1.00 8.83 C ANISOU 1571 CB VAL A 116 1498 1058 800 -92 -505 -140 C ATOM 1572 CG1 VAL A 116 50.863 22.153 1.127 1.00 9.51 C ANISOU 1572 CG1 VAL A 116 1678 1051 884 16 -591 -49 C ATOM 1573 CG2 VAL A 116 50.612 20.641 3.077 1.00 10.70 C ANISOU 1573 CG2 VAL A 116 1838 1225 1002 -110 -279 -252 C ATOM 1574 H VAL A 116 50.976 18.893 1.033 1.00 8.77 H ATOM 1575 HA VAL A 116 53.042 20.637 0.778 1.00 9.42 H ATOM 1576 HB VAL A 116 52.199 21.810 2.618 1.00 10.60 H ATOM 1577 HG11 VAL A 116 50.355 22.813 1.623 1.00 11.41 H ATOM 1578 HG12 VAL A 116 51.514 22.593 0.560 1.00 11.41 H ATOM 1579 HG13 VAL A 116 50.265 21.612 0.587 1.00 11.41 H ATOM 1580 HG21 VAL A 116 50.119 21.350 3.518 1.00 12.84 H ATOM 1581 HG22 VAL A 116 50.000 20.067 2.588 1.00 12.84 H ATOM 1582 HG23 VAL A 116 51.102 20.120 3.733 1.00 12.84 H ATOM 1583 N GLU A 117 54.433 19.783 2.605 1.00 7.55 N ANISOU 1583 N GLU A 117 1293 883 694 -323 -431 62 N ATOM 1584 CA GLU A 117 55.311 19.162 3.579 1.00 9.17 C ANISOU 1584 CA GLU A 117 1457 1086 942 -240 -447 112 C ATOM 1585 C GLU A 117 55.485 20.176 4.698 1.00 9.61 C ANISOU 1585 C GLU A 117 1695 995 962 -310 -579 171 C ATOM 1586 O GLU A 117 55.942 21.294 4.454 1.00 11.45 O ANISOU 1586 O GLU A 117 2230 1123 999 -753 -433 101 O ATOM 1587 CB GLU A 117 56.619 18.759 2.889 1.00 11.17 C ANISOU 1587 CB GLU A 117 1615 1361 1268 -77 -337 85 C ATOM 1588 CG GLU A 117 56.352 17.731 1.768 1.00 12.48 C ANISOU 1588 CG GLU A 117 1595 1568 1580 144 -259 55 C ATOM 1589 CD GLU A 117 57.585 17.214 1.036 1.00 14.45 C ANISOU 1589 CD GLU A 117 1698 1826 1967 49 -265 -12 C ATOM 1590 OE1 GLU A 117 57.399 16.511 0.017 1.00 14.03 O ANISOU 1590 OE1 GLU A 117 1479 1828 2022 -139 -170 44 O ATOM 1591 OE2 GLU A 117 58.718 17.491 1.471 1.00 15.78 O ANISOU 1591 OE2 GLU A 117 1743 2013 2241 143 -344 -88 O ATOM 1592 H GLU A 117 54.790 20.458 2.209 1.00 9.06 H ATOM 1593 HA GLU A 117 54.890 18.366 3.941 1.00 11.01 H ATOM 1594 HB2 GLU A 117 57.030 19.544 2.494 1.00 13.40 H ATOM 1595 HB3 GLU A 117 57.216 18.356 3.539 1.00 13.40 H ATOM 1596 HG2 GLU A 117 55.903 16.964 2.157 1.00 14.98 H ATOM 1597 HG3 GLU A 117 55.774 18.142 1.107 1.00 14.98 H ATOM 1598 N LEU A 118 55.076 19.800 5.907 1.00 8.46 N ANISOU 1598 N LEU A 118 1402 871 941 -174 -420 214 N ATOM 1599 CA LEU A 118 54.943 20.745 7.007 1.00 8.15 C ANISOU 1599 CA LEU A 118 1192 862 1044 -179 -478 217 C ATOM 1600 C LEU A 118 56.240 20.871 7.794 1.00 7.64 C ANISOU 1600 C LEU A 118 1150 784 968 -243 -452 114 C ATOM 1601 O LEU A 118 57.088 19.974 7.769 1.00 7.55 O ANISOU 1601 O LEU A 118 1094 765 1009 -52 -299 172 O ATOM 1602 CB LEU A 118 53.826 20.294 7.949 1.00 8.10 C ANISOU 1602 CB LEU A 118 958 886 1234 -220 -501 187 C ATOM 1603 CG LEU A 118 52.426 20.260 7.333 1.00 9.57 C ANISOU 1603 CG LEU A 118 1091 1019 1525 -169 -368 154 C ATOM 1604 CD1 LEU A 118 51.411 19.786 8.392 1.00 10.89 C ANISOU 1604 CD1 LEU A 118 1401 1086 1652 -304 -427 240 C ATOM 1605 CD2 LEU A 118 51.992 21.580 6.720 1.00 10.27 C ANISOU 1605 CD2 LEU A 118 1135 1103 1663 -56 -275 129 C ATOM 1606 H LEU A 118 54.866 18.992 6.115 1.00 10.15 H ATOM 1607 HA LEU A 118 54.713 21.618 6.654 1.00 9.78 H ATOM 1608 HB2 LEU A 118 54.029 19.399 8.261 1.00 9.72 H ATOM 1609 HB3 LEU A 118 53.797 20.902 8.704 1.00 9.72 H ATOM 1610 HG LEU A 118 52.425 19.601 6.621 1.00 11.48 H ATOM 1611 HD11 LEU A 118 50.526 19.767 7.995 1.00 13.07 H ATOM 1612 HD12 LEU A 118 51.659 18.897 8.692 1.00 13.07 H ATOM 1613 HD13 LEU A 118 51.424 20.403 9.140 1.00 13.07 H ATOM 1614 HD21 LEU A 118 51.100 21.479 6.353 1.00 12.32 H ATOM 1615 HD22 LEU A 118 51.991 22.262 7.410 1.00 12.32 H ATOM 1616 HD23 LEU A 118 52.614 21.821 6.017 1.00 12.32 H ATOM 1617 N PRO A 119 56.406 21.981 8.517 1.00 8.32 N ANISOU 1617 N PRO A 119 1255 922 985 27 -471 -56 N ATOM 1618 CA PRO A 119 57.591 22.156 9.368 1.00 8.57 C ANISOU 1618 CA PRO A 119 1323 958 977 -98 -484 -22 C ATOM 1619 C PRO A 119 57.733 21.045 10.394 1.00 7.55 C ANISOU 1619 C PRO A 119 1065 908 897 -52 -521 108 C ATOM 1620 O PRO A 119 56.750 20.458 10.857 1.00 7.98 O ANISOU 1620 O PRO A 119 1040 1066 927 13 -395 182 O ATOM 1621 CB PRO A 119 57.334 23.495 10.072 1.00 10.86 C ANISOU 1621 CB PRO A 119 1921 1105 1101 130 -562 -87 C ATOM 1622 CG PRO A 119 56.327 24.188 9.240 1.00 11.01 C ANISOU 1622 CG PRO A 119 1843 1159 1183 352 -642 -197 C ATOM 1623 CD PRO A 119 55.493 23.128 8.578 1.00 9.38 C ANISOU 1623 CD PRO A 119 1472 1023 1068 324 -416 -178 C ATOM 1624 HA PRO A 119 58.396 22.216 8.831 1.00 10.29 H ATOM 1625 HB2 PRO A 119 56.989 23.333 10.964 1.00 13.03 H ATOM 1626 HB3 PRO A 119 58.157 24.006 10.110 1.00 13.03 H ATOM 1627 HG2 PRO A 119 55.773 24.748 9.806 1.00 13.22 H ATOM 1628 HG3 PRO A 119 56.778 24.728 8.572 1.00 13.22 H ATOM 1629 HD2 PRO A 119 54.718 22.916 9.123 1.00 11.25 H ATOM 1630 HD3 PRO A 119 55.237 23.406 7.685 1.00 11.25 H ATOM 1631 N GLN A 120 58.979 20.794 10.785 1.00 7.11 N ANISOU 1631 N GLN A 120 904 875 921 -247 -396 128 N ATOM 1632 CA GLN A 120 59.306 19.824 11.831 1.00 8.22 C ANISOU 1632 CA GLN A 120 1233 920 970 -221 -345 113 C ATOM 1633 C GLN A 120 59.154 20.490 13.198 1.00 7.68 C ANISOU 1633 C GLN A 120 929 1058 930 -21 -461 68 C ATOM 1634 O GLN A 120 60.115 20.762 13.923 1.00 8.39 O ANISOU 1634 O GLN A 120 1070 1148 969 -13 -360 85 O ATOM 1635 CB GLN A 120 60.710 19.296 11.626 1.00 8.72 C ANISOU 1635 CB GLN A 120 1204 950 1159 -197 -212 20 C ATOM 1636 CG GLN A 120 60.888 18.589 10.320 1.00 9.64 C ANISOU 1636 CG GLN A 120 1250 955 1456 -152 -228 -149 C ATOM 1637 CD GLN A 120 62.298 18.096 10.160 1.00 10.44 C ANISOU 1637 CD GLN A 120 1200 1036 1731 -131 -269 -306 C ATOM 1638 OE1 GLN A 120 63.239 18.821 10.471 1.00 11.89 O ANISOU 1638 OE1 GLN A 120 1200 1200 2117 -131 -178 -530 O ATOM 1639 NE2 GLN A 120 62.463 16.864 9.710 1.00 9.05 N ANISOU 1639 NE2 GLN A 120 978 1004 1458 14 -419 -289 N ATOM 1640 H GLN A 120 59.670 21.182 10.451 1.00 8.53 H ATOM 1641 HA GLN A 120 58.689 19.078 11.784 1.00 9.86 H ATOM 1642 HB2 GLN A 120 61.333 20.040 11.649 1.00 10.46 H ATOM 1643 HB3 GLN A 120 60.917 18.669 12.336 1.00 10.46 H ATOM 1644 HG2 GLN A 120 60.292 17.824 10.285 1.00 11.56 H ATOM 1645 HG3 GLN A 120 60.694 19.201 9.593 1.00 11.56 H ATOM 1646 HE21 GLN A 120 61.777 16.379 9.522 1.00 10.86 H ATOM 1647 HE22 GLN A 120 63.255 16.547 9.605 1.00 10.86 H ATOM 1648 N ASP A 121 57.900 20.763 13.536 1.00 7.46 N ANISOU 1648 N ASP A 121 809 1105 920 17 -385 -40 N ATOM 1649 CA ASP A 121 57.584 21.591 14.688 1.00 8.32 C ANISOU 1649 CA ASP A 121 993 1135 1032 -95 -407 -99 C ATOM 1650 C ASP A 121 56.172 21.227 15.106 1.00 7.32 C ANISOU 1650 C ASP A 121 985 1021 777 -52 -221 -58 C ATOM 1651 O ASP A 121 55.228 21.435 14.342 1.00 7.95 O ANISOU 1651 O ASP A 121 1175 1130 715 -219 -296 -70 O ATOM 1652 CB ASP A 121 57.694 23.055 14.308 1.00 9.87 C ANISOU 1652 CB ASP A 121 1069 1312 1370 -194 -257 -159 C ATOM 1653 CG ASP A 121 57.479 23.969 15.473 1.00 12.38 C ANISOU 1653 CG ASP A 121 1492 1571 1641 -356 -396 -381 C ATOM 1654 OD1 ASP A 121 56.334 24.110 15.916 1.00 11.12 O ANISOU 1654 OD1 ASP A 121 1286 1457 1484 -295 -428 -417 O ATOM 1655 OD2 ASP A 121 58.472 24.535 15.968 0.85 15.91 O ANISOU 1655 OD2 ASP A 121 2177 1897 1971 -457 -326 -550 O ATOM 1656 H ASP A 121 57.210 20.477 13.110 1.00 8.95 H ATOM 1657 HA ASP A 121 58.194 21.401 15.418 1.00 9.98 H ATOM 1658 HB2 ASP A 121 58.580 23.224 13.953 1.00 11.85 H ATOM 1659 HB3 ASP A 121 57.023 23.260 13.638 1.00 11.85 H ATOM 1660 N GLU A 122 56.046 20.640 16.294 1.00 6.25 N ANISOU 1660 N GLU A 122 748 923 702 -226 -305 34 N ATOM 1661 CA GLU A 122 54.768 20.128 16.747 1.00 6.71 C ANISOU 1661 CA GLU A 122 898 936 714 -14 -462 71 C ATOM 1662 C GLU A 122 53.721 21.225 16.878 1.00 7.12 C ANISOU 1662 C GLU A 122 1023 943 740 -62 -487 42 C ATOM 1663 O GLU A 122 52.553 21.006 16.543 1.00 7.57 O ANISOU 1663 O GLU A 122 1084 1000 791 -103 -436 115 O ATOM 1664 CB GLU A 122 54.955 19.370 18.054 1.00 7.62 C ANISOU 1664 CB GLU A 122 1138 1042 717 71 -453 193 C ATOM 1665 CG GLU A 122 55.634 18.027 17.858 1.00 7.42 C ANISOU 1665 CG GLU A 122 937 1101 781 127 -356 236 C ATOM 1666 CD GLU A 122 55.737 17.245 19.142 1.00 7.56 C ANISOU 1666 CD GLU A 122 1051 1091 731 36 -371 120 C ATOM 1667 OE1 GLU A 122 54.800 16.493 19.453 1.00 6.94 O ANISOU 1667 OE1 GLU A 122 939 1088 609 -91 -390 49 O ATOM 1668 OE2 GLU A 122 56.724 17.426 19.872 1.00 7.72 O ANISOU 1668 OE2 GLU A 122 925 1195 814 -66 -477 33 O ATOM 1669 H GLU A 122 56.690 20.528 16.853 1.00 7.49 H ATOM 1670 HA GLU A 122 54.442 19.495 16.089 1.00 8.05 H ATOM 1671 HB2 GLU A 122 55.505 19.900 18.651 1.00 9.15 H ATOM 1672 HB3 GLU A 122 54.086 19.211 18.455 1.00 9.15 H ATOM 1673 HG2 GLU A 122 55.121 17.501 17.225 1.00 8.90 H ATOM 1674 HG3 GLU A 122 56.532 18.172 17.521 1.00 8.90 H ATOM 1675 N ALA A 123 54.106 22.402 17.373 1.00 6.86 N ANISOU 1675 N ALA A 123 917 968 720 -260 -379 -102 N ATOM 1676 CA ALA A 123 53.128 23.478 17.485 1.00 8.10 C ANISOU 1676 CA ALA A 123 1363 958 758 -185 -393 -172 C ATOM 1677 C ALA A 123 52.636 23.931 16.117 1.00 6.47 C ANISOU 1677 C ALA A 123 873 838 749 -34 -390 -140 C ATOM 1678 O ALA A 123 51.445 24.212 15.946 1.00 7.25 O ANISOU 1678 O ALA A 123 1049 945 759 -47 -350 -159 O ATOM 1679 CB ALA A 123 53.710 24.645 18.272 1.00 8.96 C ANISOU 1679 CB ALA A 123 1511 1051 843 -151 -497 -228 C ATOM 1680 H ALA A 123 54.899 22.597 17.642 1.00 8.23 H ATOM 1681 HA ALA A 123 52.360 23.147 17.977 1.00 9.72 H ATOM 1682 HB1 ALA A 123 53.044 25.347 18.334 1.00 10.75 H ATOM 1683 HB2 ALA A 123 53.951 24.338 19.160 1.00 10.75 H ATOM 1684 HB3 ALA A 123 54.497 24.975 17.811 1.00 10.75 H ATOM 1685 N GLN A 124 53.541 24.039 15.140 1.00 7.05 N ANISOU 1685 N GLN A 124 1187 769 722 -91 -400 -101 N ATOM 1686 CA GLN A 124 53.121 24.476 13.811 1.00 7.74 C ANISOU 1686 CA GLN A 124 1252 849 838 -104 -371 102 C ATOM 1687 C GLN A 124 52.293 23.406 13.106 1.00 6.77 C ANISOU 1687 C GLN A 124 1026 817 731 -90 -282 107 C ATOM 1688 O GLN A 124 51.342 23.735 12.393 1.00 6.98 O ANISOU 1688 O GLN A 124 1018 849 784 -148 -417 138 O ATOM 1689 CB GLN A 124 54.328 24.907 12.983 1.00 9.32 C ANISOU 1689 CB GLN A 124 1336 1099 1106 -330 -238 84 C ATOM 1690 CG GLN A 124 54.951 26.193 13.524 1.00 11.59 C ANISOU 1690 CG GLN A 124 1567 1407 1429 -565 -144 -27 C ATOM 1691 CD GLN A 124 56.223 26.583 12.814 1.00 16.38 C ANISOU 1691 CD GLN A 124 2565 1889 1768 -740 -36 -48 C ATOM 1692 OE1 GLN A 124 56.307 26.527 11.596 1.00 17.49 O ANISOU 1692 OE1 GLN A 124 2789 1994 1862 -614 135 -70 O ATOM 1693 NE2 GLN A 124 57.221 27.009 13.582 1.00 20.67 N ANISOU 1693 NE2 GLN A 124 3521 2301 2030 -825 52 -41 N ATOM 1694 H GLN A 124 54.381 23.870 15.220 1.00 8.46 H ATOM 1695 HA GLN A 124 52.552 25.255 13.914 1.00 9.28 H ATOM 1696 HB2 GLN A 124 55.001 24.208 13.011 1.00 11.18 H ATOM 1697 HB3 GLN A 124 54.049 25.066 12.068 1.00 11.18 H ATOM 1698 HG2 GLN A 124 54.316 26.919 13.417 1.00 13.91 H ATOM 1699 HG3 GLN A 124 55.159 26.071 14.463 1.00 13.91 H ATOM 1700 HE21 GLN A 124 57.120 27.050 14.435 1.00 24.80 H ATOM 1701 HE22 GLN A 124 57.968 27.243 13.225 1.00 24.80 H ATOM 1702 N ILE A 125 52.625 22.124 13.303 1.00 5.90 N ANISOU 1702 N ILE A 125 934 716 591 -3 -412 39 N ATOM 1703 CA ILE A 125 51.798 21.046 12.768 1.00 5.89 C ANISOU 1703 CA ILE A 125 989 767 483 33 -319 56 C ATOM 1704 C ILE A 125 50.408 21.112 13.372 1.00 6.03 C ANISOU 1704 C ILE A 125 1119 734 437 65 -117 94 C ATOM 1705 O ILE A 125 49.404 20.997 12.662 1.00 6.40 O ANISOU 1705 O ILE A 125 1097 821 514 85 -362 44 O ATOM 1706 CB ILE A 125 52.465 19.674 13.000 1.00 6.40 C ANISOU 1706 CB ILE A 125 1165 748 517 -37 -371 -31 C ATOM 1707 CG1 ILE A 125 53.751 19.545 12.183 1.00 6.72 C ANISOU 1707 CG1 ILE A 125 1246 776 533 -9 -383 -38 C ATOM 1708 CG2 ILE A 125 51.511 18.550 12.629 1.00 7.17 C ANISOU 1708 CG2 ILE A 125 1381 737 605 -55 -421 -63 C ATOM 1709 CD1 ILE A 125 54.678 18.470 12.650 1.00 6.87 C ANISOU 1709 CD1 ILE A 125 1212 872 528 -132 -336 1 C ATOM 1710 H ILE A 125 53.318 21.859 13.738 1.00 7.08 H ATOM 1711 HA ILE A 125 51.709 21.170 11.810 1.00 7.07 H ATOM 1712 HB ILE A 125 52.687 19.593 13.941 1.00 7.67 H ATOM 1713 HG12 ILE A 125 53.515 19.350 11.262 1.00 8.07 H ATOM 1714 HG13 ILE A 125 54.231 20.386 12.225 1.00 8.07 H ATOM 1715 HG21 ILE A 125 51.951 17.699 12.783 1.00 8.60 H ATOM 1716 HG22 ILE A 125 50.715 18.616 13.180 1.00 8.60 H ATOM 1717 HG23 ILE A 125 51.273 18.635 11.692 1.00 8.60 H ATOM 1718 HD11 ILE A 125 55.462 18.459 12.078 1.00 8.25 H ATOM 1719 HD12 ILE A 125 54.938 18.654 13.566 1.00 8.25 H ATOM 1720 HD13 ILE A 125 54.221 17.616 12.601 1.00 8.25 H ATOM 1721 N ALA A 126 50.329 21.294 14.690 1.00 5.83 N ANISOU 1721 N ALA A 126 1064 763 390 5 -244 78 N ATOM 1722 CA ALA A 126 49.035 21.360 15.358 1.00 6.30 C ANISOU 1722 CA ALA A 126 1053 882 459 17 -291 66 C ATOM 1723 C ALA A 126 48.216 22.525 14.833 1.00 5.85 C ANISOU 1723 C ALA A 126 943 786 493 -21 -108 49 C ATOM 1724 O ALA A 126 47.024 22.386 14.560 1.00 6.11 O ANISOU 1724 O ALA A 126 965 916 442 -98 -177 122 O ATOM 1725 CB ALA A 126 49.222 21.471 16.870 1.00 6.78 C ANISOU 1725 CB ALA A 126 986 1057 532 -38 -167 107 C ATOM 1726 H ALA A 126 51.005 21.381 15.215 1.00 7.00 H ATOM 1727 HA ALA A 126 48.544 20.543 15.176 1.00 7.56 H ATOM 1728 HB1 ALA A 126 48.350 21.513 17.293 1.00 8.13 H ATOM 1729 HB2 ALA A 126 49.706 20.691 17.185 1.00 8.13 H ATOM 1730 HB3 ALA A 126 49.726 22.276 17.067 1.00 8.13 H ATOM 1731 N ALA A 127 48.849 23.685 14.659 1.00 5.95 N ANISOU 1731 N ALA A 127 1052 649 561 -94 -177 29 N ATOM 1732 CA ALA A 127 48.126 24.852 14.180 1.00 6.79 C ANISOU 1732 CA ALA A 127 1407 562 610 -55 -267 41 C ATOM 1733 C ALA A 127 47.612 24.632 12.768 1.00 5.92 C ANISOU 1733 C ALA A 127 1113 605 533 -30 -379 20 C ATOM 1734 O ALA A 127 46.497 25.056 12.428 1.00 6.22 O ANISOU 1734 O ALA A 127 1182 666 517 34 -235 68 O ATOM 1735 CB ALA A 127 49.026 26.087 14.235 1.00 7.37 C ANISOU 1735 CB ALA A 127 1499 540 761 -60 -408 84 C ATOM 1736 H ALA A 127 49.686 23.818 14.810 1.00 7.14 H ATOM 1737 HA ALA A 127 47.363 25.011 14.757 1.00 8.15 H ATOM 1738 HB1 ALA A 127 48.529 26.854 13.912 1.00 8.84 H ATOM 1739 HB2 ALA A 127 49.304 26.234 15.152 1.00 8.84 H ATOM 1740 HB3 ALA A 127 49.803 25.936 13.674 1.00 8.84 H ATOM 1741 N TRP A 128 48.425 24.003 11.922 1.00 5.79 N ANISOU 1741 N TRP A 128 1119 571 510 -24 -369 -23 N ATOM 1742 CA TRP A 128 48.002 23.709 10.561 1.00 5.74 C ANISOU 1742 CA TRP A 128 1047 648 486 17 -354 -19 C ATOM 1743 C TRP A 128 46.843 22.725 10.566 1.00 5.80 C ANISOU 1743 C TRP A 128 1074 645 485 34 -343 35 C ATOM 1744 O TRP A 128 45.830 22.922 9.877 1.00 5.72 O ANISOU 1744 O TRP A 128 961 709 505 38 -348 82 O ATOM 1745 CB TRP A 128 49.181 23.132 9.780 1.00 6.11 C ANISOU 1745 CB TRP A 128 947 830 544 36 -324 9 C ATOM 1746 CG TRP A 128 48.940 23.034 8.287 1.00 6.45 C ANISOU 1746 CG TRP A 128 957 820 675 0 -178 4 C ATOM 1747 CD1 TRP A 128 49.386 23.911 7.334 1.00 7.24 C ANISOU 1747 CD1 TRP A 128 1178 874 700 0 -187 32 C ATOM 1748 CD2 TRP A 128 48.230 22.001 7.571 1.00 6.76 C ANISOU 1748 CD2 TRP A 128 1044 791 732 201 -248 6 C ATOM 1749 NE1 TRP A 128 48.994 23.499 6.088 1.00 7.62 N ANISOU 1749 NE1 TRP A 128 1329 834 731 -11 -349 -14 N ATOM 1750 CE2 TRP A 128 48.290 22.329 6.198 1.00 6.60 C ANISOU 1750 CE2 TRP A 128 1050 747 711 145 -384 -77 C ATOM 1751 CE3 TRP A 128 47.562 20.836 7.954 1.00 6.40 C ANISOU 1751 CE3 TRP A 128 975 712 745 181 -246 -34 C ATOM 1752 CZ2 TRP A 128 47.696 21.547 5.210 1.00 7.08 C ANISOU 1752 CZ2 TRP A 128 1183 734 772 9 -435 -92 C ATOM 1753 CZ3 TRP A 128 46.973 20.049 6.963 1.00 6.30 C ANISOU 1753 CZ3 TRP A 128 1058 652 683 168 -272 -51 C ATOM 1754 CH2 TRP A 128 47.042 20.414 5.609 1.00 6.60 C ANISOU 1754 CH2 TRP A 128 1108 674 726 -35 -191 -52 C ATOM 1755 N LEU A 129 46.968 21.668 11.366 1.00 5.37 N ANISOU 1755 N LEU A 129 927 641 474 -34 -337 68 N ATOM 1756 CA LEU A 129 45.916 20.666 11.467 1.00 5.19 C ANISOU 1756 CA LEU A 129 797 658 518 -8 -290 56 C ATOM 1757 C LEU A 129 44.616 21.278 11.968 1.00 5.37 C ANISOU 1757 C LEU A 129 842 708 489 -113 -316 25 C ATOM 1758 O LEU A 129 43.527 20.900 11.515 1.00 5.48 O ANISOU 1758 O LEU A 129 851 733 500 -26 -207 19 O ATOM 1759 CB LEU A 129 46.395 19.547 12.394 1.00 5.61 C ANISOU 1759 CB LEU A 129 829 736 565 71 -220 -22 C ATOM 1760 CG LEU A 129 45.387 18.453 12.728 1.00 6.25 C ANISOU 1760 CG LEU A 129 957 850 567 24 -178 55 C ATOM 1761 CD1 LEU A 129 46.103 17.135 12.923 1.00 7.26 C ANISOU 1761 CD1 LEU A 129 1113 984 662 27 -113 126 C ATOM 1762 CD2 LEU A 129 44.592 18.771 13.955 1.00 6.40 C ANISOU 1762 CD2 LEU A 129 975 928 527 -59 -165 118 C ATOM 1763 H LEU A 129 47.654 21.510 11.860 1.00 6.45 H ATOM 1764 HA LEU A 129 45.753 20.284 10.590 1.00 6.23 H ATOM 1765 HB2 LEU A 129 47.158 19.116 11.979 1.00 6.73 H ATOM 1766 HB3 LEU A 129 46.671 19.948 13.233 1.00 6.73 H ATOM 1767 HG LEU A 129 44.770 18.354 11.987 1.00 7.50 H ATOM 1768 HD11 LEU A 129 45.449 16.450 13.135 1.00 8.71 H ATOM 1769 HD12 LEU A 129 46.570 16.906 12.105 1.00 8.71 H ATOM 1770 HD13 LEU A 129 46.736 17.225 13.653 1.00 8.71 H ATOM 1771 HD21 LEU A 129 43.968 18.048 14.124 1.00 7.67 H ATOM 1772 HD22 LEU A 129 45.197 18.868 14.707 1.00 7.67 H ATOM 1773 HD23 LEU A 129 44.107 19.599 13.812 1.00 7.67 H ATOM 1774 N ALA A 130 44.709 22.226 12.903 1.00 6.23 N ANISOU 1774 N ALA A 130 1010 780 579 -26 -224 -57 N ATOM 1775 CA ALA A 130 43.505 22.817 13.468 1.00 6.61 C ANISOU 1775 CA ALA A 130 987 931 594 0 -309 -45 C ATOM 1776 C ALA A 130 42.639 23.457 12.397 1.00 7.75 C ANISOU 1776 C ALA A 130 1209 1056 679 62 -329 -63 C ATOM 1777 O ALA A 130 41.412 23.475 12.522 1.00 8.32 O ANISOU 1777 O ALA A 130 1181 1205 777 194 -318 22 O ATOM 1778 CB ALA A 130 43.877 23.865 14.522 1.00 6.80 C ANISOU 1778 CB ALA A 130 964 935 685 51 -369 -10 C ATOM 1779 H ALA A 130 45.446 22.537 13.219 1.00 7.48 H ATOM 1780 HA ALA A 130 42.984 22.123 13.903 1.00 7.93 H ATOM 1781 HB1 ALA A 130 43.064 24.248 14.887 1.00 8.16 H ATOM 1782 HB2 ALA A 130 44.388 23.437 15.226 1.00 8.16 H ATOM 1783 HB3 ALA A 130 44.410 24.559 14.101 1.00 8.16 H ATOM 1784 N VAL A 131 43.255 24.021 11.365 1.00 6.46 N ANISOU 1784 N VAL A 131 914 926 615 222 -313 -87 N ATOM 1785 CA VAL A 131 42.521 24.706 10.313 1.00 7.74 C ANISOU 1785 CA VAL A 131 1188 1048 704 177 -332 -19 C ATOM 1786 C VAL A 131 42.283 23.799 9.117 1.00 8.02 C ANISOU 1786 C VAL A 131 1235 1135 678 221 -464 -66 C ATOM 1787 O VAL A 131 41.198 23.800 8.537 1.00 9.63 O ANISOU 1787 O VAL A 131 1462 1387 810 329 -538 -162 O ATOM 1788 CB VAL A 131 43.259 25.995 9.895 1.00 9.59 C ANISOU 1788 CB VAL A 131 1670 1119 856 205 -287 21 C ATOM 1789 CG1 VAL A 131 42.579 26.638 8.692 1.00 9.94 C ANISOU 1789 CG1 VAL A 131 1675 1203 897 223 -179 141 C ATOM 1790 CG2 VAL A 131 43.337 26.972 11.051 1.00 11.10 C ANISOU 1790 CG2 VAL A 131 2092 1202 923 208 -395 -53 C ATOM 1791 H VAL A 131 44.107 24.020 11.252 1.00 7.75 H ATOM 1792 HA VAL A 131 41.654 24.966 10.660 1.00 9.29 H ATOM 1793 HB VAL A 131 44.166 25.767 9.636 1.00 11.51 H ATOM 1794 HG11 VAL A 131 43.061 27.444 8.451 1.00 11.92 H ATOM 1795 HG12 VAL A 131 42.589 26.011 7.952 1.00 11.92 H ATOM 1796 HG13 VAL A 131 41.664 26.857 8.928 1.00 11.92 H ATOM 1797 HG21 VAL A 131 43.805 27.770 10.759 1.00 13.32 H ATOM 1798 HG22 VAL A 131 42.438 27.199 11.334 1.00 13.32 H ATOM 1799 HG23 VAL A 131 43.819 26.555 11.783 1.00 13.32 H ATOM 1800 N ASN A 132 43.300 23.081 8.736 1.00 7.24 N ANISOU 1800 N ASN A 132 1197 967 586 292 -357 19 N ATOM 1801 CA ASN A 132 43.307 22.378 7.423 1.00 7.16 C ANISOU 1801 CA ASN A 132 1231 925 564 368 -318 -14 C ATOM 1802 C ASN A 132 43.029 20.887 7.430 1.00 7.77 C ANISOU 1802 C ASN A 132 1477 919 556 382 -302 -25 C ATOM 1803 O ASN A 132 42.892 20.286 6.388 1.00 8.97 O ANISOU 1803 O ASN A 132 1841 981 587 248 -326 -37 O ATOM 1804 CB ASN A 132 44.625 22.657 6.733 1.00 7.32 C ANISOU 1804 CB ASN A 132 1206 943 632 367 -303 90 C ATOM 1805 CG ASN A 132 44.840 24.129 6.538 1.00 8.86 C ANISOU 1805 CG ASN A 132 1577 1003 788 372 -404 38 C ATOM 1806 OD1 ASN A 132 44.040 24.762 5.851 1.00 8.82 O ANISOU 1806 OD1 ASN A 132 1482 1139 732 313 -318 202 O ATOM 1807 ND2 ASN A 132 45.821 24.667 7.141 1.00 11.25 N ANISOU 1807 ND2 ASN A 132 2128 1080 1067 471 -675 -51 N ATOM 1808 H ASN A 132 44.014 22.966 9.200 1.00 8.69 H ATOM 1809 HA ASN A 132 42.609 22.786 6.869 1.00 8.59 H ATOM 1810 HB2 ASN A 132 45.350 22.312 7.277 1.00 8.78 H ATOM 1811 HB3 ASN A 132 44.627 22.230 5.862 1.00 8.78 H ATOM 1812 HD21 ASN A 132 45.991 25.627 7.042 1.00 13.50 H ATOM 1813 HD22 ASN A 132 46.408 24.121 7.706 1.00 13.50 H ATOM 1814 N GLY A 133 42.931 20.282 8.606 1.00 7.04 N ANISOU 1814 N GLY A 133 1191 988 496 289 -264 55 N ATOM 1815 CA GLY A 133 42.532 18.899 8.715 1.00 6.78 C ANISOU 1815 CA GLY A 133 1069 954 553 240 -349 23 C ATOM 1816 C GLY A 133 43.682 17.905 9.037 1.00 6.21 C ANISOU 1816 C GLY A 133 972 903 485 202 -316 -9 C ATOM 1817 O GLY A 133 44.809 18.272 9.258 1.00 6.05 O ANISOU 1817 O GLY A 133 919 934 444 211 -236 -39 O ATOM 1818 H GLY A 133 43.094 20.660 9.361 1.00 8.45 H ATOM 1819 HA2 GLY A 133 41.864 18.819 9.413 1.00 8.14 H ATOM 1820 HA3 GLY A 133 42.125 18.623 7.878 1.00 8.14 H ATOM 1821 N PRO A 134 43.325 16.622 9.008 1.00 5.60 N ANISOU 1821 N PRO A 134 837 841 449 179 -248 -66 N ATOM 1822 CA PRO A 134 44.275 15.578 9.400 1.00 5.23 C ANISOU 1822 CA PRO A 134 728 823 437 9 -303 -62 C ATOM 1823 C PRO A 134 45.538 15.565 8.555 1.00 5.26 C ANISOU 1823 C PRO A 134 745 876 377 -9 -269 -35 C ATOM 1824 O PRO A 134 45.529 15.884 7.363 1.00 7.10 O ANISOU 1824 O PRO A 134 1066 1095 535 58 -338 -8 O ATOM 1825 CB PRO A 134 43.456 14.293 9.223 1.00 6.21 C ANISOU 1825 CB PRO A 134 1041 854 463 112 -155 -96 C ATOM 1826 CG PRO A 134 42.045 14.769 9.578 1.00 5.53 C ANISOU 1826 CG PRO A 134 757 847 499 155 -165 -151 C ATOM 1827 CD PRO A 134 41.957 16.089 8.874 1.00 5.87 C ANISOU 1827 CD PRO A 134 802 907 520 331 -259 -187 C ATOM 1828 HA PRO A 134 44.515 15.677 10.334 1.00 6.28 H ATOM 1829 HB2 PRO A 134 43.504 13.988 8.304 1.00 7.45 H ATOM 1830 HB3 PRO A 134 43.763 13.611 9.840 1.00 7.45 H ATOM 1831 HG2 PRO A 134 41.386 14.145 9.236 1.00 6.64 H ATOM 1832 HG3 PRO A 134 41.961 14.878 10.538 1.00 6.64 H ATOM 1833 HD2 PRO A 134 41.732 15.960 7.939 1.00 7.04 H ATOM 1834 HD3 PRO A 134 41.320 16.669 9.319 1.00 7.04 H ATOM 1835 N VAL A 135 46.626 15.137 9.192 1.00 5.12 N ANISOU 1835 N VAL A 135 829 785 330 84 -190 100 N ATOM 1836 CA VAL A 135 47.976 15.242 8.652 1.00 5.63 C ANISOU 1836 CA VAL A 135 1050 706 383 45 -57 101 C ATOM 1837 C VAL A 135 48.611 13.856 8.643 1.00 5.20 C ANISOU 1837 C VAL A 135 855 674 446 -3 -230 24 C ATOM 1838 O VAL A 135 48.601 13.162 9.664 1.00 5.49 O ANISOU 1838 O VAL A 135 937 669 481 58 -224 121 O ATOM 1839 CB VAL A 135 48.808 16.203 9.520 1.00 5.20 C ANISOU 1839 CB VAL A 135 874 658 445 -19 -126 96 C ATOM 1840 CG1 VAL A 135 50.269 16.189 9.110 1.00 6.11 C ANISOU 1840 CG1 VAL A 135 1067 744 509 19 -282 -21 C ATOM 1841 CG2 VAL A 135 48.255 17.593 9.415 1.00 5.52 C ANISOU 1841 CG2 VAL A 135 855 619 623 -126 -248 18 C ATOM 1842 H VAL A 135 46.603 14.769 9.969 1.00 6.14 H ATOM 1843 HA VAL A 135 47.945 15.582 7.744 1.00 6.76 H ATOM 1844 HB VAL A 135 48.751 15.924 10.447 1.00 6.24 H ATOM 1845 HG11 VAL A 135 50.761 16.803 9.677 1.00 7.33 H ATOM 1846 HG12 VAL A 135 50.617 15.289 9.216 1.00 7.33 H ATOM 1847 HG13 VAL A 135 50.339 16.464 8.183 1.00 7.33 H ATOM 1848 HG21 VAL A 135 48.788 18.187 9.966 1.00 6.62 H ATOM 1849 HG22 VAL A 135 48.292 17.878 8.488 1.00 6.62 H ATOM 1850 HG23 VAL A 135 47.335 17.591 9.723 1.00 6.62 H ATOM 1851 N ALA A 136 49.169 13.458 7.504 1.00 5.27 N ANISOU 1851 N ALA A 136 957 626 418 24 -285 -86 N ATOM 1852 CA ALA A 136 49.943 12.222 7.442 1.00 4.84 C ANISOU 1852 CA ALA A 136 787 643 410 37 -144 24 C ATOM 1853 C ALA A 136 51.280 12.428 8.139 1.00 5.17 C ANISOU 1853 C ALA A 136 904 638 422 164 -209 -17 C ATOM 1854 O ALA A 136 51.952 13.428 7.900 1.00 5.56 O ANISOU 1854 O ALA A 136 895 664 555 -80 -379 110 O ATOM 1855 CB ALA A 136 50.176 11.847 5.986 1.00 5.40 C ANISOU 1855 CB ALA A 136 871 662 518 37 -207 61 C ATOM 1856 H ALA A 136 49.115 13.881 6.758 1.00 6.32 H ATOM 1857 HA ALA A 136 49.462 11.504 7.883 1.00 5.81 H ATOM 1858 HB1 ALA A 136 50.690 11.026 5.950 1.00 6.48 H ATOM 1859 HB2 ALA A 136 49.317 11.719 5.552 1.00 6.48 H ATOM 1860 HB3 ALA A 136 50.664 12.563 5.549 1.00 6.48 H ATOM 1861 N VAL A 137 51.681 11.476 8.987 1.00 4.98 N ANISOU 1861 N VAL A 137 824 625 442 71 -312 10 N ATOM 1862 CA VAL A 137 52.965 11.544 9.670 1.00 5.45 C ANISOU 1862 CA VAL A 137 945 639 488 -1 -218 94 C ATOM 1863 C VAL A 137 53.631 10.183 9.710 1.00 5.83 C ANISOU 1863 C VAL A 137 960 736 521 62 -268 85 C ATOM 1864 O VAL A 137 52.979 9.139 9.765 1.00 5.64 O ANISOU 1864 O VAL A 137 876 748 519 4 -351 76 O ATOM 1865 CB VAL A 137 52.867 12.076 11.113 1.00 6.17 C ANISOU 1865 CB VAL A 137 1094 672 577 -57 -206 -14 C ATOM 1866 CG1 VAL A 137 52.441 13.523 11.112 1.00 7.53 C ANISOU 1866 CG1 VAL A 137 1347 755 758 2 -11 -72 C ATOM 1867 CG2 VAL A 137 51.942 11.240 11.958 1.00 6.35 C ANISOU 1867 CG2 VAL A 137 1162 741 508 102 -357 13 C ATOM 1868 H VAL A 137 51.220 10.777 9.181 1.00 5.97 H ATOM 1869 HA VAL A 137 53.547 12.142 9.176 1.00 6.54 H ATOM 1870 HB VAL A 137 53.748 12.033 11.516 1.00 7.40 H ATOM 1871 HG11 VAL A 137 52.385 13.836 12.028 1.00 9.03 H ATOM 1872 HG12 VAL A 137 53.096 14.044 10.622 1.00 9.03 H ATOM 1873 HG13 VAL A 137 51.573 13.595 10.684 1.00 9.03 H ATOM 1874 HG21 VAL A 137 51.911 11.611 12.854 1.00 7.61 H ATOM 1875 HG22 VAL A 137 51.056 11.253 11.564 1.00 7.61 H ATOM 1876 HG23 VAL A 137 52.278 10.330 11.988 1.00 7.61 H ATOM 1877 N ALA A 138 54.950 10.209 9.702 1.00 5.43 N ANISOU 1877 N ALA A 138 643 746 674 23 -301 34 N ATOM 1878 CA ALA A 138 55.756 9.034 9.970 1.00 5.87 C ANISOU 1878 CA ALA A 138 747 804 681 229 -266 26 C ATOM 1879 C ALA A 138 56.098 9.008 11.454 1.00 5.83 C ANISOU 1879 C ALA A 138 826 685 704 253 -344 -97 C ATOM 1880 O ALA A 138 56.358 10.045 12.065 1.00 6.72 O ANISOU 1880 O ALA A 138 1138 689 725 159 -457 -42 O ATOM 1881 CB ALA A 138 57.034 9.071 9.133 1.00 7.23 C ANISOU 1881 CB ALA A 138 1015 987 745 338 -252 -8 C ATOM 1882 H ALA A 138 55.414 10.914 9.540 1.00 6.52 H ATOM 1883 HA ALA A 138 55.257 8.233 9.748 1.00 7.05 H ATOM 1884 HB1 ALA A 138 57.560 8.279 9.325 1.00 8.68 H ATOM 1885 HB2 ALA A 138 56.795 9.090 8.193 1.00 8.68 H ATOM 1886 HB3 ALA A 138 57.539 9.867 9.362 1.00 8.68 H ATOM 1887 N VAL A 139 56.114 7.808 12.027 1.00 6.16 N ANISOU 1887 N VAL A 139 933 696 711 156 -445 3 N ATOM 1888 CA VAL A 139 56.478 7.613 13.418 1.00 6.77 C ANISOU 1888 CA VAL A 139 1050 827 694 25 -394 -21 C ATOM 1889 C VAL A 139 57.366 6.384 13.527 1.00 7.35 C ANISOU 1889 C VAL A 139 1103 966 725 63 -356 36 C ATOM 1890 O VAL A 139 57.433 5.542 12.622 1.00 7.60 O ANISOU 1890 O VAL A 139 1150 959 779 38 -369 75 O ATOM 1891 CB VAL A 139 55.262 7.431 14.346 1.00 7.49 C ANISOU 1891 CB VAL A 139 1215 913 719 -79 -310 -29 C ATOM 1892 CG1 VAL A 139 54.440 8.705 14.392 1.00 8.58 C ANISOU 1892 CG1 VAL A 139 1437 1023 801 8 -322 20 C ATOM 1893 CG2 VAL A 139 54.409 6.239 13.908 1.00 7.16 C ANISOU 1893 CG2 VAL A 139 1138 850 732 -141 -300 0 C ATOM 1894 H VAL A 139 55.914 7.078 11.618 1.00 7.39 H ATOM 1895 HA VAL A 139 56.982 8.382 13.727 1.00 8.12 H ATOM 1896 HB VAL A 139 55.580 7.252 15.244 1.00 8.99 H ATOM 1897 HG11 VAL A 139 53.680 8.570 14.980 1.00 10.30 H ATOM 1898 HG12 VAL A 139 54.995 9.426 14.728 1.00 10.30 H ATOM 1899 HG13 VAL A 139 54.132 8.914 13.496 1.00 10.30 H ATOM 1900 HG21 VAL A 139 53.655 6.152 14.511 1.00 8.59 H ATOM 1901 HG22 VAL A 139 54.095 6.392 13.003 1.00 8.59 H ATOM 1902 HG23 VAL A 139 54.952 5.435 13.938 1.00 8.59 H ATOM 1903 N ASP A 140 58.032 6.284 14.676 1.00 7.35 N ANISOU 1903 N ASP A 140 954 1064 773 196 -455 72 N ATOM 1904 CA ASP A 140 58.625 5.030 15.135 1.00 9.12 C ANISOU 1904 CA ASP A 140 1306 1206 954 253 -552 166 C ATOM 1905 C ASP A 140 57.556 4.296 15.932 1.00 9.12 C ANISOU 1905 C ASP A 140 1279 1293 894 145 -546 164 C ATOM 1906 O ASP A 140 57.239 4.674 17.063 1.00 10.45 O ANISOU 1906 O ASP A 140 1641 1427 901 -100 -491 50 O ATOM 1907 CB ASP A 140 59.846 5.301 16.000 1.00 11.66 C ANISOU 1907 CB ASP A 140 1713 1432 1287 182 -651 295 C ATOM 1908 CG ASP A 140 60.549 4.021 16.416 1.00 12.56 C ANISOU 1908 CG ASP A 140 1512 1605 1655 94 -789 472 C ATOM 1909 OD1 ASP A 140 61.734 4.088 16.791 1.00 14.43 O ANISOU 1909 OD1 ASP A 140 1661 1834 1989 26 -890 579 O ATOM 1910 OD2 ASP A 140 59.928 2.939 16.329 1.00 12.21 O ANISOU 1910 OD2 ASP A 140 1537 1474 1627 148 -739 482 O ATOM 1911 H ASP A 140 58.156 6.940 15.217 1.00 8.81 H ATOM 1912 HA ASP A 140 58.887 4.485 14.376 1.00 10.95 H ATOM 1913 HB2 ASP A 140 60.476 5.843 15.500 1.00 14.00 H ATOM 1914 HB3 ASP A 140 59.568 5.768 16.804 1.00 14.00 H ATOM 1915 N ALA A 141 56.957 3.272 15.320 1.00 8.19 N ANISOU 1915 N ALA A 141 957 1224 930 104 -405 209 N ATOM 1916 CA ALA A 141 55.922 2.457 15.944 1.00 9.51 C ANISOU 1916 CA ALA A 141 1182 1310 1122 184 -288 322 C ATOM 1917 C ALA A 141 56.452 1.096 16.345 1.00 11.13 C ANISOU 1917 C ALA A 141 1431 1424 1373 194 -253 412 C ATOM 1918 O ALA A 141 55.668 0.178 16.604 1.00 11.53 O ANISOU 1918 O ALA A 141 1533 1483 1366 114 -253 422 O ATOM 1919 CB ALA A 141 54.731 2.282 15.005 1.00 9.57 C ANISOU 1919 CB ALA A 141 1208 1316 1113 40 -401 359 C ATOM 1920 H ALA A 141 57.142 3.026 14.517 1.00 9.83 H ATOM 1921 HA ALA A 141 55.608 2.904 16.746 1.00 11.41 H ATOM 1922 HB1 ALA A 141 54.060 1.737 15.445 1.00 11.49 H ATOM 1923 HB2 ALA A 141 54.364 3.155 14.795 1.00 11.49 H ATOM 1924 HB3 ALA A 141 55.032 1.845 14.193 1.00 11.49 H ATOM 1925 N SER A 142 57.772 0.944 16.410 1.00 11.85 N ANISOU 1925 N SER A 142 1290 1517 1697 311 -451 610 N ATOM 1926 CA SER A 142 58.332 -0.361 16.718 1.00 13.79 C ANISOU 1926 CA SER A 142 1436 1746 2057 241 -364 850 C ATOM 1927 C SER A 142 57.901 -0.860 18.094 1.00 16.05 C ANISOU 1927 C SER A 142 1923 1972 2205 320 -501 1000 C ATOM 1928 O SER A 142 57.877 -2.078 18.308 1.00 18.66 O ANISOU 1928 O SER A 142 2536 2023 2531 290 -334 1075 O ATOM 1929 CB SER A 142 59.856 -0.324 16.591 1.00 14.95 C ANISOU 1929 CB SER A 142 1542 1916 2221 331 -302 882 C ATOM 1930 OG SER A 142 60.446 0.533 17.550 1.00 15.54 O ANISOU 1930 OG SER A 142 1631 2006 2266 340 -381 939 O ATOM 1931 H SER A 142 58.350 1.567 16.282 1.00 14.22 H ATOM 1932 HA SER A 142 58.002 -0.997 16.064 1.00 16.55 H ATOM 1933 HB2 SER A 142 60.202 -1.221 16.719 1.00 17.94 H ATOM 1934 HB3 SER A 142 60.088 -0.006 15.704 1.00 17.94 H ATOM 1935 HG SER A 142 60.159 1.316 17.452 1.00 18.64 H ATOM 1936 N SER A 143 57.548 0.044 19.015 1.00 16.69 N ANISOU 1936 N SER A 143 2133 2189 2018 160 -668 999 N ATOM 1937 CA SER A 143 57.150 -0.302 20.378 1.00 18.46 C ANISOU 1937 CA SER A 143 2639 2456 1920 -99 -831 895 C ATOM 1938 C SER A 143 55.638 -0.382 20.572 1.00 16.65 C ANISOU 1938 C SER A 143 2543 2239 1545 -255 -710 727 C ATOM 1939 O SER A 143 55.181 -0.503 21.711 1.00 17.59 O ANISOU 1939 O SER A 143 2878 2374 1430 -161 -712 750 O ATOM 1940 CB SER A 143 57.697 0.742 21.366 1.00 22.35 C ANISOU 1940 CB SER A 143 3517 2754 2220 -8 -853 899 C ATOM 1941 OG SER A 143 57.004 1.989 21.234 1.00 24.81 O ANISOU 1941 OG SER A 143 3944 3017 2465 -67 -825 780 O ATOM 1942 H SER A 143 57.531 0.890 18.864 1.00 20.02 H ATOM 1943 HA SER A 143 57.529 -1.164 20.610 1.00 22.16 H ATOM 1944 HB2 SER A 143 57.581 0.411 22.271 1.00 26.82 H ATOM 1945 HB3 SER A 143 58.639 0.884 21.184 1.00 26.82 H ATOM 1946 HG SER A 143 57.096 2.288 20.455 1.00 29.77 H ATOM 1947 N TRP A 144 54.852 -0.321 19.504 1.00 12.70 N ANISOU 1947 N TRP A 144 1831 1776 1220 -322 -689 557 N ATOM 1948 CA TRP A 144 53.414 -0.095 19.615 1.00 10.80 C ANISOU 1948 CA TRP A 144 1659 1435 1009 -143 -446 427 C ATOM 1949 C TRP A 144 52.574 -1.366 19.637 1.00 10.96 C ANISOU 1949 C TRP A 144 1733 1391 1039 65 -315 326 C ATOM 1950 O TRP A 144 51.350 -1.276 19.758 1.00 10.81 O ANISOU 1950 O TRP A 144 1800 1151 1155 132 -462 403 O ATOM 1951 CB TRP A 144 52.947 0.718 18.414 1.00 9.64 C ANISOU 1951 CB TRP A 144 1526 1273 865 -191 -482 355 C ATOM 1952 CG TRP A 144 53.267 2.194 18.440 1.00 9.70 C ANISOU 1952 CG TRP A 144 1569 1306 810 -216 -262 267 C ATOM 1953 CD1 TRP A 144 54.210 2.848 19.183 1.00 10.21 C ANISOU 1953 CD1 TRP A 144 1736 1282 862 -326 -88 154 C ATOM 1954 CD2 TRP A 144 52.609 3.190 17.656 1.00 9.32 C ANISOU 1954 CD2 TRP A 144 1336 1383 822 -11 -123 333 C ATOM 1955 NE1 TRP A 144 54.179 4.205 18.899 1.00 9.90 N ANISOU 1955 NE1 TRP A 144 1651 1291 819 -265 -149 90 N ATOM 1956 CE2 TRP A 144 53.204 4.430 17.962 1.00 9.98 C ANISOU 1956 CE2 TRP A 144 1595 1371 825 -75 -45 239 C ATOM 1957 CE3 TRP A 144 51.587 3.144 16.701 1.00 9.99 C ANISOU 1957 CE3 TRP A 144 1452 1454 888 108 -106 346 C ATOM 1958 CZ2 TRP A 144 52.791 5.625 17.355 1.00 10.10 C ANISOU 1958 CZ2 TRP A 144 1545 1434 860 70 184 253 C ATOM 1959 CZ3 TRP A 144 51.172 4.328 16.113 1.00 9.99 C ANISOU 1959 CZ3 TRP A 144 1397 1477 920 159 260 344 C ATOM 1960 CH2 TRP A 144 51.779 5.551 16.443 1.00 9.94 C ANISOU 1960 CH2 TRP A 144 1415 1439 922 87 249 282 C ATOM 1961 N MET A 145 53.164 -2.520 19.438 1.00 11.14 N ANISOU 1961 N MET A 145 1565 1578 1088 90 -121 232 N ATOM 1962 CA MET A 145 52.404 -3.736 19.189 1.00 13.52 C ANISOU 1962 CA MET A 145 2061 1831 1246 -1 100 195 C ATOM 1963 C MET A 145 51.447 -4.135 20.285 1.00 13.56 C ANISOU 1963 C MET A 145 2091 1807 1253 -325 -191 235 C ATOM 1964 O MET A 145 50.440 -4.688 19.992 1.00 16.47 O ANISOU 1964 O MET A 145 2649 2234 1376 -914 -196 185 O ATOM 1965 CB MET A 145 53.343 -4.899 18.870 1.00 18.10 C ANISOU 1965 CB MET A 145 3153 2199 1527 436 419 154 C ATOM 1966 CG MET A 145 54.396 -4.613 17.803 1.00 23.35 C ANISOU 1966 CG MET A 145 4314 2655 1904 727 450 171 C ATOM 1967 SD MET A 145 53.613 -4.197 16.260 0.75 28.23 S ANISOU 1967 SD MET A 145 5276 3141 2310 498 469 207 S ATOM 1968 CE MET A 145 52.194 -5.255 16.182 1.00 29.95 C ANISOU 1968 CE MET A 145 5646 3284 2450 312 505 195 C ATOM 1969 H MET A 145 54.016 -2.636 19.441 1.00 13.36 H ATOM 1970 HA MET A 145 51.870 -3.583 18.381 1.00 16.23 H ATOM 1971 HB2 MET A 145 53.811 -5.148 19.683 1.00 21.73 H ATOM 1972 HB3 MET A 145 52.810 -5.649 18.561 1.00 21.73 H ATOM 1973 HG2 MET A 145 54.944 -3.863 18.082 1.00 28.02 H ATOM 1974 HG3 MET A 145 54.944 -5.402 17.668 0.00 28.02 H ATOM 1975 HE1 MET A 145 52.488 -6.166 16.105 0.00 35.94 H ATOM 1976 HE2 MET A 145 51.678 -5.144 16.984 0.00 35.94 H ATOM 1977 HE3 MET A 145 51.667 -5.015 15.417 0.00 35.94 H ATOM 1978 N THR A 146 51.782 -3.840 21.544 1.00 10.76 N ANISOU 1978 N THR A 146 1540 1398 1151 277 -434 372 N ATOM 1979 CA THR A 146 50.923 -4.219 22.662 1.00 10.78 C ANISOU 1979 CA THR A 146 1470 1432 1195 317 -395 432 C ATOM 1980 C THR A 146 50.179 -3.040 23.276 1.00 11.13 C ANISOU 1980 C THR A 146 1691 1328 1209 288 -222 467 C ATOM 1981 O THR A 146 49.614 -3.176 24.364 1.00 13.37 O ANISOU 1981 O THR A 146 2374 1389 1317 178 46 565 O ATOM 1982 CB THR A 146 51.721 -4.976 23.725 1.00 11.63 C ANISOU 1982 CB THR A 146 1522 1598 1297 273 -275 386 C ATOM 1983 OG1 THR A 146 52.860 -4.201 24.106 1.00 13.32 O ANISOU 1983 OG1 THR A 146 1807 1878 1376 261 -400 279 O ATOM 1984 CG2 THR A 146 52.190 -6.312 23.181 1.00 12.21 C ANISOU 1984 CG2 THR A 146 1728 1544 1369 420 -170 479 C ATOM 1985 H THR A 146 52.501 -3.429 21.776 1.00 12.91 H ATOM 1986 HA THR A 146 50.250 -4.831 22.325 1.00 12.94 H ATOM 1987 HB THR A 146 51.161 -5.136 24.501 1.00 13.95 H ATOM 1988 HG1 THR A 146 52.612 -3.462 24.419 1.00 15.98 H ATOM 1989 HG21 THR A 146 52.695 -6.787 23.859 1.00 14.66 H ATOM 1990 HG22 THR A 146 51.426 -6.851 22.921 1.00 14.66 H ATOM 1991 HG23 THR A 146 52.756 -6.173 22.406 1.00 14.66 H ATOM 1992 N TYR A 147 50.145 -1.889 22.608 1.00 10.88 N ANISOU 1992 N TYR A 147 1680 1229 1225 321 -207 434 N ATOM 1993 CA TYR A 147 49.412 -0.749 23.132 1.00 10.97 C ANISOU 1993 CA TYR A 147 1662 1200 1307 138 -187 471 C ATOM 1994 C TYR A 147 47.923 -1.063 23.181 1.00 12.08 C ANISOU 1994 C TYR A 147 1575 1343 1673 108 42 481 C ATOM 1995 O TYR A 147 47.335 -1.513 22.190 1.00 12.28 O ANISOU 1995 O TYR A 147 1374 1441 1852 116 21 431 O ATOM 1996 CB TYR A 147 49.653 0.458 22.228 1.00 10.13 C ANISOU 1996 CB TYR A 147 1727 1069 1054 160 -271 483 C ATOM 1997 CG TYR A 147 48.808 1.664 22.551 1.00 10.00 C ANISOU 1997 CG TYR A 147 1793 1079 929 25 -331 379 C ATOM 1998 CD1 TYR A 147 47.685 1.965 21.793 1.00 8.89 C ANISOU 1998 CD1 TYR A 147 1534 1009 834 -12 -395 372 C ATOM 1999 CD2 TYR A 147 49.137 2.508 23.606 1.00 10.00 C ANISOU 1999 CD2 TYR A 147 1756 1137 905 -91 -347 266 C ATOM 2000 CE1 TYR A 147 46.899 3.066 22.075 1.00 8.79 C ANISOU 2000 CE1 TYR A 147 1535 1034 772 33 -420 301 C ATOM 2001 CE2 TYR A 147 48.365 3.627 23.894 1.00 9.24 C ANISOU 2001 CE2 TYR A 147 1602 1096 812 -14 -370 316 C ATOM 2002 CZ TYR A 147 47.251 3.900 23.119 1.00 7.97 C ANISOU 2002 CZ TYR A 147 1266 1047 717 65 -399 289 C ATOM 2003 OH TYR A 147 46.455 4.993 23.354 1.00 8.72 O ANISOU 2003 OH TYR A 147 1419 1211 683 127 -423 214 O ATOM 2004 H TYR A 147 50.536 -1.746 21.856 1.00 13.06 H ATOM 2005 HA TYR A 147 49.720 -0.540 24.027 1.00 13.17 H ATOM 2006 HB2 TYR A 147 50.583 0.722 22.306 1.00 12.16 H ATOM 2007 HB3 TYR A 147 49.462 0.202 21.312 1.00 12.16 H ATOM 2008 HD1 TYR A 147 47.451 1.409 21.086 1.00 10.67 H ATOM 2009 HD2 TYR A 147 49.890 2.326 24.121 1.00 12.00 H ATOM 2010 HE1 TYR A 147 46.154 3.257 21.553 1.00 10.55 H ATOM 2011 HE2 TYR A 147 48.595 4.188 24.599 1.00 11.09 H ATOM 2012 HH TYR A 147 46.754 5.431 24.005 1.00 10.46 H ATOM 2013 N THR A 148 47.308 -0.789 24.332 1.00 14.62 N ANISOU 2013 N THR A 148 2106 1502 1946 174 319 470 N ATOM 2014 CA THR A 148 45.878 -0.966 24.506 1.00 17.72 C ANISOU 2014 CA THR A 148 2674 1838 2222 47 711 443 C ATOM 2015 C THR A 148 45.152 0.291 24.954 1.00 16.72 C ANISOU 2015 C THR A 148 2172 2005 2177 77 577 187 C ATOM 2016 O THR A 148 43.922 0.253 25.077 1.00 19.06 O ANISOU 2016 O THR A 148 2621 2209 2413 124 370 -77 O ATOM 2017 CB THR A 148 45.594 -2.080 25.524 1.00 21.49 C ANISOU 2017 CB THR A 148 3614 2016 2537 -4 1030 616 C ATOM 2018 OG1 THR A 148 46.302 -1.798 26.737 1.00 23.89 O ANISOU 2018 OG1 THR A 148 4378 2150 2548 72 1125 720 O ATOM 2019 CG2 THR A 148 46.014 -3.438 24.973 1.00 21.65 C ANISOU 2019 CG2 THR A 148 3484 2034 2708 -120 1114 655 C ATOM 2020 H THR A 148 47.708 -0.495 25.034 1.00 17.54 H ATOM 2021 HA THR A 148 45.496 -1.239 23.657 1.00 21.27 H ATOM 2022 HB THR A 148 44.642 -2.108 25.709 1.00 25.79 H ATOM 2023 HG1 THR A 148 46.051 -1.061 27.052 1.00 28.66 H ATOM 2024 HG21 THR A 148 45.829 -4.132 25.626 1.00 25.98 H ATOM 2025 HG22 THR A 148 45.524 -3.632 24.159 1.00 25.98 H ATOM 2026 HG23 THR A 148 46.964 -3.436 24.776 1.00 25.98 H ATOM 2027 N GLY A 149 45.854 1.379 25.216 1.00 14.08 N ANISOU 2027 N GLY A 149 1621 1878 1850 115 384 269 N ATOM 2028 CA GLY A 149 45.202 2.614 25.605 1.00 12.86 C ANISOU 2028 CA GLY A 149 1450 1914 1524 66 186 336 C ATOM 2029 C GLY A 149 46.079 3.452 26.510 1.00 12.59 C ANISOU 2029 C GLY A 149 1576 1944 1265 33 -162 411 C ATOM 2030 O GLY A 149 47.112 3.018 27.012 1.00 13.69 O ANISOU 2030 O GLY A 149 1786 2078 1336 50 -397 426 O ATOM 2031 H GLY A 149 46.711 1.428 25.177 1.00 16.89 H ATOM 2032 HA2 GLY A 149 44.989 3.133 24.814 1.00 15.44 H ATOM 2033 HA3 GLY A 149 44.377 2.413 26.074 1.00 15.44 H ATOM 2034 N GLY A 150 45.629 4.680 26.721 1.00 12.37 N ANISOU 2034 N GLY A 150 1821 1819 1061 -184 -214 352 N ATOM 2035 CA GLY A 150 46.348 5.660 27.502 1.00 12.50 C ANISOU 2035 CA GLY A 150 1914 1798 1038 -336 -236 245 C ATOM 2036 C GLY A 150 47.179 6.572 26.618 1.00 11.91 C ANISOU 2036 C GLY A 150 1884 1674 967 -407 -302 160 C ATOM 2037 O GLY A 150 47.271 6.406 25.402 1.00 11.70 O ANISOU 2037 O GLY A 150 1909 1553 983 -368 -200 61 O ATOM 2038 H GLY A 150 44.883 4.974 26.409 1.00 14.85 H ATOM 2039 HA2 GLY A 150 45.720 6.203 28.004 1.00 15.00 H ATOM 2040 HA3 GLY A 150 46.939 5.211 28.126 1.00 15.00 H ATOM 2041 N VAL A 151 47.788 7.570 27.244 1.00 11.82 N ANISOU 2041 N VAL A 151 1924 1728 839 -315 -359 123 N ATOM 2042 CA VAL A 151 48.711 8.449 26.544 1.00 11.88 C ANISOU 2042 CA VAL A 151 1730 1832 953 -198 -406 66 C ATOM 2043 C VAL A 151 50.083 7.800 26.578 1.00 12.42 C ANISOU 2043 C VAL A 151 1699 1969 1050 60 -612 176 C ATOM 2044 O VAL A 151 50.712 7.696 27.637 1.00 13.71 O ANISOU 2044 O VAL A 151 1982 2171 1056 215 -715 115 O ATOM 2045 CB VAL A 151 48.732 9.858 27.140 1.00 13.09 C ANISOU 2045 CB VAL A 151 2036 1904 1035 -205 -349 -39 C ATOM 2046 CG1 VAL A 151 49.752 10.719 26.392 1.00 13.40 C ANISOU 2046 CG1 VAL A 151 1987 1985 1121 -161 -391 -22 C ATOM 2047 CG2 VAL A 151 47.355 10.470 27.030 1.00 14.65 C ANISOU 2047 CG2 VAL A 151 2501 1978 1089 -155 -283 -60 C ATOM 2048 H VAL A 151 47.683 7.760 28.076 1.00 14.18 H ATOM 2049 HA VAL A 151 48.436 8.521 25.617 1.00 14.26 H ATOM 2050 HB VAL A 151 48.984 9.816 28.076 1.00 15.71 H ATOM 2051 HG11 VAL A 151 49.757 11.609 26.778 1.00 16.09 H ATOM 2052 HG12 VAL A 151 50.630 10.316 26.479 1.00 16.09 H ATOM 2053 HG13 VAL A 151 49.500 10.766 25.456 1.00 16.09 H ATOM 2054 HG21 VAL A 151 47.376 11.363 27.410 1.00 17.59 H ATOM 2055 HG22 VAL A 151 47.102 10.514 26.095 1.00 17.59 H ATOM 2056 HG23 VAL A 151 46.724 9.918 27.518 1.00 17.59 H ATOM 2057 N MET A 152 50.540 7.346 25.418 1.00 12.32 N ANISOU 2057 N MET A 152 1535 1889 1256 149 -659 275 N ATOM 2058 CA MET A 152 51.844 6.735 25.315 1.00 14.56 C ANISOU 2058 CA MET A 152 1840 2068 1624 125 -584 317 C ATOM 2059 C MET A 152 52.873 7.817 25.519 1.00 17.90 C ANISOU 2059 C MET A 152 2128 2449 2223 217 -783 452 C ATOM 2060 O MET A 152 53.019 8.755 24.720 1.00 15.70 O ANISOU 2060 O MET A 152 1697 2150 2120 192 -785 505 O ATOM 2061 CB MET A 152 52.062 6.046 23.977 1.00 14.00 C ANISOU 2061 CB MET A 152 1722 2077 1520 236 -357 230 C ATOM 2062 CG MET A 152 53.423 5.403 23.905 1.00 15.50 C ANISOU 2062 CG MET A 152 2110 2224 1556 196 -274 99 C ATOM 2063 SD MET A 152 53.674 4.595 22.332 1.00 15.92 S ANISOU 2063 SD MET A 152 2076 2386 1588 122 -263 69 S ATOM 2064 CE MET A 152 52.643 3.145 22.569 1.00 16.09 C ANISOU 2064 CE MET A 152 2107 2356 1651 219 -172 184 C ATOM 2065 H MET A 152 50.107 7.383 24.676 1.00 14.78 H ATOM 2066 HA MET A 152 51.940 6.070 26.014 1.00 17.47 H ATOM 2067 HB2 MET A 152 51.392 5.355 23.859 1.00 16.80 H ATOM 2068 HB3 MET A 152 51.998 6.702 23.265 1.00 16.80 H ATOM 2069 HG2 MET A 152 54.105 6.084 24.011 1.00 18.60 H ATOM 2070 HG3 MET A 152 53.500 4.737 24.606 1.00 18.60 H ATOM 2071 HE1 MET A 152 52.683 2.596 21.770 1.00 19.31 H ATOM 2072 HE2 MET A 152 52.973 2.644 23.331 1.00 19.31 H ATOM 2073 HE3 MET A 152 51.730 3.430 22.729 1.00 19.31 H ATOM 2074 N THR A 153 53.712 7.605 26.522 0.00 24.16 N ANISOU 2074 N THR A 153 3001 3170 3010 80 -774 394 N ATOM 2075 CA THR A 153 54.804 8.487 26.885 0.00 32.81 C ANISOU 2075 CA THR A 153 4584 4000 3883 158 -432 276 C ATOM 2076 C THR A 153 56.113 7.708 26.917 0.00 39.69 C ANISOU 2076 C THR A 153 5955 4592 4535 3 -2 271 C ATOM 2077 O THR A 153 57.151 8.238 27.312 0.00 41.55 O ANISOU 2077 O THR A 153 6298 4760 4728 -37 185 313 O ATOM 2078 CB THR A 153 54.571 9.133 28.263 0.00 34.25 C ANISOU 2078 CB THR A 153 4757 4193 4062 154 -563 110 C ATOM 2079 OG1 THR A 153 54.640 8.130 29.284 0.00 35.22 O ANISOU 2079 OG1 THR A 153 4945 4315 4123 58 -630 51 O ATOM 2080 CG2 THR A 153 53.212 9.815 28.312 0.00 33.98 C ANISOU 2080 CG2 THR A 153 4617 4194 4100 248 -626 51 C ATOM 2081 H THR A 153 53.662 6.915 27.034 0.00 29.00 H ATOM 2082 HA THR A 153 54.883 9.200 26.217 0.00 39.37 H ATOM 2083 HB THR A 153 55.255 9.803 28.423 0.00 41.10 H ATOM 2084 HG1 THR A 153 55.103 8.395 29.906 0.00 42.27 H ATOM 2085 HG21 THR A 153 53.122 10.308 29.131 0.00 40.78 H ATOM 2086 HG22 THR A 153 53.121 10.420 27.573 0.00 40.78 H ATOM 2087 HG23 THR A 153 52.514 9.157 28.266 0.00 40.78 H ATOM 2088 N SER A 154 56.059 6.446 26.499 0.00 43.51 N ANISOU 2088 N SER A 154 6746 4915 4870 -113 51 191 N ATOM 2089 CA SER A 154 57.241 5.593 26.502 0.00 46.22 C ANISOU 2089 CA SER A 154 7284 5178 5099 -237 140 94 C ATOM 2090 C SER A 154 57.425 5.033 25.099 0.00 45.44 C ANISOU 2090 C SER A 154 7170 5082 5015 -344 212 -58 C ATOM 2091 O SER A 154 57.392 3.821 24.890 0.00 47.01 O ANISOU 2091 O SER A 154 7541 5195 5126 -344 233 -67 O ATOM 2092 CB SER A 154 57.080 4.454 27.509 0.00 48.75 C ANISOU 2092 CB SER A 154 7771 5434 5317 -265 158 159 C ATOM 2093 OG SER A 154 55.883 3.731 27.273 0.00 50.30 O ANISOU 2093 OG SER A 154 8085 5591 5434 -256 159 209 O ATOM 2094 H SER A 154 55.344 6.045 26.241 0.00 52.21 H ATOM 2095 HA SER A 154 58.032 6.119 26.742 0.00 55.46 H ATOM 2096 HB2 SER A 154 57.834 3.850 27.425 0.00 58.50 H ATOM 2097 HB3 SER A 154 57.052 4.826 28.404 0.00 58.50 H ATOM 2098 HG SER A 154 55.835 3.518 26.483 0.00 60.35 H ATOM 2099 N CYS A 155 57.621 5.933 24.137 0.00 42.04 N ANISOU 2099 N CYS A 155 6486 4759 4728 -387 215 -229 N ATOM 2100 CA CYS A 155 57.779 5.561 22.732 0.00 37.21 C ANISOU 2100 CA CYS A 155 5481 4318 4339 -389 113 -380 C ATOM 2101 C CYS A 155 59.231 5.437 22.276 0.00 41.16 C ANISOU 2101 C CYS A 155 6034 4722 4882 -285 118 -327 C ATOM 2102 O CYS A 155 59.953 6.434 22.257 0.00 42.03 O ANISOU 2102 O CYS A 155 6223 4763 4982 -299 96 -357 O ATOM 2103 CB CYS A 155 57.093 6.612 21.835 1.00 27.62 C ANISOU 2103 CB CYS A 155 3768 3385 3341 -508 -97 -562 C ATOM 2104 SG CYS A 155 56.813 6.028 20.131 1.00 19.36 S ANISOU 2104 SG CYS A 155 2496 2500 2360 -487 -293 -593 S ATOM 2105 H CYS A 155 57.666 6.781 24.276 0.00 50.45 H ATOM 2106 HA CYS A 155 57.339 4.699 22.579 0.00 44.65 H ATOM 2107 HB2 CYS A 155 56.231 6.839 22.218 0.96 33.14 H ATOM 2108 HB3 CYS A 155 57.653 7.403 21.791 0.95 33.14 H ATOM 2109 N VAL A 156 59.674 4.234 21.908 0.00 43.38 N ANISOU 2109 N VAL A 156 6249 5001 5231 -176 105 -232 N ATOM 2110 CA VAL A 156 61.035 4.112 21.389 0.00 44.88 C ANISOU 2110 CA VAL A 156 6327 5222 5503 -152 14 -113 C ATOM 2111 C VAL A 156 61.040 5.020 20.159 0.00 44.13 C ANISOU 2111 C VAL A 156 5995 5235 5538 -267 -333 -50 C ATOM 2112 O VAL A 156 60.256 4.804 19.235 0.00 44.81 O ANISOU 2112 O VAL A 156 6130 5322 5573 -355 -453 -79 O ATOM 2113 CB VAL A 156 61.377 2.669 20.986 0.00 46.35 C ANISOU 2113 CB VAL A 156 6558 5372 5680 -71 160 -76 C ATOM 2114 CG1 VAL A 156 62.771 2.605 20.381 0.00 46.57 C ANISOU 2114 CG1 VAL A 156 6523 5427 5744 -2 215 -70 C ATOM 2115 CG2 VAL A 156 61.267 1.741 22.187 0.00 46.85 C ANISOU 2115 CG2 VAL A 156 6655 5418 5728 -52 145 -50 C ATOM 2116 H VAL A 156 59.223 3.502 21.927 0.00 52.05 H ATOM 2117 HA VAL A 156 61.687 4.438 22.044 0.00 53.85 H ATOM 2118 HB VAL A 156 60.738 2.365 20.308 0.00 55.62 H ATOM 2119 HG11 VAL A 156 62.990 1.688 20.197 0.00 55.88 H ATOM 2120 HG12 VAL A 156 62.782 3.115 19.568 0.00 55.88 H ATOM 2121 HG13 VAL A 156 63.400 2.972 21.007 0.00 55.88 H ATOM 2122 HG21 VAL A 156 61.512 0.853 21.919 0.00 56.22 H ATOM 2123 HG22 VAL A 156 61.859 2.051 22.876 0.00 56.22 H ATOM 2124 HG23 VAL A 156 60.361 1.749 22.505 0.00 56.22 H ATOM 2125 N SER A 157 61.905 6.019 20.102 0.00 41.53 N ANISOU 2125 N SER A 157 5214 5084 5481 -290 -588 39 N ATOM 2126 CA SER A 157 61.888 6.973 19.057 1.00 38.37 C ANISOU 2126 CA SER A 157 4315 4893 5372 -193 -877 140 C ATOM 2127 C SER A 157 63.275 6.974 18.427 0.91 37.61 C ANISOU 2127 C SER A 157 4368 4681 5240 -123 -776 222 C ATOM 2128 O SER A 157 64.032 7.930 18.516 0.00 38.30 O ANISOU 2128 O SER A 157 4601 4668 5283 -30 -705 264 O ATOM 2129 CB SER A 157 61.545 8.325 19.712 0.00 36.09 C ANISOU 2129 CB SER A 157 3419 4909 5384 -165 -1246 150 C ATOM 2130 OG SER A 157 60.431 8.285 20.633 0.00 33.64 O ANISOU 2130 OG SER A 157 2514 4889 5378 -153 -1639 160 O ATOM 2131 H SER A 157 62.524 6.153 20.684 0.00 49.83 H ATOM 2132 HA SER A 157 61.214 6.745 18.384 0.00 46.05 H ATOM 2133 HB2 SER A 157 62.327 8.635 20.195 0.00 43.31 H ATOM 2134 HB3 SER A 157 61.332 8.957 19.007 0.00 43.31 H ATOM 2135 HG SER A 157 60.563 7.716 21.208 0.00 40.37 H ATOM 2136 N GLU A 158 63.623 5.857 17.829 1.00 35.74 N ANISOU 2136 N GLU A 158 4082 4460 5039 -174 -727 259 N ATOM 2137 CA GLU A 158 64.921 5.655 17.202 1.00 34.05 C ANISOU 2137 CA GLU A 158 3892 4223 4823 -198 -485 359 C ATOM 2138 C GLU A 158 64.877 5.779 15.689 1.00 27.98 C ANISOU 2138 C GLU A 158 2623 3599 4408 -213 -543 491 C ATOM 2139 O GLU A 158 65.798 6.345 15.099 1.00 28.61 O ANISOU 2139 O GLU A 158 2886 3605 4379 -433 -512 613 O ATOM 2140 CB GLU A 158 65.473 4.271 17.570 0.00 38.15 C ANISOU 2140 CB GLU A 158 4901 4588 5005 -85 -316 358 C ATOM 2141 CG GLU A 158 66.891 3.985 17.052 0.00 41.34 C ANISOU 2141 CG GLU A 158 5633 4917 5158 -62 -251 351 C ATOM 2142 CD GLU A 158 67.044 2.581 16.479 0.00 43.57 C ANISOU 2142 CD GLU A 158 6085 5194 5277 20 -217 344 C ATOM 2143 OE1 GLU A 158 66.065 2.041 15.916 1.00 44.73 O ANISOU 2143 OE1 GLU A 158 6380 5287 5330 -43 -219 318 O ATOM 2144 OE2 GLU A 158 68.149 2.014 16.593 0.00 43.56 O ANISOU 2144 OE2 GLU A 158 5961 5290 5298 98 -248 361 O ATOM 2145 H GLU A 158 63.100 5.177 17.770 1.00 42.89 H ATOM 2146 HA GLU A 158 65.540 6.322 17.539 1.00 40.86 H ATOM 2147 HB2 GLU A 158 65.492 4.193 18.536 1.00 45.78 H ATOM 2148 HB3 GLU A 158 64.884 3.595 17.200 1.00 45.78 H ATOM 2149 HG2 GLU A 158 67.104 4.620 16.350 1.00 49.61 H ATOM 2150 HG3 GLU A 158 67.519 4.079 17.785 1.00 49.61 H ATOM 2151 N GLN A 159 63.843 5.256 15.035 1.00 22.75 N ANISOU 2151 N GLN A 159 1624 2999 4022 61 -443 409 N ATOM 2152 CA GLN A 159 63.851 5.219 13.582 1.00 20.30 C ANISOU 2152 CA GLN A 159 1493 2562 3658 313 -281 242 C ATOM 2153 C GLN A 159 62.424 5.223 13.075 1.00 16.45 C ANISOU 2153 C GLN A 159 1230 2049 2970 115 -253 64 C ATOM 2154 O GLN A 159 61.591 4.449 13.551 1.00 16.29 O ANISOU 2154 O GLN A 159 1350 2005 2834 -102 -176 20 O ATOM 2155 CB GLN A 159 64.580 3.975 13.057 1.00 23.43 C ANISOU 2155 CB GLN A 159 2151 2780 3973 634 27 198 C ATOM 2156 CG GLN A 159 64.695 3.934 11.535 0.84 27.40 C ANISOU 2156 CG GLN A 159 3113 3038 4259 613 250 146 C ATOM 2157 CD GLN A 159 65.148 2.583 11.011 1.00 30.23 C ANISOU 2157 CD GLN A 159 3712 3292 4481 434 398 95 C ATOM 2158 OE1 GLN A 159 65.704 1.773 11.747 1.00 30.22 O ANISOU 2158 OE1 GLN A 159 3476 3403 4603 470 360 134 O ATOM 2159 NE2 GLN A 159 64.903 2.336 9.729 0.40 31.83 N ANISOU 2159 NE2 GLN A 159 4171 3384 4538 246 501 -4 N ATOM 2160 H GLN A 159 63.141 4.922 15.402 1.00 27.30 H ATOM 2161 HA GLN A 159 64.301 6.007 13.240 1.00 24.36 H ATOM 2162 HB2 GLN A 159 65.477 3.959 13.424 1.00 28.12 H ATOM 2163 HB3 GLN A 159 64.094 3.184 13.340 1.00 28.12 H ATOM 2164 HG2 GLN A 159 63.828 4.129 11.147 1.00 32.88 H ATOM 2165 HG3 GLN A 159 65.342 4.598 11.249 1.00 32.88 H ATOM 2166 HE21 GLN A 159 64.507 2.927 9.245 1.00 38.19 H ATOM 2167 HE22 GLN A 159 65.139 1.585 9.383 1.00 38.19 H ATOM 2168 N LEU A 160 62.158 6.079 12.099 1.00 13.96 N ANISOU 2168 N LEU A 160 1140 1645 2519 156 -123 -17 N ATOM 2169 CA LEU A 160 60.848 6.087 11.474 1.00 12.79 C ANISOU 2169 CA LEU A 160 1177 1560 2124 4 -193 -60 C ATOM 2170 C LEU A 160 60.618 4.748 10.798 1.00 12.62 C ANISOU 2170 C LEU A 160 1258 1541 1996 18 -89 -99 C ATOM 2171 O LEU A 160 61.488 4.235 10.085 1.00 14.21 O ANISOU 2171 O LEU A 160 1555 1633 2211 -18 -25 -147 O ATOM 2172 CB LEU A 160 60.756 7.211 10.444 1.00 12.34 C ANISOU 2172 CB LEU A 160 1200 1578 1911 1 -180 -71 C ATOM 2173 CG LEU A 160 60.860 8.634 10.982 1.00 11.62 C ANISOU 2173 CG LEU A 160 1041 1594 1780 -146 -304 -38 C ATOM 2174 CD1 LEU A 160 60.891 9.607 9.821 1.00 13.25 C ANISOU 2174 CD1 LEU A 160 1524 1695 1815 -210 -67 -4 C ATOM 2175 CD2 LEU A 160 59.704 8.925 11.925 1.00 10.91 C ANISOU 2175 CD2 LEU A 160 941 1567 1638 -258 -609 -114 C ATOM 2176 H LEU A 160 62.711 6.658 11.785 1.00 16.75 H ATOM 2177 HA LEU A 160 60.162 6.220 12.146 1.00 15.35 H ATOM 2178 HB2 LEU A 160 61.473 7.093 9.802 1.00 14.81 H ATOM 2179 HB3 LEU A 160 59.902 7.137 9.990 1.00 14.81 H ATOM 2180 HG LEU A 160 61.688 8.728 11.478 1.00 13.94 H ATOM 2181 HD11 LEU A 160 60.957 10.510 10.168 1.00 15.90 H ATOM 2182 HD12 LEU A 160 61.659 9.409 9.263 1.00 15.90 H ATOM 2183 HD13 LEU A 160 60.074 9.509 9.306 1.00 15.90 H ATOM 2184 HD21 LEU A 160 59.788 9.833 12.256 1.00 13.09 H ATOM 2185 HD22 LEU A 160 58.869 8.824 11.442 1.00 13.09 H ATOM 2186 HD23 LEU A 160 59.736 8.299 12.665 1.00 13.09 H ATOM 2187 N ASP A 161 59.437 4.182 11.021 1.00 10.05 N ANISOU 2187 N ASP A 161 734 1434 1651 -24 -194 -61 N ATOM 2188 CA ASP A 161 59.118 2.913 10.379 1.00 10.17 C ANISOU 2188 CA ASP A 161 1055 1346 1462 57 -154 -54 C ATOM 2189 C ASP A 161 57.636 2.735 10.081 1.00 9.66 C ANISOU 2189 C ASP A 161 1278 1207 1184 76 -278 -173 C ATOM 2190 O ASP A 161 57.257 1.655 9.616 1.00 10.27 O ANISOU 2190 O ASP A 161 1424 1200 1277 50 -107 -358 O ATOM 2191 CB ASP A 161 59.647 1.735 11.222 1.00 10.73 C ANISOU 2191 CB ASP A 161 1087 1446 1543 262 -191 59 C ATOM 2192 CG ASP A 161 58.909 1.553 12.534 1.00 13.32 C ANISOU 2192 CG ASP A 161 1943 1556 1561 297 -384 239 C ATOM 2193 OD1 ASP A 161 59.258 0.602 13.273 1.00 15.43 O ANISOU 2193 OD1 ASP A 161 2415 1747 1702 391 -373 419 O ATOM 2194 OD2 ASP A 161 57.981 2.325 12.834 1.00 12.21 O ANISOU 2194 OD2 ASP A 161 1717 1486 1436 177 -259 160 O ATOM 2195 H ASP A 161 58.818 4.502 11.525 1.00 12.06 H ATOM 2196 HA ASP A 161 59.583 2.884 9.528 1.00 12.20 H ATOM 2197 HB2 ASP A 161 59.552 0.916 10.711 1.00 12.87 H ATOM 2198 HB3 ASP A 161 60.582 1.890 11.426 1.00 12.87 H ATOM 2199 N HIS A 162 56.792 3.744 10.275 1.00 7.71 N ANISOU 2199 N HIS A 162 1050 979 902 69 -348 -4 N ATOM 2200 CA HIS A 162 55.360 3.514 10.182 1.00 7.25 C ANISOU 2200 CA HIS A 162 1010 923 821 200 -284 37 C ATOM 2201 C HIS A 162 54.668 4.828 9.828 1.00 7.92 C ANISOU 2201 C HIS A 162 1341 809 861 63 -468 -24 C ATOM 2202 O HIS A 162 54.985 5.874 10.391 1.00 10.84 O ANISOU 2202 O HIS A 162 2185 731 1201 102 -879 -61 O ATOM 2203 CB HIS A 162 54.852 2.988 11.532 1.00 7.40 C ANISOU 2203 CB HIS A 162 1077 934 802 -11 -325 75 C ATOM 2204 CG HIS A 162 53.421 2.543 11.525 1.00 8.00 C ANISOU 2204 CG HIS A 162 1154 1064 820 -44 -440 122 C ATOM 2205 ND1 HIS A 162 52.866 1.793 10.509 1.00 9.18 N ANISOU 2205 ND1 HIS A 162 1348 1273 868 -110 -261 39 N ATOM 2206 CD2 HIS A 162 52.432 2.733 12.430 1.00 8.34 C ANISOU 2206 CD2 HIS A 162 1114 1145 908 62 -241 194 C ATOM 2207 CE1 HIS A 162 51.596 1.550 10.782 1.00 9.06 C ANISOU 2207 CE1 HIS A 162 1217 1321 904 -82 -25 85 C ATOM 2208 NE2 HIS A 162 51.308 2.100 11.948 1.00 8.32 N ANISOU 2208 NE2 HIS A 162 1019 1220 921 145 -170 136 N ATOM 2209 N GLY A 163 53.727 4.776 8.897 1.00 6.91 N ANISOU 2209 N GLY A 163 982 864 780 50 -318 -54 N ATOM 2210 CA GLY A 163 52.913 5.930 8.562 1.00 5.79 C ANISOU 2210 CA GLY A 163 703 847 650 211 -150 -15 C ATOM 2211 C GLY A 163 51.554 5.820 9.228 1.00 5.17 C ANISOU 2211 C GLY A 163 711 753 502 281 -130 8 C ATOM 2212 O GLY A 163 50.941 4.758 9.223 1.00 6.30 O ANISOU 2212 O GLY A 163 1109 725 560 48 -296 -122 O ATOM 2213 H GLY A 163 53.540 4.073 8.439 1.00 8.29 H ATOM 2214 HA2 GLY A 163 53.348 6.741 8.866 1.00 6.95 H ATOM 2215 HA3 GLY A 163 52.790 5.980 7.601 1.00 6.95 H ATOM 2216 N VAL A 164 51.088 6.949 9.771 1.00 4.58 N ANISOU 2216 N VAL A 164 660 720 359 135 -195 -40 N ATOM 2217 CA VAL A 164 49.812 7.043 10.466 1.00 4.98 C ANISOU 2217 CA VAL A 164 823 698 371 3 -193 -38 C ATOM 2218 C VAL A 164 49.196 8.395 10.152 1.00 4.62 C ANISOU 2218 C VAL A 164 653 726 375 -50 -261 2 C ATOM 2219 O VAL A 164 49.733 9.163 9.354 1.00 4.82 O ANISOU 2219 O VAL A 164 868 648 317 -44 -208 30 O ATOM 2220 CB VAL A 164 49.965 6.815 11.985 1.00 5.65 C ANISOU 2220 CB VAL A 164 843 866 436 25 -240 77 C ATOM 2221 CG1 VAL A 164 50.409 5.374 12.273 1.00 6.95 C ANISOU 2221 CG1 VAL A 164 1128 950 561 18 -230 180 C ATOM 2222 CG2 VAL A 164 50.937 7.827 12.611 1.00 6.71 C ANISOU 2222 CG2 VAL A 164 946 1102 502 -41 -230 56 C ATOM 2223 H VAL A 164 51.513 7.697 9.746 1.00 5.49 H ATOM 2224 HA VAL A 164 49.218 6.358 10.122 1.00 5.98 H ATOM 2225 HB VAL A 164 49.100 6.944 12.405 1.00 6.77 H ATOM 2226 HG11 VAL A 164 50.498 5.257 13.231 1.00 8.33 H ATOM 2227 HG12 VAL A 164 49.741 4.763 11.924 1.00 8.33 H ATOM 2228 HG13 VAL A 164 51.262 5.215 11.839 1.00 8.33 H ATOM 2229 HG21 VAL A 164 51.005 7.651 13.563 1.00 8.05 H ATOM 2230 HG22 VAL A 164 51.806 7.729 12.193 1.00 8.05 H ATOM 2231 HG23 VAL A 164 50.597 8.723 12.463 1.00 8.05 H ATOM 2232 N LEU A 165 48.082 8.704 10.795 1.00 5.35 N ANISOU 2232 N LEU A 165 826 795 410 74 -251 85 N ATOM 2233 CA LEU A 165 47.335 9.918 10.492 1.00 5.16 C ANISOU 2233 CA LEU A 165 820 714 425 225 -224 14 C ATOM 2234 C LEU A 165 47.013 10.665 11.778 1.00 5.47 C ANISOU 2234 C LEU A 165 1017 648 412 114 -171 33 C ATOM 2235 O LEU A 165 46.302 10.138 12.639 1.00 5.31 O ANISOU 2235 O LEU A 165 947 729 340 -147 -160 -22 O ATOM 2236 CB LEU A 165 46.040 9.568 9.753 1.00 5.22 C ANISOU 2236 CB LEU A 165 837 681 467 93 -267 -66 C ATOM 2237 CG LEU A 165 45.202 10.745 9.260 1.00 6.31 C ANISOU 2237 CG LEU A 165 1053 759 584 -5 -293 -64 C ATOM 2238 CD1 LEU A 165 45.899 11.434 8.093 1.00 7.00 C ANISOU 2238 CD1 LEU A 165 1239 848 573 -39 -97 -56 C ATOM 2239 CD2 LEU A 165 43.844 10.243 8.859 1.00 6.74 C ANISOU 2239 CD2 LEU A 165 1191 781 590 93 -369 -91 C ATOM 2240 H LEU A 165 47.732 8.224 11.417 1.00 6.41 H ATOM 2241 HA LEU A 165 47.869 10.495 9.924 1.00 6.19 H ATOM 2242 HB2 LEU A 165 46.268 9.032 8.977 1.00 6.27 H ATOM 2243 HB3 LEU A 165 45.481 9.046 10.350 1.00 6.27 H ATOM 2244 HG LEU A 165 45.093 11.388 9.977 1.00 7.57 H ATOM 2245 HD11 LEU A 165 45.353 12.177 7.794 1.00 8.40 H ATOM 2246 HD12 LEU A 165 46.765 11.756 8.389 1.00 8.40 H ATOM 2247 HD13 LEU A 165 46.013 10.795 7.372 1.00 8.40 H ATOM 2248 HD21 LEU A 165 43.311 10.990 8.545 1.00 8.09 H ATOM 2249 HD22 LEU A 165 43.946 9.589 8.150 1.00 8.09 H ATOM 2250 HD23 LEU A 165 43.419 9.833 9.629 1.00 8.09 H ATOM 2251 N LEU A 166 47.535 11.891 11.913 1.00 5.20 N ANISOU 2251 N LEU A 166 839 675 461 -17 -110 48 N ATOM 2252 CA LEU A 166 47.119 12.763 13.011 1.00 5.43 C ANISOU 2252 CA LEU A 166 865 743 454 69 -199 49 C ATOM 2253 C LEU A 166 45.720 13.276 12.727 1.00 5.13 C ANISOU 2253 C LEU A 166 816 692 441 64 -315 -27 C ATOM 2254 O LEU A 166 45.480 13.872 11.670 1.00 5.89 O ANISOU 2254 O LEU A 166 1044 756 439 56 -305 43 O ATOM 2255 CB LEU A 166 48.033 13.975 13.130 1.00 7.15 C ANISOU 2255 CB LEU A 166 1175 900 642 83 -182 90 C ATOM 2256 CG LEU A 166 49.516 13.805 13.407 1.00 7.81 C ANISOU 2256 CG LEU A 166 1198 1011 757 -179 -285 163 C ATOM 2257 CD1 LEU A 166 50.176 15.154 13.443 1.00 7.59 C ANISOU 2257 CD1 LEU A 166 1241 929 715 -403 -155 68 C ATOM 2258 CD2 LEU A 166 49.695 13.096 14.717 1.00 8.97 C ANISOU 2258 CD2 LEU A 166 1361 1161 888 -382 -551 332 C ATOM 2259 H LEU A 166 48.124 12.234 11.388 1.00 6.24 H ATOM 2260 HA LEU A 166 47.119 12.275 13.850 1.00 6.51 H ATOM 2261 HB2 LEU A 166 47.967 14.468 12.298 1.00 8.58 H ATOM 2262 HB3 LEU A 166 47.685 14.529 13.846 1.00 8.58 H ATOM 2263 HG LEU A 166 49.924 13.274 12.705 1.00 9.37 H ATOM 2264 HD11 LEU A 166 51.123 15.037 13.620 1.00 9.11 H ATOM 2265 HD12 LEU A 166 50.051 15.588 12.585 1.00 9.11 H ATOM 2266 HD13 LEU A 166 49.771 15.685 14.146 1.00 9.11 H ATOM 2267 HD21 LEU A 166 50.643 12.989 14.891 1.00 10.77 H ATOM 2268 HD22 LEU A 166 49.287 13.625 15.420 1.00 10.77 H ATOM 2269 HD23 LEU A 166 49.268 12.227 14.666 1.00 10.77 H ATOM 2270 N VAL A 167 44.796 13.055 13.654 1.00 5.17 N ANISOU 2270 N VAL A 167 774 767 424 10 -304 10 N ATOM 2271 CA VAL A 167 43.441 13.575 13.500 1.00 5.58 C ANISOU 2271 CA VAL A 167 830 822 467 48 -283 -65 C ATOM 2272 C VAL A 167 43.082 14.644 14.511 1.00 5.83 C ANISOU 2272 C VAL A 167 1011 817 387 -8 -259 -63 C ATOM 2273 O VAL A 167 42.016 15.259 14.382 1.00 5.64 O ANISOU 2273 O VAL A 167 935 825 383 60 -257 -82 O ATOM 2274 CB VAL A 167 42.375 12.456 13.502 1.00 6.90 C ANISOU 2274 CB VAL A 167 918 1012 692 -188 -104 -174 C ATOM 2275 CG1 VAL A 167 42.680 11.420 12.429 1.00 7.19 C ANISOU 2275 CG1 VAL A 167 1007 982 743 -192 -222 -180 C ATOM 2276 CG2 VAL A 167 42.242 11.800 14.857 1.00 8.70 C ANISOU 2276 CG2 VAL A 167 1313 1172 821 -277 -54 -136 C ATOM 2277 H VAL A 167 44.926 12.609 14.378 1.00 6.21 H ATOM 2278 HA VAL A 167 43.393 13.998 12.629 1.00 6.69 H ATOM 2279 HB VAL A 167 41.516 12.852 13.286 1.00 8.28 H ATOM 2280 HG11 VAL A 167 41.998 10.731 12.452 1.00 8.63 H ATOM 2281 HG12 VAL A 167 42.683 11.855 11.562 1.00 8.63 H ATOM 2282 HG13 VAL A 167 43.551 11.029 12.606 1.00 8.63 H ATOM 2283 HG21 VAL A 167 41.564 11.108 14.807 1.00 10.44 H ATOM 2284 HG22 VAL A 167 43.095 11.411 15.104 1.00 10.44 H ATOM 2285 HG23 VAL A 167 41.983 12.471 15.508 1.00 10.44 H ATOM 2286 N GLY A 168 43.920 14.890 15.506 1.00 5.04 N ANISOU 2286 N GLY A 168 763 745 407 24 -276 -98 N ATOM 2287 CA GLY A 168 43.588 15.860 16.529 1.00 5.21 C ANISOU 2287 CA GLY A 168 863 685 431 12 -287 -116 C ATOM 2288 C GLY A 168 44.656 15.910 17.595 1.00 4.62 C ANISOU 2288 C GLY A 168 772 617 368 40 -224 -136 C ATOM 2289 O GLY A 168 45.713 15.288 17.477 1.00 4.94 O ANISOU 2289 O GLY A 168 808 683 385 -21 -198 -11 O ATOM 2290 H GLY A 168 44.683 14.508 15.610 1.00 6.05 H ATOM 2291 HA2 GLY A 168 43.504 16.741 16.131 1.00 6.25 H ATOM 2292 HA3 GLY A 168 42.744 15.624 16.945 1.00 6.25 H ATOM 2293 N TYR A 169 44.364 16.692 18.631 1.00 4.78 N ANISOU 2293 N TYR A 169 758 673 386 91 -227 -162 N ATOM 2294 CA TYR A 169 45.261 16.836 19.772 1.00 5.42 C ANISOU 2294 CA TYR A 169 849 781 431 100 -274 -151 C ATOM 2295 C TYR A 169 44.460 17.423 20.923 1.00 5.69 C ANISOU 2295 C TYR A 169 801 893 469 -3 -297 -152 C ATOM 2296 O TYR A 169 43.349 17.921 20.750 1.00 6.25 O ANISOU 2296 O TYR A 169 904 1008 463 -46 -316 -115 O ATOM 2297 CB TYR A 169 46.469 17.733 19.442 1.00 5.72 C ANISOU 2297 CB TYR A 169 889 848 435 265 -253 -151 C ATOM 2298 CG TYR A 169 46.096 19.162 19.096 1.00 5.53 C ANISOU 2298 CG TYR A 169 701 921 478 71 -228 -173 C ATOM 2299 CD1 TYR A 169 45.952 20.113 20.083 1.00 6.12 C ANISOU 2299 CD1 TYR A 169 898 883 545 -51 -204 -201 C ATOM 2300 CD2 TYR A 169 45.902 19.559 17.781 1.00 6.08 C ANISOU 2300 CD2 TYR A 169 944 901 466 -12 -289 -151 C ATOM 2301 CE1 TYR A 169 45.585 21.423 19.779 1.00 7.19 C ANISOU 2301 CE1 TYR A 169 1152 924 657 -79 -139 -218 C ATOM 2302 CE2 TYR A 169 45.545 20.849 17.471 1.00 6.94 C ANISOU 2302 CE2 TYR A 169 1198 925 514 -134 -229 -125 C ATOM 2303 CZ TYR A 169 45.380 21.775 18.475 1.00 7.44 C ANISOU 2303 CZ TYR A 169 1237 924 665 -16 -197 -137 C ATOM 2304 OH TYR A 169 45.031 23.061 18.153 1.00 7.87 O ANISOU 2304 OH TYR A 169 1435 888 668 -22 -158 -115 O ATOM 2305 H TYR A 169 43.643 17.155 18.697 1.00 5.74 H ATOM 2306 HA TYR A 169 45.589 15.963 20.039 1.00 6.51 H ATOM 2307 HB2 TYR A 169 47.058 17.759 20.212 1.00 6.86 H ATOM 2308 HB3 TYR A 169 46.938 17.357 18.682 1.00 6.86 H ATOM 2309 HD1 TYR A 169 46.073 19.868 20.972 1.00 7.35 H ATOM 2310 HD2 TYR A 169 45.992 18.934 17.098 1.00 7.30 H ATOM 2311 HE1 TYR A 169 45.482 22.051 20.457 1.00 8.63 H ATOM 2312 HE2 TYR A 169 45.407 21.094 16.584 1.00 8.33 H ATOM 2313 HH TYR A 169 44.979 23.528 18.849 1.00 9.45 H ATOM 2314 N ASN A 170 45.070 17.387 22.102 1.00 5.40 N ANISOU 2314 N ASN A 170 774 854 425 -26 -272 -136 N ATOM 2315 CA ASN A 170 44.504 18.047 23.282 1.00 5.87 C ANISOU 2315 CA ASN A 170 851 948 432 46 -262 -161 C ATOM 2316 C ASN A 170 45.676 18.624 24.065 1.00 6.07 C ANISOU 2316 C ASN A 170 935 876 494 41 -306 -135 C ATOM 2317 O ASN A 170 46.430 17.884 24.703 1.00 6.30 O ANISOU 2317 O ASN A 170 1018 824 552 112 -364 -171 O ATOM 2318 CB ASN A 170 43.666 17.095 24.125 1.00 6.77 C ANISOU 2318 CB ASN A 170 853 1170 549 47 -221 -141 C ATOM 2319 CG ASN A 170 43.005 17.790 25.282 1.00 8.40 C ANISOU 2319 CG ASN A 170 1161 1370 659 -42 -107 -83 C ATOM 2320 OD1 ASN A 170 43.211 18.985 25.504 1.00 8.01 O ANISOU 2320 OD1 ASN A 170 966 1411 665 -119 -65 -122 O ATOM 2321 ND2 ASN A 170 42.205 17.052 26.028 1.00 9.24 N ANISOU 2321 ND2 ASN A 170 1196 1514 801 -177 -32 -48 N ATOM 2322 H ASN A 170 45.817 16.986 22.250 1.00 6.48 H ATOM 2323 HA ASN A 170 43.937 18.781 22.997 1.00 7.05 H ATOM 2324 HB2 ASN A 170 42.971 16.707 23.570 1.00 8.12 H ATOM 2325 HB3 ASN A 170 44.238 16.397 24.479 1.00 8.12 H ATOM 2326 HD21 ASN A 170 41.802 17.402 26.703 1.00 11.09 H ATOM 2327 HD22 ASN A 170 42.086 16.221 25.840 1.00 11.09 H ATOM 2328 N ASP A 171 45.842 19.943 23.969 1.00 5.73 N ANISOU 2328 N ASP A 171 860 841 476 40 -273 -111 N ATOM 2329 CA ASP A 171 46.898 20.654 24.681 1.00 6.58 C ANISOU 2329 CA ASP A 171 957 1025 519 -113 -295 -221 C ATOM 2330 C ASP A 171 46.542 20.959 26.125 1.00 8.09 C ANISOU 2330 C ASP A 171 1310 1219 544 -33 -277 -202 C ATOM 2331 O ASP A 171 47.416 21.439 26.862 1.00 8.59 O ANISOU 2331 O ASP A 171 1247 1393 622 -100 -409 -197 O ATOM 2332 CB ASP A 171 47.212 21.978 23.978 1.00 7.49 C ANISOU 2332 CB ASP A 171 1089 1071 685 -69 -304 -176 C ATOM 2333 CG ASP A 171 48.095 21.810 22.746 1.00 8.34 C ANISOU 2333 CG ASP A 171 1241 1150 776 35 -339 -134 C ATOM 2334 OD1 ASP A 171 48.048 22.683 21.843 1.00 9.09 O ANISOU 2334 OD1 ASP A 171 1378 1291 786 -30 -351 38 O ATOM 2335 OD2 ASP A 171 48.842 20.816 22.674 1.00 9.32 O ANISOU 2335 OD2 ASP A 171 1473 1221 848 300 -118 -209 O ATOM 2336 H ASP A 171 45.345 20.455 23.489 1.00 6.88 H ATOM 2337 HA ASP A 171 47.702 20.112 24.677 1.00 7.90 H ATOM 2338 HB2 ASP A 171 46.380 22.390 23.696 1.00 8.99 H ATOM 2339 HB3 ASP A 171 47.675 22.562 24.600 1.00 8.99 H ATOM 2340 N SER A 172 45.318 20.682 26.547 1.00 7.53 N ANISOU 2340 N SER A 172 1179 1237 444 126 -250 -111 N ATOM 2341 CA SER A 172 44.895 21.074 27.887 1.00 7.61 C ANISOU 2341 CA SER A 172 1033 1371 489 229 -177 -122 C ATOM 2342 C SER A 172 45.147 19.997 28.938 1.00 7.91 C ANISOU 2342 C SER A 172 1174 1334 498 158 -270 -173 C ATOM 2343 O SER A 172 45.103 20.297 30.138 1.00 9.03 O ANISOU 2343 O SER A 172 1449 1467 514 142 -193 -243 O ATOM 2344 CB SER A 172 43.412 21.452 27.889 1.00 8.85 C ANISOU 2344 CB SER A 172 1200 1550 613 239 -151 -150 C ATOM 2345 OG SER A 172 42.601 20.304 27.802 1.00 8.82 O ANISOU 2345 OG SER A 172 976 1678 696 256 -219 -125 O ATOM 2346 H SER A 172 44.719 20.273 26.085 1.00 9.03 H ATOM 2347 HA SER A 172 45.397 21.861 28.150 1.00 9.14 H ATOM 2348 HB2 SER A 172 43.207 21.922 28.713 1.00 10.62 H ATOM 2349 HB3 SER A 172 43.232 22.025 27.127 1.00 10.62 H ATOM 2350 HG SER A 172 42.768 19.887 27.092 1.00 10.58 H ATOM 2351 N ALA A 173 45.393 18.757 28.523 1.00 8.10 N ANISOU 2351 N ALA A 173 1213 1279 587 339 -347 -140 N ATOM 2352 CA ALA A 173 45.619 17.673 29.461 1.00 8.43 C ANISOU 2352 CA ALA A 173 1279 1318 605 216 -282 -139 C ATOM 2353 C ALA A 173 46.957 17.846 30.182 1.00 8.68 C ANISOU 2353 C ALA A 173 1279 1463 555 261 -286 -100 C ATOM 2354 O ALA A 173 47.871 18.525 29.714 1.00 8.42 O ANISOU 2354 O ALA A 173 1268 1378 554 273 -322 -112 O ATOM 2355 CB ALA A 173 45.583 16.325 28.730 1.00 8.69 C ANISOU 2355 CB ALA A 173 1311 1309 681 153 -355 -136 C ATOM 2356 H ALA A 173 45.433 18.520 27.698 1.00 9.72 H ATOM 2357 HA ALA A 173 44.914 17.675 30.127 1.00 10.11 H ATOM 2358 HB1 ALA A 173 45.736 15.614 29.371 1.00 10.43 H ATOM 2359 HB2 ALA A 173 44.714 16.215 28.314 1.00 10.43 H ATOM 2360 HB3 ALA A 173 46.278 16.315 28.053 1.00 10.43 H ATOM 2361 N ALA A 174 47.071 17.212 31.346 1.00 9.29 N ANISOU 2361 N ALA A 174 1230 1716 585 234 -293 4 N ATOM 2362 CA ALA A 174 48.303 17.344 32.118 1.00 9.98 C ANISOU 2362 CA ALA A 174 1374 1849 570 157 -261 -94 C ATOM 2363 C ALA A 174 49.508 16.900 31.304 1.00 9.30 C ANISOU 2363 C ALA A 174 1245 1669 618 -32 -345 -136 C ATOM 2364 O ALA A 174 50.552 17.569 31.312 1.00 9.35 O ANISOU 2364 O ALA A 174 1254 1657 643 36 -312 -303 O ATOM 2365 CB ALA A 174 48.205 16.572 33.430 1.00 11.82 C ANISOU 2365 CB ALA A 174 1729 2112 651 232 -37 12 C ATOM 2366 H ALA A 174 46.468 16.712 31.702 1.00 11.15 H ATOM 2367 HA ALA A 174 48.430 18.280 32.339 1.00 11.98 H ATOM 2368 HB1 ALA A 174 49.035 16.677 33.921 1.00 14.19 H ATOM 2369 HB2 ALA A 174 47.466 16.926 33.950 1.00 14.19 H ATOM 2370 HB3 ALA A 174 48.053 15.634 33.234 1.00 14.19 H ATOM 2371 N VAL A 175 49.384 15.770 30.611 1.00 8.66 N ANISOU 2371 N VAL A 175 1184 1497 610 17 -404 -112 N ATOM 2372 CA VAL A 175 50.309 15.397 29.544 1.00 7.89 C ANISOU 2372 CA VAL A 175 1029 1285 683 22 -440 -163 C ATOM 2373 C VAL A 175 49.564 15.639 28.239 1.00 7.41 C ANISOU 2373 C VAL A 175 990 1156 671 29 -331 -238 C ATOM 2374 O VAL A 175 48.653 14.865 27.892 1.00 7.88 O ANISOU 2374 O VAL A 175 1097 1182 715 23 -392 -206 O ATOM 2375 CB VAL A 175 50.776 13.940 29.664 1.00 8.37 C ANISOU 2375 CB VAL A 175 986 1327 869 -27 -462 -101 C ATOM 2376 CG1 VAL A 175 51.668 13.581 28.487 1.00 8.95 C ANISOU 2376 CG1 VAL A 175 1096 1324 981 -12 -280 -111 C ATOM 2377 CG2 VAL A 175 51.524 13.732 30.972 1.00 9.70 C ANISOU 2377 CG2 VAL A 175 1141 1505 1041 173 -475 -68 C ATOM 2378 H VAL A 175 48.759 15.194 30.742 1.00 10.39 H ATOM 2379 HA VAL A 175 51.088 15.976 29.570 1.00 9.47 H ATOM 2380 HB VAL A 175 50.004 13.352 29.654 1.00 10.05 H ATOM 2381 HG11 VAL A 175 51.954 12.659 28.578 1.00 10.74 H ATOM 2382 HG12 VAL A 175 51.166 13.694 27.665 1.00 10.74 H ATOM 2383 HG13 VAL A 175 52.440 14.169 28.487 1.00 10.74 H ATOM 2384 HG21 VAL A 175 51.810 12.806 31.029 1.00 11.64 H ATOM 2385 HG22 VAL A 175 52.297 14.318 30.991 1.00 11.64 H ATOM 2386 HG23 VAL A 175 50.932 13.941 31.711 1.00 11.64 H ATOM 2387 N PRO A 176 49.876 16.707 27.514 1.00 7.15 N ANISOU 2387 N PRO A 176 986 1114 617 -42 -242 -217 N ATOM 2388 CA PRO A 176 49.186 16.971 26.251 1.00 6.42 C ANISOU 2388 CA PRO A 176 777 1092 571 2 -317 -123 C ATOM 2389 C PRO A 176 49.440 15.828 25.284 1.00 5.66 C ANISOU 2389 C PRO A 176 707 1010 434 50 -246 -130 C ATOM 2390 O PRO A 176 50.454 15.144 25.365 1.00 6.19 O ANISOU 2390 O PRO A 176 842 1074 435 60 -232 -183 O ATOM 2391 CB PRO A 176 49.829 18.274 25.755 1.00 8.19 C ANISOU 2391 CB PRO A 176 1154 1161 796 -235 -497 -56 C ATOM 2392 CG PRO A 176 51.000 18.492 26.562 1.00 10.80 C ANISOU 2392 CG PRO A 176 1858 1388 856 -397 -337 52 C ATOM 2393 CD PRO A 176 50.945 17.678 27.786 1.00 8.13 C ANISOU 2393 CD PRO A 176 1055 1272 763 -294 -166 -117 C ATOM 2394 HA PRO A 176 48.233 17.095 26.388 1.00 7.71 H ATOM 2395 HB2 PRO A 176 50.075 18.177 24.822 1.00 9.83 H ATOM 2396 HB3 PRO A 176 49.201 19.005 25.865 1.00 9.83 H ATOM 2397 HG2 PRO A 176 51.783 18.250 26.044 1.00 12.96 H ATOM 2398 HG3 PRO A 176 51.043 19.432 26.798 1.00 12.96 H ATOM 2399 HD2 PRO A 176 51.789 17.220 27.924 1.00 9.76 H ATOM 2400 HD3 PRO A 176 50.712 18.231 28.548 1.00 9.76 H ATOM 2401 N TYR A 177 48.517 15.638 24.332 1.00 5.50 N ANISOU 2401 N TYR A 177 762 907 422 -39 -282 -104 N ATOM 2402 CA TYR A 177 48.603 14.474 23.462 1.00 5.44 C ANISOU 2402 CA TYR A 177 814 851 403 -38 -285 -52 C ATOM 2403 C TYR A 177 48.124 14.755 22.048 1.00 5.11 C ANISOU 2403 C TYR A 177 713 816 413 26 -173 -4 C ATOM 2404 O TYR A 177 47.292 15.640 21.797 1.00 5.77 O ANISOU 2404 O TYR A 177 1000 774 418 119 -287 -51 O ATOM 2405 CB TYR A 177 47.863 13.266 24.041 1.00 6.34 C ANISOU 2405 CB TYR A 177 1107 870 432 -84 -272 -90 C ATOM 2406 CG TYR A 177 46.401 13.476 24.350 1.00 7.37 C ANISOU 2406 CG TYR A 177 1233 985 582 -40 -193 -138 C ATOM 2407 CD1 TYR A 177 45.431 13.332 23.362 1.00 7.83 C ANISOU 2407 CD1 TYR A 177 1263 1014 698 55 -83 -188 C ATOM 2408 CD2 TYR A 177 45.973 13.786 25.638 1.00 8.52 C ANISOU 2408 CD2 TYR A 177 1357 1157 722 -194 -49 -107 C ATOM 2409 CE1 TYR A 177 44.100 13.506 23.651 1.00 8.77 C ANISOU 2409 CE1 TYR A 177 1290 1158 884 -219 75 -175 C ATOM 2410 CE2 TYR A 177 44.650 13.964 25.918 1.00 9.79 C ANISOU 2410 CE2 TYR A 177 1573 1254 892 -375 279 -105 C ATOM 2411 CZ TYR A 177 43.712 13.817 24.923 1.00 10.04 C ANISOU 2411 CZ TYR A 177 1331 1336 1146 -488 355 -188 C ATOM 2412 OH TYR A 177 42.379 14.005 25.194 1.00 11.88 O ANISOU 2412 OH TYR A 177 1466 1500 1546 -504 411 -240 O ATOM 2413 H TYR A 177 47.850 16.158 24.177 1.00 6.60 H ATOM 2414 HA TYR A 177 49.538 14.224 23.396 1.00 6.53 H ATOM 2415 HB2 TYR A 177 47.923 12.537 23.404 1.00 7.61 H ATOM 2416 HB3 TYR A 177 48.300 13.008 24.868 1.00 7.61 H ATOM 2417 HD1 TYR A 177 45.688 13.117 22.495 1.00 9.40 H ATOM 2418 HD2 TYR A 177 46.601 13.885 26.317 1.00 10.22 H ATOM 2419 HE1 TYR A 177 43.463 13.414 22.979 1.00 10.52 H ATOM 2420 HE2 TYR A 177 44.382 14.178 26.782 1.00 11.75 H ATOM 2421 HH TYR A 177 42.275 14.190 26.006 1.00 14.25 H ATOM 2422 N TRP A 178 48.708 13.999 21.124 1.00 5.25 N ANISOU 2422 N TRP A 178 925 718 350 11 -236 -37 N ATOM 2423 CA TRP A 178 48.187 13.844 19.778 1.00 4.87 C ANISOU 2423 CA TRP A 178 887 646 319 12 -204 -48 C ATOM 2424 C TRP A 178 47.185 12.695 19.756 1.00 5.43 C ANISOU 2424 C TRP A 178 1052 641 371 64 -238 6 C ATOM 2425 O TRP A 178 47.315 11.721 20.504 1.00 5.81 O ANISOU 2425 O TRP A 178 971 755 482 -5 -341 80 O ATOM 2426 CB TRP A 178 49.327 13.443 18.848 1.00 5.93 C ANISOU 2426 CB TRP A 178 1092 728 432 -89 -198 -58 C ATOM 2427 CG TRP A 178 50.335 14.496 18.562 1.00 5.80 C ANISOU 2427 CG TRP A 178 962 788 453 -183 -300 14 C ATOM 2428 CD1 TRP A 178 51.632 14.521 18.978 1.00 6.18 C ANISOU 2428 CD1 TRP A 178 936 886 527 -141 -148 -20 C ATOM 2429 CD2 TRP A 178 50.149 15.664 17.755 1.00 5.83 C ANISOU 2429 CD2 TRP A 178 1015 821 381 -71 -188 103 C ATOM 2430 NE1 TRP A 178 52.269 15.633 18.476 1.00 6.42 N ANISOU 2430 NE1 TRP A 178 991 960 490 -20 -149 82 N ATOM 2431 CE2 TRP A 178 51.376 16.348 17.715 1.00 6.03 C ANISOU 2431 CE2 TRP A 178 934 888 468 -61 -127 133 C ATOM 2432 CE3 TRP A 178 49.056 16.198 17.050 1.00 6.48 C ANISOU 2432 CE3 TRP A 178 1209 866 386 5 -185 114 C ATOM 2433 CZ2 TRP A 178 51.550 17.551 16.995 1.00 6.72 C ANISOU 2433 CZ2 TRP A 178 1128 903 523 123 -116 114 C ATOM 2434 CZ3 TRP A 178 49.230 17.402 16.343 1.00 6.58 C ANISOU 2434 CZ3 TRP A 178 1121 927 452 -81 -117 51 C ATOM 2435 CH2 TRP A 178 50.470 18.058 16.318 1.00 6.53 C ANISOU 2435 CH2 TRP A 178 1053 884 543 60 -7 74 C ATOM 2436 N ILE A 179 46.238 12.778 18.820 1.00 4.79 N ANISOU 2436 N ILE A 179 871 591 357 30 -252 -18 N ATOM 2437 CA ILE A 179 45.282 11.712 18.551 1.00 5.72 C ANISOU 2437 CA ILE A 179 1015 741 417 6 -297 1 C ATOM 2438 C ILE A 179 45.595 11.173 17.164 1.00 5.33 C ANISOU 2438 C ILE A 179 905 699 423 100 -284 54 C ATOM 2439 O ILE A 179 45.549 11.923 16.181 1.00 5.44 O ANISOU 2439 O ILE A 179 926 707 434 -16 -310 52 O ATOM 2440 CB ILE A 179 43.834 12.226 18.607 1.00 5.87 C ANISOU 2440 CB ILE A 179 846 925 459 -30 -284 -40 C ATOM 2441 CG1 ILE A 179 43.504 12.863 19.961 1.00 6.52 C ANISOU 2441 CG1 ILE A 179 946 1059 474 89 -238 -111 C ATOM 2442 CG2 ILE A 179 42.887 11.102 18.304 1.00 7.20 C ANISOU 2442 CG2 ILE A 179 1037 1064 635 -192 -289 -14 C ATOM 2443 CD1 ILE A 179 42.220 13.632 19.964 1.00 7.62 C ANISOU 2443 CD1 ILE A 179 1227 1108 559 103 -126 -85 C ATOM 2444 H ILE A 179 46.130 13.466 18.315 1.00 5.74 H ATOM 2445 HA ILE A 179 45.389 10.998 19.199 1.00 6.86 H ATOM 2446 HB ILE A 179 43.728 12.903 17.921 1.00 7.04 H ATOM 2447 HG12 ILE A 179 43.433 12.163 20.628 1.00 7.83 H ATOM 2448 HG13 ILE A 179 44.218 13.475 20.201 1.00 7.83 H ATOM 2449 HG21 ILE A 179 41.977 11.438 18.342 1.00 8.64 H ATOM 2450 HG22 ILE A 179 43.077 10.760 17.416 1.00 8.64 H ATOM 2451 HG23 ILE A 179 43.009 10.401 18.962 1.00 8.64 H ATOM 2452 HD11 ILE A 179 42.078 14.005 20.848 1.00 9.14 H ATOM 2453 HD12 ILE A 179 42.279 14.346 19.309 1.00 9.14 H ATOM 2454 HD13 ILE A 179 41.493 13.032 19.736 1.00 9.14 H ATOM 2455 N ILE A 180 45.862 9.870 17.072 1.00 5.72 N ANISOU 2455 N ILE A 180 1083 701 391 91 -236 38 N ATOM 2456 CA ILE A 180 46.391 9.251 15.858 1.00 5.72 C ANISOU 2456 CA ILE A 180 973 765 435 138 -225 -14 C ATOM 2457 C ILE A 180 45.546 8.056 15.443 1.00 6.13 C ANISOU 2457 C ILE A 180 1135 786 407 69 -267 0 C ATOM 2458 O ILE A 180 45.302 7.149 16.248 1.00 5.66 O ANISOU 2458 O ILE A 180 919 815 415 47 -296 -40 O ATOM 2459 CB ILE A 180 47.841 8.792 16.087 1.00 6.87 C ANISOU 2459 CB ILE A 180 979 988 644 189 -357 -24 C ATOM 2460 CG1 ILE A 180 48.732 10.003 16.367 1.00 9.04 C ANISOU 2460 CG1 ILE A 180 1435 1000 1001 -112 -442 21 C ATOM 2461 CG2 ILE A 180 48.360 7.994 14.908 1.00 8.71 C ANISOU 2461 CG2 ILE A 180 1393 1247 670 127 -294 -141 C ATOM 2462 CD1 ILE A 180 50.197 9.710 16.647 1.00 8.39 C ANISOU 2462 CD1 ILE A 180 1227 920 1042 -4 -526 -17 C ATOM 2463 H ILE A 180 45.743 9.312 17.715 1.00 6.87 H ATOM 2464 HA ILE A 180 46.384 9.898 15.135 1.00 6.86 H ATOM 2465 HB ILE A 180 47.855 8.219 16.870 1.00 8.25 H ATOM 2466 HG12 ILE A 180 48.698 10.590 15.595 1.00 10.85 H ATOM 2467 HG13 ILE A 180 48.378 10.469 17.141 1.00 10.85 H ATOM 2468 HG21 ILE A 180 49.274 7.722 15.089 1.00 10.45 H ATOM 2469 HG22 ILE A 180 47.800 7.211 14.786 1.00 10.45 H ATOM 2470 HG23 ILE A 180 48.331 8.549 14.113 1.00 10.45 H ATOM 2471 HD11 ILE A 180 50.661 10.546 16.809 1.00 10.07 H ATOM 2472 HD12 ILE A 180 50.260 9.139 17.429 1.00 10.07 H ATOM 2473 HD13 ILE A 180 50.581 9.261 15.878 1.00 10.07 H ATOM 2474 N LYS A 181 45.131 8.044 14.168 1.00 4.99 N ANISOU 2474 N LYS A 181 817 709 371 -39 -266 13 N ATOM 2475 CA LYS A 181 44.473 6.895 13.555 1.00 4.73 C ANISOU 2475 CA LYS A 181 718 740 341 -78 -211 20 C ATOM 2476 C LYS A 181 45.529 5.933 13.034 1.00 4.83 C ANISOU 2476 C LYS A 181 800 699 338 -101 -165 -22 C ATOM 2477 O LYS A 181 46.403 6.326 12.259 1.00 5.15 O ANISOU 2477 O LYS A 181 974 569 413 -47 -149 73 O ATOM 2478 CB LYS A 181 43.616 7.366 12.386 1.00 5.25 C ANISOU 2478 CB LYS A 181 836 779 378 -57 -154 68 C ATOM 2479 CG LYS A 181 42.745 6.302 11.738 1.00 6.32 C ANISOU 2479 CG LYS A 181 854 984 564 36 -329 -61 C ATOM 2480 CD LYS A 181 42.119 6.799 10.440 1.00 6.91 C ANISOU 2480 CD LYS A 181 956 1004 664 47 -392 -145 C ATOM 2481 CE LYS A 181 41.096 5.819 9.897 1.00 7.62 C ANISOU 2481 CE LYS A 181 1131 1081 682 235 -415 -111 C ATOM 2482 NZ LYS A 181 40.633 6.141 8.530 1.00 7.94 N ANISOU 2482 NZ LYS A 181 1199 1114 702 228 -366 -54 N ATOM 2483 H LYS A 181 45.224 8.709 13.631 1.00 5.99 H ATOM 2484 HA LYS A 181 43.913 6.440 14.203 1.00 5.68 H ATOM 2485 HB2 LYS A 181 43.028 8.070 12.701 1.00 6.29 H ATOM 2486 HB3 LYS A 181 44.203 7.719 11.699 1.00 6.29 H ATOM 2487 HG2 LYS A 181 43.288 5.525 11.534 1.00 7.59 H ATOM 2488 HG3 LYS A 181 42.029 6.061 12.347 1.00 7.59 H ATOM 2489 HD2 LYS A 181 41.672 7.644 10.604 1.00 8.29 H ATOM 2490 HD3 LYS A 181 42.815 6.912 9.773 1.00 8.29 H ATOM 2491 HE2 LYS A 181 41.491 4.933 9.876 1.00 9.14 H ATOM 2492 HE3 LYS A 181 40.321 5.820 10.481 1.00 9.14 H ATOM 2493 HZ1 LYS A 181 40.037 5.538 8.261 1.00 9.52 H ATOM 2494 HZ2 LYS A 181 40.255 6.947 8.519 1.00 9.52 H ATOM 2495 HZ3 LYS A 181 41.323 6.138 7.968 1.00 9.52 H ATOM 2496 N ASN A 182 45.447 4.671 13.457 1.00 5.53 N ANISOU 2496 N ASN A 182 956 774 373 -62 -206 -50 N ATOM 2497 CA ASN A 182 46.318 3.624 12.952 1.00 5.63 C ANISOU 2497 CA ASN A 182 813 821 504 -74 -205 -88 C ATOM 2498 C ASN A 182 45.528 2.743 11.979 1.00 5.93 C ANISOU 2498 C ASN A 182 808 823 622 -7 -328 -39 C ATOM 2499 O ASN A 182 44.333 2.941 11.754 1.00 6.61 O ANISOU 2499 O ASN A 182 830 857 824 26 -252 -226 O ATOM 2500 CB ASN A 182 46.900 2.842 14.131 1.00 6.78 C ANISOU 2500 CB ASN A 182 1081 871 625 -53 -296 -44 C ATOM 2501 CG ASN A 182 48.209 2.134 13.811 1.00 7.38 C ANISOU 2501 CG ASN A 182 1184 891 728 24 -334 59 C ATOM 2502 OD1 ASN A 182 48.713 2.166 12.692 1.00 7.67 O ANISOU 2502 OD1 ASN A 182 1172 914 830 -64 -387 47 O ATOM 2503 ND2 ASN A 182 48.768 1.486 14.811 1.00 8.82 N ANISOU 2503 ND2 ASN A 182 1394 1113 843 327 -191 28 N ATOM 2504 H ASN A 182 44.884 4.398 14.047 1.00 6.64 H ATOM 2505 HA ASN A 182 47.054 4.028 12.465 1.00 6.75 H ATOM 2506 HB2 ASN A 182 47.066 3.458 14.862 1.00 8.14 H ATOM 2507 HB3 ASN A 182 46.258 2.169 14.406 1.00 8.14 H ATOM 2508 HD21 ASN A 182 49.509 1.066 14.691 1.00 10.58 H ATOM 2509 HD22 ASN A 182 48.391 1.481 15.584 1.00 10.58 H ATOM 2510 N SER A 183 46.218 1.771 11.380 1.00 6.56 N ANISOU 2510 N SER A 183 1172 754 565 93 -368 -35 N ATOM 2511 CA SER A 183 45.666 0.864 10.377 1.00 6.88 C ANISOU 2511 CA SER A 183 1262 791 560 33 -293 -9 C ATOM 2512 C SER A 183 45.840 -0.593 10.779 1.00 6.70 C ANISOU 2512 C SER A 183 1310 764 471 -57 -303 -50 C ATOM 2513 O SER A 183 46.132 -1.458 9.950 1.00 7.23 O ANISOU 2513 O SER A 183 1371 802 573 -162 -235 -34 O ATOM 2514 CB SER A 183 46.307 1.120 9.013 1.00 7.19 C ANISOU 2514 CB SER A 183 1107 894 730 -98 -149 42 C ATOM 2515 OG SER A 183 47.726 1.168 9.125 1.00 8.61 O ANISOU 2515 OG SER A 183 1471 876 926 -140 -25 52 O ATOM 2516 H SER A 183 47.046 1.613 11.549 1.00 7.87 H ATOM 2517 HA SER A 183 44.715 1.036 10.292 1.00 8.25 H ATOM 2518 HB2 SER A 183 46.061 0.402 8.408 1.00 8.63 H ATOM 2519 HB3 SER A 183 45.988 1.968 8.668 1.00 8.63 H ATOM 2520 HG SER A 183 48.016 0.438 9.424 1.00 10.34 H ATOM 2521 N TRP A 184 45.623 -0.876 12.066 1.00 6.97 N ANISOU 2521 N TRP A 184 1447 753 448 -185 -209 35 N ATOM 2522 CA TRP A 184 45.834 -2.201 12.643 1.00 7.43 C ANISOU 2522 CA TRP A 184 1338 896 590 -173 -336 98 C ATOM 2523 C TRP A 184 44.549 -2.752 13.248 1.00 7.95 C ANISOU 2523 C TRP A 184 1322 943 754 -191 49 48 C ATOM 2524 O TRP A 184 44.589 -3.509 14.220 1.00 8.78 O ANISOU 2524 O TRP A 184 1508 973 855 -218 29 49 O ATOM 2525 CB TRP A 184 46.923 -2.149 13.711 1.00 7.89 C ANISOU 2525 CB TRP A 184 1314 1012 670 -51 -379 147 C ATOM 2526 CG TRP A 184 48.296 -1.826 13.222 1.00 8.12 C ANISOU 2526 CG TRP A 184 1223 1077 784 142 -207 30 C ATOM 2527 CD1 TRP A 184 48.732 -1.713 11.931 1.00 9.03 C ANISOU 2527 CD1 TRP A 184 1248 1288 895 203 -268 -17 C ATOM 2528 CD2 TRP A 184 49.425 -1.579 14.050 1.00 8.64 C ANISOU 2528 CD2 TRP A 184 1339 1097 847 203 -331 -51 C ATOM 2529 NE1 TRP A 184 50.071 -1.404 11.907 1.00 9.20 N ANISOU 2529 NE1 TRP A 184 1228 1352 914 213 -361 -118 N ATOM 2530 CE2 TRP A 184 50.519 -1.310 13.201 1.00 8.83 C ANISOU 2530 CE2 TRP A 184 1147 1294 913 142 -436 -123 C ATOM 2531 CE3 TRP A 184 49.618 -1.548 15.436 1.00 9.54 C ANISOU 2531 CE3 TRP A 184 1655 1078 890 89 -530 2 C ATOM 2532 CZ2 TRP A 184 51.786 -1.020 13.697 1.00 10.48 C ANISOU 2532 CZ2 TRP A 184 1585 1401 997 98 -474 -139 C ATOM 2533 CZ3 TRP A 184 50.876 -1.261 15.920 1.00 10.35 C ANISOU 2533 CZ3 TRP A 184 1765 1227 940 70 -501 -112 C ATOM 2534 CH2 TRP A 184 51.939 -0.995 15.055 1.00 10.56 C ANISOU 2534 CH2 TRP A 184 1678 1342 991 -96 -426 -156 C ATOM 2535 N THR A 185 43.410 -2.396 12.652 1.00 8.42 N ANISOU 2535 N THR A 185 1364 955 879 -204 49 99 N ATOM 2536 CA THR A 185 42.068 -2.759 13.116 1.00 8.80 C ANISOU 2536 CA THR A 185 1339 961 1043 -392 127 83 C ATOM 2537 C THR A 185 41.638 -1.985 14.352 1.00 8.34 C ANISOU 2537 C THR A 185 1190 904 1075 -369 46 128 C ATOM 2538 O THR A 185 42.455 -1.353 15.039 1.00 8.30 O ANISOU 2538 O THR A 185 1379 749 1024 -363 -183 40 O ATOM 2539 CB THR A 185 41.851 -4.264 13.403 1.00 9.87 C ANISOU 2539 CB THR A 185 1643 1010 1096 -479 164 3 C ATOM 2540 OG1 THR A 185 42.270 -4.590 14.739 1.00 10.74 O ANISOU 2540 OG1 THR A 185 1842 1086 1152 -444 71 110 O ATOM 2541 CG2 THR A 185 42.545 -5.163 12.417 1.00 10.84 C ANISOU 2541 CG2 THR A 185 1936 1016 1166 -443 281 -91 C ATOM 2542 H THR A 185 43.390 -1.917 11.938 1.00 10.10 H ATOM 2543 HA THR A 185 41.446 -2.521 12.411 1.00 10.56 H ATOM 2544 HB THR A 185 40.901 -4.448 13.334 1.00 11.84 H ATOM 2545 HG1 THR A 185 43.085 -4.413 14.836 1.00 12.89 H ATOM 2546 HG21 THR A 185 42.379 -6.092 12.641 1.00 13.01 H ATOM 2547 HG22 THR A 185 42.215 -4.990 11.522 1.00 13.01 H ATOM 2548 HG23 THR A 185 43.501 -5.001 12.437 1.00 13.01 H ATOM 2549 N THR A 186 40.340 -2.035 14.642 1.00 9.81 N ANISOU 2549 N THR A 186 1426 1121 1182 -525 35 98 N ATOM 2550 CA THR A 186 39.826 -1.414 15.858 1.00 10.79 C ANISOU 2550 CA THR A 186 1485 1320 1296 -362 242 132 C ATOM 2551 C THR A 186 40.096 -2.240 17.103 1.00 10.50 C ANISOU 2551 C THR A 186 1420 1247 1321 -374 125 66 C ATOM 2552 O THR A 186 39.806 -1.767 18.207 1.00 11.41 O ANISOU 2552 O THR A 186 1741 1268 1327 -233 88 -121 O ATOM 2553 CB THR A 186 38.323 -1.154 15.752 1.00 12.06 C ANISOU 2553 CB THR A 186 1598 1509 1475 -490 209 281 C ATOM 2554 OG1 THR A 186 37.641 -2.395 15.547 1.00 13.67 O ANISOU 2554 OG1 THR A 186 1941 1617 1635 -627 -33 271 O ATOM 2555 CG2 THR A 186 38.023 -0.214 14.605 1.00 12.43 C ANISOU 2555 CG2 THR A 186 1604 1584 1534 -341 170 415 C ATOM 2556 H THR A 186 39.742 -2.419 14.157 1.00 11.78 H ATOM 2557 HA THR A 186 40.264 -0.556 15.975 1.00 12.95 H ATOM 2558 HB THR A 186 38.008 -0.746 16.573 1.00 14.47 H ATOM 2559 HG1 THR A 186 37.911 -2.758 14.839 1.00 16.40 H ATOM 2560 HG21 THR A 186 37.067 -0.057 14.548 1.00 14.91 H ATOM 2561 HG22 THR A 186 38.473 0.634 14.745 1.00 14.91 H ATOM 2562 HG23 THR A 186 38.330 -0.600 13.770 1.00 14.91 H ATOM 2563 N GLN A 187 40.637 -3.449 16.963 1.00 10.66 N ANISOU 2563 N GLN A 187 1526 1178 1346 -498 -28 159 N ATOM 2564 CA GLN A 187 40.993 -4.246 18.129 1.00 12.07 C ANISOU 2564 CA GLN A 187 1747 1301 1538 -564 -108 221 C ATOM 2565 C GLN A 187 42.285 -3.775 18.771 1.00 12.02 C ANISOU 2565 C GLN A 187 1753 1438 1376 -607 -63 276 C ATOM 2566 O GLN A 187 42.570 -4.144 19.913 1.00 14.55 O ANISOU 2566 O GLN A 187 2426 1696 1406 -689 -251 459 O ATOM 2567 CB GLN A 187 41.125 -5.718 17.736 1.00 15.11 C ANISOU 2567 CB GLN A 187 2311 1445 1984 -564 -391 201 C ATOM 2568 CG GLN A 187 39.945 -6.236 16.944 1.00 18.72 C ANISOU 2568 CG GLN A 187 2934 1710 2468 -519 -468 219 C ATOM 2569 CD GLN A 187 38.645 -5.917 17.624 1.00 20.91 C ANISOU 2569 CD GLN A 187 3190 2001 2752 -527 -529 300 C ATOM 2570 OE1 GLN A 187 37.752 -5.296 17.033 1.00 21.92 O ANISOU 2570 OE1 GLN A 187 3229 2173 2928 -497 -546 407 O ATOM 2571 NE2 GLN A 187 38.524 -6.335 18.879 1.00 21.31 N ANISOU 2571 NE2 GLN A 187 3194 2117 2787 -428 -665 264 N ATOM 2572 H GLN A 187 40.805 -3.826 16.208 1.00 12.79 H ATOM 2573 HA GLN A 187 40.286 -4.174 18.789 1.00 14.48 H ATOM 2574 HB2 GLN A 187 41.920 -5.827 17.191 1.00 18.13 H ATOM 2575 HB3 GLN A 187 41.201 -6.252 18.541 1.00 18.13 H ATOM 2576 HG2 GLN A 187 39.941 -5.821 16.068 1.00 22.46 H ATOM 2577 HG3 GLN A 187 40.015 -7.200 16.859 1.00 22.46 H ATOM 2578 HE21 GLN A 187 39.169 -6.762 19.254 1.00 25.58 H ATOM 2579 HE22 GLN A 187 37.799 -6.179 19.316 1.00 25.58 H ATOM 2580 N TRP A 188 43.070 -2.982 18.064 1.00 9.96 N ANISOU 2580 N TRP A 188 1316 1240 1228 -453 47 67 N ATOM 2581 CA TRP A 188 44.307 -2.447 18.595 1.00 9.53 C ANISOU 2581 CA TRP A 188 1514 1088 1020 -140 105 -58 C ATOM 2582 C TRP A 188 44.038 -1.077 19.203 1.00 9.07 C ANISOU 2582 C TRP A 188 1507 1100 840 -108 -81 -28 C ATOM 2583 O TRP A 188 43.240 -0.297 18.677 1.00 8.70 O ANISOU 2583 O TRP A 188 1303 1167 835 -213 -179 -23 O ATOM 2584 CB TRP A 188 45.331 -2.330 17.464 1.00 8.71 C ANISOU 2584 CB TRP A 188 1284 1056 969 26 34 -21 C ATOM 2585 CG TRP A 188 46.620 -1.765 17.909 1.00 8.50 C ANISOU 2585 CG TRP A 188 1371 993 867 18 -180 108 C ATOM 2586 CD1 TRP A 188 47.684 -2.454 18.420 1.00 9.03 C ANISOU 2586 CD1 TRP A 188 1502 987 941 95 -245 152 C ATOM 2587 CD2 TRP A 188 46.997 -0.387 17.897 1.00 7.62 C ANISOU 2587 CD2 TRP A 188 1283 927 686 12 -220 39 C ATOM 2588 NE1 TRP A 188 48.706 -1.587 18.722 1.00 9.30 N ANISOU 2588 NE1 TRP A 188 1662 998 873 92 -373 68 N ATOM 2589 CE2 TRP A 188 48.309 -0.311 18.413 1.00 8.24 C ANISOU 2589 CE2 TRP A 188 1472 946 714 125 -415 41 C ATOM 2590 CE3 TRP A 188 46.351 0.795 17.507 1.00 7.25 C ANISOU 2590 CE3 TRP A 188 1178 960 617 40 -122 -15 C ATOM 2591 CZ2 TRP A 188 48.996 0.897 18.527 1.00 8.13 C ANISOU 2591 CZ2 TRP A 188 1452 1012 624 -3 -309 25 C ATOM 2592 CZ3 TRP A 188 47.029 1.995 17.624 1.00 7.30 C ANISOU 2592 CZ3 TRP A 188 1229 1030 514 -169 -229 22 C ATOM 2593 CH2 TRP A 188 48.338 2.035 18.131 1.00 7.79 C ANISOU 2593 CH2 TRP A 188 1313 1058 587 -51 -342 53 C ATOM 2594 N GLY A 189 44.696 -0.798 20.320 1.00 8.94 N ANISOU 2594 N GLY A 189 1513 1138 744 -94 -249 64 N ATOM 2595 CA GLY A 189 44.639 0.536 20.887 1.00 8.82 C ANISOU 2595 CA GLY A 189 1448 1167 738 -210 -238 20 C ATOM 2596 C GLY A 189 43.253 0.931 21.349 1.00 9.06 C ANISOU 2596 C GLY A 189 1621 1066 756 -172 -86 160 C ATOM 2597 O GLY A 189 42.497 0.140 21.935 1.00 10.92 O ANISOU 2597 O GLY A 189 2020 1178 953 -61 190 303 O ATOM 2598 H GLY A 189 45.176 -1.357 20.763 1.00 10.72 H ATOM 2599 HA2 GLY A 189 45.239 0.587 21.647 1.00 10.59 H ATOM 2600 HA3 GLY A 189 44.934 1.179 20.223 1.00 10.59 H ATOM 2601 N GLU A 190 42.941 2.205 21.131 1.00 8.29 N ANISOU 2601 N GLU A 190 1448 1027 673 -45 -266 134 N ATOM 2602 CA GLU A 190 41.680 2.796 21.557 1.00 8.53 C ANISOU 2602 CA GLU A 190 1385 1154 701 -203 -159 13 C ATOM 2603 C GLU A 190 40.762 2.815 20.341 1.00 7.86 C ANISOU 2603 C GLU A 190 1137 1171 680 -184 -61 23 C ATOM 2604 O GLU A 190 40.694 3.777 19.585 1.00 7.97 O ANISOU 2604 O GLU A 190 1285 1059 685 -211 -42 101 O ATOM 2605 CB GLU A 190 41.925 4.192 22.122 1.00 9.59 C ANISOU 2605 CB GLU A 190 1683 1268 691 -131 -307 -138 C ATOM 2606 CG GLU A 190 42.851 4.166 23.338 1.00 9.95 C ANISOU 2606 CG GLU A 190 1713 1362 707 -165 -435 -162 C ATOM 2607 CD GLU A 190 43.078 5.505 24.021 1.00 10.37 C ANISOU 2607 CD GLU A 190 1752 1459 730 -2 -238 -116 C ATOM 2608 OE1 GLU A 190 43.034 6.566 23.353 1.00 9.91 O ANISOU 2608 OE1 GLU A 190 1564 1418 782 101 -246 -23 O ATOM 2609 OE2 GLU A 190 43.330 5.474 25.251 1.00 10.49 O ANISOU 2609 OE2 GLU A 190 1628 1590 768 39 -327 -198 O ATOM 2610 H GLU A 190 43.458 2.761 20.727 1.00 9.94 H ATOM 2611 HA GLU A 190 41.275 2.246 22.246 1.00 10.23 H ATOM 2612 HB2 GLU A 190 42.338 4.744 21.439 1.00 11.50 H ATOM 2613 HB3 GLU A 190 41.078 4.578 22.395 1.00 11.50 H ATOM 2614 HG2 GLU A 190 42.473 3.564 23.998 1.00 11.94 H ATOM 2615 HG3 GLU A 190 43.718 3.833 23.056 1.00 11.94 H ATOM 2616 N GLU A 191 40.083 1.693 20.124 1.00 8.57 N ANISOU 2616 N GLU A 191 1238 1269 748 -325 -123 100 N ATOM 2617 CA GLU A 191 39.272 1.484 18.920 1.00 9.02 C ANISOU 2617 CA GLU A 191 1194 1396 839 -340 -140 85 C ATOM 2618 C GLU A 191 40.057 1.804 17.650 1.00 8.04 C ANISOU 2618 C GLU A 191 1208 1113 733 -396 -114 98 C ATOM 2619 O GLU A 191 39.537 2.387 16.691 1.00 8.21 O ANISOU 2619 O GLU A 191 1118 1236 766 -173 -169 48 O ATOM 2620 CB GLU A 191 37.956 2.258 18.980 1.00 11.20 C ANISOU 2620 CB GLU A 191 1458 1793 1004 -191 -33 58 C ATOM 2621 CG GLU A 191 37.092 1.852 20.161 1.00 14.19 C ANISOU 2621 CG GLU A 191 2035 2076 1280 -15 145 -90 C ATOM 2622 CD GLU A 191 35.714 2.478 20.113 1.00 18.49 C ANISOU 2622 CD GLU A 191 3063 2378 1584 156 32 -299 C ATOM 2623 OE1 GLU A 191 35.441 3.360 20.954 0.47 20.03 O ANISOU 2623 OE1 GLU A 191 3471 2466 1674 92 -131 -478 O ATOM 2624 OE2 GLU A 191 34.915 2.089 19.236 0.54 19.55 O ANISOU 2624 OE2 GLU A 191 3320 2455 1655 300 9 -275 O ATOM 2625 H GLU A 191 40.074 1.025 20.665 1.00 10.28 H ATOM 2626 HA GLU A 191 39.042 0.543 18.877 1.00 10.83 H ATOM 2627 HB2 GLU A 191 38.148 3.205 19.060 1.00 13.44 H ATOM 2628 HB3 GLU A 191 37.452 2.088 18.168 1.00 13.44 H ATOM 2629 HG2 GLU A 191 36.985 0.888 20.159 1.00 17.03 H ATOM 2630 HG3 GLU A 191 37.524 2.138 20.982 1.00 17.03 H ATOM 2631 N GLY A 192 41.331 1.420 17.647 1.00 7.45 N ANISOU 2631 N GLY A 192 1273 905 652 -486 30 53 N ATOM 2632 CA GLY A 192 42.181 1.583 16.485 1.00 7.51 C ANISOU 2632 CA GLY A 192 1367 871 616 -323 19 75 C ATOM 2633 C GLY A 192 42.982 2.867 16.476 1.00 6.50 C ANISOU 2633 C GLY A 192 1131 811 529 -141 -135 109 C ATOM 2634 O GLY A 192 43.786 3.078 15.547 1.00 6.60 O ANISOU 2634 O GLY A 192 1094 880 533 -167 -233 10 O ATOM 2635 H GLY A 192 41.727 1.058 18.319 1.00 8.94 H ATOM 2636 HA2 GLY A 192 42.803 0.840 16.441 1.00 9.01 H ATOM 2637 HA3 GLY A 192 41.632 1.566 15.686 1.00 9.01 H ATOM 2638 N TYR A 193 42.799 3.722 17.485 1.00 6.08 N ANISOU 2638 N TYR A 193 1026 772 513 -152 -141 88 N ATOM 2639 CA TYR A 193 43.521 4.973 17.663 1.00 5.89 C ANISOU 2639 CA TYR A 193 1037 721 481 -103 -177 110 C ATOM 2640 C TYR A 193 44.548 4.850 18.780 1.00 5.95 C ANISOU 2640 C TYR A 193 1055 702 503 -74 -167 211 C ATOM 2641 O TYR A 193 44.490 3.948 19.624 1.00 6.24 O ANISOU 2641 O TYR A 193 971 791 609 -170 -326 239 O ATOM 2642 CB TYR A 193 42.554 6.118 17.992 1.00 6.16 C ANISOU 2642 CB TYR A 193 894 822 625 -76 -174 73 C ATOM 2643 CG TYR A 193 41.782 6.572 16.784 1.00 6.75 C ANISOU 2643 CG TYR A 193 900 951 715 3 -120 83 C ATOM 2644 CD1 TYR A 193 42.126 7.739 16.133 1.00 8.14 C ANISOU 2644 CD1 TYR A 193 1167 1062 863 14 -85 114 C ATOM 2645 CD2 TYR A 193 40.730 5.812 16.262 1.00 7.54 C ANISOU 2645 CD2 TYR A 193 1126 1004 736 120 -241 78 C ATOM 2646 CE1 TYR A 193 41.460 8.153 15.007 1.00 8.57 C ANISOU 2646 CE1 TYR A 193 1120 1270 866 256 -9 200 C ATOM 2647 CE2 TYR A 193 40.049 6.235 15.129 1.00 8.74 C ANISOU 2647 CE2 TYR A 193 1387 1175 759 224 -325 30 C ATOM 2648 CZ TYR A 193 40.428 7.392 14.507 1.00 9.37 C ANISOU 2648 CZ TYR A 193 1419 1374 766 462 -188 129 C ATOM 2649 OH TYR A 193 39.777 7.829 13.366 1.00 10.33 O ANISOU 2649 OH TYR A 193 1582 1609 735 588 -205 197 O ATOM 2650 H TYR A 193 42.226 3.584 18.111 1.00 7.30 H ATOM 2651 HA TYR A 193 43.988 5.194 16.842 1.00 7.07 H ATOM 2652 HB2 TYR A 193 41.919 5.816 18.660 1.00 7.39 H ATOM 2653 HB3 TYR A 193 43.059 6.874 18.329 1.00 7.39 H ATOM 2654 HD1 TYR A 193 42.832 8.250 16.458 1.00 9.77 H ATOM 2655 HD2 TYR A 193 40.483 5.019 16.679 1.00 9.05 H ATOM 2656 HE1 TYR A 193 41.709 8.941 14.581 1.00 10.28 H ATOM 2657 HE2 TYR A 193 39.353 5.724 14.783 1.00 10.49 H ATOM 2658 HH TYR A 193 39.170 7.288 13.157 1.00 12.40 H ATOM 2659 N ILE A 194 45.507 5.776 18.763 1.00 5.78 N ANISOU 2659 N ILE A 194 1139 614 443 -181 -277 116 N ATOM 2660 CA ILE A 194 46.494 5.899 19.830 1.00 6.26 C ANISOU 2660 CA ILE A 194 1173 732 474 -72 -310 115 C ATOM 2661 C ILE A 194 46.658 7.365 20.174 1.00 6.45 C ANISOU 2661 C ILE A 194 1072 846 533 -44 -365 133 C ATOM 2662 O ILE A 194 46.603 8.234 19.302 1.00 6.67 O ANISOU 2662 O ILE A 194 1104 913 517 -138 -351 130 O ATOM 2663 CB ILE A 194 47.840 5.244 19.445 1.00 7.16 C ANISOU 2663 CB ILE A 194 1201 887 632 51 -255 42 C ATOM 2664 CG1 ILE A 194 48.923 5.512 20.492 1.00 7.52 C ANISOU 2664 CG1 ILE A 194 1202 877 778 -29 -285 -9 C ATOM 2665 CG2 ILE A 194 48.321 5.711 18.070 1.00 7.72 C ANISOU 2665 CG2 ILE A 194 1142 1051 742 -60 -82 99 C ATOM 2666 CD1 ILE A 194 50.094 4.616 20.343 1.00 8.05 C ANISOU 2666 CD1 ILE A 194 1315 852 892 44 -285 21 C ATOM 2667 H ILE A 194 45.606 6.353 18.133 1.00 6.94 H ATOM 2668 HA ILE A 194 46.159 5.445 20.619 1.00 7.51 H ATOM 2669 HB ILE A 194 47.702 4.285 19.401 1.00 8.59 H ATOM 2670 HG12 ILE A 194 49.232 6.427 20.401 1.00 9.02 H ATOM 2671 HG13 ILE A 194 48.549 5.374 21.376 1.00 9.02 H ATOM 2672 HG21 ILE A 194 49.165 5.279 17.867 1.00 9.27 H ATOM 2673 HG22 ILE A 194 47.657 5.470 17.405 1.00 9.27 H ATOM 2674 HG23 ILE A 194 48.438 6.674 18.087 1.00 9.27 H ATOM 2675 HD11 ILE A 194 50.744 4.830 21.029 1.00 9.66 H ATOM 2676 HD12 ILE A 194 49.801 3.696 20.439 1.00 9.66 H ATOM 2677 HD13 ILE A 194 50.483 4.749 19.464 1.00 9.66 H ATOM 2678 N ARG A 195 46.852 7.634 21.464 1.00 6.23 N ANISOU 2678 N ARG A 195 1071 824 472 -131 -293 169 N ATOM 2679 CA ARG A 195 47.256 8.942 21.940 1.00 6.58 C ANISOU 2679 CA ARG A 195 1183 778 541 -109 -269 62 C ATOM 2680 C ARG A 195 48.718 8.862 22.339 1.00 6.43 C ANISOU 2680 C ARG A 195 1119 800 524 -115 -356 88 C ATOM 2681 O ARG A 195 49.117 7.950 23.073 1.00 7.60 O ANISOU 2681 O ARG A 195 1342 968 579 -62 -337 180 O ATOM 2682 CB ARG A 195 46.391 9.370 23.133 1.00 7.45 C ANISOU 2682 CB ARG A 195 1254 806 771 -250 -91 27 C ATOM 2683 CG ARG A 195 44.972 9.701 22.702 1.00 8.85 C ANISOU 2683 CG ARG A 195 1433 946 982 -50 -84 -42 C ATOM 2684 CD ARG A 195 44.091 10.109 23.854 1.00 10.13 C ANISOU 2684 CD ARG A 195 1538 1173 1139 -32 61 -8 C ATOM 2685 NE ARG A 195 43.845 8.960 24.715 1.00 10.11 N ANISOU 2685 NE ARG A 195 1384 1335 1121 -32 155 -79 N ATOM 2686 CZ ARG A 195 43.686 9.017 26.025 1.00 12.12 C ANISOU 2686 CZ ARG A 195 1790 1631 1184 -237 107 -246 C ATOM 2687 NH1 ARG A 195 43.711 10.181 26.670 1.00 13.98 N ANISOU 2687 NH1 ARG A 195 2354 1740 1218 -242 39 -352 N ATOM 2688 NH2 ARG A 195 43.503 7.895 26.687 1.00 13.87 N ANISOU 2688 NH2 ARG A 195 2316 1785 1170 -327 196 -215 N ATOM 2689 H ARG A 195 46.751 7.057 22.093 1.00 7.48 H ATOM 2690 HA ARG A 195 47.159 9.596 21.230 1.00 7.90 H ATOM 2691 HB2 ARG A 195 46.352 8.645 23.776 1.00 8.94 H ATOM 2692 HB3 ARG A 195 46.777 10.160 23.541 1.00 8.94 H ATOM 2693 HG2 ARG A 195 44.997 10.436 22.069 1.00 10.61 H ATOM 2694 HG3 ARG A 195 44.578 8.918 22.286 1.00 10.61 H ATOM 2695 HD2 ARG A 195 44.534 10.797 24.375 1.00 12.16 H ATOM 2696 HD3 ARG A 195 43.241 10.430 23.516 1.00 12.16 H ATOM 2697 HE ARG A 195 43.799 8.186 24.343 1.00 12.13 H ATOM 2698 HH11 ARG A 195 43.841 10.912 26.234 1.00 16.78 H ATOM 2699 HH12 ARG A 195 43.602 10.203 27.523 1.00 16.78 H ATOM 2700 HH21 ARG A 195 43.480 7.146 26.265 1.00 16.65 H ATOM 2701 HH22 ARG A 195 43.383 7.913 27.539 1.00 16.65 H ATOM 2702 N ILE A 196 49.521 9.779 21.814 1.00 5.50 N ANISOU 2702 N ILE A 196 776 777 536 -210 -328 43 N ATOM 2703 CA ILE A 196 50.916 9.888 22.219 1.00 6.22 C ANISOU 2703 CA ILE A 196 974 809 582 -162 -328 37 C ATOM 2704 C ILE A 196 51.163 11.278 22.776 1.00 5.66 C ANISOU 2704 C ILE A 196 837 841 474 -83 -332 27 C ATOM 2705 O ILE A 196 50.504 12.248 22.396 1.00 5.75 O ANISOU 2705 O ILE A 196 896 731 558 18 -390 39 O ATOM 2706 CB ILE A 196 51.911 9.562 21.087 1.00 6.79 C ANISOU 2706 CB ILE A 196 1031 897 651 -71 -217 -21 C ATOM 2707 CG1 ILE A 196 51.923 10.650 19.995 1.00 7.24 C ANISOU 2707 CG1 ILE A 196 986 1110 653 -113 -87 28 C ATOM 2708 CG2 ILE A 196 51.618 8.184 20.519 1.00 7.39 C ANISOU 2708 CG2 ILE A 196 1208 891 707 -6 -249 -143 C ATOM 2709 CD1 ILE A 196 52.974 10.436 18.922 1.00 7.77 C ANISOU 2709 CD1 ILE A 196 1095 1241 617 -33 -76 23 C ATOM 2710 H ILE A 196 49.281 10.353 21.220 1.00 6.60 H ATOM 2711 HA ILE A 196 51.077 9.255 22.936 1.00 7.47 H ATOM 2712 HB ILE A 196 52.798 9.533 21.478 1.00 8.15 H ATOM 2713 HG12 ILE A 196 51.055 10.666 19.561 1.00 8.68 H ATOM 2714 HG13 ILE A 196 52.096 11.508 20.412 1.00 8.68 H ATOM 2715 HG21 ILE A 196 52.251 7.994 19.809 1.00 8.86 H ATOM 2716 HG22 ILE A 196 51.706 7.526 21.226 1.00 8.86 H ATOM 2717 HG23 ILE A 196 50.713 8.173 20.168 1.00 8.86 H ATOM 2718 HD11 ILE A 196 52.917 11.157 18.276 1.00 9.33 H ATOM 2719 HD12 ILE A 196 53.851 10.430 19.336 1.00 9.33 H ATOM 2720 HD13 ILE A 196 52.809 9.586 18.484 1.00 9.33 H ATOM 2721 N ALA A 197 52.123 11.372 23.688 1.00 5.68 N ANISOU 2721 N ALA A 197 777 952 428 21 -305 37 N ATOM 2722 CA ALA A 197 52.438 12.665 24.272 1.00 6.63 C ANISOU 2722 CA ALA A 197 950 981 588 -97 -333 -82 C ATOM 2723 C ALA A 197 52.860 13.634 23.181 1.00 6.08 C ANISOU 2723 C ALA A 197 849 895 565 -28 -315 -118 C ATOM 2724 O ALA A 197 53.497 13.256 22.197 1.00 6.92 O ANISOU 2724 O ALA A 197 1059 921 649 1 -171 -184 O ATOM 2725 CB ALA A 197 53.549 12.536 25.318 1.00 7.20 C ANISOU 2725 CB ALA A 197 1004 940 791 -73 -471 -177 C ATOM 2726 H ALA A 197 52.597 10.716 23.980 1.00 6.81 H ATOM 2727 HA ALA A 197 51.648 13.021 24.708 1.00 7.96 H ATOM 2728 HB1 ALA A 197 53.736 13.413 25.689 1.00 8.64 H ATOM 2729 HB2 ALA A 197 53.254 11.936 26.021 1.00 8.64 H ATOM 2730 HB3 ALA A 197 54.345 12.180 24.892 1.00 8.64 H ATOM 2731 N LYS A 198 52.512 14.900 23.385 1.00 5.68 N ANISOU 2731 N LYS A 198 818 837 504 26 -299 -80 N ATOM 2732 CA LYS A 198 52.738 15.975 22.432 1.00 5.92 C ANISOU 2732 CA LYS A 198 885 908 458 22 -325 -67 C ATOM 2733 C LYS A 198 53.646 17.022 23.056 1.00 6.20 C ANISOU 2733 C LYS A 198 962 898 495 113 -283 -97 C ATOM 2734 O LYS A 198 53.394 17.484 24.176 1.00 7.24 O ANISOU 2734 O LYS A 198 1127 1037 585 5 -415 -95 O ATOM 2735 CB LYS A 198 51.397 16.599 22.046 1.00 6.07 C ANISOU 2735 CB LYS A 198 909 922 477 25 -269 51 C ATOM 2736 CG LYS A 198 51.477 17.834 21.171 1.00 6.29 C ANISOU 2736 CG LYS A 198 948 951 492 -18 -329 26 C ATOM 2737 CD LYS A 198 50.092 18.218 20.674 1.00 6.86 C ANISOU 2737 CD LYS A 198 985 1074 548 -18 -331 -121 C ATOM 2738 CE LYS A 198 50.110 19.448 19.799 1.00 7.72 C ANISOU 2738 CE LYS A 198 1028 1202 702 95 -276 -9 C ATOM 2739 NZ LYS A 198 50.506 20.662 20.556 1.00 8.22 N ANISOU 2739 NZ LYS A 198 1153 1147 822 133 9 29 N ATOM 2740 H LYS A 198 52.124 15.169 24.104 1.00 6.82 H ATOM 2741 HA LYS A 198 53.164 15.625 21.634 1.00 7.11 H ATOM 2742 HB2 LYS A 198 50.877 15.935 21.565 1.00 7.29 H ATOM 2743 HB3 LYS A 198 50.929 16.848 22.859 1.00 7.29 H ATOM 2744 HG2 LYS A 198 51.836 18.573 21.687 1.00 7.55 H ATOM 2745 HG3 LYS A 198 52.040 17.650 20.403 1.00 7.55 H ATOM 2746 HD2 LYS A 198 49.728 17.485 20.155 1.00 8.23 H ATOM 2747 HD3 LYS A 198 49.522 18.401 21.437 1.00 8.23 H ATOM 2748 HE2 LYS A 198 50.747 19.318 19.079 1.00 9.26 H ATOM 2749 HE3 LYS A 198 49.222 19.594 19.437 1.00 9.26 H ATOM 2750 HZ1 LYS A 198 50.508 21.369 20.016 1.00 9.86 H ATOM 2751 HZ2 LYS A 198 49.933 20.806 21.221 1.00 9.86 H ATOM 2752 HZ3 LYS A 198 51.322 20.555 20.896 1.00 9.86 H ATOM 2753 N GLY A 199 54.695 17.385 22.326 1.00 6.29 N ANISOU 2753 N GLY A 199 995 837 557 -59 -284 -116 N ATOM 2754 CA GLY A 199 55.621 18.421 22.726 1.00 6.79 C ANISOU 2754 CA GLY A 199 1007 855 718 -180 -377 -141 C ATOM 2755 C GLY A 199 57.054 17.967 22.918 1.00 7.01 C ANISOU 2755 C GLY A 199 997 894 773 -65 -491 -79 C ATOM 2756 O GLY A 199 57.931 18.824 23.110 1.00 7.93 O ANISOU 2756 O GLY A 199 952 1029 1033 -93 -423 -154 O ATOM 2757 H GLY A 199 54.893 17.028 21.569 1.00 7.55 H ATOM 2758 HA2 GLY A 199 55.618 19.120 22.054 1.00 8.15 H ATOM 2759 HA3 GLY A 199 55.317 18.808 23.562 1.00 8.15 H ATOM 2760 N SER A 200 57.345 16.669 22.875 1.00 6.25 N ANISOU 2760 N SER A 200 769 844 762 -170 -407 -25 N ATOM 2761 CA SER A 200 58.697 16.160 23.080 1.00 6.63 C ANISOU 2761 CA SER A 200 829 862 828 -41 -301 -28 C ATOM 2762 C SER A 200 59.141 15.273 21.923 1.00 6.56 C ANISOU 2762 C SER A 200 916 848 728 -107 -438 -111 C ATOM 2763 O SER A 200 60.051 14.461 22.079 1.00 7.65 O ANISOU 2763 O SER A 200 1195 932 780 161 -526 -169 O ATOM 2764 CB SER A 200 58.823 15.427 24.415 1.00 7.79 C ANISOU 2764 CB SER A 200 1180 979 802 -91 -337 27 C ATOM 2765 OG SER A 200 57.849 14.404 24.517 1.00 9.69 O ANISOU 2765 OG SER A 200 1913 1008 761 -183 -490 54 O ATOM 2766 H SER A 200 56.764 16.052 22.727 1.00 7.50 H ATOM 2767 HA SER A 200 59.303 16.916 23.110 1.00 7.96 H ATOM 2768 HB2 SER A 200 59.706 15.031 24.477 1.00 9.35 H ATOM 2769 HB3 SER A 200 58.692 16.061 25.138 1.00 9.35 H ATOM 2770 HG SER A 200 57.925 14.007 25.253 1.00 11.63 H ATOM 2771 N ASN A 201 58.533 15.446 20.756 1.00 6.74 N ANISOU 2771 N ASN A 201 978 951 631 -52 -418 -125 N ATOM 2772 CA ASN A 201 58.845 14.662 19.560 1.00 7.10 C ANISOU 2772 CA ASN A 201 1178 986 532 5 -375 -62 C ATOM 2773 C ASN A 201 58.731 13.160 19.814 1.00 6.63 C ANISOU 2773 C ASN A 201 1049 971 498 -6 -361 -35 C ATOM 2774 O ASN A 201 59.534 12.366 19.325 1.00 6.65 O ANISOU 2774 O ASN A 201 1047 921 558 -43 -390 -93 O ATOM 2775 CB ASN A 201 60.201 15.020 18.958 1.00 7.07 C ANISOU 2775 CB ASN A 201 1152 1025 509 28 -369 14 C ATOM 2776 CG ASN A 201 60.343 14.539 17.534 1.00 7.47 C ANISOU 2776 CG ASN A 201 1159 1165 513 -48 -353 25 C ATOM 2777 OD1 ASN A 201 59.355 14.432 16.799 1.00 7.28 O ANISOU 2777 OD1 ASN A 201 1066 1115 585 0 -402 136 O ATOM 2778 ND2 ASN A 201 61.569 14.303 17.112 1.00 7.71 N ANISOU 2778 ND2 ASN A 201 1133 1290 507 -21 -299 -113 N ATOM 2779 H ASN A 201 57.916 16.031 20.626 1.00 8.09 H ATOM 2780 HA ASN A 201 58.180 14.880 18.889 1.00 8.51 H ATOM 2781 HB2 ASN A 201 60.306 15.985 18.962 1.00 8.48 H ATOM 2782 HB3 ASN A 201 60.902 14.607 19.487 1.00 8.48 H ATOM 2783 HD21 ASN A 201 61.701 14.028 16.308 1.00 9.25 H ATOM 2784 HD22 ASN A 201 62.236 14.425 17.641 1.00 9.25 H ATOM 2785 N AGLN A 202 57.726 12.774 20.595 0.62 6.56 N ANISOU 2785 N AGLN A 202 1033 891 568 -167 -380 -32 N ATOM 2786 N BGLN A 202 57.732 12.781 20.604 0.38 7.31 N ANISOU 2786 N BGLN A 202 1162 1007 608 -48 -363 -31 N ATOM 2787 CA AGLN A 202 57.510 11.367 20.888 0.62 7.00 C ANISOU 2787 CA AGLN A 202 1038 998 623 -244 -353 -39 C ATOM 2788 CA BGLN A 202 57.470 11.376 20.922 0.38 8.16 C ANISOU 2788 CA BGLN A 202 1280 1109 711 -56 -385 -34 C ATOM 2789 C AGLN A 202 57.294 10.585 19.608 0.62 6.88 C ANISOU 2789 C AGLN A 202 935 1035 645 -106 -431 -14 C ATOM 2790 C BGLN A 202 57.280 10.578 19.619 0.38 7.83 C ANISOU 2790 C BGLN A 202 1159 1092 725 -10 -392 -14 C ATOM 2791 O AGLN A 202 56.531 10.985 18.727 0.62 6.80 O ANISOU 2791 O AGLN A 202 982 990 612 49 -424 63 O ATOM 2792 O BGLN A 202 56.535 10.982 18.727 0.38 7.74 O ANISOU 2792 O BGLN A 202 1146 1076 719 60 -345 39 O ATOM 2793 CB AGLN A 202 56.295 11.202 21.788 0.62 8.72 C ANISOU 2793 CB AGLN A 202 1404 1149 760 -185 -254 -70 C ATOM 2794 CB BGLN A 202 56.187 11.290 21.759 0.38 9.92 C ANISOU 2794 CB BGLN A 202 1702 1246 823 10 -468 -53 C ATOM 2795 CG AGLN A 202 56.546 11.694 23.164 0.62 9.25 C ANISOU 2795 CG AGLN A 202 1469 1237 808 153 -87 -159 C ATOM 2796 CG BGLN A 202 55.842 9.944 22.388 0.38 11.15 C ANISOU 2796 CG BGLN A 202 1982 1359 896 215 -533 -103 C ATOM 2797 CD AGLN A 202 57.723 10.997 23.788 0.62 10.55 C ANISOU 2797 CD AGLN A 202 1881 1269 858 339 -275 -204 C ATOM 2798 CD BGLN A 202 56.635 9.642 23.670 0.38 13.05 C ANISOU 2798 CD BGLN A 202 2360 1534 1063 352 -455 -180 C ATOM 2799 OE1AGLN A 202 57.761 9.758 23.827 0.62 10.56 O ANISOU 2799 OE1AGLN A 202 1979 1306 726 517 -244 -209 O ATOM 2800 OE1BGLN A 202 57.812 9.717 23.703 0.38 14.20 O ANISOU 2800 OE1BGLN A 202 2696 1542 1156 463 -539 -199 O ATOM 2801 NE2AGLN A 202 58.738 11.785 24.207 0.62 8.39 N ANISOU 2801 NE2AGLN A 202 1133 1207 848 401 -489 -313 N ATOM 2802 NE2BGLN A 202 55.944 9.294 24.714 0.38 14.24 N ANISOU 2802 NE2BGLN A 202 2564 1706 1142 400 -258 -222 N ATOM 2803 H AGLN A 202 57.159 13.306 20.964 0.62 7.87 H ATOM 2804 H BGLN A 202 57.178 13.327 20.971 0.38 8.77 H ATOM 2805 HA AGLN A 202 58.286 11.007 21.345 0.62 8.40 H ATOM 2806 HA BGLN A 202 58.216 10.995 21.430 0.38 9.79 H ATOM 2807 HB2AGLN A 202 55.554 11.706 21.417 0.62 10.46 H ATOM 2808 HB2BGLN A 202 56.259 11.931 22.483 0.38 11.91 H ATOM 2809 HB3AGLN A 202 56.065 10.261 21.841 0.62 10.46 H ATOM 2810 HB3BGLN A 202 55.441 11.536 21.190 0.38 11.91 H ATOM 2811 HG2AGLN A 202 56.734 12.645 23.135 0.62 11.10 H ATOM 2812 HG2BGLN A 202 54.898 9.935 22.614 0.38 13.38 H ATOM 2813 HG3AGLN A 202 55.764 11.522 23.713 0.62 11.10 H ATOM 2814 HG3BGLN A 202 56.034 9.241 21.748 0.38 13.38 H ATOM 2815 HE21AGLN A 202 58.688 12.638 24.110 0.62 10.07 H ATOM 2816 HE21BGLN A 202 55.090 9.391 24.716 0.38 17.09 H ATOM 2817 HE22AGLN A 202 59.433 11.434 24.571 0.62 10.07 H ATOM 2818 HE22BGLN A 202 56.341 8.966 25.403 0.38 17.09 H ATOM 2819 N CYS A 203 57.969 9.455 19.514 1.00 8.22 N ANISOU 2819 N CYS A 203 1329 1053 743 69 -449 -48 N ATOM 2820 CA CYS A 203 57.885 8.584 18.349 1.00 8.69 C ANISOU 2820 CA CYS A 203 1359 1096 846 -103 -356 -133 C ATOM 2821 C CYS A 203 58.353 9.275 17.073 1.00 6.67 C ANISOU 2821 C CYS A 203 881 871 784 -205 -431 -61 C ATOM 2822 O CYS A 203 58.031 8.814 15.971 1.00 7.36 O ANISOU 2822 O CYS A 203 1159 894 745 -166 -449 -134 O ATOM 2823 CB CYS A 203 56.457 8.052 18.121 1.00 11.41 C ANISOU 2823 CB CYS A 203 1775 1438 1123 -384 -180 -236 C ATOM 2824 SG CYS A 203 55.581 7.384 19.539 1.00 14.14 S ANISOU 2824 SG CYS A 203 1858 1947 1567 -481 -62 -344 S ATOM 2825 H CYS A 203 58.494 9.158 20.128 1.00 9.87 H ATOM 2826 HA CYS A 203 58.462 7.818 18.496 1.00 10.43 H ATOM 2827 HB2 CYS A 203 55.918 8.780 17.773 1.00 13.69 H ATOM 2828 HB3 CYS A 203 56.503 7.345 17.458 1.00 13.69 H ATOM 2829 N LEU A 204 59.090 10.377 17.201 1.00 6.68 N ANISOU 2829 N LEU A 204 1001 739 799 -27 -462 -54 N ATOM 2830 CA LEU A 204 59.600 11.145 16.061 1.00 7.07 C ANISOU 2830 CA LEU A 204 1134 768 784 70 -454 12 C ATOM 2831 C LEU A 204 58.494 11.794 15.233 1.00 6.52 C ANISOU 2831 C LEU A 204 1133 745 599 63 -377 36 C ATOM 2832 O LEU A 204 58.685 12.104 14.051 1.00 6.87 O ANISOU 2832 O LEU A 204 1209 846 555 90 -343 4 O ATOM 2833 CB LEU A 204 60.536 10.319 15.183 1.00 7.87 C ANISOU 2833 CB LEU A 204 954 1014 1021 174 -484 16 C ATOM 2834 CG LEU A 204 61.677 9.647 15.947 1.00 9.91 C ANISOU 2834 CG LEU A 204 1132 1325 1307 304 -527 0 C ATOM 2835 CD1 LEU A 204 62.528 8.883 14.954 1.00 10.62 C ANISOU 2835 CD1 LEU A 204 1145 1502 1389 382 -425 76 C ATOM 2836 CD2 LEU A 204 62.526 10.632 16.756 1.00 11.55 C ANISOU 2836 CD2 LEU A 204 1493 1460 1437 367 -613 -64 C ATOM 2837 H LEU A 204 59.315 10.710 17.961 1.00 8.02 H ATOM 2838 HA LEU A 204 60.133 11.872 16.419 1.00 8.48 H ATOM 2839 HB2 LEU A 204 60.021 9.622 14.747 1.00 9.44 H ATOM 2840 HB3 LEU A 204 60.931 10.901 14.515 1.00 9.44 H ATOM 2841 HG LEU A 204 61.300 9.004 16.568 1.00 11.89 H ATOM 2842 HD11 LEU A 204 63.256 8.452 15.429 1.00 12.75 H ATOM 2843 HD12 LEU A 204 61.978 8.216 14.515 1.00 12.75 H ATOM 2844 HD13 LEU A 204 62.882 9.504 14.298 1.00 12.75 H ATOM 2845 HD21 LEU A 204 63.228 10.143 17.213 1.00 13.86 H ATOM 2846 HD22 LEU A 204 62.916 11.282 16.151 1.00 13.86 H ATOM 2847 HD23 LEU A 204 61.959 11.080 17.402 1.00 13.86 H ATOM 2848 N VAL A 205 57.362 12.073 15.876 1.00 5.96 N ANISOU 2848 N VAL A 205 897 795 573 -17 -392 63 N ATOM 2849 CA VAL A 205 56.145 12.480 15.169 1.00 5.67 C ANISOU 2849 CA VAL A 205 790 780 583 14 -377 96 C ATOM 2850 C VAL A 205 56.307 13.770 14.369 1.00 6.20 C ANISOU 2850 C VAL A 205 899 812 643 195 -312 113 C ATOM 2851 O VAL A 205 55.563 13.996 13.412 1.00 6.27 O ANISOU 2851 O VAL A 205 981 873 528 63 -354 115 O ATOM 2852 CB VAL A 205 54.968 12.573 16.162 1.00 6.20 C ANISOU 2852 CB VAL A 205 754 979 623 -57 -256 79 C ATOM 2853 CG1 VAL A 205 55.158 13.699 17.175 1.00 6.55 C ANISOU 2853 CG1 VAL A 205 791 1107 592 15 -183 45 C ATOM 2854 CG2 VAL A 205 53.641 12.703 15.445 1.00 6.93 C ANISOU 2854 CG2 VAL A 205 764 1099 769 -59 -317 67 C ATOM 2855 H VAL A 205 57.270 12.034 16.730 1.00 7.15 H ATOM 2856 HA VAL A 205 55.923 11.782 14.533 1.00 6.80 H ATOM 2857 HB VAL A 205 54.936 11.744 16.665 1.00 7.44 H ATOM 2858 HG11 VAL A 205 54.395 13.716 17.774 1.00 7.86 H ATOM 2859 HG12 VAL A 205 55.971 13.536 17.678 1.00 7.86 H ATOM 2860 HG13 VAL A 205 55.225 14.542 16.700 1.00 7.86 H ATOM 2861 HG21 VAL A 205 52.931 12.758 16.104 1.00 8.31 H ATOM 2862 HG22 VAL A 205 53.654 13.508 14.904 1.00 8.31 H ATOM 2863 HG23 VAL A 205 53.510 11.926 14.881 1.00 8.31 H ATOM 2864 N LYS A 206 57.228 14.646 14.742 1.00 6.47 N ANISOU 2864 N LYS A 206 1008 789 663 133 -344 97 N ATOM 2865 CA LYS A 206 57.321 15.914 14.021 1.00 6.81 C ANISOU 2865 CA LYS A 206 1063 800 726 -114 -314 110 C ATOM 2866 C LYS A 206 58.121 15.818 12.731 1.00 6.66 C ANISOU 2866 C LYS A 206 1067 879 586 -94 -352 72 C ATOM 2867 O LYS A 206 58.143 16.781 11.965 1.00 7.10 O ANISOU 2867 O LYS A 206 1221 888 588 -27 -379 154 O ATOM 2868 CB LYS A 206 57.992 16.974 14.907 1.00 8.34 C ANISOU 2868 CB LYS A 206 1372 924 872 -317 -218 173 C ATOM 2869 CG LYS A 206 59.516 16.982 14.863 1.00 10.05 C ANISOU 2869 CG LYS A 206 1673 1191 954 -395 -396 202 C ATOM 2870 CD LYS A 206 60.092 17.929 15.912 1.00 12.07 C ANISOU 2870 CD LYS A 206 1905 1422 1258 -615 -492 253 C ATOM 2871 CE LYS A 206 61.564 18.140 15.701 1.00 13.58 C ANISOU 2871 CE LYS A 206 1974 1646 1541 -712 -850 234 C ATOM 2872 NZ LYS A 206 62.115 19.084 16.720 1.00 14.88 N ANISOU 2872 NZ LYS A 206 2127 1801 1726 -670 -1016 281 N ATOM 2873 H LYS A 206 57.793 14.541 15.382 1.00 7.77 H ATOM 2874 HA LYS A 206 56.428 16.222 13.802 1.00 8.18 H ATOM 2875 HB2 LYS A 206 57.687 17.850 14.623 1.00 10.01 H ATOM 2876 HB3 LYS A 206 57.726 16.820 15.827 1.00 10.01 H ATOM 2877 HG2 LYS A 206 59.847 16.089 15.044 1.00 12.06 H ATOM 2878 HG3 LYS A 206 59.811 17.280 13.988 1.00 12.06 H ATOM 2879 HD2 LYS A 206 59.648 18.789 15.846 1.00 14.48 H ATOM 2880 HD3 LYS A 206 59.961 17.549 16.794 1.00 14.48 H ATOM 2881 HE2 LYS A 206 62.027 17.292 15.787 1.00 16.30 H ATOM 2882 HE3 LYS A 206 61.713 18.519 14.821 1.00 16.30 H ATOM 2883 HZ1 LYS A 206 62.987 19.201 16.586 1.00 17.86 H ATOM 2884 HZ2 LYS A 206 61.705 19.871 16.659 1.00 17.86 H ATOM 2885 HZ3 LYS A 206 61.990 18.755 17.538 1.00 17.86 H ATOM 2886 N AGLU A 207 58.774 14.683 12.471 0.46 6.48 N ANISOU 2886 N AGLU A 207 952 987 524 -137 -330 9 N ATOM 2887 N BGLU A 207 58.773 14.693 12.454 0.54 6.62 N ANISOU 2887 N BGLU A 207 941 980 594 -163 -396 44 N ATOM 2888 CA AGLU A 207 59.855 14.660 11.489 0.46 6.33 C ANISOU 2888 CA AGLU A 207 745 1096 565 -119 -273 22 C ATOM 2889 CA BGLU A 207 59.858 14.722 11.482 0.54 6.59 C ANISOU 2889 CA BGLU A 207 716 1083 706 -166 -378 108 C ATOM 2890 C AGLU A 207 59.351 14.766 10.054 0.46 6.57 C ANISOU 2890 C AGLU A 207 914 1009 574 -94 -255 55 C ATOM 2891 C BGLU A 207 59.422 14.646 10.024 0.54 6.48 C ANISOU 2891 C BGLU A 207 833 1000 630 -109 -327 69 C ATOM 2892 O AGLU A 207 59.974 15.445 9.233 0.46 7.36 O ANISOU 2892 O AGLU A 207 1243 959 596 -53 -195 90 O ATOM 2893 O BGLU A 207 60.183 15.093 9.161 0.54 6.63 O ANISOU 2893 O BGLU A 207 934 948 636 55 -263 53 O ATOM 2894 CB AGLU A 207 60.691 13.393 11.664 0.46 7.21 C ANISOU 2894 CB AGLU A 207 803 1284 652 -51 -231 -17 C ATOM 2895 CB BGLU A 207 60.854 13.612 11.790 0.54 8.31 C ANISOU 2895 CB BGLU A 207 907 1303 946 -216 -437 187 C ATOM 2896 CG AGLU A 207 61.473 13.332 12.975 0.46 8.36 C ANISOU 2896 CG AGLU A 207 1005 1449 721 -67 -206 -23 C ATOM 2897 CG BGLU A 207 61.603 13.865 13.082 0.54 9.33 C ANISOU 2897 CG BGLU A 207 923 1499 1124 -224 -494 233 C ATOM 2898 CD AGLU A 207 62.488 14.452 13.122 0.46 9.17 C ANISOU 2898 CD AGLU A 207 1079 1629 775 -180 -219 -31 C ATOM 2899 CD BGLU A 207 62.658 12.837 13.353 0.54 11.10 C ANISOU 2899 CD BGLU A 207 1285 1669 1265 -65 -307 311 C ATOM 2900 OE1AGLU A 207 62.906 15.033 12.098 0.46 11.57 O ANISOU 2900 OE1AGLU A 207 1721 1772 902 -233 -323 -36 O ATOM 2901 OE1BGLU A 207 62.976 12.069 12.427 0.54 11.48 O ANISOU 2901 OE1BGLU A 207 1274 1702 1386 249 73 318 O ATOM 2902 OE2AGLU A 207 62.875 14.738 14.279 0.46 8.04 O ANISOU 2902 OE2AGLU A 207 720 1620 713 -277 -221 -96 O ATOM 2903 OE2BGLU A 207 63.169 12.800 14.493 0.54 10.81 O ANISOU 2903 OE2BGLU A 207 1114 1779 1216 -152 -409 342 O ATOM 2904 H AGLU A 207 58.612 13.925 12.844 0.46 7.78 H ATOM 2905 H BGLU A 207 58.614 13.924 12.804 0.54 7.94 H ATOM 2906 HA AGLU A 207 60.436 15.419 11.652 0.46 7.60 H ATOM 2907 HA BGLU A 207 60.329 15.563 11.589 0.54 7.91 H ATOM 2908 HB2AGLU A 207 60.100 12.624 11.638 0.46 8.65 H ATOM 2909 HB2BGLU A 207 60.378 12.771 11.876 0.54 9.97 H ATOM 2910 HB3AGLU A 207 61.330 13.339 10.937 0.46 8.65 H ATOM 2911 HB3BGLU A 207 61.502 13.557 11.070 0.54 9.97 H ATOM 2912 HG2AGLU A 207 60.850 13.395 13.716 0.46 10.03 H ATOM 2913 HG2BGLU A 207 62.035 14.732 13.031 0.54 11.20 H ATOM 2914 HG3AGLU A 207 61.951 12.489 13.017 0.46 10.03 H ATOM 2915 HG3BGLU A 207 60.974 13.851 13.820 0.54 11.20 H ATOM 2916 N GLU A 208 58.249 14.079 9.718 1.00 6.46 N ANISOU 2916 N GLU A 208 854 1034 566 -137 -237 67 N ATOM 2917 CA GLU A 208 57.830 13.903 8.330 1.00 7.03 C ANISOU 2917 CA GLU A 208 742 1197 733 0 -385 -41 C ATOM 2918 C GLU A 208 56.307 14.002 8.229 1.00 6.52 C ANISOU 2918 C GLU A 208 926 971 581 29 -376 10 C ATOM 2919 O GLU A 208 55.612 13.008 7.990 1.00 6.78 O ANISOU 2919 O GLU A 208 1054 879 645 -46 -441 11 O ATOM 2920 CB GLU A 208 58.355 12.573 7.790 1.00 10.18 C ANISOU 2920 CB GLU A 208 977 1675 1216 60 -368 -232 C ATOM 2921 CG GLU A 208 58.219 12.436 6.315 1.00 14.61 C ANISOU 2921 CG GLU A 208 1514 2358 1678 418 -553 -481 C ATOM 2922 CD GLU A 208 59.085 11.344 5.735 0.72 20.78 C ANISOU 2922 CD GLU A 208 2869 2970 2058 743 -405 -670 C ATOM 2923 OE1 GLU A 208 59.025 11.177 4.497 0.68 23.69 O ANISOU 2923 OE1 GLU A 208 3503 3281 2218 587 -249 -781 O ATOM 2924 OE2 GLU A 208 59.814 10.664 6.505 1.00 22.21 O ANISOU 2924 OE2 GLU A 208 3052 3158 2229 1071 -322 -689 O ATOM 2925 H AGLU A 208 57.724 13.704 10.287 0.46 7.75 H ATOM 2926 H BGLU A 208 57.681 13.790 10.296 0.54 7.75 H ATOM 2927 HA GLU A 208 58.212 14.615 7.793 1.00 8.44 H ATOM 2928 HB2 GLU A 208 59.297 12.495 8.011 1.00 12.22 H ATOM 2929 HB3 GLU A 208 57.859 11.849 8.203 1.00 12.22 H ATOM 2930 HG2 GLU A 208 57.296 12.229 6.103 1.00 17.53 H ATOM 2931 HG3 GLU A 208 58.475 13.273 5.897 1.00 17.53 H ATOM 2932 N ALA A 209 55.810 15.222 8.379 1.00 6.47 N ANISOU 2932 N ALA A 209 945 969 546 -20 -383 78 N ATOM 2933 CA ALA A 209 54.386 15.516 8.367 1.00 5.62 C ANISOU 2933 CA ALA A 209 726 897 513 -190 -305 44 C ATOM 2934 C ALA A 209 54.007 16.150 7.038 1.00 5.75 C ANISOU 2934 C ALA A 209 735 928 521 52 -231 70 C ATOM 2935 O ALA A 209 54.708 17.042 6.552 1.00 6.56 O ANISOU 2935 O ALA A 209 931 954 606 -158 -330 86 O ATOM 2936 CB ALA A 209 54.068 16.497 9.501 1.00 6.24 C ANISOU 2936 CB ALA A 209 985 889 496 -19 -335 -65 C ATOM 2937 H ALA A 209 56.298 15.921 8.493 1.00 7.77 H ATOM 2938 HA ALA A 209 53.873 14.703 8.493 1.00 6.75 H ATOM 2939 HB1 ALA A 209 53.118 16.693 9.492 1.00 7.49 H ATOM 2940 HB2 ALA A 209 54.315 16.092 10.347 1.00 7.49 H ATOM 2941 HB3 ALA A 209 54.575 17.313 9.364 1.00 7.49 H ATOM 2942 N ASER A 210 52.902 15.682 6.452 0.33 5.45 N ANISOU 2942 N ASER A 210 712 848 510 75 -299 68 N ATOM 2943 N BSER A 210 52.888 15.726 6.467 0.67 5.38 N ANISOU 2943 N BSER A 210 737 897 410 -8 -270 96 N ATOM 2944 CA ASER A 210 52.502 16.080 5.106 0.33 5.37 C ANISOU 2944 CA ASER A 210 681 773 588 144 -329 79 C ATOM 2945 CA BSER A 210 52.491 16.286 5.183 0.67 5.96 C ANISOU 2945 CA BSER A 210 889 889 485 67 -302 122 C ATOM 2946 C ASER A 210 50.985 16.086 4.988 0.33 5.83 C ANISOU 2946 C ASER A 210 863 776 576 205 -306 124 C ATOM 2947 C BSER A 210 51.011 16.048 4.948 0.67 5.83 C ANISOU 2947 C BSER A 210 924 835 456 73 -296 123 C ATOM 2948 O ASER A 210 50.270 15.534 5.828 0.33 6.27 O ANISOU 2948 O ASER A 210 995 760 628 279 -276 143 O ATOM 2949 O BSER A 210 50.354 15.289 5.661 0.67 5.75 O ANISOU 2949 O BSER A 210 1004 783 398 -167 -255 63 O ATOM 2950 CB ASER A 210 53.060 15.115 4.058 0.33 6.05 C ANISOU 2950 CB ASER A 210 837 791 672 159 -318 26 C ATOM 2951 CB BSER A 210 53.323 15.685 4.058 0.67 7.50 C ANISOU 2951 CB BSER A 210 1342 945 562 117 -234 1 C ATOM 2952 OG ASER A 210 54.454 14.974 4.208 0.33 5.75 O ANISOU 2952 OG ASER A 210 668 795 723 38 -312 -26 O ATOM 2953 OG BSER A 210 53.075 14.302 4.016 0.67 8.52 O ANISOU 2953 OG BSER A 210 1657 974 605 199 -174 -178 O ATOM 2954 H ASER A 210 52.361 15.125 6.822 0.33 6.54 H ATOM 2955 H BSER A 210 52.355 15.133 6.790 0.67 6.46 H ATOM 2956 HA ASER A 210 52.833 16.972 4.916 0.33 6.45 H ATOM 2957 HA BSER A 210 52.645 17.243 5.193 0.67 7.15 H ATOM 2958 HB2ASER A 210 52.640 14.248 4.171 0.33 7.26 H ATOM 2959 HB2BSER A 210 53.063 16.086 3.214 0.67 9.00 H ATOM 2960 HB3ASER A 210 52.870 15.464 3.173 0.33 7.26 H ATOM 2961 HB3BSER A 210 54.264 15.839 4.233 0.67 9.00 H ATOM 2962 HG ASER A 210 54.753 14.443 3.630 0.33 6.90 H ATOM 2963 HG BSER A 210 53.524 13.949 3.401 0.67 10.22 H ATOM 2964 N SER A 211 50.495 16.714 3.921 1.00 5.62 N ANISOU 2964 N SER A 211 870 789 477 71 -306 126 N ATOM 2965 CA SER A 211 49.096 16.571 3.558 1.00 6.16 C ANISOU 2965 CA SER A 211 1019 795 528 53 -305 14 C ATOM 2966 C SER A 211 48.926 16.757 2.059 1.00 4.93 C ANISOU 2966 C SER A 211 670 735 470 62 -274 -1 C ATOM 2967 O SER A 211 49.563 17.614 1.446 1.00 6.59 O ANISOU 2967 O SER A 211 1247 777 481 -122 -326 23 O ATOM 2968 CB SER A 211 48.203 17.593 4.264 1.00 6.71 C ANISOU 2968 CB SER A 211 1049 805 695 226 -278 -63 C ATOM 2969 OG SER A 211 46.845 17.396 3.924 1.00 6.55 O ANISOU 2969 OG SER A 211 979 802 709 197 -357 -73 O ATOM 2970 H SER A 211 50.944 17.240 3.410 1.00 6.75 H ATOM 2971 HA SER A 211 48.790 15.681 3.794 1.00 7.40 H ATOM 2972 HB2 SER A 211 48.306 17.493 5.223 1.00 8.05 H ATOM 2973 HB3 SER A 211 48.470 18.485 3.992 1.00 8.05 H ATOM 2974 HG SER A 211 46.741 17.480 3.095 1.00 7.86 H ATOM 2975 N ALA A 212 48.034 15.972 1.482 1.00 5.21 N ANISOU 2975 N ALA A 212 868 577 533 37 -375 3 N ATOM 2976 CA ALA A 212 47.558 16.254 0.142 1.00 6.02 C ANISOU 2976 CA ALA A 212 1086 672 530 -12 -383 44 C ATOM 2977 C ALA A 212 46.748 17.543 0.127 1.00 6.90 C ANISOU 2977 C ALA A 212 1392 712 517 -38 -316 80 C ATOM 2978 O ALA A 212 46.209 17.987 1.149 1.00 7.33 O ANISOU 2978 O ALA A 212 1470 737 577 73 -333 127 O ATOM 2979 CB ALA A 212 46.657 15.122 -0.346 1.00 6.39 C ANISOU 2979 CB ALA A 212 1106 740 582 -145 -411 24 C ATOM 2980 H ALA A 212 47.689 15.272 1.844 1.00 6.25 H ATOM 2981 HA ALA A 212 48.309 16.345 -0.465 1.00 7.23 H ATOM 2982 HB1 ALA A 212 46.349 15.328 -1.243 1.00 7.67 H ATOM 2983 HB2 ALA A 212 47.164 14.295 -0.352 1.00 7.67 H ATOM 2984 HB3 ALA A 212 45.899 15.041 0.254 1.00 7.67 H ATOM 2985 N VAL A 213 46.647 18.122 -1.069 1.00 6.07 N ANISOU 2985 N VAL A 213 1053 757 496 197 -307 49 N ATOM 2986 CA VAL A 213 45.814 19.286 -1.339 1.00 6.76 C ANISOU 2986 CA VAL A 213 1110 819 638 30 -283 22 C ATOM 2987 C VAL A 213 44.737 18.874 -2.323 1.00 6.79 C ANISOU 2987 C VAL A 213 1165 800 614 18 -328 88 C ATOM 2988 O VAL A 213 45.041 18.355 -3.405 1.00 7.66 O ANISOU 2988 O VAL A 213 1494 768 647 165 -352 137 O ATOM 2989 CB VAL A 213 46.637 20.436 -1.934 1.00 7.10 C ANISOU 2989 CB VAL A 213 1106 798 792 -79 -292 19 C ATOM 2990 CG1 VAL A 213 45.740 21.629 -2.229 1.00 7.45 C ANISOU 2990 CG1 VAL A 213 1087 760 984 39 -368 37 C ATOM 2991 CG2 VAL A 213 47.781 20.813 -0.988 1.00 7.34 C ANISOU 2991 CG2 VAL A 213 1119 879 792 -140 -335 -12 C ATOM 2992 H VAL A 213 47.072 17.845 -1.764 1.00 7.28 H ATOM 2993 HA VAL A 213 45.393 19.590 -0.520 1.00 8.11 H ATOM 2994 HB VAL A 213 47.028 20.142 -2.772 1.00 8.51 H ATOM 2995 HG11 VAL A 213 46.278 22.344 -2.603 1.00 8.94 H ATOM 2996 HG12 VAL A 213 45.057 21.362 -2.863 1.00 8.94 H ATOM 2997 HG13 VAL A 213 45.327 21.924 -1.402 1.00 8.94 H ATOM 2998 HG21 VAL A 213 48.289 21.540 -1.381 1.00 8.81 H ATOM 2999 HG22 VAL A 213 47.407 21.092 -0.137 1.00 8.81 H ATOM 3000 HG23 VAL A 213 48.353 20.040 -0.861 1.00 8.81 H ATOM 3001 N VAL A 214 43.487 19.140 -1.963 1.00 6.96 N ANISOU 3001 N VAL A 214 1027 935 682 -23 -377 -52 N ATOM 3002 CA VAL A 214 42.352 18.993 -2.865 1.00 9.09 C ANISOU 3002 CA VAL A 214 1440 1105 907 17 -539 26 C ATOM 3003 C VAL A 214 41.942 20.381 -3.318 1.00 11.89 C ANISOU 3003 C VAL A 214 1808 1402 1306 88 -562 52 C ATOM 3004 O VAL A 214 41.742 21.278 -2.488 1.00 12.32 O ANISOU 3004 O VAL A 214 1964 1444 1272 244 -500 113 O ATOM 3005 CB VAL A 214 41.174 18.314 -2.156 1.00 9.08 C ANISOU 3005 CB VAL A 214 1385 1149 915 150 -386 -78 C ATOM 3006 CG1 VAL A 214 39.909 18.347 -3.038 1.00 9.49 C ANISOU 3006 CG1 VAL A 214 1532 1049 1023 99 -379 -201 C ATOM 3007 CG2 VAL A 214 41.535 16.888 -1.768 1.00 9.31 C ANISOU 3007 CG2 VAL A 214 1429 1216 891 93 -308 16 C ATOM 3008 H VAL A 214 43.266 19.414 -1.178 1.00 8.35 H ATOM 3009 HA VAL A 214 42.605 18.467 -3.639 1.00 10.90 H ATOM 3010 HB VAL A 214 40.978 18.802 -1.341 1.00 10.89 H ATOM 3011 HG11 VAL A 214 39.183 17.911 -2.564 1.00 11.38 H ATOM 3012 HG12 VAL A 214 39.677 19.270 -3.222 1.00 11.38 H ATOM 3013 HG13 VAL A 214 40.091 17.879 -3.868 1.00 11.38 H ATOM 3014 HG21 VAL A 214 40.776 16.481 -1.322 1.00 11.17 H ATOM 3015 HG22 VAL A 214 41.756 16.389 -2.569 1.00 11.17 H ATOM 3016 HG23 VAL A 214 42.298 16.908 -1.169 1.00 11.17 H ATOM 3017 N AGLY A 215 41.736 20.543 -4.619 0.48 13.90 N ATOM 3018 N BGLY A 215 41.747 20.554 -4.624 0.52 13.90 N ATOM 3019 CA AGLY A 215 41.295 21.821 -5.166 0.48 14.92 C ATOM 3020 CA BGLY A 215 41.316 21.841 -5.185 0.52 14.92 C ATOM 3021 C AGLY A 215 42.469 22.698 -5.452 0.48 24.05 C ATOM 3022 C BGLY A 215 42.492 22.760 -5.387 0.52 24.05 C ATOM 3023 O AGLY A 215 42.217 23.698 -6.100 0.48 26.40 O ATOM 3024 O BGLY A 215 43.628 22.352 -5.459 0.52 26.40 O TER 3025 GLY A 215 If you find results from this site helpful for your research, please cite one of our papers:
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