Browse entries in the PDBbind-CN Database
HEADER RNA BINDING PROTEIN 04-JUL-13 4LJ0 TITLE NAB2 ZN FINGERS COMPLEXED WITH POLYADENOSINE COMPND MOL_ID: 1; COMPND 2 MOLECULE: NAB2; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: NAB2 ZN FINGERS 3-5, UNP RESIDUES 401-466; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: POLYADENOSINE RNA; COMPND 8 CHAIN: C, D, E; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CHAETOMIUM THERMOPHILUM; SOURCE 3 ORGANISM_TAXID: 759272; SOURCE 4 STRAIN: DSM 1495 / CBS 144.50 / IMI 039719; SOURCE 5 GENE: CTHT_0057680, NAB2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 10 OTHER_DETAILS: AAAAAA KEYWDS ZN FINGER, POLYADENYLATION, POLYADENOSINE RNA, RNA BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.STEWART,S.I.KUHLMANN,E.VALKOV REVDAT 2 22-JAN-14 4LJ0 1 JRNL REVDAT 1 09-OCT-13 4LJ0 0 JRNL AUTH S.I.KUHLMANN,E.VALKOV,M.STEWART JRNL TITL STRUCTURAL BASIS FOR THE MOLECULAR RECOGNITION OF JRNL TITL 2 POLYADENOSINE RNA BY NAB2 ZN FINGERS. JRNL REF NUCLEIC ACIDS RES. V. 42 672 2014 JRNL REFN ISSN 0305-1048 JRNL PMID 24071581 JRNL DOI 10.1093/NAR/GKT876 REMARK 2 REMARK 2 RESOLUTION. 2.15 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.8.2_1309) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.15 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 44.58 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 14328 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.195 REMARK 3 R VALUE (WORKING SET) : 0.195 REMARK 3 FREE R VALUE : 0.207 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.890 REMARK 3 FREE R VALUE TEST SET COUNT : 701 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 44.5899 - 3.6759 1.00 2830 136 0.1748 0.1722 REMARK 3 2 3.6759 - 2.9178 1.00 2724 148 0.2019 0.2261 REMARK 3 3 2.9178 - 2.5491 1.00 2711 123 0.2145 0.2305 REMARK 3 4 2.5491 - 2.3160 1.00 2683 149 0.2168 0.2416 REMARK 3 5 2.3160 - 2.1500 1.00 2679 145 0.2660 0.2902 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) : 0.230 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.990 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.003 1310 REMARK 3 ANGLE : 0.866 1813 REMARK 3 CHIRALITY : 0.043 185 REMARK 3 PLANARITY : 0.004 207 REMARK 3 DIHEDRAL : 14.125 523 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 6 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: (chain A and resid 402:419) REMARK 3 ORIGIN FOR THE GROUP (A): -26.9725 30.8932 -16.4063 REMARK 3 T TENSOR REMARK 3 T11: 0.2993 T22: 0.4584 REMARK 3 T33: 0.4747 T12: -0.2037 REMARK 3 T13: -0.0165 T23: 0.0734 REMARK 3 L TENSOR REMARK 3 L11: 4.2059 L22: 5.2022 REMARK 3 L33: 2.6099 L12: -2.1360 REMARK 3 L13: 0.4045 L23: 3.0479 REMARK 3 S TENSOR REMARK 3 S11: -0.0367 S12: -0.6400 S13: 0.1612 REMARK 3 S21: 0.3632 S22: 0.4374 S23: 0.2480 REMARK 3 S31: 0.3042 S32: -0.0939 S33: -0.3010 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: (chain A and resid 420:448) REMARK 3 ORIGIN FOR THE GROUP (A): -41.9251 24.7447 -16.9515 REMARK 3 T TENSOR REMARK 3 T11: 0.3922 T22: 0.3714 REMARK 3 T33: 0.2834 T12: -0.0880 REMARK 3 T13: -0.0289 T23: -0.0248 REMARK 3 L TENSOR REMARK 3 L11: 3.4016 L22: 3.9571 REMARK 3 L33: 2.3489 L12: -0.4100 REMARK 3 L13: 0.1896 L23: 0.4413 REMARK 3 S TENSOR REMARK 3 S11: 0.0777 S12: 0.0894 S13: -0.0601 REMARK 3 S21: 0.1508 S22: -0.1583 S23: -0.0333 REMARK 3 S31: -0.2473 S32: -0.0785 S33: 0.0690 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: (chain A and resid 449:466) REMARK 3 ORIGIN FOR THE GROUP (A): -49.0247 32.7773 -21.6716 REMARK 3 T TENSOR REMARK 3 T11: 0.4810 T22: 0.4911 REMARK 3 T33: 0.3159 T12: 0.0590 REMARK 3 T13: -0.0536 T23: -0.0345 REMARK 3 L TENSOR REMARK 3 L11: 8.2898 L22: 9.6501 REMARK 3 L33: 8.6044 L12: -0.8690 REMARK 3 L13: 3.1729 L23: -2.1314 REMARK 3 S TENSOR REMARK 3 S11: -0.0960 S12: -0.0496 S13: 0.5766 REMARK 3 S21: -0.0563 S22: -0.0122 S23: 0.3175 REMARK 3 S31: -0.9506 S32: -1.0540 S33: 0.0581 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: (chain B and resid 402:414) REMARK 3 ORIGIN FOR THE GROUP (A): -21.4319 38.8893 -2.7161 REMARK 3 T TENSOR REMARK 3 T11: 0.5354 T22: 0.9195 REMARK 3 T33: 0.6388 T12: -0.1743 REMARK 3 T13: 0.0385 T23: -0.0940 REMARK 3 L TENSOR REMARK 3 L11: 4.6053 L22: 4.3991 REMARK 3 L33: 4.1815 L12: -2.5858 REMARK 3 L13: 0.2637 L23: -3.0560 REMARK 3 S TENSOR REMARK 3 S11: 0.2015 S12: -1.4253 S13: 0.2355 REMARK 3 S21: 1.3976 S22: 0.3035 S23: -0.0762 REMARK 3 S31: -0.2917 S32: 0.2410 S33: -0.3651 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: (chain B and resid 415:444) REMARK 3 ORIGIN FOR THE GROUP (A): -32.7360 42.8942 0.7055 REMARK 3 T TENSOR REMARK 3 T11: 0.4341 T22: 0.5939 REMARK 3 T33: 0.6115 T12: -0.1345 REMARK 3 T13: 0.1265 T23: -0.1472 REMARK 3 L TENSOR REMARK 3 L11: 6.5005 L22: 3.3212 REMARK 3 L33: 6.0952 L12: -0.5894 REMARK 3 L13: -3.6413 L23: 0.7729 REMARK 3 S TENSOR REMARK 3 S11: 0.3228 S12: -1.4209 S13: 1.9984 REMARK 3 S21: -0.0106 S22: 0.2019 S23: -0.4883 REMARK 3 S31: -0.8837 S32: 0.6083 S33: -0.3909 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: (chain B and resid 445:465) REMARK 3 ORIGIN FOR THE GROUP (A): -31.0157 56.9495 -4.3455 REMARK 3 T TENSOR REMARK 3 T11: 1.3448 T22: 0.4943 REMARK 3 T33: 1.7999 T12: -0.2131 REMARK 3 T13: 0.3163 T23: -0.0914 REMARK 3 L TENSOR REMARK 3 L11: 4.2530 L22: 2.2207 REMARK 3 L33: 2.5635 L12: 2.5525 REMARK 3 L13: 2.2326 L23: 0.3614 REMARK 3 S TENSOR REMARK 3 S11: -0.0897 S12: -0.2461 S13: 1.6283 REMARK 3 S21: 0.0031 S22: -0.0963 S23: 0.3998 REMARK 3 S31: -1.0669 S32: -0.0149 S33: 0.3648 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 4LJ0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-JUL-13. REMARK 100 THE RCSB ID CODE IS RCSB080689. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-SEP-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I02 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795 REMARK 200 MONOCHROMATOR : SI 111 REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : STORAGE PHOSPHORS REMARK 200 DETECTOR MANUFACTURER : PSI PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14357 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.150 REMARK 200 RESOLUTION RANGE LOW (A) : 44.580 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 12.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.15 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.27 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 56.52 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.83 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SEE MANUSCRIPT, PH 8.5, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.02700 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 36.05400 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 36.05400 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 18.02700 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 SER A 401 REMARK 465 SER B 401 REMARK 465 GLY B 466 REMARK 465 A C 5 REMARK 465 A C 6 REMARK 465 A C 7 REMARK 465 A C 8 REMARK 465 A D 5 REMARK 465 A D 6 REMARK 465 A D 7 REMARK 465 A D 8 REMARK 465 A E 3 REMARK 465 A E 4 REMARK 465 A E 5 REMARK 465 A E 6 REMARK 465 A E 7 REMARK 465 A E 8 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 OP1 A D 3 O HOH D 203 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 501 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 420 NE2 REMARK 620 2 CYS A 405 SG 108.5 REMARK 620 3 CYS A 411 SG 117.2 108.3 REMARK 620 4 CYS A 416 SG 99.8 113.1 110.0 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 503 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 460 NE2 REMARK 620 2 CYS A 451 SG 106.3 REMARK 620 3 CYS A 456 SG 101.6 115.2 REMARK 620 4 CYS A 446 SG 107.9 110.0 114.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 502 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH B 603 O REMARK 620 2 HIS B 441 NE2 171.1 REMARK 620 3 CYS B 426 SG 67.5 117.5 REMARK 620 4 CYS B 437 SG 81.0 103.4 108.2 REMARK 620 5 CYS B 432 SG 68.7 102.4 112.8 112.3 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 502 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 441 NE2 REMARK 620 2 CYS A 437 SG 104.0 REMARK 620 3 CYS A 426 SG 110.7 109.0 REMARK 620 4 CYS A 432 SG 107.8 116.6 108.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG C 101 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 A C 3 OP1 REMARK 620 2 A C 4 OP2 103.2 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 501 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 416 SG REMARK 620 2 HIS B 420 NE2 96.7 REMARK 620 3 CYS B 405 SG 118.2 116.5 REMARK 620 4 CYS B 411 SG 108.7 102.2 112.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 503 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 460 NE2 REMARK 620 2 CYS B 446 SG 112.9 REMARK 620 3 CYS B 456 SG 97.8 107.4 REMARK 620 4 CYS B 451 SG 111.9 124.7 96.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG D 101 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH D 203 O REMARK 620 2 A D 4 OP2 66.3 REMARK 620 3 A D 3 OP1 47.4 59.5 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG C 102 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 A C 3 OP2 REMARK 620 2 A D 3 OP2 80.7 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 502 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 503 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 504 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 505 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 502 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 503 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 102 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 103 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 101 DBREF 4LJ0 A 401 466 UNP G0SCL7 G0SCL7_CHATD 401 466 DBREF 4LJ0 B 401 466 UNP G0SCL7 G0SCL7_CHATD 401 466 DBREF 4LJ0 C 1 8 PDB 4LJ0 4LJ0 1 8 DBREF 4LJ0 D 1 8 PDB 4LJ0 4LJ0 1 8 DBREF 4LJ0 E 1 8 PDB 4LJ0 4LJ0 1 8 SEQRES 1 A 66 SER GLU GLN ASP CYS LYS TYR TRP PRO ASN CYS ALA ASN SEQRES 2 A 66 PRO LEU CYS ALA PHE ARG HIS PRO THR MET PRO PRO CYS SEQRES 3 A 66 ARG ASN GLY GLY GLU CYS LYS VAL PRO GLY CYS LYS PHE SEQRES 4 A 66 THR HIS LEU LYS THR PRO CYS LYS PHE ARG PRO CYS THR SEQRES 5 A 66 ASN ARG SER CYS PRO PHE LEU HIS GLU GLU GLY GLN ARG SEQRES 6 A 66 GLY SEQRES 1 B 66 SER GLU GLN ASP CYS LYS TYR TRP PRO ASN CYS ALA ASN SEQRES 2 B 66 PRO LEU CYS ALA PHE ARG HIS PRO THR MET PRO PRO CYS SEQRES 3 B 66 ARG ASN GLY GLY GLU CYS LYS VAL PRO GLY CYS LYS PHE SEQRES 4 B 66 THR HIS LEU LYS THR PRO CYS LYS PHE ARG PRO CYS THR SEQRES 5 B 66 ASN ARG SER CYS PRO PHE LEU HIS GLU GLU GLY GLN ARG SEQRES 6 B 66 GLY SEQRES 1 C 8 A A A A A A A A SEQRES 1 D 8 A A A A A A A A SEQRES 1 E 8 A A A A A A A A HET ZN A 501 1 HET ZN A 502 1 HET ZN A 503 1 HET ACT A 504 7 HET ACT A 505 7 HET ZN B 501 1 HET ZN B 502 1 HET ZN B 503 1 HET MG C 101 1 HET MG C 102 1 HET MG C 103 1 HET MG D 101 1 HETNAM ZN ZINC ION HETNAM ACT ACETATE ION HETNAM MG MAGNESIUM ION FORMUL 6 ZN 6(ZN 2+) FORMUL 9 ACT 2(C2 H3 O2 1-) FORMUL 14 MG 4(MG 2+) FORMUL 18 HOH *25(H2 O) LINK NE2 HIS A 420 ZN ZN A 501 1555 1555 1.97 LINK NE2 HIS A 460 ZN ZN A 503 1555 1555 1.97 LINK ZN ZN B 502 O HOH B 603 1555 1555 2.02 LINK NE2 HIS B 441 ZN ZN B 502 1555 1555 2.07 LINK NE2 HIS A 441 ZN ZN A 502 1555 1555 2.09 LINK OP1 A C 3 MG MG C 101 1555 1555 2.09 LINK SG CYS B 416 ZN ZN B 501 1555 1555 2.21 LINK NE2 HIS B 420 ZN ZN B 501 1555 1555 2.21 LINK SG CYS B 405 ZN ZN B 501 1555 1555 2.21 LINK SG CYS A 437 ZN ZN A 502 1555 1555 2.21 LINK SG CYS A 451 ZN ZN A 503 1555 1555 2.23 LINK NE2 HIS B 460 ZN ZN B 503 1555 1555 2.23 LINK OP1 A C 2 MG MG C 103 1555 1555 2.24 LINK SG CYS B 411 ZN ZN B 501 1555 1555 2.26 LINK MG MG D 101 O HOH D 203 1555 1555 2.26 LINK SG CYS A 405 ZN ZN A 501 1555 1555 2.26 LINK SG CYS A 456 ZN ZN A 503 1555 1555 2.27 LINK SG CYS B 426 ZN ZN B 502 1555 1555 2.28 LINK SG CYS A 411 ZN ZN A 501 1555 1555 2.28 LINK SG CYS B 446 ZN ZN B 503 1555 1555 2.29 LINK SG CYS A 426 ZN ZN A 502 1555 1555 2.29 LINK SG CYS B 437 ZN ZN B 502 1555 1555 2.29 LINK SG CYS A 432 ZN ZN A 502 1555 1555 2.30 LINK SG CYS A 446 ZN ZN A 503 1555 1555 2.34 LINK OP2 A C 3 MG MG C 102 1555 1555 2.34 LINK SG CYS A 416 ZN ZN A 501 1555 1555 2.37 LINK OP2 A D 3 MG MG C 102 1555 1555 2.39 LINK SG CYS B 456 ZN ZN B 503 1555 1555 2.44 LINK OP2 A C 4 MG MG C 101 1555 1555 2.45 LINK SG CYS B 432 ZN ZN B 502 1555 1555 2.50 LINK SG CYS B 451 ZN ZN B 503 1555 1555 2.55 LINK OP2 A D 4 MG MG D 101 1555 1555 2.61 LINK OP1 A D 3 MG MG D 101 1555 1555 2.92 CISPEP 1 TRP A 408 PRO A 409 0 5.12 CISPEP 2 ARG A 449 PRO A 450 0 -2.17 CISPEP 3 TRP B 408 PRO B 409 0 7.43 CISPEP 4 ARG B 449 PRO B 450 0 -0.18 SITE 1 AC1 4 CYS A 405 CYS A 411 CYS A 416 HIS A 420 SITE 1 AC2 4 CYS A 426 CYS A 432 CYS A 437 HIS A 441 SITE 1 AC3 4 CYS A 446 CYS A 451 CYS A 456 HIS A 460 SITE 1 AC4 4 CYS A 405 LYS A 406 TRP A 408 ACT A 505 SITE 1 AC5 4 LEU A 442 LYS A 443 THR A 444 ACT A 504 SITE 1 AC6 4 CYS B 405 CYS B 411 CYS B 416 HIS B 420 SITE 1 AC7 5 CYS B 426 CYS B 432 CYS B 437 HIS B 441 SITE 2 AC7 5 HOH B 603 SITE 1 AC8 4 CYS B 446 CYS B 451 CYS B 456 HIS B 460 SITE 1 AC9 2 A C 3 A C 4 SITE 1 BC1 2 A C 3 A D 3 SITE 1 BC2 2 ASN B 410 A C 2 SITE 1 BC3 4 GLU A 462 A D 3 A D 4 HOH D 203 CRYST1 90.929 90.929 54.081 90.00 90.00 120.00 P 31 2 1 18 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 0.010998 0.006349 0.000000 0.00000 SCALE2 0.000000 0.012699 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018491 0.00000 ATOM 1 N GLU A 402 -23.184 28.755 -5.291 1.00 87.51 N ANISOU 1 N GLU A 402 11454 12926 8869 279 -653 -7 N ATOM 2 CA GLU A 402 -23.676 28.804 -6.663 1.00 85.38 C ANISOU 2 CA GLU A 402 10939 12447 9054 -144 -531 153 C ATOM 3 C GLU A 402 -24.809 29.811 -6.808 1.00 83.22 C ANISOU 3 C GLU A 402 10405 12241 8975 -347 -240 220 C ATOM 4 O GLU A 402 -25.752 29.818 -6.018 1.00 90.66 O ANISOU 4 O GLU A 402 11440 13316 9691 -313 -3 428 O ATOM 5 CB GLU A 402 -24.164 27.425 -7.106 1.00 85.13 C ANISOU 5 CB GLU A 402 11140 12210 8996 -332 -470 607 C ATOM 6 CG GLU A 402 -23.069 26.378 -7.199 1.00 91.10 C ANISOU 6 CG GLU A 402 12130 12844 9641 -167 -789 543 C ATOM 7 CD GLU A 402 -22.050 26.689 -8.277 1.00 92.92 C ANISOU 7 CD GLU A 402 12096 12982 10229 -247 -1018 181 C ATOM 8 OE1 GLU A 402 -22.359 27.495 -9.180 1.00 93.18 O ANISOU 8 OE1 GLU A 402 11818 12976 10611 -506 -889 116 O ATOM 9 OE2 GLU A 402 -20.936 26.126 -8.219 1.00 94.54 O ANISOU 9 OE2 GLU A 402 12413 13150 10359 -41 -1321 -43 O ATOM 10 HA GLU A 402 -22.954 29.074 -7.252 1.00102.45 H ATOM 11 HB2 GLU A 402 -24.822 27.108 -6.468 1.00102.16 H ATOM 12 HB3 GLU A 402 -24.571 27.505 -7.984 1.00102.16 H ATOM 13 HG2 GLU A 402 -22.603 26.332 -6.350 1.00109.32 H ATOM 14 HG3 GLU A 402 -23.470 25.519 -7.405 1.00109.32 H ATOM 15 N GLN A 403 -24.703 30.660 -7.823 1.00 72.51 N ANISOU 15 N GLN A 403 8732 10785 8034 -548 -253 37 N ATOM 16 CA GLN A 403 -25.749 31.618 -8.147 1.00 63.71 C ANISOU 16 CA GLN A 403 7369 9682 7156 -738 -31 86 C ATOM 17 C GLN A 403 -26.502 31.149 -9.384 1.00 58.91 C ANISOU 17 C GLN A 403 6701 8859 6823 -1074 62 392 C ATOM 18 O GLN A 403 -25.907 30.583 -10.300 1.00 58.18 O ANISOU 18 O GLN A 403 6641 8598 6867 -1177 -82 412 O ATOM 19 CB GLN A 403 -25.146 33.001 -8.399 1.00 63.49 C ANISOU 19 CB GLN A 403 7058 9661 7404 -699 -112 -332 C ATOM 20 CG GLN A 403 -24.764 33.752 -7.137 1.00 72.96 C ANISOU 20 CG GLN A 403 8223 11095 8404 -374 -171 -680 C ATOM 21 CD GLN A 403 -24.059 35.059 -7.433 1.00 75.59 C ANISOU 21 CD GLN A 403 8255 11374 9090 -355 -263 -1123 C ATOM 22 OE1 GLN A 403 -22.830 35.120 -7.460 1.00 78.06 O ANISOU 22 OE1 GLN A 403 8520 11651 9489 -235 -465 -1460 O ATOM 23 NE2 GLN A 403 -24.835 36.115 -7.658 1.00 71.19 N ANISOU 23 NE2 GLN A 403 7482 10791 8775 -474 -114 -1144 N ATOM 24 H GLN A 403 -24.022 30.700 -8.348 1.00 87.01 H ATOM 25 HA GLN A 403 -26.374 31.682 -7.408 1.00 76.45 H ATOM 26 HB2 GLN A 403 -24.345 32.898 -8.936 1.00 76.19 H ATOM 27 HB3 GLN A 403 -25.794 33.540 -8.879 1.00 76.19 H ATOM 28 HG2 GLN A 403 -25.568 33.951 -6.632 1.00 87.55 H ATOM 29 HG3 GLN A 403 -24.167 33.200 -6.609 1.00 87.55 H ATOM 30 HE21 GLN A 403 -25.690 36.033 -7.632 1.00 85.43 H ATOM 31 HE22 GLN A 403 -24.481 36.879 -7.830 1.00 85.43 H ATOM 32 N ASP A 404 -27.811 31.381 -9.402 1.00 54.24 N ANISOU 32 N ASP A 404 6006 8285 6317 -1221 289 592 N ATOM 33 CA ASP A 404 -28.639 31.010 -10.542 1.00 53.11 C ANISOU 33 CA ASP A 404 5772 7951 6455 -1502 350 828 C ATOM 34 C ASP A 404 -28.357 31.910 -11.731 1.00 52.29 C ANISOU 34 C ASP A 404 5474 7715 6680 -1607 247 653 C ATOM 35 O ASP A 404 -28.260 33.127 -11.587 1.00 61.59 O ANISOU 35 O ASP A 404 6495 8949 7958 -1540 262 420 O ATOM 36 CB ASP A 404 -30.125 31.115 -10.190 1.00 55.35 C ANISOU 36 CB ASP A 404 5946 8300 6783 -1609 613 1012 C ATOM 37 CG ASP A 404 -30.565 30.075 -9.182 1.00 67.19 C ANISOU 37 CG ASP A 404 7663 9876 7989 -1575 800 1275 C ATOM 38 OD1 ASP A 404 -29.763 29.174 -8.859 1.00 66.07 O ANISOU 38 OD1 ASP A 404 7795 9700 7610 -1467 688 1358 O ATOM 39 OD2 ASP A 404 -31.725 30.157 -8.722 1.00 80.26 O ANISOU 39 OD2 ASP A 404 9222 11614 9659 -1655 1069 1399 O ATOM 40 H ASP A 404 -28.246 31.755 -8.762 1.00 65.08 H ATOM 41 HA ASP A 404 -28.447 30.094 -10.797 1.00 63.73 H ATOM 42 HB2 ASP A 404 -30.298 31.992 -9.811 1.00 66.41 H ATOM 43 HB3 ASP A 404 -30.650 30.993 -10.996 1.00 66.41 H ATOM 44 N CYS A 405 -28.233 31.308 -12.907 1.00 47.47 N ANISOU 44 N CYS A 405 4891 6917 6230 -1762 148 768 N ATOM 45 CA CYS A 405 -28.164 32.078 -14.137 1.00 44.83 C ANISOU 45 CA CYS A 405 4426 6441 6167 -1870 94 680 C ATOM 46 C CYS A 405 -29.467 32.862 -14.279 1.00 50.46 C ANISOU 46 C CYS A 405 4970 7153 7049 -1936 217 736 C ATOM 47 O CYS A 405 -30.548 32.285 -14.197 1.00 45.65 O ANISOU 47 O CYS A 405 4330 6547 6467 -2019 302 926 O ATOM 48 CB CYS A 405 -27.965 31.152 -15.334 1.00 43.98 C ANISOU 48 CB CYS A 405 4400 6166 6146 -1996 -27 814 C ATOM 49 SG CYS A 405 -27.841 32.009 -16.915 1.00 44.02 S ANISOU 49 SG CYS A 405 4395 5965 6368 -1972 -56 688 S ATOM 50 H CYS A 405 -28.186 30.457 -13.018 1.00 56.97 H ATOM 51 HA CYS A 405 -27.424 32.703 -14.095 1.00 53.80 H ATOM 52 HB2 CYS A 405 -27.145 30.649 -15.205 1.00 52.78 H ATOM 53 HB3 CYS A 405 -28.718 30.543 -15.385 1.00 52.78 H ATOM 54 N LYS A 406 -29.368 34.175 -14.467 1.00 48.77 N ANISOU 54 N LYS A 406 4633 6916 6981 -1898 225 549 N ATOM 55 CA LYS A 406 -30.561 35.011 -14.573 1.00 49.39 C ANISOU 55 CA LYS A 406 4549 6986 7231 -1920 300 555 C ATOM 56 C LYS A 406 -31.115 35.022 -15.996 1.00 51.23 C ANISOU 56 C LYS A 406 4852 6976 7636 -1936 226 615 C ATOM 57 O LYS A 406 -32.158 35.619 -16.253 1.00 60.04 O ANISOU 57 O LYS A 406 5867 8054 8892 -1923 240 596 O ATOM 58 CB LYS A 406 -30.265 36.445 -14.116 1.00 47.25 C ANISOU 58 CB LYS A 406 4159 6748 7046 -1806 324 294 C ATOM 59 CG LYS A 406 -29.355 37.239 -15.041 1.00 55.17 C ANISOU 59 CG LYS A 406 5187 7550 8225 -1833 253 174 C ATOM 60 CD LYS A 406 -29.166 38.668 -14.541 1.00 61.95 C ANISOU 60 CD LYS A 406 5904 8399 9237 -1733 286 -91 C ATOM 61 CE LYS A 406 -28.282 39.475 -15.481 1.00 66.49 C ANISOU 61 CE LYS A 406 6512 8723 10029 -1796 276 -183 C ATOM 62 NZ LYS A 406 -28.071 40.873 -15.007 1.00 70.74 N ANISOU 62 NZ LYS A 406 6900 9197 10782 -1713 308 -453 N ATOM 63 H LYS A 406 -28.626 34.604 -14.536 1.00 58.52 H ATOM 64 HA LYS A 406 -31.247 34.651 -13.990 1.00 59.27 H ATOM 65 HB2 LYS A 406 -31.105 36.926 -14.047 1.00 56.70 H ATOM 66 HB3 LYS A 406 -29.839 36.410 -13.245 1.00 56.70 H ATOM 67 HG2 LYS A 406 -28.485 36.812 -15.079 1.00 66.20 H ATOM 68 HG3 LYS A 406 -29.750 37.276 -15.926 1.00 66.20 H ATOM 69 HD2 LYS A 406 -30.030 39.104 -14.486 1.00 74.34 H ATOM 70 HD3 LYS A 406 -28.744 38.648 -13.668 1.00 74.34 H ATOM 71 HE2 LYS A 406 -27.415 39.046 -15.547 1.00 79.79 H ATOM 72 HE3 LYS A 406 -28.701 39.514 -16.355 1.00 79.79 H ATOM 73 HZ1 LYS A 406 -27.551 41.313 -15.580 1.00 84.89 H ATOM 74 HZ2 LYS A 406 -28.852 41.294 -14.944 1.00 84.89 H ATOM 75 HZ3 LYS A 406 -27.680 40.867 -14.208 1.00 84.89 H ATOM 76 N TYR A 407 -30.419 34.354 -16.912 1.00 45.97 N ANISOU 76 N TYR A 407 4370 6177 6920 -1923 136 645 N ATOM 77 CA TYR A 407 -30.806 34.348 -18.319 1.00 51.10 C ANISOU 77 CA TYR A 407 5122 6657 7637 -1895 57 675 C ATOM 78 C TYR A 407 -31.541 33.069 -18.695 1.00 54.11 C ANISOU 78 C TYR A 407 5549 7014 7995 -1901 -1 791 C ATOM 79 O TYR A 407 -32.349 33.060 -19.625 1.00 53.10 O ANISOU 79 O TYR A 407 5413 6805 7959 -1890 -86 820 O ATOM 80 CB TYR A 407 -29.573 34.529 -19.202 1.00 49.79 C ANISOU 80 CB TYR A 407 5093 6385 7440 -1882 21 617 C ATOM 81 CG TYR A 407 -28.908 35.868 -19.003 1.00 49.80 C ANISOU 81 CG TYR A 407 5034 6350 7536 -1899 100 478 C ATOM 82 CD1 TYR A 407 -29.481 37.026 -19.510 1.00 48.73 C ANISOU 82 CD1 TYR A 407 4876 6112 7528 -1910 109 488 C ATOM 83 CD2 TYR A 407 -27.714 35.979 -18.302 1.00 50.57 C ANISOU 83 CD2 TYR A 407 5077 6504 7635 -1913 138 332 C ATOM 84 CE1 TYR A 407 -28.884 38.258 -19.329 1.00 47.90 C ANISOU 84 CE1 TYR A 407 4721 5941 7536 -1942 182 368 C ATOM 85 CE2 TYR A 407 -27.107 37.209 -18.117 1.00 48.60 C ANISOU 85 CE2 TYR A 407 4734 6203 7528 -1945 214 156 C ATOM 86 CZ TYR A 407 -27.699 38.344 -18.633 1.00 46.48 C ANISOU 86 CZ TYR A 407 4487 5842 7329 -1975 230 205 C ATOM 87 OH TYR A 407 -27.105 39.572 -18.457 1.00 56.92 O ANISOU 87 OH TYR A 407 5746 7060 8822 -1955 270 87 O ATOM 88 H TYR A 407 -29.714 33.893 -16.742 1.00 55.17 H ATOM 89 HA TYR A 407 -31.403 35.095 -18.483 1.00 61.32 H ATOM 90 HB2 TYR A 407 -28.927 33.838 -18.989 1.00 59.75 H ATOM 91 HB3 TYR A 407 -29.838 34.461 -20.133 1.00 59.75 H ATOM 92 HD1 TYR A 407 -30.282 36.971 -19.979 1.00 58.48 H ATOM 93 HD2 TYR A 407 -27.315 35.214 -17.954 1.00 60.69 H ATOM 94 HE1 TYR A 407 -29.280 39.024 -19.676 1.00 57.47 H ATOM 95 HE2 TYR A 407 -26.306 37.270 -17.647 1.00 58.32 H ATOM 96 HH TYR A 407 -26.393 39.487 -18.019 1.00 68.31 H ATOM 97 N TRP A 408 -31.249 31.992 -17.975 1.00 45.06 N ANISOU 97 N TRP A 408 4440 5933 6748 -1932 23 866 N ATOM 98 CA TRP A 408 -31.939 30.727 -18.180 1.00 41.77 C ANISOU 98 CA TRP A 408 4050 5468 6354 -1960 -7 970 C ATOM 99 C TRP A 408 -33.436 30.974 -18.046 1.00 41.91 C ANISOU 99 C TRP A 408 3905 5490 6528 -1991 71 962 C ATOM 100 O TRP A 408 -33.856 31.727 -17.170 1.00 52.52 O ANISOU 100 O TRP A 408 5118 6938 7898 -2012 200 933 O ATOM 101 CB TRP A 408 -31.472 29.701 -17.145 1.00 43.11 C ANISOU 101 CB TRP A 408 4278 5706 6397 -2021 41 1097 C ATOM 102 CG TRP A 408 -31.974 28.324 -17.412 1.00 42.52 C ANISOU 102 CG TRP A 408 4253 5529 6373 -2060 10 1203 C ATOM 103 CD1 TRP A 408 -31.352 27.350 -18.137 1.00 40.72 C ANISOU 103 CD1 TRP A 408 4138 5210 6125 -2045 -148 1223 C ATOM 104 CD2 TRP A 408 -33.217 27.766 -16.974 1.00 40.62 C ANISOU 104 CD2 TRP A 408 3925 5258 6251 -2134 151 1279 C ATOM 105 NE1 TRP A 408 -32.128 26.220 -18.173 1.00 44.09 N ANISOU 105 NE1 TRP A 408 4552 5538 6660 -2101 -132 1311 N ATOM 106 CE2 TRP A 408 -33.278 26.448 -17.465 1.00 41.70 C ANISOU 106 CE2 TRP A 408 4131 5261 6451 -2164 66 1343 C ATOM 107 CE3 TRP A 408 -34.280 28.250 -16.208 1.00 45.91 C ANISOU 107 CE3 TRP A 408 4445 6001 6999 -2189 357 1279 C ATOM 108 CZ2 TRP A 408 -34.362 25.610 -17.218 1.00 43.10 C ANISOU 108 CZ2 TRP A 408 4238 5351 6786 -2261 194 1402 C ATOM 109 CZ3 TRP A 408 -35.354 27.416 -15.960 1.00 44.20 C ANISOU 109 CZ3 TRP A 408 4160 5713 6922 -2288 502 1334 C ATOM 110 CH2 TRP A 408 -35.388 26.111 -16.465 1.00 49.19 C ANISOU 110 CH2 TRP A 408 4870 6189 7632 -2331 426 1393 C ATOM 111 H TRP A 408 -30.652 31.969 -17.357 1.00 54.07 H ATOM 112 HA TRP A 408 -31.752 30.388 -19.069 1.00 50.13 H ATOM 113 HB2 TRP A 408 -30.503 29.670 -17.148 1.00 51.74 H ATOM 114 HB3 TRP A 408 -31.791 29.970 -16.270 1.00 51.74 H ATOM 115 HD1 TRP A 408 -30.523 27.441 -18.550 1.00 48.87 H ATOM 116 HE1 TRP A 408 -31.925 25.487 -18.574 1.00 52.90 H ATOM 117 HE3 TRP A 408 -34.265 29.117 -15.870 1.00 55.10 H ATOM 118 HZ2 TRP A 408 -34.385 24.741 -17.549 1.00 51.71 H ATOM 119 HZ3 TRP A 408 -36.069 27.729 -15.454 1.00 53.04 H ATOM 120 HH2 TRP A 408 -36.124 25.572 -16.283 1.00 59.03 H ATOM 121 N PRO A 409 -34.257 30.348 -18.908 1.00 47.85 N ANISOU 121 N PRO A 409 4627 6149 7406 -2001 -17 965 N ATOM 122 CA PRO A 409 -33.962 29.350 -19.942 1.00 47.88 C ANISOU 122 CA PRO A 409 4733 6049 7410 -1981 -179 995 C ATOM 123 C PRO A 409 -33.540 29.955 -21.282 1.00 55.95 C ANISOU 123 C PRO A 409 5825 7014 8421 -1912 -354 959 C ATOM 124 O PRO A 409 -33.669 29.291 -22.312 1.00 51.82 O ANISOU 124 O PRO A 409 5326 6417 7947 -1897 -517 973 O ATOM 125 CB PRO A 409 -35.300 28.631 -20.092 1.00 47.76 C ANISOU 125 CB PRO A 409 4573 5981 7595 -2044 -173 985 C ATOM 126 CG PRO A 409 -36.303 29.710 -19.874 1.00 45.35 C ANISOU 126 CG PRO A 409 4082 5732 7416 -2055 -112 901 C ATOM 127 CD PRO A 409 -35.701 30.643 -18.847 1.00 48.03 C ANISOU 127 CD PRO A 409 4444 6183 7621 -2044 35 907 C ATOM 128 HA PRO A 409 -33.286 28.725 -19.635 1.00 57.46 H ATOM 129 HB2 PRO A 409 -35.379 28.259 -20.985 1.00 57.32 H ATOM 130 HB3 PRO A 409 -35.382 27.939 -19.417 1.00 57.32 H ATOM 131 HG2 PRO A 409 -36.461 30.179 -20.708 1.00 54.42 H ATOM 132 HG3 PRO A 409 -37.128 29.324 -19.540 1.00 54.42 H ATOM 133 HD2 PRO A 409 -35.867 31.566 -19.092 1.00 57.63 H ATOM 134 HD3 PRO A 409 -36.049 30.442 -17.964 1.00 57.63 H ATOM 135 N ASN A 410 -33.043 31.190 -21.262 1.00 56.59 N ANISOU 135 N ASN A 410 5931 7118 8451 -1885 -319 925 N ATOM 136 CA ASN A 410 -32.580 31.860 -22.476 1.00 49.30 C ANISOU 136 CA ASN A 410 5100 6117 7516 -1857 -441 940 C ATOM 137 C ASN A 410 -31.128 32.299 -22.358 1.00 50.16 C ANISOU 137 C ASN A 410 5334 6238 7487 -1851 -351 897 C ATOM 138 O ASN A 410 -30.771 33.417 -22.728 1.00 53.83 O ANISOU 138 O ASN A 410 5837 6645 7970 -1859 -316 887 O ATOM 139 CB ASN A 410 -33.471 33.065 -22.798 1.00 50.64 C ANISOU 139 CB ASN A 410 5164 6234 7842 -1855 -499 948 C ATOM 140 CG ASN A 410 -34.892 32.662 -23.137 1.00 59.11 C ANISOU 140 CG ASN A 410 6068 7277 9114 -1851 -640 939 C ATOM 141 OD1 ASN A 410 -35.849 33.132 -22.522 1.00 70.25 O ANISOU 141 OD1 ASN A 410 7295 8728 10670 -1855 -588 873 O ATOM 142 ND2 ASN A 410 -35.036 31.780 -24.118 1.00 50.97 N ANISOU 142 ND2 ASN A 410 5069 6180 8116 -1838 -827 968 N ATOM 143 H ASN A 410 -32.962 31.667 -20.550 1.00 67.90 H ATOM 144 HA ASN A 410 -32.642 31.239 -23.219 1.00 59.16 H ATOM 145 HB2 ASN A 410 -33.501 33.651 -22.026 1.00 60.77 H ATOM 146 HB3 ASN A 410 -33.102 33.537 -23.560 1.00 60.77 H ATOM 147 HD21 ASN A 410 -35.822 31.518 -24.349 1.00 61.16 H ATOM 148 HD22 ASN A 410 -34.343 31.470 -24.523 1.00 61.16 H ATOM 149 N CYS A 411 -30.296 31.406 -21.836 1.00 49.94 N ANISOU 149 N CYS A 411 5358 6262 7356 -1849 -319 870 N ATOM 150 CA CYS A 411 -28.876 31.672 -21.690 1.00 53.65 C ANISOU 150 CA CYS A 411 5895 6746 7742 -1850 -256 783 C ATOM 151 C CYS A 411 -28.153 31.396 -23.006 1.00 54.53 C ANISOU 151 C CYS A 411 6119 6795 7805 -1855 -331 786 C ATOM 152 O CYS A 411 -28.278 30.312 -23.573 1.00 53.82 O ANISOU 152 O CYS A 411 6066 6699 7685 -1850 -462 836 O ATOM 153 CB CYS A 411 -28.294 30.805 -20.577 1.00 51.56 C ANISOU 153 CB CYS A 411 5619 6567 7404 -1865 -250 769 C ATOM 154 SG CYS A 411 -26.555 31.136 -20.253 1.00 48.28 S ANISOU 154 SG CYS A 411 5212 6186 6945 -1881 -219 603 S ATOM 155 H CYS A 411 -30.535 30.629 -21.555 1.00 59.93 H ATOM 156 HA CYS A 411 -28.743 32.604 -21.456 1.00 64.37 H ATOM 157 HB2 CYS A 411 -28.787 30.971 -19.758 1.00 61.87 H ATOM 158 HB3 CYS A 411 -28.378 29.872 -20.829 1.00 61.87 H ATOM 159 N ALA A 412 -27.393 32.381 -23.477 1.00 52.66 N ANISOU 159 N ALA A 412 5928 6502 7578 -1881 -233 733 N ATOM 160 CA ALA A 412 -26.723 32.300 -24.774 1.00 52.64 C ANISOU 160 CA ALA A 412 6040 6438 7522 -1924 -253 761 C ATOM 161 C ALA A 412 -25.236 31.964 -24.652 1.00 50.20 C ANISOU 161 C ALA A 412 5727 6160 7187 -1946 -173 604 C ATOM 162 O ALA A 412 -24.533 31.874 -25.660 1.00 52.13 O ANISOU 162 O ALA A 412 6049 6371 7388 -2004 -148 600 O ATOM 163 CB ALA A 412 -26.896 33.608 -25.522 1.00 61.03 C ANISOU 163 CB ALA A 412 7187 7374 8630 -1973 -163 849 C ATOM 164 H ALA A 412 -27.246 33.118 -23.059 1.00 63.19 H ATOM 165 HA ALA A 412 -27.143 31.600 -25.299 1.00 63.17 H ATOM 166 HB1 ALA A 412 -26.449 33.543 -26.380 1.00 73.24 H ATOM 167 HB2 ALA A 412 -27.843 33.773 -25.654 1.00 73.24 H ATOM 168 HB3 ALA A 412 -26.506 34.325 -24.998 1.00 73.24 H ATOM 169 N ASN A 413 -24.759 31.788 -23.424 1.00 50.05 N ANISOU 169 N ASN A 413 5609 6208 7198 -1918 -148 477 N ATOM 170 CA ASN A 413 -23.356 31.469 -23.186 1.00 50.20 C ANISOU 170 CA ASN A 413 5578 6257 7239 -1936 -129 294 C ATOM 171 C ASN A 413 -23.196 29.971 -22.940 1.00 54.35 C ANISOU 171 C ASN A 413 6123 6861 7666 -1914 -317 295 C ATOM 172 O ASN A 413 -23.530 29.485 -21.861 1.00 58.83 O ANISOU 172 O ASN A 413 6665 7490 8198 -1898 -397 334 O ATOM 173 CB ASN A 413 -22.831 32.260 -21.987 1.00 43.73 C ANISOU 173 CB ASN A 413 4622 5455 6537 -1931 -54 141 C ATOM 174 CG ASN A 413 -21.337 32.082 -21.770 1.00 48.72 C ANISOU 174 CG ASN A 413 5166 6108 7238 -1941 -89 -72 C ATOM 175 OD1 ASN A 413 -20.709 31.188 -22.341 1.00 49.16 O ANISOU 175 OD1 ASN A 413 5256 6184 7236 -1948 -165 -132 O ATOM 176 ND2 ASN A 413 -20.761 32.932 -20.927 1.00 44.87 N ANISOU 176 ND2 ASN A 413 4572 5650 6828 -1946 -66 -208 N ATOM 177 H ASN A 413 -25.230 31.849 -22.707 1.00 60.06 H ATOM 178 HA ASN A 413 -22.832 31.710 -23.967 1.00 60.24 H ATOM 179 HB2 ASN A 413 -23.002 33.204 -22.133 1.00 52.47 H ATOM 180 HB3 ASN A 413 -23.289 31.960 -21.186 1.00 52.47 H ATOM 181 HD21 ASN A 413 -19.918 32.875 -20.768 1.00 53.85 H ATOM 182 HD22 ASN A 413 -21.231 33.538 -20.540 1.00 53.85 H ATOM 183 N PRO A 414 -22.685 29.228 -23.938 1.00 54.97 N ANISOU 183 N PRO A 414 6253 6933 7700 -1931 -392 267 N ATOM 184 CA PRO A 414 -22.558 27.777 -23.756 1.00 58.03 C ANISOU 184 CA PRO A 414 6663 7361 8026 -1899 -592 263 C ATOM 185 C PRO A 414 -21.602 27.380 -22.633 1.00 61.08 C ANISOU 185 C PRO A 414 6987 7806 8416 -1883 -666 93 C ATOM 186 O PRO A 414 -21.666 26.244 -22.162 1.00 68.24 O ANISOU 186 O PRO A 414 7937 8724 9268 -1860 -846 141 O ATOM 187 CB PRO A 414 -22.025 27.291 -25.111 1.00 59.38 C ANISOU 187 CB PRO A 414 6874 7522 8167 -1925 -646 205 C ATOM 188 CG PRO A 414 -21.436 28.495 -25.756 1.00 63.13 C ANISOU 188 CG PRO A 414 7337 7970 8679 -2008 -436 140 C ATOM 189 CD PRO A 414 -22.251 29.651 -25.282 1.00 60.37 C ANISOU 189 CD PRO A 414 6989 7569 8379 -2000 -304 259 C ATOM 190 HA PRO A 414 -23.428 27.380 -23.592 1.00 69.64 H ATOM 191 HB2 PRO A 414 -21.347 26.612 -24.970 1.00 71.26 H ATOM 192 HB3 PRO A 414 -22.757 26.941 -25.642 1.00 71.26 H ATOM 193 HG2 PRO A 414 -20.512 28.593 -25.480 1.00 75.76 H ATOM 194 HG3 PRO A 414 -21.496 28.408 -26.721 1.00 75.76 H ATOM 195 HD2 PRO A 414 -21.704 30.450 -25.226 1.00 72.44 H ATOM 196 HD3 PRO A 414 -23.019 29.784 -25.860 1.00 72.44 H ATOM 197 N LEU A 415 -20.736 28.298 -22.214 1.00 56.20 N ANISOU 197 N LEU A 415 6267 7206 7880 -1894 -557 -105 N ATOM 198 CA LEU A 415 -19.792 28.026 -21.133 1.00 54.35 C ANISOU 198 CA LEU A 415 5954 7046 7651 -1860 -685 -328 C ATOM 199 C LEU A 415 -20.182 28.763 -19.859 1.00 51.04 C ANISOU 199 C LEU A 415 5480 6700 7214 -1883 -658 -314 C ATOM 200 O LEU A 415 -19.338 29.006 -18.999 1.00 51.28 O ANISOU 200 O LEU A 415 5415 6816 7252 -1843 -728 -579 O ATOM 201 CB LEU A 415 -18.375 28.436 -21.542 1.00 56.71 C ANISOU 201 CB LEU A 415 6158 7318 8069 -1835 -653 -595 C ATOM 202 CG LEU A 415 -17.830 27.832 -22.839 1.00 62.46 C ANISOU 202 CG LEU A 415 6921 8011 8800 -1842 -664 -631 C ATOM 203 CD1 LEU A 415 -16.380 28.242 -23.028 1.00 60.66 C ANISOU 203 CD1 LEU A 415 6615 7824 8607 -1837 -565 -903 C ATOM 204 CD2 LEU A 415 -17.965 26.314 -22.847 1.00 62.85 C ANISOU 204 CD2 LEU A 415 7026 8080 8773 -1759 -896 -650 C ATOM 205 H LEU A 415 -20.675 29.091 -22.540 1.00 67.44 H ATOM 206 HA LEU A 415 -19.789 27.075 -20.944 1.00 65.22 H ATOM 207 HB2 LEU A 415 -18.357 29.401 -21.646 1.00 68.05 H ATOM 208 HB3 LEU A 415 -17.768 28.180 -20.830 1.00 68.05 H ATOM 209 HG LEU A 415 -18.340 28.181 -23.587 1.00 74.95 H ATOM 210 HD11 LEU A 415 -16.048 27.854 -23.853 1.00 72.79 H ATOM 211 HD12 LEU A 415 -16.330 29.210 -23.075 1.00 72.79 H ATOM 212 HD13 LEU A 415 -15.860 27.919 -22.276 1.00 72.79 H ATOM 213 HD21 LEU A 415 -17.610 25.971 -23.682 1.00 75.42 H ATOM 214 HD22 LEU A 415 -17.465 25.950 -22.100 1.00 75.42 H ATOM 215 HD23 LEU A 415 -18.903 26.081 -22.764 1.00 75.42 H ATOM 216 N CYS A 416 -21.458 29.120 -19.744 1.00 52.23 N ANISOU 216 N CYS A 416 5675 6834 7335 -1920 -567 -52 N ATOM 217 CA CYS A 416 -21.952 29.817 -18.564 1.00 53.04 C ANISOU 217 CA CYS A 416 5706 7033 7413 -1954 -529 -25 C ATOM 218 C CYS A 416 -21.635 29.009 -17.315 1.00 51.48 C ANISOU 218 C CYS A 416 5579 6946 7036 -1817 -695 -78 C ATOM 219 O CYS A 416 -21.868 27.802 -17.277 1.00 51.24 O ANISOU 219 O CYS A 416 5685 6886 6897 -1796 -828 90 O ATOM 220 CB CYS A 416 -23.461 30.041 -18.661 1.00 53.49 C ANISOU 220 CB CYS A 416 5810 7046 7469 -1963 -426 261 C ATOM 221 SG CYS A 416 -24.122 31.042 -17.317 1.00 52.14 S ANISOU 221 SG CYS A 416 5517 7008 7283 -1980 -330 269 S ATOM 222 H CYS A 416 -22.059 28.968 -20.340 1.00 62.67 H ATOM 223 HA CYS A 416 -21.516 30.681 -18.491 1.00 63.65 H ATOM 224 HB2 CYS A 416 -23.658 30.495 -19.495 1.00 64.19 H ATOM 225 HB3 CYS A 416 -23.909 29.181 -18.640 1.00 64.19 H ATOM 226 N ALA A 417 -21.101 29.682 -16.301 1.00 52.62 N ANISOU 226 N ALA A 417 5653 7191 7147 -1674 -687 -324 N ATOM 227 CA ALA A 417 -20.681 29.022 -15.070 1.00 54.27 C ANISOU 227 CA ALA A 417 5979 7509 7132 -1442 -856 -420 C ATOM 228 C ALA A 417 -21.725 29.164 -13.968 1.00 55.42 C ANISOU 228 C ALA A 417 6216 7754 7086 -1360 -765 -206 C ATOM 229 O ALA A 417 -21.583 28.587 -12.892 1.00 57.33 O ANISOU 229 O ALA A 417 6625 8088 7070 -1152 -871 -201 O ATOM 230 CB ALA A 417 -19.357 29.586 -14.606 1.00 53.98 C ANISOU 230 CB ALA A 417 5805 7542 7162 -1280 -949 -895 C ATOM 231 H ALA A 417 -20.969 30.532 -16.302 1.00 63.14 H ATOM 232 HA ALA A 417 -20.558 28.075 -15.246 1.00 65.12 H ATOM 233 HB1 ALA A 417 -19.092 29.138 -13.788 1.00 64.78 H ATOM 234 HB2 ALA A 417 -18.691 29.438 -15.296 1.00 64.78 H ATOM 235 HB3 ALA A 417 -19.459 30.537 -14.444 1.00 64.78 H ATOM 236 N PHE A 418 -22.768 29.942 -14.230 1.00 52.57 N ANISOU 236 N PHE A 418 5758 7378 6836 -1504 -568 -39 N ATOM 237 CA PHE A 418 -23.845 30.098 -13.265 1.00 48.29 C ANISOU 237 CA PHE A 418 5263 6943 6142 -1452 -441 151 C ATOM 238 C PHE A 418 -24.755 28.875 -13.325 1.00 51.32 C ANISOU 238 C PHE A 418 5811 7259 6428 -1544 -415 532 C ATOM 239 O PHE A 418 -24.747 28.130 -14.304 1.00 57.45 O ANISOU 239 O PHE A 418 6617 7890 7321 -1676 -494 648 O ATOM 240 CB PHE A 418 -24.621 31.393 -13.527 1.00 41.94 C ANISOU 240 CB PHE A 418 4265 6137 5531 -1556 -264 140 C ATOM 241 CG PHE A 418 -23.837 32.639 -13.198 1.00 44.78 C ANISOU 241 CG PHE A 418 4462 6547 6004 -1452 -263 -232 C ATOM 242 CD1 PHE A 418 -22.854 33.101 -14.058 1.00 44.46 C ANISOU 242 CD1 PHE A 418 4316 6385 6194 -1528 -293 -457 C ATOM 243 CD2 PHE A 418 -24.079 33.340 -12.029 1.00 51.12 C ANISOU 243 CD2 PHE A 418 5207 7514 6702 -1281 -216 -375 C ATOM 244 CE1 PHE A 418 -22.128 34.240 -13.759 1.00 52.22 C ANISOU 244 CE1 PHE A 418 5118 7370 7352 -1459 -269 -818 C ATOM 245 CE2 PHE A 418 -23.358 34.481 -11.723 1.00 58.14 C ANISOU 245 CE2 PHE A 418 5916 8427 7749 -1181 -237 -758 C ATOM 246 CZ PHE A 418 -22.379 34.931 -12.591 1.00 53.11 C ANISOU 246 CZ PHE A 418 5155 7629 7394 -1282 -261 -981 C ATOM 247 H PHE A 418 -22.875 30.388 -14.957 1.00 63.08 H ATOM 248 HA PHE A 418 -23.467 30.148 -12.373 1.00 57.95 H ATOM 249 HB2 PHE A 418 -24.860 31.431 -14.466 1.00 50.32 H ATOM 250 HB3 PHE A 418 -25.423 31.394 -12.982 1.00 50.32 H ATOM 251 HD1 PHE A 418 -22.680 32.639 -14.846 1.00 53.36 H ATOM 252 HD2 PHE A 418 -24.735 33.041 -11.441 1.00 61.34 H ATOM 253 HE1 PHE A 418 -21.472 34.540 -14.346 1.00 62.66 H ATOM 254 HE2 PHE A 418 -23.530 34.943 -10.935 1.00 69.77 H ATOM 255 HZ PHE A 418 -21.893 35.698 -12.389 1.00 63.73 H ATOM 256 N ARG A 419 -25.531 28.671 -12.269 1.00 49.91 N ANISOU 256 N ARG A 419 5733 7180 6050 -1473 -289 710 N ATOM 257 CA ARG A 419 -26.336 27.464 -12.128 1.00 51.01 C ANISOU 257 CA ARG A 419 6038 7232 6110 -1561 -221 1067 C ATOM 258 C ARG A 419 -27.497 27.426 -13.119 1.00 50.20 C ANISOU 258 C ARG A 419 5776 7000 6299 -1824 -106 1262 C ATOM 259 O ARG A 419 -28.312 28.348 -13.168 1.00 53.75 O ANISOU 259 O ARG A 419 6042 7508 6873 -1891 44 1244 O ATOM 260 CB ARG A 419 -26.874 27.376 -10.700 1.00 53.41 C ANISOU 260 CB ARG A 419 6494 7688 6112 -1422 -45 1204 C ATOM 261 CG ARG A 419 -27.309 25.990 -10.271 1.00 63.38 C ANISOU 261 CG ARG A 419 8024 8840 7218 -1452 25 1558 C ATOM 262 CD ARG A 419 -27.952 26.044 -8.897 1.00 80.56 C ANISOU 262 CD ARG A 419 10354 11179 9075 -1331 282 1718 C ATOM 263 NE ARG A 419 -27.982 24.741 -8.241 1.00 96.11 N ANISOU 263 NE ARG A 419 12689 13041 10788 -1269 330 2034 N ATOM 264 CZ ARG A 419 -28.472 24.531 -7.022 1.00101.28 C ANISOU 264 CZ ARG A 419 13581 13807 11094 -1151 582 2247 C ATOM 265 NH1 ARG A 419 -28.978 25.539 -6.323 1.00105.63 N ANISOU 265 NH1 ARG A 419 14007 14611 11515 -1074 795 2141 N ATOM 266 NH2 ARG A 419 -28.457 23.311 -6.502 1.00 99.38 N ANISOU 266 NH2 ARG A 419 13719 13414 10625 -1100 631 2570 N ATOM 267 H ARG A 419 -25.610 29.221 -11.613 1.00 59.89 H ATOM 268 HA ARG A 419 -25.777 26.688 -12.289 1.00 61.21 H ATOM 269 HB2 ARG A 419 -26.179 27.668 -10.089 1.00 64.09 H ATOM 270 HB3 ARG A 419 -27.643 27.963 -10.623 1.00 64.09 H ATOM 271 HG2 ARG A 419 -27.960 25.644 -10.902 1.00 76.06 H ATOM 272 HG3 ARG A 419 -26.536 25.406 -10.226 1.00 76.06 H ATOM 273 HD2 ARG A 419 -27.446 26.652 -8.335 1.00 96.67 H ATOM 274 HD3 ARG A 419 -28.866 26.357 -8.987 1.00 96.67 H ATOM 275 HE ARG A 419 -27.629 24.074 -8.653 1.00115.34 H ATOM 276 HH11 ARG A 419 -28.989 26.331 -6.657 1.00126.75 H ATOM 277 HH12 ARG A 419 -29.295 25.399 -5.535 1.00126.75 H ATOM 278 HH21 ARG A 419 -28.130 22.655 -6.952 1.00119.25 H ATOM 279 HH22 ARG A 419 -28.775 23.176 -5.714 1.00119.25 H ATOM 280 N HIS A 420 -27.553 26.362 -13.916 1.00 50.87 N ANISOU 280 N HIS A 420 5904 6314 7108 -1697 -1188 38 N ATOM 281 CA HIS A 420 -28.708 26.080 -14.763 1.00 50.36 C ANISOU 281 CA HIS A 420 5962 6297 6875 -1602 -980 56 C ATOM 282 C HIS A 420 -29.407 24.836 -14.229 1.00 57.95 C ANISOU 282 C HIS A 420 7009 7291 7717 -1484 -1044 49 C ATOM 283 O HIS A 420 -28.737 23.857 -13.896 1.00 57.74 O ANISOU 283 O HIS A 420 6856 7276 7806 -1439 -1152 57 O ATOM 284 CB HIS A 420 -28.280 25.809 -16.206 1.00 50.58 C ANISOU 284 CB HIS A 420 5815 6392 7012 -1574 -758 82 C ATOM 285 CG HIS A 420 -27.621 26.973 -16.877 1.00 59.04 C ANISOU 285 CG HIS A 420 6802 7431 8199 -1697 -640 124 C ATOM 286 ND1 HIS A 420 -27.429 27.030 -18.241 1.00 67.02 N ANISOU 286 ND1 HIS A 420 7725 8507 9233 -1683 -394 169 N ATOM 287 CD2 HIS A 420 -27.106 28.120 -16.377 1.00 62.74 C ANISOU 287 CD2 HIS A 420 7269 7800 8771 -1842 -728 131 C ATOM 288 CE1 HIS A 420 -26.826 28.162 -18.551 1.00 71.31 C ANISOU 288 CE1 HIS A 420 8216 8990 9890 -1821 -318 228 C ATOM 289 NE2 HIS A 420 -26.617 28.841 -17.438 1.00 67.34 N ANISOU 289 NE2 HIS A 420 7755 8374 9458 -1924 -524 200 N ATOM 290 H HIS A 420 -26.925 25.779 -13.985 1.00 61.04 H ATOM 291 HA HIS A 420 -29.327 26.827 -14.747 1.00 60.43 H ATOM 292 HB2 HIS A 420 -27.651 25.070 -16.210 1.00 60.69 H ATOM 293 HB3 HIS A 420 -29.065 25.574 -16.724 1.00 60.69 H ATOM 294 HD1 HIS A 420 -27.666 26.422 -18.802 1.00 80.42 H ATOM 295 HD2 HIS A 420 -27.086 28.371 -15.482 1.00 75.29 H ATOM 296 HE1 HIS A 420 -26.588 28.435 -19.408 1.00 85.58 H ATOM 297 N PRO A 421 -30.751 24.862 -14.140 1.00 53.11 N ANISOU 297 N PRO A 421 6600 6684 6896 -1434 -977 39 N ATOM 298 CA PRO A 421 -31.477 23.638 -13.778 1.00 54.35 C ANISOU 298 CA PRO A 421 6821 6863 6966 -1339 -993 45 C ATOM 299 C PRO A 421 -31.117 22.485 -14.704 1.00 55.08 C ANISOU 299 C PRO A 421 6742 6993 7193 -1259 -908 42 C ATOM 300 O PRO A 421 -30.836 22.708 -15.882 1.00 58.56 O ANISOU 300 O PRO A 421 7075 7478 7698 -1253 -759 23 O ATOM 301 CB PRO A 421 -32.944 24.032 -13.970 1.00 47.26 C ANISOU 301 CB PRO A 421 6098 5978 5880 -1309 -871 23 C ATOM 302 CG PRO A 421 -32.967 25.497 -13.746 1.00 55.71 C ANISOU 302 CG PRO A 421 7265 7003 6900 -1384 -884 6 C ATOM 303 CD PRO A 421 -31.655 26.020 -14.262 1.00 49.98 C ANISOU 303 CD PRO A 421 6374 6257 6359 -1462 -896 24 C ATOM 304 HA PRO A 421 -31.313 23.393 -12.854 1.00 65.22 H ATOM 305 HB2 PRO A 421 -33.227 23.816 -14.872 1.00 56.71 H ATOM 306 HB3 PRO A 421 -33.495 23.574 -13.316 1.00 56.71 H ATOM 307 HG2 PRO A 421 -33.706 25.888 -14.237 1.00 66.86 H ATOM 308 HG3 PRO A 421 -33.056 25.678 -12.797 1.00 66.86 H ATOM 309 HD2 PRO A 421 -31.740 26.286 -15.190 1.00 59.98 H ATOM 310 HD3 PRO A 421 -31.343 26.752 -13.708 1.00 59.98 H ATOM 311 N THR A 422 -31.122 21.267 -14.176 1.00 54.86 N ANISOU 311 N THR A 422 6702 6941 7200 -1195 -995 61 N ATOM 312 CA THR A 422 -30.768 20.097 -14.968 1.00 52.21 C ANISOU 312 CA THR A 422 6211 6611 7015 -1107 -929 36 C ATOM 313 C THR A 422 -31.803 19.846 -16.058 1.00 51.00 C ANISOU 313 C THR A 422 6100 6501 6775 -1056 -742 -26 C ATOM 314 O THR A 422 -31.457 19.652 -17.222 1.00 54.32 O ANISOU 314 O THR A 422 6400 6972 7268 -1012 -615 -83 O ATOM 315 CB THR A 422 -30.656 18.839 -14.086 1.00 58.77 C ANISOU 315 CB THR A 422 7052 7367 7910 -1045 -1077 85 C ATOM 316 OG1 THR A 422 -29.824 19.117 -12.954 1.00 63.39 O ANISOU 316 OG1 THR A 422 7635 7924 8525 -1085 -1293 147 O ATOM 317 CG2 THR A 422 -30.068 17.675 -14.876 1.00 59.82 C ANISOU 317 CG2 THR A 422 7000 7476 8253 -945 -1029 41 C ATOM 318 H THR A 422 -31.328 21.092 -13.359 1.00 65.83 H ATOM 319 HA THR A 422 -29.909 20.247 -15.393 1.00 62.65 H ATOM 320 HB THR A 422 -31.540 18.583 -13.779 1.00 70.52 H ATOM 321 HG1 THR A 422 -29.760 18.434 -12.470 1.00 76.06 H ATOM 322 HG21 THR A 422 -30.003 16.890 -14.310 1.00 71.79 H ATOM 323 HG22 THR A 422 -30.636 17.470 -15.636 1.00 71.79 H ATOM 324 HG23 THR A 422 -29.183 17.907 -15.197 1.00 71.79 H ATOM 325 N MET A 423 -33.077 19.855 -15.677 1.00 48.85 N ANISOU 325 N MET A 423 5998 6219 6346 -1058 -727 -22 N ATOM 326 CA MET A 423 -34.155 19.529 -16.604 1.00 47.06 C ANISOU 326 CA MET A 423 5800 6030 6052 -1009 -593 -91 C ATOM 327 C MET A 423 -34.536 20.718 -17.474 1.00 46.33 C ANISOU 327 C MET A 423 5748 6013 5844 -1024 -484 -116 C ATOM 328 O MET A 423 -34.624 21.841 -16.977 1.00 45.45 O ANISOU 328 O MET A 423 5725 5891 5652 -1083 -511 -74 O ATOM 329 CB MET A 423 -35.383 19.058 -15.829 1.00 43.77 C ANISOU 329 CB MET A 423 5514 5570 5547 -1013 -614 -75 C ATOM 330 CG MET A 423 -35.151 17.767 -15.078 1.00 46.20 C ANISOU 330 CG MET A 423 5808 5784 5963 -993 -703 -24 C ATOM 331 SD MET A 423 -34.770 16.424 -16.214 1.00 51.23 S ANISOU 331 SD MET A 423 6283 6382 6800 -903 -653 -118 S ATOM 332 CE MET A 423 -36.389 16.124 -16.914 1.00 48.87 C ANISOU 332 CE MET A 423 6038 6105 6425 -897 -540 -217 C ATOM 333 H MET A 423 -33.344 20.048 -14.882 1.00 58.62 H ATOM 334 HA MET A 423 -33.866 18.801 -17.177 1.00 56.48 H ATOM 335 HB2 MET A 423 -35.629 19.739 -15.184 1.00 52.53 H ATOM 336 HB3 MET A 423 -36.113 18.914 -16.452 1.00 52.53 H ATOM 337 HG2 MET A 423 -34.401 17.878 -14.472 1.00 55.44 H ATOM 338 HG3 MET A 423 -35.952 17.533 -14.585 1.00 55.44 H ATOM 339 HE1 MET A 423 -36.325 15.403 -17.560 1.00 58.64 H ATOM 340 HE2 MET A 423 -37.000 15.877 -16.202 1.00 58.64 H ATOM 341 HE3 MET A 423 -36.699 16.933 -17.351 1.00 58.64 H ATOM 342 N PRO A 424 -34.783 20.476 -18.773 1.00 43.87 N ANISOU 342 N PRO A 424 5386 5769 5514 -963 -369 -187 N ATOM 343 CA PRO A 424 -35.187 21.590 -19.636 1.00 44.81 C ANISOU 343 CA PRO A 424 5567 5957 5500 -962 -276 -183 C ATOM 344 C PRO A 424 -36.495 22.198 -19.146 1.00 45.22 C ANISOU 344 C PRO A 424 5763 5995 5425 -967 -304 -175 C ATOM 345 O PRO A 424 -37.230 21.540 -18.412 1.00 44.26 O ANISOU 345 O PRO A 424 5672 5836 5308 -963 -352 -196 O ATOM 346 CB PRO A 424 -35.404 20.933 -21.007 1.00 43.54 C ANISOU 346 CB PRO A 424 5355 5881 5306 -875 -178 -277 C ATOM 347 CG PRO A 424 -34.857 19.553 -20.902 1.00 47.06 C ANISOU 347 CG PRO A 424 5685 6288 5909 -837 -203 -342 C ATOM 348 CD PRO A 424 -34.885 19.178 -19.464 1.00 45.46 C ANISOU 348 CD PRO A 424 5506 5976 5790 -884 -332 -280 C ATOM 349 HA PRO A 424 -34.495 22.268 -19.689 1.00 53.77 H ATOM 350 HB2 PRO A 424 -36.353 20.907 -21.207 1.00 52.24 H ATOM 351 HB3 PRO A 424 -34.928 21.436 -21.686 1.00 52.24 H ATOM 352 HG2 PRO A 424 -35.411 18.948 -21.418 1.00 56.48 H ATOM 353 HG3 PRO A 424 -33.946 19.543 -21.235 1.00 56.48 H ATOM 354 HD2 PRO A 424 -35.723 18.743 -19.244 1.00 54.55 H ATOM 355 HD3 PRO A 424 -34.124 18.618 -19.246 1.00 54.55 H ATOM 356 N PRO A 425 -36.788 23.439 -19.549 1.00 49.36 N ANISOU 356 N PRO A 425 6367 6538 5850 -972 -262 -140 N ATOM 357 CA PRO A 425 -38.038 24.081 -19.130 1.00 47.28 C ANISOU 357 CA PRO A 425 6220 6256 5488 -954 -282 -146 C ATOM 358 C PRO A 425 -39.243 23.390 -19.755 1.00 43.41 C ANISOU 358 C PRO A 425 5715 5829 4950 -871 -263 -229 C ATOM 359 O PRO A 425 -39.149 22.925 -20.889 1.00 40.63 O ANISOU 359 O PRO A 425 5309 5549 4579 -818 -224 -276 O ATOM 360 CB PRO A 425 -37.890 25.507 -19.665 1.00 47.17 C ANISOU 360 CB PRO A 425 6280 6230 5412 -961 -242 -82 C ATOM 361 CG PRO A 425 -36.981 25.373 -20.837 1.00 51.67 C ANISOU 361 CG PRO A 425 6774 6864 5996 -956 -158 -55 C ATOM 362 CD PRO A 425 -36.020 24.277 -20.486 1.00 49.96 C ANISOU 362 CD PRO A 425 6425 6647 5910 -988 -178 -86 C ATOM 363 HA PRO A 425 -38.119 24.092 -18.163 1.00 56.74 H ATOM 364 HB2 PRO A 425 -38.757 25.847 -19.938 1.00 56.60 H ATOM 365 HB3 PRO A 425 -37.495 26.074 -18.985 1.00 56.60 H ATOM 366 HG2 PRO A 425 -37.497 25.135 -21.624 1.00 62.01 H ATOM 367 HG3 PRO A 425 -36.508 26.208 -20.979 1.00 62.01 H ATOM 368 HD2 PRO A 425 -35.782 23.769 -21.278 1.00 59.95 H ATOM 369 HD3 PRO A 425 -35.235 24.642 -20.048 1.00 59.95 H ATOM 370 N CYS A 426 -40.354 23.307 -19.029 1.00 38.58 N ANISOU 370 N CYS A 426 5141 5195 4322 -863 -286 -258 N ATOM 371 CA CYS A 426 -41.557 22.687 -19.571 1.00 35.63 C ANISOU 371 CA CYS A 426 4721 4874 3941 -801 -281 -348 C ATOM 372 C CYS A 426 -42.220 23.603 -20.589 1.00 35.91 C ANISOU 372 C CYS A 426 4794 4976 3874 -715 -278 -361 C ATOM 373 O CYS A 426 -42.533 24.753 -20.279 1.00 35.99 O ANISOU 373 O CYS A 426 4885 4953 3835 -700 -278 -311 O ATOM 374 CB CYS A 426 -42.553 22.361 -18.458 1.00 32.52 C ANISOU 374 CB CYS A 426 4333 4441 3582 -828 -280 -366 C ATOM 375 SG CYS A 426 -44.009 21.487 -19.072 1.00 37.53 S ANISOU 375 SG CYS A 426 4858 5127 4275 -781 -279 -487 S ATOM 376 H CYS A 426 -40.436 23.600 -18.225 1.00 46.29 H ATOM 377 HA CYS A 426 -41.317 21.859 -20.017 1.00 42.75 H ATOM 378 HB2 CYS A 426 -42.119 21.798 -17.799 1.00 39.03 H ATOM 379 HB3 CYS A 426 -42.850 23.188 -18.047 1.00 39.03 H ATOM 380 N ARG A 427 -42.445 23.086 -21.796 1.00 32.70 N ANISOU 380 N ARG A 427 4339 4656 3431 -650 -287 -433 N ATOM 381 CA ARG A 427 -43.050 23.865 -22.871 1.00 33.80 C ANISOU 381 CA ARG A 427 4526 4872 3443 -551 -311 -434 C ATOM 382 C ARG A 427 -44.574 23.949 -22.747 1.00 39.68 C ANISOU 382 C ARG A 427 5234 5637 4206 -488 -374 -507 C ATOM 383 O ARG A 427 -45.231 24.531 -23.610 1.00 36.64 O ANISOU 383 O ARG A 427 4877 5318 3728 -386 -429 -516 O ATOM 384 CB ARG A 427 -42.693 23.275 -24.237 1.00 41.69 C ANISOU 384 CB ARG A 427 5506 5978 4356 -495 -306 -498 C ATOM 385 CG ARG A 427 -41.229 23.387 -24.640 1.00 50.91 C ANISOU 385 CG ARG A 427 6696 7155 5492 -533 -213 -424 C ATOM 386 CD ARG A 427 -41.097 23.191 -26.152 1.00 56.92 C ANISOU 386 CD ARG A 427 7485 8052 6089 -445 -186 -475 C ATOM 387 NE ARG A 427 -39.804 22.648 -26.564 1.00 64.02 N ANISOU 387 NE ARG A 427 8339 8982 7005 -473 -76 -485 N ATOM 388 CZ ARG A 427 -38.711 23.378 -26.773 1.00 66.21 C ANISOU 388 CZ ARG A 427 8645 9261 7252 -516 41 -355 C ATOM 389 NH1 ARG A 427 -38.735 24.693 -26.596 1.00 67.17 N ANISOU 389 NH1 ARG A 427 8862 9332 7327 -545 53 -198 N ATOM 390 NH2 ARG A 427 -37.586 22.789 -27.152 1.00 64.50 N ANISOU 390 NH2 ARG A 427 8349 9082 7076 -531 152 -386 N ATOM 391 H ARG A 427 -42.253 22.278 -22.018 1.00 39.24 H ATOM 392 HA ARG A 427 -42.700 24.769 -22.836 1.00 40.56 H ATOM 393 HB2 ARG A 427 -42.922 22.333 -24.234 1.00 50.03 H ATOM 394 HB3 ARG A 427 -43.216 23.732 -24.915 1.00 50.03 H ATOM 395 HG2 ARG A 427 -40.895 24.269 -24.411 1.00 61.09 H ATOM 396 HG3 ARG A 427 -40.714 22.699 -24.191 1.00 61.09 H ATOM 397 HD2 ARG A 427 -41.785 22.575 -26.449 1.00 68.30 H ATOM 398 HD3 ARG A 427 -41.212 24.048 -26.590 1.00 68.30 H ATOM 399 HE ARG A 427 -39.745 21.798 -26.680 1.00 76.83 H ATOM 400 HH11 ARG A 427 -39.462 25.081 -26.351 1.00 80.60 H ATOM 401 HH12 ARG A 427 -38.024 25.158 -26.730 1.00 80.60 H ATOM 402 HH21 ARG A 427 -37.564 21.937 -27.265 1.00 77.40 H ATOM 403 HH22 ARG A 427 -36.878 23.259 -27.282 1.00 77.40 H ATOM 404 N ASN A 428 -45.137 23.360 -21.692 1.00 36.81 N ANISOU 404 N ASN A 428 4802 5221 3964 -545 -363 -552 N ATOM 405 CA ASN A 428 -46.553 23.566 -21.370 1.00 37.61 C ANISOU 405 CA ASN A 428 4842 5333 4114 -499 -387 -611 C ATOM 406 C ASN A 428 -46.750 24.839 -20.555 1.00 38.03 C ANISOU 406 C ASN A 428 4984 5325 4142 -480 -351 -535 C ATOM 407 O ASN A 428 -47.882 25.241 -20.281 1.00 40.24 O ANISOU 407 O ASN A 428 5215 5612 4463 -419 -354 -581 O ATOM 408 CB ASN A 428 -47.123 22.388 -20.575 1.00 37.65 C ANISOU 408 CB ASN A 428 4733 5307 4267 -580 -354 -681 C ATOM 409 CG ASN A 428 -47.213 21.109 -21.389 1.00 46.83 C ANISOU 409 CG ASN A 428 5792 6503 5500 -591 -407 -795 C ATOM 410 OD1 ASN A 428 -47.319 21.143 -22.610 1.00 49.76 O ANISOU 410 OD1 ASN A 428 6152 6958 5796 -510 -487 -866 O ATOM 411 ND2 ASN A 428 -47.181 19.969 -20.705 1.00 48.24 N ANISOU 411 ND2 ASN A 428 5908 6606 5816 -689 -366 -814 N ATOM 412 H ASN A 428 -44.723 22.838 -21.148 1.00 44.18 H ATOM 413 HA ASN A 428 -47.059 23.651 -22.193 1.00 45.13 H ATOM 414 HB2 ASN A 428 -46.550 22.216 -19.811 1.00 45.19 H ATOM 415 HB3 ASN A 428 -48.017 22.614 -20.274 1.00 45.19 H ATOM 416 HD21 ASN A 428 -47.229 19.217 -21.120 1.00 57.89 H ATOM 417 HD22 ASN A 428 -47.114 19.984 -19.848 1.00 57.89 H ATOM 418 N GLY A 429 -45.643 25.462 -20.159 1.00 33.20 N ANISOU 418 N GLY A 429 4488 4647 3481 -531 -318 -437 N ATOM 419 CA GLY A 429 -45.683 26.635 -19.300 1.00 33.87 C ANISOU 419 CA GLY A 429 4673 4646 3548 -528 -290 -388 C ATOM 420 C GLY A 429 -45.495 26.274 -17.835 1.00 34.20 C ANISOU 420 C GLY A 429 4736 4634 3624 -625 -236 -393 C ATOM 421 O GLY A 429 -45.555 25.103 -17.459 1.00 34.32 O ANISOU 421 O GLY A 429 4678 4671 3689 -686 -215 -418 O ATOM 422 H GLY A 429 -44.848 25.219 -20.378 1.00 39.84 H ATOM 423 HA2 GLY A 429 -44.980 27.251 -19.559 1.00 40.64 H ATOM 424 HA3 GLY A 429 -46.538 27.081 -19.401 1.00 40.64 H ATOM 425 N GLY A 430 -45.273 27.286 -17.003 1.00 33.61 N ANISOU 425 N GLY A 430 4777 4479 3514 -638 -219 -368 N ATOM 426 CA GLY A 430 -45.124 27.078 -15.575 1.00 33.11 C ANISOU 426 CA GLY A 430 4771 4378 3431 -715 -178 -377 C ATOM 427 C GLY A 430 -46.394 26.531 -14.952 1.00 40.85 C ANISOU 427 C GLY A 430 5680 5405 4436 -693 -93 -443 C ATOM 428 O GLY A 430 -46.346 25.877 -13.909 1.00 36.10 O ANISOU 428 O GLY A 430 5104 4804 3809 -768 -41 -431 O ATOM 429 H GLY A 430 -45.204 28.108 -17.246 1.00 40.33 H ATOM 430 HA2 GLY A 430 -44.403 26.450 -15.411 1.00 39.73 H ATOM 431 HA3 GLY A 430 -44.905 27.920 -15.144 1.00 39.73 H ATOM 432 N GLU A 431 -47.532 26.785 -15.596 1.00 34.04 N ANISOU 432 N GLU A 431 4721 4585 3627 -591 -80 -504 N ATOM 433 CA GLU A 431 -48.826 26.370 -15.058 1.00 31.53 C ANISOU 433 CA GLU A 431 4294 4315 3372 -569 18 -577 C ATOM 434 C GLU A 431 -49.212 24.941 -15.463 1.00 35.69 C ANISOU 434 C GLU A 431 4661 4900 4000 -626 22 -595 C ATOM 435 O GLU A 431 -50.342 24.513 -15.219 1.00 40.47 O ANISOU 435 O GLU A 431 5131 5545 4701 -622 101 -656 O ATOM 436 CB GLU A 431 -49.926 27.353 -15.487 1.00 37.59 C ANISOU 436 CB GLU A 431 5001 5094 4189 -421 16 -649 C ATOM 437 CG GLU A 431 -50.383 27.247 -16.954 1.00 40.05 C ANISOU 437 CG GLU A 431 5188 5463 4564 -329 -100 -670 C ATOM 438 CD GLU A 431 -49.472 27.969 -17.935 1.00 48.06 C ANISOU 438 CD GLU A 431 6325 6442 5494 -286 -211 -590 C ATOM 439 OE1 GLU A 431 -48.371 28.411 -17.538 1.00 46.65 O ANISOU 439 OE1 GLU A 431 6295 6186 5245 -354 -200 -518 O ATOM 440 OE2 GLU A 431 -49.870 28.096 -19.114 1.00 48.46 O ANISOU 440 OE2 GLU A 431 6319 6544 5548 -187 -309 -596 O ATOM 441 H GLU A 431 -47.581 27.197 -16.349 1.00 40.85 H ATOM 442 HA GLU A 431 -48.777 26.394 -14.090 1.00 37.84 H ATOM 443 HB2 GLU A 431 -50.705 27.203 -14.929 1.00 45.11 H ATOM 444 HB3 GLU A 431 -49.600 28.256 -15.350 1.00 45.11 H ATOM 445 HG2 GLU A 431 -50.409 26.310 -17.206 1.00 48.06 H ATOM 446 HG3 GLU A 431 -51.270 27.632 -17.033 1.00 48.06 H ATOM 447 N CYS A 432 -48.275 24.224 -16.082 1.00 32.89 N ANISOU 447 N CYS A 432 4312 4540 3646 -680 -55 -553 N ATOM 448 CA CYS A 432 -48.481 22.832 -16.508 1.00 36.60 C ANISOU 448 CA CYS A 432 4649 5031 4224 -736 -67 -585 C ATOM 449 C CYS A 432 -49.086 21.994 -15.387 1.00 39.51 C ANISOU 449 C CYS A 432 4972 5376 4664 -829 54 -572 C ATOM 450 O CYS A 432 -48.542 21.955 -14.284 1.00 40.97 O ANISOU 450 O CYS A 432 5281 5517 4769 -894 113 -489 O ATOM 451 CB CYS A 432 -47.136 22.222 -16.930 1.00 38.53 C ANISOU 451 CB CYS A 432 4947 5246 4448 -785 -135 -533 C ATOM 452 SG CYS A 432 -47.133 20.435 -17.333 1.00 35.14 S ANISOU 452 SG CYS A 432 4390 4792 4170 -856 -154 -580 S ATOM 453 H CYS A 432 -47.492 24.525 -16.273 1.00 39.47 H ATOM 454 HA CYS A 432 -49.082 22.810 -17.269 1.00 43.91 H ATOM 455 HB2 CYS A 432 -46.823 22.694 -17.717 1.00 46.24 H ATOM 456 HB3 CYS A 432 -46.504 22.353 -16.205 1.00 46.24 H ATOM 457 N LYS A 433 -50.212 21.336 -15.668 1.00 35.88 N ANISOU 457 N LYS A 433 4335 4946 4353 -839 88 -651 N ATOM 458 CA LYS A 433 -50.881 20.477 -14.689 1.00 37.85 C ANISOU 458 CA LYS A 433 4518 5166 4698 -945 233 -625 C ATOM 459 C LYS A 433 -50.792 19.000 -15.061 1.00 46.03 C ANISOU 459 C LYS A 433 5458 6140 5892 -1043 201 -630 C ATOM 460 O LYS A 433 -51.514 18.178 -14.500 1.00 46.15 O ANISOU 460 O LYS A 433 5377 6116 6042 -1141 316 -616 O ATOM 461 CB LYS A 433 -52.363 20.839 -14.571 1.00 44.15 C ANISOU 461 CB LYS A 433 5146 6026 5602 -905 331 -715 C ATOM 462 CG LYS A 433 -52.652 22.304 -14.342 1.00 55.55 C ANISOU 462 CG LYS A 433 6654 7516 6939 -778 356 -745 C ATOM 463 CD LYS A 433 -52.149 22.769 -12.996 1.00 60.22 C ANISOU 463 CD LYS A 433 7447 8077 7358 -813 480 -661 C ATOM 464 CE LYS A 433 -52.786 24.094 -12.590 1.00 74.35 C ANISOU 464 CE LYS A 433 9261 9897 9092 -692 556 -731 C ATOM 465 NZ LYS A 433 -52.103 25.271 -13.195 1.00 75.03 N ANISOU 465 NZ LYS A 433 9474 9949 9085 -583 408 -740 N ATOM 466 H LYS A 433 -50.613 21.371 -16.428 1.00 43.06 H ATOM 467 HA LYS A 433 -50.467 20.598 -13.820 1.00 45.42 H ATOM 468 HB2 LYS A 433 -52.810 20.578 -15.391 1.00 52.97 H ATOM 469 HB3 LYS A 433 -52.742 20.347 -13.825 1.00 52.97 H ATOM 470 HG2 LYS A 433 -52.210 22.828 -15.029 1.00 66.67 H ATOM 471 HG3 LYS A 433 -53.611 22.450 -14.375 1.00 66.67 H ATOM 472 HD2 LYS A 433 -52.372 22.106 -12.324 1.00 72.27 H ATOM 473 HD3 LYS A 433 -51.188 22.894 -13.039 1.00 72.27 H ATOM 474 HE2 LYS A 433 -53.711 24.102 -12.881 1.00 89.22 H ATOM 475 HE3 LYS A 433 -52.741 24.184 -11.625 1.00 89.22 H ATOM 476 HZ1 LYS A 433 -52.503 26.022 -12.935 1.00 90.04 H ATOM 477 HZ2 LYS A 433 -51.251 25.294 -12.939 1.00 90.04 H ATOM 478 HZ3 LYS A 433 -52.136 25.219 -14.083 1.00 90.04 H ATOM 479 N VAL A 434 -49.929 18.661 -16.012 1.00 38.92 N ANISOU 479 N VAL A 434 4579 5222 4988 -1018 61 -656 N ATOM 480 CA VAL A 434 -49.788 17.272 -16.432 1.00 44.04 C ANISOU 480 CA VAL A 434 5146 5791 5799 -1093 19 -691 C ATOM 481 C VAL A 434 -49.182 16.446 -15.289 1.00 41.58 C ANISOU 481 C VAL A 434 4936 5359 5502 -1201 100 -541 C ATOM 482 O VAL A 434 -48.106 16.775 -14.793 1.00 36.09 O ANISOU 482 O VAL A 434 4400 4648 4666 -1186 77 -436 O ATOM 483 CB VAL A 434 -48.913 17.151 -17.696 1.00 46.91 C ANISOU 483 CB VAL A 434 5526 6172 6126 -1021 -129 -766 C ATOM 484 CG1 VAL A 434 -48.679 15.686 -18.062 1.00 50.62 C ANISOU 484 CG1 VAL A 434 5928 6536 6771 -1088 -168 -822 C ATOM 485 CG2 VAL A 434 -49.563 17.889 -18.870 1.00 36.26 C ANISOU 485 CG2 VAL A 434 4098 4945 4734 -908 -223 -897 C ATOM 486 H VAL A 434 -49.417 19.213 -16.429 1.00 46.71 H ATOM 487 HA VAL A 434 -50.665 16.910 -16.636 1.00 52.85 H ATOM 488 HB VAL A 434 -48.050 17.560 -17.524 1.00 56.29 H ATOM 489 HG11 VAL A 434 -48.127 15.644 -18.858 1.00 60.75 H ATOM 490 HG12 VAL A 434 -48.230 15.244 -17.324 1.00 60.75 H ATOM 491 HG13 VAL A 434 -49.536 15.262 -18.230 1.00 60.75 H ATOM 492 HG21 VAL A 434 -48.996 17.799 -19.652 1.00 43.51 H ATOM 493 HG22 VAL A 434 -50.433 17.497 -19.046 1.00 43.51 H ATOM 494 HG23 VAL A 434 -49.663 18.825 -18.638 1.00 43.51 H ATOM 495 N PRO A 435 -49.877 15.378 -14.854 1.00 41.90 N ANISOU 495 N PRO A 435 4886 5312 5724 -1313 188 -522 N ATOM 496 CA PRO A 435 -49.321 14.536 -13.786 1.00 41.96 C ANISOU 496 CA PRO A 435 5011 5190 5741 -1409 256 -349 C ATOM 497 C PRO A 435 -48.021 13.859 -14.199 1.00 48.01 C ANISOU 497 C PRO A 435 5848 5859 6534 -1385 121 -324 C ATOM 498 O PRO A 435 -47.924 13.359 -15.319 1.00 52.58 O ANISOU 498 O PRO A 435 6325 6413 7241 -1354 23 -463 O ATOM 499 CB PRO A 435 -50.404 13.471 -13.573 1.00 51.13 C ANISOU 499 CB PRO A 435 6026 6256 7144 -1538 368 -353 C ATOM 500 CG PRO A 435 -51.647 14.052 -14.135 1.00 50.20 C ANISOU 500 CG PRO A 435 5715 6256 7103 -1511 397 -512 C ATOM 501 CD PRO A 435 -51.215 14.921 -15.269 1.00 49.44 C ANISOU 501 CD PRO A 435 5622 6271 6892 -1363 227 -644 C ATOM 502 HA PRO A 435 -49.189 15.046 -12.971 1.00 50.35 H ATOM 503 HB2 PRO A 435 -50.161 12.660 -14.047 1.00 61.35 H ATOM 504 HB3 PRO A 435 -50.506 13.296 -12.625 1.00 61.35 H ATOM 505 HG2 PRO A 435 -52.224 13.340 -14.452 1.00 60.24 H ATOM 506 HG3 PRO A 435 -52.096 14.578 -13.455 1.00 60.24 H ATOM 507 HD2 PRO A 435 -51.158 14.404 -16.088 1.00 59.33 H ATOM 508 HD3 PRO A 435 -51.817 15.676 -15.365 1.00 59.33 H ATOM 509 N GLY A 436 -47.039 13.841 -13.305 1.00 45.12 N ANISOU 509 N GLY A 436 5649 5445 6049 -1390 111 -161 N ATOM 510 CA GLY A 436 -45.780 13.170 -13.569 1.00 41.24 C ANISOU 510 CA GLY A 436 5203 4854 5612 -1357 -13 -126 C ATOM 511 C GLY A 436 -44.784 13.987 -14.378 1.00 46.37 C ANISOU 511 C GLY A 436 5865 5601 6155 -1248 -126 -206 C ATOM 512 O GLY A 436 -43.653 13.546 -14.582 1.00 48.96 O ANISOU 512 O GLY A 436 6210 5865 6527 -1209 -216 -183 O ATOM 513 H GLY A 436 -47.081 14.214 -12.531 1.00 54.14 H ATOM 514 HA2 GLY A 436 -45.362 12.939 -12.725 1.00 49.49 H ATOM 515 HA3 GLY A 436 -45.956 12.348 -14.053 1.00 49.49 H ATOM 516 N CYS A 437 -45.184 15.167 -14.846 1.00 40.83 N ANISOU 516 N CYS A 437 5144 5041 5328 -1196 -114 -290 N ATOM 517 CA CYS A 437 -44.274 16.013 -15.617 1.00 41.18 C ANISOU 517 CA CYS A 437 5208 5169 5269 -1109 -195 -339 C ATOM 518 C CYS A 437 -43.166 16.533 -14.708 1.00 44.01 C ANISOU 518 C CYS A 437 5697 5517 5508 -1113 -234 -206 C ATOM 519 O CYS A 437 -43.441 17.212 -13.720 1.00 41.72 O ANISOU 519 O CYS A 437 5508 5254 5088 -1140 -192 -133 O ATOM 520 CB CYS A 437 -45.022 17.184 -16.267 1.00 36.75 C ANISOU 520 CB CYS A 437 4618 4738 4608 -1051 -177 -431 C ATOM 521 SG CYS A 437 -43.981 18.249 -17.345 1.00 37.34 S ANISOU 521 SG CYS A 437 4727 4903 4558 -957 -249 -465 S ATOM 522 H CYS A 437 -45.970 15.499 -14.733 1.00 48.99 H ATOM 523 HA CYS A 437 -43.866 15.485 -16.322 1.00 49.41 H ATOM 524 HB2 CYS A 437 -45.741 16.828 -16.812 1.00 44.10 H ATOM 525 HB3 CYS A 437 -45.389 17.744 -15.566 1.00 44.10 H ATOM 526 N LYS A 438 -41.920 16.208 -15.047 1.00 41.99 N ANISOU 526 N LYS A 438 5427 5225 5301 -1080 -318 -193 N ATOM 527 CA LYS A 438 -40.765 16.586 -14.234 1.00 41.90 C ANISOU 527 CA LYS A 438 5504 5198 5220 -1086 -393 -80 C ATOM 528 C LYS A 438 -39.835 17.540 -14.976 1.00 41.72 C ANISOU 528 C LYS A 438 5449 5250 5151 -1041 -434 -125 C ATOM 529 O LYS A 438 -38.678 17.711 -14.594 1.00 39.80 O ANISOU 529 O LYS A 438 5218 4989 4916 -1043 -515 -63 O ATOM 530 CB LYS A 438 -39.972 15.345 -13.821 1.00 48.07 C ANISOU 530 CB LYS A 438 6273 5853 6138 -1087 -467 1 C ATOM 531 CG LYS A 438 -40.759 14.337 -13.008 1.00 52.57 C ANISOU 531 CG LYS A 438 6895 6315 6766 -1147 -420 90 C ATOM 532 CD LYS A 438 -41.130 14.881 -11.645 1.00 65.73 C ANISOU 532 CD LYS A 438 8720 8012 8241 -1202 -388 218 C ATOM 533 CE LYS A 438 -41.763 13.805 -10.776 1.00 74.78 C ANISOU 533 CE LYS A 438 9933 9043 9435 -1269 -323 350 C ATOM 534 NZ LYS A 438 -41.963 14.264 -9.372 1.00 84.65 N ANISOU 534 NZ LYS A 438 11371 10336 10455 -1312 -287 490 N ATOM 535 H LYS A 438 -41.714 15.763 -15.753 1.00 50.38 H ATOM 536 HA LYS A 438 -41.074 17.030 -13.429 1.00 50.28 H ATOM 537 HB2 LYS A 438 -39.659 14.896 -14.622 1.00 57.68 H ATOM 538 HB3 LYS A 438 -39.213 15.626 -13.286 1.00 57.68 H ATOM 539 HG2 LYS A 438 -41.577 14.117 -13.479 1.00 63.09 H ATOM 540 HG3 LYS A 438 -40.221 13.540 -12.880 1.00 63.09 H ATOM 541 HD2 LYS A 438 -40.330 15.202 -11.199 1.00 78.87 H ATOM 542 HD3 LYS A 438 -41.769 15.603 -11.751 1.00 78.87 H ATOM 543 HE2 LYS A 438 -42.629 13.568 -11.143 1.00 89.73 H ATOM 544 HE3 LYS A 438 -41.184 13.027 -10.760 1.00 89.73 H ATOM 545 HZ1 LYS A 438 -42.334 13.615 -8.889 1.00101.58 H ATOM 546 HZ2 LYS A 438 -41.180 14.483 -9.009 1.00101.58 H ATOM 547 HZ3 LYS A 438 -42.497 14.976 -9.358 1.00101.58 H ATOM 548 N PHE A 439 -40.322 18.149 -16.049 1.00 42.63 N ANISOU 548 N PHE A 439 5520 5450 5229 -1002 -383 -225 N ATOM 549 CA PHE A 439 -39.568 19.214 -16.684 1.00 37.14 C ANISOU 549 CA PHE A 439 4822 4820 4468 -975 -391 -234 C ATOM 550 C PHE A 439 -39.553 20.381 -15.706 1.00 40.04 C ANISOU 550 C PHE A 439 5306 5188 4718 -1017 -410 -165 C ATOM 551 O PHE A 439 -40.353 20.413 -14.775 1.00 36.91 O ANISOU 551 O PHE A 439 4989 4775 4261 -1043 -390 -141 O ATOM 552 CB PHE A 439 -40.202 19.609 -18.014 1.00 44.25 C ANISOU 552 CB PHE A 439 5684 5808 5322 -916 -338 -331 C ATOM 553 CG PHE A 439 -39.998 18.593 -19.105 1.00 40.21 C ANISOU 553 CG PHE A 439 5072 5311 4896 -866 -328 -430 C ATOM 554 CD1 PHE A 439 -38.780 18.494 -19.756 1.00 42.97 C ANISOU 554 CD1 PHE A 439 5365 5681 5280 -837 -317 -439 C ATOM 555 CD2 PHE A 439 -41.022 17.743 -19.480 1.00 43.21 C ANISOU 555 CD2 PHE A 439 5404 5681 5332 -851 -326 -532 C ATOM 556 CE1 PHE A 439 -38.588 17.563 -20.765 1.00 50.97 C ANISOU 556 CE1 PHE A 439 6297 6712 6358 -777 -294 -558 C ATOM 557 CE2 PHE A 439 -40.837 16.810 -20.489 1.00 50.84 C ANISOU 557 CE2 PHE A 439 6291 6651 6373 -802 -330 -656 C ATOM 558 CZ PHE A 439 -39.619 16.719 -21.129 1.00 51.72 C ANISOU 558 CZ PHE A 439 6369 6789 6493 -757 -309 -674 C ATOM 559 H PHE A 439 -41.075 17.967 -16.422 1.00 51.16 H ATOM 560 HA PHE A 439 -38.656 18.925 -16.844 1.00 44.56 H ATOM 561 HB2 PHE A 439 -41.158 19.718 -17.885 1.00 53.10 H ATOM 562 HB3 PHE A 439 -39.813 20.446 -18.310 1.00 53.10 H ATOM 563 HD1 PHE A 439 -38.082 19.060 -19.515 1.00 51.56 H ATOM 564 HD2 PHE A 439 -41.846 17.800 -19.052 1.00 51.85 H ATOM 565 HE1 PHE A 439 -37.765 17.505 -21.194 1.00 61.17 H ATOM 566 HE2 PHE A 439 -41.533 16.243 -20.732 1.00 61.00 H ATOM 567 HZ PHE A 439 -39.492 16.093 -21.805 1.00 62.07 H ATOM 568 N THR A 440 -38.640 21.326 -15.889 1.00 36.29 N ANISOU 568 N THR A 440 4841 4727 4219 -1028 -439 -141 N ATOM 569 CA THR A 440 -38.567 22.463 -14.984 1.00 37.90 C ANISOU 569 CA THR A 440 5161 4910 4328 -1072 -475 -105 C ATOM 570 C THR A 440 -39.731 23.401 -15.249 1.00 43.13 C ANISOU 570 C THR A 440 5889 5600 4897 -1035 -403 -149 C ATOM 571 O THR A 440 -39.901 23.893 -16.365 1.00 39.41 O ANISOU 571 O THR A 440 5385 5167 4423 -989 -362 -174 O ATOM 572 CB THR A 440 -37.251 23.234 -15.139 1.00 42.22 C ANISOU 572 CB THR A 440 5681 5441 4921 -1113 -531 -74 C ATOM 573 OG1 THR A 440 -36.153 22.331 -14.979 1.00 42.56 O ANISOU 573 OG1 THR A 440 5623 5464 5083 -1127 -605 -42 O ATOM 574 CG2 THR A 440 -37.145 24.345 -14.092 1.00 44.88 C ANISOU 574 CG2 THR A 440 6146 5731 5176 -1168 -597 -62 C ATOM 575 H THR A 440 -38.058 21.333 -16.522 1.00 43.54 H ATOM 576 HA THR A 440 -38.631 22.149 -14.069 1.00 45.48 H ATOM 577 HB THR A 440 -37.213 23.637 -16.021 1.00 50.67 H ATOM 578 HG1 THR A 440 -36.191 21.726 -15.562 1.00 51.07 H ATOM 579 HG21 THR A 440 -36.309 24.824 -14.201 1.00 53.86 H ATOM 580 HG22 THR A 440 -37.882 24.968 -14.196 1.00 53.86 H ATOM 581 HG23 THR A 440 -37.177 23.964 -13.201 1.00 53.86 H ATOM 582 N HIS A 441 -40.534 23.642 -14.219 1.00 35.69 N ANISOU 582 N HIS A 441 5044 4644 3872 -1044 -386 -156 N ATOM 583 CA HIS A 441 -41.654 24.562 -14.335 1.00 38.67 C ANISOU 583 CA HIS A 441 5471 5038 4185 -993 -319 -208 C ATOM 584 C HIS A 441 -41.279 25.917 -13.758 1.00 38.89 C ANISOU 584 C HIS A 441 5621 5009 4145 -1011 -355 -211 C ATOM 585 O HIS A 441 -41.009 26.035 -12.570 1.00 35.86 O ANISOU 585 O HIS A 441 5336 4597 3693 -1058 -394 -208 O ATOM 586 CB HIS A 441 -42.877 23.973 -13.643 1.00 36.13 C ANISOU 586 CB HIS A 441 5151 4739 3837 -983 -241 -236 C ATOM 587 CG HIS A 441 -43.335 22.688 -14.256 1.00 37.94 C ANISOU 587 CG HIS A 441 5251 4994 4168 -979 -212 -250 C ATOM 588 ND1 HIS A 441 -43.015 21.456 -13.731 1.00 37.45 N ANISOU 588 ND1 HIS A 441 5172 4897 4160 -1034 -223 -197 N ATOM 589 CD2 HIS A 441 -44.053 22.444 -15.377 1.00 31.84 C ANISOU 589 CD2 HIS A 441 4367 4268 3463 -923 -193 -318 C ATOM 590 CE1 HIS A 441 -43.538 20.508 -14.488 1.00 40.54 C ANISOU 590 CE1 HIS A 441 5442 5294 4666 -1023 -199 -242 C ATOM 591 NE2 HIS A 441 -44.175 21.081 -15.493 1.00 37.25 N ANISOU 591 NE2 HIS A 441 4964 4937 4251 -957 -187 -326 N ATOM 592 H HIS A 441 -40.451 23.284 -13.441 1.00 42.83 H ATOM 593 HA HIS A 441 -41.868 24.683 -15.273 1.00 46.41 H ATOM 594 HB2 HIS A 441 -42.660 23.800 -12.713 1.00 43.35 H ATOM 595 HB3 HIS A 441 -43.608 24.609 -13.700 1.00 43.35 H ATOM 596 HD1 HIS A 441 -42.557 21.324 -13.015 1.00 44.94 H ATOM 597 HD2 HIS A 441 -44.412 23.081 -15.952 1.00 38.21 H ATOM 598 HE1 HIS A 441 -43.469 19.592 -14.338 1.00 48.64 H ATOM 599 N LEU A 442 -41.237 26.940 -14.607 1.00 38.09 N ANISOU 599 N LEU A 442 5527 4885 4061 -975 -349 -216 N ATOM 600 CA LEU A 442 -40.836 28.269 -14.154 1.00 42.22 C ANISOU 600 CA LEU A 442 6164 5317 4560 -1002 -387 -224 C ATOM 601 C LEU A 442 -41.858 28.860 -13.194 1.00 44.54 C ANISOU 601 C LEU A 442 6568 5584 4769 -957 -346 -302 C ATOM 602 O LEU A 442 -43.049 28.541 -13.254 1.00 39.02 O ANISOU 602 O LEU A 442 5832 4942 4053 -882 -264 -341 O ATOM 603 CB LEU A 442 -40.651 29.223 -15.335 1.00 41.93 C ANISOU 603 CB LEU A 442 6123 5238 4570 -971 -372 -185 C ATOM 604 CG LEU A 442 -39.733 28.796 -16.482 1.00 48.83 C ANISOU 604 CG LEU A 442 6892 6155 5505 -999 -364 -111 C ATOM 605 CD1 LEU A 442 -39.314 30.026 -17.282 1.00 49.61 C ANISOU 605 CD1 LEU A 442 7040 6178 5634 -1008 -344 -42 C ATOM 606 CD2 LEU A 442 -38.525 28.034 -15.999 1.00 55.21 C ANISOU 606 CD2 LEU A 442 7629 6972 6378 -1094 -420 -91 C ATOM 607 H LEU A 442 -41.434 26.892 -15.443 1.00 45.71 H ATOM 608 HA LEU A 442 -39.988 28.202 -13.687 1.00 50.66 H ATOM 609 HB2 LEU A 442 -41.525 29.388 -15.722 1.00 50.32 H ATOM 610 HB3 LEU A 442 -40.297 30.058 -14.989 1.00 50.32 H ATOM 611 HG LEU A 442 -40.231 28.213 -17.077 1.00 58.59 H ATOM 612 HD11 LEU A 442 -38.733 29.747 -18.007 1.00 59.54 H ATOM 613 HD12 LEU A 442 -40.107 30.455 -17.639 1.00 59.54 H ATOM 614 HD13 LEU A 442 -38.842 30.637 -16.695 1.00 59.54 H ATOM 615 HD21 LEU A 442 -37.980 27.788 -16.763 1.00 66.26 H ATOM 616 HD22 LEU A 442 -38.016 28.599 -15.397 1.00 66.26 H ATOM 617 HD23 LEU A 442 -38.821 27.236 -15.533 1.00 66.26 H ATOM 618 N LYS A 443 -41.372 29.724 -12.310 1.00 41.40 N ANISOU 618 N LYS A 443 6297 5102 4330 -1003 -404 -340 N ATOM 619 CA LYS A 443 -42.211 30.457 -11.376 1.00 44.42 C ANISOU 619 CA LYS A 443 6808 5449 4623 -952 -358 -442 C ATOM 620 C LYS A 443 -42.276 31.926 -11.780 1.00 50.74 C ANISOU 620 C LYS A 443 7680 6116 5483 -909 -371 -481 C ATOM 621 O LYS A 443 -43.067 32.695 -11.233 1.00 54.68 O ANISOU 621 O LYS A 443 8273 6562 5942 -834 -323 -582 O ATOM 622 CB LYS A 443 -41.654 30.315 -9.961 1.00 45.29 C ANISOU 622 CB LYS A 443 7041 5557 4611 -1028 -427 -482 C ATOM 623 CG LYS A 443 -41.597 28.873 -9.498 1.00 50.19 C ANISOU 623 CG LYS A 443 7616 6283 5170 -1064 -419 -413 C ATOM 624 CD LYS A 443 -41.175 28.758 -8.048 1.00 60.53 C ANISOU 624 CD LYS A 443 9083 7604 6311 -1117 -493 -439 C ATOM 625 CE LYS A 443 -41.738 27.490 -7.431 1.00 62.41 C ANISOU 625 CE LYS A 443 9326 7939 6449 -1116 -408 -371 C ATOM 626 NZ LYS A 443 -41.141 26.256 -7.997 1.00 55.09 N ANISOU 626 NZ LYS A 443 8262 7032 5638 -1153 -464 -247 N ATOM 627 H LYS A 443 -40.535 29.906 -12.231 1.00 49.68 H ATOM 628 HA LYS A 443 -43.110 30.092 -11.392 1.00 53.31 H ATOM 629 HB2 LYS A 443 -40.753 30.674 -9.939 1.00 54.35 H ATOM 630 HB3 LYS A 443 -42.222 30.806 -9.347 1.00 54.35 H ATOM 631 HG2 LYS A 443 -42.476 28.474 -9.590 1.00 60.22 H ATOM 632 HG3 LYS A 443 -40.953 28.390 -10.039 1.00 60.22 H ATOM 633 HD2 LYS A 443 -40.207 28.722 -7.994 1.00 72.64 H ATOM 634 HD3 LYS A 443 -41.515 29.518 -7.551 1.00 72.64 H ATOM 635 HE2 LYS A 443 -41.560 27.498 -6.477 1.00 74.90 H ATOM 636 HE3 LYS A 443 -42.694 27.460 -7.589 1.00 74.90 H ATOM 637 HZ1 LYS A 443 -41.499 25.539 -7.609 1.00 66.11 H ATOM 638 HZ2 LYS A 443 -41.296 26.217 -8.873 1.00 66.11 H ATOM 639 HZ3 LYS A 443 -40.262 26.252 -7.859 1.00 66.11 H ATOM 640 N THR A 444 -41.440 32.305 -12.742 1.00 40.84 N ANISOU 640 N THR A 444 6382 4801 4335 -954 -423 -396 N ATOM 641 CA THR A 444 -41.431 33.662 -13.266 1.00 46.98 C ANISOU 641 CA THR A 444 7231 5427 5192 -924 -431 -390 C ATOM 642 C THR A 444 -42.644 33.880 -14.167 1.00 42.55 C ANISOU 642 C THR A 444 6634 4888 4644 -770 -356 -372 C ATOM 643 O THR A 444 -42.816 33.158 -15.151 1.00 45.81 O ANISOU 643 O THR A 444 6935 5410 5059 -736 -331 -296 O ATOM 644 CB THR A 444 -40.154 33.929 -14.088 1.00 51.55 C ANISOU 644 CB THR A 444 7762 5943 5880 -1033 -478 -275 C ATOM 645 OG1 THR A 444 -39.001 33.720 -13.263 1.00 54.02 O ANISOU 645 OG1 THR A 444 8072 6238 6214 -1173 -575 -300 O ATOM 646 CG2 THR A 444 -40.140 35.355 -14.622 1.00 42.74 C ANISOU 646 CG2 THR A 444 6740 4641 4860 -1017 -475 -238 C ATOM 647 H THR A 444 -40.862 31.786 -13.111 1.00 49.01 H ATOM 648 HA THR A 444 -41.469 34.296 -12.534 1.00 56.37 H ATOM 649 HB THR A 444 -40.125 33.320 -14.842 1.00 61.86 H ATOM 650 HG1 THR A 444 -38.987 32.928 -12.984 1.00 64.82 H ATOM 651 HG21 THR A 444 -39.332 35.508 -15.136 1.00 51.29 H ATOM 652 HG22 THR A 444 -40.910 35.502 -15.194 1.00 51.29 H ATOM 653 HG23 THR A 444 -40.169 35.985 -13.886 1.00 51.29 H ATOM 654 N PRO A 445 -43.496 34.867 -13.835 1.00 40.91 N ANISOU 654 N PRO A 445 6519 4577 4449 -665 -332 -456 N ATOM 655 CA PRO A 445 -44.655 35.134 -14.697 1.00 40.52 C ANISOU 655 CA PRO A 445 6419 4543 4434 -498 -291 -438 C ATOM 656 C PRO A 445 -44.298 35.585 -16.113 1.00 43.67 C ANISOU 656 C PRO A 445 6814 4890 4888 -476 -327 -283 C ATOM 657 O PRO A 445 -43.331 36.319 -16.312 1.00 44.90 O ANISOU 657 O PRO A 445 7053 4906 5101 -567 -359 -207 O ATOM 658 CB PRO A 445 -45.412 36.246 -13.952 1.00 44.53 C ANISOU 658 CB PRO A 445 7037 4910 4972 -392 -268 -567 C ATOM 659 CG PRO A 445 -44.504 36.724 -12.880 1.00 53.15 C ANISOU 659 CG PRO A 445 8265 5888 6042 -517 -310 -645 C ATOM 660 CD PRO A 445 -43.577 35.608 -12.563 1.00 51.16 C ANISOU 660 CD PRO A 445 7956 5767 5716 -671 -341 -600 C ATOM 661 HA PRO A 445 -45.219 34.346 -14.748 1.00 48.62 H ATOM 662 HB2 PRO A 445 -45.618 36.966 -14.568 1.00 53.43 H ATOM 663 HB3 PRO A 445 -46.226 35.883 -13.570 1.00 53.43 H ATOM 664 HG2 PRO A 445 -44.008 37.494 -13.199 1.00 63.78 H ATOM 665 HG3 PRO A 445 -45.027 36.960 -12.098 1.00 63.78 H ATOM 666 HD2 PRO A 445 -42.705 35.952 -12.315 1.00 61.39 H ATOM 667 HD3 PRO A 445 -43.950 35.045 -11.867 1.00 61.39 H ATOM 668 N CYS A 446 -45.077 35.126 -17.088 1.00 40.96 N ANISOU 668 N CYS A 446 6374 4664 4523 -362 -320 -237 N ATOM 669 CA CYS A 446 -44.940 35.581 -18.465 1.00 40.83 C ANISOU 669 CA CYS A 446 6382 4620 4510 -306 -353 -88 C ATOM 670 C CYS A 446 -45.363 37.039 -18.551 1.00 42.47 C ANISOU 670 C CYS A 446 6721 4620 4797 -196 -381 -60 C ATOM 671 O CYS A 446 -46.359 37.436 -17.945 1.00 46.27 O ANISOU 671 O CYS A 446 7205 5053 5324 -72 -379 -179 O ATOM 672 CB CYS A 446 -45.804 34.729 -19.394 1.00 36.99 C ANISOU 672 CB CYS A 446 5772 4321 3964 -192 -371 -81 C ATOM 673 SG CYS A 446 -45.855 35.312 -21.090 1.00 39.86 S ANISOU 673 SG CYS A 446 6198 4679 4266 -80 -429 98 S ATOM 674 H CYS A 446 -45.699 34.544 -16.975 1.00 49.15 H ATOM 675 HA CYS A 446 -44.014 35.507 -18.744 1.00 48.99 H ATOM 676 HB2 CYS A 446 -45.453 33.825 -19.403 1.00 44.39 H ATOM 677 HB3 CYS A 446 -46.713 34.725 -19.056 1.00 44.39 H ATOM 678 N LYS A 447 -44.607 37.831 -19.305 1.00 46.19 N ANISOU 678 N LYS A 447 7297 4957 5297 -240 -395 101 N ATOM 679 CA LYS A 447 -44.815 39.276 -19.356 1.00 50.71 C ANISOU 679 CA LYS A 447 8019 5274 5974 -161 -425 151 C ATOM 680 C LYS A 447 -45.773 39.693 -20.469 1.00 50.31 C ANISOU 680 C LYS A 447 7991 5222 5901 50 -479 263 C ATOM 681 O LYS A 447 -46.196 40.845 -20.521 1.00 53.70 O ANISOU 681 O LYS A 447 8536 5437 6430 167 -518 300 O ATOM 682 CB LYS A 447 -43.473 39.994 -19.539 1.00 52.83 C ANISOU 682 CB LYS A 447 8395 5361 6319 -338 -406 285 C ATOM 683 CG LYS A 447 -42.791 39.705 -20.868 1.00 56.46 C ANISOU 683 CG LYS A 447 8842 5912 6698 -394 -365 503 C ATOM 684 CD LYS A 447 -41.413 40.345 -20.954 1.00 64.80 C ANISOU 684 CD LYS A 447 9963 6798 7861 -600 -314 629 C ATOM 685 CE LYS A 447 -40.735 40.016 -22.280 1.00 77.41 C ANISOU 685 CE LYS A 447 11542 8512 9359 -653 -229 844 C ATOM 686 NZ LYS A 447 -39.425 40.710 -22.446 1.00 83.70 N ANISOU 686 NZ LYS A 447 12378 9135 10289 -860 -149 988 N ATOM 687 H LYS A 447 -43.961 37.554 -19.800 1.00 55.43 H ATOM 688 HA LYS A 447 -45.195 39.567 -18.512 1.00 60.85 H ATOM 689 HB2 LYS A 447 -43.623 40.951 -19.486 1.00 63.40 H ATOM 690 HB3 LYS A 447 -42.872 39.717 -18.831 1.00 63.40 H ATOM 691 HG2 LYS A 447 -42.686 38.746 -20.969 1.00 67.75 H ATOM 692 HG3 LYS A 447 -43.335 40.059 -21.589 1.00 67.75 H ATOM 693 HD2 LYS A 447 -41.502 41.309 -20.888 1.00 77.76 H ATOM 694 HD3 LYS A 447 -40.857 40.008 -20.235 1.00 77.76 H ATOM 695 HE2 LYS A 447 -40.576 39.060 -22.325 1.00 92.89 H ATOM 696 HE3 LYS A 447 -41.314 40.291 -23.008 1.00 92.89 H ATOM 697 HZ1 LYS A 447 -39.063 40.492 -23.230 1.00100.44 H ATOM 698 HZ2 LYS A 447 -39.542 41.591 -22.417 1.00100.44 H ATOM 699 HZ3 LYS A 447 -38.869 40.470 -21.794 1.00100.44 H ATOM 700 N PHE A 448 -46.118 38.761 -21.353 1.00 46.94 N ANISOU 700 N PHE A 448 7460 5027 5348 108 -498 308 N ATOM 701 CA PHE A 448 -46.952 39.083 -22.509 1.00 47.01 C ANISOU 701 CA PHE A 448 7496 5065 5301 308 -585 423 C ATOM 702 C PHE A 448 -48.439 38.942 -22.206 1.00 51.33 C ANISOU 702 C PHE A 448 7919 5679 5903 511 -654 267 C ATOM 703 O PHE A 448 -48.872 37.954 -21.613 1.00 51.11 O ANISOU 703 O PHE A 448 7728 5819 5873 484 -623 99 O ATOM 704 CB PHE A 448 -46.580 38.194 -23.693 1.00 51.14 C ANISOU 704 CB PHE A 448 7979 5807 5643 277 -588 532 C ATOM 705 CG PHE A 448 -45.195 38.435 -24.213 1.00 55.25 C ANISOU 705 CG PHE A 448 8610 6270 6113 108 -498 713 C ATOM 706 CD1 PHE A 448 -44.954 39.440 -25.132 1.00 58.96 C ANISOU 706 CD1 PHE A 448 9254 6601 6547 155 -502 946 C ATOM 707 CD2 PHE A 448 -44.132 37.663 -23.776 1.00 52.14 C ANISOU 707 CD2 PHE A 448 8136 5953 5720 -95 -404 662 C ATOM 708 CE1 PHE A 448 -43.682 39.668 -25.610 1.00 63.87 C ANISOU 708 CE1 PHE A 448 9957 7171 7138 -16 -386 1121 C ATOM 709 CE2 PHE A 448 -42.858 37.886 -24.252 1.00 57.01 C ANISOU 709 CE2 PHE A 448 8814 6524 6323 -251 -307 819 C ATOM 710 CZ PHE A 448 -42.632 38.890 -25.170 1.00 64.49 C ANISOU 710 CZ PHE A 448 9924 7342 7239 -221 -284 1048 C ATOM 711 H PHE A 448 -45.883 37.935 -21.307 1.00 56.33 H ATOM 712 HA PHE A 448 -46.787 40.004 -22.766 1.00 56.41 H ATOM 713 HB2 PHE A 448 -46.636 37.266 -23.417 1.00 61.36 H ATOM 714 HB3 PHE A 448 -47.203 38.361 -24.418 1.00 61.36 H ATOM 715 HD1 PHE A 448 -45.659 39.967 -25.432 1.00 70.75 H ATOM 716 HD2 PHE A 448 -44.280 36.984 -23.158 1.00 62.56 H ATOM 717 HE1 PHE A 448 -43.531 40.346 -26.229 1.00 76.64 H ATOM 718 HE2 PHE A 448 -42.152 37.360 -23.953 1.00 68.41 H ATOM 719 HZ PHE A 448 -41.773 39.042 -25.492 1.00 77.39 H ATOM 720 N ARG A 449 -49.214 39.940 -22.621 1.00 63.39 N ANISOU 720 N ARG A 449 10055 6551 7478 1896 -1321 -158 N ATOM 721 CA ARG A 449 -50.658 39.934 -22.418 1.00 65.71 C ANISOU 721 CA ARG A 449 10098 7168 7699 2415 -1290 -331 C ATOM 722 C ARG A 449 -51.381 40.405 -23.673 1.00 68.05 C ANISOU 722 C ARG A 449 10372 7446 8040 2658 -1486 -24 C ATOM 723 O ARG A 449 -51.437 41.604 -23.939 1.00 77.41 O ANISOU 723 O ARG A 449 11893 8112 9405 2924 -1723 78 O ATOM 724 CB ARG A 449 -51.037 40.827 -21.237 1.00 74.69 C ANISOU 724 CB ARG A 449 11454 8019 8904 2876 -1324 -717 C ATOM 725 CG ARG A 449 -50.542 40.302 -19.905 1.00 73.96 C ANISOU 725 CG ARG A 449 11391 8061 8649 2705 -1151 -1044 C ATOM 726 CD ARG A 449 -51.216 40.993 -18.736 1.00 91.25 C ANISOU 726 CD ARG A 449 13753 10174 10744 3278 -1098 -1493 C ATOM 727 NE ARG A 449 -50.793 40.416 -17.461 1.00 98.47 N ANISOU 727 NE ARG A 449 14726 11304 11382 3110 -935 -1775 N ATOM 728 CZ ARG A 449 -51.350 39.349 -16.894 1.00 97.50 C ANISOU 728 CZ ARG A 449 14191 11865 10991 3091 -603 -1808 C ATOM 729 NH1 ARG A 449 -52.368 38.727 -17.477 1.00 92.87 N ANISOU 729 NH1 ARG A 449 13054 11805 10427 3201 -416 -1602 N ATOM 730 NH2 ARG A 449 -50.888 38.902 -15.733 1.00101.63 N ANISOU 730 NH2 ARG A 449 14856 12533 11225 2929 -503 -2012 N ATOM 731 H ARG A 449 -48.923 40.640 -23.027 1.00 76.06 H ATOM 732 HA ARG A 449 -50.949 39.030 -22.221 1.00 78.85 H ATOM 733 HB2 ARG A 449 -50.653 41.707 -21.373 1.00 89.62 H ATOM 734 HB3 ARG A 449 -52.004 40.892 -21.191 1.00 89.62 H ATOM 735 HG2 ARG A 449 -50.732 39.353 -19.846 1.00 88.75 H ATOM 736 HG3 ARG A 449 -49.587 40.456 -19.837 1.00 88.75 H ATOM 737 HD2 ARG A 449 -50.978 41.933 -18.738 1.00109.50 H ATOM 738 HD3 ARG A 449 -52.177 40.890 -18.813 1.00109.50 H ATOM 739 HE ARG A 449 -50.139 40.792 -17.050 1.00118.16 H ATOM 740 HH11 ARG A 449 -52.672 39.012 -18.230 1.00111.44 H ATOM 741 HH12 ARG A 449 -52.723 38.039 -17.103 1.00111.44 H ATOM 742 HH21 ARG A 449 -50.230 39.302 -15.350 1.00121.95 H ATOM 743 HH22 ARG A 449 -51.248 38.214 -15.363 1.00121.95 H ATOM 744 N PRO A 450 -51.933 39.465 -24.458 1.00 63.31 N ANISOU 744 N PRO A 450 9415 7366 7275 2560 -1453 132 N ATOM 745 CA PRO A 450 -51.890 38.009 -24.278 1.00 60.22 C ANISOU 745 CA PRO A 450 8670 7495 6715 2220 -1246 44 C ATOM 746 C PRO A 450 -50.559 37.408 -24.713 1.00 53.80 C ANISOU 746 C PRO A 450 8032 6602 5809 1696 -1146 178 C ATOM 747 O PRO A 450 -49.847 38.012 -25.515 1.00 57.26 O ANISOU 747 O PRO A 450 8771 6734 6250 1570 -1221 441 O ATOM 748 CB PRO A 450 -53.002 37.520 -25.204 1.00 62.77 C ANISOU 748 CB PRO A 450 8658 8237 6953 2345 -1404 192 C ATOM 749 CG PRO A 450 -53.036 38.522 -26.289 1.00 62.08 C ANISOU 749 CG PRO A 450 8882 7836 6871 2529 -1680 488 C ATOM 750 CD PRO A 450 -52.733 39.840 -25.636 1.00 62.78 C ANISOU 750 CD PRO A 450 9311 7353 7190 2809 -1714 419 C ATOM 751 HA PRO A 450 -52.086 37.763 -23.360 1.00 72.26 H ATOM 752 HB2 PRO A 450 -52.781 36.642 -25.551 1.00 75.32 H ATOM 753 HB3 PRO A 450 -53.845 37.501 -24.724 1.00 75.32 H ATOM 754 HG2 PRO A 450 -52.361 38.307 -26.951 1.00 74.50 H ATOM 755 HG3 PRO A 450 -53.918 38.536 -26.692 1.00 74.50 H ATOM 756 HD2 PRO A 450 -52.213 40.401 -26.232 1.00 75.34 H ATOM 757 HD3 PRO A 450 -53.554 40.278 -25.361 1.00 75.34 H ATOM 758 N CYS A 451 -50.231 36.233 -24.183 1.00 48.92 N ANISOU 758 N CYS A 451 7204 6262 5123 1412 -965 32 N ATOM 759 CA CYS A 451 -49.080 35.474 -24.657 1.00 41.42 C ANISOU 759 CA CYS A 451 6323 5313 4102 1001 -851 132 C ATOM 760 C CYS A 451 -49.531 34.526 -25.760 1.00 39.51 C ANISOU 760 C CYS A 451 5949 5415 3647 921 -896 208 C ATOM 761 O CYS A 451 -50.472 33.756 -25.573 1.00 46.27 O ANISOU 761 O CYS A 451 6517 6588 4477 957 -958 90 O ATOM 762 CB CYS A 451 -48.448 34.673 -23.520 1.00 42.95 C ANISOU 762 CB CYS A 451 6401 5559 4360 770 -702 -60 C ATOM 763 SG CYS A 451 -47.181 33.505 -24.084 1.00 41.34 S ANISOU 763 SG CYS A 451 6165 5416 4125 375 -556 21 S ATOM 764 H CYS A 451 -50.662 35.853 -23.544 1.00 58.71 H ATOM 765 HA CYS A 451 -48.415 36.079 -25.020 1.00 49.71 H ATOM 766 HB2 CYS A 451 -48.031 35.288 -22.896 1.00 51.54 H ATOM 767 HB3 CYS A 451 -49.142 34.166 -23.069 1.00 51.54 H ATOM 768 N THR A 452 -48.859 34.585 -26.905 1.00 42.36 N ANISOU 768 N THR A 452 6533 5720 3842 798 -872 413 N ATOM 769 CA THR A 452 -49.226 33.765 -28.058 1.00 41.61 C ANISOU 769 CA THR A 452 6446 5920 3445 756 -957 439 C ATOM 770 C THR A 452 -48.102 32.813 -28.462 1.00 44.87 C ANISOU 770 C THR A 452 6937 6391 3719 504 -720 386 C ATOM 771 O THR A 452 -48.125 32.236 -29.545 1.00 45.55 O ANISOU 771 O THR A 452 7168 6664 3476 490 -747 382 O ATOM 772 CB THR A 452 -49.609 34.636 -29.255 1.00 47.05 C ANISOU 772 CB THR A 452 7388 6585 3904 934 -1148 725 C ATOM 773 OG1 THR A 452 -48.514 35.493 -29.596 1.00 53.79 O ANISOU 773 OG1 THR A 452 8529 7158 4752 837 -972 1009 O ATOM 774 CG2 THR A 452 -50.832 35.478 -28.926 1.00 52.50 C ANISOU 774 CG2 THR A 452 7948 7227 4773 1274 -1425 757 C ATOM 775 H THR A 452 -48.180 35.096 -27.042 1.00 50.83 H ATOM 776 HA THR A 452 -49.999 33.228 -27.824 1.00 49.93 H ATOM 777 HB THR A 452 -49.822 34.068 -30.013 1.00 56.46 H ATOM 778 HG1 THR A 452 -48.323 35.989 -28.944 1.00 64.55 H ATOM 779 HG21 THR A 452 -51.071 36.028 -29.688 1.00 63.00 H ATOM 780 HG22 THR A 452 -51.581 34.902 -28.706 1.00 63.00 H ATOM 781 HG23 THR A 452 -50.644 36.053 -28.168 1.00 63.00 H ATOM 782 N ASN A 453 -47.121 32.648 -27.581 1.00 44.24 N ANISOU 782 N ASN A 453 6773 6155 3880 343 -510 322 N ATOM 783 CA ASN A 453 -46.092 31.637 -27.770 1.00 42.30 C ANISOU 783 CA ASN A 453 6500 5968 3604 174 -288 235 C ATOM 784 C ASN A 453 -46.576 30.335 -27.136 1.00 38.24 C ANISOU 784 C ASN A 453 5794 5564 3170 106 -389 -43 C ATOM 785 O ASN A 453 -46.614 30.210 -25.917 1.00 39.74 O ANISOU 785 O ASN A 453 5812 5682 3606 38 -408 -116 O ATOM 786 CB ASN A 453 -44.780 32.102 -27.137 1.00 43.49 C ANISOU 786 CB ASN A 453 6593 5892 4041 22 -87 357 C ATOM 787 CG ASN A 453 -43.686 31.054 -27.212 1.00 46.11 C ANISOU 787 CG ASN A 453 6797 6290 4430 -87 146 273 C ATOM 788 OD1 ASN A 453 -43.875 29.976 -27.776 1.00 42.88 O ANISOU 788 OD1 ASN A 453 6420 6051 3822 -23 172 86 O ATOM 789 ND2 ASN A 453 -42.524 31.375 -26.652 1.00 47.49 N ANISOU 789 ND2 ASN A 453 6826 6305 4912 -237 275 400 N ATOM 790 H ASN A 453 -47.029 33.113 -26.864 1.00 53.09 H ATOM 791 HA ASN A 453 -45.947 31.488 -28.717 1.00 50.76 H ATOM 792 HB2 ASN A 453 -44.469 32.894 -27.602 1.00 52.19 H ATOM 793 HB3 ASN A 453 -44.935 32.306 -26.202 1.00 52.19 H ATOM 794 HD21 ASN A 453 -41.870 30.816 -26.667 1.00 56.98 H ATOM 795 HD22 ASN A 453 -42.425 32.142 -26.274 1.00 56.98 H ATOM 796 N ARG A 454 -46.950 29.364 -27.961 1.00 36.41 N ANISOU 796 N ARG A 454 5634 5489 2711 109 -483 -187 N ATOM 797 CA ARG A 454 -47.569 28.150 -27.435 1.00 35.19 C ANISOU 797 CA ARG A 454 5316 5376 2678 -10 -664 -397 C ATOM 798 C ARG A 454 -46.561 27.164 -26.830 1.00 37.81 C ANISOU 798 C ARG A 454 5595 5554 3219 -131 -516 -518 C ATOM 799 O ARG A 454 -46.955 26.129 -26.291 1.00 41.45 O ANISOU 799 O ARG A 454 5948 5974 3829 -268 -673 -635 O ATOM 800 CB ARG A 454 -48.439 27.480 -28.499 1.00 38.23 C ANISOU 800 CB ARG A 454 5827 5905 2795 -1 -949 -531 C ATOM 801 CG ARG A 454 -49.771 28.194 -28.722 1.00 46.39 C ANISOU 801 CG ARG A 454 6743 7116 3768 88 -1237 -405 C ATOM 802 CD ARG A 454 -49.689 29.277 -29.800 1.00 46.82 C ANISOU 802 CD ARG A 454 7073 7222 3495 291 -1236 -219 C ATOM 803 NE ARG A 454 -50.828 30.192 -29.727 1.00 43.91 N ANISOU 803 NE ARG A 454 6535 6949 3199 453 -1485 -48 N ATOM 804 CZ ARG A 454 -51.154 31.076 -30.665 1.00 49.30 C ANISOU 804 CZ ARG A 454 7425 7680 3628 642 -1650 157 C ATOM 805 NH1 ARG A 454 -50.438 31.180 -31.779 1.00 52.73 N ANISOU 805 NH1 ARG A 454 8270 8124 3641 658 -1555 245 N ATOM 806 NH2 ARG A 454 -52.210 31.858 -30.491 1.00 52.45 N ANISOU 806 NH2 ARG A 454 7611 8136 4181 846 -1898 298 N ATOM 807 H ARG A 454 -46.859 29.380 -28.816 1.00 43.69 H ATOM 808 HA ARG A 454 -48.164 28.414 -26.716 1.00 42.23 H ATOM 809 HB2 ARG A 454 -47.958 27.476 -29.342 1.00 45.88 H ATOM 810 HB3 ARG A 454 -48.630 26.571 -28.222 1.00 45.88 H ATOM 811 HG2 ARG A 454 -50.436 27.544 -29.000 1.00 55.67 H ATOM 812 HG3 ARG A 454 -50.046 28.616 -27.893 1.00 55.67 H ATOM 813 HD2 ARG A 454 -48.876 29.791 -29.675 1.00 56.19 H ATOM 814 HD3 ARG A 454 -49.690 28.858 -30.675 1.00 56.19 H ATOM 815 HE ARG A 454 -51.323 30.155 -29.025 1.00 52.69 H ATOM 816 HH11 ARG A 454 -49.752 30.676 -31.898 1.00 63.27 H ATOM 817 HH12 ARG A 454 -50.658 31.754 -32.380 1.00 63.27 H ATOM 818 HH21 ARG A 454 -52.679 31.794 -29.772 1.00 62.94 H ATOM 819 HH22 ARG A 454 -52.427 32.430 -31.096 1.00 62.94 H ATOM 820 N SER A 455 -45.272 27.502 -26.894 1.00 38.62 N ANISOU 820 N SER A 455 5735 5560 3377 -95 -238 -439 N ATOM 821 CA SER A 455 -44.238 26.763 -26.161 1.00 36.59 C ANISOU 821 CA SER A 455 5347 5151 3406 -168 -126 -495 C ATOM 822 C SER A 455 -43.587 27.641 -25.090 1.00 37.82 C ANISOU 822 C SER A 455 5350 5195 3825 -253 -63 -315 C ATOM 823 O SER A 455 -42.472 27.369 -24.640 1.00 40.65 O ANISOU 823 O SER A 455 5576 5441 4426 -302 33 -280 O ATOM 824 CB SER A 455 -43.172 26.220 -27.117 1.00 35.72 C ANISOU 824 CB SER A 455 5324 5046 3200 -30 129 -583 C ATOM 825 OG SER A 455 -43.643 25.071 -27.801 1.00 41.85 O ANISOU 825 OG SER A 455 6294 5816 3789 47 -9 -867 O ATOM 826 H SER A 455 -44.968 28.159 -27.358 1.00 46.34 H ATOM 827 HA SER A 455 -44.650 26.007 -25.715 1.00 43.91 H ATOM 828 HB2 SER A 455 -42.952 26.906 -27.767 1.00 42.86 H ATOM 829 HB3 SER A 455 -42.382 25.982 -26.607 1.00 42.86 H ATOM 830 HG SER A 455 -43.050 24.783 -28.322 1.00 50.22 H ATOM 831 N CYS A 456 -44.291 28.689 -24.673 1.00 35.62 N ANISOU 831 N CYS A 456 5095 4927 3510 -249 -161 -222 N ATOM 832 CA CYS A 456 -43.776 29.600 -23.653 1.00 35.30 C ANISOU 832 CA CYS A 456 5014 4725 3672 -318 -182 -122 C ATOM 833 C CYS A 456 -43.579 28.855 -22.334 1.00 34.22 C ANISOU 833 C CYS A 456 4759 4541 3701 -435 -291 -200 C ATOM 834 O CYS A 456 -44.523 28.251 -21.828 1.00 39.49 O ANISOU 834 O CYS A 456 5390 5329 4285 -446 -386 -277 O ATOM 835 CB CYS A 456 -44.748 30.765 -23.446 1.00 32.60 C ANISOU 835 CB CYS A 456 4782 4372 3234 -198 -291 -94 C ATOM 836 SG CYS A 456 -44.155 32.043 -22.314 1.00 36.99 S ANISOU 836 SG CYS A 456 5438 4627 3990 -242 -389 -56 S ATOM 837 H CYS A 456 -45.073 28.896 -24.966 1.00 42.74 H ATOM 838 HA CYS A 456 -42.920 29.957 -23.938 1.00 42.36 H ATOM 839 HB2 CYS A 456 -44.915 31.186 -24.304 1.00 39.13 H ATOM 840 HB3 CYS A 456 -45.578 30.415 -23.087 1.00 39.13 H ATOM 841 N PRO A 457 -42.355 28.888 -21.774 1.00 33.43 N ANISOU 841 N PRO A 457 4574 4285 3840 -545 -297 -131 N ATOM 842 CA PRO A 457 -42.081 28.162 -20.527 1.00 31.59 C ANISOU 842 CA PRO A 457 4269 4003 3730 -653 -458 -159 C ATOM 843 C PRO A 457 -42.434 28.953 -19.276 1.00 40.88 C ANISOU 843 C PRO A 457 5570 5148 4814 -687 -620 -187 C ATOM 844 O PRO A 457 -42.411 28.410 -18.174 1.00 37.23 O ANISOU 844 O PRO A 457 5115 4708 4323 -768 -758 -191 O ATOM 845 CB PRO A 457 -40.571 27.950 -20.585 1.00 31.93 C ANISOU 845 CB PRO A 457 4131 3911 4090 -722 -438 -58 C ATOM 846 CG PRO A 457 -40.072 29.140 -21.317 1.00 36.71 C ANISOU 846 CG PRO A 457 4730 4465 4752 -738 -306 68 C ATOM 847 CD PRO A 457 -41.119 29.450 -22.354 1.00 35.71 C ANISOU 847 CD PRO A 457 4779 4471 4317 -596 -162 27 C ATOM 848 HA PRO A 457 -42.535 27.305 -20.518 1.00 37.91 H ATOM 849 HB2 PRO A 457 -40.207 27.917 -19.687 1.00 38.32 H ATOM 850 HB3 PRO A 457 -40.370 27.135 -21.072 1.00 38.32 H ATOM 851 HG2 PRO A 457 -39.973 29.883 -20.700 1.00 44.05 H ATOM 852 HG3 PRO A 457 -39.224 28.931 -21.739 1.00 44.05 H ATOM 853 HD2 PRO A 457 -41.206 30.409 -22.471 1.00 42.85 H ATOM 854 HD3 PRO A 457 -40.907 29.007 -23.191 1.00 42.85 H ATOM 855 N PHE A 458 -42.751 30.229 -19.435 1.00 37.08 N ANISOU 855 N PHE A 458 5233 4597 4256 -601 -616 -209 N ATOM 856 CA PHE A 458 -43.021 31.060 -18.275 1.00 39.94 C ANISOU 856 CA PHE A 458 5792 4880 4505 -560 -774 -318 C ATOM 857 C PHE A 458 -44.388 30.747 -17.666 1.00 38.16 C ANISOU 857 C PHE A 458 5586 4938 3977 -404 -700 -429 C ATOM 858 O PHE A 458 -45.144 29.932 -18.194 1.00 35.86 O ANISOU 858 O PHE A 458 5124 4869 3632 -388 -581 -384 O ATOM 859 CB PHE A 458 -42.865 32.528 -18.647 1.00 42.06 C ANISOU 859 CB PHE A 458 6247 4881 4853 -497 -836 -317 C ATOM 860 CG PHE A 458 -41.442 32.909 -18.941 1.00 45.68 C ANISOU 860 CG PHE A 458 6633 5072 5650 -741 -932 -143 C ATOM 861 CD1 PHE A 458 -40.935 32.815 -20.225 1.00 41.81 C ANISOU 861 CD1 PHE A 458 5967 4612 5306 -802 -724 74 C ATOM 862 CD2 PHE A 458 -40.600 33.323 -17.923 1.00 46.93 C ANISOU 862 CD2 PHE A 458 6875 4991 5964 -921 -1232 -180 C ATOM 863 CE1 PHE A 458 -39.619 33.152 -20.493 1.00 43.37 C ANISOU 863 CE1 PHE A 458 5992 4641 5845 -1040 -743 298 C ATOM 864 CE2 PHE A 458 -39.284 33.658 -18.184 1.00 48.47 C ANISOU 864 CE2 PHE A 458 6895 4968 6554 -1196 -1349 32 C ATOM 865 CZ PHE A 458 -38.794 33.573 -19.472 1.00 49.71 C ANISOU 865 CZ PHE A 458 6792 5195 6901 -1258 -1068 296 C ATOM 866 H PHE A 458 -42.815 30.633 -20.191 1.00 44.49 H ATOM 867 HA PHE A 458 -42.354 30.862 -17.599 1.00 47.93 H ATOM 868 HB2 PHE A 458 -43.393 32.710 -19.440 1.00 50.47 H ATOM 869 HB3 PHE A 458 -43.175 33.075 -17.909 1.00 50.47 H ATOM 870 HD1 PHE A 458 -41.488 32.533 -20.917 1.00 50.17 H ATOM 871 HD2 PHE A 458 -40.925 33.384 -17.054 1.00 56.31 H ATOM 872 HE1 PHE A 458 -39.292 33.092 -21.361 1.00 52.04 H ATOM 873 HE2 PHE A 458 -38.730 33.943 -17.493 1.00 58.16 H ATOM 874 HZ PHE A 458 -37.910 33.799 -19.650 1.00 59.65 H ATOM 875 N LEU A 459 -44.681 31.378 -16.538 1.00 34.11 N ANISOU 875 N LEU A 459 5273 4426 3263 -298 -775 -573 N ATOM 876 CA LEU A 459 -45.882 31.083 -15.766 1.00 38.46 C ANISOU 876 CA LEU A 459 5792 5327 3494 -142 -630 -643 C ATOM 877 C LEU A 459 -47.026 31.994 -16.196 1.00 42.71 C ANISOU 877 C LEU A 459 6325 5961 3945 202 -492 -758 C ATOM 878 O LEU A 459 -46.896 33.216 -16.169 1.00 45.79 O ANISOU 878 O LEU A 459 6971 6076 4351 401 -585 -912 O ATOM 879 CB LEU A 459 -45.584 31.273 -14.276 1.00 39.70 C ANISOU 879 CB LEU A 459 6211 5495 3376 -142 -746 -764 C ATOM 880 CG LEU A 459 -46.714 31.047 -13.269 1.00 41.45 C ANISOU 880 CG LEU A 459 6434 6151 3164 37 -522 -816 C ATOM 881 CD1 LEU A 459 -47.156 29.593 -13.269 1.00 47.43 C ANISOU 881 CD1 LEU A 459 6870 7227 3926 -201 -389 -525 C ATOM 882 CD2 LEU A 459 -46.268 31.473 -11.881 1.00 48.84 C ANISOU 882 CD2 LEU A 459 7773 7055 3729 85 -673 -996 C ATOM 883 H LEU A 459 -44.190 31.993 -16.190 1.00 40.94 H ATOM 884 HA LEU A 459 -46.147 30.162 -15.915 1.00 46.15 H ATOM 885 HB2 LEU A 459 -44.870 30.661 -14.037 1.00 47.63 H ATOM 886 HB3 LEU A 459 -45.273 32.183 -14.150 1.00 47.63 H ATOM 887 HG LEU A 459 -47.475 31.593 -13.520 1.00 49.74 H ATOM 888 HD11 LEU A 459 -47.871 29.480 -12.624 1.00 56.92 H ATOM 889 HD12 LEU A 459 -47.471 29.359 -14.157 1.00 56.92 H ATOM 890 HD13 LEU A 459 -46.401 29.034 -13.029 1.00 56.92 H ATOM 891 HD21 LEU A 459 -46.995 31.324 -11.257 1.00 58.61 H ATOM 892 HD22 LEU A 459 -45.496 30.946 -11.623 1.00 58.61 H ATOM 893 HD23 LEU A 459 -46.035 32.415 -11.900 1.00 58.61 H ATOM 894 N HIS A 460 -48.144 31.390 -16.588 1.00 43.57 N ANISOU 894 N HIS A 460 6128 6421 4007 267 -320 -667 N ATOM 895 CA HIS A 460 -49.305 32.136 -17.067 1.00 45.27 C ANISOU 895 CA HIS A 460 6225 6778 4197 617 -221 -729 C ATOM 896 C HIS A 460 -50.475 32.052 -16.098 1.00 52.39 C ANISOU 896 C HIS A 460 6928 8131 4848 847 20 -783 C ATOM 897 O HIS A 460 -50.642 31.052 -15.402 1.00 50.65 O ANISOU 897 O HIS A 460 6543 8207 4493 625 136 -652 O ATOM 898 CB HIS A 460 -49.734 31.599 -18.433 1.00 43.35 C ANISOU 898 CB HIS A 460 5723 6622 4127 522 -263 -562 C ATOM 899 CG HIS A 460 -48.639 31.622 -19.451 1.00 41.29 C ANISOU 899 CG HIS A 460 5637 6026 4026 341 -397 -492 C ATOM 900 ND1 HIS A 460 -47.740 30.588 -19.603 1.00 36.40 N ANISOU 900 ND1 HIS A 460 4999 5337 3494 29 -425 -417 N ATOM 901 CD2 HIS A 460 -48.280 32.568 -20.349 1.00 39.45 C ANISOU 901 CD2 HIS A 460 5589 5524 3876 447 -476 -455 C ATOM 902 CE1 HIS A 460 -46.883 30.891 -20.560 1.00 44.81 C ANISOU 902 CE1 HIS A 460 6188 6170 4668 -22 -459 -359 C ATOM 903 NE2 HIS A 460 -47.189 32.088 -21.030 1.00 41.82 N ANISOU 903 NE2 HIS A 460 5940 5675 4274 190 -488 -348 N ATOM 904 H HIS A 460 -48.258 30.538 -16.585 1.00 52.29 H ATOM 905 HA HIS A 460 -49.063 33.070 -17.171 1.00 54.32 H ATOM 906 HB2 HIS A 460 -50.027 30.680 -18.331 1.00 52.02 H ATOM 907 HB3 HIS A 460 -50.465 32.142 -18.769 1.00 52.02 H ATOM 908 HD1 HIS A 460 -47.741 29.857 -19.148 1.00 43.68 H ATOM 909 HD2 HIS A 460 -48.698 33.388 -20.485 1.00 47.34 H ATOM 910 HE1 HIS A 460 -46.183 30.354 -20.855 1.00 53.77 H ATOM 911 N GLU A 461 -51.280 33.112 -16.064 1.00 57.87 N ANISOU 911 N GLU A 461 7627 8873 5488 1311 111 -948 N ATOM 912 CA GLU A 461 -52.521 33.134 -15.296 1.00 59.79 C ANISOU 912 CA GLU A 461 7573 9628 5516 1636 426 -995 C ATOM 913 C GLU A 461 -53.676 32.690 -16.186 1.00 64.46 C ANISOU 913 C GLU A 461 7588 10573 6331 1656 474 -771 C ATOM 914 O GLU A 461 -53.532 32.635 -17.408 1.00 57.87 O ANISOU 914 O GLU A 461 6721 9520 5745 1524 223 -664 O ATOM 915 CB GLU A 461 -52.801 34.546 -14.781 1.00 62.07 C ANISOU 915 CB GLU A 461 8162 9760 5661 2230 491 -1344 C ATOM 916 CG GLU A 461 -51.741 35.088 -13.842 1.00 80.59 C ANISOU 916 CG GLU A 461 11126 11724 7769 2220 355 -1624 C ATOM 917 CD GLU A 461 -52.056 36.490 -13.358 1.00 99.29 C ANISOU 917 CD GLU A 461 13876 13847 10004 2837 361 -2040 C ATOM 918 OE1 GLU A 461 -52.914 37.156 -13.977 1.00105.09 O ANISOU 918 OE1 GLU A 461 14420 14573 10937 3276 412 -2077 O ATOM 919 OE2 GLU A 461 -51.449 36.925 -12.358 1.00108.56 O ANISOU 919 OE2 GLU A 461 15566 14805 10876 2905 268 -2345 O ATOM 920 H GLU A 461 -51.124 33.845 -16.486 1.00 69.44 H ATOM 921 HA GLU A 461 -52.455 32.529 -14.541 1.00 71.75 H ATOM 922 HB2 GLU A 461 -52.860 35.148 -15.539 1.00 74.48 H ATOM 923 HB3 GLU A 461 -53.645 34.540 -14.301 1.00 74.48 H ATOM 924 HG2 GLU A 461 -51.678 34.509 -13.066 1.00 96.70 H ATOM 925 HG3 GLU A 461 -50.890 35.114 -14.307 1.00 96.70 H ATOM 926 N GLU A 462 -54.822 32.385 -15.581 1.00 67.21 N ANISOU 926 N GLU A 462 7470 11495 6572 1814 786 -683 N ATOM 927 CA GLU A 462 -55.994 31.991 -16.353 1.00 74.50 C ANISOU 927 CA GLU A 462 7756 12789 7763 1811 777 -448 C ATOM 928 C GLU A 462 -56.443 33.154 -17.233 1.00 78.30 C ANISOU 928 C GLU A 462 8233 13074 8444 2310 603 -576 C ATOM 929 O GLU A 462 -56.695 34.257 -16.745 1.00 83.37 O ANISOU 929 O GLU A 462 9028 13661 8989 2884 752 -827 O ATOM 930 CB GLU A 462 -57.134 31.519 -15.441 1.00 83.85 C ANISOU 930 CB GLU A 462 8349 14680 8829 1883 1198 -275 C ATOM 931 CG GLU A 462 -57.702 32.579 -14.507 1.00100.20 C ANISOU 931 CG GLU A 462 10420 17024 10629 2579 1602 -541 C ATOM 932 CD GLU A 462 -58.787 32.027 -13.596 1.00109.66 C ANISOU 932 CD GLU A 462 10974 19030 11663 2624 2122 -306 C ATOM 933 OE1 GLU A 462 -59.083 32.661 -12.560 1.00105.92 O ANISOU 933 OE1 GLU A 462 10651 18741 10852 3077 2497 -520 O ATOM 934 OE2 GLU A 462 -59.347 30.957 -13.919 1.00115.06 O ANISOU 934 OE2 GLU A 462 11071 20047 12599 2131 2092 115 O ATOM 935 H GLU A 462 -54.945 32.399 -14.730 1.00 80.65 H ATOM 936 HA GLU A 462 -55.753 31.253 -16.935 1.00 89.41 H ATOM 937 HB2 GLU A 462 -57.861 31.201 -15.998 1.00100.62 H ATOM 938 HB3 GLU A 462 -56.805 30.791 -14.891 1.00100.62 H ATOM 939 HG2 GLU A 462 -56.988 32.925 -13.949 1.00120.24 H ATOM 940 HG3 GLU A 462 -58.088 33.294 -15.036 1.00120.24 H ATOM 941 N GLY A 463 -56.509 32.903 -18.537 1.00 70.81 N ANISOU 941 N GLY A 463 7176 11980 7747 2108 254 -413 N ATOM 942 CA GLY A 463 -56.943 33.907 -19.492 1.00 67.86 C ANISOU 942 CA GLY A 463 6809 11420 7553 2526 13 -437 C ATOM 943 C GLY A 463 -55.802 34.679 -20.131 1.00 63.82 C ANISOU 943 C GLY A 463 6971 10254 7024 2527 -238 -532 C ATOM 944 O GLY A 463 -56.023 35.460 -21.055 1.00 69.76 O ANISOU 944 O GLY A 463 7819 10782 7906 2791 -492 -472 O ATOM 945 H GLY A 463 -56.304 32.148 -18.895 1.00 84.97 H ATOM 946 HA2 GLY A 463 -57.450 33.477 -20.198 1.00 81.43 H ATOM 947 HA3 GLY A 463 -57.524 34.542 -19.044 1.00 81.43 H ATOM 948 N GLN A 464 -54.581 34.465 -19.650 1.00 53.71 N ANISOU 948 N GLN A 464 6128 8678 5603 2214 -185 -627 N ATOM 949 CA GLN A 464 -53.424 35.183 -20.181 1.00 53.60 C ANISOU 949 CA GLN A 464 6672 8075 5620 2145 -387 -659 C ATOM 950 C GLN A 464 -53.002 34.647 -21.548 1.00 53.30 C ANISOU 950 C GLN A 464 6670 7947 5636 1796 -607 -431 C ATOM 951 O GLN A 464 -52.410 35.369 -22.351 1.00 57.72 O ANISOU 951 O GLN A 464 7568 8130 6234 1818 -771 -343 O ATOM 952 CB GLN A 464 -52.246 35.107 -19.208 1.00 50.66 C ANISOU 952 CB GLN A 464 6668 7455 5125 1909 -300 -810 C ATOM 953 CG GLN A 464 -51.017 35.862 -19.692 1.00 49.65 C ANISOU 953 CG GLN A 464 7020 6738 5106 1773 -509 -791 C ATOM 954 CD GLN A 464 -49.948 35.996 -18.629 1.00 48.86 C ANISOU 954 CD GLN A 464 7249 6374 4940 1595 -516 -962 C ATOM 955 OE1 GLN A 464 -50.065 35.439 -17.538 1.00 51.17 O ANISOU 955 OE1 GLN A 464 7471 6936 5034 1565 -366 -1093 O ATOM 956 NE2 GLN A 464 -48.896 36.742 -18.942 1.00 52.47 N ANISOU 956 NE2 GLN A 464 8063 6312 5562 1447 -719 -921 N ATOM 957 H GLN A 464 -54.395 33.911 -19.019 1.00 64.46 H ATOM 958 HA GLN A 464 -53.660 36.118 -20.289 1.00 64.33 H ATOM 959 HB2 GLN A 464 -52.515 35.489 -18.358 1.00 60.79 H ATOM 960 HB3 GLN A 464 -51.997 34.177 -19.088 1.00 60.79 H ATOM 961 HG2 GLN A 464 -50.632 35.387 -20.445 1.00 59.58 H ATOM 962 HG3 GLN A 464 -51.282 36.755 -19.964 1.00 59.58 H ATOM 963 HE21 GLN A 464 -48.850 37.117 -19.714 1.00 62.97 H ATOM 964 HE22 GLN A 464 -48.261 36.850 -18.373 1.00 62.97 H ATOM 965 N ARG A 465 -53.304 33.380 -21.807 1.00 53.24 N ANISOU 965 N ARG A 465 6344 8274 5610 1472 -611 -332 N ATOM 966 CA ARG A 465 -52.976 32.764 -23.086 1.00 56.78 C ANISOU 966 CA ARG A 465 6871 8670 6032 1190 -818 -199 C ATOM 967 C ARG A 465 -53.888 33.310 -24.173 1.00 61.20 C ANISOU 967 C ARG A 465 7327 9317 6611 1451 -1082 -71 C ATOM 968 O ARG A 465 -55.080 33.516 -23.943 1.00 72.22 O ANISOU 968 O ARG A 465 8319 11000 8122 1723 -1124 -50 O ATOM 969 CB ARG A 465 -53.135 31.248 -23.004 1.00 59.03 C ANISOU 969 CB ARG A 465 6896 9209 6323 796 -826 -180 C ATOM 970 CG ARG A 465 -52.186 30.570 -22.035 1.00 55.82 C ANISOU 970 CG ARG A 465 6611 8695 5903 521 -637 -247 C ATOM 971 CD ARG A 465 -50.850 30.276 -22.676 1.00 54.22 C ANISOU 971 CD ARG A 465 6757 8174 5669 314 -672 -264 C ATOM 972 NE ARG A 465 -50.127 29.251 -21.937 1.00 53.70 N ANISOU 972 NE ARG A 465 6697 8051 5653 26 -593 -290 N ATOM 973 CZ ARG A 465 -49.044 28.623 -22.382 1.00 45.97 C ANISOU 973 CZ ARG A 465 5896 6863 4706 -154 -604 -312 C ATOM 974 NH1 ARG A 465 -48.541 28.908 -23.575 1.00 39.33 N ANISOU 974 NH1 ARG A 465 5248 5905 3791 -94 -624 -310 N ATOM 975 NH2 ARG A 465 -48.460 27.705 -21.626 1.00 44.76 N ANISOU 975 NH2 ARG A 465 5724 6638 4645 -363 -578 -314 N ATOM 976 H ARG A 465 -53.702 32.853 -21.256 1.00 63.89 H ATOM 977 HA ARG A 465 -52.057 32.968 -23.320 1.00 68.14 H ATOM 978 HB2 ARG A 465 -54.041 31.046 -22.719 1.00 70.83 H ATOM 979 HB3 ARG A 465 -52.977 30.871 -23.883 1.00 70.83 H ATOM 980 HG2 ARG A 465 -52.036 31.153 -21.274 1.00 66.98 H ATOM 981 HG3 ARG A 465 -52.574 29.730 -21.743 1.00 66.98 H ATOM 982 HD2 ARG A 465 -50.992 29.956 -23.581 1.00 65.06 H ATOM 983 HD3 ARG A 465 -50.313 31.083 -22.684 1.00 65.06 H ATOM 984 HE ARG A 465 -50.421 29.037 -21.157 1.00 64.43 H ATOM 985 HH11 ARG A 465 -48.917 29.504 -24.069 1.00 47.20 H ATOM 986 HH12 ARG A 465 -47.840 28.497 -23.856 1.00 47.20 H ATOM 987 HH21 ARG A 465 -48.783 27.517 -20.851 1.00 53.71 H ATOM 988 HH22 ARG A 465 -47.759 27.296 -21.910 1.00 53.71 H ATOM 989 N GLY A 466 -53.322 33.537 -25.354 1.00 53.75 N ANISOU 989 N GLY A 466 6723 8160 5539 1381 -1252 45 N ATOM 990 CA GLY A 466 -54.069 34.074 -26.476 1.00 60.03 C ANISOU 990 CA GLY A 466 7520 9009 6279 1610 -1568 216 C ATOM 991 C GLY A 466 -53.757 33.361 -27.778 1.00 51.17 C ANISOU 991 C GLY A 466 6613 7947 4884 1343 -1768 297 C ATOM 992 O GLY A 466 -54.307 33.719 -28.820 1.00 59.58 O ANISOU 992 O GLY A 466 7756 9077 5805 1491 -2086 458 O ATOM 993 H GLY A 466 -52.494 33.384 -25.530 1.00 64.50 H ATOM 994 HA2 GLY A 466 -55.019 33.991 -26.300 1.00 72.03 H ATOM 995 HA3 GLY A 466 -53.858 35.015 -26.583 1.00 72.03 H TER 996 GLY A 466 ATOM 997 N GLU B 402 -19.927 31.315 7.405 1.00120.14 N ANISOU 997 N GLU B 402 14593 20195 10858 -572 -591 1283 N ATOM 998 CA GLU B 402 -19.659 32.088 6.198 1.00113.73 C ANISOU 998 CA GLU B 402 13666 19039 10508 -805 -664 881 C ATOM 999 C GLU B 402 -20.132 33.529 6.342 1.00110.93 C ANISOU 999 C GLU B 402 13488 18664 9997 -836 -447 436 C ATOM 1000 O GLU B 402 -21.260 33.786 6.765 1.00112.13 O ANISOU 1000 O GLU B 402 13761 18852 9991 -703 -66 581 O ATOM 1001 CB GLU B 402 -20.336 31.441 4.989 1.00109.86 C ANISOU 1001 CB GLU B 402 12963 18131 10646 -901 -533 1185 C ATOM 1002 CG GLU B 402 -19.502 30.362 4.321 1.00110.05 C ANISOU 1002 CG GLU B 402 12823 18010 10980 -932 -845 1376 C ATOM 1003 CD GLU B 402 -20.325 29.463 3.422 1.00112.89 C ANISOU 1003 CD GLU B 402 13058 17985 11851 -974 -738 1757 C ATOM 1004 OE1 GLU B 402 -21.394 29.907 2.951 1.00113.32 O ANISOU 1004 OE1 GLU B 402 13080 17834 12143 -1052 -471 1768 O ATOM 1005 OE2 GLU B 402 -19.905 28.310 3.192 1.00114.31 O ANISOU 1005 OE2 GLU B 402 13179 18058 12196 -924 -939 2048 O ATOM 1006 HA GLU B 402 -18.703 32.101 6.036 1.00136.48 H ATOM 1007 HB2 GLU B 402 -21.169 31.035 5.278 1.00131.83 H ATOM 1008 HB3 GLU B 402 -20.517 32.127 4.328 1.00131.83 H ATOM 1009 HG2 GLU B 402 -18.816 30.783 3.779 1.00132.06 H ATOM 1010 HG3 GLU B 402 -19.093 29.809 5.005 1.00132.06 H ATOM 1011 N GLN B 403 -19.256 34.463 5.984 1.00105.70 N ANISOU 1011 N GLN B 403 12828 17932 9402 -1001 -683 -76 N ATOM 1012 CA GLN B 403 -19.578 35.885 6.015 1.00102.00 C ANISOU 1012 CA GLN B 403 12536 17363 8856 -1056 -519 -545 C ATOM 1013 C GLN B 403 -20.420 36.287 4.806 1.00 97.18 C ANISOU 1013 C GLN B 403 11772 16351 8802 -1158 -211 -522 C ATOM 1014 O GLN B 403 -20.503 35.549 3.824 1.00 83.81 O ANISOU 1014 O GLN B 403 9828 14444 7573 -1231 -230 -245 O ATOM 1015 CB GLN B 403 -18.292 36.714 6.047 1.00 97.64 C ANISOU 1015 CB GLN B 403 12006 16842 8248 -1235 -924 -1065 C ATOM 1016 CG GLN B 403 -17.801 37.055 7.444 1.00106.92 C ANISOU 1016 CG GLN B 403 13489 18399 8739 -1130 -1150 -1325 C ATOM 1017 CD GLN B 403 -18.618 38.154 8.097 1.00114.35 C ANISOU 1017 CD GLN B 403 14807 19331 9311 -1005 -862 -1655 C ATOM 1018 OE1 GLN B 403 -19.685 38.525 7.606 1.00110.66 O ANISOU 1018 OE1 GLN B 403 14350 18620 9075 -956 -429 -1581 O ATOM 1019 NE2 GLN B 403 -18.116 38.687 9.207 1.00119.66 N ANISOU 1019 NE2 GLN B 403 15805 20271 9391 -933 -1112 -2024 N ATOM 1020 H GLN B 403 -18.457 34.295 5.715 1.00126.84 H ATOM 1021 HA GLN B 403 -20.086 36.081 6.818 1.00122.40 H ATOM 1022 HB2 GLN B 403 -17.590 36.216 5.600 1.00117.16 H ATOM 1023 HB3 GLN B 403 -18.449 37.549 5.578 1.00117.16 H ATOM 1024 HG2 GLN B 403 -17.861 36.263 8.002 1.00128.31 H ATOM 1025 HG3 GLN B 403 -16.880 37.355 7.391 1.00128.31 H ATOM 1026 HE21 GLN B 403 -17.365 38.405 9.518 1.00143.60 H ATOM 1027 HE22 GLN B 403 -18.542 39.313 9.614 1.00143.60 H ATOM 1028 N ASP B 404 -21.039 37.462 4.888 1.00104.51 N ANISOU 1028 N ASP B 404 12874 17176 9660 -1141 61 -823 N ATOM 1029 CA ASP B 404 -21.889 37.975 3.816 1.00101.97 C ANISOU 1029 CA ASP B 404 12415 16509 9819 -1211 379 -807 C ATOM 1030 C ASP B 404 -21.071 38.450 2.625 1.00 92.22 C ANISOU 1030 C ASP B 404 10969 14995 9076 -1441 166 -1083 C ATOM 1031 O ASP B 404 -19.922 38.862 2.777 1.00 92.79 O ANISOU 1031 O ASP B 404 11057 15119 9081 -1560 -169 -1414 O ATOM 1032 CB ASP B 404 -22.750 39.129 4.330 1.00110.41 C ANISOU 1032 CB ASP B 404 13754 17564 10632 -1077 756 -1038 C ATOM 1033 CG ASP B 404 -23.675 38.709 5.452 1.00122.56 C ANISOU 1033 CG ASP B 404 15485 19398 11686 -786 1055 -702 C ATOM 1034 OD1 ASP B 404 -23.321 37.771 6.196 1.00130.48 O ANISOU 1034 OD1 ASP B 404 16513 20688 12375 -693 873 -454 O ATOM 1035 OD2 ASP B 404 -24.758 39.317 5.589 1.00124.58 O ANISOU 1035 OD2 ASP B 404 15852 19610 11873 -622 1494 -649 O ATOM 1036 H ASP B 404 -20.981 37.989 5.565 1.00125.41 H ATOM 1037 HA ASP B 404 -22.480 37.269 3.513 1.00122.36 H ATOM 1038 HB2 ASP B 404 -22.171 39.831 4.666 1.00132.49 H ATOM 1039 HB3 ASP B 404 -23.294 39.467 3.602 1.00132.49 H ATOM 1040 N CYS B 405 -21.673 38.393 1.440 1.00 79.13 N ANISOU 1040 N CYS B 405 9096 13056 7915 -1493 356 -916 N ATOM 1041 CA CYS B 405 -21.021 38.884 0.233 1.00 72.81 C ANISOU 1041 CA CYS B 405 8087 11998 7580 -1654 229 -1126 C ATOM 1042 C CYS B 405 -21.054 40.403 0.183 1.00 73.09 C ANISOU 1042 C CYS B 405 8237 11879 7657 -1722 385 -1557 C ATOM 1043 O CYS B 405 -22.118 41.018 0.262 1.00 70.97 O ANISOU 1043 O CYS B 405 8086 11521 7360 -1632 763 -1565 O ATOM 1044 CB CYS B 405 -21.687 38.319 -1.021 1.00 70.47 C ANISOU 1044 CB CYS B 405 7556 11468 7751 -1652 366 -814 C ATOM 1045 SG CYS B 405 -20.952 38.931 -2.556 1.00 62.93 S ANISOU 1045 SG CYS B 405 6353 10235 7324 -1767 270 -1023 S ATOM 1046 H CYS B 405 -22.461 38.074 1.310 1.00 94.96 H ATOM 1047 HA CYS B 405 -20.093 38.601 0.236 1.00 87.37 H ATOM 1048 HB2 CYS B 405 -21.602 37.352 -1.014 1.00 84.56 H ATOM 1049 HB3 CYS B 405 -22.624 38.568 -1.019 1.00 84.56 H ATOM 1050 N LYS B 406 -19.875 40.999 0.047 1.00 73.54 N ANISOU 1050 N LYS B 406 8243 11891 7809 -1879 91 -1889 N ATOM 1051 CA LYS B 406 -19.741 42.446 -0.042 1.00 74.02 C ANISOU 1051 CA LYS B 406 8400 11743 7982 -1986 174 -2311 C ATOM 1052 C LYS B 406 -20.350 42.988 -1.334 1.00 70.25 C ANISOU 1052 C LYS B 406 7728 10951 8012 -1996 489 -2246 C ATOM 1053 O LYS B 406 -20.772 44.144 -1.393 1.00 64.61 O ANISOU 1053 O LYS B 406 7134 10033 7381 -2007 734 -2492 O ATOM 1054 CB LYS B 406 -18.260 42.830 0.030 1.00 80.67 C ANISOU 1054 CB LYS B 406 9149 12603 8900 -2193 -270 -2598 C ATOM 1055 CG LYS B 406 -17.968 44.286 -0.300 1.00 89.21 C ANISOU 1055 CG LYS B 406 10249 13385 10263 -2363 -239 -2993 C ATOM 1056 CD LYS B 406 -16.495 44.610 -0.127 1.00 97.31 C ANISOU 1056 CD LYS B 406 11145 14446 11383 -2603 -725 -3225 C ATOM 1057 CE LYS B 406 -16.233 46.095 -0.320 1.00102.98 C ANISOU 1057 CE LYS B 406 11910 14823 12393 -2802 -720 -3623 C ATOM 1058 NZ LYS B 406 -14.920 46.509 0.243 1.00110.77 N ANISOU 1058 NZ LYS B 406 12863 15860 13365 -3066 -1248 -3910 N ATOM 1059 H LYS B 406 -19.125 40.579 0.004 1.00 88.25 H ATOM 1060 HA LYS B 406 -20.199 42.857 0.707 1.00 88.83 H ATOM 1061 HB2 LYS B 406 -17.939 42.662 0.930 1.00 96.81 H ATOM 1062 HB3 LYS B 406 -17.766 42.281 -0.599 1.00 96.81 H ATOM 1063 HG2 LYS B 406 -18.211 44.460 -1.223 1.00107.06 H ATOM 1064 HG3 LYS B 406 -18.478 44.857 0.295 1.00107.06 H ATOM 1065 HD2 LYS B 406 -16.216 44.366 0.769 1.00116.77 H ATOM 1066 HD3 LYS B 406 -15.979 44.121 -0.786 1.00116.77 H ATOM 1067 HE2 LYS B 406 -16.232 46.297 -1.269 1.00123.57 H ATOM 1068 HE3 LYS B 406 -16.928 46.602 0.128 1.00123.57 H ATOM 1069 HZ1 LYS B 406 -14.795 47.381 0.115 1.00132.92 H ATOM 1070 HZ2 LYS B 406 -14.897 46.339 1.117 1.00132.92 H ATOM 1071 HZ3 LYS B 406 -14.263 46.061 -0.156 1.00132.92 H ATOM 1072 N TYR B 407 -20.403 42.144 -2.361 1.00 68.75 N ANISOU 1072 N TYR B 407 7262 10718 8144 -1970 477 -1916 N ATOM 1073 CA TYR B 407 -20.714 42.595 -3.716 1.00 63.26 C ANISOU 1073 CA TYR B 407 6342 9760 7933 -1975 683 -1858 C ATOM 1074 C TYR B 407 -22.180 42.404 -4.099 1.00 58.31 C ANISOU 1074 C TYR B 407 5713 9060 7380 -1842 1058 -1589 C ATOM 1075 O TYR B 407 -22.695 43.109 -4.966 1.00 59.21 O ANISOU 1075 O TYR B 407 5719 8972 7804 -1822 1315 -1598 O ATOM 1076 CB TYR B 407 -19.811 41.869 -4.715 1.00 61.26 C ANISOU 1076 CB TYR B 407 5802 9496 7977 -1991 422 -1690 C ATOM 1077 CG TYR B 407 -18.335 42.074 -4.451 1.00 67.47 C ANISOU 1077 CG TYR B 407 6503 10370 8763 -2122 61 -1881 C ATOM 1078 CD1 TYR B 407 -17.684 43.222 -4.890 1.00 66.85 C ANISOU 1078 CD1 TYR B 407 6295 10121 8985 -2256 51 -2117 C ATOM 1079 CD2 TYR B 407 -17.593 41.124 -3.762 1.00 70.18 C ANISOU 1079 CD2 TYR B 407 6865 10966 8835 -2116 -274 -1786 C ATOM 1080 CE1 TYR B 407 -16.338 43.417 -4.648 1.00 68.83 C ANISOU 1080 CE1 TYR B 407 6413 10453 9286 -2407 -304 -2246 C ATOM 1081 CE2 TYR B 407 -16.246 41.309 -3.516 1.00 74.29 C ANISOU 1081 CE2 TYR B 407 7261 11595 9369 -2241 -622 -1921 C ATOM 1082 CZ TYR B 407 -15.624 42.457 -3.962 1.00 75.82 C ANISOU 1082 CZ TYR B 407 7303 11620 9886 -2399 -646 -2146 C ATOM 1083 OH TYR B 407 -14.283 42.645 -3.720 1.00 86.41 O ANISOU 1083 OH TYR B 407 8468 13072 11291 -2553 -1018 -2235 O ATOM 1084 H TYR B 407 -20.261 41.298 -2.299 1.00 82.51 H ATOM 1085 HA TYR B 407 -20.516 43.542 -3.778 1.00 75.91 H ATOM 1086 HB2 TYR B 407 -19.993 40.917 -4.669 1.00 73.51 H ATOM 1087 HB3 TYR B 407 -20.003 42.198 -5.608 1.00 73.51 H ATOM 1088 HD1 TYR B 407 -18.164 43.871 -5.352 1.00 80.22 H ATOM 1089 HD2 TYR B 407 -18.010 40.349 -3.460 1.00 84.22 H ATOM 1090 HE1 TYR B 407 -15.916 44.190 -4.948 1.00 82.59 H ATOM 1091 HE2 TYR B 407 -15.761 40.664 -3.054 1.00 89.14 H ATOM 1092 HH TYR B 407 -13.973 41.990 -3.296 1.00103.69 H ATOM 1093 N TRP B 408 -22.845 41.451 -3.457 1.00 58.74 N ANISOU 1093 N TRP B 408 5858 9288 7172 -1753 1085 -1313 N ATOM 1094 CA TRP B 408 -24.263 41.203 -3.696 1.00 59.66 C ANISOU 1094 CA TRP B 408 5935 9365 7367 -1650 1411 -996 C ATOM 1095 C TRP B 408 -25.063 42.487 -3.459 1.00 62.57 C ANISOU 1095 C TRP B 408 6434 9645 7694 -1579 1821 -1164 C ATOM 1096 O TRP B 408 -24.771 43.228 -2.522 1.00 65.65 O ANISOU 1096 O TRP B 408 7080 10088 7775 -1560 1854 -1471 O ATOM 1097 CB TRP B 408 -24.745 40.092 -2.761 1.00 59.49 C ANISOU 1097 CB TRP B 408 6003 9565 7034 -1576 1377 -671 C ATOM 1098 CG TRP B 408 -26.135 39.628 -3.032 1.00 55.02 C ANISOU 1098 CG TRP B 408 5323 8967 6617 -1509 1641 -252 C ATOM 1099 CD1 TRP B 408 -26.516 38.615 -3.864 1.00 52.44 C ANISOU 1099 CD1 TRP B 408 4790 8535 6600 -1554 1513 84 C ATOM 1100 CD2 TRP B 408 -27.340 40.164 -2.476 1.00 58.46 C ANISOU 1100 CD2 TRP B 408 5832 9470 6912 -1382 2066 -108 C ATOM 1101 NE1 TRP B 408 -27.882 38.484 -3.856 1.00 55.78 N ANISOU 1101 NE1 TRP B 408 5119 8956 7118 -1509 1797 443 N ATOM 1102 CE2 TRP B 408 -28.412 39.422 -3.010 1.00 57.99 C ANISOU 1102 CE2 TRP B 408 5548 9362 7126 -1386 2165 361 C ATOM 1103 CE3 TRP B 408 -27.615 41.194 -1.570 1.00 63.36 C ANISOU 1103 CE3 TRP B 408 6700 10181 7194 -1245 2365 -325 C ATOM 1104 CZ2 TRP B 408 -29.740 39.680 -2.671 1.00 65.65 C ANISOU 1104 CZ2 TRP B 408 6471 10405 8069 -1265 2574 674 C ATOM 1105 CZ3 TRP B 408 -28.934 41.448 -1.235 1.00 70.51 C ANISOU 1105 CZ3 TRP B 408 7608 11154 8030 -1074 2803 -36 C ATOM 1106 CH2 TRP B 408 -29.980 40.694 -1.785 1.00 64.87 C ANISOU 1106 CH2 TRP B 408 6605 10424 7620 -1088 2915 486 C ATOM 1107 H TRP B 408 -22.494 40.928 -2.871 1.00 70.49 H ATOM 1108 HA TRP B 408 -24.396 40.917 -4.613 1.00 71.59 H ATOM 1109 HB2 TRP B 408 -24.155 39.328 -2.854 1.00 71.38 H ATOM 1110 HB3 TRP B 408 -24.716 40.420 -1.848 1.00 71.38 H ATOM 1111 HD1 TRP B 408 -25.934 38.089 -4.364 1.00 62.93 H ATOM 1112 HE1 TRP B 408 -28.332 37.907 -4.308 1.00 66.94 H ATOM 1113 HE3 TRP B 408 -26.926 41.697 -1.200 1.00 76.03 H ATOM 1114 HZ2 TRP B 408 -30.436 39.182 -3.035 1.00 78.78 H ATOM 1115 HZ3 TRP B 408 -29.130 42.131 -0.636 1.00 84.62 H ATOM 1116 HH2 TRP B 408 -30.857 40.889 -1.543 1.00 77.85 H ATOM 1117 N PRO B 409 -26.092 42.754 -4.289 1.00 60.60 N ANISOU 1117 N PRO B 409 6029 9259 7737 -1520 2125 -964 N ATOM 1118 CA PRO B 409 -26.706 41.940 -5.345 1.00 60.71 C ANISOU 1118 CA PRO B 409 5778 9207 8083 -1526 2102 -597 C ATOM 1119 C PRO B 409 -26.022 42.102 -6.696 1.00 63.64 C ANISOU 1119 C PRO B 409 5952 9398 8832 -1583 1939 -708 C ATOM 1120 O PRO B 409 -26.601 41.768 -7.729 1.00 63.57 O ANISOU 1120 O PRO B 409 5753 9296 9105 -1555 1966 -486 O ATOM 1121 CB PRO B 409 -28.126 42.496 -5.401 1.00 65.27 C ANISOU 1121 CB PRO B 409 6312 9759 8728 -1412 2548 -390 C ATOM 1122 CG PRO B 409 -27.940 43.950 -5.119 1.00 68.96 C ANISOU 1122 CG PRO B 409 6954 10128 9119 -1357 2801 -766 C ATOM 1123 CD PRO B 409 -26.760 44.063 -4.176 1.00 63.76 C ANISOU 1123 CD PRO B 409 6542 9545 8138 -1426 2532 -1128 C ATOM 1124 HA PRO B 409 -26.727 41.004 -5.093 1.00 72.86 H ATOM 1125 HB2 PRO B 409 -28.502 42.358 -6.285 1.00 78.32 H ATOM 1126 HB3 PRO B 409 -28.674 42.076 -4.719 1.00 78.32 H ATOM 1127 HG2 PRO B 409 -27.757 44.418 -5.949 1.00 82.75 H ATOM 1128 HG3 PRO B 409 -28.742 44.302 -4.702 1.00 82.75 H ATOM 1129 HD2 PRO B 409 -26.164 44.771 -4.465 1.00 76.51 H ATOM 1130 HD3 PRO B 409 -27.067 44.207 -3.267 1.00 76.51 H ATOM 1131 N ASN B 410 -24.796 42.607 -6.675 1.00 65.28 N ANISOU 1131 N ASN B 410 6198 9570 9037 -1651 1760 -1031 N ATOM 1132 CA ASN B 410 -24.032 42.827 -7.893 1.00 58.29 C ANISOU 1132 CA ASN B 410 5110 8545 8493 -1668 1637 -1105 C ATOM 1133 C ASN B 410 -22.751 42.002 -7.868 1.00 57.08 C ANISOU 1133 C ASN B 410 4919 8486 8285 -1713 1225 -1132 C ATOM 1134 O ASN B 410 -21.661 42.506 -8.138 1.00 57.80 O ANISOU 1134 O ASN B 410 4922 8539 8500 -1765 1094 -1319 O ATOM 1135 CB ASN B 410 -23.736 44.319 -8.049 1.00 57.04 C ANISOU 1135 CB ASN B 410 4954 8227 8492 -1703 1844 -1398 C ATOM 1136 CG ASN B 410 -25.001 45.139 -8.249 1.00 66.07 C ANISOU 1136 CG ASN B 410 6185 9230 9690 -1560 2214 -1297 C ATOM 1137 OD1 ASN B 410 -25.792 44.870 -9.154 1.00 65.45 O ANISOU 1137 OD1 ASN B 410 6130 9058 9678 -1349 2141 -945 O ATOM 1138 ND2 ASN B 410 -25.212 46.127 -7.387 1.00 70.96 N ANISOU 1138 ND2 ASN B 410 6952 9823 10188 -1609 2504 -1569 N ATOM 1139 H ASN B 410 -24.379 42.834 -5.958 1.00 78.34 H ATOM 1140 HA ASN B 410 -24.559 42.543 -8.655 1.00 69.95 H ATOM 1141 HB2 ASN B 410 -23.292 44.640 -7.249 1.00 68.45 H ATOM 1142 HB3 ASN B 410 -23.166 44.450 -8.822 1.00 68.45 H ATOM 1143 HD21 ASN B 410 -25.914 46.618 -7.459 1.00 85.16 H ATOM 1144 HD22 ASN B 410 -24.646 46.275 -6.756 1.00 85.16 H ATOM 1145 N CYS B 411 -22.907 40.724 -7.533 1.00 54.51 N ANISOU 1145 N CYS B 411 4640 8276 7793 -1687 1032 -904 N ATOM 1146 CA CYS B 411 -21.793 39.790 -7.445 1.00 58.67 C ANISOU 1146 CA CYS B 411 5148 8904 8240 -1685 660 -872 C ATOM 1147 C CYS B 411 -21.682 38.998 -8.742 1.00 54.51 C ANISOU 1147 C CYS B 411 4479 8263 7970 -1570 525 -686 C ATOM 1148 O CYS B 411 -22.579 38.231 -9.079 1.00 52.92 O ANISOU 1148 O CYS B 411 4293 7990 7824 -1525 530 -456 O ATOM 1149 CB CYS B 411 -22.007 38.838 -6.268 1.00 60.64 C ANISOU 1149 CB CYS B 411 5562 9332 8148 -1694 537 -716 C ATOM 1150 SG CYS B 411 -20.685 37.635 -6.030 1.00 54.82 S ANISOU 1150 SG CYS B 411 4815 8735 7280 -1662 100 -632 S ATOM 1151 H CYS B 411 -23.667 40.368 -7.348 1.00 65.41 H ATOM 1152 HA CYS B 411 -20.966 40.277 -7.306 1.00 70.41 H ATOM 1153 HB2 CYS B 411 -22.078 39.362 -5.454 1.00 72.77 H ATOM 1154 HB3 CYS B 411 -22.830 38.346 -6.412 1.00 72.77 H ATOM 1155 N ALA B 412 -20.580 39.187 -9.463 1.00 54.03 N ANISOU 1155 N ALA B 412 4281 8182 8065 -1512 394 -777 N ATOM 1156 CA ALA B 412 -20.402 38.568 -10.776 1.00 55.16 C ANISOU 1156 CA ALA B 412 4322 8223 8412 -1330 295 -635 C ATOM 1157 C ALA B 412 -19.554 37.299 -10.706 1.00 54.21 C ANISOU 1157 C ALA B 412 4250 8174 8175 -1223 -36 -511 C ATOM 1158 O ALA B 412 -19.211 36.723 -11.737 1.00 56.97 O ANISOU 1158 O ALA B 412 4561 8445 8640 -1021 -148 -418 O ATOM 1159 CB ALA B 412 -19.774 39.562 -11.740 1.00 58.80 C ANISOU 1159 CB ALA B 412 4719 8576 9047 -1195 391 -671 C ATOM 1160 H ALA B 412 -19.916 39.673 -9.213 1.00 64.83 H ATOM 1161 HA ALA B 412 -21.272 38.323 -11.127 1.00 66.19 H ATOM 1162 HB1 ALA B 412 -19.663 39.135 -12.605 1.00 70.56 H ATOM 1163 HB2 ALA B 412 -20.358 40.332 -11.824 1.00 70.56 H ATOM 1164 HB3 ALA B 412 -18.911 39.836 -11.393 1.00 70.56 H ATOM 1165 N ASN B 413 -19.209 36.876 -9.494 1.00 49.02 N ANISOU 1165 N ASN B 413 3692 7670 7263 -1322 -183 -505 N ATOM 1166 CA ASN B 413 -18.460 35.640 -9.302 1.00 45.46 C ANISOU 1166 CA ASN B 413 3295 7292 6685 -1211 -478 -352 C ATOM 1167 C ASN B 413 -19.436 34.487 -9.093 1.00 52.39 C ANISOU 1167 C ASN B 413 4341 8064 7499 -1200 -544 -128 C ATOM 1168 O ASN B 413 -20.076 34.404 -8.046 1.00 56.61 O ANISOU 1168 O ASN B 413 4970 8682 7858 -1330 -479 -63 O ATOM 1169 CB ASN B 413 -17.523 35.763 -8.098 1.00 49.10 C ANISOU 1169 CB ASN B 413 3754 8000 6903 -1313 -627 -431 C ATOM 1170 CG ASN B 413 -16.620 34.547 -7.924 1.00 52.04 C ANISOU 1170 CG ASN B 413 4146 8474 7155 -1167 -918 -246 C ATOM 1171 OD1 ASN B 413 -16.828 33.504 -8.543 1.00 54.92 O ANISOU 1171 OD1 ASN B 413 4590 8691 7587 -996 -1005 -62 O ATOM 1172 ND2 ASN B 413 -15.617 34.679 -7.067 1.00 58.44 N ANISOU 1172 ND2 ASN B 413 4894 9528 7784 -1228 -1086 -297 N ATOM 1173 H ASN B 413 -19.397 37.289 -8.763 1.00 58.82 H ATOM 1174 HA ASN B 413 -17.928 35.456 -10.092 1.00 54.55 H ATOM 1175 HB2 ASN B 413 -16.957 36.542 -8.216 1.00 58.92 H ATOM 1176 HB3 ASN B 413 -18.055 35.859 -7.293 1.00 58.92 H ATOM 1177 HD21 ASN B 413 -15.077 34.022 -6.932 1.00 70.13 H ATOM 1178 HD22 ASN B 413 -15.505 35.420 -6.646 1.00 70.13 H ATOM 1179 N PRO B 414 -19.560 33.590 -10.086 1.00 55.27 N ANISOU 1179 N PRO B 414 4754 8237 8009 -1032 -680 2 N ATOM 1180 CA PRO B 414 -20.499 32.477 -9.920 1.00 57.47 C ANISOU 1180 CA PRO B 414 5182 8356 8296 -1064 -789 228 C ATOM 1181 C PRO B 414 -20.063 31.508 -8.822 1.00 65.70 C ANISOU 1181 C PRO B 414 6331 9508 9123 -1074 -971 397 C ATOM 1182 O PRO B 414 -20.893 30.772 -8.289 1.00 74.25 O ANISOU 1182 O PRO B 414 7506 10512 10194 -1163 -1002 621 O ATOM 1183 CB PRO B 414 -20.466 31.786 -11.285 1.00 55.29 C ANISOU 1183 CB PRO B 414 4972 7830 8204 -854 -958 257 C ATOM 1184 CG PRO B 414 -19.125 32.116 -11.838 1.00 58.10 C ANISOU 1184 CG PRO B 414 5241 8297 8539 -638 -988 130 C ATOM 1185 CD PRO B 414 -18.831 33.505 -11.365 1.00 55.40 C ANISOU 1185 CD PRO B 414 4708 8166 8175 -788 -757 -37 C ATOM 1186 HA PRO B 414 -21.394 32.803 -9.737 1.00 68.96 H ATOM 1187 HB2 PRO B 414 -20.566 30.828 -11.171 1.00 66.34 H ATOM 1188 HB3 PRO B 414 -21.169 32.142 -11.850 1.00 66.34 H ATOM 1189 HG2 PRO B 414 -18.468 31.491 -11.493 1.00 69.72 H ATOM 1190 HG3 PRO B 414 -19.155 32.083 -12.807 1.00 69.72 H ATOM 1191 HD2 PRO B 414 -17.878 33.619 -11.220 1.00 66.48 H ATOM 1192 HD3 PRO B 414 -19.175 34.157 -11.995 1.00 66.48 H ATOM 1193 N LEU B 415 -18.775 31.517 -8.495 1.00 60.51 N ANISOU 1193 N LEU B 415 6700 9003 7289 -441 1979 1605 N ATOM 1194 CA LEU B 415 -18.229 30.637 -7.468 1.00 69.15 C ANISOU 1194 CA LEU B 415 7499 10579 8197 -89 1926 1756 C ATOM 1195 C LEU B 415 -18.103 31.349 -6.127 1.00 74.76 C ANISOU 1195 C LEU B 415 7673 11890 8844 -111 1813 1616 C ATOM 1196 O LEU B 415 -17.413 30.862 -5.231 1.00 82.15 O ANISOU 1196 O LEU B 415 8221 13419 9574 164 1713 1659 O ATOM 1197 CB LEU B 415 -16.847 30.135 -7.883 1.00 73.50 C ANISOU 1197 CB LEU B 415 7812 11309 8807 62 2087 1863 C ATOM 1198 CG LEU B 415 -16.740 29.407 -9.220 1.00 74.47 C ANISOU 1198 CG LEU B 415 8358 10962 8974 78 2191 1943 C ATOM 1199 CD1 LEU B 415 -15.288 29.040 -9.481 1.00 76.84 C ANISOU 1199 CD1 LEU B 415 8335 11511 9351 240 2385 2053 C ATOM 1200 CD2 LEU B 415 -17.626 28.170 -9.239 1.00 73.91 C ANISOU 1200 CD2 LEU B 415 8702 10637 8742 291 2060 2020 C ATOM 1201 H LEU B 415 -18.189 32.031 -8.858 1.00 72.61 H ATOM 1202 HA LEU B 415 -18.814 29.871 -7.355 1.00 82.98 H ATOM 1203 HB2 LEU B 415 -16.250 30.899 -7.927 1.00 88.20 H ATOM 1204 HB3 LEU B 415 -16.531 29.524 -7.200 1.00 88.20 H ATOM 1205 HG LEU B 415 -17.033 30.000 -9.930 1.00 89.36 H ATOM 1206 HD11 LEU B 415 -15.227 28.578 -10.331 1.00 92.21 H ATOM 1207 HD12 LEU B 415 -14.757 29.852 -9.506 1.00 92.21 H ATOM 1208 HD13 LEU B 415 -14.976 28.463 -8.767 1.00 92.21 H ATOM 1209 HD21 LEU B 415 -17.535 27.731 -10.100 1.00 88.69 H ATOM 1210 HD22 LEU B 415 -17.345 27.571 -8.530 1.00 88.69 H ATOM 1211 HD23 LEU B 415 -18.547 28.440 -9.100 1.00 88.69 H ATOM 1212 N CYS B 416 -18.755 32.500 -5.992 1.00 72.84 N ANISOU 1212 N CYS B 416 7389 11530 8758 -431 1792 1396 N ATOM 1213 CA CYS B 416 -18.642 33.300 -4.778 1.00 69.60 C ANISOU 1213 CA CYS B 416 6438 11684 8324 -551 1630 1081 C ATOM 1214 C CYS B 416 -18.980 32.482 -3.537 1.00 72.88 C ANISOU 1214 C CYS B 416 6771 12636 8284 -193 1395 1156 C ATOM 1215 O CYS B 416 -20.036 31.853 -3.461 1.00 74.55 O ANISOU 1215 O CYS B 416 7431 12594 8301 -32 1351 1369 O ATOM 1216 CB CYS B 416 -19.544 34.529 -4.850 1.00 66.20 C ANISOU 1216 CB CYS B 416 6097 10920 8136 -923 1650 854 C ATOM 1217 SG CYS B 416 -19.556 35.493 -3.328 1.00 67.21 S ANISOU 1217 SG CYS B 416 5668 11633 8235 -1118 1395 275 S ATOM 1218 H CYS B 416 -19.271 32.840 -6.591 1.00 87.41 H ATOM 1219 HA CYS B 416 -17.726 33.608 -4.690 1.00 83.52 H ATOM 1220 HB2 CYS B 416 -19.233 35.106 -5.566 1.00 79.44 H ATOM 1221 HB3 CYS B 416 -20.453 34.242 -5.028 1.00 79.44 H ATOM 1222 N ALA B 417 -18.071 32.497 -2.568 1.00 81.75 N ANISOU 1222 N ALA B 417 7345 14464 9251 -67 1217 945 N ATOM 1223 CA ALA B 417 -18.211 31.691 -1.361 1.00 85.42 C ANISOU 1223 CA ALA B 417 7711 15512 9232 340 994 1051 C ATOM 1224 C ALA B 417 -18.968 32.437 -0.266 1.00 84.46 C ANISOU 1224 C ALA B 417 7424 15707 8958 190 773 675 C ATOM 1225 O ALA B 417 -19.589 31.817 0.597 1.00 90.56 O ANISOU 1225 O ALA B 417 8308 16773 9327 485 648 821 O ATOM 1226 CB ALA B 417 -16.841 31.265 -0.858 1.00 88.03 C ANISOU 1226 CB ALA B 417 7581 16471 9396 613 871 1034 C ATOM 1227 H ALA B 417 -17.354 32.972 -2.587 1.00 98.10 H ATOM 1228 HA ALA B 417 -18.713 30.889 -1.576 1.00102.50 H ATOM 1229 HB1 ALA B 417 -16.952 30.730 -0.056 1.00105.64 H ATOM 1230 HB2 ALA B 417 -16.401 30.742 -1.546 1.00105.64 H ATOM 1231 HB3 ALA B 417 -16.318 32.057 -0.658 1.00105.64 H ATOM 1232 N PHE B 418 -18.908 33.765 -0.300 1.00 82.70 N ANISOU 1232 N PHE B 418 6971 15371 9080 -270 747 179 N ATOM 1233 CA PHE B 418 -19.616 34.587 0.675 1.00 83.99 C ANISOU 1233 CA PHE B 418 7016 15726 9171 -460 560 -263 C ATOM 1234 C PHE B 418 -21.112 34.308 0.545 1.00 81.32 C ANISOU 1234 C PHE B 418 7214 14953 8733 -390 629 4 C ATOM 1235 O PHE B 418 -21.577 33.927 -0.529 1.00 83.08 O ANISOU 1235 O PHE B 418 7884 14581 9102 -383 840 390 O ATOM 1236 CB PHE B 418 -19.342 36.075 0.436 1.00 88.95 C ANISOU 1236 CB PHE B 418 7461 16036 10301 -989 615 -809 C ATOM 1237 CG PHE B 418 -17.877 36.435 0.346 1.00 93.77 C ANISOU 1237 CG PHE B 418 7685 16839 11104 -1125 603 -1066 C ATOM 1238 CD1 PHE B 418 -16.896 35.600 0.860 1.00 96.79 C ANISOU 1238 CD1 PHE B 418 7789 17856 11132 -783 440 -953 C ATOM 1239 CD2 PHE B 418 -17.487 37.625 -0.252 1.00 94.07 C ANISOU 1239 CD2 PHE B 418 7660 16403 11681 -1581 781 -1397 C ATOM 1240 CE1 PHE B 418 -15.557 35.944 0.771 1.00100.61 C ANISOU 1240 CE1 PHE B 418 7891 18544 11792 -918 436 -1198 C ATOM 1241 CE2 PHE B 418 -16.153 37.973 -0.342 1.00 97.39 C ANISOU 1241 CE2 PHE B 418 7723 16993 12286 -1728 797 -1632 C ATOM 1242 CZ PHE B 418 -15.186 37.132 0.170 1.00100.57 C ANISOU 1242 CZ PHE B 418 7803 18077 12331 -1409 614 -1551 C ATOM 1243 H PHE B 418 -18.461 34.216 -0.881 1.00 99.24 H ATOM 1244 HA PHE B 418 -19.330 34.355 1.573 1.00100.79 H ATOM 1245 HB2 PHE B 418 -19.762 36.338 -0.398 1.00106.74 H ATOM 1246 HB3 PHE B 418 -19.726 36.583 1.169 1.00106.74 H ATOM 1247 HD1 PHE B 418 -17.140 34.799 1.264 1.00116.15 H ATOM 1248 HD2 PHE B 418 -18.134 38.196 -0.600 1.00112.89 H ATOM 1249 HE1 PHE B 418 -14.907 35.376 1.117 1.00120.73 H ATOM 1250 HE2 PHE B 418 -15.907 38.773 -0.748 1.00116.86 H ATOM 1251 HZ PHE B 418 -14.287 37.364 0.110 1.00120.68 H ATOM 1252 N ARG B 419 -21.872 34.491 1.621 1.00 77.76 N ANISOU 1252 N ARG B 419 6749 14777 8018 -343 446 -216 N ATOM 1253 CA ARG B 419 -23.300 34.189 1.566 1.00 77.58 C ANISOU 1253 CA ARG B 419 7236 14351 7891 -266 500 25 C ATOM 1254 C ARG B 419 -24.074 35.291 0.846 1.00 66.32 C ANISOU 1254 C ARG B 419 6041 12236 6923 -640 620 -161 C ATOM 1255 O ARG B 419 -23.795 36.481 1.015 1.00 64.62 O ANISOU 1255 O ARG B 419 5567 11971 7014 -956 603 -641 O ATOM 1256 CB ARG B 419 -23.886 33.931 2.966 1.00 87.40 C ANISOU 1256 CB ARG B 419 8404 16136 8667 -52 301 -99 C ATOM 1257 CG ARG B 419 -23.936 35.136 3.899 1.00 98.59 C ANISOU 1257 CG ARG B 419 9473 17854 10132 -319 128 -763 C ATOM 1258 CD ARG B 419 -24.769 34.851 5.148 1.00103.88 C ANISOU 1258 CD ARG B 419 10183 18960 10326 -109 -16 -832 C ATOM 1259 NE ARG B 419 -26.207 34.822 4.874 1.00 99.88 N ANISOU 1259 NE ARG B 419 10149 17902 9898 -136 111 -650 N ATOM 1260 CZ ARG B 419 -27.001 35.891 4.883 1.00 94.06 C ANISOU 1260 CZ ARG B 419 9479 16805 9456 -416 143 -1015 C ATOM 1261 NH1 ARG B 419 -26.509 37.095 5.145 1.00100.88 N ANISOU 1261 NH1 ARG B 419 10015 17721 10594 -727 95 -1602 N ATOM 1262 NH2 ARG B 419 -28.294 35.758 4.625 1.00 81.53 N ANISOU 1262 NH2 ARG B 419 8274 14800 7905 -388 248 -805 N ATOM 1263 H ARG B 419 -21.592 34.782 2.380 1.00 93.31 H ATOM 1264 HA ARG B 419 -23.417 33.375 1.053 1.00 93.10 H ATOM 1265 HB2 ARG B 419 -24.794 33.607 2.862 1.00104.88 H ATOM 1266 HB3 ARG B 419 -23.348 33.250 3.401 1.00104.88 H ATOM 1267 HG2 ARG B 419 -23.035 35.360 4.181 1.00118.31 H ATOM 1268 HG3 ARG B 419 -24.337 35.885 3.432 1.00118.31 H ATOM 1269 HD2 ARG B 419 -24.515 33.987 5.508 1.00124.65 H ATOM 1270 HD3 ARG B 419 -24.603 35.546 5.805 1.00124.65 H ATOM 1271 HE ARG B 419 -26.564 34.060 4.695 1.00119.85 H ATOM 1272 HH11 ARG B 419 -25.672 37.190 5.314 1.00121.06 H ATOM 1273 HH12 ARG B 419 -27.029 37.780 5.147 1.00121.06 H ATOM 1274 HH21 ARG B 419 -28.621 34.981 4.453 1.00 97.84 H ATOM 1275 HH22 ARG B 419 -28.807 36.449 4.628 1.00 97.84 H ATOM 1276 N HIS B 420 -25.028 34.872 0.020 1.00 60.18 N ANISOU 1276 N HIS B 420 5745 10934 6189 -592 763 226 N ATOM 1277 CA HIS B 420 -25.942 35.784 -0.655 1.00 55.99 C ANISOU 1277 CA HIS B 420 5466 9798 6010 -838 865 156 C ATOM 1278 C HIS B 420 -27.330 35.603 -0.053 1.00 60.62 C ANISOU 1278 C HIS B 420 6275 10387 6370 -727 789 182 C ATOM 1279 O HIS B 420 -27.812 34.475 0.034 1.00 61.83 O ANISOU 1279 O HIS B 420 6651 10648 6192 -497 798 523 O ATOM 1280 CB HIS B 420 -26.004 35.471 -2.147 1.00 49.56 C ANISOU 1280 CB HIS B 420 4993 8456 5380 -873 1072 573 C ATOM 1281 CG HIS B 420 -24.670 35.469 -2.824 1.00 60.06 C ANISOU 1281 CG HIS B 420 6143 9777 6898 -950 1194 621 C ATOM 1282 ND1 HIS B 420 -23.932 34.319 -3.009 1.00 67.95 N ANISOU 1282 ND1 HIS B 420 7131 11019 7669 -718 1241 917 N ATOM 1283 CD2 HIS B 420 -23.939 36.474 -3.359 1.00 60.34 C ANISOU 1283 CD2 HIS B 420 6000 9577 7348 -1230 1317 414 C ATOM 1284 CE1 HIS B 420 -22.807 34.616 -3.630 1.00 75.01 C ANISOU 1284 CE1 HIS B 420 7819 11868 8815 -846 1366 880 C ATOM 1285 NE2 HIS B 420 -22.785 35.918 -3.854 1.00 74.23 N ANISOU 1285 NE2 HIS B 420 7617 11481 9108 -1177 1418 575 N ATOM 1286 H HIS B 420 -25.168 34.045 -0.169 1.00 72.22 H ATOM 1287 HA HIS B 420 -25.655 36.703 -0.530 1.00 67.19 H ATOM 1288 HB2 HIS B 420 -26.398 34.593 -2.266 1.00 59.47 H ATOM 1289 HB3 HIS B 420 -26.556 36.139 -2.583 1.00 59.47 H ATOM 1290 HD1 HIS B 420 -24.170 33.531 -2.760 1.00 81.54 H ATOM 1291 HD2 HIS B 420 -24.174 37.374 -3.388 1.00 72.40 H ATOM 1292 HE1 HIS B 420 -22.141 34.012 -3.868 1.00 90.02 H ATOM 1293 N PRO B 421 -27.980 36.703 0.370 1.00 59.18 N ANISOU 1293 N PRO B 421 6033 10067 6387 -894 755 -188 N ATOM 1294 CA PRO B 421 -29.335 36.588 0.924 1.00 57.39 C ANISOU 1294 CA PRO B 421 5986 9849 5970 -790 705 -179 C ATOM 1295 C PRO B 421 -30.290 35.861 -0.014 1.00 57.62 C ANISOU 1295 C PRO B 421 6418 9528 5948 -701 807 293 C ATOM 1296 O PRO B 421 -30.135 35.938 -1.230 1.00 55.58 O ANISOU 1296 O PRO B 421 6327 8872 5920 -786 927 526 O ATOM 1297 CB PRO B 421 -29.769 38.046 1.093 1.00 55.22 C ANISOU 1297 CB PRO B 421 5623 9286 6074 -1005 739 -607 C ATOM 1298 CG PRO B 421 -28.503 38.797 1.259 1.00 60.38 C ANISOU 1298 CG PRO B 421 5936 10039 6965 -1222 745 -995 C ATOM 1299 CD PRO B 421 -27.489 38.092 0.411 1.00 57.46 C ANISOU 1299 CD PRO B 421 5570 9672 6591 -1190 799 -654 C ATOM 1300 HA PRO B 421 -29.319 36.147 1.788 1.00 68.87 H ATOM 1301 HB2 PRO B 421 -30.243 38.341 0.300 1.00 66.27 H ATOM 1302 HB3 PRO B 421 -30.327 38.133 1.881 1.00 66.27 H ATOM 1303 HG2 PRO B 421 -28.625 39.710 0.955 1.00 72.45 H ATOM 1304 HG3 PRO B 421 -28.236 38.781 2.191 1.00 72.45 H ATOM 1305 HD2 PRO B 421 -27.473 38.471 -0.482 1.00 68.96 H ATOM 1306 HD3 PRO B 421 -26.615 38.129 0.828 1.00 68.96 H ATOM 1307 N THR B 422 -31.259 35.153 0.556 1.00 54.63 N ANISOU 1307 N THR B 422 6176 9330 5249 -549 773 412 N ATOM 1308 CA THR B 422 -32.238 34.416 -0.233 1.00 51.21 C ANISOU 1308 CA THR B 422 6132 8364 4960 -447 762 686 C ATOM 1309 C THR B 422 -33.246 35.373 -0.862 1.00 48.08 C ANISOU 1309 C THR B 422 5795 7750 4723 -595 849 688 C ATOM 1310 O THR B 422 -33.637 35.205 -2.014 1.00 46.74 O ANISOU 1310 O THR B 422 5866 7142 4750 -574 869 862 O ATOM 1311 CB THR B 422 -32.983 33.381 0.642 1.00 52.91 C ANISOU 1311 CB THR B 422 6473 8569 5060 -263 666 686 C ATOM 1312 OG1 THR B 422 -32.037 32.475 1.224 1.00 62.01 O ANISOU 1312 OG1 THR B 422 7569 9895 6099 -115 620 741 O ATOM 1313 CG2 THR B 422 -33.992 32.589 -0.175 1.00 50.63 C ANISOU 1313 CG2 THR B 422 6530 7757 4948 -247 703 779 C ATOM 1314 H THR B 422 -31.372 35.083 1.406 1.00 65.55 H ATOM 1315 HA THR B 422 -31.783 33.941 -0.946 1.00 61.45 H ATOM 1316 HB THR B 422 -33.460 33.843 1.349 1.00 63.49 H ATOM 1317 HG1 THR B 422 -32.436 31.910 1.700 1.00 74.42 H ATOM 1318 HG21 THR B 422 -34.447 31.947 0.393 1.00 60.75 H ATOM 1319 HG22 THR B 422 -34.649 33.189 -0.561 1.00 60.75 H ATOM 1320 HG23 THR B 422 -33.540 32.114 -0.889 1.00 60.75 H ATOM 1321 N MET B 423 -33.668 36.378 -0.102 1.00 48.49 N ANISOU 1321 N MET B 423 5655 7937 4833 -661 836 369 N ATOM 1322 CA MET B 423 -34.666 37.324 -0.588 1.00 48.56 C ANISOU 1322 CA MET B 423 5728 7588 5133 -700 879 330 C ATOM 1323 C MET B 423 -34.041 38.368 -1.512 1.00 52.79 C ANISOU 1323 C MET B 423 6264 7684 6108 -822 976 316 C ATOM 1324 O MET B 423 -32.966 38.891 -1.216 1.00 54.57 O ANISOU 1324 O MET B 423 6311 7921 6504 -939 998 57 O ATOM 1325 CB MET B 423 -35.358 38.016 0.590 1.00 44.31 C ANISOU 1325 CB MET B 423 5025 7209 4601 -664 838 -59 C ATOM 1326 CG MET B 423 -36.160 37.065 1.467 1.00 45.38 C ANISOU 1326 CG MET B 423 5182 7746 4313 -541 790 -14 C ATOM 1327 SD MET B 423 -37.364 36.121 0.511 1.00 52.11 S ANISOU 1327 SD MET B 423 6297 8449 5052 -496 833 432 S ATOM 1328 CE MET B 423 -38.565 37.396 0.139 1.00 60.27 C ANISOU 1328 CE MET B 423 7272 9207 6419 -472 861 326 C ATOM 1329 H MET B 423 -33.392 36.534 0.698 1.00 58.19 H ATOM 1330 HA MET B 423 -35.343 36.836 -1.082 1.00 58.27 H ATOM 1331 HB2 MET B 423 -34.684 38.436 1.146 1.00 53.17 H ATOM 1332 HB3 MET B 423 -35.967 38.687 0.245 1.00 53.17 H ATOM 1333 HG2 MET B 423 -35.555 36.439 1.894 1.00 54.45 H ATOM 1334 HG3 MET B 423 -36.640 37.578 2.136 1.00 54.45 H ATOM 1335 HE1 MET B 423 -39.284 37.009 -0.385 1.00 72.32 H ATOM 1336 HE2 MET B 423 -38.916 37.751 0.970 1.00 72.32 H ATOM 1337 HE3 MET B 423 -38.130 38.101 -0.365 1.00 72.32 H ATOM 1338 N PRO B 424 -34.712 38.679 -2.637 1.00 48.28 N ANISOU 1338 N PRO B 424 5880 6753 5710 -798 1047 598 N ATOM 1339 CA PRO B 424 -34.178 39.721 -3.520 1.00 46.25 C ANISOU 1339 CA PRO B 424 5660 6042 5870 -884 1190 640 C ATOM 1340 C PRO B 424 -34.137 41.080 -2.827 1.00 45.15 C ANISOU 1340 C PRO B 424 5356 5688 6110 -946 1276 219 C ATOM 1341 O PRO B 424 -34.783 41.252 -1.793 1.00 45.85 O ANISOU 1341 O PRO B 424 5328 5971 6120 -887 1210 -71 O ATOM 1342 CB PRO B 424 -35.186 39.764 -4.676 1.00 46.98 C ANISOU 1342 CB PRO B 424 5969 5906 5975 -768 1219 1036 C ATOM 1343 CG PRO B 424 -35.988 38.524 -4.566 1.00 42.09 C ANISOU 1343 CG PRO B 424 5421 5643 4930 -698 1092 1194 C ATOM 1344 CD PRO B 424 -35.990 38.140 -3.133 1.00 44.40 C ANISOU 1344 CD PRO B 424 5550 6289 5033 -691 1011 878 C ATOM 1345 HA PRO B 424 -33.298 39.484 -3.852 1.00 55.50 H ATOM 1346 HB2 PRO B 424 -35.753 40.546 -4.583 1.00 56.38 H ATOM 1347 HB3 PRO B 424 -34.710 39.788 -5.521 1.00 56.38 H ATOM 1348 HG2 PRO B 424 -36.892 38.697 -4.871 1.00 50.51 H ATOM 1349 HG3 PRO B 424 -35.578 37.827 -5.101 1.00 50.51 H ATOM 1350 HD2 PRO B 424 -36.735 38.557 -2.672 1.00 53.28 H ATOM 1351 HD3 PRO B 424 -36.009 37.175 -3.041 1.00 53.28 H ATOM 1352 N PRO B 425 -33.392 42.042 -3.392 1.00 45.11 N ANISOU 1352 N PRO B 425 5355 5262 6524 -1080 1463 171 N ATOM 1353 CA PRO B 425 -33.366 43.386 -2.809 1.00 51.40 C ANISOU 1353 CA PRO B 425 6032 5752 7747 -1174 1619 -255 C ATOM 1354 C PRO B 425 -34.737 44.034 -2.902 1.00 57.06 C ANISOU 1354 C PRO B 425 6865 6202 8612 -953 1681 -158 C ATOM 1355 O PRO B 425 -35.477 43.751 -3.844 1.00 56.76 O ANISOU 1355 O PRO B 425 7013 6077 8478 -764 1658 313 O ATOM 1356 CB PRO B 425 -32.365 44.141 -3.692 1.00 52.00 C ANISOU 1356 CB PRO B 425 6158 5352 8248 -1359 1870 -188 C ATOM 1357 CG PRO B 425 -31.600 43.092 -4.418 1.00 50.44 C ANISOU 1357 CG PRO B 425 6012 5374 7781 -1393 1795 147 C ATOM 1358 CD PRO B 425 -32.539 41.947 -4.587 1.00 46.86 C ANISOU 1358 CD PRO B 425 5700 5244 6861 -1168 1587 489 C ATOM 1359 HA PRO B 425 -33.060 43.368 -1.888 1.00 61.68 H ATOM 1360 HB2 PRO B 425 -32.845 44.708 -4.316 1.00 62.40 H ATOM 1361 HB3 PRO B 425 -31.774 44.671 -3.134 1.00 62.40 H ATOM 1362 HG2 PRO B 425 -31.320 43.434 -5.282 1.00 60.53 H ATOM 1363 HG3 PRO B 425 -30.831 42.827 -3.890 1.00 60.53 H ATOM 1364 HD2 PRO B 425 -33.068 42.058 -5.392 1.00 56.23 H ATOM 1365 HD3 PRO B 425 -32.053 41.108 -4.591 1.00 56.23 H ATOM 1366 N CYS B 426 -35.075 44.885 -1.941 1.00 59.87 N ANISOU 1366 N CYS B 426 7095 6469 9183 -968 1760 -614 N ATOM 1367 CA CYS B 426 -36.367 45.552 -1.954 1.00 55.84 C ANISOU 1367 CA CYS B 426 6664 5705 8846 -718 1849 -544 C ATOM 1368 C CYS B 426 -36.368 46.712 -2.947 1.00 62.08 C ANISOU 1368 C CYS B 426 7634 5791 10162 -646 2154 -309 C ATOM 1369 O CYS B 426 -35.480 47.564 -2.918 1.00 70.11 O ANISOU 1369 O CYS B 426 8638 6406 11593 -869 2401 -576 O ATOM 1370 CB CYS B 426 -36.727 46.054 -0.557 1.00 48.96 C ANISOU 1370 CB CYS B 426 5609 4973 8021 -745 1870 -1136 C ATOM 1371 SG CYS B 426 -38.343 46.851 -0.473 1.00 69.46 S ANISOU 1371 SG CYS B 426 8262 7292 10838 -394 2003 -1078 S ATOM 1372 H CYS B 426 -34.576 45.091 -1.272 1.00 71.84 H ATOM 1373 HA CYS B 426 -37.048 44.919 -2.231 1.00 67.00 H ATOM 1374 HB2 CYS B 426 -36.734 45.301 0.054 1.00 58.75 H ATOM 1375 HB3 CYS B 426 -36.061 46.701 -0.276 1.00 58.75 H ATOM 1376 N ARG B 427 -37.373 46.738 -3.818 1.00 66.31 N ANISOU 1376 N ARG B 427 8325 6200 10671 -333 2151 195 N ATOM 1377 CA ARG B 427 -37.472 47.761 -4.856 1.00 77.40 C ANISOU 1377 CA ARG B 427 9930 6976 12503 -168 2441 553 C ATOM 1378 C ARG B 427 -37.702 49.155 -4.273 1.00 80.60 C ANISOU 1378 C ARG B 427 10331 6828 13465 -113 2774 202 C ATOM 1379 O ARG B 427 -37.532 50.156 -4.967 1.00 88.36 O ANISOU 1379 O ARG B 427 11495 7169 14909 -32 3116 413 O ATOM 1380 CB ARG B 427 -38.597 47.412 -5.835 1.00 83.89 C ANISOU 1380 CB ARG B 427 10861 7937 13076 204 2309 1161 C ATOM 1381 CG ARG B 427 -38.386 46.085 -6.547 1.00 91.72 C ANISOU 1381 CG ARG B 427 11897 9401 13553 123 2042 1493 C ATOM 1382 CD ARG B 427 -39.473 45.777 -7.571 1.00100.47 C ANISOU 1382 CD ARG B 427 13082 10701 14393 442 1910 2035 C ATOM 1383 NE ARG B 427 -40.825 45.885 -7.023 1.00104.37 N ANISOU 1383 NE ARG B 427 13417 11419 14821 708 1802 1968 N ATOM 1384 CZ ARG B 427 -41.872 45.183 -7.451 1.00100.61 C ANISOU 1384 CZ ARG B 427 12865 11404 13957 883 1570 2236 C ATOM 1385 NH1 ARG B 427 -41.738 44.296 -8.431 1.00 96.80 N ANISOU 1385 NH1 ARG B 427 12475 11206 13099 807 1417 2564 N ATOM 1386 NH2 ARG B 427 -43.061 45.360 -6.889 1.00100.85 N ANISOU 1386 NH2 ARG B 427 12707 11634 13976 1114 1506 2137 N ATOM 1387 H ARG B 427 -38.017 46.168 -3.829 1.00 79.58 H ATOM 1388 HA ARG B 427 -36.641 47.782 -5.355 1.00 92.88 H ATOM 1389 HB2 ARG B 427 -39.433 47.359 -5.346 1.00100.67 H ATOM 1390 HB3 ARG B 427 -38.653 48.107 -6.509 1.00100.67 H ATOM 1391 HG2 ARG B 427 -37.535 46.109 -7.012 1.00110.07 H ATOM 1392 HG3 ARG B 427 -38.385 45.372 -5.890 1.00110.07 H ATOM 1393 HD2 ARG B 427 -39.398 46.404 -8.308 1.00120.57 H ATOM 1394 HD3 ARG B 427 -39.352 44.871 -7.895 1.00120.57 H ATOM 1395 HE ARG B 427 -40.952 46.440 -6.378 1.00125.25 H ATOM 1396 HH11 ARG B 427 -40.971 44.177 -8.800 1.00116.16 H ATOM 1397 HH12 ARG B 427 -42.420 43.846 -8.699 1.00116.16 H ATOM 1398 HH21 ARG B 427 -43.155 45.930 -6.252 1.00121.02 H ATOM 1399 HH22 ARG B 427 -43.737 44.904 -7.161 1.00121.02 H ATOM 1400 N ASN B 428 -38.085 49.215 -3.001 1.00 76.01 N ANISOU 1400 N ASN B 428 9563 6476 12839 -154 2711 -332 N ATOM 1401 CA ASN B 428 -38.326 50.490 -2.331 1.00 81.37 C ANISOU 1401 CA ASN B 428 10233 6651 14032 -125 3047 -764 C ATOM 1402 C ASN B 428 -37.050 51.113 -1.772 1.00 83.94 C ANISOU 1402 C ASN B 428 10492 6694 14707 -580 3278 -1365 C ATOM 1403 O ASN B 428 -37.083 52.203 -1.200 1.00 91.14 O ANISOU 1403 O ASN B 428 11407 7136 16088 -649 3610 -1823 O ATOM 1404 CB ASN B 428 -39.339 50.309 -1.200 1.00 78.69 C ANISOU 1404 CB ASN B 428 9716 6710 13473 28 2905 -1111 C ATOM 1405 CG ASN B 428 -40.692 49.848 -1.698 1.00 80.34 C ANISOU 1405 CG ASN B 428 9934 7177 13413 462 2726 -588 C ATOM 1406 OD1 ASN B 428 -41.084 50.139 -2.828 1.00 85.48 O ANISOU 1406 OD1 ASN B 428 10738 7538 14201 746 2810 -17 O ATOM 1407 ND2 ASN B 428 -41.417 49.124 -0.853 1.00 76.55 N ANISOU 1407 ND2 ASN B 428 9272 7283 12530 513 2487 -782 N ATOM 1408 H ASN B 428 -38.214 48.527 -2.500 1.00 91.21 H ATOM 1409 HA ASN B 428 -38.704 51.113 -2.971 1.00 97.64 H ATOM 1410 HB2 ASN B 428 -39.005 49.644 -0.579 1.00 94.43 H ATOM 1411 HB3 ASN B 428 -39.460 51.158 -0.745 1.00 94.43 H ATOM 1412 HD21 ASN B 428 -42.193 48.838 -1.089 1.00 91.86 H ATOM 1413 HD22 ASN B 428 -41.110 48.942 -0.071 1.00 91.86 H ATOM 1414 N GLY B 429 -35.927 50.420 -1.938 1.00 80.84 N ANISOU 1414 N GLY B 429 10022 6599 14093 -897 3120 -1390 N ATOM 1415 CA GLY B 429 -34.657 50.896 -1.424 1.00 86.22 C ANISOU 1415 CA GLY B 429 10560 7153 15048 -1362 3290 -1978 C ATOM 1416 C GLY B 429 -34.439 50.475 0.015 1.00 84.78 C ANISOU 1416 C GLY B 429 10070 7616 14525 -1572 3047 -2657 C ATOM 1417 O GLY B 429 -35.351 49.966 0.667 1.00 85.05 O ANISOU 1417 O GLY B 429 10043 8085 14187 -1345 2820 -2686 O ATOM 1418 H GLY B 429 -35.879 49.665 -2.348 1.00 97.00 H ATOM 1419 HA2 GLY B 429 -33.933 50.540 -1.963 1.00103.47 H ATOM 1420 HA3 GLY B 429 -34.629 51.864 -1.470 1.00103.47 H ATOM 1421 N GLY B 430 -33.226 50.694 0.512 1.00 84.47 N ANISOU 1421 N GLY B 430 9817 7679 14599 -2006 3102 -3205 N ATOM 1422 CA GLY B 430 -32.871 50.305 1.865 1.00 85.15 C ANISOU 1422 CA GLY B 430 9577 8471 14307 -2210 2855 -3856 C ATOM 1423 C GLY B 430 -33.639 51.076 2.923 1.00 90.36 C ANISOU 1423 C GLY B 430 10190 9042 15102 -2181 2998 -4435 C ATOM 1424 O GLY B 430 -33.662 50.684 4.090 1.00 89.33 O ANISOU 1424 O GLY B 430 9824 9569 14550 -2246 2768 -4905 O ATOM 1425 H GLY B 430 -32.586 51.071 0.078 1.00101.37 H ATOM 1426 HA2 GLY B 430 -33.052 49.360 1.985 1.00102.19 H ATOM 1427 HA3 GLY B 430 -31.923 50.456 2.005 1.00102.19 H ATOM 1428 N GLU B 431 -34.273 52.171 2.513 1.00 93.87 N ANISOU 1428 N GLU B 431 10869 8677 16122 -2053 3400 -4382 N ATOM 1429 CA GLU B 431 -35.002 53.030 3.439 1.00 95.18 C ANISOU 1429 CA GLU B 431 10993 8746 16423 -1972 3573 -4821 C ATOM 1430 C GLU B 431 -36.474 52.637 3.549 1.00 88.86 C ANISOU 1430 C GLU B 431 10319 8009 15434 -1505 3482 -4564 C ATOM 1431 O GLU B 431 -37.285 53.405 4.065 1.00 98.27 O ANISOU 1431 O GLU B 431 11541 8971 16827 -1343 3686 -4779 O ATOM 1432 CB GLU B 431 -34.889 54.501 3.015 1.00105.04 C ANISOU 1432 CB GLU B 431 12378 9254 18280 -2007 4036 -4764 C ATOM 1433 CG GLU B 431 -35.658 54.881 1.746 1.00108.70 C ANISOU 1433 CG GLU B 431 13187 9040 19073 -1595 4261 -3994 C ATOM 1434 CD GLU B 431 -34.921 54.526 0.467 1.00111.20 C ANISOU 1434 CD GLU B 431 13633 9203 19417 -1625 4248 -3411 C ATOM 1435 OE1 GLU B 431 -33.943 53.750 0.530 1.00112.97 O ANISOU 1435 OE1 GLU B 431 13689 9857 19376 -1921 4018 -3555 O ATOM 1436 OE2 GLU B 431 -35.320 55.027 -0.606 1.00111.08 O ANISOU 1436 OE2 GLU B 431 13872 8697 19636 -1328 4456 -2788 O ATOM 1437 H GLU B 431 -34.295 52.440 1.696 1.00112.65 H ATOM 1438 HA GLU B 431 -34.607 52.944 4.321 1.00114.21 H ATOM 1439 HB2 GLU B 431 -35.226 55.055 3.736 1.00126.05 H ATOM 1440 HB3 GLU B 431 -33.953 54.704 2.860 1.00126.05 H ATOM 1441 HG2 GLU B 431 -36.508 54.412 1.741 1.00130.44 H ATOM 1442 HG3 GLU B 431 -35.810 55.839 1.746 1.00130.44 H ATOM 1443 N CYS B 432 -36.816 51.448 3.063 1.00 78.25 N ANISOU 1443 N CYS B 432 8995 7153 13583 -1262 3112 -3932 N ATOM 1444 CA CYS B 432 -38.203 50.989 3.050 1.00 74.92 C ANISOU 1444 CA CYS B 432 8633 6942 12892 -820 2971 -3536 C ATOM 1445 C CYS B 432 -38.815 50.991 4.446 1.00 84.87 C ANISOU 1445 C CYS B 432 9714 8636 13896 -797 2920 -4113 C ATOM 1446 O CYS B 432 -38.186 50.549 5.408 1.00 88.22 O ANISOU 1446 O CYS B 432 9934 9642 13943 -1062 2733 -4593 O ATOM 1447 CB CYS B 432 -38.285 49.582 2.460 1.00 65.08 C ANISOU 1447 CB CYS B 432 7396 6240 11091 -695 2581 -2914 C ATOM 1448 SG CYS B 432 -39.902 48.796 2.629 1.00 74.81 S ANISOU 1448 SG CYS B 432 8611 7919 11894 -274 2367 -2549 S ATOM 1449 H CYS B 432 -36.259 50.882 2.732 1.00 93.90 H ATOM 1450 HA CYS B 432 -38.727 51.583 2.490 1.00 89.91 H ATOM 1451 HB2 CYS B 432 -38.078 49.630 1.513 1.00 78.09 H ATOM 1452 HB3 CYS B 432 -37.635 49.019 2.909 1.00 78.09 H ATOM 1453 N LYS B 433 -40.045 51.490 4.542 1.00 92.41 N ANISOU 1453 N LYS B 433 10734 9342 15034 -450 3092 -4046 N ATOM 1454 CA LYS B 433 -40.754 51.583 5.815 1.00 98.69 C ANISOU 1454 CA LYS B 433 11379 10493 15625 -387 3108 -4576 C ATOM 1455 C LYS B 433 -42.046 50.771 5.784 1.00 93.09 C ANISOU 1455 C LYS B 433 10635 10212 14524 0 2902 -4113 C ATOM 1456 O LYS B 433 -42.848 50.839 6.714 1.00 93.03 O ANISOU 1456 O LYS B 433 10514 10471 14362 128 2949 -4441 O ATOM 1457 CB LYS B 433 -41.087 53.043 6.133 1.00108.49 C ANISOU 1457 CB LYS B 433 12692 11055 17472 -349 3555 -4999 C ATOM 1458 CG LYS B 433 -39.907 54.000 6.042 1.00118.70 C ANISOU 1458 CG LYS B 433 14024 11900 19178 -766 3761 -5275 C ATOM 1459 CD LYS B 433 -38.815 53.662 7.044 1.00122.04 C ANISOU 1459 CD LYS B 433 14189 12959 19220 -1241 3539 -5871 C ATOM 1460 CE LYS B 433 -37.747 54.745 7.075 1.00129.60 C ANISOU 1460 CE LYS B 433 15100 13529 20611 -1651 3800 -6209 C ATOM 1461 NZ LYS B 433 -36.603 54.394 7.961 1.00131.64 N ANISOU 1461 NZ LYS B 433 15040 14487 20491 -2077 3568 -6734 N ATOM 1462 H LYS B 433 -40.497 51.786 3.872 1.00110.89 H ATOM 1463 HA LYS B 433 -40.191 51.236 6.524 1.00118.42 H ATOM 1464 HB2 LYS B 433 -41.763 53.350 5.509 1.00130.18 H ATOM 1465 HB3 LYS B 433 -41.434 53.091 7.038 1.00130.18 H ATOM 1466 HG2 LYS B 433 -39.526 53.951 5.152 1.00142.44 H ATOM 1467 HG3 LYS B 433 -40.214 54.902 6.224 1.00142.44 H ATOM 1468 HD2 LYS B 433 -39.203 53.589 7.930 1.00146.45 H ATOM 1469 HD3 LYS B 433 -38.394 52.825 6.790 1.00146.45 H ATOM 1470 HE2 LYS B 433 -37.402 54.876 6.178 1.00155.51 H ATOM 1471 HE3 LYS B 433 -38.140 55.569 7.404 1.00155.51 H ATOM 1472 HZ1 LYS B 433 -36.001 55.049 7.954 1.00157.97 H ATOM 1473 HZ2 LYS B 433 -36.891 54.275 8.795 1.00157.97 H ATOM 1474 HZ3 LYS B 433 -36.218 53.643 7.678 1.00157.97 H ATOM 1475 N VAL B 434 -42.248 50.009 4.712 1.00 87.84 N ANISOU 1475 N VAL B 434 10054 9625 13697 161 2695 -3386 N ATOM 1476 CA VAL B 434 -43.463 49.216 4.557 1.00 82.55 C ANISOU 1476 CA VAL B 434 9327 9358 12681 475 2510 -2949 C ATOM 1477 C VAL B 434 -43.524 48.123 5.622 1.00 80.65 C ANISOU 1477 C VAL B 434 8929 9913 11803 340 2260 -3177 C ATOM 1478 O VAL B 434 -42.643 47.264 5.674 1.00 81.26 O ANISOU 1478 O VAL B 434 9003 10350 11521 105 2039 -3124 O ATOM 1479 CB VAL B 434 -43.529 48.562 3.165 1.00 81.25 C ANISOU 1479 CB VAL B 434 9277 9166 12429 595 2330 -2190 C ATOM 1480 CG1 VAL B 434 -44.777 47.690 3.031 1.00 81.05 C ANISOU 1480 CG1 VAL B 434 9146 9619 12029 846 2137 -1816 C ATOM 1481 CG2 VAL B 434 -43.505 49.626 2.080 1.00 84.33 C ANISOU 1481 CG2 VAL B 434 9839 8807 13396 784 2589 -1881 C ATOM 1482 H VAL B 434 -41.694 49.934 4.059 1.00105.41 H ATOM 1483 HA VAL B 434 -44.238 49.791 4.662 1.00 99.06 H ATOM 1484 HB VAL B 434 -42.752 47.994 3.045 1.00 97.50 H ATOM 1485 HG11 VAL B 434 -44.791 47.293 2.146 1.00 97.26 H ATOM 1486 HG12 VAL B 434 -44.750 46.995 3.706 1.00 97.26 H ATOM 1487 HG13 VAL B 434 -45.564 48.244 3.157 1.00 97.26 H ATOM 1488 HG21 VAL B 434 -43.547 49.194 1.213 1.00101.20 H ATOM 1489 HG22 VAL B 434 -44.269 50.212 2.196 1.00101.20 H ATOM 1490 HG23 VAL B 434 -42.683 50.135 2.157 1.00101.20 H ATOM 1491 N PRO B 435 -44.566 48.142 6.475 1.00 79.61 N ANISOU 1491 N PRO B 435 8668 10057 11522 516 2323 -3403 N ATOM 1492 CA PRO B 435 -44.643 47.121 7.526 1.00 80.00 C ANISOU 1492 CA PRO B 435 8594 10854 10949 405 2137 -3590 C ATOM 1493 C PRO B 435 -44.814 45.711 6.972 1.00 79.35 C ANISOU 1493 C PRO B 435 8541 11183 10425 414 1867 -3004 C ATOM 1494 O PRO B 435 -45.658 45.477 6.106 1.00 76.14 O ANISOU 1494 O PRO B 435 8151 10684 10096 613 1839 -2531 O ATOM 1495 CB PRO B 435 -45.878 47.534 8.334 1.00 80.88 C ANISOU 1495 CB PRO B 435 8576 11079 11077 636 2323 -3867 C ATOM 1496 CG PRO B 435 -46.687 48.365 7.409 1.00 84.11 C ANISOU 1496 CG PRO B 435 9023 10913 12023 955 2510 -3567 C ATOM 1497 CD PRO B 435 -45.708 49.073 6.530 1.00 83.69 C ANISOU 1497 CD PRO B 435 9145 10231 12422 849 2593 -3474 C ATOM 1498 HA PRO B 435 -43.857 47.155 8.094 1.00 96.00 H ATOM 1499 HB2 PRO B 435 -46.371 46.743 8.605 1.00 97.06 H ATOM 1500 HB3 PRO B 435 -45.605 48.049 9.109 1.00 97.06 H ATOM 1501 HG2 PRO B 435 -47.267 47.793 6.882 1.00100.93 H ATOM 1502 HG3 PRO B 435 -47.210 49.003 7.920 1.00100.93 H ATOM 1503 HD2 PRO B 435 -46.081 49.203 5.644 1.00100.43 H ATOM 1504 HD3 PRO B 435 -45.439 49.914 6.931 1.00100.43 H ATOM 1505 N GLY B 436 -44.005 44.784 7.475 1.00 74.67 N ANISOU 1505 N GLY B 436 7947 11056 9370 206 1685 -3051 N ATOM 1506 CA GLY B 436 -44.085 43.395 7.071 1.00 65.25 C ANISOU 1506 CA GLY B 436 6813 10220 7759 190 1490 -2550 C ATOM 1507 C GLY B 436 -43.242 43.076 5.851 1.00 67.02 C ANISOU 1507 C GLY B 436 7184 10177 8104 93 1375 -2139 C ATOM 1508 O GLY B 436 -43.187 41.924 5.421 1.00 70.12 O ANISOU 1508 O GLY B 436 7656 10802 8185 57 1242 -1741 O ATOM 1509 H GLY B 436 -43.395 44.942 8.060 1.00 89.61 H ATOM 1510 HA2 GLY B 436 -43.787 42.831 7.802 1.00 78.30 H ATOM 1511 HA3 GLY B 436 -45.007 43.172 6.870 1.00 78.30 H ATOM 1512 N CYS B 437 -42.588 44.087 5.285 1.00 63.77 N ANISOU 1512 N CYS B 437 6822 9253 8153 40 1468 -2241 N ATOM 1513 CA CYS B 437 -41.742 43.861 4.120 1.00 62.44 C ANISOU 1513 CA CYS B 437 6793 8823 8109 -57 1395 -1865 C ATOM 1514 C CYS B 437 -40.492 43.111 4.542 1.00 57.83 C ANISOU 1514 C CYS B 437 6186 8591 7195 -275 1252 -1966 C ATOM 1515 O CYS B 437 -39.741 43.579 5.392 1.00 57.36 O ANISOU 1515 O CYS B 437 6005 8648 7142 -421 1274 -2455 O ATOM 1516 CB CYS B 437 -41.349 45.174 3.444 1.00 62.04 C ANISOU 1516 CB CYS B 437 6812 8107 8655 -63 1592 -1938 C ATOM 1517 SG CYS B 437 -40.403 44.913 1.917 1.00 61.27 S ANISOU 1517 SG CYS B 437 6898 7686 8696 -162 1545 -1421 S ATOM 1518 H CYS B 437 -42.616 44.903 5.554 1.00 76.52 H ATOM 1519 HA CYS B 437 -42.222 43.317 3.476 1.00 74.93 H ATOM 1520 HB2 CYS B 437 -42.154 45.667 3.220 1.00 74.45 H ATOM 1521 HB3 CYS B 437 -40.800 45.692 4.054 1.00 74.45 H ATOM 1522 N LYS B 438 -40.274 41.950 3.935 1.00 51.38 N ANISOU 1522 N LYS B 438 5473 7961 6088 -287 1115 -1517 N ATOM 1523 CA LYS B 438 -39.171 41.081 4.318 1.00 50.01 C ANISOU 1523 CA LYS B 438 5276 8161 5564 -412 988 -1521 C ATOM 1524 C LYS B 438 -38.240 40.811 3.141 1.00 51.91 C ANISOU 1524 C LYS B 438 5637 8145 5941 -504 959 -1180 C ATOM 1525 O LYS B 438 -37.456 39.865 3.159 1.00 53.42 O ANISOU 1525 O LYS B 438 5847 8613 5839 -547 865 -1021 O ATOM 1526 CB LYS B 438 -39.716 39.776 4.899 1.00 50.26 C ANISOU 1526 CB LYS B 438 5337 8694 5067 -323 912 -1320 C ATOM 1527 CG LYS B 438 -40.521 39.985 6.177 1.00 57.32 C ANISOU 1527 CG LYS B 438 6100 9915 5763 -242 961 -1673 C ATOM 1528 CD LYS B 438 -41.262 38.725 6.594 1.00 71.90 C ANISOU 1528 CD LYS B 438 8010 12160 7149 -156 959 -1399 C ATOM 1529 CE LYS B 438 -42.270 39.009 7.703 1.00 75.49 C ANISOU 1529 CE LYS B 438 8369 12778 7535 -70 1003 -1649 C ATOM 1530 NZ LYS B 438 -43.539 39.600 7.180 1.00 75.17 N ANISOU 1530 NZ LYS B 438 8271 12547 7744 20 1156 -1665 N ATOM 1531 H LYS B 438 -40.755 41.642 3.293 1.00 61.65 H ATOM 1532 HA LYS B 438 -38.653 41.520 5.011 1.00 60.01 H ATOM 1533 HB2 LYS B 438 -40.298 39.358 4.245 1.00 60.31 H ATOM 1534 HB3 LYS B 438 -38.973 39.188 5.106 1.00 60.31 H ATOM 1535 HG2 LYS B 438 -39.918 40.233 6.895 1.00 68.78 H ATOM 1536 HG3 LYS B 438 -41.174 40.686 6.031 1.00 68.78 H ATOM 1537 HD2 LYS B 438 -41.743 38.370 5.830 1.00 86.28 H ATOM 1538 HD3 LYS B 438 -40.624 38.072 6.922 1.00 86.28 H ATOM 1539 HE2 LYS B 438 -42.488 38.179 8.155 1.00 90.58 H ATOM 1540 HE3 LYS B 438 -41.881 39.638 8.332 1.00 90.58 H ATOM 1541 HZ1 LYS B 438 -44.102 39.753 7.852 1.00 90.21 H ATOM 1542 HZ2 LYS B 438 -43.368 40.369 6.766 1.00 90.21 H ATOM 1543 HZ3 LYS B 438 -43.920 39.040 6.604 1.00 90.21 H ATOM 1544 N PHE B 439 -38.332 41.649 2.113 1.00 51.21 N ANISOU 1544 N PHE B 439 5638 7525 6294 -505 1067 -1046 N ATOM 1545 CA PHE B 439 -37.326 41.659 1.067 1.00 48.88 C ANISOU 1545 CA PHE B 439 5439 6950 6184 -618 1091 -810 C ATOM 1546 C PHE B 439 -36.057 42.247 1.667 1.00 55.17 C ANISOU 1546 C PHE B 439 6063 7769 7131 -824 1124 -1257 C ATOM 1547 O PHE B 439 -36.110 42.923 2.693 1.00 57.20 O ANISOU 1547 O PHE B 439 6158 8126 7451 -877 1161 -1759 O ATOM 1548 CB PHE B 439 -37.797 42.479 -0.132 1.00 48.65 C ANISOU 1548 CB PHE B 439 5556 6364 6564 -535 1229 -533 C ATOM 1549 CG PHE B 439 -38.842 41.788 -0.957 1.00 49.79 C ANISOU 1549 CG PHE B 439 5831 6574 6512 -368 1155 -60 C ATOM 1550 CD1 PHE B 439 -38.485 40.801 -1.859 1.00 46.60 C ANISOU 1550 CD1 PHE B 439 5568 6258 5880 -419 1081 327 C ATOM 1551 CD2 PHE B 439 -40.181 42.118 -0.826 1.00 53.44 C ANISOU 1551 CD2 PHE B 439 6250 7041 7012 -172 1170 -40 C ATOM 1552 CE1 PHE B 439 -39.446 40.155 -2.620 1.00 48.96 C ANISOU 1552 CE1 PHE B 439 5964 6663 5978 -319 1015 688 C ATOM 1553 CE2 PHE B 439 -41.145 41.477 -1.582 1.00 54.29 C ANISOU 1553 CE2 PHE B 439 6415 7291 6920 -52 1085 347 C ATOM 1554 CZ PHE B 439 -40.776 40.494 -2.481 1.00 49.63 C ANISOU 1554 CZ PHE B 439 5966 6802 6088 -148 1003 691 C ATOM 1555 H PHE B 439 -38.967 42.218 2.002 1.00 61.45 H ATOM 1556 HA PHE B 439 -37.144 40.752 0.775 1.00 58.66 H ATOM 1557 HB2 PHE B 439 -38.174 43.313 0.187 1.00 58.38 H ATOM 1558 HB3 PHE B 439 -37.037 42.660 -0.706 1.00 58.38 H ATOM 1559 HD1 PHE B 439 -37.590 40.568 -1.956 1.00 55.92 H ATOM 1560 HD2 PHE B 439 -40.435 42.778 -0.222 1.00 64.12 H ATOM 1561 HE1 PHE B 439 -39.195 39.494 -3.224 1.00 58.76 H ATOM 1562 HE2 PHE B 439 -42.041 41.708 -1.487 1.00 65.14 H ATOM 1563 HZ PHE B 439 -41.423 40.062 -2.992 1.00 59.55 H ATOM 1564 N THR B 440 -34.914 41.985 1.045 1.00 52.85 N ANISOU 1564 N THR B 440 5779 7420 6882 -955 1119 -1114 N ATOM 1565 CA THR B 440 -33.644 42.430 1.604 1.00 56.51 C ANISOU 1565 CA THR B 440 6011 8008 7453 -1179 1131 -1552 C ATOM 1566 C THR B 440 -33.469 43.932 1.422 1.00 61.94 C ANISOU 1566 C THR B 440 6670 8137 8728 -1352 1370 -1893 C ATOM 1567 O THR B 440 -33.543 44.450 0.307 1.00 62.66 O ANISOU 1567 O THR B 440 6949 7670 9190 -1346 1549 -1592 O ATOM 1568 CB THR B 440 -32.459 41.698 0.964 1.00 55.79 C ANISOU 1568 CB THR B 440 5903 8034 7259 -1257 1081 -1291 C ATOM 1569 OG1 THR B 440 -32.675 40.284 1.041 1.00 55.76 O ANISOU 1569 OG1 THR B 440 5986 8441 6759 -1072 927 -930 O ATOM 1570 CG2 THR B 440 -31.160 42.051 1.678 1.00 60.35 C ANISOU 1570 CG2 THR B 440 6151 8902 7877 -1480 1051 -1779 C ATOM 1571 H THR B 440 -34.847 41.554 0.303 1.00 63.42 H ATOM 1572 HA THR B 440 -33.635 42.241 2.555 1.00 67.81 H ATOM 1573 HB THR B 440 -32.380 41.962 0.034 1.00 66.94 H ATOM 1574 HG1 THR B 440 -33.380 40.078 0.633 1.00 66.91 H ATOM 1575 HG21 THR B 440 -30.418 41.582 1.265 1.00 72.42 H ATOM 1576 HG22 THR B 440 -31.000 43.006 1.622 1.00 72.42 H ATOM 1577 HG23 THR B 440 -31.215 41.794 2.612 1.00 72.42 H ATOM 1578 N HIS B 441 -33.236 44.623 2.532 1.00 66.31 N ANISOU 1578 N HIS B 441 6999 8846 9351 -1505 1399 -2526 N ATOM 1579 CA HIS B 441 -33.049 46.066 2.520 1.00 67.16 C ANISOU 1579 CA HIS B 441 7078 8399 10043 -1713 1684 -2954 C ATOM 1580 C HIS B 441 -31.575 46.404 2.682 1.00 70.29 C ANISOU 1580 C HIS B 441 7219 8887 10601 -2079 1728 -3368 C ATOM 1581 O HIS B 441 -31.026 46.308 3.779 1.00 76.48 O ANISOU 1581 O HIS B 441 7699 10239 11123 -2232 1582 -3896 O ATOM 1582 CB HIS B 441 -33.868 46.705 3.640 1.00 68.02 C ANISOU 1582 CB HIS B 441 7108 8574 10164 -1673 1741 -3467 C ATOM 1583 CG HIS B 441 -35.330 46.395 3.562 1.00 67.87 C ANISOU 1583 CG HIS B 441 7271 8526 9991 -1322 1706 -3107 C ATOM 1584 ND1 HIS B 441 -35.953 45.512 4.419 1.00 67.92 N ANISOU 1584 ND1 HIS B 441 7205 9148 9452 -1160 1489 -3110 N ATOM 1585 CD2 HIS B 441 -36.289 46.836 2.716 1.00 63.06 C ANISOU 1585 CD2 HIS B 441 6887 7383 9689 -1095 1868 -2718 C ATOM 1586 CE1 HIS B 441 -37.235 45.436 4.113 1.00 64.04 C ANISOU 1586 CE1 HIS B 441 6866 8497 8970 -892 1527 -2785 C ATOM 1587 NE2 HIS B 441 -37.466 46.230 3.084 1.00 59.10 N ANISOU 1587 NE2 HIS B 441 6404 7209 8842 -831 1733 -2543 N ATOM 1588 H HIS B 441 -33.182 44.272 3.315 1.00 79.58 H ATOM 1589 HA HIS B 441 -33.356 46.425 1.673 1.00 80.60 H ATOM 1590 HB2 HIS B 441 -33.540 46.379 4.493 1.00 81.63 H ATOM 1591 HB3 HIS B 441 -33.765 47.668 3.593 1.00 81.63 H ATOM 1592 HD1 HIS B 441 -35.568 45.085 5.059 1.00 81.50 H ATOM 1593 HD2 HIS B 441 -36.176 47.445 2.023 1.00 75.67 H ATOM 1594 HE1 HIS B 441 -37.867 44.910 4.547 1.00 76.85 H ATOM 1595 N LEU B 442 -30.943 46.799 1.580 1.00 73.67 N ANISOU 1595 N LEU B 442 7752 8799 11439 -2217 1935 -3128 N ATOM 1596 CA LEU B 442 -29.517 47.103 1.574 1.00 77.98 C ANISOU 1596 CA LEU B 442 8037 9405 12186 -2591 2013 -3479 C ATOM 1597 C LEU B 442 -29.174 48.199 2.573 1.00 90.08 C ANISOU 1597 C LEU B 442 9312 10905 14007 -2936 2169 -4338 C ATOM 1598 O LEU B 442 -29.989 49.077 2.856 1.00 91.33 O ANISOU 1598 O LEU B 442 9609 10627 14466 -2911 2382 -4583 O ATOM 1599 CB LEU B 442 -29.065 47.529 0.177 1.00 81.00 C ANISOU 1599 CB LEU B 442 8627 9110 13038 -2685 2305 -3071 C ATOM 1600 CG LEU B 442 -29.401 46.588 -0.981 1.00 75.04 C ANISOU 1600 CG LEU B 442 8158 8308 12047 -2384 2210 -2252 C ATOM 1601 CD1 LEU B 442 -28.668 47.038 -2.234 1.00 78.03 C ANISOU 1601 CD1 LEU B 442 8670 8135 12843 -2541 2509 -1953 C ATOM 1602 CD2 LEU B 442 -29.063 45.142 -0.647 1.00 68.06 C ANISOU 1602 CD2 LEU B 442 7130 8189 10539 -2250 1851 -2077 C ATOM 1603 H LEU B 442 -31.324 46.900 0.815 1.00 88.40 H ATOM 1604 HA LEU B 442 -29.022 46.306 1.820 1.00 93.57 H ATOM 1605 HB2 LEU B 442 -29.473 48.386 -0.023 1.00 97.19 H ATOM 1606 HB3 LEU B 442 -28.100 47.631 0.190 1.00 97.19 H ATOM 1607 HG LEU B 442 -30.354 46.638 -1.160 1.00 90.05 H ATOM 1608 HD11 LEU B 442 -28.888 46.436 -2.962 1.00 93.64 H ATOM 1609 HD12 LEU B 442 -28.946 47.940 -2.455 1.00 93.64 H ATOM 1610 HD13 LEU B 442 -27.713 47.018 -2.065 1.00 93.64 H ATOM 1611 HD21 LEU B 442 -29.292 44.581 -1.405 1.00 81.67 H ATOM 1612 HD22 LEU B 442 -28.114 45.075 -0.460 1.00 81.67 H ATOM 1613 HD23 LEU B 442 -29.575 44.870 0.131 1.00 81.67 H ATOM 1614 N LYS B 443 -27.956 48.136 3.100 1.00102.63 N ANISOU 1614 N LYS B 443 10561 13000 15435 -3156 2060 -4723 N ATOM 1615 CA LYS B 443 -27.489 49.087 4.099 1.00116.51 C ANISOU 1615 CA LYS B 443 12095 14907 17267 -3341 2167 -5412 C ATOM 1616 C LYS B 443 -26.514 50.071 3.466 1.00121.46 C ANISOU 1616 C LYS B 443 12727 15031 18393 -3582 2505 -5506 C ATOM 1617 O LYS B 443 -26.477 51.246 3.833 1.00130.77 O ANISOU 1617 O LYS B 443 13881 15884 19922 -3749 2804 -5940 O ATOM 1618 CB LYS B 443 -26.809 48.341 5.246 1.00123.00 C ANISOU 1618 CB LYS B 443 12527 16755 17451 -3325 1802 -5731 C ATOM 1619 CG LYS B 443 -27.698 47.300 5.913 1.00123.51 C ANISOU 1619 CG LYS B 443 12593 17402 16935 -3042 1473 -5581 C ATOM 1620 CD LYS B 443 -26.879 46.222 6.602 1.00129.26 C ANISOU 1620 CD LYS B 443 13019 19096 16998 -2899 1114 -5538 C ATOM 1621 CE LYS B 443 -27.747 45.039 6.999 1.00128.86 C ANISOU 1621 CE LYS B 443 13047 19541 16371 -2560 831 -5185 C ATOM 1622 NZ LYS B 443 -26.933 43.876 7.451 1.00130.33 N ANISOU 1622 NZ LYS B 443 13016 20556 15948 -2332 540 -4946 N ATOM 1623 H LYS B 443 -27.372 47.541 2.890 1.00123.16 H ATOM 1624 HA LYS B 443 -28.243 49.583 4.454 1.00139.81 H ATOM 1625 HB2 LYS B 443 -26.025 47.885 4.902 1.00147.59 H ATOM 1626 HB3 LYS B 443 -26.545 48.983 5.924 1.00147.59 H ATOM 1627 HG2 LYS B 443 -28.252 47.733 6.580 1.00148.22 H ATOM 1628 HG3 LYS B 443 -28.252 46.875 5.240 1.00148.22 H ATOM 1629 HD2 LYS B 443 -26.190 45.906 5.996 1.00155.11 H ATOM 1630 HD3 LYS B 443 -26.477 46.589 7.405 1.00155.11 H ATOM 1631 HE2 LYS B 443 -28.329 45.302 7.728 1.00154.63 H ATOM 1632 HE3 LYS B 443 -28.274 44.760 6.234 1.00154.63 H ATOM 1633 HZ1 LYS B 443 -27.468 43.201 7.676 1.00156.40 H ATOM 1634 HZ2 LYS B 443 -26.392 43.611 6.796 1.00156.40 H ATOM 1635 HZ3 LYS B 443 -26.443 44.105 8.157 1.00156.40 H ATOM 1636 N THR B 444 -25.726 49.581 2.513 1.00113.96 N ANISOU 1636 N THR B 444 11803 14032 17463 -3598 2479 -5088 N ATOM 1637 CA THR B 444 -24.742 50.408 1.821 1.00114.16 C ANISOU 1637 CA THR B 444 11840 13623 17913 -3811 2790 -5123 C ATOM 1638 C THR B 444 -25.425 51.569 1.096 1.00113.82 C ANISOU 1638 C THR B 444 12162 12639 18447 -3777 3236 -4942 C ATOM 1639 O THR B 444 -26.380 51.355 0.349 1.00110.39 O ANISOU 1639 O THR B 444 12061 11795 18086 -3518 3275 -4390 O ATOM 1640 CB THR B 444 -23.941 49.580 0.804 1.00112.27 C ANISOU 1640 CB THR B 444 11620 13469 17570 -3765 2685 -4598 C ATOM 1641 OG1 THR B 444 -24.841 48.926 -0.099 1.00114.14 O ANISOU 1641 OG1 THR B 444 12196 13408 17765 -3495 2649 -3909 O ATOM 1642 CG2 THR B 444 -23.096 48.531 1.515 1.00110.09 C ANISOU 1642 CG2 THR B 444 10947 14125 16757 -3769 2291 -4764 C ATOM 1643 H THR B 444 -25.741 48.763 2.246 1.00136.75 H ATOM 1644 HA THR B 444 -24.122 50.777 2.469 1.00136.99 H ATOM 1645 HB THR B 444 -23.350 50.164 0.304 1.00134.73 H ATOM 1646 HG1 THR B 444 -25.301 49.496 -0.510 1.00136.97 H ATOM 1647 HG21 THR B 444 -22.594 48.014 0.865 1.00132.11 H ATOM 1648 HG22 THR B 444 -22.474 48.963 2.122 1.00132.11 H ATOM 1649 HG23 THR B 444 -23.667 47.933 2.021 1.00132.11 H ATOM 1650 N PRO B 445 -24.939 52.806 1.312 1.00111.72 N ANISOU 1650 N PRO B 445 15201 8865 18381 -3276 3040 -1602 N ATOM 1651 CA PRO B 445 -25.621 53.981 0.752 1.00110.09 C ANISOU 1651 CA PRO B 445 15072 8373 18383 -3120 3113 -1613 C ATOM 1652 C PRO B 445 -25.521 54.078 -0.769 1.00108.58 C ANISOU 1652 C PRO B 445 14878 8104 18271 -3001 3077 -1311 C ATOM 1653 O PRO B 445 -24.606 53.514 -1.371 1.00111.19 O ANISOU 1653 O PRO B 445 15153 8586 18510 -3077 3021 -1135 O ATOM 1654 CB PRO B 445 -24.890 55.155 1.410 1.00110.95 C ANISOU 1654 CB PRO B 445 15257 8337 18563 -3257 3087 -1758 C ATOM 1655 CG PRO B 445 -23.537 54.630 1.719 1.00112.18 C ANISOU 1655 CG PRO B 445 15366 8699 18557 -3461 2989 -1682 C ATOM 1656 CD PRO B 445 -23.726 53.182 2.061 1.00110.71 C ANISOU 1656 CD PRO B 445 15086 8783 18197 -3489 2963 -1672 C ATOM 1657 HA PRO B 445 -26.554 53.991 1.018 1.00132.11 H ATOM 1658 HB2 PRO B 445 -24.837 55.898 0.789 1.00133.14 H ATOM 1659 HB3 PRO B 445 -25.352 55.416 2.222 1.00133.14 H ATOM 1660 HG2 PRO B 445 -22.966 54.724 0.941 1.00134.61 H ATOM 1661 HG3 PRO B 445 -23.166 55.113 2.475 1.00134.61 H ATOM 1662 HD2 PRO B 445 -22.966 52.661 1.757 1.00132.86 H ATOM 1663 HD3 PRO B 445 -23.871 53.076 3.014 1.00132.86 H ATOM 1664 N CYS B 446 -26.464 54.797 -1.373 1.00102.20 N ANISOU 1664 N CYS B 446 14122 7067 17643 -2833 3104 -1267 N ATOM 1665 CA CYS B 446 -26.509 54.957 -2.822 1.00 97.15 C ANISOU 1665 CA CYS B 446 13496 6353 17065 -2756 3055 -966 C ATOM 1666 C CYS B 446 -25.609 56.100 -3.268 1.00106.74 C ANISOU 1666 C CYS B 446 14784 7399 18374 -2884 2966 -849 C ATOM 1667 O CYS B 446 -25.654 57.194 -2.706 1.00110.43 O ANISOU 1667 O CYS B 446 15330 7634 18995 -2898 2929 -991 O ATOM 1668 CB CYS B 446 -27.941 55.226 -3.280 1.00 95.11 C ANISOU 1668 CB CYS B 446 13255 5914 16969 -2534 3077 -933 C ATOM 1669 SG CYS B 446 -28.100 55.506 -5.055 1.00113.38 S ANISOU 1669 SG CYS B 446 15603 8130 19345 -2482 2982 -536 S ATOM 1670 H CYS B 446 -27.096 55.207 -0.959 1.00122.64 H ATOM 1671 HA CYS B 446 -26.201 54.141 -3.245 1.00116.58 H ATOM 1672 HB2 CYS B 446 -28.491 54.461 -3.051 1.00114.13 H ATOM 1673 HB3 CYS B 446 -28.271 56.017 -2.825 1.00114.13 H ATOM 1674 N LYS B 447 -24.798 55.841 -4.289 1.00112.00 N ANISOU 1674 N LYS B 447 15422 8182 18951 -2994 2931 -603 N ATOM 1675 CA LYS B 447 -23.841 56.826 -4.777 1.00117.33 C ANISOU 1675 CA LYS B 447 16158 8743 19680 -3180 2845 -460 C ATOM 1676 C LYS B 447 -24.505 57.915 -5.616 1.00120.24 C ANISOU 1676 C LYS B 447 16636 8812 20238 -3129 2738 -276 C ATOM 1677 O LYS B 447 -24.081 59.069 -5.583 1.00127.09 O ANISOU 1677 O LYS B 447 17602 9455 21232 -3247 2623 -240 O ATOM 1678 CB LYS B 447 -22.736 56.142 -5.589 1.00118.86 C ANISOU 1678 CB LYS B 447 16253 9197 19711 -3352 2873 -287 C ATOM 1679 CG LYS B 447 -23.236 55.312 -6.766 1.00120.14 C ANISOU 1679 CG LYS B 447 16356 9496 19796 -3275 2927 -99 C ATOM 1680 CD LYS B 447 -22.086 54.709 -7.565 1.00123.12 C ANISOU 1680 CD LYS B 447 16612 10130 20037 -3468 2987 13 C ATOM 1681 CE LYS B 447 -21.311 53.673 -6.760 1.00125.27 C ANISOU 1681 CE LYS B 447 16746 10627 20225 -3491 3035 -189 C ATOM 1682 NZ LYS B 447 -20.193 53.072 -7.540 1.00128.11 N ANISOU 1682 NZ LYS B 447 16946 11225 20505 -3665 3112 -131 N ATOM 1683 H LYS B 447 -24.783 55.096 -4.719 1.00134.40 H ATOM 1684 HA LYS B 447 -23.423 57.256 -4.014 1.00140.80 H ATOM 1685 HB2 LYS B 447 -22.142 56.823 -5.940 1.00142.63 H ATOM 1686 HB3 LYS B 447 -22.241 55.549 -5.001 1.00142.63 H ATOM 1687 HG2 LYS B 447 -23.787 54.586 -6.433 1.00144.17 H ATOM 1688 HG3 LYS B 447 -23.752 55.880 -7.359 1.00144.17 H ATOM 1689 HD2 LYS B 447 -22.442 54.273 -8.355 1.00147.74 H ATOM 1690 HD3 LYS B 447 -21.471 55.415 -7.821 1.00147.74 H ATOM 1691 HE2 LYS B 447 -20.934 54.099 -5.973 1.00150.33 H ATOM 1692 HE3 LYS B 447 -21.913 52.959 -6.497 1.00150.33 H ATOM 1693 HZ1 LYS B 447 -19.762 52.473 -7.043 1.00153.73 H ATOM 1694 HZ2 LYS B 447 -20.513 52.669 -8.267 1.00153.73 H ATOM 1695 HZ3 LYS B 447 -19.621 53.707 -7.790 1.00153.73 H ATOM 1696 N PHE B 448 -25.543 57.548 -6.361 1.00118.51 N ANISOU 1696 N PHE B 448 16406 8576 20046 -2966 2747 -145 N ATOM 1697 CA PHE B 448 -26.204 58.486 -7.268 1.00121.93 C ANISOU 1697 CA PHE B 448 16936 8734 20660 -2930 2605 78 C ATOM 1698 C PHE B 448 -26.849 59.656 -6.526 1.00126.68 C ANISOU 1698 C PHE B 448 17622 8966 21544 -2805 2509 -106 C ATOM 1699 O PHE B 448 -27.656 59.462 -5.615 1.00126.71 O ANISOU 1699 O PHE B 448 17581 8933 21632 -2609 2599 -386 O ATOM 1700 CB PHE B 448 -27.244 57.760 -8.124 1.00117.12 C ANISOU 1700 CB PHE B 448 16284 8201 20014 -2772 2631 243 C ATOM 1701 CG PHE B 448 -26.648 56.962 -9.250 1.00112.23 C ANISOU 1701 CG PHE B 448 15613 7863 19166 -2931 2676 489 C ATOM 1702 CD1 PHE B 448 -26.273 55.643 -9.062 1.00111.18 C ANISOU 1702 CD1 PHE B 448 15363 8050 18829 -2923 2826 383 C ATOM 1703 CD2 PHE B 448 -26.457 57.537 -10.494 1.00110.47 C ANISOU 1703 CD2 PHE B 448 15455 7584 18935 -3111 2559 816 C ATOM 1704 CE1 PHE B 448 -25.721 54.911 -10.098 1.00108.26 C ANISOU 1704 CE1 PHE B 448 14926 7931 18277 -3062 2888 556 C ATOM 1705 CE2 PHE B 448 -25.906 56.811 -11.532 1.00109.01 C ANISOU 1705 CE2 PHE B 448 15205 7688 18526 -3287 2635 1006 C ATOM 1706 CZ PHE B 448 -25.536 55.498 -11.333 1.00108.56 C ANISOU 1706 CZ PHE B 448 15015 7941 18291 -3248 2815 854 C ATOM 1707 H PHE B 448 -25.887 56.760 -6.361 1.00142.21 H ATOM 1708 HA PHE B 448 -25.537 58.853 -7.868 1.00146.32 H ATOM 1709 HB2 PHE B 448 -27.744 57.149 -7.560 1.00140.54 H ATOM 1710 HB3 PHE B 448 -27.845 58.416 -8.511 1.00140.54 H ATOM 1711 HD1 PHE B 448 -26.394 55.244 -8.231 1.00133.41 H ATOM 1712 HD2 PHE B 448 -26.703 58.423 -10.634 1.00132.57 H ATOM 1713 HE1 PHE B 448 -25.473 54.025 -9.961 1.00129.91 H ATOM 1714 HE2 PHE B 448 -25.783 57.208 -12.364 1.00130.81 H ATOM 1715 HZ PHE B 448 -25.166 55.007 -12.031 1.00130.27 H ATOM 1716 N ARG B 449 -26.476 60.869 -6.931 1.00129.94 N ANISOU 1716 N ARG B 449 18156 9110 22106 -2939 2323 44 N ATOM 1717 CA ARG B 449 -26.980 62.097 -6.323 1.00130.53 C ANISOU 1717 CA ARG B 449 18323 8789 22484 -2833 2192 -130 C ATOM 1718 C ARG B 449 -27.529 63.032 -7.400 1.00131.16 C ANISOU 1718 C ARG B 449 18515 8550 22771 -2831 1947 170 C ATOM 1719 O ARG B 449 -26.779 63.828 -7.964 1.00130.20 O ANISOU 1719 O ARG B 449 18519 8297 22656 -3077 1769 401 O ATOM 1720 CB ARG B 449 -25.858 62.808 -5.559 1.00130.12 C ANISOU 1720 CB ARG B 449 18346 8663 22432 -3033 2148 -268 C ATOM 1721 CG ARG B 449 -25.166 61.943 -4.518 1.00126.65 C ANISOU 1721 CG ARG B 449 17809 8542 21771 -3092 2347 -522 C ATOM 1722 CD ARG B 449 -25.430 62.435 -3.105 1.00127.39 C ANISOU 1722 CD ARG B 449 17920 8489 21993 -3002 2395 -933 C ATOM 1723 NE ARG B 449 -24.954 61.478 -2.110 1.00125.66 N ANISOU 1723 NE ARG B 449 17608 8597 21539 -3067 2573 -1156 N ATOM 1724 CZ ARG B 449 -24.934 61.701 -0.799 1.00124.87 C ANISOU 1724 CZ ARG B 449 17513 8480 21451 -3080 2642 -1512 C ATOM 1725 NH1 ARG B 449 -25.357 62.860 -0.309 1.00125.89 N ANISOU 1725 NH1 ARG B 449 17725 8275 21832 -3007 2570 -1729 N ATOM 1726 NH2 ARG B 449 -24.484 60.763 0.024 1.00120.51 N ANISOU 1726 NH2 ARG B 449 16884 8244 20660 -3181 2768 -1658 N ATOM 1727 H ARG B 449 -25.920 61.008 -7.572 1.00155.93 H ATOM 1728 HA ARG B 449 -27.694 61.886 -5.701 1.00156.64 H ATOM 1729 HB2 ARG B 449 -25.186 63.100 -6.195 1.00156.15 H ATOM 1730 HB3 ARG B 449 -26.232 63.578 -5.102 1.00156.15 H ATOM 1731 HG2 ARG B 449 -25.497 61.034 -4.588 1.00151.99 H ATOM 1732 HG3 ARG B 449 -24.209 61.964 -4.671 1.00151.99 H ATOM 1733 HD2 ARG B 449 -24.965 63.274 -2.966 1.00152.87 H ATOM 1734 HD3 ARG B 449 -26.384 62.554 -2.981 1.00152.87 H ATOM 1735 HE ARG B 449 -24.668 60.717 -2.391 1.00150.79 H ATOM 1736 HH11 ARG B 449 -25.650 63.470 -0.840 1.00151.07 H ATOM 1737 HH12 ARG B 449 -25.341 62.999 0.539 1.00151.07 H ATOM 1738 HH21 ARG B 449 -24.207 60.012 -0.291 1.00144.61 H ATOM 1739 HH22 ARG B 449 -24.468 60.907 0.871 1.00144.61 H ATOM 1740 N PRO B 450 -28.837 62.945 -7.695 1.00136.66 N ANISOU 1740 N PRO B 450 19169 9124 23632 -2575 1919 182 N ATOM 1741 CA PRO B 450 -29.855 62.056 -7.124 1.00139.28 C ANISOU 1741 CA PRO B 450 19354 9597 23969 -2300 2112 -60 C ATOM 1742 C PRO B 450 -29.964 60.734 -7.873 1.00133.21 C ANISOU 1742 C PRO B 450 18504 9186 22925 -2316 2234 151 C ATOM 1743 O PRO B 450 -29.512 60.632 -9.014 1.00132.46 O ANISOU 1743 O PRO B 450 18458 9183 22687 -2502 2147 501 O ATOM 1744 CB PRO B 450 -31.140 62.856 -7.320 1.00144.85 C ANISOU 1744 CB PRO B 450 20062 9939 25035 -2052 1953 -75 C ATOM 1745 CG PRO B 450 -30.912 63.576 -8.604 1.00144.56 C ANISOU 1745 CG PRO B 450 20167 9718 25042 -2225 1684 357 C ATOM 1746 CD PRO B 450 -29.432 63.884 -8.664 1.00141.11 C ANISOU 1746 CD PRO B 450 19843 9357 24418 -2565 1649 466 C ATOM 1747 HA PRO B 450 -29.697 61.899 -6.180 1.00167.14 H ATOM 1748 HB2 PRO B 450 -31.897 62.254 -7.388 1.00173.82 H ATOM 1749 HB3 PRO B 450 -31.256 63.481 -6.587 1.00173.82 H ATOM 1750 HG2 PRO B 450 -31.170 63.005 -9.344 1.00173.47 H ATOM 1751 HG3 PRO B 450 -31.430 64.396 -8.611 1.00173.47 H ATOM 1752 HD2 PRO B 450 -29.088 63.713 -9.555 1.00169.34 H ATOM 1753 HD3 PRO B 450 -29.267 64.800 -8.391 1.00169.34 H ATOM 1754 N CYS B 451 -30.562 59.734 -7.233 1.00126.29 N ANISOU 1754 N CYS B 451 17506 8513 21965 -2147 2430 -68 N ATOM 1755 CA CYS B 451 -30.863 58.480 -7.906 1.00123.61 C ANISOU 1755 CA CYS B 451 17096 8471 21400 -2122 2524 109 C ATOM 1756 C CYS B 451 -32.038 58.699 -8.849 1.00125.69 C ANISOU 1756 C CYS B 451 17363 8569 21824 -1969 2392 345 C ATOM 1757 O CYS B 451 -32.972 59.435 -8.526 1.00123.51 O ANISOU 1757 O CYS B 451 17070 8006 21852 -1771 2313 221 O ATOM 1758 CB CYS B 451 -31.201 57.385 -6.893 1.00121.63 C ANISOU 1758 CB CYS B 451 16736 8457 21022 -2011 2735 -182 C ATOM 1759 SG CYS B 451 -31.516 55.763 -7.634 1.00104.23 S ANISOU 1759 SG CYS B 451 14459 6608 18536 -1986 2827 15 S ATOM 1760 H CYS B 451 -30.804 59.759 -6.408 1.00151.55 H ATOM 1761 HA CYS B 451 -30.096 58.196 -8.427 1.00148.34 H ATOM 1762 HB2 CYS B 451 -30.457 57.290 -6.278 1.00145.96 H ATOM 1763 HB3 CYS B 451 -31.998 57.647 -6.406 1.00145.96 H ATOM 1764 N THR B 452 -31.982 58.062 -10.015 1.00130.85 N ANISOU 1764 N THR B 452 18026 9411 22278 -2066 2364 672 N ATOM 1765 CA THR B 452 -33.037 58.176 -11.015 1.00135.49 C ANISOU 1765 CA THR B 452 18626 9889 22966 -1966 2220 947 C ATOM 1766 C THR B 452 -33.786 56.852 -11.132 1.00130.15 C ANISOU 1766 C THR B 452 17849 9477 22125 -1826 2361 951 C ATOM 1767 O THR B 452 -34.881 56.789 -11.690 1.00134.86 O ANISOU 1767 O THR B 452 18421 10000 22819 -1683 2275 1108 O ATOM 1768 CB THR B 452 -32.459 58.551 -12.391 1.00140.90 C ANISOU 1768 CB THR B 452 19422 10587 23525 -2240 2049 1357 C ATOM 1769 OG1 THR B 452 -31.434 59.540 -12.228 1.00142.21 O ANISOU 1769 OG1 THR B 452 19686 10599 23747 -2449 1955 1355 O ATOM 1770 CG2 THR B 452 -33.547 59.093 -13.308 1.00144.75 C ANISOU 1770 CG2 THR B 452 19957 10855 24184 -2162 1822 1640 C ATOM 1771 H THR B 452 -31.333 57.551 -10.253 1.00157.01 H ATOM 1772 HA THR B 452 -33.666 58.863 -10.746 1.00162.59 H ATOM 1773 HB THR B 452 -32.078 57.761 -12.805 1.00169.07 H ATOM 1774 HG1 THR B 452 -31.115 59.749 -12.977 1.00170.65 H ATOM 1775 HG21 THR B 452 -33.168 59.326 -14.170 1.00173.70 H ATOM 1776 HG22 THR B 452 -34.236 58.423 -13.436 1.00173.70 H ATOM 1777 HG23 THR B 452 -33.947 59.885 -12.915 1.00173.70 H ATOM 1778 N ASN B 453 -33.184 55.794 -10.596 1.00120.43 N ANISOU 1778 N ASN B 453 16563 8545 20649 -1876 2554 786 N ATOM 1779 CA ASN B 453 -33.781 54.467 -10.630 1.00114.94 C ANISOU 1779 CA ASN B 453 15791 8103 19778 -1771 2672 779 C ATOM 1780 C ASN B 453 -34.858 54.334 -9.558 1.00113.42 C ANISOU 1780 C ASN B 453 15514 7822 19758 -1537 2758 504 C ATOM 1781 O ASN B 453 -34.563 54.356 -8.363 1.00113.42 O ANISOU 1781 O ASN B 453 15482 7828 19783 -1537 2871 184 O ATOM 1782 CB ASN B 453 -32.693 53.410 -10.427 1.00112.45 C ANISOU 1782 CB ASN B 453 15447 8108 19169 -1922 2805 696 C ATOM 1783 CG ASN B 453 -33.162 52.008 -10.764 1.00111.48 C ANISOU 1783 CG ASN B 453 15271 8243 18842 -1860 2872 761 C ATOM 1784 OD1 ASN B 453 -34.350 51.697 -10.683 1.00114.68 O ANISOU 1784 OD1 ASN B 453 15645 8614 19313 -1684 2867 774 O ATOM 1785 ND2 ASN B 453 -32.222 51.149 -11.143 1.00110.17 N ANISOU 1785 ND2 ASN B 453 15086 8330 18446 -2007 2930 790 N ATOM 1786 H ASN B 453 -32.420 55.822 -10.203 1.00144.51 H ATOM 1787 HA ASN B 453 -34.192 54.321 -11.496 1.00137.93 H ATOM 1788 HB2 ASN B 453 -31.939 53.620 -11.000 1.00134.94 H ATOM 1789 HB3 ASN B 453 -32.415 53.418 -9.498 1.00134.94 H ATOM 1790 HD21 ASN B 453 -32.434 50.341 -11.345 1.00132.21 H ATOM 1791 HD22 ASN B 453 -31.401 51.402 -11.185 1.00132.21 H ATOM 1792 N ARG B 454 -36.107 54.194 -9.993 1.00111.23 N ANISOU 1792 N ARG B 454 15191 7478 19593 -1363 2708 629 N ATOM 1793 CA ARG B 454 -37.234 54.063 -9.073 1.00111.90 C ANISOU 1793 CA ARG B 454 15167 7484 19864 -1147 2807 373 C ATOM 1794 C ARG B 454 -37.246 52.707 -8.372 1.00111.56 C ANISOU 1794 C ARG B 454 15066 7791 19531 -1166 2960 217 C ATOM 1795 O ARG B 454 -38.092 52.456 -7.514 1.00112.69 O ANISOU 1795 O ARG B 454 15095 8053 19668 -1026 3019 -18 O ATOM 1796 CB ARG B 454 -38.556 54.267 -9.817 1.00112.42 C ANISOU 1796 CB ARG B 454 15180 7404 20131 -959 2685 582 C ATOM 1797 CG ARG B 454 -38.816 55.702 -10.245 1.00117.88 C ANISOU 1797 CG ARG B 454 15894 7736 21159 -891 2475 671 C ATOM 1798 CD ARG B 454 -39.162 56.587 -9.056 1.00123.20 C ANISOU 1798 CD ARG B 454 16479 8153 22177 -728 2532 254 C ATOM 1799 NE ARG B 454 -39.189 58.002 -9.417 1.00128.51 N ANISOU 1799 NE ARG B 454 17196 8464 23169 -688 2295 322 N ATOM 1800 CZ ARG B 454 -40.213 58.610 -10.009 1.00133.95 C ANISOU 1800 CZ ARG B 454 17825 8911 24161 -514 2095 472 C ATOM 1801 NH1 ARG B 454 -41.309 57.930 -10.321 1.00136.51 N ANISOU 1801 NH1 ARG B 454 18032 9327 24507 -359 2116 575 N ATOM 1802 NH2 ARG B 454 -40.138 59.903 -10.295 1.00133.79 N ANISOU 1802 NH2 ARG B 454 17865 8546 24425 -505 1850 532 N ATOM 1803 H ARG B 454 -36.331 54.173 -10.823 1.00133.48 H ATOM 1804 HA ARG B 454 -37.165 54.750 -8.391 1.00134.28 H ATOM 1805 HB2 ARG B 454 -38.552 53.718 -10.616 1.00134.91 H ATOM 1806 HB3 ARG B 454 -39.285 53.996 -9.237 1.00134.91 H ATOM 1807 HG2 ARG B 454 -38.018 56.059 -10.667 1.00141.46 H ATOM 1808 HG3 ARG B 454 -39.561 55.721 -10.865 1.00141.46 H ATOM 1809 HD2 ARG B 454 -40.040 56.344 -8.723 1.00147.83 H ATOM 1810 HD3 ARG B 454 -38.495 56.465 -8.362 1.00147.83 H ATOM 1811 HE ARG B 454 -38.494 58.475 -9.233 1.00154.21 H ATOM 1812 HH11 ARG B 454 -41.362 57.092 -10.138 1.00163.81 H ATOM 1813 HH12 ARG B 454 -41.968 58.329 -10.705 1.00163.81 H ATOM 1814 HH21 ARG B 454 -39.429 60.347 -10.095 1.00160.55 H ATOM 1815 HH22 ARG B 454 -40.798 60.297 -10.679 1.00160.55 H ATOM 1816 N SER B 455 -36.308 51.838 -8.744 1.00111.30 N ANISOU 1816 N SER B 455 15085 8005 19199 -1337 2975 338 N ATOM 1817 CA SER B 455 -36.194 50.514 -8.145 1.00110.58 C ANISOU 1817 CA SER B 455 14937 8294 18786 -1364 3023 221 C ATOM 1818 C SER B 455 -34.803 50.295 -7.556 1.00103.99 C ANISOU 1818 C SER B 455 14131 7562 17820 -1558 3072 71 C ATOM 1819 O SER B 455 -34.354 49.159 -7.414 1.00105.51 O ANISOU 1819 O SER B 455 14295 8033 17760 -1629 3059 63 O ATOM 1820 CB SER B 455 -36.492 49.436 -9.190 1.00113.88 C ANISOU 1820 CB SER B 455 15359 8928 18982 -1352 2955 498 C ATOM 1821 OG SER B 455 -37.789 49.602 -9.735 1.00119.28 O ANISOU 1821 OG SER B 455 16013 9529 19780 -1188 2893 659 O ATOM 1822 H SER B 455 -35.718 51.996 -9.349 1.00133.56 H ATOM 1823 HA SER B 455 -36.844 50.430 -7.429 1.00132.70 H ATOM 1824 HB2 SER B 455 -35.839 49.500 -9.904 1.00136.66 H ATOM 1825 HB3 SER B 455 -36.436 48.564 -8.768 1.00136.66 H ATOM 1826 HG SER B 455 -37.940 49.005 -10.306 1.00143.14 H ATOM 1827 N CYS B 456 -34.122 51.384 -7.213 1.00 96.63 N ANISOU 1827 N CYS B 456 13248 6387 17080 -1644 3105 -43 N ATOM 1828 CA CYS B 456 -32.794 51.289 -6.620 1.00 90.97 C ANISOU 1828 CA CYS B 456 12550 5755 16261 -1837 3141 -182 C ATOM 1829 C CYS B 456 -32.891 50.694 -5.219 1.00 86.86 C ANISOU 1829 C CYS B 456 11964 5440 15601 -1856 3183 -471 C ATOM 1830 O CYS B 456 -33.579 51.248 -4.363 1.00 92.49 O ANISOU 1830 O CYS B 456 12646 6074 16422 -1782 3234 -699 O ATOM 1831 CB CYS B 456 -32.136 52.663 -6.544 1.00 93.77 C ANISOU 1831 CB CYS B 456 12960 5892 16776 -1902 3098 -228 C ATOM 1832 SG CYS B 456 -30.438 52.623 -5.933 1.00102.99 S ANISOU 1832 SG CYS B 456 14135 7203 17794 -2140 3106 -353 S ATOM 1833 H CYS B 456 -34.407 52.189 -7.313 1.00115.96 H ATOM 1834 HA CYS B 456 -32.236 50.710 -7.163 1.00109.17 H ATOM 1835 HB2 CYS B 456 -32.123 53.053 -7.432 1.00112.52 H ATOM 1836 HB3 CYS B 456 -32.653 53.225 -5.945 1.00112.52 H ATOM 1837 N PRO B 457 -32.196 49.570 -4.974 1.00 83.77 N ANISOU 1837 N PRO B 457 11538 5322 14969 -1968 3146 -473 N ATOM 1838 CA PRO B 457 -32.326 48.888 -3.683 1.00 83.99 C ANISOU 1838 CA PRO B 457 11507 5576 14828 -2032 3132 -688 C ATOM 1839 C PRO B 457 -31.435 49.486 -2.599 1.00 86.75 C ANISOU 1839 C PRO B 457 11879 5870 15214 -2212 3173 -926 C ATOM 1840 O PRO B 457 -31.493 49.049 -1.449 1.00 84.75 O ANISOU 1840 O PRO B 457 11586 5806 14809 -2318 3157 -1110 O ATOM 1841 CB PRO B 457 -31.863 47.471 -4.007 1.00 77.35 C ANISOU 1841 CB PRO B 457 10628 4988 13774 -2084 3019 -551 C ATOM 1842 CG PRO B 457 -30.820 47.668 -5.051 1.00 77.34 C ANISOU 1842 CG PRO B 457 10653 4890 13841 -2136 3025 -403 C ATOM 1843 CD PRO B 457 -31.247 48.870 -5.861 1.00 82.47 C ANISOU 1843 CD PRO B 457 11371 5274 14691 -2056 3098 -290 C ATOM 1844 HA PRO B 457 -33.249 48.876 -3.387 1.00100.78 H ATOM 1845 HB2 PRO B 457 -31.488 47.056 -3.215 1.00 92.82 H ATOM 1846 HB3 PRO B 457 -32.606 46.952 -4.353 1.00 92.82 H ATOM 1847 HG2 PRO B 457 -29.964 47.833 -4.625 1.00 92.80 H ATOM 1848 HG3 PRO B 457 -30.773 46.879 -5.613 1.00 92.80 H ATOM 1849 HD2 PRO B 457 -30.483 49.437 -6.052 1.00 98.97 H ATOM 1850 HD3 PRO B 457 -31.692 48.588 -6.675 1.00 98.97 H ATOM 1851 N PHE B 458 -30.623 50.473 -2.962 1.00 90.19 N ANISOU 1851 N PHE B 458 12379 6060 15828 -2278 3210 -906 N ATOM 1852 CA PHE B 458 -29.665 51.054 -2.030 1.00 98.86 C ANISOU 1852 CA PHE B 458 13507 7102 16955 -2465 3231 -1105 C ATOM 1853 C PHE B 458 -30.315 52.091 -1.118 1.00106.72 C ANISOU 1853 C PHE B 458 14529 7922 18099 -2436 3321 -1391 C ATOM 1854 O PHE B 458 -31.383 52.624 -1.424 1.00108.69 O ANISOU 1854 O PHE B 458 14769 8019 18507 -2243 3359 -1410 O ATOM 1855 CB PHE B 458 -28.492 51.668 -2.797 1.00 99.06 C ANISOU 1855 CB PHE B 458 13560 7070 17007 -2522 3163 -944 C ATOM 1856 CG PHE B 458 -27.689 50.661 -3.570 1.00 97.20 C ANISOU 1856 CG PHE B 458 13264 7038 16629 -2576 3102 -755 C ATOM 1857 CD1 PHE B 458 -26.658 49.965 -2.962 1.00 96.47 C ANISOU 1857 CD1 PHE B 458 13108 7128 16418 -2728 3041 -829 C ATOM 1858 CD2 PHE B 458 -27.974 50.401 -4.900 1.00 96.68 C ANISOU 1858 CD2 PHE B 458 13194 6976 16565 -2481 3100 -521 C ATOM 1859 CE1 PHE B 458 -25.922 49.033 -3.669 1.00 96.84 C ANISOU 1859 CE1 PHE B 458 13070 7331 16395 -2759 2990 -707 C ATOM 1860 CE2 PHE B 458 -27.243 49.472 -5.611 1.00 97.38 C ANISOU 1860 CE2 PHE B 458 13211 7244 16545 -2537 3074 -408 C ATOM 1861 CZ PHE B 458 -26.215 48.787 -4.995 1.00 97.95 C ANISOU 1861 CZ PHE B 458 13202 7472 16545 -2664 3025 -519 C ATOM 1862 H PHE B 458 -30.607 50.825 -3.747 1.00108.23 H ATOM 1863 HA PHE B 458 -29.312 50.347 -1.467 1.00118.64 H ATOM 1864 HB2 PHE B 458 -28.837 52.320 -3.426 1.00118.87 H ATOM 1865 HB3 PHE B 458 -27.897 52.101 -2.165 1.00118.87 H ATOM 1866 HD1 PHE B 458 -26.458 50.127 -2.069 1.00115.76 H ATOM 1867 HD2 PHE B 458 -28.666 50.860 -5.319 1.00116.02 H ATOM 1868 HE1 PHE B 458 -25.230 48.573 -3.252 1.00116.21 H ATOM 1869 HE2 PHE B 458 -27.442 49.308 -6.504 1.00116.86 H ATOM 1870 HZ PHE B 458 -25.721 48.161 -5.473 1.00117.54 H ATOM 1871 N LEU B 459 -29.657 52.368 0.003 1.00110.31 N ANISOU 1871 N LEU B 459 15000 8410 18503 -2627 3341 -1625 N ATOM 1872 CA LEU B 459 -30.197 53.262 1.021 1.00113.53 C ANISOU 1872 CA LEU B 459 15418 8711 19009 -2629 3436 -1971 C ATOM 1873 C LEU B 459 -30.122 54.721 0.578 1.00116.08 C ANISOU 1873 C LEU B 459 15807 8677 19621 -2518 3425 -1987 C ATOM 1874 O LEU B 459 -29.075 55.189 0.130 1.00118.88 O ANISOU 1874 O LEU B 459 16216 8977 19976 -2588 3319 -1816 O ATOM 1875 CB LEU B 459 -29.432 53.071 2.333 1.00111.98 C ANISOU 1875 CB LEU B 459 15226 8700 18619 -2907 3433 -2194 C ATOM 1876 CG LEU B 459 -29.978 53.776 3.576 1.00113.81 C ANISOU 1876 CG LEU B 459 15448 8942 18854 -2966 3545 -2611 C ATOM 1877 CD1 LEU B 459 -31.383 53.298 3.909 1.00111.39 C ANISOU 1877 CD1 LEU B 459 15024 8875 18423 -2830 3612 -2745 C ATOM 1878 CD2 LEU B 459 -29.043 53.545 4.751 1.00115.87 C ANISOU 1878 CD2 LEU B 459 15733 9397 18894 -3300 3513 -2765 C ATOM 1879 H LEU B 459 -28.885 52.045 0.200 1.00132.37 H ATOM 1880 HA LEU B 459 -31.128 53.041 1.179 1.00136.24 H ATOM 1881 HB2 LEU B 459 -29.409 52.122 2.532 1.00134.37 H ATOM 1882 HB3 LEU B 459 -28.525 53.390 2.201 1.00134.37 H ATOM 1883 HG LEU B 459 -30.017 54.730 3.406 1.00136.57 H ATOM 1884 HD11 LEU B 459 -31.696 53.765 4.700 1.00133.66 H ATOM 1885 HD12 LEU B 459 -31.968 53.489 3.159 1.00133.66 H ATOM 1886 HD13 LEU B 459 -31.360 52.343 4.076 1.00133.66 H ATOM 1887 HD21 LEU B 459 -29.400 53.997 5.532 1.00139.04 H ATOM 1888 HD22 LEU B 459 -28.979 52.592 4.921 1.00139.04 H ATOM 1889 HD23 LEU B 459 -28.168 53.902 4.534 1.00139.04 H ATOM 1890 N HIS B 460 -31.241 55.430 0.711 1.00117.91 N ANISOU 1890 N HIS B 460 16016 8695 20090 -2339 3504 -2191 N ATOM 1891 CA HIS B 460 -31.336 56.831 0.305 1.00124.10 C ANISOU 1891 CA HIS B 460 16845 9135 21172 -2196 3428 -2199 C ATOM 1892 C HIS B 460 -31.588 57.738 1.507 1.00133.59 C ANISOU 1892 C HIS B 460 18037 10209 22512 -2209 3516 -2666 C ATOM 1893 O HIS B 460 -31.586 57.284 2.652 1.00134.79 O ANISOU 1893 O HIS B 460 18155 10574 22485 -2374 3649 -2977 O ATOM 1894 CB HIS B 460 -32.470 57.010 -0.708 1.00122.47 C ANISOU 1894 CB HIS B 460 16596 8743 21193 -1926 3387 -2025 C ATOM 1895 CG HIS B 460 -32.301 56.205 -1.958 1.00119.39 C ANISOU 1895 CG HIS B 460 16221 8477 20664 -1917 3302 -1584 C ATOM 1896 ND1 HIS B 460 -33.369 55.684 -2.657 1.00119.20 N ANISOU 1896 ND1 HIS B 460 16139 8459 20694 -1740 3310 -1427 N ATOM 1897 CD2 HIS B 460 -31.190 55.839 -2.640 1.00117.52 C ANISOU 1897 CD2 HIS B 460 16038 8378 20237 -2066 3212 -1293 C ATOM 1898 CE1 HIS B 460 -32.922 55.027 -3.713 1.00116.54 C ANISOU 1898 CE1 HIS B 460 15833 8262 20185 -1791 3228 -1060 C ATOM 1899 NE2 HIS B 460 -31.604 55.107 -3.726 1.00115.85 N ANISOU 1899 NE2 HIS B 460 15803 8260 19953 -1984 3178 -992 N ATOM 1900 H HIS B 460 -31.972 55.117 1.039 1.00141.49 H ATOM 1901 HA HIS B 460 -30.505 57.102 -0.115 1.00148.92 H ATOM 1902 HB2 HIS B 460 -33.305 56.740 -0.293 1.00146.96 H ATOM 1903 HB3 HIS B 460 -32.517 57.945 -0.962 1.00146.96 H ATOM 1904 HD1 HIS B 460 -34.196 55.771 -2.438 1.00143.04 H ATOM 1905 HD2 HIS B 460 -30.311 56.044 -2.415 1.00141.03 H ATOM 1906 HE1 HIS B 460 -33.447 54.585 -4.341 1.00139.85 H ATOM 1907 N GLU B 461 -31.801 59.022 1.232 1.00140.95 N ANISOU 1907 N GLU B 461 18999 10802 23755 -2057 3421 -2715 N ATOM 1908 CA GLU B 461 -32.167 59.994 2.258 1.00147.01 C ANISOU 1908 CA GLU B 461 19737 11411 24708 -2011 3487 -3186 C ATOM 1909 C GLU B 461 -33.275 60.905 1.731 1.00149.88 C ANISOU 1909 C GLU B 461 20033 11438 25477 -1690 3407 -3242 C ATOM 1910 O GLU B 461 -33.634 60.834 0.555 1.00150.26 O ANISOU 1910 O GLU B 461 20085 11366 25641 -1546 3278 -2870 O ATOM 1911 CB GLU B 461 -30.949 60.815 2.685 1.00149.05 C ANISOU 1911 CB GLU B 461 20122 11569 24942 -2206 3387 -3226 C ATOM 1912 CG GLU B 461 -29.895 60.003 3.426 1.00147.44 C ANISOU 1912 CG GLU B 461 19955 11700 24364 -2524 3454 -3239 C ATOM 1913 CD GLU B 461 -28.700 60.836 3.847 1.00152.08 C ANISOU 1913 CD GLU B 461 20660 12186 24937 -2716 3347 -3268 C ATOM 1914 OE1 GLU B 461 -28.689 62.053 3.565 1.00156.61 O ANISOU 1914 OE1 GLU B 461 21302 12415 25787 -2614 3219 -3284 O ATOM 1915 OE2 GLU B 461 -27.770 60.272 4.462 1.00151.34 O ANISOU 1915 OE2 GLU B 461 20590 12349 24562 -2977 3366 -3263 O ATOM 1916 H GLU B 461 -31.739 59.360 0.443 1.00169.14 H ATOM 1917 HA GLU B 461 -32.505 59.525 3.037 1.00176.41 H ATOM 1918 HB2 GLU B 461 -30.532 61.191 1.894 1.00178.86 H ATOM 1919 HB3 GLU B 461 -31.242 61.528 3.273 1.00178.86 H ATOM 1920 HG2 GLU B 461 -30.292 59.624 4.225 1.00176.93 H ATOM 1921 HG3 GLU B 461 -29.576 59.294 2.845 1.00176.93 H ATOM 1922 N GLU B 462 -33.811 61.756 2.601 1.00150.29 N ANISOU 1922 N GLU B 462 20013 11354 25739 -1585 3469 -3713 N ATOM 1923 CA GLU B 462 -34.974 62.574 2.260 1.00151.97 C ANISOU 1923 CA GLU B 462 20110 11271 26361 -1253 3391 -3841 C ATOM 1924 C GLU B 462 -34.738 63.494 1.062 1.00152.67 C ANISOU 1924 C GLU B 462 20317 10965 26726 -1151 3076 -3425 C ATOM 1925 O GLU B 462 -35.677 63.822 0.336 1.00156.26 O ANISOU 1925 O GLU B 462 20693 11208 27472 -898 2952 -3307 O ATOM 1926 CB GLU B 462 -35.418 63.407 3.467 1.00156.07 C ANISOU 1926 CB GLU B 462 20523 11734 27044 -1177 3499 -4462 C ATOM 1927 CG GLU B 462 -36.074 62.595 4.575 1.00155.28 C ANISOU 1927 CG GLU B 462 20250 12037 26712 -1238 3815 -4935 C ATOM 1928 CD GLU B 462 -36.763 63.465 5.613 1.00161.54 C ANISOU 1928 CD GLU B 462 20879 12807 27694 -1108 3926 -5574 C ATOM 1929 OE1 GLU B 462 -36.639 64.706 5.534 1.00164.92 O ANISOU 1929 OE1 GLU B 462 21347 12870 28446 -973 3745 -5651 O ATOM 1930 OE2 GLU B 462 -37.433 62.906 6.507 1.00162.39 O ANISOU 1930 OE2 GLU B 462 20811 13279 27609 -1155 4189 -6009 O ATOM 1931 H GLU B 462 -33.519 61.880 3.400 1.00180.35 H ATOM 1932 HA GLU B 462 -35.707 61.982 2.031 1.00182.37 H ATOM 1933 HB2 GLU B 462 -34.641 63.848 3.844 1.00187.29 H ATOM 1934 HB3 GLU B 462 -36.059 64.071 3.168 1.00187.29 H ATOM 1935 HG2 GLU B 462 -36.741 62.008 4.185 1.00186.33 H ATOM 1936 HG3 GLU B 462 -35.395 62.071 5.027 1.00186.33 H ATOM 1937 N GLY B 463 -33.488 63.900 0.857 1.00149.19 N ANISOU 1937 N GLY B 463 20062 10439 26183 -1372 2933 -3198 N ATOM 1938 CA GLY B 463 -33.146 64.827 -0.209 1.00146.68 C ANISOU 1938 CA GLY B 463 19885 9765 26083 -1355 2625 -2818 C ATOM 1939 C GLY B 463 -32.365 64.178 -1.335 1.00138.89 C ANISOU 1939 C GLY B 463 19007 8923 24843 -1543 2535 -2265 C ATOM 1940 O GLY B 463 -31.525 64.822 -1.966 1.00140.78 O ANISOU 1940 O GLY B 463 19403 8988 25099 -1699 2325 -1973 O ATOM 1941 H GLY B 463 -32.815 63.649 1.330 1.00179.02 H ATOM 1942 HA2 GLY B 463 -33.960 65.203 -0.580 1.00176.02 H ATOM 1943 HA3 GLY B 463 -32.613 65.551 0.154 1.00176.02 H ATOM 1944 N GLN B 464 -32.647 62.903 -1.590 1.00129.50 N ANISOU 1944 N GLN B 464 17731 8061 23414 -1541 2693 -2136 N ATOM 1945 CA GLN B 464 -31.955 62.144 -2.628 1.00120.39 C ANISOU 1945 CA GLN B 464 16645 7106 21994 -1707 2641 -1666 C ATOM 1946 C GLN B 464 -32.925 61.701 -3.724 1.00121.84 C ANISOU 1946 C GLN B 464 16768 7281 22245 -1537 2582 -1370 C ATOM 1947 O GLN B 464 -32.563 60.921 -4.604 1.00117.29 O ANISOU 1947 O GLN B 464 16218 6912 21433 -1648 2571 -1018 O ATOM 1948 CB GLN B 464 -31.267 60.926 -2.010 1.00112.44 C ANISOU 1948 CB GLN B 464 15603 6516 20604 -1889 2849 -1742 C ATOM 1949 CG GLN B 464 -29.834 60.713 -2.481 1.00112.32 C ANISOU 1949 CG GLN B 464 15684 6650 20342 -2158 2777 -1451 C ATOM 1950 CD GLN B 464 -29.092 59.675 -1.656 1.00112.42 C ANISOU 1950 CD GLN B 464 15653 7029 20033 -2332 2938 -1587 C ATOM 1951 OE1 GLN B 464 -29.451 59.403 -0.511 1.00114.15 O ANISOU 1951 OE1 GLN B 464 15814 7345 20210 -2322 3083 -1940 O ATOM 1952 NE2 GLN B 464 -28.051 59.089 -2.238 1.00109.24 N ANISOU 1952 NE2 GLN B 464 15266 6838 19401 -2509 2902 -1314 N ATOM 1953 H GLN B 464 -33.244 62.448 -1.168 1.00155.41 H ATOM 1954 HA GLN B 464 -31.275 62.704 -3.033 1.00144.47 H ATOM 1955 HB2 GLN B 464 -31.247 61.035 -1.046 1.00134.93 H ATOM 1956 HB3 GLN B 464 -31.774 60.132 -2.239 1.00134.93 H ATOM 1957 HG2 GLN B 464 -29.846 60.411 -3.403 1.00134.79 H ATOM 1958 HG3 GLN B 464 -29.351 61.552 -2.413 1.00134.79 H ATOM 1959 HE21 GLN B 464 -27.830 59.305 -3.041 1.00131.08 H ATOM 1960 HE22 GLN B 464 -27.599 58.495 -1.812 1.00131.08 H ATOM 1961 N ARG B 465 -34.156 62.207 -3.660 1.00131.85 N ANISOU 1961 N ARG B 465 17940 8317 23838 -1270 2541 -1530 N ATOM 1962 CA ARG B 465 -35.186 61.897 -4.649 1.00134.48 C ANISOU 1962 CA ARG B 465 18205 8610 24280 -1093 2458 -1260 C ATOM 1963 C ARG B 465 -34.696 62.191 -6.065 1.00134.17 C ANISOU 1963 C ARG B 465 18311 8471 24197 -1237 2207 -731 C ATOM 1964 O ARG B 465 -34.625 61.293 -6.905 1.00129.01 O ANISOU 1964 O ARG B 465 17665 8055 23299 -1320 2230 -411 O ATOM 1965 CB ARG B 465 -36.458 62.702 -4.349 1.00137.88 C ANISOU 1965 CB ARG B 465 18504 8742 25142 -785 2392 -1528 C ATOM 1966 CG ARG B 465 -37.524 62.676 -5.446 1.00137.54 C ANISOU 1966 CG ARG B 465 18396 8573 25289 -600 2226 -1213 C ATOM 1967 CD ARG B 465 -38.110 61.287 -5.656 1.00133.79 C ANISOU 1967 CD ARG B 465 17816 8435 24581 -557 2413 -1112 C ATOM 1968 NE ARG B 465 -39.037 60.914 -4.591 1.00134.98 N ANISOU 1968 NE ARG B 465 17765 8693 24829 -363 2650 -1578 N ATOM 1969 CZ ARG B 465 -39.806 59.829 -4.613 1.00134.22 C ANISOU 1969 CZ ARG B 465 17549 8835 24612 -283 2811 -1567 C ATOM 1970 NH1 ARG B 465 -39.766 58.999 -5.648 1.00131.78 N ANISOU 1970 NH1 ARG B 465 17309 8677 24085 -362 2751 -1111 N ATOM 1971 NH2 ARG B 465 -40.620 59.572 -3.598 1.00135.29 N ANISOU 1971 NH2 ARG B 465 17497 9077 24829 -138 3033 -2027 N ATOM 1972 H ARG B 465 -34.422 62.743 -3.042 1.00158.21 H ATOM 1973 HA ARG B 465 -35.405 60.954 -4.595 1.00161.38 H ATOM 1974 HB2 ARG B 465 -36.862 62.348 -3.542 1.00165.46 H ATOM 1975 HB3 ARG B 465 -36.208 63.629 -4.207 1.00165.46 H ATOM 1976 HG2 ARG B 465 -38.247 63.274 -5.199 1.00165.04 H ATOM 1977 HG3 ARG B 465 -37.125 62.964 -6.282 1.00165.04 H ATOM 1978 HD2 ARG B 465 -38.593 61.270 -6.497 1.00160.54 H ATOM 1979 HD3 ARG B 465 -37.390 60.637 -5.671 1.00160.54 H ATOM 1980 HE ARG B 465 -39.089 61.430 -3.905 1.00161.98 H ATOM 1981 HH11 ARG B 465 -39.240 59.162 -6.309 1.00158.14 H ATOM 1982 HH12 ARG B 465 -40.265 58.299 -5.657 1.00158.14 H ATOM 1983 HH21 ARG B 465 -40.650 60.106 -2.925 1.00162.35 H ATOM 1984 HH22 ARG B 465 -41.117 58.870 -3.612 1.00162.35 H TER 1985 ARG B 465 ATOM 1986 O5' A C 1 -20.397 42.150 -24.816 1.00 52.04 O ATOM 1987 C5' A C 1 -21.508 41.650 -25.553 1.00 53.63 C ATOM 1988 C4' A C 1 -22.556 41.051 -24.645 1.00 53.82 C ATOM 1989 O4' A C 1 -21.949 39.989 -23.855 1.00 54.51 O ATOM 1990 C3' A C 1 -23.175 42.020 -23.637 1.00 57.38 C ATOM 1991 O3' A C 1 -24.527 41.642 -23.377 1.00 63.71 O ATOM 1992 C2' A C 1 -22.342 41.769 -22.390 1.00 54.96 C ATOM 1993 O2' A C 1 -22.958 42.149 -21.178 1.00 66.41 O ATOM 1994 C1' A C 1 -22.137 40.263 -22.480 1.00 52.20 C ATOM 1995 N9 A C 1 -20.988 39.774 -21.718 1.00 55.00 N ATOM 1996 C8 A C 1 -21.032 38.926 -20.642 1.00 52.35 C ATOM 1997 N7 A C 1 -19.857 38.666 -20.128 1.00 52.67 N ATOM 1998 C5 A C 1 -18.983 39.406 -20.915 1.00 55.54 C ATOM 1999 C6 A C 1 -17.587 39.558 -20.879 1.00 51.39 C ATOM 2000 N6 A C 1 -16.811 38.945 -19.981 1.00 45.45 N ATOM 2001 N1 A C 1 -17.020 40.367 -21.806 1.00 48.90 N ATOM 2002 C2 A C 1 -17.809 40.975 -22.702 1.00 55.87 C ATOM 2003 N3 A C 1 -19.134 40.911 -22.836 1.00 56.42 N ATOM 2004 C4 A C 1 -19.666 40.101 -21.898 1.00 57.53 C ATOM 2005 H5' A C 1 -21.198 40.969 -26.170 1.00 64.36 H ATOM 2006 H5'' A C 1 -21.906 42.377 -26.058 1.00 64.36 H ATOM 2007 H4' A C 1 -23.263 40.672 -25.190 1.00 64.59 H ATOM 2008 H3' A C 1 -23.107 42.941 -23.935 1.00 68.85 H ATOM 2009 H2' A C 1 -21.486 42.218 -22.475 1.00 65.96 H ATOM 2010 HO2' A C 1 -23.052 42.983 -21.169 1.00 79.69 H ATOM 2011 H1' A C 1 -22.939 39.813 -22.171 1.00 62.63 H ATOM 2012 H8 A C 1 -21.822 38.564 -20.312 1.00 62.82 H ATOM 2013 H61 A C 1 -15.960 39.065 -19.995 1.00 54.54 H ATOM 2014 H62 A C 1 -17.163 38.430 -19.389 1.00 54.54 H ATOM 2015 H2 A C 1 -17.371 41.520 -23.315 1.00 67.04 H ATOM 2016 HO5' A C 1 -19.802 41.529 -24.346 1.00 62.45 H ATOM 2017 P A C 2 -25.752 42.632 -23.695 1.00 63.03 P ATOM 2018 OP1 A C 2 -25.248 43.870 -24.347 1.00 65.90 O ATOM 2019 OP2 A C 2 -26.574 42.736 -22.464 1.00 65.22 O ATOM 2020 O5' A C 2 -26.598 41.833 -24.781 1.00 72.08 O ATOM 2021 C5' A C 2 -26.699 40.414 -24.727 1.00 61.96 C ATOM 2022 C4' A C 2 -28.112 39.946 -24.968 1.00 59.34 C ATOM 2023 O4' A C 2 -28.148 38.502 -24.828 1.00 56.71 O ATOM 2024 C3' A C 2 -29.145 40.490 -23.989 1.00 61.17 C ATOM 2025 O3' A C 2 -30.410 40.608 -24.639 1.00 65.28 O ATOM 2026 C2' A C 2 -29.196 39.408 -22.914 1.00 59.01 C ATOM 2027 O2' A C 2 -30.403 39.364 -22.186 1.00 61.47 O ATOM 2028 C1' A C 2 -28.980 38.137 -23.738 1.00 58.39 C ATOM 2029 N9 A C 2 -28.297 37.053 -23.026 1.00 52.98 N ATOM 2030 C8 A C 2 -28.612 35.718 -23.063 1.00 48.13 C ATOM 2031 N7 A C 2 -27.808 34.963 -22.356 1.00 50.64 N ATOM 2032 C5 A C 2 -26.892 35.856 -21.825 1.00 48.07 C ATOM 2033 C6 A C 2 -25.778 35.677 -20.986 1.00 48.62 C ATOM 2034 N6 A C 2 -25.393 34.489 -20.515 1.00 43.11 N ATOM 2035 N1 A C 2 -25.066 36.772 -20.639 1.00 48.57 N ATOM 2036 C2 A C 2 -25.454 37.962 -21.111 1.00 45.64 C ATOM 2037 N3 A C 2 -26.479 38.253 -21.908 1.00 51.18 N ATOM 2038 C4 A C 2 -27.170 37.146 -22.236 1.00 50.83 C ATOM 2039 H5' A C 2 -26.410 40.110 -23.852 1.00 74.35 H ATOM 2040 H5'' A C 2 -26.120 40.030 -25.403 1.00 74.35 H ATOM 2041 H4' A C 2 -28.376 40.184 -25.870 1.00 71.20 H ATOM 2042 H3' A C 2 -28.859 41.339 -23.616 1.00 73.41 H ATOM 2043 H2' A C 2 -28.452 39.526 -22.302 1.00 70.81 H ATOM 2044 HO2' A C 2 -30.485 40.076 -21.748 1.00 73.76 H ATOM 2045 H1' A C 2 -29.833 37.819 -24.074 1.00 70.06 H ATOM 2046 H8 A C 2 -29.336 35.381 -23.539 1.00 57.76 H ATOM 2047 H61 A C 2 -24.705 34.433 -20.002 1.00 51.73 H ATOM 2048 H62 A C 2 -25.832 33.780 -20.724 1.00 51.73 H ATOM 2049 H2 A C 2 -24.933 38.686 -20.847 1.00 54.77 H ATOM 2050 P A C 3 -31.278 41.954 -24.493 1.00 79.18 P ATOM 2051 OP1 A C 3 -31.182 42.393 -23.075 1.00 81.70 O ATOM 2052 OP2 A C 3 -32.617 41.699 -25.086 1.00 85.61 O ATOM 2053 O5' A C 3 -30.524 43.013 -25.418 1.00 93.08 O ATOM 2054 C5' A C 3 -29.423 43.774 -24.926 1.00 95.66 C ATOM 2055 C4' A C 3 -29.758 45.243 -24.821 1.00 96.44 C ATOM 2056 O4' A C 3 -29.859 45.808 -26.157 1.00 91.79 O ATOM 2057 C3' A C 3 -31.081 45.559 -24.125 1.00 99.80 C ATOM 2058 O3' A C 3 -30.970 46.783 -23.399 1.00101.35 O ATOM 2059 C2' A C 3 -32.042 45.736 -25.294 1.00100.32 C ATOM 2060 O2' A C 3 -33.178 46.524 -25.008 1.00107.66 O ATOM 2061 C1' A C 3 -31.137 46.391 -26.333 1.00 91.80 C ATOM 2062 N9 A C 3 -31.559 46.175 -27.719 1.00 86.61 N ATOM 2063 C8 A C 3 -31.554 45.002 -28.433 1.00 86.71 C ATOM 2064 N7 A C 3 -31.993 45.129 -29.662 1.00 86.11 N ATOM 2065 C5 A C 3 -32.304 46.479 -29.765 1.00 83.69 C ATOM 2066 C6 A C 3 -32.819 47.257 -30.818 1.00 80.25 C ATOM 2067 N6 A C 3 -33.122 46.767 -32.023 1.00 81.23 N ATOM 2068 N1 A C 3 -33.013 48.574 -30.590 1.00 77.89 N ATOM 2069 C2 A C 3 -32.710 49.069 -29.382 1.00 80.18 C ATOM 2070 N3 A C 3 -32.222 48.442 -28.314 1.00 81.71 N ATOM 2071 C4 A C 3 -32.038 47.135 -28.576 1.00 84.89 C ATOM 2072 H5' A C 3 -28.670 43.665 -25.528 1.00114.80 H ATOM 2073 H5'' A C 3 -29.177 43.443 -24.049 1.00114.80 H ATOM 2074 H4' A C 3 -29.041 45.692 -24.346 1.00115.73 H ATOM 2075 H3' A C 3 -31.359 44.829 -23.549 1.00119.75 H ATOM 2076 H2' A C 3 -32.324 44.865 -25.615 1.00120.39 H ATOM 2077 HO2' A C 3 -33.648 46.129 -24.434 1.00129.19 H ATOM 2078 H1' A C 3 -31.082 47.344 -26.157 1.00110.16 H ATOM 2079 H8 A C 3 -31.268 44.192 -28.076 1.00104.06 H ATOM 2080 H61 A C 3 -33.434 47.288 -32.632 1.00 97.47 H ATOM 2081 H62 A C 3 -33.005 45.932 -32.189 1.00 97.47 H ATOM 2082 H2 A C 3 -32.861 49.980 -29.275 1.00 96.22 H ATOM 2083 P A C 4 -30.959 46.781 -21.791 1.00172.26 P ATOM 2084 OP1 A C 4 -30.191 47.971 -21.346 1.00170.38 O ATOM 2085 OP2 A C 4 -30.554 45.432 -21.317 1.00172.08 O ATOM 2086 O5' A C 4 -32.485 47.004 -21.392 1.00162.83 O ATOM 2087 C5' A C 4 -32.935 46.762 -20.066 1.00161.98 C ATOM 2088 C4' A C 4 -33.767 47.906 -19.542 1.00160.64 C ATOM 2089 O4' A C 4 -33.029 49.150 -19.677 1.00160.49 O ATOM 2090 C3' A C 4 -35.077 48.168 -20.271 1.00159.13 C ATOM 2091 O3' A C 4 -36.126 47.312 -19.854 1.00157.24 O ATOM 2092 C2' A C 4 -35.332 49.639 -19.974 1.00159.73 C ATOM 2093 O2' A C 4 -35.872 49.814 -18.671 1.00158.89 O ATOM 2094 C1' A C 4 -33.912 50.203 -20.004 1.00159.31 C ATOM 2095 N9 A C 4 -33.551 50.712 -21.341 1.00156.11 N ATOM 2096 C8 A C 4 -32.884 50.037 -22.332 1.00155.71 C ATOM 2097 N7 A C 4 -32.702 50.739 -23.422 1.00154.77 N ATOM 2098 C5 A C 4 -33.294 51.959 -23.131 1.00152.38 C ATOM 2099 C6 A C 4 -33.439 53.138 -23.882 1.00148.41 C ATOM 2100 N6 A C 4 -32.981 53.287 -25.127 1.00145.28 N ATOM 2101 N1 A C 4 -34.079 54.174 -23.299 1.00147.75 N ATOM 2102 C2 A C 4 -34.537 54.028 -22.050 1.00147.99 C ATOM 2103 N3 A C 4 -34.463 52.971 -21.245 1.00149.88 N ATOM 2104 C4 A C 4 -33.822 51.958 -21.852 1.00152.73 C ATOM 2105 H5' A C 4 -32.165 46.640 -19.489 1.00194.38 H ATOM 2106 H5'' A C 4 -33.468 45.952 -20.056 1.00194.38 H ATOM 2107 H4' A C 4 -33.956 47.752 -18.602 1.00192.76 H ATOM 2108 H3' A C 4 -34.937 48.057 -21.225 1.00190.96 H ATOM 2109 H2' A C 4 -35.891 50.048 -20.653 1.00191.67 H ATOM 2110 HO2' A C 4 -36.653 49.504 -18.655 1.00190.67 H ATOM 2111 H1' A C 4 -33.829 50.914 -19.350 1.00191.17 H ATOM 2112 H8 A C 4 -32.585 49.161 -22.237 1.00186.85 H ATOM 2113 H61 A C 4 -33.097 54.031 -25.541 1.00174.34 H ATOM 2114 H62 A C 4 -32.571 52.638 -25.515 1.00174.34 H ATOM 2115 H2 A C 4 -34.971 54.770 -21.695 1.00177.59 H TER 2116 A C 4 ATOM 2117 P A D 1 -28.784 30.378 -33.088 1.00158.37 P ATOM 2118 OP1 A D 1 -27.659 29.436 -32.860 1.00155.42 O ATOM 2119 OP2 A D 1 -29.374 30.506 -34.446 1.00158.23 O ATOM 2120 O5' A D 1 -29.957 30.012 -32.072 1.00138.89 O ATOM 2121 C5' A D 1 -30.327 30.913 -31.033 1.00137.36 C ATOM 2122 C4' A D 1 -31.003 30.208 -29.881 1.00136.38 C ATOM 2123 O4' A D 1 -30.571 28.820 -29.852 1.00136.91 O ATOM 2124 C3' A D 1 -30.684 30.786 -28.504 1.00135.46 C ATOM 2125 O3' A D 1 -31.824 30.692 -27.646 1.00135.97 O ATOM 2126 C2' A D 1 -29.561 29.878 -28.004 1.00133.26 C ATOM 2127 O2' A D 1 -29.448 29.802 -26.599 1.00128.30 O ATOM 2128 C1' A D 1 -29.948 28.531 -28.614 1.00137.82 C ATOM 2129 N9 A D 1 -28.812 27.642 -28.880 1.00141.69 N ATOM 2130 C8 A D 1 -28.334 27.266 -30.112 1.00141.95 C ATOM 2131 N7 A D 1 -27.311 26.448 -30.061 1.00142.38 N ATOM 2132 C5 A D 1 -27.103 26.262 -28.701 1.00140.92 C ATOM 2133 C6 A D 1 -26.161 25.499 -27.987 1.00137.11 C ATOM 2134 N6 A D 1 -25.217 24.753 -28.566 1.00133.88 N ATOM 2135 N1 A D 1 -26.223 25.529 -26.639 1.00138.80 N ATOM 2136 C2 A D 1 -27.170 26.278 -26.057 1.00140.20 C ATOM 2137 N3 A D 1 -28.110 27.037 -26.619 1.00140.47 N ATOM 2138 C4 A D 1 -28.026 26.983 -27.960 1.00141.83 C ATOM 2139 H5' A D 1 -30.933 31.579 -31.394 1.00164.83 H ATOM 2140 H5'' A D 1 -29.530 31.358 -30.705 1.00164.83 H ATOM 2141 H4' A D 1 -31.963 30.235 -30.018 1.00163.66 H ATOM 2142 H3' A D 1 -30.379 31.703 -28.578 1.00162.55 H ATOM 2143 H2' A D 1 -28.717 30.172 -28.381 1.00159.91 H ATOM 2144 HO2' A D 1 -29.617 29.017 -26.353 1.00153.96 H ATOM 2145 H1' A D 1 -30.581 28.083 -28.031 1.00165.38 H ATOM 2146 H8 A D 1 -28.699 27.571 -30.911 1.00170.34 H ATOM 2147 H61 A D 1 -24.666 24.305 -28.081 1.00160.66 H ATOM 2148 H62 A D 1 -25.160 24.720 -29.423 1.00160.66 H ATOM 2149 H2 A D 1 -27.172 26.265 -25.127 1.00168.24 H ATOM 2150 P A D 2 -33.008 31.782 -27.736 1.00139.38 P ATOM 2151 OP1 A D 2 -34.256 31.131 -27.261 1.00137.23 O ATOM 2152 OP2 A D 2 -32.971 32.400 -29.085 1.00139.12 O ATOM 2153 O5' A D 2 -32.605 32.903 -26.674 1.00 85.84 O ATOM 2154 C5' A D 2 -31.294 33.457 -26.661 1.00 75.12 C ATOM 2155 C4' A D 2 -31.262 34.867 -26.121 1.00 68.20 C ATOM 2156 O4' A D 2 -29.875 35.291 -26.041 1.00 66.33 O ATOM 2157 C3' A D 2 -31.961 35.909 -26.984 1.00 66.96 C ATOM 2158 O3' A D 2 -32.397 36.988 -26.154 1.00 65.38 O ATOM 2159 C2' A D 2 -30.834 36.384 -27.893 1.00 70.34 C ATOM 2160 O2' A D 2 -31.038 37.657 -28.467 1.00 71.58 O ATOM 2161 C1' A D 2 -29.649 36.374 -26.928 1.00 65.99 C ATOM 2162 N9 A D 2 -28.347 36.164 -27.564 1.00 60.70 N ATOM 2163 C8 A D 2 -27.286 37.035 -27.612 1.00 57.76 C ATOM 2164 N7 A D 2 -26.242 36.559 -28.244 1.00 53.50 N ATOM 2165 C5 A D 2 -26.634 35.289 -28.636 1.00 52.20 C ATOM 2166 C6 A D 2 -25.975 34.271 -29.347 1.00 57.94 C ATOM 2167 N6 A D 2 -24.727 34.373 -29.811 1.00 55.24 N ATOM 2168 N1 A D 2 -26.649 33.121 -29.567 1.00 62.17 N ATOM 2169 C2 A D 2 -27.899 33.017 -29.104 1.00 59.78 C ATOM 2170 N3 A D 2 -28.625 33.902 -28.425 1.00 60.45 N ATOM 2171 C4 A D 2 -27.929 35.032 -28.223 1.00 59.47 C ATOM 2172 H5' A D 2 -30.947 33.461 -27.567 1.00 90.14 H ATOM 2173 H5'' A D 2 -30.724 32.898 -26.110 1.00 90.14 H ATOM 2174 H4' A D 2 -31.650 34.877 -25.232 1.00 81.84 H ATOM 2175 H3' A D 2 -32.692 35.523 -27.491 1.00 80.35 H ATOM 2176 H2' A D 2 -30.686 35.730 -28.594 1.00 84.41 H ATOM 2177 HO2' A D 2 -30.460 38.188 -28.168 1.00 85.89 H ATOM 2178 H1' A D 2 -29.634 37.205 -26.426 1.00 79.18 H ATOM 2179 H8 A D 2 -27.309 37.885 -27.235 1.00 69.31 H ATOM 2180 H61 A D 2 -24.373 33.716 -30.238 1.00 66.29 H ATOM 2181 H62 A D 2 -24.279 35.095 -29.683 1.00 66.29 H ATOM 2182 H2 A D 2 -28.323 32.208 -29.282 1.00 71.74 H ATOM 2183 P A D 3 -33.885 37.584 -26.276 1.00 88.70 P ATOM 2184 OP1 A D 3 -34.499 37.063 -27.523 1.00 87.96 O ATOM 2185 OP2 A D 3 -33.810 39.053 -26.059 1.00 82.75 O ATOM 2186 O5' A D 3 -34.661 36.959 -25.030 1.00103.33 O ATOM 2187 C5' A D 3 -35.201 35.642 -25.088 1.00 99.41 C ATOM 2188 C4' A D 3 -36.686 35.638 -25.378 1.00 97.67 C ATOM 2189 O4' A D 3 -37.424 35.341 -24.156 1.00 91.71 O ATOM 2190 C3' A D 3 -37.268 36.948 -25.925 1.00101.61 C ATOM 2191 O3' A D 3 -38.216 36.676 -26.959 1.00106.60 O ATOM 2192 C2' A D 3 -37.975 37.546 -24.713 1.00 96.43 C ATOM 2193 O2' A D 3 -39.042 38.417 -25.022 1.00 99.37 O ATOM 2194 C1' A D 3 -38.455 36.292 -23.990 1.00 86.70 C ATOM 2195 N9 A D 3 -38.726 36.498 -22.562 1.00 71.24 N ATOM 2196 C8 A D 3 -37.884 36.944 -21.572 1.00 69.14 C ATOM 2197 N7 A D 3 -38.461 37.044 -20.395 1.00 65.71 N ATOM 2198 C5 A D 3 -39.773 36.647 -20.622 1.00 57.23 C ATOM 2199 C6 A D 3 -40.900 36.527 -19.784 1.00 55.55 C ATOM 2200 N6 A D 3 -40.905 36.807 -18.479 1.00 62.65 N ATOM 2201 N1 A D 3 -42.055 36.104 -20.339 1.00 54.96 N ATOM 2202 C2 A D 3 -42.069 35.817 -21.645 1.00 50.03 C ATOM 2203 N3 A D 3 -41.080 35.887 -22.531 1.00 56.45 N ATOM 2204 C4 A D 3 -39.945 36.312 -21.952 1.00 57.98 C ATOM 2205 H5' A D 3 -35.046 35.202 -24.238 1.00119.29 H ATOM 2206 H5'' A D 3 -34.744 35.146 -25.786 1.00119.29 H ATOM 2207 H4' A D 3 -36.867 34.935 -26.020 1.00117.21 H ATOM 2208 H3' A D 3 -36.564 37.535 -26.241 1.00121.93 H ATOM 2209 H2' A D 3 -37.328 38.010 -24.159 1.00115.72 H ATOM 2210 HO2' A D 3 -38.737 39.093 -25.418 1.00119.25 H ATOM 2211 H1' A D 3 -39.260 35.966 -24.421 1.00104.04 H ATOM 2212 H8 A D 3 -36.990 37.151 -21.720 1.00 82.97 H ATOM 2213 H61 A D 3 -41.628 36.715 -18.022 1.00 75.18 H ATOM 2214 H62 A D 3 -40.185 37.078 -18.094 1.00 75.18 H ATOM 2215 H2 A D 3 -42.887 35.529 -21.982 1.00 60.04 H ATOM 2216 P A D 4 -38.031 37.315 -28.426 1.00119.81 P ATOM 2217 OP1 A D 4 -38.142 36.211 -29.411 1.00118.84 O ATOM 2218 OP2 A D 4 -36.839 38.199 -28.452 1.00118.41 O ATOM 2219 O5' A D 4 -39.297 38.265 -28.602 1.00108.81 O ATOM 2220 C5' A D 4 -39.308 39.270 -29.607 1.00107.03 C ATOM 2221 C4' A D 4 -40.705 39.763 -29.891 1.00102.05 C ATOM 2222 O4' A D 4 -41.569 38.638 -30.208 1.00 99.41 O ATOM 2223 C3' A D 4 -41.413 40.461 -28.740 1.00101.30 C ATOM 2224 O3' A D 4 -41.031 41.817 -28.588 1.00101.46 O ATOM 2225 C2' A D 4 -42.882 40.270 -29.095 1.00100.42 C ATOM 2226 O2' A D 4 -43.296 41.190 -30.095 1.00102.56 O ATOM 2227 C1' A D 4 -42.864 38.864 -29.690 1.00 94.50 C ATOM 2228 N9 A D 4 -43.142 37.837 -28.669 1.00 82.16 N ATOM 2229 C8 A D 4 -42.231 37.060 -27.995 1.00 79.41 C ATOM 2230 N7 A D 4 -42.772 36.234 -27.133 1.00 73.68 N ATOM 2231 C5 A D 4 -44.132 36.489 -27.247 1.00 66.80 C ATOM 2232 C6 A D 4 -45.250 35.940 -26.598 1.00 57.34 C ATOM 2233 N6 A D 4 -45.160 34.983 -25.671 1.00 60.94 N ATOM 2234 N1 A D 4 -46.472 36.412 -26.938 1.00 49.21 N ATOM 2235 C2 A D 4 -46.551 37.375 -27.868 1.00 60.68 C ATOM 2236 N3 A D 4 -45.574 37.969 -28.549 1.00 68.88 N ATOM 2237 C4 A D 4 -44.376 37.476 -28.186 1.00 71.25 C ATOM 2238 H5' A D 4 -38.930 38.904 -30.422 1.00128.44 H ATOM 2239 H5'' A D 4 -38.763 40.016 -29.313 1.00128.44 H ATOM 2240 H4' A D 4 -40.677 40.363 -30.653 1.00122.45 H ATOM 2241 H3' A D 4 -41.223 39.985 -27.916 1.00121.57 H ATOM 2242 H2' A D 4 -43.447 40.315 -28.308 1.00120.51 H ATOM 2243 HO2' A D 4 -43.306 41.964 -29.768 1.00123.07 H ATOM 2244 H1' A D 4 -43.517 38.802 -30.405 1.00113.40 H ATOM 2245 H8 A D 4 -41.314 37.114 -28.139 1.00 95.29 H ATOM 2246 H61 A D 4 -45.873 34.675 -25.300 1.00 73.13 H ATOM 2247 H62 A D 4 -44.390 34.674 -25.445 1.00 73.13 H ATOM 2248 H2 A D 4 -47.411 37.666 -28.069 1.00 72.81 H TER 2249 A D 4 ATOM 2250 P A E 1 -28.870 19.282 -25.415 1.00137.77 P ATOM 2251 OP1 A E 1 -29.013 18.812 -26.817 1.00134.83 O ATOM 2252 OP2 A E 1 -28.887 20.738 -25.122 1.00137.60 O ATOM 2253 O5' A E 1 -30.010 18.588 -24.543 1.00123.35 O ATOM 2254 C5' A E 1 -31.341 19.098 -24.533 1.00121.89 C ATOM 2255 C4' A E 1 -32.277 18.219 -25.325 1.00120.63 C ATOM 2256 O4' A E 1 -32.038 16.832 -24.970 1.00117.68 O ATOM 2257 C3' A E 1 -33.761 18.461 -25.080 1.00117.51 C ATOM 2258 O3' A E 1 -34.487 18.131 -26.262 1.00115.76 O ATOM 2259 C2' A E 1 -34.080 17.451 -23.984 1.00113.20 C ATOM 2260 O2' A E 1 -35.443 17.094 -23.886 1.00112.52 O ATOM 2261 C1' A E 1 -33.212 16.270 -24.408 1.00106.69 C ATOM 2262 N9 A E 1 -32.793 15.393 -23.318 1.00 85.14 N ATOM 2263 C8 A E 1 -31.818 15.654 -22.389 1.00 79.67 C ATOM 2264 N7 A E 1 -31.621 14.676 -21.544 1.00 77.02 N ATOM 2265 C5 A E 1 -32.516 13.703 -21.960 1.00 73.02 C ATOM 2266 C6 A E 1 -32.789 12.423 -21.463 1.00 73.73 C ATOM 2267 N6 A E 1 -32.147 11.922 -20.405 1.00 78.08 N ATOM 2268 N1 A E 1 -33.739 11.693 -22.093 1.00 71.73 N ATOM 2269 C2 A E 1 -34.365 12.233 -23.150 1.00 73.10 C ATOM 2270 N3 A E 1 -34.192 13.431 -23.711 1.00 75.55 N ATOM 2271 C4 A E 1 -33.241 14.122 -23.059 1.00 76.15 C ATOM 2272 H5' A E 1 -31.341 19.989 -24.918 1.00146.26 H ATOM 2273 H5'' A E 1 -31.654 19.149 -23.616 1.00146.26 H ATOM 2274 H4' A E 1 -32.093 18.337 -26.270 1.00144.76 H ATOM 2275 H3' A E 1 -33.933 19.370 -24.790 1.00141.02 H ATOM 2276 H2' A E 1 -33.770 17.790 -23.129 1.00135.84 H ATOM 2277 HO2' A E 1 -35.529 16.282 -24.083 1.00135.02 H ATOM 2278 H1' A E 1 -33.677 15.751 -25.083 1.00128.02 H ATOM 2279 H8 A E 1 -31.348 16.456 -22.357 1.00 95.60 H ATOM 2280 H61 A E 1 -32.337 11.133 -20.120 1.00 93.70 H ATOM 2281 H62 A E 1 -31.544 12.389 -20.007 1.00 93.70 H ATOM 2282 H2 A E 1 -35.007 11.694 -23.552 1.00 87.73 H ATOM 2283 P A E 2 -34.571 19.171 -27.482 1.00132.12 P ATOM 2284 OP1 A E 2 -34.502 18.389 -28.743 1.00133.64 O ATOM 2285 OP2 A E 2 -33.590 20.261 -27.242 1.00134.56 O ATOM 2286 O5' A E 2 -36.039 19.776 -27.361 1.00100.23 O ATOM 2287 C5' A E 2 -36.774 19.665 -26.147 1.00107.10 C ATOM 2288 C4' A E 2 -37.476 18.335 -26.043 1.00111.14 C ATOM 2289 O4' A E 2 -38.217 18.291 -24.792 1.00112.00 O ATOM 2290 C3' A E 2 -38.489 18.050 -27.150 1.00107.75 C ATOM 2291 O3' A E 2 -38.507 16.654 -27.447 1.00106.84 O ATOM 2292 C2' A E 2 -39.810 18.464 -26.512 1.00109.22 C ATOM 2293 O2' A E 2 -40.950 17.839 -27.063 1.00110.05 O ATOM 2294 C1' A E 2 -39.586 18.056 -25.057 1.00108.49 C ATOM 2295 N9 A E 2 -40.385 18.812 -24.090 1.00 94.60 N ATOM 2296 C8 A E 2 -40.109 20.019 -23.493 1.00 80.37 C ATOM 2297 N7 A E 2 -41.042 20.416 -22.660 1.00 72.00 N ATOM 2298 C5 A E 2 -41.989 19.400 -22.710 1.00 85.99 C ATOM 2299 C6 A E 2 -43.223 19.206 -22.062 1.00 93.37 C ATOM 2300 N6 A E 2 -43.749 20.068 -21.190 1.00 95.73 N ATOM 2301 N1 A E 2 -43.913 18.078 -22.343 1.00101.93 N ATOM 2302 C2 A E 2 -43.395 17.207 -23.217 1.00103.01 C ATOM 2303 N3 A E 2 -42.249 17.276 -23.888 1.00 99.63 N ATOM 2304 C4 A E 2 -41.589 18.405 -23.582 1.00 94.10 C ATOM 2305 H5' A E 2 -37.434 20.375 -26.110 1.00128.52 H ATOM 2306 H5'' A E 2 -36.164 19.760 -25.398 1.00128.52 H ATOM 2307 H4' A E 2 -36.811 17.629 -26.038 1.00133.37 H ATOM 2308 H3' A E 2 -38.301 18.579 -27.941 1.00129.30 H ATOM 2309 H2' A E 2 -39.909 19.428 -26.567 1.00131.06 H ATOM 2310 HO2' A E 2 -41.302 17.349 -26.479 1.00132.06 H ATOM 2311 H1' A E 2 -39.774 17.110 -24.958 1.00130.19 H ATOM 2312 H8 A E 2 -39.338 20.509 -23.666 1.00 96.45 H ATOM 2313 H61 A E 2 -44.508 19.898 -20.823 1.00114.87 H ATOM 2314 H62 A E 2 -43.329 20.792 -20.995 1.00114.87 H ATOM 2315 H2 A E 2 -43.907 16.447 -23.376 1.00123.61 H TER 2316 A E 2 HETATM 2317 ZN ZN A 501 -26.362 30.705 -18.019 1.00 47.71 ZN HETATM 2318 ZN ZN A 502 -44.842 20.287 -17.304 1.00 35.91 ZN HETATM 2319 ZN ZN A 503 -46.071 33.251 -22.167 1.00 37.86 ZN HETATM 2320 C ACT A 504 -34.353 33.501 -13.710 1.00 72.00 C HETATM 2321 O ACT A 504 -33.640 32.822 -14.486 1.00 67.71 O HETATM 2322 OXT ACT A 504 -34.424 34.727 -13.953 1.00 70.43 O HETATM 2323 CH3 ACT A 504 -35.082 32.883 -12.554 1.00 65.82 C HETATM 2324 H1 ACT A 504 -35.636 33.655 -12.019 1.00 78.98 H HETATM 2325 H2 ACT A 504 -35.777 32.129 -12.924 1.00 78.98 H HETATM 2326 H3 ACT A 504 -34.364 32.417 -11.880 1.00 78.98 H HETATM 2327 C ACT A 505 -38.048 30.176 -12.561 1.00 53.42 C HETATM 2328 O ACT A 505 -37.401 30.422 -13.599 1.00 71.65 O HETATM 2329 OXT ACT A 505 -38.936 31.004 -12.280 1.00 53.62 O HETATM 2330 CH3 ACT A 505 -37.779 28.964 -11.716 1.00 57.88 C HETATM 2331 H1 ACT A 505 -38.465 28.953 -10.868 1.00 69.45 H HETATM 2332 H2 ACT A 505 -36.752 28.996 -11.352 1.00 69.45 H HETATM 2333 H3 ACT A 505 -37.926 28.065 -12.313 1.00 69.45 H HETATM 2334 ZN ZN B 501 -20.940 37.133 -3.843 1.00 56.45 ZN HETATM 2335 ZN ZN B 502 -38.950 46.676 1.716 1.00 65.24 ZN HETATM 2336 ZN ZN B 503 -30.289 55.024 -5.527 1.00109.37 ZN HETATM 2337 MG MG C 101 -32.242 43.753 -21.890 1.00 94.58 MG HETATM 2338 MG MG C 102 -34.835 41.162 -25.610 1.00 88.95 MG HETATM 2339 MG MG C 103 -24.946 46.003 -24.943 1.00 86.13 MG HETATM 2340 MG MG D 101 -34.812 38.445 -30.081 1.00 90.68 MG HETATM 2341 O HOH A 601 -46.410 26.911 -23.061 1.00 41.62 O HETATM 2342 O HOH A 602 -44.520 26.788 -11.877 1.00 34.81 O HETATM 2343 O HOH A 603 -42.206 26.045 -17.260 1.00 36.05 O HETATM 2344 O HOH A 604 -47.883 24.001 -12.773 1.00 37.66 O HETATM 2345 O HOH A 605 -51.723 30.722 -26.929 1.00 47.67 O HETATM 2346 O HOH A 606 -51.588 21.239 -18.270 1.00 45.66 O HETATM 2347 O HOH A 607 -49.416 31.013 -25.282 1.00 45.08 O HETATM 2348 O HOH A 608 -25.362 24.307 -14.067 1.00 60.52 O HETATM 2349 O HOH A 609 -31.559 20.956 -11.238 1.00 48.30 O HETATM 2350 O HOH A 610 -47.916 42.260 -23.868 1.00 56.13 O HETATM 2351 O HOH A 611 -19.803 32.395 -16.393 1.00 50.23 O HETATM 2352 O HOH A 612 -46.771 17.046 -21.599 1.00 59.63 O HETATM 2353 O HOH A 613 -55.249 31.297 -20.422 1.00 63.80 O HETATM 2354 O HOH A 614 -40.790 21.825 -11.490 1.00 51.62 O HETATM 2355 O HOH A 615 -33.875 20.207 -12.861 1.00 56.79 O HETATM 2356 O HOH B 601 -30.744 34.531 3.648 1.00 43.70 O HETATM 2357 O HOH B 602 -25.468 39.033 -6.956 1.00 57.67 O HETATM 2358 O HOH B 603 -40.448 47.369 0.553 1.00 63.61 O HETATM 2359 O HOH C 201 -23.053 37.185 -18.714 1.00 49.78 O HETATM 2360 O HOH C 202 -23.507 33.902 -18.772 1.00 47.61 O HETATM 2361 O HOH D 201 -32.777 38.736 -23.566 1.00 64.15 O HETATM 2362 O HOH D 202 -42.135 33.635 -24.284 1.00 59.20 O HETATM 2363 O HOH D 203 -35.205 36.317 -29.434 1.00 69.46 O HETATM 2364 O HOH E 101 -44.908 16.648 -20.119 1.00 47.59 O HETATM 2365 O HOH E 102 -43.912 14.751 -21.240 1.00 66.42 O CONECT 49 2317 CONECT 154 2317 CONECT 221 2317 CONECT 289 2317 CONECT 375 2318 CONECT 452 2318 CONECT 521 2318 CONECT 591 2318 CONECT 673 2319 CONECT 763 2319 CONECT 836 2319 CONECT 903 2319 CONECT 1045 2334 CONECT 1150 2334 CONECT 1217 2334 CONECT 1285 2334 CONECT 1371 2335 CONECT 1448 2335 CONECT 1517 2335 CONECT 1587 2335 CONECT 1669 2336 CONECT 1759 2336 CONECT 1832 2336 CONECT 1899 2336 CONECT 2018 2339 CONECT 2051 2337 CONECT 2052 2338 CONECT 2085 2337 CONECT 2184 2340 CONECT 2185 2338 CONECT 2218 2340 CONECT 2317 49 154 221 289 CONECT 2318 375 452 521 591 CONECT 2319 673 763 836 903 CONECT 2320 2321 2322 2323 CONECT 2321 2320 CONECT 2322 2320 CONECT 2323 2320 2324 2325 2326 CONECT 2324 2323 CONECT 2325 2323 CONECT 2326 2323 CONECT 2327 2328 2329 2330 CONECT 2328 2327 CONECT 2329 2327 CONECT 2330 2327 2331 2332 2333 CONECT 2331 2330 CONECT 2332 2330 CONECT 2333 2330 CONECT 2334 1045 1150 1217 1285 CONECT 2335 1371 1448 1517 1587 CONECT 2335 2358 CONECT 2336 1669 1759 1832 1899 CONECT 2337 2051 2085 CONECT 2338 2052 2185 CONECT 2339 2018 CONECT 2340 2184 2218 2363 CONECT 2358 2335 CONECT 2363 2340 MASTER 454 0 12 0 0 0 13 6 1284 5 58 15 END
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Related entries of code: 4lj0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4lj0
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
C. thermophilium Nab2 Zn fingers (3-5)
Ligand Name
polyadenosine poly(A) RNA
EC.Number
E.C.-.-.-.-
Resolution
2.15(Å)
Affinity (Kd/Ki/IC50)
Kd=0.5uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Nucleic Acids Res. Vol. 42: pp. 672-680
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
G0SCL7
Entrez Gene ID
NCBI Entrez Gene ID:
18259806
ASD
Information of known allosteric effects of PDB entries
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