Browse entries in the PDBbind-CN Database
HEADER DE NOVO PROTEIN, HYDROLASE 09-DEC-11 3V1C TITLE CRYSTAL STRUCTURE OF DE NOVO DESIGNED MID1-ZINC COMPND MOL_ID: 1; COMPND 2 MOLECULE: COMPUTATIONAL DESIGN, MID1-ZINC; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: COMPUTATIONAL REDESIGN OF THE BIOLOGICAL SEQUENCE.; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; SOURCE 3 ORGANISM_TAXID: 32630; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PQE-80L MBP FUSION KEYWDS HELIX-TURN-HELIX, METAL BINDING, HOMODIMER, METAL BINDING PROTEIN, KEYWDS 2 HYDROLASE, DE NOVO PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR B.S.DER,M.MACHIUS,M.J.MILEY,B.KUHLMAN REVDAT 2 07-MAR-12 3V1C 1 JRNL REVDAT 1 11-JAN-12 3V1C 0 JRNL AUTH B.S.DER,M.MACHIUS,M.J.MILEY,J.L.MILLS,T.SZYPERSKI,B.KUHLMAN JRNL TITL METAL-MEDIATED AFFINITY AND ORIENTATION SPECIFICITY IN A JRNL TITL 2 COMPUTATIONALLY DESIGNED PROTEIN HOMODIMER. JRNL REF J.AM.CHEM.SOC. V. 134 375 2012 JRNL REFN ISSN 0002-7863 JRNL PMID 22092237 JRNL DOI 10.1021/JA208015J REMARK 2 REMARK 2 RESOLUTION. 1.13 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.7.3_927) 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) : 1.13 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.29 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 3 NUMBER OF REFLECTIONS : 30257 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.148 REMARK 3 R VALUE (WORKING SET) : 0.147 REMARK 3 FREE R VALUE : 0.176 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.030 REMARK 3 FREE R VALUE TEST SET COUNT : 1523 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 19.2948 - 2.5088 0.94 2673 157 0.1692 0.1908 REMARK 3 2 2.5088 - 1.9920 0.97 2648 137 0.1388 0.1708 REMARK 3 3 1.9920 - 1.7403 0.98 2635 150 0.1331 0.1661 REMARK 3 4 1.7403 - 1.5813 0.99 2612 133 0.1242 0.1685 REMARK 3 5 1.5813 - 1.4680 0.99 2659 140 0.1227 0.1633 REMARK 3 6 1.4680 - 1.3815 1.00 2650 140 0.1244 0.1527 REMARK 3 7 1.3815 - 1.3123 1.00 2621 131 0.1238 0.1575 REMARK 3 8 1.3123 - 1.2552 1.00 2612 159 0.1295 0.1618 REMARK 3 9 1.2552 - 1.2069 1.00 2606 137 0.1454 0.1726 REMARK 3 10 1.2069 - 1.1652 0.99 2630 128 0.1774 0.2033 REMARK 3 11 1.1652 - 1.1288 0.91 2388 111 0.2077 0.2291 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 0.90 REMARK 3 SHRINKAGE RADIUS : 0.60 REMARK 3 K_SOL : 0.41 REMARK 3 B_SOL : 43.90 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.100 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 13.960 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 9.02 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.26800 REMARK 3 B22 (A**2) : 0.70550 REMARK 3 B33 (A**2) : 0.56240 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : -0.00000 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 : 0.013 897 REMARK 3 ANGLE : 1.241 1228 REMARK 3 CHIRALITY : 0.072 126 REMARK 3 PLANARITY : 0.006 172 REMARK 3 DIHEDRAL : 14.840 360 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3V1C COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-DEC-11. REMARK 100 THE RCSB ID CODE IS RCSB069470. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 26-APR-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 23-ID-B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9180 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30296 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.129 REMARK 200 RESOLUTION RANGE LOW (A) : 19.292 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 200 DATA REDUNDANCY : 7.300 REMARK 200 R MERGE (I) : 0.08900 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 31.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.13 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.14 REMARK 200 COMPLETENESS FOR SHELL (%) : 88.8 REMARK 200 DATA REDUNDANCY IN SHELL : 2.50 REMARK 200 R MERGE FOR SHELL (I) : 0.49000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: PHASER REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 1YZM REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 31.95 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.81 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1-2 MICROLITER2 PROTEIN (20 MG/ML, 100 REMARK 280 MM AMMONIUM ACETATE BUFFER) MIXED WITH 1 MICROLITER REMARK 280 CRYSTALLIZATION BUFFER (0.1 M SODIUM CITRATE, PH 5.5, 1.25 M REMARK 280 AMMONIUM SULFATE, 0.08 M K/NA TARTRATE), VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 12.65600 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 52.70600 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 14.90000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 52.70600 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 12.65600 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 14.90000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: IN THE CRYSTAL STRUCTURE, THE BIOLOGICAL ASSEMBLY (DIMER) REMARK 300 IS LOCATED WITHIN THE ASYMMETRIC UNIT. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1870 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6560 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -76.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A -1 REMARK 465 SER A 0 REMARK 465 GLY B -1 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 SD MET A 38 O HOH A 253 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 101 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 TLA A 102 O41 REMARK 620 2 HIS B 39 ND1 118.6 REMARK 620 3 HIS A 16 NE2 115.9 107.8 REMARK 620 4 HIS A 12 NE2 96.7 115.7 100.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 101 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 16 NE2 REMARK 620 2 HIS B 12 NE2 103.0 REMARK 620 3 HIS A 39 ND1 108.1 106.5 REMARK 620 N 1 2 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 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TLA A 102 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 101 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YZM RELATED DB: PDB REMARK 900 THIS DEPOSITION IS A COMPUTATIONAL REDESIGN OF 1YZM. REMARK 900 RELATED ID: 3V1A RELATED DB: PDB REMARK 900 RELATED ID: 3V1B RELATED DB: PDB REMARK 900 RELATED ID: 3V1D RELATED DB: PDB REMARK 900 RELATED ID: 3V1E RELATED DB: PDB REMARK 900 RELATED ID: 3V1F RELATED DB: PDB DBREF 3V1C A -1 46 PDB 3V1C 3V1C -1 46 DBREF 3V1C B -1 46 PDB 3V1C 3V1C -1 46 SEQRES 1 A 48 GLY SER GLY SER PRO LEU ALA GLN GLN ILE LYS ASN ILE SEQRES 2 A 48 HIS SER PHE ILE HIS GLN ALA LYS ALA ALA GLY ARG MET SEQRES 3 A 48 ASP GLU VAL ARG THR LEU GLN GLU ASN LEU HIS GLN LEU SEQRES 4 A 48 MET HIS GLU TYR PHE GLN GLN SER ASP SEQRES 1 B 48 GLY SER GLY SER PRO LEU ALA GLN GLN ILE LYS ASN ILE SEQRES 2 B 48 HIS SER PHE ILE HIS GLN ALA LYS ALA ALA GLY ARG MET SEQRES 3 B 48 ASP GLU VAL ARG THR LEU GLN GLU ASN LEU HIS GLN LEU SEQRES 4 B 48 MET HIS GLU TYR PHE GLN GLN SER ASP HET ZN A 101 1 HET TLA A 102 14 HET UNL A 103 13 HET ZN B 101 1 HETNAM ZN ZINC ION HETNAM TLA L(+)-TARTARIC ACID HETNAM UNL UNKNOWN LIGAND FORMUL 3 ZN 2(ZN 2+) FORMUL 4 TLA C4 H6 O6 FORMUL 7 HOH *100(H2 O) HELIX 1 1 SER A 2 ALA A 21 1 20 HELIX 2 2 ARG A 23 GLN A 43 1 21 HELIX 3 3 SER B 2 ALA B 20 1 19 HELIX 4 4 ARG B 23 PHE B 42 1 20 LINK ZN ZN A 101 O41 TLA A 102 1555 1555 1.95 LINK ND1 HIS B 39 ZN ZN A 101 1555 1555 2.00 LINK NE2 HIS A 16 ZN ZN A 101 1555 1555 2.01 LINK NE2 HIS B 16 ZN ZN B 101 1555 1555 2.01 LINK NE2 HIS B 12 ZN ZN B 101 1555 1555 2.02 LINK NE2 HIS A 12 ZN ZN A 101 1555 1555 2.03 LINK ND1 HIS A 39 ZN ZN B 101 1555 1555 2.04 SITE 1 AC1 4 HIS A 12 HIS A 16 TLA A 102 HIS B 39 SITE 1 AC2 11 HIS A 12 HIS A 16 LYS A 19 ARG A 23 SITE 2 AC2 11 GLN A 31 HIS A 35 ZN A 101 HOH A 228 SITE 3 AC2 11 HOH A 237 HIS B 35 HIS B 39 SITE 1 AC3 4 HIS A 39 HIS B 12 HIS B 16 ASP B 46 CRYST1 25.312 29.800 105.412 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.039507 0.000000 0.000000 0.00000 SCALE2 0.000000 0.033557 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009487 0.00000 ATOM 1 N GLY A 1 -13.656 13.678 -19.312 1.00 24.55 N ANISOU 1 N GLY A 1 3842 3218 2267 43 -622 289 N ATOM 2 CA GLY A 1 -14.822 14.246 -18.566 1.00 23.12 C ANISOU 2 CA GLY A 1 3774 2857 2154 2 -629 258 C ATOM 3 C GLY A 1 -16.059 13.380 -18.691 1.00 20.62 C ANISOU 3 C GLY A 1 3443 2390 2000 31 -799 288 C ATOM 4 O GLY A 1 -17.136 13.746 -18.206 1.00 20.62 O ANISOU 4 O GLY A 1 3387 2443 2006 -135 -920 220 O ATOM 5 HA2 GLY A 1 -14.596 14.327 -17.626 1.00 27.74 H ATOM 6 HA3 GLY A 1 -15.028 15.129 -18.911 1.00 27.74 H ATOM 7 N SER A 2 -15.903 12.227 -19.340 1.00 20.39 N ANISOU 7 N SER A 2 3558 2346 1842 39 -914 318 N ATOM 8 CA SER A 2 -16.987 11.273 -19.480 1.00 19.60 C ANISOU 8 CA SER A 2 3578 2126 1743 176 -930 259 C ATOM 9 C SER A 2 -17.310 10.728 -18.103 1.00 15.77 C ANISOU 9 C SER A 2 2836 1532 1624 383 -900 115 C ATOM 10 O SER A 2 -16.455 10.695 -17.230 1.00 15.59 O ANISOU 10 O SER A 2 2539 1756 1629 263 -998 162 O ATOM 11 CB SER A 2 -16.575 10.121 -20.393 1.00 21.44 C ANISOU 11 CB SER A 2 4047 2324 1775 56 -806 231 C ATOM 12 OG SER A 2 -15.886 9.125 -19.653 1.00 23.00 O ANISOU 12 OG SER A 2 4434 2439 1865 121 -536 216 O ATOM 13 H SER A 2 -15.168 11.976 -19.710 1.00 24.46 H ATOM 14 HA SER A 2 -17.781 11.712 -19.850 1.00 23.52 H ATOM 15 HB2 SER A 2 -17.370 9.730 -20.788 1.00 25.73 H ATOM 16 HB3 SER A 2 -15.990 10.461 -21.088 1.00 25.73 H ATOM 17 HG SER A 2 -15.667 8.509 -20.148 1.00 27.59 H ATOM 18 N PRO A 3 -18.549 10.287 -17.898 1.00 13.73 N ANISOU 18 N PRO A 3 2329 1363 1526 483 -785 -214 N ATOM 19 CA PRO A 3 -18.919 9.864 -16.549 1.00 13.44 C ANISOU 19 CA PRO A 3 2093 1588 1425 544 -364 -317 C ATOM 20 C PRO A 3 -18.080 8.701 -16.003 1.00 10.34 C ANISOU 20 C PRO A 3 1584 1206 1139 513 -267 -365 C ATOM 21 O PRO A 3 -17.702 8.745 -14.829 1.00 10.93 O ANISOU 21 O PRO A 3 1531 1559 1062 494 -251 -343 O ATOM 22 CB PRO A 3 -20.394 9.473 -16.687 1.00 14.61 C ANISOU 22 CB PRO A 3 2103 1913 1535 754 -385 -282 C ATOM 23 CG PRO A 3 -20.655 9.401 -18.164 1.00 15.04 C ANISOU 23 CG PRO A 3 2220 1916 1580 471 -438 -100 C ATOM 24 CD PRO A 3 -19.704 10.337 -18.805 1.00 14.73 C ANISOU 24 CD PRO A 3 2407 1618 1572 537 -703 -171 C ATOM 25 HA PRO A 3 -18.849 10.621 -15.932 1.00 16.13 H ATOM 26 HB2 PRO A 3 -20.542 8.609 -16.271 1.00 17.53 H ATOM 27 HB3 PRO A 3 -20.950 10.151 -16.273 1.00 17.53 H ATOM 28 HG2 PRO A 3 -20.502 8.496 -18.476 1.00 18.05 H ATOM 29 HG3 PRO A 3 -21.569 9.671 -18.343 1.00 18.05 H ATOM 30 HD2 PRO A 3 -19.458 10.021 -19.689 1.00 17.68 H ATOM 31 HD3 PRO A 3 -20.075 11.233 -18.835 1.00 17.68 H ATOM 32 N LEU A 4 -17.775 7.685 -16.804 1.00 10.28 N ANISOU 32 N LEU A 4 1604 1289 1011 458 -126 -216 N ATOM 33 CA LEU A 4 -17.012 6.569 -16.265 1.00 8.59 C ANISOU 33 CA LEU A 4 1192 1174 896 278 1 -113 C ATOM 34 C LEU A 4 -15.536 6.934 -16.081 1.00 8.72 C ANISOU 34 C LEU A 4 1278 1239 796 240 95 15 C ATOM 35 O LEU A 4 -14.863 6.378 -15.215 1.00 8.50 O ANISOU 35 O LEU A 4 1225 1202 803 183 -112 124 O ATOM 36 CB LEU A 4 -17.232 5.305 -17.108 1.00 9.10 C ANISOU 36 CB LEU A 4 1295 1196 965 246 -79 -73 C ATOM 37 CG LEU A 4 -18.697 4.824 -17.089 1.00 9.29 C ANISOU 37 CG LEU A 4 1182 1208 1141 211 -72 -126 C ATOM 38 CD1 LEU A 4 -18.876 3.641 -18.035 1.00 11.81 C ANISOU 38 CD1 LEU A 4 1865 1363 1261 25 -158 -96 C ATOM 39 CD2 LEU A 4 -19.188 4.468 -15.684 1.00 12.52 C ANISOU 39 CD2 LEU A 4 1612 1891 1253 -65 -65 -70 C ATOM 40 H LEU A 4 -17.990 7.618 -17.634 1.00 12.33 H ATOM 41 HA LEU A 4 -17.365 6.374 -15.371 1.00 10.30 H ATOM 42 HB2 LEU A 4 -16.989 5.493 -18.028 1.00 10.91 H ATOM 43 HB3 LEU A 4 -16.677 4.591 -16.757 1.00 10.91 H ATOM 44 HG LEU A 4 -19.258 5.544 -17.417 1.00 11.15 H ATOM 45 HD11 LEU A 4 -19.792 3.357 -18.010 1.00 14.18 H ATOM 46 HD12 LEU A 4 -18.642 3.916 -18.925 1.00 14.18 H ATOM 47 HD13 LEU A 4 -18.302 2.926 -17.752 1.00 14.18 H ATOM 48 HD21 LEU A 4 -20.101 4.177 -15.736 1.00 15.02 H ATOM 49 HD22 LEU A 4 -18.640 3.764 -15.330 1.00 15.02 H ATOM 50 HD23 LEU A 4 -19.124 5.246 -15.124 1.00 15.02 H ATOM 51 N ALA A 5 -15.032 7.881 -16.868 1.00 9.44 N ANISOU 51 N ALA A 5 1592 1178 818 168 -16 94 N ATOM 52 CA ALA A 5 -13.676 8.381 -16.655 1.00 10.56 C ANISOU 52 CA ALA A 5 1831 1329 851 -39 84 244 C ATOM 53 C ALA A 5 -13.599 9.227 -15.378 1.00 9.44 C ANISOU 53 C ALA A 5 1528 1162 896 138 37 406 C ATOM 54 O ALA A 5 -12.670 9.095 -14.571 1.00 10.54 O ANISOU 54 O ALA A 5 1351 1634 1020 127 -23 298 O ATOM 55 CB ALA A 5 -13.206 9.194 -17.865 1.00 14.19 C ANISOU 55 CB ALA A 5 2718 1805 867 -176 383 278 C ATOM 56 H ALA A 5 -15.449 8.247 -17.525 1.00 11.33 H ATOM 57 HA ALA A 5 -13.069 7.619 -16.549 1.00 12.67 H ATOM 58 HB1 ALA A 5 -12.314 9.511 -17.700 1.00 17.02 H ATOM 59 HB2 ALA A 5 -13.215 8.631 -18.642 1.00 17.02 H ATOM 60 HB3 ALA A 5 -13.800 9.938 -17.991 1.00 17.02 H ATOM 61 N GLN A 6 -14.582 10.098 -15.200 1.00 9.36 N ANISOU 61 N GLN A 6 1528 1096 931 -1 -338 250 N ATOM 62 CA AGLN A 6 -14.648 10.942 -14.016 0.37 9.70 C ANISOU 62 CA AGLN A 6 1680 1006 999 132 -304 140 C ATOM 63 CA BGLN A 6 -14.637 10.939 -14.024 0.63 9.38 C ANISOU 63 CA BGLN A 6 1721 844 998 49 -411 96 C ATOM 64 C GLN A 6 -14.740 10.099 -12.755 1.00 8.42 C ANISOU 64 C GLN A 6 1394 874 933 178 -397 -16 C ATOM 65 O GLN A 6 -14.156 10.433 -11.726 1.00 9.62 O ANISOU 65 O GLN A 6 1576 1155 923 22 -532 23 O ATOM 66 CB AGLN A 6 -15.853 11.873 -14.104 0.37 12.13 C ANISOU 66 CB AGLN A 6 2246 1268 1096 263 -231 169 C ATOM 67 CB BGLN A 6 -15.833 11.875 -14.128 0.63 12.00 C ANISOU 67 CB BGLN A 6 2452 1043 1066 132 -607 36 C ATOM 68 CG AGLN A 6 -15.634 13.060 -15.020 0.37 14.37 C ANISOU 68 CG AGLN A 6 2729 1555 1175 300 -51 224 C ATOM 69 CG BGLN A 6 -15.785 12.992 -13.116 0.63 14.74 C ANISOU 69 CG BGLN A 6 3164 1326 1112 87 -644 32 C ATOM 70 CD AGLN A 6 -14.575 14.008 -14.497 0.37 16.39 C ANISOU 70 CD AGLN A 6 3137 1852 1240 68 112 324 C ATOM 71 CD BGLN A 6 -14.501 13.802 -13.202 0.63 17.21 C ANISOU 71 CD BGLN A 6 3647 1711 1181 19 -609 106 C ATOM 72 OE1AGLN A 6 -13.597 14.304 -15.179 0.37 17.46 O ANISOU 72 OE1AGLN A 6 3311 2057 1266 307 164 315 O ATOM 73 OE1BGLN A 6 -14.158 14.340 -14.255 0.63 19.96 O ANISOU 73 OE1BGLN A 6 4173 2159 1251 -377 -671 143 O ATOM 74 NE2AGLN A 6 -14.770 14.496 -13.280 0.37 16.30 N ANISOU 74 NE2AGLN A 6 3045 1884 1262 -124 303 347 N ATOM 75 NE2BGLN A 6 -13.785 13.893 -12.088 0.63 18.39 N ANISOU 75 NE2BGLN A 6 3756 1993 1240 -230 -572 82 N ATOM 76 H AGLN A 6 -15.228 10.221 -15.754 0.37 10.86 H ATOM 77 H BGLN A 6 -15.232 10.220 -15.751 0.63 10.60 H ATOM 78 HA AGLN A 6 -13.837 11.490 -13.963 0.37 11.64 H ATOM 79 HA BGLN A 6 -13.823 11.481 -13.973 0.63 11.25 H ATOM 80 HB2AGLN A 6 -16.612 11.373 -14.443 0.37 14.56 H ATOM 81 HB2BGLN A 6 -15.848 12.272 -15.013 0.63 14.40 H ATOM 82 HB3AGLN A 6 -16.052 12.214 -13.218 0.37 14.56 H ATOM 83 HB3BGLN A 6 -16.646 11.368 -13.977 0.63 14.40 H ATOM 84 HG2AGLN A 6 -15.348 12.740 -15.890 0.37 17.24 H ATOM 85 HG2BGLN A 6 -16.531 13.592 -13.272 0.63 17.69 H ATOM 86 HG3AGLN A 6 -16.465 13.553 -15.104 0.37 17.24 H ATOM 87 HG3BGLN A 6 -15.843 12.614 -12.225 0.63 17.69 H ATOM 88 HE21AGLN A 6 -15.469 14.271 -12.832 0.37 19.55 H ATOM 89 HE21BGLN A 6 -14.056 13.504 -11.371 0.63 22.07 H ATOM 90 HE22AGLN A 6 -14.197 15.039 -12.938 0.37 19.55 H ATOM 91 HE22BGLN A 6 -13.050 14.340 -12.084 0.63 22.07 H ATOM 92 N GLN A 7 -15.472 8.998 -12.835 1.00 7.47 N ANISOU 92 N GLN A 7 1135 911 791 186 -318 43 N ATOM 93 CA GLN A 7 -15.606 8.110 -11.701 1.00 7.45 C ANISOU 93 CA GLN A 7 1064 1042 725 41 -116 -58 C ATOM 94 C GLN A 7 -14.250 7.605 -11.238 1.00 6.78 C ANISOU 94 C GLN A 7 1136 829 610 -50 28 -39 C ATOM 95 O GLN A 7 -13.938 7.659 -10.042 1.00 6.98 O ANISOU 95 O GLN A 7 1069 1014 570 -39 -24 -69 O ATOM 96 CB GLN A 7 -16.475 6.929 -12.082 1.00 7.77 C ANISOU 96 CB GLN A 7 1133 1093 726 167 18 -173 C ATOM 97 CG GLN A 7 -16.562 5.911 -10.983 1.00 8.93 C ANISOU 97 CG GLN A 7 1232 1424 735 -64 -29 -65 C ATOM 98 CD GLN A 7 -17.499 4.777 -11.299 1.00 8.02 C ANISOU 98 CD GLN A 7 1126 1159 764 111 -73 -92 C ATOM 99 OE1 GLN A 7 -17.455 4.185 -12.390 1.00 9.12 O ANISOU 99 OE1 GLN A 7 1320 1272 872 29 266 -221 O ATOM 100 NE2 GLN A 7 -18.376 4.475 -10.357 1.00 8.46 N ANISOU 100 NE2 GLN A 7 1312 1169 733 -47 -38 11 N ATOM 101 H GLN A 7 -15.900 8.745 -13.536 1.00 8.96 H ATOM 102 HA GLN A 7 -16.033 8.586 -10.959 1.00 8.94 H ATOM 103 HB2 GLN A 7 -17.372 7.243 -12.274 1.00 9.32 H ATOM 104 HB3 GLN A 7 -16.098 6.496 -12.865 1.00 9.32 H ATOM 105 HG2 GLN A 7 -15.681 5.536 -10.830 1.00 10.71 H ATOM 106 HG3 GLN A 7 -16.881 6.345 -10.176 1.00 10.71 H ATOM 107 HE21 GLN A 7 -18.385 4.919 -9.620 1.00 10.15 H ATOM 108 HE22 GLN A 7 -18.937 3.836 -10.481 1.00 10.15 H ATOM 109 N ILE A 8 -13.441 7.110 -12.167 1.00 6.97 N ANISOU 109 N ILE A 8 928 1179 541 172 -79 -56 N ATOM 110 CA AILE A 8 -12.149 6.580 -11.754 0.39 7.31 C ANISOU 110 CA AILE A 8 1029 1151 598 66 -100 14 C ATOM 111 CA BILE A 8 -12.105 6.613 -11.855 0.61 8.01 C ANISOU 111 CA BILE A 8 1141 1312 590 101 55 61 C ATOM 112 C ILE A 8 -11.216 7.719 -11.301 1.00 7.63 C ANISOU 112 C ILE A 8 1046 1216 636 -38 -29 129 C ATOM 113 O ILE A 8 -10.466 7.536 -10.340 1.00 8.45 O ANISOU 113 O ILE A 8 1152 1403 657 -32 -38 197 O ATOM 114 CB AILE A 8 -11.513 5.573 -12.777 0.39 7.00 C ANISOU 114 CB AILE A 8 884 1149 626 29 -214 -72 C ATOM 115 CB BILE A 8 -11.483 6.015 -13.107 0.61 9.58 C ANISOU 115 CB BILE A 8 1393 1572 674 515 7 19 C ATOM 116 CG1AILE A 8 -11.516 6.115 -14.207 0.39 6.59 C ANISOU 116 CG1AILE A 8 772 1125 605 19 -238 -47 C ATOM 117 CG1BILE A 8 -12.235 4.728 -13.434 0.61 9.86 C ANISOU 117 CG1BILE A 8 1674 1374 697 300 132 72 C ATOM 118 CG2AILE A 8 -12.248 4.238 -12.709 0.39 6.96 C ANISOU 118 CG2AILE A 8 859 1120 664 233 -261 -105 C ATOM 119 CG2BILE A 8 -9.994 5.786 -12.900 0.61 10.62 C ANISOU 119 CG2BILE A 8 1475 1744 815 320 151 -130 C ATOM 120 CD1AILE A 8 -10.754 5.231 -15.189 0.39 8.67 C ANISOU 120 CD1AILE A 8 1217 1402 675 59 -185 -88 C ATOM 121 CD1BILE A 8 -11.912 4.152 -14.790 0.61 9.87 C ANISOU 121 CD1BILE A 8 1734 1254 762 332 227 -45 C ATOM 122 H AILE A 8 -13.606 7.071 -13.010 0.39 7.97 H ATOM 123 H BILE A 8 -13.645 7.051 -13.000 0.61 7.75 H ATOM 124 HA AILE A 8 -12.317 6.050 -10.947 0.39 8.77 H ATOM 125 HA BILE A 8 -12.174 5.907 -11.179 0.61 9.61 H ATOM 126 HB AILE A 8 -10.592 5.422 -12.515 0.39 8.40 H ATOM 127 HB BILE A 8 -11.602 6.638 -13.840 0.61 11.50 H ATOM 128 HG12AILE A 8 -12.433 6.182 -14.516 0.39 7.90 H ATOM 129 HG12BILE A 8 -12.011 4.059 -12.768 0.61 11.83 H ATOM 130 HG13AILE A 8 -11.101 6.992 -14.212 0.39 7.90 H ATOM 131 HG13BILE A 8 -13.188 4.909 -13.409 0.61 11.83 H ATOM 132 HG21AILE A 8 -11.851 3.631 -13.338 0.39 8.35 H ATOM 133 HG21BILE A 8 -9.623 5.409 -13.701 0.61 12.74 H ATOM 134 HG22AILE A 8 -12.172 3.884 -11.819 0.39 8.35 H ATOM 135 HG22BILE A 8 -9.573 6.627 -12.708 0.61 12.74 H ATOM 136 HG23AILE A 8 -13.172 4.379 -12.928 0.39 8.35 H ATOM 137 HG23BILE A 8 -9.870 5.182 -12.165 0.61 12.74 H ATOM 138 HD11AILE A 8 -10.795 5.627 -16.063 0.39 10.40 H ATOM 139 HD11BILE A 8 -12.423 3.349 -14.918 0.61 11.84 H ATOM 140 HD12AILE A 8 -9.840 5.162 -14.903 0.39 10.40 H ATOM 141 HD12BILE A 8 -12.140 4.796 -15.465 0.61 11.84 H ATOM 142 HD13AILE A 8 -11.158 4.360 -15.205 0.39 10.40 H ATOM 143 HD13BILE A 8 -10.974 3.953 -14.829 0.61 11.84 H ATOM 144 N LYS A 9 -11.304 8.893 -11.914 1.00 7.81 N ANISOU 144 N LYS A 9 1144 1109 714 -42 -93 127 N ATOM 145 CA LYS A 9 -10.545 10.041 -11.425 1.00 9.01 C ANISOU 145 CA LYS A 9 1286 1338 800 -179 -202 330 C ATOM 146 C LYS A 9 -10.897 10.340 -9.960 1.00 8.15 C ANISOU 146 C LYS A 9 1231 1139 727 -96 -234 260 C ATOM 147 O LYS A 9 -10.027 10.604 -9.139 1.00 8.56 O ANISOU 147 O LYS A 9 1290 1173 791 -300 -297 246 O ATOM 148 CB LYS A 9 -10.812 11.267 -12.290 1.00 11.14 C ANISOU 148 CB LYS A 9 1692 1492 1051 -593 -361 482 C ATOM 149 CG LYS A 9 -10.020 12.473 -11.842 1.00 13.84 C ANISOU 149 CG LYS A 9 2415 1518 1325 -444 -408 524 C ATOM 150 CD LYS A 9 -10.155 13.631 -12.806 1.00 16.60 C ANISOU 150 CD LYS A 9 3044 1668 1593 -677 -364 553 C ATOM 151 CE LYS A 9 -9.456 14.870 -12.256 1.00 19.42 C ANISOU 151 CE LYS A 9 3562 2028 1790 -675 -419 469 C ATOM 152 NZ LYS A 9 -9.577 16.045 -13.160 1.00 21.47 N ANISOU 152 NZ LYS A 9 3844 2408 1905 -483 -345 375 N ATOM 153 H LYS A 9 -11.789 9.053 -12.606 1.00 9.37 H ATOM 154 HA LYS A 9 -9.588 9.837 -11.473 1.00 10.82 H ATOM 155 HB2 LYS A 9 -10.565 11.068 -13.207 1.00 13.37 H ATOM 156 HB3 LYS A 9 -11.755 11.491 -12.240 1.00 13.37 H ATOM 157 HG2 LYS A 9 -10.343 12.762 -10.974 1.00 16.61 H ATOM 158 HG3 LYS A 9 -9.081 12.234 -11.786 1.00 16.61 H ATOM 159 HD2 LYS A 9 -9.743 13.396 -13.652 1.00 19.91 H ATOM 160 HD3 LYS A 9 -11.094 13.838 -12.932 1.00 19.91 H ATOM 161 HE2 LYS A 9 -9.854 15.105 -11.403 1.00 23.31 H ATOM 162 HE3 LYS A 9 -8.513 14.676 -12.140 1.00 23.31 H ATOM 163 HZ1 LYS A 9 -9.212 15.859 -13.950 1.00 25.76 H ATOM 164 HZ2 LYS A 9 -10.435 16.250 -13.279 1.00 25.76 H ATOM 165 HZ3 LYS A 9 -9.158 16.746 -12.805 1.00 25.76 H ATOM 166 N ASN A 10 -12.185 10.313 -9.651 1.00 7.62 N ANISOU 166 N ASN A 10 1161 995 741 -162 -187 170 N ATOM 167 CA ASN A 10 -12.624 10.602 -8.298 1.00 7.46 C ANISOU 167 CA ASN A 10 1465 577 793 52 -209 163 C ATOM 168 C ASN A 10 -12.192 9.527 -7.302 1.00 6.72 C ANISOU 168 C ASN A 10 994 908 651 -79 18 50 C ATOM 169 O ASN A 10 -11.803 9.850 -6.179 1.00 6.91 O ANISOU 169 O ASN A 10 1036 996 595 -57 -113 24 O ATOM 170 CB ASN A 10 -14.131 10.785 -8.256 1.00 9.03 C ANISOU 170 CB ASN A 10 1422 919 1089 257 -253 100 C ATOM 171 CG ASN A 10 -14.567 12.086 -8.888 1.00 11.76 C ANISOU 171 CG ASN A 10 1970 1071 1429 -1 -303 151 C ATOM 172 OD1 ASN A 10 -13.764 13.004 -9.075 1.00 14.41 O ANISOU 172 OD1 ASN A 10 2475 1234 1767 104 -579 386 O ATOM 173 ND2 ASN A 10 -15.839 12.182 -9.206 1.00 11.34 N ANISOU 173 ND2 ASN A 10 1693 1191 1426 500 -350 156 N ATOM 174 H ASN A 10 -12.820 10.133 -10.203 1.00 9.15 H ATOM 175 HA ASN A 10 -12.217 11.447 -8.014 1.00 8.95 H ATOM 176 HB2 ASN A 10 -14.553 10.058 -8.741 1.00 10.83 H ATOM 177 HB3 ASN A 10 -14.425 10.785 -7.332 1.00 10.83 H ATOM 178 HD21 ASN A 10 -16.372 11.525 -9.052 1.00 13.61 H ATOM 179 HD22 ASN A 10 -16.138 12.903 -9.568 1.00 13.61 H ATOM 180 N ILE A 11 -12.261 8.254 -7.691 1.00 6.37 N ANISOU 180 N ILE A 11 1067 750 602 -78 -131 -26 N ATOM 181 CA ILE A 11 -11.766 7.198 -6.811 1.00 6.06 C ANISOU 181 CA ILE A 11 938 793 571 24 84 44 C ATOM 182 C ILE A 11 -10.279 7.431 -6.535 1.00 5.89 C ANISOU 182 C ILE A 11 903 738 598 18 -97 31 C ATOM 183 O ILE A 11 -9.817 7.293 -5.407 1.00 6.64 O ANISOU 183 O ILE A 11 982 965 575 -77 -124 -13 O ATOM 184 CB ILE A 11 -11.997 5.780 -7.385 1.00 6.50 C ANISOU 184 CB ILE A 11 940 896 633 -57 -19 70 C ATOM 185 CG1 ILE A 11 -13.499 5.492 -7.505 1.00 7.02 C ANISOU 185 CG1 ILE A 11 1064 1026 577 -9 -4 0 C ATOM 186 CG2 ILE A 11 -11.296 4.745 -6.513 1.00 7.89 C ANISOU 186 CG2 ILE A 11 1323 900 776 30 -96 108 C ATOM 187 CD1 ILE A 11 -13.814 4.249 -8.334 1.00 7.53 C ANISOU 187 CD1 ILE A 11 1152 1139 570 -27 -10 0 C ATOM 188 H ILE A 11 -12.581 7.981 -8.441 1.00 7.64 H ATOM 189 HA ILE A 11 -12.240 7.254 -5.955 1.00 7.27 H ATOM 190 HB ILE A 11 -11.608 5.744 -8.273 1.00 7.80 H ATOM 191 HG12 ILE A 11 -13.865 5.358 -6.617 1.00 8.42 H ATOM 192 HG13 ILE A 11 -13.931 6.250 -7.929 1.00 8.42 H ATOM 193 HG21 ILE A 11 -11.448 3.871 -6.881 1.00 9.47 H ATOM 194 HG22 ILE A 11 -10.355 4.935 -6.498 1.00 9.47 H ATOM 195 HG23 ILE A 11 -11.653 4.792 -5.623 1.00 9.47 H ATOM 196 HD11 ILE A 11 -14.766 4.129 -8.368 1.00 9.03 H ATOM 197 HD12 ILE A 11 -13.468 4.369 -9.221 1.00 9.03 H ATOM 198 HD13 ILE A 11 -13.402 3.486 -7.922 1.00 9.03 H ATOM 199 N HIS A 12 -9.529 7.795 -7.562 1.00 6.16 N ANISOU 199 N HIS A 12 826 912 604 8 -92 0 N ATOM 200 CA HIS A 12 -8.119 8.073 -7.410 1.00 7.35 C ANISOU 200 CA HIS A 12 1074 1080 640 -36 9 62 C ATOM 201 C HIS A 12 -7.898 9.213 -6.408 1.00 6.96 C ANISOU 201 C HIS A 12 967 1058 620 45 0 85 C ATOM 202 O HIS A 12 -7.041 9.114 -5.529 1.00 7.32 O ANISOU 202 O HIS A 12 956 1235 590 -17 -34 1 O ATOM 203 CB HIS A 12 -7.513 8.418 -8.760 1.00 7.92 C ANISOU 203 CB HIS A 12 1190 1180 641 -137 -26 -99 C ATOM 204 CG HIS A 12 -6.082 8.806 -8.661 1.00 7.89 C ANISOU 204 CG HIS A 12 1211 1155 631 -347 -25 -83 C ATOM 205 ND1 HIS A 12 -5.665 10.118 -8.673 1.00 9.12 N ANISOU 205 ND1 HIS A 12 1318 1414 733 -343 73 38 N ATOM 206 CD2 HIS A 12 -4.970 8.057 -8.479 1.00 8.78 C ANISOU 206 CD2 HIS A 12 1095 1559 681 -357 -51 -173 C ATOM 207 CE1 HIS A 12 -4.352 10.159 -8.516 1.00 9.31 C ANISOU 207 CE1 HIS A 12 1301 1455 780 -210 -10 117 C ATOM 208 NE2 HIS A 12 -3.907 8.923 -8.394 1.00 8.42 N ANISOU 208 NE2 HIS A 12 1067 1469 663 -315 69 -12 N ATOM 209 H HIS A 12 -9.820 7.888 -8.366 1.00 7.40 H ATOM 210 HA HIS A 12 -7.668 7.274 -7.068 1.00 8.82 H ATOM 211 HB2 HIS A 12 -7.575 7.644 -9.341 1.00 9.51 H ATOM 212 HB3 HIS A 12 -8.000 9.163 -9.145 1.00 9.51 H ATOM 213 HD1 HIS A 12 -6.178 10.802 -8.763 1.00 10.94 H ATOM 214 HD2 HIS A 12 -4.932 7.129 -8.418 1.00 10.53 H ATOM 215 HE1 HIS A 12 -3.830 10.929 -8.505 1.00 11.17 H ATOM 216 N SER A 13 -8.689 10.277 -6.504 1.00 7.01 N ANISOU 216 N SER A 13 1012 1006 646 -136 -199 58 N ATOM 217 CA ASER A 13 -8.623 11.364 -5.525 0.71 7.95 C ANISOU 217 CA ASER A 13 1113 1174 732 -87 -124 142 C ATOM 218 CA BSER A 13 -8.618 11.359 -5.526 0.29 7.58 C ANISOU 218 CA BSER A 13 1122 1095 663 -37 -154 38 C ATOM 219 C SER A 13 -8.894 10.846 -4.116 1.00 6.62 C ANISOU 219 C SER A 13 936 916 663 -79 -193 -14 C ATOM 220 O SER A 13 -8.199 11.205 -3.172 1.00 7.18 O ANISOU 220 O SER A 13 1109 912 707 -149 -217 -49 O ATOM 221 CB ASER A 13 -9.611 12.479 -5.877 0.71 8.54 C ANISOU 221 CB ASER A 13 1434 968 844 -124 -141 142 C ATOM 222 CB BSER A 13 -9.610 12.467 -5.870 0.29 8.17 C ANISOU 222 CB BSER A 13 1399 1054 652 73 -141 -56 C ATOM 223 OG ASER A 13 -9.259 13.112 -7.100 0.71 10.38 O ANISOU 223 OG ASER A 13 1746 1228 971 -209 -258 303 O ATOM 224 OG BSER A 13 -9.516 13.526 -4.935 0.29 9.47 O ANISOU 224 OG BSER A 13 1710 1234 653 154 -149 -46 O ATOM 225 H ASER A 13 -9.273 10.396 -7.125 0.71 7.70 H ATOM 226 H BSER A 13 -9.274 10.397 -7.124 0.29 8.12 H ATOM 227 HA ASER A 13 -7.720 11.747 -5.536 0.71 9.53 H ATOM 228 HA BSER A 13 -7.717 11.743 -5.539 0.29 9.09 H ATOM 229 HB2ASER A 13 -10.498 12.097 -5.964 0.71 10.25 H ATOM 230 HB2BSER A 13 -9.409 12.808 -6.756 0.29 9.81 H ATOM 231 HB3ASER A 13 -9.605 13.141 -5.167 0.71 10.25 H ATOM 232 HB3BSER A 13 -10.510 12.105 -5.850 0.29 9.81 H ATOM 233 HG ASER A 13 -9.797 13.705 -7.274 0.71 12.46 H ATOM 234 HG BSER A 13 -8.944 13.354 -4.373 0.29 11.36 H ATOM 235 N PHE A 14 -9.909 10.012 -3.968 1.00 6.35 N ANISOU 235 N PHE A 14 910 915 588 -131 -25 9 N ATOM 236 CA PHE A 14 -10.235 9.494 -2.650 1.00 7.07 C ANISOU 236 CA PHE A 14 909 1117 662 -52 -115 32 C ATOM 237 C PHE A 14 -9.145 8.577 -2.106 1.00 6.30 C ANISOU 237 C PHE A 14 803 973 619 -60 -102 90 C ATOM 238 O PHE A 14 -8.933 8.531 -0.904 1.00 7.06 O ANISOU 238 O PHE A 14 919 1174 590 -42 -50 30 O ATOM 239 CB PHE A 14 -11.583 8.785 -2.654 1.00 6.54 C ANISOU 239 CB PHE A 14 777 1025 684 23 -54 -12 C ATOM 240 CG PHE A 14 -12.754 9.721 -2.745 1.00 7.13 C ANISOU 240 CG PHE A 14 898 1044 767 -248 -105 109 C ATOM 241 CD1 PHE A 14 -12.866 10.792 -1.873 1.00 8.00 C ANISOU 241 CD1 PHE A 14 1225 872 943 23 -2 15 C ATOM 242 CD2 PHE A 14 -13.741 9.537 -3.697 1.00 7.68 C ANISOU 242 CD2 PHE A 14 848 1198 871 65 26 160 C ATOM 243 CE1 PHE A 14 -13.939 11.659 -1.949 1.00 9.14 C ANISOU 243 CE1 PHE A 14 1289 1172 1013 141 184 101 C ATOM 244 CE2 PHE A 14 -14.826 10.411 -3.765 1.00 9.66 C ANISOU 244 CE2 PHE A 14 1238 1478 954 -28 -74 330 C ATOM 245 CZ PHE A 14 -14.914 11.466 -2.890 1.00 9.61 C ANISOU 245 CZ PHE A 14 1199 1407 1045 277 112 238 C ATOM 246 H PHE A 14 -10.418 9.732 -4.603 1.00 7.62 H ATOM 247 HA PHE A 14 -10.309 10.252 -2.034 1.00 8.49 H ATOM 248 HB2 PHE A 14 -11.621 8.187 -3.416 1.00 7.85 H ATOM 249 HB3 PHE A 14 -11.672 8.277 -1.832 1.00 7.85 H ATOM 250 HD1 PHE A 14 -12.210 10.931 -1.229 1.00 9.60 H ATOM 251 HD2 PHE A 14 -13.685 8.822 -4.289 1.00 9.21 H ATOM 252 HE1 PHE A 14 -14.002 12.373 -1.356 1.00 10.97 H ATOM 253 HE2 PHE A 14 -15.487 10.283 -4.407 1.00 11.59 H ATOM 254 HZ PHE A 14 -15.635 12.051 -2.938 1.00 11.53 H ATOM 255 N ILE A 15 -8.437 7.859 -2.973 1.00 6.16 N ANISOU 255 N ILE A 15 809 915 614 -6 -150 50 N ATOM 256 CA ILE A 15 -7.300 7.073 -2.512 1.00 6.63 C ANISOU 256 CA ILE A 15 770 1079 669 -49 11 63 C ATOM 257 C ILE A 15 -6.276 7.978 -1.845 1.00 5.92 C ANISOU 257 C ILE A 15 728 934 586 -1 -62 66 C ATOM 258 O ILE A 15 -5.771 7.671 -0.764 1.00 6.63 O ANISOU 258 O ILE A 15 913 1050 557 10 -163 57 O ATOM 259 CB ILE A 15 -6.659 6.278 -3.670 1.00 7.14 C ANISOU 259 CB ILE A 15 942 1023 749 14 -152 104 C ATOM 260 CG1 ILE A 15 -7.564 5.102 -4.047 1.00 7.96 C ANISOU 260 CG1 ILE A 15 1207 981 835 -78 -288 -49 C ATOM 261 CG2 ILE A 15 -5.273 5.794 -3.271 1.00 8.25 C ANISOU 261 CG2 ILE A 15 1007 1321 807 59 13 73 C ATOM 262 CD1 ILE A 15 -7.223 4.437 -5.346 1.00 9.64 C ANISOU 262 CD1 ILE A 15 1610 1145 909 -50 -269 -42 C ATOM 263 H ILE A 15 -8.592 7.810 -3.818 1.00 7.39 H ATOM 264 HA ILE A 15 -7.612 6.428 -1.843 1.00 7.95 H ATOM 265 HB ILE A 15 -6.574 6.864 -4.439 1.00 8.57 H ATOM 266 HG12 ILE A 15 -7.505 4.430 -3.350 1.00 9.55 H ATOM 267 HG13 ILE A 15 -8.477 5.423 -4.113 1.00 9.55 H ATOM 268 HG21 ILE A 15 -4.891 5.303 -4.003 1.00 9.90 H ATOM 269 HG22 ILE A 15 -4.724 6.554 -3.065 1.00 9.90 H ATOM 270 HG23 ILE A 15 -5.350 5.226 -2.501 1.00 9.90 H ATOM 271 HD11 ILE A 15 -7.838 3.716 -5.500 1.00 11.57 H ATOM 272 HD12 ILE A 15 -7.290 5.082 -6.054 1.00 11.57 H ATOM 273 HD13 ILE A 15 -6.326 4.098 -5.297 1.00 11.57 H ATOM 274 N HIS A 16 -5.950 9.095 -2.478 1.00 6.36 N ANISOU 274 N HIS A 16 949 955 512 -33 -120 219 N ATOM 275 CA HIS A 16 -4.950 9.988 -1.907 1.00 7.33 C ANISOU 275 CA HIS A 16 1106 1139 539 -223 -62 33 C ATOM 276 C HIS A 16 -5.433 10.684 -0.647 1.00 6.32 C ANISOU 276 C HIS A 16 1007 916 478 3 12 118 C ATOM 277 O HIS A 16 -4.648 10.899 0.279 1.00 7.66 O ANISOU 277 O HIS A 16 1148 1337 426 -183 -33 78 O ATOM 278 CB HIS A 16 -4.439 10.957 -2.957 1.00 7.74 C ANISOU 278 CB HIS A 16 1185 1190 566 -282 -24 112 C ATOM 279 CG HIS A 16 -3.543 10.275 -3.920 1.00 8.08 C ANISOU 279 CG HIS A 16 961 1490 621 -227 58 -11 C ATOM 280 ND1 HIS A 16 -2.310 9.791 -3.546 1.00 9.26 N ANISOU 280 ND1 HIS A 16 1242 1643 633 -222 84 44 N ATOM 281 CD2 HIS A 16 -3.752 9.842 -5.181 1.00 8.15 C ANISOU 281 CD2 HIS A 16 1102 1331 665 -163 164 16 C ATOM 282 CE1 HIS A 16 -1.769 9.151 -4.567 1.00 9.60 C ANISOU 282 CE1 HIS A 16 1331 1683 632 -341 -142 -136 C ATOM 283 NE2 HIS A 16 -2.617 9.181 -5.576 1.00 9.25 N ANISOU 283 NE2 HIS A 16 1252 1554 709 -215 -57 -24 N ATOM 284 H HIS A 16 -6.285 9.358 -3.225 1.00 7.63 H ATOM 285 HA HIS A 16 -4.184 9.437 -1.641 1.00 8.80 H ATOM 286 HB2 HIS A 16 -5.191 11.325 -3.448 1.00 9.29 H ATOM 287 HB3 HIS A 16 -3.939 11.666 -2.524 1.00 9.29 H ATOM 288 HD1 HIS A 16 -1.942 9.905 -2.778 1.00 11.11 H ATOM 289 HD2 HIS A 16 -4.504 10.006 -5.703 1.00 9.78 H ATOM 290 HE1 HIS A 16 -0.923 8.765 -4.580 1.00 11.52 H ATOM 291 N GLN A 17 -6.723 10.970 -0.560 1.00 7.05 N ANISOU 291 N GLN A 17 1212 846 621 -47 20 19 N ATOM 292 CA GLN A 17 -7.255 11.528 0.672 1.00 7.60 C ANISOU 292 CA GLN A 17 1194 1014 680 45 -86 38 C ATOM 293 C GLN A 17 -7.145 10.503 1.802 1.00 6.61 C ANISOU 293 C GLN A 17 902 1094 514 -4 -126 -38 C ATOM 294 O GLN A 17 -6.823 10.847 2.936 1.00 7.93 O ANISOU 294 O GLN A 17 1409 1098 507 -146 -111 -17 O ATOM 295 CB GLN A 17 -8.711 11.937 0.465 1.00 8.96 C ANISOU 295 CB GLN A 17 1464 1091 850 272 -9 -58 C ATOM 296 CG GLN A 17 -8.917 13.142 -0.439 1.00 11.07 C ANISOU 296 CG GLN A 17 1772 1331 1105 267 9 -176 C ATOM 297 CD GLN A 17 -10.400 13.437 -0.654 1.00 15.24 C ANISOU 297 CD GLN A 17 2276 2097 1419 506 -98 -174 C ATOM 298 OE1 GLN A 17 -11.228 13.160 0.215 1.00 18.33 O ANISOU 298 OE1 GLN A 17 2267 3097 1601 770 -266 -205 O ATOM 299 NE2 GLN A 17 -10.738 13.988 -1.809 1.00 17.55 N ANISOU 299 NE2 GLN A 17 2450 2641 1578 108 -160 11 N ATOM 300 H GLN A 17 -7.301 10.853 -1.186 1.00 8.46 H ATOM 301 HA GLN A 17 -6.740 12.324 0.921 1.00 9.12 H ATOM 302 HB2 GLN A 17 -9.188 11.190 0.071 1.00 10.75 H ATOM 303 HB3 GLN A 17 -9.097 12.150 1.329 1.00 10.75 H ATOM 304 HG2 GLN A 17 -8.509 13.921 -0.030 1.00 13.29 H ATOM 305 HG3 GLN A 17 -8.514 12.966 -1.303 1.00 13.29 H ATOM 306 HE21 GLN A 17 -10.133 14.163 -2.395 1.00 21.06 H ATOM 307 HE22 GLN A 17 -11.562 14.172 -1.974 1.00 21.06 H ATOM 308 N ALA A 18 -7.434 9.245 1.500 1.00 6.49 N ANISOU 308 N ALA A 18 1025 977 463 -61 -137 -39 N ATOM 309 CA ALA A 18 -7.376 8.194 2.502 1.00 6.85 C ANISOU 309 CA ALA A 18 943 1118 541 -91 -111 -59 C ATOM 310 C ALA A 18 -5.934 7.928 2.922 1.00 6.30 C ANISOU 310 C ALA A 18 875 1000 519 -105 -77 -41 C ATOM 311 O ALA A 18 -5.675 7.702 4.099 1.00 6.80 O ANISOU 311 O ALA A 18 1034 1041 508 -81 -135 67 O ATOM 312 CB ALA A 18 -8.044 6.923 1.972 1.00 7.39 C ANISOU 312 CB ALA A 18 945 1209 655 -121 -80 70 C ATOM 313 H ALA A 18 -7.667 8.974 0.718 1.00 7.79 H ATOM 314 HA ALA A 18 -7.871 8.485 3.295 1.00 8.22 H ATOM 315 HB1 ALA A 18 -7.996 6.241 2.647 1.00 8.87 H ATOM 316 HB2 ALA A 18 -8.962 7.116 1.766 1.00 8.87 H ATOM 317 HB3 ALA A 18 -7.584 6.634 1.181 1.00 8.87 H ATOM 318 N LYS A 19 -4.985 7.987 1.992 1.00 6.36 N ANISOU 318 N LYS A 19 940 944 533 12 -45 -35 N ATOM 319 CA LYS A 19 -3.573 7.836 2.364 1.00 6.45 C ANISOU 319 CA LYS A 19 728 1175 548 6 -16 -49 C ATOM 320 C LYS A 19 -3.120 8.966 3.287 1.00 6.87 C ANISOU 320 C LYS A 19 892 1184 533 -208 49 -38 C ATOM 321 O LYS A 19 -2.412 8.734 4.268 1.00 7.34 O ANISOU 321 O LYS A 19 966 1288 534 -85 -75 -8 O ATOM 322 CB LYS A 19 -2.691 7.821 1.120 1.00 7.06 C ANISOU 322 CB LYS A 19 860 1259 565 -72 14 -27 C ATOM 323 CG LYS A 19 -2.781 6.555 0.286 1.00 7.44 C ANISOU 323 CG LYS A 19 853 1378 597 -28 -13 -198 C ATOM 324 CD LYS A 19 -1.886 6.665 -0.940 1.00 9.34 C ANISOU 324 CD LYS A 19 997 1875 677 -78 90 -312 C ATOM 325 CE LYS A 19 -1.747 5.376 -1.676 1.00 10.11 C ANISOU 325 CE LYS A 19 1283 1822 738 233 122 -285 C ATOM 326 NZ LYS A 19 -0.808 5.598 -2.824 1.00 12.42 N ANISOU 326 NZ LYS A 19 1639 2246 836 262 89 -123 N ATOM 327 H LYS A 19 -5.124 8.111 1.152 1.00 7.64 H ATOM 328 HA LYS A 19 -3.452 6.987 2.837 1.00 7.74 H ATOM 329 HB2 LYS A 19 -2.946 8.564 0.552 1.00 8.47 H ATOM 330 HB3 LYS A 19 -1.767 7.924 1.396 1.00 8.47 H ATOM 331 HG2 LYS A 19 -2.487 5.797 0.815 1.00 8.93 H ATOM 332 HG3 LYS A 19 -3.696 6.428 -0.011 1.00 8.93 H ATOM 333 HD2 LYS A 19 -2.265 7.319 -1.549 1.00 11.21 H ATOM 334 HD3 LYS A 19 -1.001 6.947 -0.660 1.00 11.21 H ATOM 335 HE2 LYS A 19 -1.373 4.699 -1.091 1.00 12.14 H ATOM 336 HE3 LYS A 19 -2.609 5.098 -2.024 1.00 12.14 H ATOM 337 HZ1 LYS A 19 -0.706 4.843 -3.284 1.00 14.91 H ATOM 338 HZ2 LYS A 19 -1.134 6.224 -3.366 1.00 14.91 H ATOM 339 HZ3 LYS A 19 -0.014 5.862 -2.521 1.00 14.91 H ATOM 340 N ALA A 20 -3.514 10.191 2.965 1.00 7.26 N ANISOU 340 N ALA A 20 1076 1098 584 -185 -73 23 N ATOM 341 CA ALA A 20 -3.147 11.347 3.784 1.00 9.09 C ANISOU 341 CA ALA A 20 1589 1166 699 -362 -186 15 C ATOM 342 C ALA A 20 -3.739 11.280 5.187 1.00 8.03 C ANISOU 342 C ALA A 20 1296 1051 706 -100 -172 -97 C ATOM 343 O ALA A 20 -3.238 11.923 6.108 1.00 9.79 O ANISOU 343 O ALA A 20 1512 1401 806 -216 -172 -194 O ATOM 344 CB ALA A 20 -3.575 12.631 3.091 1.00 11.44 C ANISOU 344 CB ALA A 20 2272 1231 845 -554 -383 74 C ATOM 345 H ALA A 20 -3.995 10.383 2.278 1.00 8.71 H ATOM 346 HA ALA A 20 -2.172 11.369 3.875 1.00 10.91 H ATOM 347 HB1 ALA A 20 -3.328 13.379 3.639 1.00 13.73 H ATOM 348 HB2 ALA A 20 -3.134 12.688 2.240 1.00 13.73 H ATOM 349 HB3 ALA A 20 -4.527 12.616 2.966 1.00 13.73 H ATOM 350 N ALA A 21 -4.817 10.516 5.336 1.00 7.43 N ANISOU 350 N ALA A 21 1079 1054 689 4 -83 -98 N ATOM 351 CA ALA A 21 -5.425 10.279 6.645 1.00 8.21 C ANISOU 351 CA ALA A 21 1186 1218 713 -41 12 -228 C ATOM 352 C ALA A 21 -5.010 8.934 7.241 1.00 7.51 C ANISOU 352 C ALA A 21 1133 1079 640 12 -91 -184 C ATOM 353 O ALA A 21 -5.540 8.516 8.267 1.00 9.70 O ANISOU 353 O ALA A 21 1455 1575 657 77 63 -71 O ATOM 354 CB ALA A 21 -6.940 10.377 6.567 1.00 9.86 C ANISOU 354 CB ALA A 21 1431 1489 828 206 29 -227 C ATOM 355 H ALA A 21 -5.221 10.120 4.688 1.00 8.91 H ATOM 356 HA ALA A 21 -5.117 10.979 7.259 1.00 9.85 H ATOM 357 HB1 ALA A 21 -7.309 10.217 7.439 1.00 11.84 H ATOM 358 HB2 ALA A 21 -7.181 11.256 6.266 1.00 11.84 H ATOM 359 HB3 ALA A 21 -7.264 9.718 5.949 1.00 11.84 H ATOM 360 N GLY A 22 -4.046 8.262 6.623 1.00 7.73 N ANISOU 360 N GLY A 22 1177 1152 608 -4 3 -81 N ATOM 361 CA GLY A 22 -3.523 7.033 7.193 1.00 8.18 C ANISOU 361 CA GLY A 22 1273 1168 668 -119 14 -66 C ATOM 362 C GLY A 22 -4.560 5.932 7.344 1.00 8.69 C ANISOU 362 C GLY A 22 1413 1209 679 -102 -55 22 C ATOM 363 O GLY A 22 -4.512 5.158 8.303 1.00 10.54 O ANISOU 363 O GLY A 22 1620 1599 785 -305 -71 425 O ATOM 364 H GLY A 22 -3.681 8.496 5.880 1.00 9.27 H ATOM 365 HA2 GLY A 22 -2.809 6.700 6.628 1.00 9.82 H ATOM 366 HA3 GLY A 22 -3.153 7.221 8.069 1.00 9.82 H ATOM 367 N ARG A 23 -5.482 5.838 6.392 1.00 8.43 N ANISOU 367 N ARG A 23 1387 1197 620 -349 -35 -22 N ATOM 368 CA ARG A 23 -6.560 4.860 6.481 1.00 9.81 C ANISOU 368 CA ARG A 23 1732 1255 740 -421 -84 -22 C ATOM 369 C ARG A 23 -6.268 3.704 5.553 1.00 10.01 C ANISOU 369 C ARG A 23 1787 1250 767 -598 -104 2 C ATOM 370 O ARG A 23 -6.738 3.644 4.417 1.00 11.28 O ANISOU 370 O ARG A 23 2334 1254 698 -638 -200 78 O ATOM 371 CB ARG A 23 -7.865 5.517 6.125 1.00 10.19 C ANISOU 371 CB ARG A 23 1547 1494 830 -649 4 -91 C ATOM 372 CG ARG A 23 -8.254 6.540 7.144 1.00 10.10 C ANISOU 372 CG ARG A 23 1314 1666 859 -459 32 -98 C ATOM 373 CD ARG A 23 -9.421 7.309 6.677 1.00 11.02 C ANISOU 373 CD ARG A 23 1556 1738 894 -395 93 60 C ATOM 374 NE ARG A 23 -9.748 8.355 7.624 1.00 11.35 N ANISOU 374 NE ARG A 23 1267 2074 973 -64 139 160 N ATOM 375 CZ ARG A 23 -10.798 9.141 7.506 1.00 13.49 C ANISOU 375 CZ ARG A 23 1317 2711 1097 118 4 103 C ATOM 376 NH1 ARG A 23 -11.643 8.967 6.505 1.00 16.06 N ANISOU 376 NH1 ARG A 23 1668 3233 1202 69 -63 110 N ATOM 377 NH2 ARG A 23 -11.005 10.081 8.400 1.00 14.74 N ANISOU 377 NH2 ARG A 23 1861 2607 1131 559 68 -6 N ATOM 378 H ARG A 23 -5.506 6.327 5.686 1.00 10.12 H ATOM 379 HA ARG A 23 -6.620 4.518 7.397 1.00 11.77 H ATOM 380 HB2 ARG A 23 -7.778 5.960 5.267 1.00 12.22 H ATOM 381 HB3 ARG A 23 -8.563 4.844 6.087 1.00 12.22 H ATOM 382 HG2 ARG A 23 -8.489 6.097 7.974 1.00 12.12 H ATOM 383 HG3 ARG A 23 -7.516 7.154 7.284 1.00 12.12 H ATOM 384 HD2 ARG A 23 -9.217 7.720 5.822 1.00 13.23 H ATOM 385 HD3 ARG A 23 -10.186 6.718 6.595 1.00 13.23 H ATOM 386 HE ARG A 23 -9.167 8.547 8.227 1.00 13.62 H ATOM 387 HH11 ARG A 23 -11.498 8.353 5.920 1.00 19.27 H ATOM 388 HH12 ARG A 23 -12.333 9.477 6.430 1.00 19.27 H ATOM 389 HH21 ARG A 23 -10.455 10.181 9.053 1.00 17.68 H ATOM 390 HH22 ARG A 23 -11.697 10.588 8.338 1.00 17.68 H ATOM 391 N AMET A 24 -5.487 2.760 6.036 0.77 9.60 N ANISOU 391 N AMET A 24 1271 1554 824 -195 -213 -161 N ATOM 392 N BMET A 24 -5.456 2.779 6.055 0.23 10.54 N ANISOU 392 N BMET A 24 1714 1482 808 -278 -91 -45 N ATOM 393 CA AMET A 24 -4.955 1.744 5.166 0.77 10.79 C ANISOU 393 CA AMET A 24 1311 1739 1048 -101 -87 -142 C ATOM 394 CA BMET A 24 -4.916 1.680 5.264 0.23 11.38 C ANISOU 394 CA BMET A 24 1782 1642 898 -65 -35 -27 C ATOM 395 C AMET A 24 -6.010 0.785 4.629 0.77 9.09 C ANISOU 395 C AMET A 24 1306 1242 904 -191 -115 54 C ATOM 396 C BMET A 24 -5.999 0.803 4.647 0.23 9.76 C ANISOU 396 C BMET A 24 1554 1294 859 -56 -69 71 C ATOM 397 O AMET A 24 -5.955 0.394 3.473 0.77 9.64 O ANISOU 397 O AMET A 24 1658 1170 833 -81 -53 -19 O ATOM 398 O BMET A 24 -5.955 0.495 3.457 0.23 9.84 O ANISOU 398 O BMET A 24 1629 1272 838 -12 -54 40 O ATOM 399 CB AMET A 24 -3.867 0.988 5.892 0.77 14.30 C ANISOU 399 CB AMET A 24 1641 2320 1471 280 -69 -268 C ATOM 400 CB BMET A 24 -3.994 0.827 6.141 0.23 14.05 C ANISOU 400 CB BMET A 24 2132 2157 1048 209 -20 -112 C ATOM 401 CG AMET A 24 -3.139 0.060 4.996 0.77 16.39 C ANISOU 401 CG AMET A 24 2064 2275 1889 394 65 -208 C ATOM 402 CG BMET A 24 -3.350 -0.344 5.419 0.23 16.08 C ANISOU 402 CG BMET A 24 2503 2424 1184 381 77 -101 C ATOM 403 SD AMET A 24 -1.591 -0.429 5.727 0.77 18.34 S ANISOU 403 SD AMET A 24 2062 2580 2325 530 228 28 S ATOM 404 SD BMET A 24 -2.299 0.163 4.046 0.23 18.35 S ANISOU 404 SD BMET A 24 2954 2707 1310 580 143 21 S ATOM 405 CE AMET A 24 -0.562 1.009 5.413 0.77 18.98 C ANISOU 405 CE AMET A 24 2413 2458 2340 696 203 69 C ATOM 406 CE BMET A 24 -1.015 1.060 4.912 0.23 18.63 C ANISOU 406 CE BMET A 24 3101 2680 1299 921 120 10 C ATOM 407 H AMET A 24 -5.252 2.687 6.860 0.77 11.52 H ATOM 408 H BMET A 24 -5.198 2.767 6.875 0.23 12.65 H ATOM 409 HA AMET A 24 -4.535 2.190 4.401 0.77 12.94 H ATOM 410 HA BMET A 24 -4.371 2.056 4.541 0.23 13.65 H ATOM 411 HB2AMET A 24 -3.228 1.621 6.255 0.77 17.16 H ATOM 412 HB2BMET A 24 -3.282 1.390 6.483 0.23 16.86 H ATOM 413 HB3AMET A 24 -4.265 0.468 6.607 0.77 17.16 H ATOM 414 HB3BMET A 24 -4.512 0.469 6.879 0.23 16.86 H ATOM 415 HG2AMET A 24 -3.675 -0.736 4.851 0.77 19.67 H ATOM 416 HG2BMET A 24 -2.802 -0.838 6.048 0.23 19.30 H ATOM 417 HG3AMET A 24 -2.954 0.503 4.153 0.77 19.67 H ATOM 418 HG3BMET A 24 -4.047 -0.918 5.065 0.23 19.30 H ATOM 419 HE1AMET A 24 0.314 0.851 5.773 0.77 22.78 H ATOM 420 HE1BMET A 24 -0.378 1.388 4.273 0.23 22.36 H ATOM 421 HE2AMET A 24 -0.506 1.152 4.466 0.77 22.78 H ATOM 422 HE2BMET A 24 -1.413 1.794 5.385 0.23 22.36 H ATOM 423 HE3AMET A 24 -0.957 1.774 5.838 0.77 22.78 H ATOM 424 HE3BMET A 24 -0.583 0.466 5.531 0.23 22.36 H ATOM 425 N ASP A 25 -6.962 0.389 5.461 1.00 8.55 N ANISOU 425 N ASP A 25 1404 995 848 -37 -112 136 N ATOM 426 CA ASP A 25 -8.022 -0.500 5.003 1.00 8.97 C ANISOU 426 CA ASP A 25 1568 853 988 -99 172 269 C ATOM 427 C ASP A 25 -8.894 0.215 3.958 1.00 8.46 C ANISOU 427 C ASP A 25 1480 862 873 -76 3 253 C ATOM 428 O ASP A 25 -9.288 -0.392 2.955 1.00 10.21 O ANISOU 428 O ASP A 25 1829 1113 936 -301 -144 49 O ATOM 429 CB ASP A 25 -8.857 -1.030 6.176 1.00 11.46 C ATOM 430 CG ASP A 25 -9.972 -1.941 5.713 1.00 15.63 C ATOM 431 OD1 ASP A 25 -9.685 -3.112 5.391 1.00 18.58 O ATOM 432 OD2 ASP A 25 -11.125 -1.484 5.659 1.00 15.60 O ATOM 433 H AASP A 25 -7.019 0.616 6.289 0.50 10.26 H ATOM 434 H BASP A 25 -7.025 0.609 6.290 0.50 10.26 H ATOM 435 HA ASP A 25 -7.610 -1.272 4.562 1.00 10.77 H ATOM 436 HB2 ASP A 25 -8.282 -1.535 6.773 1.00 13.75 H ATOM 437 HB3 ASP A 25 -9.254 -0.282 6.648 1.00 13.75 H ATOM 438 N GLU A 26 -9.206 1.488 4.192 1.00 8.28 N ANISOU 438 N GLU A 26 1301 1036 807 -81 -70 295 N ATOM 439 CA GLU A 26 -9.959 2.268 3.205 1.00 8.94 C ANISOU 439 CA GLU A 26 1182 1371 844 -212 -32 174 C ATOM 440 C GLU A 26 -9.207 2.312 1.875 1.00 8.28 C ANISOU 440 C GLU A 26 1151 1162 832 -117 -255 184 C ATOM 441 O GLU A 26 -9.784 2.109 0.814 1.00 9.04 O ANISOU 441 O GLU A 26 1403 1158 873 -177 -286 113 O ATOM 442 CB GLU A 26 -10.237 3.695 3.703 1.00 9.32 C ANISOU 442 CB GLU A 26 1278 1366 896 212 -113 183 C ATOM 443 CG GLU A 26 -11.093 4.487 2.732 1.00 9.98 C ANISOU 443 CG GLU A 26 1365 1444 982 34 -40 182 C ATOM 444 CD GLU A 26 -11.384 5.940 3.137 1.00 9.84 C ANISOU 444 CD GLU A 26 1024 1678 1038 -90 -169 130 C ATOM 445 OE1 GLU A 26 -10.983 6.396 4.238 1.00 12.00 O ANISOU 445 OE1 GLU A 26 1959 1411 1188 41 -348 69 O ATOM 446 OE2 GLU A 26 -12.036 6.610 2.285 1.00 11.25 O ANISOU 446 OE2 GLU A 26 1500 1650 1127 39 -201 235 O ATOM 447 H GLU A 26 -8.998 1.921 4.906 1.00 9.93 H ATOM 448 HA GLU A 26 -10.822 1.831 3.049 1.00 10.73 H ATOM 449 HB2 GLU A 26 -10.706 3.650 4.551 1.00 11.18 H ATOM 450 HB3 GLU A 26 -9.395 4.163 3.813 1.00 11.18 H ATOM 451 HG2 GLU A 26 -10.643 4.509 1.874 1.00 11.97 H ATOM 452 HG3 GLU A 26 -11.947 4.036 2.638 1.00 11.97 H ATOM 453 N VAL A 27 -7.909 2.572 1.927 1.00 7.75 N ANISOU 453 N VAL A 27 1054 1061 830 -124 -81 104 N ATOM 454 CA VAL A 27 -7.107 2.622 0.710 1.00 7.89 C ANISOU 454 CA VAL A 27 1062 1124 811 71 -86 126 C ATOM 455 C VAL A 27 -7.170 1.302 -0.048 1.00 7.94 C ANISOU 455 C VAL A 27 1247 979 791 10 -57 36 C ATOM 456 O VAL A 27 -7.319 1.290 -1.271 1.00 8.89 O ANISOU 456 O VAL A 27 1459 1207 711 -72 -71 15 O ATOM 457 CB VAL A 27 -5.635 2.992 1.039 1.00 7.69 C ANISOU 457 CB VAL A 27 1157 945 821 -85 -72 206 C ATOM 458 CG1 VAL A 27 -4.723 2.745 -0.151 1.00 9.01 C ANISOU 458 CG1 VAL A 27 1227 1292 906 -39 42 -32 C ATOM 459 CG2 VAL A 27 -5.554 4.449 1.480 1.00 9.04 C ANISOU 459 CG2 VAL A 27 1451 1114 871 -173 -121 166 C ATOM 460 H VAL A 27 -7.468 2.722 2.650 1.00 9.30 H ATOM 461 HA VAL A 27 -7.467 3.321 0.124 1.00 9.46 H ATOM 462 HB VAL A 27 -5.324 2.433 1.781 1.00 9.23 H ATOM 463 HG11 VAL A 27 -3.825 2.984 0.090 1.00 10.82 H ATOM 464 HG12 VAL A 27 -4.762 1.815 -0.387 1.00 10.82 H ATOM 465 HG13 VAL A 27 -5.019 3.283 -0.888 1.00 10.82 H ATOM 466 HG21 VAL A 27 -4.640 4.664 1.680 1.00 10.85 H ATOM 467 HG22 VAL A 27 -5.875 5.009 0.769 1.00 10.85 H ATOM 468 HG23 VAL A 27 -6.098 4.569 2.262 1.00 10.85 H ATOM 469 N ARG A 28 -7.047 0.195 0.668 1.00 8.78 N ANISOU 469 N ARG A 28 1485 874 975 132 -147 -111 N ATOM 470 CA ARG A 28 -7.030 -1.105 0.029 1.00 10.83 C ANISOU 470 CA ARG A 28 1864 1071 1179 142 -259 -84 C ATOM 471 C ARG A 28 -8.334 -1.357 -0.722 1.00 10.55 C ANISOU 471 C ARG A 28 2017 909 1081 71 -204 -94 C ATOM 472 O ARG A 28 -8.332 -1.819 -1.870 1.00 10.74 O ANISOU 472 O ARG A 28 1942 1098 1042 84 -198 -148 O ATOM 473 CB ARG A 28 -6.782 -2.189 1.081 1.00 13.24 C ANISOU 473 CB ARG A 28 2373 1151 1506 6 -368 -130 C ATOM 474 CG ARG A 28 -6.866 -3.603 0.556 1.00 19.74 C ANISOU 474 CG ARG A 28 3540 2180 1780 65 -235 -204 C ATOM 475 CD ARG A 28 -6.864 -4.605 1.697 1.00 24.74 C ANISOU 475 CD ARG A 28 4515 2826 2058 -5 -84 -264 C ATOM 476 NE ARG A 28 -7.987 -5.533 1.588 1.00 28.92 N ANISOU 476 NE ARG A 28 5201 3515 2272 -157 35 -370 N ATOM 477 CZ ARG A 28 -9.230 -5.256 1.976 1.00 31.36 C ANISOU 477 CZ ARG A 28 5617 3882 2416 -458 63 -437 C ATOM 478 NH1 ARG A 28 -9.524 -4.068 2.503 1.00 32.02 N ANISOU 478 NH1 ARG A 28 5744 3988 2435 -635 48 -477 N ATOM 479 NH2 ARG A 28 -10.185 -6.168 1.832 1.00 32.65 N ANISOU 479 NH2 ARG A 28 5900 4022 2482 -596 25 -475 N ATOM 480 H ARG A 28 -6.972 0.171 1.525 1.00 10.53 H ATOM 481 HA ARG A 28 -6.294 -1.134 -0.619 1.00 12.99 H ATOM 482 HB2 ARG A 28 -5.894 -2.066 1.452 1.00 15.89 H ATOM 483 HB3 ARG A 28 -7.445 -2.097 1.784 1.00 15.89 H ATOM 484 HG2 ARG A 28 -7.690 -3.712 0.055 1.00 23.69 H ATOM 485 HG3 ARG A 28 -6.100 -3.783 -0.010 1.00 23.69 H ATOM 486 HD2 ARG A 28 -6.041 -5.118 1.673 1.00 29.69 H ATOM 487 HD3 ARG A 28 -6.941 -4.131 2.540 1.00 29.69 H ATOM 488 HE ARG A 28 -7.835 -6.309 1.250 1.00 34.70 H ATOM 489 HH11 ARG A 28 -8.908 -3.475 2.596 1.00 38.43 H ATOM 490 HH12 ARG A 28 -10.329 -3.895 2.751 1.00 38.43 H ATOM 491 HH21 ARG A 28 -9.999 -6.935 1.492 1.00 39.18 H ATOM 492 HH22 ARG A 28 -10.989 -5.991 2.082 1.00 39.18 H ATOM 493 N THR A 29 -9.449 -1.025 -0.085 1.00 9.58 N ANISOU 493 N THR A 29 1672 929 1040 -99 -148 0 N ATOM 494 CA THR A 29 -10.751 -1.221 -0.707 1.00 10.81 C ANISOU 494 CA THR A 29 1785 1277 1045 -353 -120 -119 C ATOM 495 C THR A 29 -10.907 -0.313 -1.922 1.00 9.24 C ANISOU 495 C THR A 29 1457 1093 959 -211 -206 -166 C ATOM 496 O THR A 29 -11.398 -0.742 -2.963 1.00 10.47 O ANISOU 496 O THR A 29 1823 1218 936 -365 -241 -100 O ATOM 497 CB THR A 29 -11.881 -0.975 0.328 1.00 12.72 C ANISOU 497 CB THR A 29 1706 1944 1184 -284 71 150 C ATOM 498 OG1 THR A 29 -11.817 -1.990 1.343 1.00 15.37 O ANISOU 498 OG1 THR A 29 2504 2042 1296 -564 85 390 O ATOM 499 CG2 THR A 29 -13.259 -0.995 -0.335 1.00 14.10 C ANISOU 499 CG2 THR A 29 1904 2212 1241 -506 55 -50 C ATOM 500 H THR A 29 -9.479 -0.686 0.704 1.00 11.50 H ATOM 501 HA THR A 29 -10.821 -2.150 -1.013 1.00 12.97 H ATOM 502 HB THR A 29 -11.754 -0.105 0.738 1.00 15.27 H ATOM 503 HG1 THR A 29 -12.410 -1.870 1.897 1.00 18.45 H ATOM 504 HG21 THR A 29 -13.941 -0.840 0.323 1.00 16.92 H ATOM 505 HG22 THR A 29 -13.311 -0.309 -1.005 1.00 16.92 H ATOM 506 HG23 THR A 29 -13.412 -1.847 -0.749 1.00 16.92 H ATOM 507 N LEU A 30 -10.477 0.938 -1.812 1.00 8.52 N ANISOU 507 N LEU A 30 1391 989 855 -150 -114 -53 N ATOM 508 CA LEU A 30 -10.586 1.846 -2.941 1.00 7.42 C ANISOU 508 CA LEU A 30 1055 1006 758 151 -120 12 C ATOM 509 C LEU A 30 -9.722 1.403 -4.110 1.00 7.34 C ANISOU 509 C LEU A 30 1118 870 801 -7 -202 -114 C ATOM 510 O LEU A 30 -10.136 1.494 -5.265 1.00 8.69 O ANISOU 510 O LEU A 30 1424 1074 803 57 -232 -85 O ATOM 511 CB LEU A 30 -10.213 3.259 -2.528 1.00 7.41 C ANISOU 511 CB LEU A 30 1227 907 682 72 -83 -14 C ATOM 512 CG LEU A 30 -11.189 3.945 -1.583 1.00 7.45 C ANISOU 512 CG LEU A 30 1088 1035 708 166 -1 -35 C ATOM 513 CD1 LEU A 30 -10.584 5.254 -1.120 1.00 8.59 C ANISOU 513 CD1 LEU A 30 1405 1093 768 54 153 -9 C ATOM 514 CD2 LEU A 30 -12.529 4.174 -2.252 1.00 10.54 C ANISOU 514 CD2 LEU A 30 1385 1775 845 281 -89 -78 C ATOM 515 H LEU A 30 -10.125 1.280 -1.106 1.00 10.22 H ATOM 516 HA LEU A 30 -11.517 1.859 -3.246 1.00 8.91 H ATOM 517 HB2 LEU A 30 -9.351 3.232 -2.085 1.00 8.90 H ATOM 518 HB3 LEU A 30 -10.150 3.806 -3.327 1.00 8.90 H ATOM 519 HG LEU A 30 -11.329 3.383 -0.805 1.00 8.94 H ATOM 520 HD11 LEU A 30 -11.198 5.688 -0.524 1.00 10.31 H ATOM 521 HD12 LEU A 30 -9.758 5.073 -0.665 1.00 10.31 H ATOM 522 HD13 LEU A 30 -10.421 5.811 -1.885 1.00 10.31 H ATOM 523 HD21 LEU A 30 -13.118 4.607 -1.630 1.00 12.65 H ATOM 524 HD22 LEU A 30 -12.401 4.730 -3.024 1.00 12.65 H ATOM 525 HD23 LEU A 30 -12.895 3.326 -2.515 1.00 12.65 H ATOM 526 N GLN A 31 -8.517 0.924 -3.816 1.00 8.25 N ANISOU 526 N GLN A 31 1374 939 821 115 -82 -90 N ATOM 527 CA GLN A 31 -7.637 0.420 -4.867 1.00 8.83 C ANISOU 527 CA GLN A 31 1448 1001 907 167 -44 -115 C ATOM 528 C GLN A 31 -8.254 -0.757 -5.617 1.00 9.15 C ANISOU 528 C GLN A 31 1474 1037 965 195 -173 -163 C ATOM 529 O GLN A 31 -8.170 -0.840 -6.843 1.00 9.65 O ANISOU 529 O GLN A 31 1423 1293 949 371 -285 -324 O ATOM 530 CB GLN A 31 -6.299 -0.004 -4.273 1.00 10.03 C ANISOU 530 CB GLN A 31 1278 1476 1058 273 -175 -7 C ATOM 531 CG GLN A 31 -5.428 1.167 -3.910 1.00 10.61 C ANISOU 531 CG GLN A 31 1417 1435 1179 -28 2 145 C ATOM 532 CD GLN A 31 -4.200 0.750 -3.130 1.00 11.93 C ANISOU 532 CD GLN A 31 1427 1765 1343 34 -27 216 C ATOM 533 OE1 GLN A 31 -4.220 -0.254 -2.416 1.00 12.67 O ANISOU 533 OE1 GLN A 31 1648 1731 1436 -118 -293 265 O ATOM 534 NE2 GLN A 31 -3.140 1.539 -3.226 1.00 14.53 N ANISOU 534 NE2 GLN A 31 1771 2315 1433 110 -198 368 N ATOM 535 H GLN A 31 -8.187 0.880 -3.023 1.00 9.90 H ATOM 536 HA GLN A 31 -7.469 1.137 -5.514 1.00 10.60 H ATOM 537 HB2 GLN A 31 -6.460 -0.520 -3.467 1.00 12.04 H ATOM 538 HB3 GLN A 31 -5.821 -0.543 -4.922 1.00 12.04 H ATOM 539 HG2 GLN A 31 -5.133 1.607 -4.722 1.00 12.73 H ATOM 540 HG3 GLN A 31 -5.938 1.784 -3.362 1.00 12.73 H ATOM 541 HE21 GLN A 31 -3.173 2.246 -3.714 1.00 17.43 H ATOM 542 HE22 GLN A 31 -2.418 1.344 -2.801 1.00 17.43 H ATOM 543 N GLU A 32 -8.873 -1.678 -4.883 1.00 10.04 N ANISOU 543 N GLU A 32 1848 922 1044 148 -245 -60 N ATOM 544 CA GLU A 32 -9.548 -2.808 -5.506 1.00 11.86 C ANISOU 544 CA GLU A 32 2310 996 1201 124 -441 -13 C ATOM 545 C GLU A 32 -10.609 -2.314 -6.490 1.00 10.53 C ANISOU 545 C GLU A 32 2072 811 1116 -41 -322 -163 C ATOM 546 O GLU A 32 -10.699 -2.799 -7.623 1.00 11.37 O ANISOU 546 O GLU A 32 2130 1070 1120 58 -224 -190 O ATOM 547 CB GLU A 32 -10.192 -3.690 -4.437 1.00 15.43 C ANISOU 547 CB GLU A 32 3171 1216 1477 -204 -693 154 C ATOM 548 CG GLU A 32 -9.194 -4.478 -3.605 1.00 22.06 C ANISOU 548 CG GLU A 32 4456 2179 1745 -55 -726 324 C ATOM 549 CD GLU A 32 -9.818 -5.125 -2.375 1.00 27.95 C ANISOU 549 CD GLU A 32 5676 2971 1971 -53 -649 437 C ATOM 550 OE1 GLU A 32 -9.081 -5.790 -1.614 1.00 30.69 O ANISOU 550 OE1 GLU A 32 6274 3347 2039 43 -659 481 O ATOM 551 OE2 GLU A 32 -11.041 -4.964 -2.158 1.00 29.73 O ANISOU 551 OE2 GLU A 32 5953 3268 2073 -122 -626 442 O ATOM 552 H GLU A 32 -8.915 -1.671 -4.024 1.00 12.04 H ATOM 553 HA GLU A 32 -8.894 -3.346 -6.000 1.00 14.24 H ATOM 554 HB2 GLU A 32 -10.702 -3.128 -3.834 1.00 18.52 H ATOM 555 HB3 GLU A 32 -10.782 -4.326 -4.871 1.00 18.52 H ATOM 556 HG2 GLU A 32 -8.814 -5.182 -4.153 1.00 26.47 H ATOM 557 HG3 GLU A 32 -8.493 -3.879 -3.304 1.00 26.47 H ATOM 558 N ASN A 33 -11.433 -1.370 -6.054 1.00 9.38 N ANISOU 558 N ASN A 33 1613 928 1025 49 -274 -72 N ATOM 559 CA ASN A 33 -12.481 -0.846 -6.924 1.00 9.60 C ANISOU 559 CA ASN A 33 1319 1290 1040 59 -137 -25 C ATOM 560 C ASN A 33 -11.893 -0.111 -8.124 1.00 8.40 C ANISOU 560 C ASN A 33 1108 1188 894 88 -107 -132 C ATOM 561 O ASN A 33 -12.354 -0.273 -9.253 1.00 9.41 O ANISOU 561 O ASN A 33 1231 1525 820 145 -205 -155 O ATOM 562 CB ASN A 33 -13.414 0.084 -6.147 1.00 12.31 C ANISOU 562 CB ASN A 33 1567 1862 1248 56 108 -11 C ATOM 563 CG ASN A 33 -14.394 -0.671 -5.239 1.00 16.30 C ANISOU 563 CG ASN A 33 2203 2466 1523 -427 14 -69 C ATOM 564 OD1 ASN A 33 -15.431 -1.153 -5.705 1.00 20.45 O ANISOU 564 OD1 ASN A 33 2660 3364 1744 -615 28 53 O ATOM 565 ND2 ASN A 33 -14.086 -0.748 -3.949 1.00 18.11 N ANISOU 565 ND2 ASN A 33 2556 2719 1603 -126 261 8 N ATOM 566 H ASN A 33 -11.409 -1.019 -5.269 1.00 11.26 H ATOM 567 HA ASN A 33 -13.016 -1.594 -7.262 1.00 11.52 H ATOM 568 HB2 ASN A 33 -12.881 0.671 -5.589 1.00 14.77 H ATOM 569 HB3 ASN A 33 -13.934 0.608 -6.777 1.00 14.77 H ATOM 570 HD21 ASN A 33 -13.364 -0.384 -3.656 1.00 21.73 H ATOM 571 HD22 ASN A 33 -14.609 -1.163 -3.406 1.00 21.73 H ATOM 572 N LEU A 34 -10.854 0.676 -7.885 1.00 7.74 N ANISOU 572 N LEU A 34 1198 904 839 104 -93 -97 N ATOM 573 CA LEU A 34 -10.206 1.394 -8.978 1.00 8.40 C ANISOU 573 CA LEU A 34 1261 1092 837 156 -55 -160 C ATOM 574 C LEU A 34 -9.694 0.422 -10.045 1.00 8.24 C ANISOU 574 C LEU A 34 1366 989 776 101 -140 -212 C ATOM 575 O LEU A 34 -9.901 0.638 -11.241 1.00 8.35 O ANISOU 575 O LEU A 34 1342 1096 735 140 -99 -89 O ATOM 576 CB LEU A 34 -9.048 2.229 -8.441 1.00 8.92 C ANISOU 576 CB LEU A 34 1333 1071 987 157 -44 -169 C ATOM 577 CG LEU A 34 -8.237 2.983 -9.499 1.00 10.44 C ANISOU 577 CG LEU A 34 1420 1394 1153 6 42 -138 C ATOM 578 CD1 LEU A 34 -9.154 3.894 -10.294 1.00 12.76 C ANISOU 578 CD1 LEU A 34 1943 1629 1278 40 195 52 C ATOM 579 CD2 LEU A 34 -7.070 3.750 -8.892 1.00 12.64 C ANISOU 579 CD2 LEU A 34 1791 1754 1259 -408 54 -151 C ATOM 580 H LEU A 34 -10.506 0.812 -7.110 1.00 9.29 H ATOM 581 HA LEU A 34 -10.854 1.999 -9.397 1.00 10.07 H ATOM 582 HB2 LEU A 34 -9.403 2.887 -7.823 1.00 10.71 H ATOM 583 HB3 LEU A 34 -8.437 1.640 -7.971 1.00 10.71 H ATOM 584 HG LEU A 34 -7.866 2.335 -10.118 1.00 12.53 H ATOM 585 HD11 LEU A 34 -8.635 4.361 -10.953 1.00 15.32 H ATOM 586 HD12 LEU A 34 -9.827 3.361 -10.723 1.00 15.32 H ATOM 587 HD13 LEU A 34 -9.565 4.522 -9.695 1.00 15.32 H ATOM 588 HD21 LEU A 34 -6.596 4.203 -9.593 1.00 15.17 H ATOM 589 HD22 LEU A 34 -7.410 4.388 -8.261 1.00 15.17 H ATOM 590 HD23 LEU A 34 -6.486 3.130 -8.449 1.00 15.17 H ATOM 591 N HIS A 35 -9.025 -0.644 -9.624 1.00 7.85 N ANISOU 591 N HIS A 35 1191 934 857 279 -180 -150 N ATOM 592 CA HIS A 35 -8.441 -1.559 -10.588 1.00 9.05 C ANISOU 592 CA HIS A 35 1285 1205 947 334 -248 -298 C ATOM 593 C HIS A 35 -9.518 -2.298 -11.381 1.00 9.76 C ANISOU 593 C HIS A 35 1637 1083 988 353 -208 -269 C ATOM 594 O HIS A 35 -9.357 -2.521 -12.576 1.00 10.23 O ANISOU 594 O HIS A 35 1700 1232 957 528 -257 -328 O ATOM 595 CB HIS A 35 -7.481 -2.508 -9.885 1.00 10.84 C ANISOU 595 CB HIS A 35 1698 1356 1063 374 -193 -262 C ATOM 596 CG HIS A 35 -6.343 -1.798 -9.208 1.00 10.87 C ANISOU 596 CG HIS A 35 1482 1384 1266 308 -243 -327 C ATOM 597 ND1 HIS A 35 -5.574 -2.382 -8.229 1.00 13.37 N ANISOU 597 ND1 HIS A 35 1847 1864 1367 296 -281 -207 N ATOM 598 CD2 HIS A 35 -5.864 -0.539 -9.358 1.00 12.40 C ANISOU 598 CD2 HIS A 35 1567 1780 1364 301 -170 -313 C ATOM 599 CE1 HIS A 35 -4.673 -1.518 -7.802 1.00 13.83 C ANISOU 599 CE1 HIS A 35 1789 2059 1407 97 -348 -267 C ATOM 600 NE2 HIS A 35 -4.823 -0.394 -8.475 1.00 14.22 N ANISOU 600 NE2 HIS A 35 1794 2178 1432 128 -214 -308 N ATOM 601 H HIS A 35 -8.897 -0.856 -8.800 1.00 9.42 H ATOM 602 HA HIS A 35 -7.916 -1.036 -11.229 1.00 10.85 H ATOM 603 HB2 HIS A 35 -7.968 -3.005 -9.209 1.00 13.00 H ATOM 604 HB3 HIS A 35 -7.106 -3.118 -10.538 1.00 13.00 H ATOM 605 HD1 HIS A 35 -5.672 -3.184 -7.933 1.00 16.04 H ATOM 606 HD2 HIS A 35 -6.182 0.106 -9.948 1.00 14.88 H ATOM 607 HE1 HIS A 35 -4.031 -1.679 -7.149 1.00 16.60 H ATOM 608 HE2 HIS A 35 -4.346 0.315 -8.377 1.00 17.07 H ATOM 609 N GLN A 36 -10.623 -2.649 -10.727 1.00 8.95 N ANISOU 609 N GLN A 36 1486 883 1033 282 -377 -189 N ATOM 610 CA GLN A 36 -11.749 -3.303 -11.404 1.00 10.70 C ANISOU 610 CA GLN A 36 1824 1096 1145 50 -385 -186 C ATOM 611 C GLN A 36 -12.365 -2.379 -12.457 1.00 9.33 C ANISOU 611 C GLN A 36 1519 974 1051 41 -215 -272 C ATOM 612 O GLN A 36 -12.659 -2.791 -13.589 1.00 9.28 O ANISOU 612 O GLN A 36 1356 1031 1138 242 -190 -400 O ATOM 613 CB GLN A 36 -12.806 -3.691 -10.362 1.00 13.06 C ANISOU 613 CB GLN A 36 2275 1386 1300 -409 -477 -74 C ATOM 614 CG GLN A 36 -14.144 -4.241 -10.861 1.00 19.49 C ANISOU 614 CG GLN A 36 3389 2491 1526 -321 -156 -130 C ATOM 615 CD GLN A 36 -15.129 -4.443 -9.706 1.00 24.08 C ANISOU 615 CD GLN A 36 4122 3332 1696 -596 -11 -239 C ATOM 616 OE1 GLN A 36 -14.907 -3.962 -8.593 1.00 27.20 O ANISOU 616 OE1 GLN A 36 4626 3928 1782 -287 117 -389 O ATOM 617 NE2 GLN A 36 -16.206 -5.178 -9.958 1.00 25.26 N ANISOU 617 NE2 GLN A 36 4297 3523 1778 -663 44 -214 N ATOM 618 H GLN A 36 -10.748 -2.520 -9.886 1.00 10.74 H ATOM 619 HA GLN A 36 -11.436 -4.118 -11.849 1.00 12.84 H ATOM 620 HB2 GLN A 36 -12.421 -4.369 -9.785 1.00 15.67 H ATOM 621 HB3 GLN A 36 -13.006 -2.903 -9.833 1.00 15.67 H ATOM 622 HG2 GLN A 36 -14.535 -3.613 -11.489 1.00 23.39 H ATOM 623 HG3 GLN A 36 -13.997 -5.099 -11.290 1.00 23.39 H ATOM 624 HE21 GLN A 36 -16.324 -5.515 -10.740 1.00 30.31 H ATOM 625 HE22 GLN A 36 -16.786 -5.317 -9.338 1.00 30.31 H ATOM 626 N LEU A 37 -12.578 -1.128 -12.086 1.00 7.86 N ANISOU 626 N LEU A 37 1262 809 915 87 -132 -116 N ATOM 627 CA LEU A 37 -13.219 -0.198 -12.993 1.00 8.33 C ANISOU 627 CA LEU A 37 1217 1081 865 268 -133 -229 C ATOM 628 C LEU A 37 -12.282 0.240 -14.110 1.00 8.03 C ANISOU 628 C LEU A 37 1265 1000 786 279 -204 -236 C ATOM 629 O LEU A 37 -12.724 0.459 -15.225 1.00 8.95 O ANISOU 629 O LEU A 37 1349 1373 680 608 -128 -243 O ATOM 630 CB LEU A 37 -13.769 0.995 -12.218 1.00 8.62 C ANISOU 630 CB LEU A 37 1199 1133 941 152 -76 -327 C ATOM 631 CG LEU A 37 -14.918 0.659 -11.259 1.00 10.82 C ANISOU 631 CG LEU A 37 1487 1616 1007 268 -48 -418 C ATOM 632 CD1 LEU A 37 -15.257 1.869 -10.400 1.00 12.17 C ANISOU 632 CD1 LEU A 37 1865 1754 1004 499 -15 -439 C ATOM 633 CD2 LEU A 37 -16.148 0.178 -12.018 1.00 13.20 C ANISOU 633 CD2 LEU A 37 1511 2378 1127 -59 -92 -416 C ATOM 634 H LEU A 37 -12.364 -0.796 -11.322 1.00 9.43 H ATOM 635 HA LEU A 37 -13.981 -0.650 -13.411 1.00 9.99 H ATOM 636 HB2 LEU A 37 -13.051 1.381 -11.692 1.00 10.34 H ATOM 637 HB3 LEU A 37 -14.098 1.651 -12.852 1.00 10.34 H ATOM 638 HG LEU A 37 -14.635 -0.056 -10.667 1.00 12.98 H ATOM 639 HD11 LEU A 37 -15.976 1.640 -9.808 1.00 14.60 H ATOM 640 HD12 LEU A 37 -14.481 2.119 -9.893 1.00 14.60 H ATOM 641 HD13 LEU A 37 -15.521 2.593 -10.973 1.00 14.60 H ATOM 642 HD21 LEU A 37 -16.845 -0.023 -11.389 1.00 15.84 H ATOM 643 HD22 LEU A 37 -16.436 0.872 -12.616 1.00 15.84 H ATOM 644 HD23 LEU A 37 -15.919 -0.610 -12.516 1.00 15.84 H ATOM 645 N AMET A 38 -10.983 0.347 -13.800 0.75 8.06 N ANISOU 645 N AMET A 38 1230 1006 825 190 -178 -145 N ATOM 646 N BMET A 38 -10.996 0.329 -13.839 0.25 7.49 N ANISOU 646 N BMET A 38 1156 933 757 236 -153 -170 N ATOM 647 CA AMET A 38 -9.949 0.639 -14.803 0.75 8.88 C ANISOU 647 CA AMET A 38 1406 1018 951 106 -103 -115 C ATOM 648 CA BMET A 38 -10.101 0.724 -14.899 0.25 7.19 C ANISOU 648 CA BMET A 38 1137 839 757 187 -98 -129 C ATOM 649 C AMET A 38 -9.956 -0.411 -15.893 0.75 7.66 C ANISOU 649 C AMET A 38 1060 963 886 132 -112 -130 C ATOM 650 C BMET A 38 -9.876 -0.416 -15.908 0.25 7.72 C ANISOU 650 C BMET A 38 1151 957 824 265 -112 -145 C ATOM 651 O AMET A 38 -9.870 -0.097 -17.078 0.75 8.11 O ANISOU 651 O AMET A 38 1204 1062 815 137 112 -57 O ATOM 652 O BMET A 38 -9.561 -0.157 -17.070 0.25 8.50 O ANISOU 652 O BMET A 38 1242 1188 800 313 -159 -109 O ATOM 653 CB AMET A 38 -8.553 0.678 -14.161 0.75 10.14 C ATOM 654 CB BMET A 38 -8.800 1.238 -14.320 0.25 5.75 C ATOM 655 CG AMET A 38 -8.242 2.001 -13.478 0.75 12.40 C ATOM 656 CG BMET A 38 -7.667 1.048 -15.253 0.25 20.89 C ATOM 657 SD AMET A 38 -6.673 1.967 -12.620 0.75 17.82 S ATOM 658 SD BMET A 38 -6.949 -0.548 -15.025 0.25 10.64 S ATOM 659 CE AMET A 38 -6.372 3.696 -12.249 0.75 40.24 C ATOM 660 CE BMET A 38 -5.701 0.035 -13.922 0.25 2.02 C ATOM 661 H AMET A 38 -10.672 0.253 -13.004 0.75 9.67 H ATOM 662 H BMET A 38 -10.627 0.172 -13.078 0.25 8.99 H ATOM 663 HA AMET A 38 -10.126 1.517 -15.201 0.75 10.66 H ATOM 664 HA BMET A 38 -10.515 1.472 -15.378 0.25 8.63 H ATOM 665 HB2AMET A 38 -8.495 -0.023 -13.494 0.75 12.17 H ATOM 666 HB2BMET A 38 -8.886 2.186 -14.137 0.25 6.90 H ATOM 667 HB3AMET A 38 -7.887 0.534 -14.851 0.75 12.17 H ATOM 668 HB3BMET A 38 -8.603 0.755 -13.502 0.25 6.90 H ATOM 669 HG2AMET A 38 -8.205 2.703 -14.146 0.75 14.88 H ATOM 670 HG2BMET A 38 -7.985 1.115 -16.167 0.25 25.07 H ATOM 671 HG3AMET A 38 -8.936 2.195 -12.829 0.75 14.88 H ATOM 672 HG3BMET A 38 -6.989 1.719 -15.079 0.25 25.07 H ATOM 673 HE1AMET A 38 -5.538 3.774 -11.781 0.75 48.29 H ATOM 674 HE1BMET A 38 -5.155 -0.705 -13.649 0.25 2.43 H ATOM 675 HE2AMET A 38 -6.335 4.190 -13.072 0.75 48.29 H ATOM 676 HE2BMET A 38 -5.164 0.689 -14.375 0.25 2.43 H ATOM 677 HE3AMET A 38 -7.088 4.026 -11.701 0.75 48.29 H ATOM 678 HE3BMET A 38 -6.122 0.432 -13.156 0.25 2.43 H ATOM 679 N HIS A 39 -10.047 -1.666 -15.481 1.00 8.22 N ANISOU 679 N HIS A 39 1252 935 935 326 52 -173 N ATOM 680 CA HIS A 39 -10.041 -2.764 -16.419 1.00 8.65 C ANISOU 680 CA HIS A 39 1204 908 1176 170 161 -259 C ATOM 681 C HIS A 39 -11.156 -2.573 -17.445 1.00 9.81 C ANISOU 681 C HIS A 39 1347 1184 1195 281 122 -481 C ATOM 682 O HIS A 39 -10.937 -2.697 -18.653 1.00 10.77 O ANISOU 682 O HIS A 39 1404 1544 1143 50 107 -403 O ATOM 683 CB HIS A 39 -10.225 -4.096 -15.711 1.00 9.28 C ANISOU 683 CB HIS A 39 1158 977 1389 106 357 -276 C ATOM 684 CG HIS A 39 -10.561 -5.199 -16.652 1.00 10.46 C ANISOU 684 CG HIS A 39 1134 1245 1597 57 473 -327 C ATOM 685 ND1 HIS A 39 -9.608 -5.864 -17.389 1.00 10.28 N ANISOU 685 ND1 HIS A 39 1258 976 1670 -100 436 -379 N ATOM 686 CD2 HIS A 39 -11.759 -5.682 -17.052 1.00 12.14 C ANISOU 686 CD2 HIS A 39 1457 1408 1749 12 326 -368 C ATOM 687 CE1 HIS A 39 -10.206 -6.750 -18.164 1.00 11.92 C ANISOU 687 CE1 HIS A 39 1423 1332 1773 -157 323 -526 C ATOM 688 NE2 HIS A 39 -11.510 -6.660 -17.978 1.00 13.19 N ANISOU 688 NE2 HIS A 39 1643 1566 1804 -303 213 -438 N ATOM 689 H AHIS A 39 -10.113 -1.906 -14.658 0.50 9.86 H ATOM 690 H BHIS A 39 -10.166 -1.895 -14.661 0.50 9.86 H ATOM 691 HA HIS A 39 -9.184 -2.782 -16.894 1.00 10.38 H ATOM 692 HB2 HIS A 39 -9.401 -4.329 -15.255 1.00 11.13 H ATOM 693 HB3 HIS A 39 -10.949 -4.016 -15.070 1.00 11.13 H ATOM 694 HD2 HIS A 39 -12.594 -5.420 -16.735 1.00 14.57 H ATOM 695 HE1 HIS A 39 -9.780 -7.338 -18.746 1.00 14.30 H ATOM 696 HE2 HIS A 39 -12.106 -7.137 -18.374 1.00 15.83 H ATOM 697 N GLU A 40 -12.364 -2.285 -16.972 1.00 9.68 N ANISOU 697 N GLU A 40 1128 1277 1272 166 46 -472 N ATOM 698 CA GLU A 40 -13.494 -2.184 -17.872 1.00 10.44 C ANISOU 698 CA GLU A 40 1040 1504 1422 192 -95 -524 C ATOM 699 C GLU A 40 -13.361 -0.927 -18.720 1.00 10.81 C ANISOU 699 C GLU A 40 1270 1631 1208 196 -253 -468 C ATOM 700 O GLU A 40 -13.663 -0.952 -19.909 1.00 14.34 O ANISOU 700 O GLU A 40 2152 2134 1164 538 -491 -602 O ATOM 701 CB GLU A 40 -14.815 -2.184 -17.086 1.00 13.71 C ANISOU 701 CB GLU A 40 1243 2238 1726 254 -192 -495 C ATOM 702 CG GLU A 40 -16.045 -2.437 -17.942 1.00 18.17 C ANISOU 702 CG GLU A 40 2074 2847 1984 319 -187 -506 C ATOM 703 CD GLU A 40 -16.073 -3.826 -18.574 1.00 22.11 C ANISOU 703 CD GLU A 40 2703 3461 2237 161 -270 -402 C ATOM 704 OE1 GLU A 40 -16.741 -3.979 -19.614 1.00 25.56 O ANISOU 704 OE1 GLU A 40 3481 3893 2339 313 -261 -420 O ATOM 705 OE2 GLU A 40 -15.451 -4.763 -18.031 1.00 23.45 O ANISOU 705 OE2 GLU A 40 2919 3619 2372 -100 -162 -323 O ATOM 706 H GLU A 40 -12.550 -2.145 -16.144 1.00 11.61 H ATOM 707 HA GLU A 40 -13.497 -2.958 -18.472 1.00 12.52 H ATOM 708 HB2 GLU A 40 -14.776 -2.880 -16.411 1.00 16.45 H ATOM 709 HB3 GLU A 40 -14.924 -1.320 -16.659 1.00 16.45 H ATOM 710 HG2 GLU A 40 -16.836 -2.347 -17.389 1.00 21.81 H ATOM 711 HG3 GLU A 40 -16.068 -1.784 -18.659 1.00 21.81 H ATOM 712 N TYR A 41 -12.916 0.177 -18.127 1.00 9.61 N ANISOU 712 N TYR A 41 1273 1332 1048 315 11 -224 N ATOM 713 CA TYR A 41 -12.866 1.436 -18.850 1.00 10.46 C ANISOU 713 CA TYR A 41 1587 1439 948 393 90 -104 C ATOM 714 C TYR A 41 -11.790 1.468 -19.946 1.00 11.10 C ANISOU 714 C TYR A 41 1594 1703 921 250 86 -14 C ATOM 715 O TYR A 41 -12.037 1.928 -21.070 1.00 12.87 O ANISOU 715 O TYR A 41 1848 2107 935 415 84 187 O ATOM 716 CB TYR A 41 -12.679 2.628 -17.887 1.00 10.56 C ANISOU 716 CB TYR A 41 1769 1258 984 427 243 -113 C ATOM 717 CG TYR A 41 -12.808 3.924 -18.627 1.00 11.42 C ANISOU 717 CG TYR A 41 1772 1476 1092 161 272 33 C ATOM 718 CD1 TYR A 41 -14.058 4.392 -19.016 1.00 12.93 C ANISOU 718 CD1 TYR A 41 2059 1622 1233 333 303 168 C ATOM 719 CD2 TYR A 41 -11.699 4.650 -19.002 1.00 12.30 C ANISOU 719 CD2 TYR A 41 1792 1643 1237 49 138 17 C ATOM 720 CE1 TYR A 41 -14.197 5.546 -19.737 1.00 13.80 C ANISOU 720 CE1 TYR A 41 2141 1786 1315 509 274 210 C ATOM 721 CE2 TYR A 41 -11.829 5.818 -19.733 1.00 13.52 C ANISOU 721 CE2 TYR A 41 1973 1815 1350 66 128 152 C ATOM 722 CZ TYR A 41 -13.085 6.260 -20.094 1.00 13.78 C ANISOU 722 CZ TYR A 41 2123 1714 1399 368 168 295 C ATOM 723 OH TYR A 41 -13.253 7.408 -20.837 1.00 15.02 O ANISOU 723 OH TYR A 41 2337 1868 1502 453 229 461 O ATOM 724 H TYR A 41 -12.640 0.221 -17.314 1.00 11.53 H ATOM 725 HA TYR A 41 -13.730 1.561 -19.296 1.00 12.55 H ATOM 726 HB2 TYR A 41 -13.362 2.598 -17.198 1.00 12.67 H ATOM 727 HB3 TYR A 41 -11.795 2.588 -17.489 1.00 12.67 H ATOM 728 HD1 TYR A 41 -14.817 3.906 -18.784 1.00 15.52 H ATOM 729 HD2 TYR A 41 -10.851 4.348 -18.766 1.00 14.76 H ATOM 730 HE1 TYR A 41 -15.043 5.843 -19.985 1.00 16.55 H ATOM 731 HE2 TYR A 41 -11.074 6.302 -19.978 1.00 16.23 H ATOM 732 HH TYR A 41 -12.857 7.340 -21.552 1.00 18.03 H ATOM 733 N PHE A 42 -10.594 0.988 -19.631 1.00 10.73 N ANISOU 733 N PHE A 42 1387 1737 952 240 -8 -182 N ATOM 734 CA PHE A 42 -9.466 1.110 -20.544 1.00 11.33 C ANISOU 734 CA PHE A 42 1331 1823 1149 11 78 -208 C ATOM 735 C PHE A 42 -9.304 -0.084 -21.486 1.00 13.50 C ANISOU 735 C PHE A 42 1850 1895 1386 106 266 -591 C ATOM 736 O PHE A 42 -8.449 -0.067 -22.364 1.00 14.51 O ANISOU 736 O PHE A 42 2398 1682 1434 159 544 -433 O ATOM 737 CB PHE A 42 -8.172 1.347 -19.770 1.00 11.45 C ANISOU 737 CB PHE A 42 1219 1877 1254 2 137 -112 C ATOM 738 CG PHE A 42 -8.053 2.727 -19.194 1.00 11.80 C ANISOU 738 CG PHE A 42 1561 1584 1337 -62 148 -96 C ATOM 739 CD1 PHE A 42 -7.930 3.831 -20.019 1.00 13.27 C ANISOU 739 CD1 PHE A 42 1998 1556 1490 59 203 -135 C ATOM 740 CD2 PHE A 42 -8.033 2.927 -17.834 1.00 13.84 C ANISOU 740 CD2 PHE A 42 2191 1679 1388 -267 182 -103 C ATOM 741 CE1 PHE A 42 -7.810 5.089 -19.484 1.00 15.03 C ANISOU 741 CE1 PHE A 42 2266 1821 1623 -219 298 -150 C ATOM 742 CE2 PHE A 42 -7.902 4.185 -17.296 1.00 14.93 C ANISOU 742 CE2 PHE A 42 2262 1920 1492 -582 270 -288 C ATOM 743 CZ PHE A 42 -7.799 5.265 -18.126 1.00 14.38 C ANISOU 743 CZ PHE A 42 2162 1697 1604 -180 363 -287 C ATOM 744 H PHE A 42 -10.408 0.587 -18.893 1.00 12.87 H ATOM 745 HA PHE A 42 -9.615 1.900 -21.105 1.00 13.59 H ATOM 746 HB2 PHE A 42 -8.127 0.715 -19.035 1.00 13.74 H ATOM 747 HB3 PHE A 42 -7.421 1.209 -20.368 1.00 13.74 H ATOM 748 HD1 PHE A 42 -7.940 3.720 -20.942 1.00 15.93 H ATOM 749 HD2 PHE A 42 -8.105 2.194 -17.265 1.00 16.61 H ATOM 750 HE1 PHE A 42 -7.735 5.826 -20.047 1.00 18.03 H ATOM 751 HE2 PHE A 42 -7.899 4.301 -16.373 1.00 17.92 H ATOM 752 HZ PHE A 42 -7.715 6.120 -17.768 1.00 17.25 H ATOM 753 N GLN A 43 -10.098 -1.130 -21.323 1.00 15.70 N ANISOU 753 N GLN A 43 1850 2486 1628 -87 115 -986 N ATOM 754 CA GLN A 43 -10.063 -2.194 -22.321 1.00 19.52 C ANISOU 754 CA GLN A 43 2444 2923 2051 -421 58 -1233 C ATOM 755 C GLN A 43 -10.742 -1.661 -23.592 1.00 22.96 C ANISOU 755 C GLN A 43 2777 3828 2119 -410 123 -1467 C ATOM 756 O GLN A 43 -11.774 -1.010 -23.517 1.00 26.30 O ANISOU 756 O GLN A 43 3579 4264 2149 -240 29 -1332 O ATOM 757 CB GLN A 43 -10.727 -3.466 -21.795 1.00 19.11 C ATOM 758 CG GLN A 43 -12.234 -3.406 -21.688 1.00 26.97 C ATOM 759 CD GLN A 43 -12.835 -4.738 -21.280 1.00 47.81 C ATOM 760 OE1 GLN A 43 -12.166 -5.771 -21.319 1.00 46.30 O ATOM 761 NE2 GLN A 43 -14.100 -4.719 -20.879 1.00 43.25 N ATOM 762 H GLN A 43 -10.646 -1.251 -20.672 1.00 18.84 H ATOM 763 HA GLN A 43 -9.130 -2.403 -22.537 1.00 23.43 H ATOM 764 HB2 GLN A 43 -10.506 -4.198 -22.392 1.00 22.94 H ATOM 765 HB3 GLN A 43 -10.378 -3.653 -20.910 1.00 22.94 H ATOM 766 HG2 GLN A 43 -12.479 -2.747 -21.019 1.00 32.36 H ATOM 767 HG3 GLN A 43 -12.605 -3.160 -22.550 1.00 32.36 H ATOM 768 HE21 GLN A 43 -14.535 -3.977 -20.862 1.00 51.90 H ATOM 769 HE22 GLN A 43 -14.486 -5.448 -20.638 1.00 51.90 H ATOM 770 N GLN A 44 -10.157 -1.907 -24.761 1.00 25.51 N ANISOU 770 N GLN A 44 3006 4414 2272 -683 48 -1551 N ATOM 771 CA GLN A 44 -10.757 -1.414 -26.009 1.00 27.59 C ANISOU 771 CA GLN A 44 3387 4592 2505 -557 50 -1381 C ATOM 772 C GLN A 44 -11.690 -2.484 -26.596 1.00 26.50 C ANISOU 772 C GLN A 44 3360 4013 2695 -309 96 -1395 C ATOM 773 O GLN A 44 -11.248 -3.421 -27.257 1.00 28.59 O ANISOU 773 O GLN A 44 3691 4436 2735 -325 156 -1341 O ATOM 774 CB GLN A 44 -9.672 -0.937 -26.992 1.00 29.72 C ANISOU 774 CB GLN A 44 3860 4884 2547 -663 32 -1313 C ATOM 775 CG GLN A 44 -8.733 0.125 -26.369 1.00 31.66 C ANISOU 775 CG GLN A 44 4267 5166 2596 -799 -40 -1204 C ATOM 776 CD GLN A 44 -7.936 0.942 -27.388 1.00 32.92 C ANISOU 776 CD GLN A 44 4601 5280 2630 -724 -101 -1150 C ATOM 777 OE1 GLN A 44 -6.725 0.756 -27.545 1.00 32.20 O ANISOU 777 OE1 GLN A 44 4524 5101 2611 -838 -30 -1177 O ATOM 778 NE2 GLN A 44 -8.608 1.879 -28.050 1.00 33.92 N ANISOU 778 NE2 GLN A 44 4802 5414 2672 -634 -158 -1078 N ATOM 779 H GLN A 44 -9.425 -2.348 -24.863 1.00 30.61 H ATOM 780 HA GLN A 44 -11.312 -0.636 -25.793 1.00 33.11 H ATOM 781 HB2 GLN A 44 -9.131 -1.696 -27.260 1.00 35.66 H ATOM 782 HB3 GLN A 44 -10.099 -0.542 -27.769 1.00 35.66 H ATOM 783 HG2 GLN A 44 -9.267 0.744 -25.848 1.00 37.99 H ATOM 784 HG3 GLN A 44 -8.097 -0.325 -25.791 1.00 37.99 H ATOM 785 HE21 GLN A 44 -9.445 1.999 -27.895 1.00 40.70 H ATOM 786 HE22 GLN A 44 -8.205 2.366 -28.634 1.00 40.70 H ATOM 787 N SER A 45 -12.985 -2.313 -26.330 1.00 22.35 N ATOM 788 CA SER A 45 -13.995 -3.365 -26.478 1.00 22.47 C ATOM 789 C SER A 45 -14.645 -3.404 -27.856 1.00 15.43 C ATOM 790 O SER A 45 -14.743 -2.374 -28.522 1.00 21.19 O ATOM 791 CB SER A 45 -15.107 -3.135 -25.450 1.00 17.44 C ATOM 792 OG SER A 45 -14.587 -3.015 -24.133 1.00 23.22 O ATOM 793 H SER A 45 -13.315 -1.569 -26.052 1.00 26.82 H ATOM 794 HA SER A 45 -13.586 -4.238 -26.304 1.00 26.96 H ATOM 795 HB2 SER A 45 -15.578 -2.318 -25.677 1.00 20.93 H ATOM 796 HB3 SER A 45 -15.720 -3.886 -25.478 1.00 20.93 H ATOM 797 HG SER A 45 -15.198 -2.892 -23.600 1.00 27.86 H ATOM 798 N ASP A 46 -15.118 -4.581 -28.270 1.00 14.92 N ANISOU 798 N ASP A 46 1839 1989 1843 -51 -224 -455 N ATOM 799 CA ASP A 46 -15.942 -4.699 -29.471 1.00 13.92 C ANISOU 799 CA ASP A 46 1748 1796 1746 53 -79 -411 C ATOM 800 C ASP A 46 -17.261 -3.973 -29.271 1.00 15.62 C ANISOU 800 C ASP A 46 1894 2287 1753 51 -126 -390 C ATOM 801 O ASP A 46 -17.866 -3.491 -30.236 1.00 15.49 O ANISOU 801 O ASP A 46 1900 2250 1735 121 -294 -344 O ATOM 802 CB ASP A 46 -16.247 -6.164 -29.774 1.00 14.65 C ANISOU 802 CB ASP A 46 1976 1824 1768 -226 113 -371 C ATOM 803 CG ASP A 46 -15.022 -6.945 -30.159 1.00 14.53 C ANISOU 803 CG ASP A 46 2010 1708 1803 -156 227 -227 C ATOM 804 OD1 ASP A 46 -14.172 -6.400 -30.895 1.00 14.78 O ANISOU 804 OD1 ASP A 46 1761 2008 1846 -266 394 -356 O ATOM 805 OD2 ASP A 46 -14.912 -8.114 -29.730 1.00 15.84 O ANISOU 805 OD2 ASP A 46 2426 1743 1849 0 208 -50 O ATOM 806 OXT ASP A 46 -17.746 -3.878 -28.140 1.00 16.65 O ANISOU 806 OXT ASP A 46 2020 2511 1796 275 -103 -462 O ATOM 807 H ASP A 46 -14.974 -5.329 -27.870 1.00 17.91 H ATOM 808 HA ASP A 46 -15.475 -4.306 -30.237 1.00 16.71 H ATOM 809 HB2 ASP A 46 -16.629 -6.576 -28.984 1.00 17.59 H ATOM 810 HB3 ASP A 46 -16.876 -6.210 -30.510 1.00 17.59 H TER 811 ASP A 46 ATOM 812 N SER B 0 -8.211 16.792 -28.083 1.00 25.88 N ANISOU 812 N SER B 0 4260 3108 2464 947 184 369 N ATOM 813 CA SER B 0 -7.169 15.903 -28.669 1.00 25.32 C ANISOU 813 CA SER B 0 4099 3091 2431 1000 38 472 C ATOM 814 C SER B 0 -6.953 14.687 -27.776 1.00 23.48 C ANISOU 814 C SER B 0 3826 2825 2272 880 -30 510 C ATOM 815 O SER B 0 -7.124 14.761 -26.551 1.00 24.46 O ANISOU 815 O SER B 0 3876 3150 2268 668 -62 469 O ATOM 816 CB SER B 0 -5.856 16.667 -28.827 1.00 27.16 C ANISOU 816 CB SER B 0 4453 3337 2528 1043 4 483 C ATOM 817 OG SER B 0 -6.068 17.916 -29.459 1.00 29.00 O ANISOU 817 OG SER B 0 4706 3717 2597 907 -22 463 O ATOM 818 HA SER B 0 -7.459 15.594 -29.553 1.00 30.39 H ATOM 819 HB2 SER B 0 -5.472 16.819 -27.949 1.00 32.59 H ATOM 820 HB3 SER B 0 -5.247 16.139 -29.367 1.00 32.59 H ATOM 821 HG SER B 0 -5.356 18.316 -29.538 1.00 34.80 H ATOM 822 N GLY B 1 -6.580 13.562 -28.380 1.00 20.78 N ANISOU 822 N GLY B 1 3380 2397 2118 570 -36 591 N ATOM 823 CA GLY B 1 -6.301 12.370 -27.609 1.00 18.06 C ANISOU 823 CA GLY B 1 2924 1938 2000 256 50 668 C ATOM 824 C GLY B 1 -5.036 12.518 -26.794 1.00 14.63 C ANISOU 824 C GLY B 1 2242 1395 1922 93 161 562 C ATOM 825 O GLY B 1 -4.026 13.031 -27.267 1.00 17.09 O ANISOU 825 O GLY B 1 2521 1988 1982 -76 310 698 O ATOM 826 H GLY B 1 -6.483 13.469 -29.230 1.00 24.94 H ATOM 827 HA2 GLY B 1 -7.039 12.192 -27.006 1.00 21.67 H ATOM 828 HA3 GLY B 1 -6.198 11.613 -28.206 1.00 21.67 H ATOM 829 N ASER B 2 -5.095 12.047 -25.550 0.36 12.80 N ANISOU 829 N ASER B 2 1827 1180 1856 71 157 496 N ATOM 830 N BSER B 2 -5.117 12.067 -25.555 0.52 13.08 N ANISOU 830 N BSER B 2 1825 1255 1889 65 168 539 N ATOM 831 N CSER B 2 -5.075 12.081 -25.544 0.12 13.15 N ANISOU 831 N CSER B 2 2033 1092 1872 8 125 511 N ATOM 832 CA ASER B 2 -3.940 12.046 -24.655 0.36 10.47 C ANISOU 832 CA ASER B 2 1304 869 1806 -77 162 303 C ATOM 833 CA BSER B 2 -3.962 12.005 -24.692 0.52 10.76 C ANISOU 833 CA BSER B 2 1276 940 1873 -59 193 348 C ATOM 834 CA CSER B 2 -3.887 12.155 -24.707 0.12 11.44 C ANISOU 834 CA CSER B 2 1774 744 1829 -109 90 422 C ATOM 835 C ASER B 2 -3.035 10.856 -24.984 0.36 10.50 C ANISOU 835 C ASER B 2 1518 722 1751 20 176 339 C ATOM 836 C BSER B 2 -3.087 10.851 -25.180 0.52 10.82 C ANISOU 836 C BSER B 2 1435 839 1836 36 257 448 C ATOM 837 C CSER B 2 -3.028 10.917 -24.939 0.12 10.97 C ANISOU 837 C CSER B 2 1706 694 1766 5 168 435 C ATOM 838 O ASER B 2 -3.441 9.704 -24.819 0.36 10.09 O ANISOU 838 O ASER B 2 1673 510 1650 -30 114 263 O ATOM 839 O BSER B 2 -3.573 9.728 -25.353 0.52 11.40 O ANISOU 839 O BSER B 2 1562 883 1887 -88 318 404 O ATOM 840 O CSER B 2 -3.467 9.796 -24.678 0.12 11.12 O ANISOU 840 O CSER B 2 1814 662 1748 -11 162 432 O ATOM 841 CB ASER B 2 -4.388 11.924 -23.192 0.36 10.84 C ANISOU 841 CB ASER B 2 1187 1154 1776 92 234 67 C ATOM 842 CB BSER B 2 -4.418 11.758 -23.255 0.52 11.85 C ANISOU 842 CB BSER B 2 1437 1220 1844 297 249 34 C ATOM 843 CB CSER B 2 -4.273 12.265 -23.236 0.12 10.89 C ANISOU 843 CB CSER B 2 1701 623 1813 -249 -2 336 C ATOM 844 OG ASER B 2 -5.245 12.980 -22.789 0.36 10.83 O ANISOU 844 OG ASER B 2 1196 1171 1746 -18 269 -11 O ATOM 845 OG BSER B 2 -3.325 11.439 -22.423 0.52 11.93 O ANISOU 845 OG BSER B 2 1828 877 1827 309 192 -71 O ATOM 846 OG CSER B 2 -4.994 11.122 -22.825 0.12 10.79 O ANISOU 846 OG CSER B 2 1661 668 1770 -362 -72 303 O ATOM 847 H ASER B 2 -5.805 11.716 -25.195 0.36 15.36 H ATOM 848 H BSER B 2 -5.842 11.787 -25.188 0.52 15.69 H ATOM 849 H CSER B 2 -5.766 11.742 -25.161 0.12 15.78 H ATOM 850 HA ASER B 2 -3.429 12.875 -24.765 0.36 12.57 H ATOM 851 HA BSER B 2 -3.455 12.842 -24.736 0.52 12.91 H ATOM 852 HA CSER B 2 -3.364 12.947 -24.951 0.12 13.73 H ATOM 853 HB2ASER B 2 -4.861 11.084 -23.082 0.36 13.00 H ATOM 854 HB2BSER B 2 -4.847 12.561 -22.919 0.52 14.22 H ATOM 855 HB2CSER B 2 -3.467 12.340 -22.702 0.12 13.06 H ATOM 856 HB3ASER B 2 -3.601 11.931 -22.625 0.36 13.00 H ATOM 857 HB3BSER B 2 -5.047 11.019 -23.247 0.52 14.22 H ATOM 858 HB3CSER B 2 -4.829 13.051 -23.112 0.12 13.06 H ATOM 859 HG ASER B 2 -5.462 12.881 -22.004 0.36 12.99 H ATOM 860 HG BSER B 2 -3.585 11.310 -21.656 0.52 14.31 H ATOM 861 HG CSER B 2 -5.076 10.601 -23.454 0.12 12.95 H ATOM 862 N PRO B 3 -1.796 11.108 -25.435 1.00 10.39 N ANISOU 862 N PRO B 3 1543 694 1712 54 262 461 N ATOM 863 CA PRO B 3 -0.964 9.930 -25.702 1.00 10.57 C ANISOU 863 CA PRO B 3 1698 786 1532 -14 442 448 C ATOM 864 C PRO B 3 -0.802 9.096 -24.424 1.00 9.68 C ANISOU 864 C PRO B 3 1703 580 1396 -102 357 231 C ATOM 865 O PRO B 3 -0.655 7.879 -24.502 1.00 9.79 O ANISOU 865 O PRO B 3 1806 621 1292 158 562 225 O ATOM 866 CB PRO B 3 0.360 10.526 -26.205 1.00 10.80 C ANISOU 866 CB PRO B 3 1889 733 1483 236 311 262 C ATOM 867 CG PRO B 3 0.349 11.950 -25.721 1.00 9.96 C ANISOU 867 CG PRO B 3 1597 727 1459 31 160 272 C ATOM 868 CD PRO B 3 -1.097 12.374 -25.710 1.00 10.83 C ANISOU 868 CD PRO B 3 1823 701 1589 -177 126 448 C ATOM 869 HA PRO B 3 -1.364 9.378 -26.406 1.00 12.68 H ATOM 870 HB2 PRO B 3 1.106 10.039 -25.822 1.00 12.96 H ATOM 871 HB3 PRO B 3 0.388 10.493 -27.174 1.00 12.96 H ATOM 872 HG2 PRO B 3 0.723 11.992 -24.827 1.00 11.95 H ATOM 873 HG3 PRO B 3 0.861 12.504 -26.331 1.00 11.95 H ATOM 874 HD2 PRO B 3 -1.259 13.014 -24.999 1.00 12.99 H ATOM 875 HD3 PRO B 3 -1.356 12.725 -26.576 1.00 12.99 H ATOM 876 N LEU B 4 -0.876 9.728 -23.255 1.00 8.94 N ANISOU 876 N LEU B 4 1507 525 1364 -42 286 192 N ATOM 877 CA LEU B 4 -0.789 8.993 -22.000 1.00 8.91 C ANISOU 877 CA LEU B 4 1418 691 1278 -96 158 81 C ATOM 878 C LEU B 4 -1.969 8.031 -21.854 1.00 7.92 C ANISOU 878 C LEU B 4 1224 592 1195 126 270 25 C ATOM 879 O LEU B 4 -1.801 6.906 -21.381 1.00 8.62 O ANISOU 879 O LEU B 4 1405 570 1299 216 173 166 O ATOM 880 CB LEU B 4 -0.711 9.975 -20.825 1.00 9.44 C ANISOU 880 CB LEU B 4 1405 912 1268 -63 2 155 C ATOM 881 CG LEU B 4 -0.636 9.372 -19.422 1.00 10.47 C ANISOU 881 CG LEU B 4 1557 1116 1305 97 97 184 C ATOM 882 CD1 LEU B 4 0.498 8.368 -19.314 1.00 12.43 C ANISOU 882 CD1 LEU B 4 1968 1387 1369 156 136 257 C ATOM 883 CD2 LEU B 4 -0.452 10.494 -18.384 1.00 12.21 C ANISOU 883 CD2 LEU B 4 1838 1468 1332 76 50 107 C ATOM 884 H LEU B 4 -0.977 10.577 -23.163 1.00 10.73 H ATOM 885 HA LEU B 4 0.034 8.460 -22.001 1.00 10.70 H ATOM 886 HB2 LEU B 4 0.080 10.524 -20.942 1.00 11.32 H ATOM 887 HB3 LEU B 4 -1.499 10.540 -20.851 1.00 11.32 H ATOM 888 HG LEU B 4 -1.468 8.912 -19.228 1.00 12.57 H ATOM 889 HD11 LEU B 4 0.514 8.011 -18.423 1.00 14.92 H ATOM 890 HD12 LEU B 4 0.351 7.661 -19.947 1.00 14.92 H ATOM 891 HD13 LEU B 4 1.327 8.812 -19.505 1.00 14.92 H ATOM 892 HD21 LEU B 4 -0.407 10.104 -17.508 1.00 14.65 H ATOM 893 HD22 LEU B 4 0.361 10.966 -18.575 1.00 14.65 H ATOM 894 HD23 LEU B 4 -1.200 11.094 -18.437 1.00 14.65 H ATOM 895 N ALA B 5 -3.167 8.454 -22.257 1.00 8.07 N ANISOU 895 N ALA B 5 1419 572 1075 123 297 133 N ATOM 896 CA ALA B 5 -4.309 7.533 -22.214 1.00 7.97 C ANISOU 896 CA ALA B 5 1302 732 995 137 224 189 C ATOM 897 C ALA B 5 -4.068 6.322 -23.117 1.00 7.27 C ANISOU 897 C ALA B 5 1221 682 858 249 24 300 C ATOM 898 O ALA B 5 -4.415 5.191 -22.765 1.00 7.14 O ANISOU 898 O ALA B 5 1213 667 832 133 91 180 O ATOM 899 CB ALA B 5 -5.619 8.227 -22.589 1.00 8.62 C ANISOU 899 CB ALA B 5 1381 785 1111 163 261 85 C ATOM 900 H ALA B 5 -3.345 9.242 -22.551 1.00 9.68 H ATOM 901 HA ALA B 5 -4.405 7.201 -21.297 1.00 9.56 H ATOM 902 HB1 ALA B 5 -6.334 7.588 -22.547 1.00 10.35 H ATOM 903 HB2 ALA B 5 -5.782 8.942 -21.970 1.00 10.35 H ATOM 904 HB3 ALA B 5 -5.543 8.575 -23.480 1.00 10.35 H ATOM 905 N GLN B 6 -3.489 6.546 -24.293 1.00 7.35 N ANISOU 905 N GLN B 6 1306 651 836 275 108 288 N ATOM 906 CA GLN B 6 -3.202 5.409 -25.177 1.00 7.85 C ANISOU 906 CA GLN B 6 1512 716 753 165 248 317 C ATOM 907 C GLN B 6 -2.116 4.522 -24.570 1.00 6.81 C ANISOU 907 C GLN B 6 1245 625 716 7 246 276 C ATOM 908 O GLN B 6 -2.181 3.296 -24.699 1.00 7.71 O ANISOU 908 O GLN B 6 1595 608 726 101 156 247 O ATOM 909 CB GLN B 6 -2.804 5.859 -26.583 1.00 8.45 C ANISOU 909 CB GLN B 6 1578 892 740 334 215 350 C ATOM 910 CG GLN B 6 -2.767 4.683 -27.587 1.00 9.68 C ANISOU 910 CG GLN B 6 1788 1139 750 312 107 342 C ATOM 911 CD GLN B 6 -4.114 4.015 -27.736 1.00 10.86 C ANISOU 911 CD GLN B 6 1958 1197 972 343 -211 357 C ATOM 912 OE1 GLN B 6 -5.134 4.698 -27.831 1.00 11.87 O ANISOU 912 OE1 GLN B 6 2081 1252 1177 292 -274 320 O ATOM 913 NE2 GLN B 6 -4.142 2.679 -27.753 1.00 12.23 N ANISOU 913 NE2 GLN B 6 2098 1466 1083 160 -278 183 N ATOM 914 H GLN B 6 -3.258 7.316 -24.598 1.00 8.82 H ATOM 915 HA GLN B 6 -4.014 4.867 -25.260 1.00 9.41 H ATOM 916 HB2 GLN B 6 -3.449 6.508 -26.903 1.00 10.14 H ATOM 917 HB3 GLN B 6 -1.920 6.256 -26.550 1.00 10.14 H ATOM 918 HG2 GLN B 6 -2.498 5.017 -28.457 1.00 11.61 H ATOM 919 HG3 GLN B 6 -2.133 4.018 -27.275 1.00 11.61 H ATOM 920 HE21 GLN B 6 -3.410 2.233 -27.681 1.00 14.68 H ATOM 921 HE22 GLN B 6 -4.892 2.266 -27.836 1.00 14.68 H ATOM 922 N GLN B 7 -1.141 5.132 -23.902 1.00 6.82 N ANISOU 922 N GLN B 7 1159 538 894 117 238 281 N ATOM 923 CA GLN B 7 -0.089 4.368 -23.240 1.00 7.43 C ANISOU 923 CA GLN B 7 1063 681 1078 106 215 311 C ATOM 924 C GLN B 7 -0.676 3.480 -22.139 1.00 6.13 C ANISOU 924 C GLN B 7 973 490 865 79 136 221 C ATOM 925 O GLN B 7 -0.269 2.336 -21.980 1.00 6.79 O ANISOU 925 O GLN B 7 1201 557 821 109 127 151 O ATOM 926 CB GLN B 7 0.971 5.314 -22.668 1.00 9.58 C ANISOU 926 CB GLN B 7 1316 902 1422 -9 278 567 C ATOM 927 CG GLN B 7 2.271 4.623 -22.276 1.00 11.44 C ANISOU 927 CG GLN B 7 1184 1480 1684 107 141 765 C ATOM 928 CD GLN B 7 3.296 5.573 -21.683 1.00 13.66 C ANISOU 928 CD GLN B 7 1281 1975 1934 -89 48 881 C ATOM 929 OE1 GLN B 7 3.136 6.792 -21.743 1.00 15.99 O ANISOU 929 OE1 GLN B 7 1882 2070 2123 -322 -106 740 O ATOM 930 NE2 GLN B 7 4.360 5.021 -21.116 1.00 15.29 N ANISOU 930 NE2 GLN B 7 1402 2425 1984 -188 -48 958 N ATOM 931 H GLN B 7 -1.066 5.985 -23.817 1.00 8.18 H ATOM 932 HA GLN B 7 0.347 3.787 -23.898 1.00 8.91 H ATOM 933 HB2 GLN B 7 1.182 5.986 -23.335 1.00 11.50 H ATOM 934 HB3 GLN B 7 0.612 5.741 -21.874 1.00 11.50 H ATOM 935 HG2 GLN B 7 2.078 3.941 -21.614 1.00 13.73 H ATOM 936 HG3 GLN B 7 2.662 4.216 -23.065 1.00 13.73 H ATOM 937 HE21 GLN B 7 4.443 4.165 -21.098 1.00 18.35 H ATOM 938 HE22 GLN B 7 4.968 5.519 -20.767 1.00 18.35 H ATOM 939 N ILE B 8 -1.652 4.009 -21.408 1.00 5.98 N ANISOU 939 N ILE B 8 1110 428 734 36 81 126 N ATOM 940 CA ILE B 8 -2.360 3.234 -20.397 1.00 5.76 C ANISOU 940 CA ILE B 8 1021 558 610 75 15 -1 C ATOM 941 C ILE B 8 -3.130 2.077 -21.022 1.00 5.57 C ANISOU 941 C ILE B 8 1010 577 531 162 54 51 C ATOM 942 O ILE B 8 -3.042 0.945 -20.567 1.00 5.97 O ANISOU 942 O ILE B 8 1122 570 576 75 -9 153 O ATOM 943 CB ILE B 8 -3.285 4.159 -19.572 1.00 6.35 C ATOM 944 CG1 ILE B 8 -2.454 5.072 -18.663 1.00 7.41 C ATOM 945 CG2 ILE B 8 -4.272 3.353 -18.757 1.00 7.64 C ATOM 946 CD1 ILE B 8 -3.206 6.216 -18.038 1.00 8.62 C ATOM 947 H ILE B 8 -1.924 4.822 -21.480 1.00 7.17 H ATOM 948 HA ILE B 8 -1.702 2.850 -19.781 1.00 6.91 H ATOM 949 HB ILE B 8 -3.785 4.717 -20.189 1.00 7.61 H ATOM 950 HG12 ILE B 8 -2.088 4.536 -17.942 1.00 8.89 H ATOM 951 HG13 ILE B 8 -1.730 5.450 -19.186 1.00 8.89 H ATOM 952 HG21 ILE B 8 -4.830 3.954 -18.259 1.00 9.16 H ATOM 953 HG22 ILE B 8 -4.809 2.824 -19.352 1.00 9.16 H ATOM 954 HG23 ILE B 8 -3.788 2.781 -18.157 1.00 9.16 H ATOM 955 HD11 ILE B 8 -2.602 6.724 -17.491 1.00 10.34 H ATOM 956 HD12 ILE B 8 -3.564 6.771 -18.734 1.00 10.34 H ATOM 957 HD13 ILE B 8 -3.919 5.864 -17.500 1.00 10.34 H ATOM 958 N LYS B 9 -3.886 2.353 -22.071 1.00 5.80 N ANISOU 958 N LYS B 9 1044 579 583 162 -29 55 N ATOM 959 CA LYS B 9 -4.606 1.292 -22.747 1.00 6.40 C ANISOU 959 CA LYS B 9 1232 540 658 5 -127 20 C ATOM 960 C LYS B 9 -3.640 0.224 -23.244 1.00 6.25 C ANISOU 960 C LYS B 9 1289 509 576 28 -160 57 C ATOM 961 O LYS B 9 -3.906 -0.972 -23.109 1.00 6.36 O ANISOU 961 O LYS B 9 1201 527 690 53 -95 -2 O ATOM 962 CB LYS B 9 -5.411 1.868 -23.920 1.00 7.48 C ANISOU 962 CB LYS B 9 1337 628 877 98 -171 102 C ATOM 963 CG LYS B 9 -6.554 2.737 -23.456 1.00 8.36 C ANISOU 963 CG LYS B 9 1263 802 1110 128 -138 151 C ATOM 964 CD LYS B 9 -7.207 3.530 -24.566 1.00 10.75 C ANISOU 964 CD LYS B 9 1546 1221 1319 250 -60 257 C ATOM 965 CE LYS B 9 -8.192 4.533 -23.977 1.00 12.07 C ANISOU 965 CE LYS B 9 1594 1496 1497 344 -36 347 C ATOM 966 NZ LYS B 9 -8.842 5.378 -25.017 1.00 13.35 N ANISOU 966 NZ LYS B 9 1778 1682 1611 431 -24 302 N ATOM 967 H LYS B 9 -3.998 3.136 -22.407 1.00 6.96 H ATOM 968 HA LYS B 9 -5.231 0.874 -22.120 1.00 7.68 H ATOM 969 HB2 LYS B 9 -4.826 2.409 -24.473 1.00 8.98 H ATOM 970 HB3 LYS B 9 -5.780 1.137 -24.441 1.00 8.98 H ATOM 971 HG2 LYS B 9 -7.234 2.172 -23.055 1.00 10.03 H ATOM 972 HG3 LYS B 9 -6.221 3.367 -22.798 1.00 10.03 H ATOM 973 HD2 LYS B 9 -6.529 4.017 -25.060 1.00 12.90 H ATOM 974 HD3 LYS B 9 -7.691 2.929 -25.154 1.00 12.90 H ATOM 975 HE2 LYS B 9 -8.888 4.051 -23.503 1.00 14.49 H ATOM 976 HE3 LYS B 9 -7.719 5.119 -23.366 1.00 14.49 H ATOM 977 HZ1 LYS B 9 -9.290 4.864 -25.590 1.00 16.01 H ATOM 978 HZ2 LYS B 9 -9.408 5.948 -24.636 1.00 16.01 H ATOM 979 HZ3 LYS B 9 -8.225 5.838 -25.464 1.00 16.01 H ATOM 980 N ASN B 10 -2.511 0.648 -23.805 1.00 5.84 N ANISOU 980 N ASN B 10 1170 516 532 57 -55 49 N ATOM 981 CA ASN B 10 -1.541 -0.291 -24.347 1.00 5.90 C ANISOU 981 CA ASN B 10 1253 420 566 166 -61 45 C ATOM 982 C ASN B 10 -0.904 -1.147 -23.265 1.00 5.92 C ANISOU 982 C ASN B 10 1146 540 565 83 80 -68 C ATOM 983 O ASN B 10 -0.781 -2.349 -23.444 1.00 6.27 O ANISOU 983 O ASN B 10 1273 441 667 73 27 -44 O ATOM 984 CB ASN B 10 -0.451 0.442 -25.122 1.00 5.93 C ANISOU 984 CB ASN B 10 1177 497 579 13 -6 77 C ATOM 985 CG ASN B 10 -0.891 0.880 -26.496 1.00 6.69 C ANISOU 985 CG ASN B 10 1304 667 571 52 -52 71 C ATOM 986 OD1 ASN B 10 -2.048 0.732 -26.891 1.00 7.60 O ANISOU 986 OD1 ASN B 10 1394 949 546 74 -59 22 O ATOM 987 ND2 ASN B 10 0.051 1.406 -27.249 1.00 9.05 N ANISOU 987 ND2 ASN B 10 1552 1177 707 -294 97 328 N ATOM 988 H ASN B 10 -2.285 1.474 -23.884 1.00 7.00 H ATOM 989 HA ASN B 10 -1.999 -0.892 -24.971 1.00 7.07 H ATOM 990 HB2 ASN B 10 -0.191 1.233 -24.625 1.00 7.12 H ATOM 991 HB3 ASN B 10 0.311 -0.149 -25.226 1.00 7.12 H ATOM 992 HD21 ASN B 10 0.853 1.480 -26.946 1.00 10.86 H ATOM 993 HD22 ASN B 10 -0.134 1.676 -28.044 1.00 10.86 H ATOM 994 N ILE B 11 -0.499 -0.558 -22.145 1.00 5.70 N ANISOU 994 N ILE B 11 1174 436 556 22 44 31 N ATOM 995 CA AILE B 11 0.130 -1.369 -21.124 0.64 5.47 C ANISOU 995 CA AILE B 11 1012 464 603 -4 -148 122 C ATOM 996 CA BILE B 11 0.110 -1.314 -21.043 0.36 6.10 C ANISOU 996 CA BILE B 11 1181 575 561 75 -19 73 C ATOM 997 C ILE B 11 -0.892 -2.277 -20.448 1.00 5.58 C ANISOU 997 C ILE B 11 1066 484 569 72 -122 65 C ATOM 998 O ILE B 11 -0.570 -3.411 -20.107 1.00 6.15 O ANISOU 998 O ILE B 11 1245 513 578 61 -111 118 O ATOM 999 CB AILE B 11 0.942 -0.516 -20.153 0.64 5.45 C ANISOU 999 CB AILE B 11 951 427 693 90 -163 4 C ATOM 1000 CB BILE B 11 0.639 -0.388 -19.928 0.36 7.51 C ANISOU 1000 CB BILE B 11 1513 751 588 109 -9 29 C ATOM 1001 CG1AILE B 11 1.991 -1.389 -19.476 0.64 6.99 C ANISOU 1001 CG1AILE B 11 937 992 727 -102 -124 -12 C ATOM 1002 CG1BILE B 11 1.892 0.340 -20.412 0.36 9.56 C ANISOU 1002 CG1BILE B 11 2034 985 615 102 4 65 C ATOM 1003 CG2AILE B 11 0.050 0.185 -19.173 0.64 6.01 C ANISOU 1003 CG2AILE B 11 964 661 659 5 -248 17 C ATOM 1004 CG2BILE B 11 0.959 -1.180 -18.660 0.36 7.59 C ANISOU 1004 CG2BILE B 11 1457 857 570 62 -32 -153 C ATOM 1005 CD1AILE B 11 2.890 -0.620 -18.545 0.64 8.30 C ANISOU 1005 CD1AILE B 11 1139 1208 804 63 -118 -114 C ATOM 1006 CD1BILE B 11 2.725 0.887 -19.302 0.36 12.57 C ANISOU 1006 CD1BILE B 11 2574 1533 669 127 105 -92 C ATOM 1007 H AILE B 11 -0.574 0.279 -21.960 0.64 6.20 H ATOM 1008 H BILE B 11 -0.564 0.286 -21.993 0.36 6.48 H ATOM 1009 HA AILE B 11 0.770 -1.960 -21.572 0.64 6.56 H ATOM 1010 HA BILE B 11 0.864 -1.835 -21.390 0.36 7.32 H ATOM 1011 HB AILE B 11 1.407 0.161 -20.668 0.64 6.54 H ATOM 1012 HB BILE B 11 -0.042 0.270 -19.720 0.36 9.01 H ATOM 1013 HG12AILE B 11 1.542 -2.076 -18.958 0.64 8.39 H ATOM 1014 HG12BILE B 11 2.439 -0.280 -20.918 0.36 11.48 H ATOM 1015 HG13AILE B 11 2.547 -1.799 -20.157 0.64 8.39 H ATOM 1016 HG13BILE B 11 1.625 1.082 -20.978 0.36 11.48 H ATOM 1017 HG21AILE B 11 0.590 0.711 -18.579 0.64 7.21 H ATOM 1018 HG21BILE B 11 1.284 -0.576 -17.989 0.36 9.11 H ATOM 1019 HG22AILE B 11 -0.556 0.753 -19.654 0.64 7.21 H ATOM 1020 HG22BILE B 11 0.158 -1.612 -18.352 0.36 9.11 H ATOM 1021 HG23AILE B 11 -0.443 -0.471 -18.674 0.64 7.21 H ATOM 1022 HG23BILE B 11 1.628 -1.837 -18.863 0.36 9.11 H ATOM 1023 HD11AILE B 11 3.524 -1.225 -18.154 0.64 9.95 H ATOM 1024 HD11BILE B 11 3.491 1.329 -19.675 0.36 15.09 H ATOM 1025 HD12AILE B 11 3.349 0.058 -19.045 0.64 9.95 H ATOM 1026 HD12BILE B 11 2.200 1.512 -18.796 0.36 15.09 H ATOM 1027 HD13AILE B 11 2.355 -0.216 -17.858 0.64 9.95 H ATOM 1028 HD13BILE B 11 3.007 0.163 -18.738 0.36 15.09 H ATOM 1029 N HIS B 12 -2.129 -1.819 -20.315 1.00 5.80 N ANISOU 1029 N HIS B 12 1119 547 539 -51 21 55 N ATOM 1030 CA HIS B 12 -3.170 -2.679 -19.805 1.00 6.37 C ANISOU 1030 CA HIS B 12 1134 673 613 90 52 22 C ATOM 1031 C HIS B 12 -3.383 -3.899 -20.734 1.00 5.94 C ANISOU 1031 C HIS B 12 1123 533 600 -26 -5 71 C ATOM 1032 O HIS B 12 -3.472 -5.034 -20.277 1.00 6.80 O ANISOU 1032 O HIS B 12 1377 557 650 -30 41 150 O ATOM 1033 CB HIS B 12 -4.460 -1.880 -19.618 1.00 7.29 C ANISOU 1033 CB HIS B 12 1303 687 780 103 67 -69 C ATOM 1034 CG HIS B 12 -5.598 -2.733 -19.184 1.00 6.99 C ANISOU 1034 CG HIS B 12 1191 612 853 138 139 76 C ATOM 1035 ND1 HIS B 12 -6.605 -3.105 -20.043 1.00 9.59 N ANISOU 1035 ND1 HIS B 12 1315 1350 980 -29 6 337 N ATOM 1036 CD2 HIS B 12 -5.833 -3.388 -18.021 1.00 8.13 C ANISOU 1036 CD2 HIS B 12 1234 987 868 -177 131 58 C ATOM 1037 CE1 HIS B 12 -7.440 -3.916 -19.412 1.00 9.64 C ANISOU 1037 CE1 HIS B 12 1174 1434 1056 -69 0 317 C ATOM 1038 NE2 HIS B 12 -7.000 -4.097 -18.180 1.00 8.53 N ANISOU 1038 NE2 HIS B 12 1209 1064 967 187 193 35 N ATOM 1039 H HIS B 12 -2.385 -1.022 -20.512 1.00 6.97 H ATOM 1040 HA HIS B 12 -2.897 -3.017 -18.926 1.00 7.64 H ATOM 1041 HB2 HIS B 12 -4.317 -1.201 -18.939 1.00 8.75 H ATOM 1042 HB3 HIS B 12 -4.700 -1.463 -20.460 1.00 8.75 H ATOM 1043 HD1 HIS B 12 -6.686 -2.843 -20.858 1.00 11.51 H ATOM 1044 HD2 HIS B 12 -5.317 -3.342 -17.249 1.00 9.76 H ATOM 1045 HE1 HIS B 12 -8.216 -4.282 -19.770 1.00 11.57 H ATOM 1046 N SER B 13 -3.420 -3.654 -22.034 1.00 5.91 N ANISOU 1046 N SER B 13 1128 517 600 10 -32 139 N ATOM 1047 CA ASER B 13 -3.506 -4.733 -23.014 0.19 6.24 C ANISOU 1047 CA ASER B 13 1168 600 602 55 -115 33 C ATOM 1048 CA BSER B 13 -3.527 -4.747 -22.983 0.81 6.32 C ANISOU 1048 CA BSER B 13 1080 675 646 -60 -123 31 C ATOM 1049 C SER B 13 -2.306 -5.659 -22.884 1.00 6.41 C ANISOU 1049 C SER B 13 1209 545 680 -12 -101 -5 C ATOM 1050 O SER B 13 -2.434 -6.886 -22.925 1.00 7.32 O ANISOU 1050 O SER B 13 1356 605 820 -9 -175 -53 O ATOM 1051 CB ASER B 13 -3.540 -4.165 -24.435 0.19 6.55 C ANISOU 1051 CB ASER B 13 1281 679 531 219 -201 -24 C ATOM 1052 CB BSER B 13 -3.672 -4.195 -24.400 0.81 7.43 C ANISOU 1052 CB BSER B 13 1396 742 687 -108 -156 -66 C ATOM 1053 OG ASER B 13 -4.750 -3.483 -24.698 0.19 6.74 O ANISOU 1053 OG ASER B 13 1394 676 490 407 -264 -105 O ATOM 1054 OG BSER B 13 -3.685 -5.253 -25.335 0.81 9.69 O ANISOU 1054 OG BSER B 13 1883 1022 776 104 -173 -109 O ATOM 1055 H ASER B 13 -3.398 -2.867 -22.381 0.19 6.90 H ATOM 1056 H BSER B 13 -3.386 -2.872 -22.390 0.81 6.28 H ATOM 1057 HA ASER B 13 -4.323 -5.253 -22.863 0.19 7.48 H ATOM 1058 HA BSER B 13 -4.325 -5.278 -22.776 0.81 7.58 H ATOM 1059 HB2ASER B 13 -2.802 -3.544 -24.542 0.19 7.86 H ATOM 1060 HB2BSER B 13 -4.506 -3.702 -24.465 0.81 8.92 H ATOM 1061 HB3ASER B 13 -3.449 -4.895 -25.066 0.19 7.86 H ATOM 1062 HB3BSER B 13 -2.923 -3.610 -24.591 0.81 8.92 H ATOM 1063 HG ASER B 13 -5.235 -3.507 -24.037 0.19 8.08 H ATOM 1064 HG BSER B 13 -3.612 -5.972 -24.947 0.81 11.63 H ATOM 1065 N PHE B 14 -1.126 -5.065 -22.764 1.00 6.14 N ANISOU 1065 N PHE B 14 1095 479 758 59 -204 59 N ATOM 1066 CA APHE B 14 0.112 -5.828 -22.674 0.47 7.09 C ANISOU 1066 CA APHE B 14 1323 519 849 67 -100 -10 C ATOM 1067 CA BPHE B 14 0.109 -5.824 -22.685 0.53 7.46 C ANISOU 1067 CA BPHE B 14 1420 539 873 50 -112 -76 C ATOM 1068 C PHE B 14 0.102 -6.741 -21.461 1.00 7.07 C ANISOU 1068 C PHE B 14 1332 460 894 19 -200 37 C ATOM 1069 O PHE B 14 0.501 -7.889 -21.544 1.00 7.87 O ANISOU 1069 O PHE B 14 1403 553 1034 209 -84 28 O ATOM 1070 CB APHE B 14 1.323 -4.891 -22.632 0.47 6.86 C ANISOU 1070 CB APHE B 14 1189 559 859 124 -40 -27 C ATOM 1071 CB BPHE B 14 1.275 -4.835 -22.678 0.53 7.84 C ANISOU 1071 CB BPHE B 14 1461 592 925 130 -97 -220 C ATOM 1072 CG APHE B 14 2.612 -5.534 -23.067 0.47 6.59 C ANISOU 1072 CG APHE B 14 1080 588 838 84 -41 39 C ATOM 1073 CG BPHE B 14 2.641 -5.456 -22.765 0.53 8.79 C ANISOU 1073 CG BPHE B 14 1699 693 948 -7 -153 -260 C ATOM 1074 CD1APHE B 14 3.198 -5.188 -24.276 0.47 7.53 C ANISOU 1074 CD1APHE B 14 1093 909 858 167 -73 83 C ATOM 1075 CD1BPHE B 14 3.751 -4.644 -22.640 0.53 10.62 C ANISOU 1075 CD1BPHE B 14 1896 1100 1040 -30 -51 -165 C ATOM 1076 CD2APHE B 14 3.239 -6.477 -22.280 0.47 7.18 C ANISOU 1076 CD2APHE B 14 1053 819 856 51 1 130 C ATOM 1077 CD2BPHE B 14 2.833 -6.811 -22.974 0.53 9.27 C ANISOU 1077 CD2BPHE B 14 1612 921 989 72 -301 -212 C ATOM 1078 CE1APHE B 14 4.377 -5.773 -24.688 0.47 8.55 C ANISOU 1078 CE1APHE B 14 1340 1003 906 -111 -20 72 C ATOM 1079 CE1BPHE B 14 5.018 -5.161 -22.704 0.53 10.89 C ANISOU 1079 CE1BPHE B 14 1690 1346 1101 -131 -20 -88 C ATOM 1080 CE2APHE B 14 4.421 -7.066 -22.693 0.47 7.32 C ANISOU 1080 CE2APHE B 14 1127 752 901 32 -148 108 C ATOM 1081 CE2BPHE B 14 4.112 -7.335 -23.051 0.53 10.00 C ANISOU 1081 CE2BPHE B 14 1650 1123 1025 -19 -283 -193 C ATOM 1082 CZ APHE B 14 4.988 -6.710 -23.889 0.47 7.57 C ANISOU 1082 CZ APHE B 14 1065 902 910 62 -124 -36 C ATOM 1083 CZ BPHE B 14 5.200 -6.511 -22.910 0.53 11.04 C ANISOU 1083 CZ BPHE B 14 1695 1401 1098 134 -60 -27 C ATOM 1084 H APHE B 14 -1.014 -4.213 -22.731 0.47 6.90 H ATOM 1085 H BPHE B 14 -1.015 -4.213 -22.725 0.53 6.84 H ATOM 1086 HA APHE B 14 0.196 -6.391 -23.473 0.47 8.50 H ATOM 1087 HA BPHE B 14 0.192 -6.385 -23.484 0.53 8.95 H ATOM 1088 HB2APHE B 14 1.155 -4.138 -23.220 0.47 8.24 H ATOM 1089 HB2BPHE B 14 1.177 -4.238 -23.436 0.53 9.41 H ATOM 1090 HB3APHE B 14 1.442 -4.577 -21.722 0.47 8.24 H ATOM 1091 HB3BPHE B 14 1.240 -4.323 -21.854 0.53 9.41 H ATOM 1092 HD1APHE B 14 2.788 -4.554 -24.819 0.47 9.04 H ATOM 1093 HD1BPHE B 14 3.636 -3.733 -22.496 0.53 12.74 H ATOM 1094 HD2APHE B 14 2.861 -6.723 -21.467 0.47 8.61 H ATOM 1095 HD2BPHE B 14 2.097 -7.372 -23.065 0.53 11.12 H ATOM 1096 HE1APHE B 14 4.760 -5.531 -25.501 0.47 10.26 H ATOM 1097 HE1BPHE B 14 5.755 -4.600 -22.616 0.53 13.07 H ATOM 1098 HE2APHE B 14 4.836 -7.699 -22.154 0.47 8.78 H ATOM 1099 HE2BPHE B 14 4.233 -8.247 -23.187 0.53 12.00 H ATOM 1100 HZ APHE B 14 5.784 -7.107 -24.162 0.47 9.09 H ATOM 1101 HZ BPHE B 14 6.060 -6.862 -22.961 0.53 13.24 H ATOM 1102 N ILE B 15 -0.360 -6.221 -20.328 1.00 7.09 N ANISOU 1102 N ILE B 15 1510 413 770 28 -251 53 N ATOM 1103 CA ILE B 15 -0.474 -7.025 -19.128 1.00 7.73 C ANISOU 1103 CA ILE B 15 1763 483 690 183 -206 -32 C ATOM 1104 C ILE B 15 -1.328 -8.270 -19.389 1.00 6.95 C ANISOU 1104 C ILE B 15 1508 435 698 212 -108 13 C ATOM 1105 O ILE B 15 -0.943 -9.383 -19.039 1.00 7.94 O ANISOU 1105 O ILE B 15 1714 512 790 279 64 -28 O ATOM 1106 CB ILE B 15 -1.044 -6.174 -17.994 1.00 10.51 C ANISOU 1106 CB ILE B 15 2515 725 752 343 -283 -64 C ATOM 1107 CG1 ILE B 15 0.034 -5.196 -17.496 1.00 11.07 C ANISOU 1107 CG1 ILE B 15 2519 800 889 220 -523 -141 C ATOM 1108 CG2 ILE B 15 -1.542 -7.056 -16.871 1.00 12.34 C ANISOU 1108 CG2 ILE B 15 3034 881 774 267 -2 -24 C ATOM 1109 CD1 ILE B 15 -0.483 -4.066 -16.648 1.00 12.03 C ANISOU 1109 CD1 ILE B 15 2793 890 888 182 -508 -103 C ATOM 1110 H ILE B 15 -0.613 -5.405 -20.232 1.00 8.50 H ATOM 1111 HA ILE B 15 0.420 -7.324 -18.859 1.00 9.27 H ATOM 1112 HB ILE B 15 -1.792 -5.661 -18.338 1.00 12.61 H ATOM 1113 HG12 ILE B 15 0.679 -5.690 -16.966 1.00 13.29 H ATOM 1114 HG13 ILE B 15 0.477 -4.806 -18.266 1.00 13.29 H ATOM 1115 HG21 ILE B 15 -1.895 -6.501 -16.171 1.00 14.81 H ATOM 1116 HG22 ILE B 15 -2.230 -7.634 -17.209 1.00 14.81 H ATOM 1117 HG23 ILE B 15 -0.809 -7.579 -16.537 1.00 14.81 H ATOM 1118 HD11 ILE B 15 0.254 -3.510 -16.385 1.00 14.44 H ATOM 1119 HD12 ILE B 15 -1.113 -3.554 -17.161 1.00 14.44 H ATOM 1120 HD13 ILE B 15 -0.913 -4.430 -15.871 1.00 14.44 H ATOM 1121 N HIS B 16 -2.493 -8.112 -19.997 1.00 6.95 N ANISOU 1121 N HIS B 16 1356 441 842 186 37 -60 N ATOM 1122 CA HIS B 16 -3.332 -9.277 -20.270 1.00 7.55 C ANISOU 1122 CA HIS B 16 1187 624 1057 199 208 -114 C ATOM 1123 C HIS B 16 -2.653 -10.235 -21.240 1.00 7.53 C ANISOU 1123 C HIS B 16 1174 558 1127 58 97 -109 C ATOM 1124 O HIS B 16 -2.747 -11.449 -21.089 1.00 8.84 O ANISOU 1124 O HIS B 16 1479 462 1418 83 156 -121 O ATOM 1125 CB HIS B 16 -4.706 -8.852 -20.780 1.00 8.27 C ANISOU 1125 CB HIS B 16 1191 774 1178 210 259 -86 C ATOM 1126 CG HIS B 16 -5.612 -8.365 -19.690 1.00 8.51 C ANISOU 1126 CG HIS B 16 1194 813 1227 168 235 -38 C ATOM 1127 ND1 HIS B 16 -6.414 -9.210 -18.954 1.00 10.81 N ANISOU 1127 ND1 HIS B 16 1928 816 1362 -76 393 -30 N ATOM 1128 CD2 HIS B 16 -5.819 -7.122 -19.191 1.00 7.96 C ANISOU 1128 CD2 HIS B 16 1096 726 1200 325 339 -143 C ATOM 1129 CE1 HIS B 16 -7.082 -8.510 -18.056 1.00 10.37 C ANISOU 1129 CE1 HIS B 16 1922 652 1364 103 470 -102 C ATOM 1130 NE2 HIS B 16 -6.740 -7.241 -18.180 1.00 8.92 N ANISOU 1130 NE2 HIS B 16 1328 767 1294 113 485 -17 N ATOM 1131 H HIS B 16 -2.819 -7.360 -20.259 1.00 8.33 H ATOM 1132 HA HIS B 16 -3.469 -9.761 -19.430 1.00 9.06 H ATOM 1133 HB2 HIS B 16 -4.596 -8.133 -21.421 1.00 9.93 H ATOM 1134 HB3 HIS B 16 -5.133 -9.613 -21.205 1.00 9.93 H ATOM 1135 HD1 HIS B 16 -6.471 -10.061 -19.063 1.00 12.97 H ATOM 1136 HD2 HIS B 16 -5.416 -6.336 -19.482 1.00 9.55 H ATOM 1137 HE1 HIS B 16 -7.694 -8.852 -17.444 1.00 12.44 H ATOM 1138 N GLN B 17 -1.931 -9.716 -22.214 1.00 6.71 N ANISOU 1138 N GLN B 17 1232 418 900 134 19 -164 N ATOM 1139 CA AGLN B 17 -1.213 -10.538 -23.200 0.55 7.06 C ANISOU 1139 CA AGLN B 17 1328 514 839 158 -166 -162 C ATOM 1140 CA BGLN B 17 -1.298 -10.628 -23.136 0.45 7.27 C ANISOU 1140 CA BGLN B 17 1343 596 824 229 -171 -174 C ATOM 1141 C GLN B 17 -0.076 -11.305 -22.529 1.00 6.44 C ANISOU 1141 C GLN B 17 1232 455 761 135 -41 -70 C ATOM 1142 O GLN B 17 0.167 -12.473 -22.801 1.00 7.55 O ANISOU 1142 O GLN B 17 1495 653 720 146 -130 -193 O ATOM 1143 CB AGLN B 17 -0.631 -9.668 -24.330 0.55 8.87 C ANISOU 1143 CB AGLN B 17 1747 754 870 312 -256 -140 C ATOM 1144 CB BGLN B 17 -1.016 -9.918 -24.434 0.45 7.85 C ANISOU 1144 CB BGLN B 17 1517 633 831 355 -253 -163 C ATOM 1145 CG AGLN B 17 -1.652 -9.063 -25.297 0.55 10.44 C ANISOU 1145 CG AGLN B 17 1853 1139 976 267 -286 -111 C ATOM 1146 CG BGLN B 17 -2.315 -9.450 -25.036 0.45 8.29 C ANISOU 1146 CG BGLN B 17 1791 509 849 221 -156 -57 C ATOM 1147 CD AGLN B 17 -2.406 -10.112 -26.097 0.55 11.39 C ANISOU 1147 CD AGLN B 17 1959 1301 1068 140 -371 -124 C ATOM 1148 CD BGLN B 17 -2.126 -8.936 -26.412 0.45 9.57 C ANISOU 1148 CD BGLN B 17 2194 560 883 -31 -7 -47 C ATOM 1149 OE1AGLN B 17 -1.839 -11.113 -26.521 0.55 11.73 O ANISOU 1149 OE1AGLN B 17 2093 1367 996 -134 -358 -278 O ATOM 1150 OE1BGLN B 17 -1.966 -9.706 -27.351 0.45 10.57 O ANISOU 1150 OE1BGLN B 17 2454 665 899 34 69 -116 O ATOM 1151 NE2AGLN B 17 -3.695 -9.881 -26.307 0.55 14.52 N ANISOU 1151 NE2AGLN B 17 2406 1865 1247 17 -297 -177 N ATOM 1152 NE2BGLN B 17 -2.104 -7.627 -26.551 0.45 9.70 N ANISOU 1152 NE2BGLN B 17 2206 567 913 -52 -9 60 N ATOM 1153 H AGLN B 17 -1.831 -8.871 -22.336 0.55 7.50 H ATOM 1154 H BGLN B 17 -1.796 -8.879 -22.358 0.45 7.60 H ATOM 1155 HA AGLN B 17 -1.833 -11.187 -23.596 0.55 8.47 H ATOM 1156 HA BGLN B 17 -1.940 -11.340 -23.339 0.45 8.73 H ATOM 1157 HB2AGLN B 17 -0.141 -8.933 -23.929 0.55 10.65 H ATOM 1158 HB2BGLN B 17 -0.454 -9.144 -24.268 0.45 9.42 H ATOM 1159 HB3AGLN B 17 -0.023 -10.213 -24.854 0.55 10.65 H ATOM 1160 HB3BGLN B 17 -0.587 -10.527 -25.054 0.45 9.42 H ATOM 1161 HG2AGLN B 17 -2.300 -8.550 -24.790 0.55 12.53 H ATOM 1162 HG2BGLN B 17 -2.937 -10.194 -25.072 0.45 9.95 H ATOM 1163 HG3AGLN B 17 -1.189 -8.485 -25.923 0.55 12.53 H ATOM 1164 HG3BGLN B 17 -2.681 -8.735 -24.492 0.45 9.95 H ATOM 1165 HE21AGLN B 17 -4.060 -9.167 -25.996 0.55 17.43 H ATOM 1166 HE21BGLN B 17 -2.197 -7.119 -25.863 0.45 11.64 H ATOM 1167 HE22AGLN B 17 -4.166 -10.444 -26.755 0.55 17.43 H ATOM 1168 HE22BGLN B 17 -1.997 -7.280 -27.331 0.45 11.64 H ATOM 1169 N ALA B 18 0.663 -10.615 -21.670 1.00 6.81 N ANISOU 1169 N ALA B 18 1292 504 792 116 -138 -63 N ATOM 1170 CA ALA B 18 1.756 -11.266 -20.961 1.00 8.16 C ANISOU 1170 CA ALA B 18 1511 638 952 297 -356 -81 C ATOM 1171 C ALA B 18 1.205 -12.354 -20.034 1.00 8.42 C ANISOU 1171 C ALA B 18 1708 596 895 357 -357 -58 C ATOM 1172 O ALA B 18 1.774 -13.443 -19.925 1.00 9.22 O ANISOU 1172 O ALA B 18 1940 669 896 406 -343 -39 O ATOM 1173 CB ALA B 18 2.559 -10.237 -20.179 1.00 10.16 C ANISOU 1173 CB ALA B 18 1678 1033 1150 209 -354 -34 C ATOM 1174 H ALA B 18 0.556 -9.783 -21.482 1.00 8.17 H ATOM 1175 HA ALA B 18 2.354 -11.692 -21.610 1.00 9.79 H ATOM 1176 HB1 ALA B 18 3.274 -10.683 -19.718 1.00 12.19 H ATOM 1177 HB2 ALA B 18 2.917 -9.590 -20.791 1.00 12.19 H ATOM 1178 HB3 ALA B 18 1.981 -9.805 -19.546 1.00 12.19 H ATOM 1179 N LYS B 19 0.080 -12.077 -19.385 1.00 9.37 N ANISOU 1179 N LYS B 19 2031 650 879 391 -35 61 N ATOM 1180 CA LYS B 19 -0.544 -13.069 -18.523 1.00 11.58 C ANISOU 1180 CA LYS B 19 2475 830 1094 424 454 -18 C ATOM 1181 C LYS B 19 -0.961 -14.293 -19.345 1.00 10.90 C ANISOU 1181 C LYS B 19 2292 662 1189 272 363 0 C ATOM 1182 O LYS B 19 -0.824 -15.431 -18.891 1.00 11.62 O ANISOU 1182 O LYS B 19 2478 717 1220 287 435 120 O ATOM 1183 CB LYS B 19 -1.752 -12.476 -17.787 1.00 15.34 C ANISOU 1183 CB LYS B 19 3349 1155 1323 579 749 68 C ATOM 1184 CG LYS B 19 -2.295 -13.424 -16.700 1.00 20.40 C ANISOU 1184 CG LYS B 19 4172 2003 1579 695 1012 94 C ATOM 1185 CD LYS B 19 -3.722 -13.114 -16.265 1.00 26.31 C ANISOU 1185 CD LYS B 19 5356 2851 1790 500 950 311 C ATOM 1186 CE LYS B 19 -4.512 -14.392 -15.967 1.00 29.12 C ANISOU 1186 CE LYS B 19 5946 3181 1938 505 899 440 C ATOM 1187 NZ LYS B 19 -4.758 -15.225 -17.188 1.00 30.52 N ANISOU 1187 NZ LYS B 19 6046 3547 2001 629 1060 613 N ATOM 1188 H LYS B 19 -0.339 -11.327 -19.428 1.00 11.24 H ATOM 1189 HA LYS B 19 0.106 -13.362 -17.851 1.00 13.89 H ATOM 1190 HB2 LYS B 19 -1.487 -11.647 -17.359 1.00 18.40 H ATOM 1191 HB3 LYS B 19 -2.463 -12.310 -18.425 1.00 18.40 H ATOM 1192 HG2 LYS B 19 -2.281 -14.332 -17.043 1.00 24.49 H ATOM 1193 HG3 LYS B 19 -1.727 -13.360 -15.917 1.00 24.49 H ATOM 1194 HD2 LYS B 19 -3.700 -12.576 -15.459 1.00 31.57 H ATOM 1195 HD3 LYS B 19 -4.176 -12.636 -16.976 1.00 31.57 H ATOM 1196 HE2 LYS B 19 -4.014 -14.931 -15.333 1.00 34.95 H ATOM 1197 HE3 LYS B 19 -5.373 -14.150 -15.591 1.00 34.95 H ATOM 1198 HZ1 LYS B 19 -5.219 -15.955 -16.971 1.00 36.62 H ATOM 1199 HZ2 LYS B 19 -5.223 -14.757 -17.786 1.00 36.62 H ATOM 1200 HZ3 LYS B 19 -3.983 -15.469 -17.551 1.00 36.62 H ATOM 1201 N ALA B 20 -1.445 -14.060 -20.561 1.00 9.36 N ANISOU 1201 N ALA B 20 1642 657 1258 97 36 63 N ATOM 1202 CA ALA B 20 -1.894 -15.122 -21.456 1.00 8.99 C ANISOU 1202 CA ALA B 20 1571 544 1300 -146 -170 -41 C ATOM 1203 C ALA B 20 -0.742 -16.023 -21.907 1.00 8.28 C ANISOU 1203 C ALA B 20 1510 488 1146 263 -65 -77 C ATOM 1204 O ALA B 20 -0.974 -17.088 -22.471 1.00 9.86 O ANISOU 1204 O ALA B 20 1884 529 1334 199 -225 -26 O ATOM 1205 CB ALA B 20 -2.586 -14.508 -22.652 1.00 10.16 C ANISOU 1205 CB ALA B 20 1855 598 1407 135 -402 -23 C ATOM 1206 H ALA B 20 -1.524 -13.274 -20.899 1.00 11.23 H ATOM 1207 HA ALA B 20 -2.546 -15.681 -20.983 1.00 10.79 H ATOM 1208 HB1 ALA B 20 -2.879 -15.209 -23.237 1.00 12.19 H ATOM 1209 HB2 ALA B 20 -3.340 -13.997 -22.348 1.00 12.19 H ATOM 1210 HB3 ALA B 20 -1.966 -13.935 -23.111 1.00 12.19 H ATOM 1211 N ALA B 21 0.494 -15.596 -21.652 1.00 8.26 N ANISOU 1211 N ALA B 21 1553 667 917 263 -117 -42 N ATOM 1212 CA ALA B 21 1.695 -16.371 -21.949 1.00 8.42 C ANISOU 1212 CA ALA B 21 1551 771 877 412 -154 -75 C ATOM 1213 C ALA B 21 2.361 -16.878 -20.668 1.00 10.06 C ANISOU 1213 C ALA B 21 1941 827 1055 553 -364 -153 C ATOM 1214 O ALA B 21 3.410 -17.529 -20.718 1.00 11.97 O ANISOU 1214 O ALA B 21 2262 1108 1179 615 -426 -54 O ATOM 1215 CB ALA B 21 2.666 -15.525 -22.721 1.00 10.19 C ANISOU 1215 CB ALA B 21 1775 1218 879 307 10 125 C ATOM 1216 H ALA B 21 0.666 -14.833 -21.294 1.00 9.91 H ATOM 1217 HA ALA B 21 1.453 -17.145 -22.499 1.00 10.11 H ATOM 1218 HB1 ALA B 21 3.451 -16.045 -22.910 1.00 12.23 H ATOM 1219 HB2 ALA B 21 2.253 -15.246 -23.542 1.00 12.23 H ATOM 1220 HB3 ALA B 21 2.901 -14.758 -22.194 1.00 12.23 H ATOM 1221 N GLY B 22 1.770 -16.583 -19.513 1.00 11.61 N ANISOU 1221 N GLY B 22 2349 937 1125 635 -395 -57 N ATOM 1222 CA GLY B 22 2.325 -17.034 -18.244 1.00 13.68 C ANISOU 1222 CA GLY B 22 2791 1121 1287 693 -636 -93 C ATOM 1223 C GLY B 22 3.524 -16.244 -17.765 1.00 14.82 C ANISOU 1223 C GLY B 22 2927 1237 1468 769 -803 -176 C ATOM 1224 O GLY B 22 4.279 -16.701 -16.907 1.00 16.98 O ANISOU 1224 O GLY B 22 3348 1456 1649 839 -1035 -234 O ATOM 1225 H GLY B 22 1.048 -16.123 -19.439 1.00 13.93 H ATOM 1226 HA2 GLY B 22 1.638 -16.979 -17.562 1.00 16.42 H ATOM 1227 HA3 GLY B 22 2.592 -17.962 -18.329 1.00 16.42 H ATOM 1228 N ARG B 23 3.698 -15.043 -18.292 1.00 14.51 N ANISOU 1228 N ARG B 23 2799 1143 1570 690 -943 -302 N ATOM 1229 CA AARG B 23 4.836 -14.201 -17.948 0.46 14.15 C ANISOU 1229 CA AARG B 23 2523 1257 1596 796 -921 -407 C ATOM 1230 CA BARG B 23 4.840 -14.226 -17.919 0.54 14.58 C ANISOU 1230 CA BARG B 23 2568 1330 1642 850 -935 -474 C ATOM 1231 C ARG B 23 4.483 -13.343 -16.725 1.00 14.86 C ANISOU 1231 C ARG B 23 2778 1230 1639 717 -1000 -470 C ATOM 1232 O ARG B 23 4.464 -12.101 -16.808 1.00 15.96 O ANISOU 1232 O ARG B 23 3112 1280 1673 760 -971 -441 O ATOM 1233 CB AARG B 23 5.227 -13.325 -19.150 0.46 14.21 C ANISOU 1233 CB AARG B 23 2365 1394 1641 795 -762 -341 C ATOM 1234 CB BARG B 23 5.307 -13.431 -19.128 0.54 15.11 C ANISOU 1234 CB BARG B 23 2418 1558 1766 998 -811 -519 C ATOM 1235 CG AARG B 23 6.334 -13.891 -20.067 0.46 13.95 C ANISOU 1235 CG AARG B 23 2175 1504 1621 479 -631 -191 C ATOM 1236 CG BARG B 23 5.434 -14.326 -20.354 0.54 16.11 C ANISOU 1236 CG BARG B 23 2529 1748 1843 1024 -683 -467 C ATOM 1237 CD AARG B 23 5.979 -15.217 -20.752 0.46 14.17 C ANISOU 1237 CD AARG B 23 2235 1552 1595 480 -522 -34 C ATOM 1238 CD BARG B 23 5.848 -13.552 -21.572 0.54 17.81 C ANISOU 1238 CD BARG B 23 2791 2077 1900 704 -537 -268 C ATOM 1239 NE AARG B 23 7.085 -15.700 -21.587 0.46 14.79 N ANISOU 1239 NE AARG B 23 2395 1612 1612 323 -435 65 N ATOM 1240 NE BARG B 23 7.117 -12.884 -21.339 0.54 18.53 N ANISOU 1240 NE BARG B 23 2963 2153 1925 34 -442 -189 N ATOM 1241 CZ AARG B 23 7.090 -16.852 -22.252 0.46 14.06 C ANISOU 1241 CZ AARG B 23 2125 1610 1608 653 -405 27 C ATOM 1242 CZ BARG B 23 8.300 -13.481 -21.428 0.54 18.85 C ANISOU 1242 CZ BARG B 23 2928 2281 1952 -238 -396 -185 C ATOM 1243 NH1AARG B 23 8.145 -17.198 -22.978 0.46 15.75 N ANISOU 1243 NH1AARG B 23 2709 1665 1609 361 -272 -111 N ATOM 1244 NH1BARG B 23 8.383 -14.763 -21.756 0.54 18.47 N ANISOU 1244 NH1BARG B 23 2737 2330 1949 -210 -397 -149 N ATOM 1245 NH2AARG B 23 6.055 -17.669 -22.182 0.46 14.11 N ANISOU 1245 NH2AARG B 23 2047 1721 1594 778 -680 3 N ATOM 1246 NH2BARG B 23 9.405 -12.791 -21.188 0.54 20.70 N ANISOU 1246 NH2BARG B 23 3189 2691 1985 -406 -365 -160 N ATOM 1247 H AARG B 23 3.162 -14.685 -18.861 0.46 16.95 H ATOM 1248 H BARG B 23 3.171 -14.678 -18.866 0.54 16.87 H ATOM 1249 HA AARG B 23 5.601 -14.768 -17.717 0.46 16.98 H ATOM 1250 HA BARG B 23 5.575 -14.815 -17.646 0.54 17.50 H ATOM 1251 HB2AARG B 23 4.438 -13.189 -19.698 0.46 17.05 H ATOM 1252 HB2BARG B 23 4.661 -12.735 -19.324 0.54 18.13 H ATOM 1253 HB3AARG B 23 5.538 -12.469 -18.815 0.46 17.05 H ATOM 1254 HB3BARG B 23 6.176 -13.043 -18.942 0.54 18.13 H ATOM 1255 HG2AARG B 23 6.522 -13.242 -20.763 0.46 16.74 H ATOM 1256 HG2BARG B 23 6.105 -15.005 -20.185 0.54 19.33 H ATOM 1257 HG3AARG B 23 7.131 -14.039 -19.535 0.46 16.74 H ATOM 1258 HG3BARG B 23 4.576 -14.741 -20.536 0.54 19.33 H ATOM 1259 HD2AARG B 23 5.794 -15.888 -20.076 0.46 17.00 H ATOM 1260 HD2BARG B 23 5.953 -14.159 -22.321 0.54 21.38 H ATOM 1261 HD3AARG B 23 5.203 -15.088 -21.319 0.46 17.00 H ATOM 1262 HD3BARG B 23 5.178 -12.879 -21.772 0.54 21.38 H ATOM 1263 HE AARG B 23 7.782 -15.200 -21.651 0.46 17.75 H ATOM 1264 HE BARG B 23 7.098 -12.062 -21.087 0.54 22.24 H ATOM 1265 HH11AARG B 23 8.824 -16.673 -23.027 0.46 18.89 H ATOM 1266 HH11BARG B 23 7.668 -15.215 -21.910 0.54 22.16 H ATOM 1267 HH12AARG B 23 8.146 -17.945 -23.405 0.46 18.89 H ATOM 1268 HH12BARG B 23 9.153 -15.144 -21.813 0.54 22.16 H ATOM 1269 HH21AARG B 23 5.368 -17.453 -21.712 0.46 16.94 H ATOM 1270 HH21BARG B 23 9.355 -11.959 -20.977 0.54 24.84 H ATOM 1271 HH22AARG B 23 6.064 -18.413 -22.613 0.46 16.94 H ATOM 1272 HH22BARG B 23 10.173 -13.174 -21.249 0.54 24.84 H ATOM 1273 N MET B 24 4.195 -14.002 -15.601 1.00 17.08 N ANISOU 1273 N MET B 24 3388 1404 1699 768 -1048 -484 N ATOM 1274 CA MET B 24 3.668 -13.306 -14.420 1.00 18.02 C ANISOU 1274 CA MET B 24 3798 1408 1642 845 -1121 -363 C ATOM 1275 C MET B 24 4.646 -12.341 -13.755 1.00 18.05 C ANISOU 1275 C MET B 24 3817 1364 1676 759 -1186 -339 C ATOM 1276 O MET B 24 4.223 -11.349 -13.159 1.00 17.93 O ANISOU 1276 O MET B 24 3951 1265 1595 603 -1138 -244 O ATOM 1277 CB MET B 24 3.107 -14.291 -13.382 1.00 19.67 C ANISOU 1277 CB MET B 24 4245 1506 1723 912 -1057 -323 C ATOM 1278 CG MET B 24 1.725 -14.852 -13.738 1.00 22.49 C ANISOU 1278 CG MET B 24 4991 1730 1822 845 -993 -393 C ATOM 1279 SD MET B 24 0.431 -13.621 -14.025 1.00 24.41 S ANISOU 1279 SD MET B 24 5541 1906 1828 927 -1050 -169 S ATOM 1280 CE MET B 24 0.577 -12.604 -12.558 1.00 23.66 C ANISOU 1280 CE MET B 24 5266 1835 1889 935 -1013 -78 C ATOM 1281 H MET B 24 4.295 -14.849 -15.494 1.00 20.50 H ATOM 1282 HA MET B 24 2.904 -12.772 -14.724 1.00 21.63 H ATOM 1283 HB2 MET B 24 3.718 -15.040 -13.300 1.00 23.61 H ATOM 1284 HB3 MET B 24 3.031 -13.835 -12.529 1.00 23.61 H ATOM 1285 HG2 MET B 24 1.808 -15.380 -14.547 1.00 26.98 H ATOM 1286 HG3 MET B 24 1.428 -15.421 -13.010 1.00 26.98 H ATOM 1287 HE1 MET B 24 -0.074 -11.901 -12.599 1.00 28.39 H ATOM 1288 HE2 MET B 24 0.423 -13.150 -11.783 1.00 28.39 H ATOM 1289 HE3 MET B 24 1.461 -12.231 -12.524 1.00 28.39 H ATOM 1290 N AASP B 25 5.937 -12.638 -13.867 0.38 19.49 N ANISOU 1290 N AASP B 25 4103 1576 1727 559 -1184 -361 N ATOM 1291 N BASP B 25 5.945 -12.601 -13.842 0.62 18.39 N ANISOU 1291 N BASP B 25 3751 1480 1756 546 -1235 -372 N ATOM 1292 CA AASP B 25 6.980 -11.746 -13.375 0.38 21.51 C ANISOU 1292 CA AASP B 25 4534 1898 1739 552 -1175 -334 C ATOM 1293 CA BASP B 25 6.891 -11.641 -13.274 0.62 19.45 C ANISOU 1293 CA BASP B 25 3922 1677 1792 688 -1292 -325 C ATOM 1294 C AASP B 25 6.876 -10.394 -14.077 0.38 21.07 C ANISOU 1294 C AASP B 25 4537 1781 1688 870 -1091 -367 C ATOM 1295 C BASP B 25 6.904 -10.338 -14.078 0.62 20.05 C ANISOU 1295 C BASP B 25 4226 1685 1706 963 -1155 -358 C ATOM 1296 O AASP B 25 6.800 -9.343 -13.440 0.38 21.19 O ANISOU 1296 O AASP B 25 4612 1755 1683 725 -1056 -364 O ATOM 1297 O BASP B 25 6.937 -9.249 -13.504 0.62 20.25 O ANISOU 1297 O BASP B 25 4256 1751 1686 666 -1158 -344 O ATOM 1298 CB AASP B 25 8.355 -12.369 -13.629 0.38 24.45 C ANISOU 1298 CB AASP B 25 5044 2427 1818 237 -1139 -284 C ATOM 1299 CB BASP B 25 8.298 -12.227 -13.160 0.62 21.32 C ANISOU 1299 CB BASP B 25 4231 1994 1874 620 -1358 -287 C ATOM 1300 CG AASP B 25 9.480 -11.593 -12.977 0.38 26.38 C ANISOU 1300 CG AASP B 25 5388 2763 1873 -12 -1125 -278 C ATOM 1301 CG BASP B 25 8.453 -13.133 -11.957 0.62 23.57 C ANISOU 1301 CG BASP B 25 4630 2405 1921 576 -1377 -224 C ATOM 1302 OD1AASP B 25 10.275 -10.968 -13.710 0.38 27.46 O ANISOU 1302 OD1AASP B 25 5579 2936 1920 -120 -1084 -263 O ATOM 1303 OD1BASP B 25 7.495 -13.256 -11.160 0.62 23.96 O ANISOU 1303 OD1BASP B 25 4678 2434 1992 751 -1413 -198 O ATOM 1304 OD2AASP B 25 9.569 -11.606 -11.732 0.38 26.79 O ANISOU 1304 OD2AASP B 25 5373 2919 1886 -119 -1192 -315 O ATOM 1305 OD2BASP B 25 9.544 -13.716 -11.794 0.62 24.53 O ANISOU 1305 OD2BASP B 25 4744 2623 1953 320 -1380 -232 O ATOM 1306 H AASP B 25 6.238 -13.358 -14.228 0.38 23.39 H ATOM 1307 H BASP B 25 6.297 -13.295 -14.208 0.62 22.06 H ATOM 1308 HA AASP B 25 6.870 -11.609 -12.410 0.38 25.81 H ATOM 1309 HA BASP B 25 6.595 -11.420 -12.367 0.62 23.34 H ATOM 1310 HB2AASP B 25 8.365 -13.270 -13.271 0.38 29.34 H ATOM 1311 HB2BASP B 25 8.489 -12.748 -13.955 0.62 25.58 H ATOM 1312 HB3AASP B 25 8.520 -12.391 -14.585 0.38 29.34 H ATOM 1313 HB3BASP B 25 8.937 -11.503 -13.076 0.62 25.58 H ATOM 1314 N GLU B 26 6.865 -10.443 -15.404 1.00 20.38 N ANISOU 1314 N GLU B 26 4357 1743 1644 1158 -1026 -399 N ATOM 1315 CA GLU B 26 6.756 -9.255 -16.245 1.00 20.04 C ANISOU 1315 CA GLU B 26 4108 1979 1529 1206 -708 -392 C ATOM 1316 C GLU B 26 5.440 -8.544 -15.969 1.00 17.13 C ANISOU 1316 C GLU B 26 3587 1602 1317 1140 -459 -286 C ATOM 1317 O GLU B 26 5.387 -7.307 -15.884 1.00 17.00 O ANISOU 1317 O GLU B 26 3727 1379 1351 934 -117 -158 O ATOM 1318 CB GLU B 26 6.840 -9.654 -17.720 1.00 22.07 C ANISOU 1318 CB GLU B 26 4288 2401 1697 1342 -583 -373 C ATOM 1319 CG GLU B 26 6.838 -8.491 -18.693 1.00 25.01 C ANISOU 1319 CG GLU B 26 4733 2894 1877 866 -371 -377 C ATOM 1320 CD GLU B 26 6.896 -8.960 -20.137 1.00 26.67 C ANISOU 1320 CD GLU B 26 5007 3092 2035 508 -314 -392 C ATOM 1321 OE1 GLU B 26 6.462 -10.098 -20.414 1.00 26.77 O ANISOU 1321 OE1 GLU B 26 5096 2974 2102 583 -185 -457 O ATOM 1322 OE2 GLU B 26 7.373 -8.195 -20.999 1.00 28.29 O ANISOU 1322 OE2 GLU B 26 5187 3444 2119 219 -357 -306 O ATOM 1323 H AGLU B 26 6.921 -11.174 -15.854 0.50 24.46 H ATOM 1324 H BGLU B 26 6.900 -11.184 -15.838 0.50 24.46 H ATOM 1325 HA GLU B 26 7.493 -8.641 -16.045 1.00 24.05 H ATOM 1326 HB2 GLU B 26 7.660 -10.152 -17.859 1.00 26.49 H ATOM 1327 HB3 GLU B 26 6.078 -10.216 -17.932 1.00 26.49 H ATOM 1328 HG2 GLU B 26 6.023 -7.978 -18.575 1.00 30.02 H ATOM 1329 HG3 GLU B 26 7.613 -7.933 -18.525 1.00 30.02 H ATOM 1330 N VAL B 27 4.371 -9.323 -15.837 1.00 14.96 N ANISOU 1330 N VAL B 27 3239 1332 1113 929 -608 -251 N ATOM 1331 CA VAL B 27 3.062 -8.786 -15.497 1.00 14.29 C ANISOU 1331 CA VAL B 27 3133 1166 1128 748 -703 -237 C ATOM 1332 C VAL B 27 3.119 -7.929 -14.236 1.00 14.23 C ANISOU 1332 C VAL B 27 3282 1042 1080 596 -520 -106 C ATOM 1333 O VAL B 27 2.584 -6.816 -14.205 1.00 14.15 O ANISOU 1333 O VAL B 27 3313 966 1099 476 -437 -90 O ATOM 1334 CB VAL B 27 2.037 -9.920 -15.288 1.00 15.15 C ANISOU 1334 CB VAL B 27 3359 1160 1238 683 -816 -236 C ATOM 1335 CG1 VAL B 27 0.804 -9.427 -14.563 1.00 17.00 C ANISOU 1335 CG1 VAL B 27 3824 1405 1231 660 -688 -213 C ATOM 1336 CG2 VAL B 27 1.654 -10.555 -16.624 1.00 15.51 C ANISOU 1336 CG2 VAL B 27 3147 1446 1300 928 -835 -323 C ATOM 1337 H VAL B 27 4.380 -10.176 -15.940 1.00 17.95 H ATOM 1338 HA VAL B 27 2.746 -8.222 -16.234 1.00 17.14 H ATOM 1339 HB VAL B 27 2.449 -10.616 -14.735 1.00 18.18 H ATOM 1340 HG11 VAL B 27 0.194 -10.159 -14.453 1.00 20.40 H ATOM 1341 HG12 VAL B 27 1.063 -9.084 -13.705 1.00 20.40 H ATOM 1342 HG13 VAL B 27 0.393 -8.733 -15.083 1.00 20.40 H ATOM 1343 HG21 VAL B 27 1.017 -11.256 -16.465 1.00 18.61 H ATOM 1344 HG22 VAL B 27 1.267 -9.883 -17.190 1.00 18.61 H ATOM 1345 HG23 VAL B 27 2.442 -10.916 -17.036 1.00 18.61 H ATOM 1346 N ARG B 28 3.758 -8.428 -13.189 1.00 14.70 N ANISOU 1346 N ARG B 28 3487 1045 1053 531 -561 -117 N ATOM 1347 CA ARG B 28 3.758 -7.676 -11.943 1.00 15.15 C ANISOU 1347 CA ARG B 28 3619 1012 1125 360 -576 -99 C ATOM 1348 C ARG B 28 4.531 -6.351 -12.091 1.00 14.82 C ANISOU 1348 C ARG B 28 3201 1207 1223 708 -291 -278 C ATOM 1349 O ARG B 28 4.111 -5.332 -11.536 1.00 15.13 O ANISOU 1349 O ARG B 28 3300 1155 1294 423 -52 -333 O ATOM 1350 CB ARG B 28 4.216 -8.560 -10.766 1.00 15.78 C ANISOU 1350 CB ARG B 28 3657 1057 1280 233 -693 35 C ATOM 1351 CG ARG B 28 3.125 -9.583 -10.355 1.00 17.53 C ANISOU 1351 CG ARG B 28 3663 1537 1460 321 -872 193 C ATOM 1352 CD ARG B 28 3.483 -10.397 -9.113 1.00 19.04 C ANISOU 1352 CD ARG B 28 3823 1933 1478 272 -942 212 C ATOM 1353 NE ARG B 28 4.284 -11.549 -9.473 1.00 22.56 N ANISOU 1353 NE ARG B 28 4498 2562 1511 8 -808 208 N ATOM 1354 CZ ARG B 28 3.803 -12.769 -9.669 1.00 23.42 C ANISOU 1354 CZ ARG B 28 4373 2996 1530 -116 -887 286 C ATOM 1355 NH1 ARG B 28 4.622 -13.737 -10.025 1.00 23.88 N ANISOU 1355 NH1 ARG B 28 4366 3156 1553 -12 -798 248 N ATOM 1356 NH2 ARG B 28 2.512 -13.033 -9.507 1.00 26.09 N ANISOU 1356 NH2 ARG B 28 4734 3616 1564 152 -929 350 N ATOM 1357 H ARG B 28 4.185 -9.174 -13.170 1.00 17.64 H ATOM 1358 HA ARG B 28 2.829 -7.430 -11.752 1.00 18.18 H ATOM 1359 HB2 ARG B 28 5.011 -9.052 -11.027 1.00 18.93 H ATOM 1360 HB3 ARG B 28 4.408 -7.996 -10.000 1.00 18.93 H ATOM 1361 HG2 ARG B 28 2.302 -9.104 -10.169 1.00 21.03 H ATOM 1362 HG3 ARG B 28 2.987 -10.204 -11.087 1.00 21.03 H ATOM 1363 HD2 ARG B 28 3.995 -9.846 -8.502 1.00 22.85 H ATOM 1364 HD3 ARG B 28 2.669 -10.710 -8.687 1.00 22.85 H ATOM 1365 HE ARG B 28 5.131 -11.434 -9.567 1.00 27.07 H ATOM 1366 HH11 ARG B 28 5.461 -13.575 -10.124 1.00 28.66 H ATOM 1367 HH12 ARG B 28 4.322 -14.534 -10.140 1.00 28.66 H ATOM 1368 HH21 ARG B 28 1.970 -12.405 -9.283 1.00 31.31 H ATOM 1369 HH22 ARG B 28 2.217 -13.831 -9.633 1.00 31.31 H ATOM 1370 N THR B 29 5.616 -6.320 -12.862 1.00 15.11 N ANISOU 1370 N THR B 29 2923 1516 1302 962 -292 -406 N ATOM 1371 CA THR B 29 6.312 -5.052 -13.115 1.00 15.39 C ANISOU 1371 CA THR B 29 2636 1863 1348 1087 -145 -378 C ATOM 1372 C THR B 29 5.450 -4.105 -13.954 1.00 13.39 C ANISOU 1372 C THR B 29 2300 1462 1324 814 -105 -403 C ATOM 1373 O THR B 29 5.371 -2.907 -13.684 1.00 13.29 O ANISOU 1373 O THR B 29 2138 1484 1426 431 -60 -380 O ATOM 1374 CB THR B 29 7.650 -5.249 -13.844 1.00 18.92 C ANISOU 1374 CB THR B 29 2972 2687 1529 1105 -80 -63 C ATOM 1375 OG1 THR B 29 8.474 -6.143 -13.102 1.00 21.21 O ANISOU 1375 OG1 THR B 29 3340 3116 1602 1265 -33 66 O ATOM 1376 CG2 THR B 29 8.372 -3.911 -14.001 1.00 19.09 C ANISOU 1376 CG2 THR B 29 2417 3217 1619 915 64 -11 C ATOM 1377 H THR B 29 5.967 -7.005 -13.245 1.00 18.13 H ATOM 1378 HA THR B 29 6.496 -4.615 -12.258 1.00 18.47 H ATOM 1379 HB THR B 29 7.487 -5.616 -14.727 1.00 22.70 H ATOM 1380 HG1 THR B 29 8.618 -5.837 -12.355 1.00 25.45 H ATOM 1381 HG21 THR B 29 9.206 -4.039 -14.457 1.00 22.90 H ATOM 1382 HG22 THR B 29 7.829 -3.303 -14.509 1.00 22.90 H ATOM 1383 HG23 THR B 29 8.543 -3.528 -13.137 1.00 22.90 H ATOM 1384 N LEU B 30 4.803 -4.645 -14.977 1.00 12.96 N ANISOU 1384 N LEU B 30 2660 1037 1230 728 -303 -173 N ATOM 1385 CA LEU B 30 3.952 -3.836 -15.831 1.00 12.36 C ANISOU 1385 CA LEU B 30 2716 909 1072 544 -173 -56 C ATOM 1386 C LEU B 30 2.772 -3.278 -15.036 1.00 10.68 C ANISOU 1386 C LEU B 30 2447 732 880 402 -80 -18 C ATOM 1387 O LEU B 30 2.318 -2.175 -15.321 1.00 9.96 O ANISOU 1387 O LEU B 30 2327 653 806 313 -9 -10 O ATOM 1388 CB LEU B 30 3.458 -4.648 -17.018 1.00 14.02 C ANISOU 1388 CB LEU B 30 2987 1236 1106 643 -55 -114 C ATOM 1389 CG LEU B 30 4.523 -5.020 -18.052 1.00 16.90 C ANISOU 1389 CG LEU B 30 3526 1709 1187 1248 164 94 C ATOM 1390 CD1 LEU B 30 3.946 -5.982 -19.066 1.00 18.46 C ANISOU 1390 CD1 LEU B 30 3624 2124 1264 1373 143 -113 C ATOM 1391 CD2 LEU B 30 5.067 -3.773 -18.738 1.00 19.67 C ANISOU 1391 CD2 LEU B 30 3922 2291 1260 1204 386 174 C ATOM 1392 H LEU B 30 4.840 -5.476 -15.196 1.00 15.56 H ATOM 1393 HA LEU B 30 4.471 -3.080 -16.175 1.00 14.83 H ATOM 1394 HB2 LEU B 30 3.074 -5.475 -16.686 1.00 16.83 H ATOM 1395 HB3 LEU B 30 2.774 -4.136 -17.477 1.00 16.83 H ATOM 1396 HG LEU B 30 5.260 -5.462 -17.603 1.00 20.28 H ATOM 1397 HD11 LEU B 30 4.625 -6.205 -19.706 1.00 22.15 H ATOM 1398 HD12 LEU B 30 3.651 -6.774 -18.611 1.00 22.15 H ATOM 1399 HD13 LEU B 30 3.204 -5.561 -19.507 1.00 22.15 H ATOM 1400 HD21 LEU B 30 5.731 -4.035 -19.380 1.00 23.60 H ATOM 1401 HD22 LEU B 30 4.345 -3.320 -19.180 1.00 23.60 H ATOM 1402 HD23 LEU B 30 5.458 -3.198 -18.076 1.00 23.60 H ATOM 1403 N GLN B 31 2.257 -4.033 -14.067 1.00 11.17 N ANISOU 1403 N GLN B 31 2648 746 851 350 -162 -46 N ATOM 1404 CA GLN B 31 1.178 -3.529 -13.210 1.00 11.14 C ANISOU 1404 CA GLN B 31 2426 862 946 204 -211 24 C ATOM 1405 C GLN B 31 1.630 -2.279 -12.460 1.00 9.11 C ANISOU 1405 C GLN B 31 2080 592 788 261 -244 -13 C ATOM 1406 O GLN B 31 0.871 -1.319 -12.319 1.00 9.04 O ANISOU 1406 O GLN B 31 1965 734 737 279 -70 20 O ATOM 1407 CB GLN B 31 0.720 -4.596 -12.209 1.00 11.86 C ANISOU 1407 CB GLN B 31 2616 758 1135 90 -253 182 C ATOM 1408 CG GLN B 31 -0.076 -5.755 -12.809 1.00 15.10 C ANISOU 1408 CG GLN B 31 3251 1113 1375 -299 -412 146 C ATOM 1409 CD GLN B 31 -0.332 -6.860 -11.765 1.00 18.76 C ANISOU 1409 CD GLN B 31 4184 1318 1627 -690 -383 167 C ATOM 1410 OE1 GLN B 31 0.366 -6.952 -10.750 1.00 21.53 O ANISOU 1410 OE1 GLN B 31 4736 1638 1809 -674 -507 451 O ATOM 1411 NE2 GLN B 31 -1.339 -7.687 -12.011 1.00 19.92 N ANISOU 1411 NE2 GLN B 31 4306 1523 1740 -902 -182 280 N ATOM 1412 H GLN B 31 2.509 -4.835 -13.885 1.00 13.41 H ATOM 1413 HA GLN B 31 0.410 -3.287 -13.769 1.00 13.37 H ATOM 1414 HB2 GLN B 31 1.505 -4.973 -11.781 1.00 14.24 H ATOM 1415 HB3 GLN B 31 0.159 -4.171 -11.542 1.00 14.24 H ATOM 1416 HG2 GLN B 31 -0.934 -5.427 -13.121 1.00 18.12 H ATOM 1417 HG3 GLN B 31 0.424 -6.142 -13.544 1.00 18.12 H ATOM 1418 HE21 GLN B 31 -1.810 -7.591 -12.723 1.00 23.91 H ATOM 1419 HE22 GLN B 31 -1.520 -8.320 -11.457 1.00 23.91 H ATOM 1420 N GLU B 32 2.869 -2.286 -11.979 1.00 10.00 N ANISOU 1420 N GLU B 32 2155 842 803 289 -372 -71 N ATOM 1421 CA GLU B 32 3.420 -1.099 -11.334 1.00 10.16 C ANISOU 1421 CA GLU B 32 2105 904 852 426 -330 -60 C ATOM 1422 C GLU B 32 3.452 0.067 -12.319 1.00 8.68 C ANISOU 1422 C GLU B 32 1672 843 785 369 -349 -122 C ATOM 1423 O GLU B 32 3.052 1.180 -11.975 1.00 8.89 O ANISOU 1423 O GLU B 32 1818 783 775 365 -215 -97 O ATOM 1424 CB GLU B 32 4.817 -1.359 -10.791 1.00 13.48 C ANISOU 1424 CB GLU B 32 2747 1283 1092 697 -400 111 C ATOM 1425 CG GLU B 32 4.822 -2.348 -9.635 1.00 16.70 C ANISOU 1425 CG GLU B 32 3076 1979 1291 740 -458 203 C ATOM 1426 CD GLU B 32 6.205 -2.619 -9.085 1.00 23.26 C ANISOU 1426 CD GLU B 32 4048 3219 1571 670 -272 363 C ATOM 1427 OE1 GLU B 32 7.201 -2.251 -9.742 1.00 26.24 O ANISOU 1427 OE1 GLU B 32 4450 3800 1721 500 -102 249 O ATOM 1428 OE2 GLU B 32 6.293 -3.216 -7.995 1.00 26.99 O ANISOU 1428 OE2 GLU B 32 4634 3879 1743 665 -340 446 O ATOM 1429 H GLU B 32 3.406 -2.957 -12.012 1.00 12.00 H ATOM 1430 HA GLU B 32 2.844 -0.846 -10.582 1.00 12.19 H ATOM 1431 HB2 GLU B 32 5.369 -1.724 -11.500 1.00 16.18 H ATOM 1432 HB3 GLU B 32 5.193 -0.524 -10.472 1.00 16.18 H ATOM 1433 HG2 GLU B 32 4.279 -1.993 -8.915 1.00 20.04 H ATOM 1434 HG3 GLU B 32 4.453 -3.191 -9.942 1.00 20.04 H ATOM 1435 N ASN B 33 3.940 -0.170 -13.536 1.00 8.56 N ANISOU 1435 N ASN B 33 1608 822 821 388 -250 -133 N ATOM 1436 CA ASN B 33 3.969 0.888 -14.550 1.00 8.58 C ANISOU 1436 CA ASN B 33 1447 980 834 374 -70 -67 C ATOM 1437 C ASN B 33 2.553 1.425 -14.835 1.00 7.08 C ANISOU 1437 C ASN B 33 1249 707 732 210 -54 -163 C ATOM 1438 O ASN B 33 2.348 2.627 -14.967 1.00 7.18 O ANISOU 1438 O ASN B 33 1275 674 780 209 131 11 O ATOM 1439 CB ASN B 33 4.564 0.368 -15.865 1.00 9.06 C ANISOU 1439 CB ASN B 33 1468 1064 911 407 -127 -279 C ATOM 1440 CG ASN B 33 6.106 0.288 -15.894 1.00 9.39 C ANISOU 1440 CG ASN B 33 1438 1139 992 306 -268 -320 C ATOM 1441 OD1 ASN B 33 6.831 0.599 -14.937 1.00 11.87 O ANISOU 1441 OD1 ASN B 33 1748 1594 1168 154 -309 -234 O ATOM 1442 ND2 ASN B 33 6.605 -0.150 -17.038 1.00 9.59 N ANISOU 1442 ND2 ASN B 33 1227 1408 1009 363 -288 -376 N ATOM 1443 H ASN B 33 4.257 -0.925 -13.799 1.00 10.27 H ATOM 1444 HA ASN B 33 4.523 1.630 -14.230 1.00 10.30 H ATOM 1445 HB2 ASN B 33 4.222 -0.525 -16.028 1.00 10.87 H ATOM 1446 HB3 ASN B 33 4.288 0.958 -16.583 1.00 10.87 H ATOM 1447 HD21 ASN B 33 6.079 -0.360 -17.685 1.00 11.51 H ATOM 1448 HD22 ASN B 33 7.457 -0.223 -17.135 1.00 11.51 H ATOM 1449 N LEU B 34 1.589 0.518 -14.989 1.00 7.27 N ANISOU 1449 N LEU B 34 1268 815 679 222 -86 18 N ATOM 1450 CA LEU B 34 0.205 0.909 -15.220 1.00 6.79 C ANISOU 1450 CA LEU B 34 1244 608 730 105 -105 -42 C ATOM 1451 C LEU B 34 -0.309 1.837 -14.116 1.00 6.26 C ANISOU 1451 C LEU B 34 1238 445 695 67 -27 -70 C ATOM 1452 O LEU B 34 -0.921 2.876 -14.374 1.00 6.74 O ANISOU 1452 O LEU B 34 1353 490 718 5 -41 -148 O ATOM 1453 CB LEU B 34 -0.677 -0.329 -15.318 1.00 7.64 C ANISOU 1453 CB LEU B 34 1344 728 829 78 -79 -75 C ATOM 1454 CG LEU B 34 -2.176 -0.060 -15.409 1.00 8.43 C ANISOU 1454 CG LEU B 34 1444 803 955 -86 -7 -61 C ATOM 1455 CD1 LEU B 34 -2.551 0.809 -16.605 1.00 9.07 C ANISOU 1455 CD1 LEU B 34 1408 997 1041 16 -92 89 C ATOM 1456 CD2 LEU B 34 -2.934 -1.368 -15.419 1.00 10.92 C ANISOU 1456 CD2 LEU B 34 1926 1113 1108 -485 -97 -68 C ATOM 1457 H LEU B 34 1.714 -0.332 -14.963 1.00 8.72 H ATOM 1458 HA LEU B 34 0.148 1.391 -16.072 1.00 8.15 H ATOM 1459 HB2 LEU B 34 -0.422 -0.825 -16.111 1.00 9.17 H ATOM 1460 HB3 LEU B 34 -0.527 -0.876 -14.531 1.00 9.17 H ATOM 1461 HG LEU B 34 -2.446 0.420 -14.611 1.00 10.11 H ATOM 1462 HD11 LEU B 34 -3.502 0.942 -16.609 1.00 10.88 H ATOM 1463 HD12 LEU B 34 -2.102 1.654 -16.530 1.00 10.88 H ATOM 1464 HD13 LEU B 34 -2.280 0.364 -17.412 1.00 10.88 H ATOM 1465 HD21 LEU B 34 -3.875 -1.183 -15.476 1.00 13.10 H ATOM 1466 HD22 LEU B 34 -2.655 -1.885 -16.178 1.00 13.10 H ATOM 1467 HD23 LEU B 34 -2.743 -1.846 -14.609 1.00 13.10 H ATOM 1468 N HIS B 35 -0.056 1.450 -12.874 1.00 7.15 N ANISOU 1468 N HIS B 35 1468 603 645 116 25 -33 N ATOM 1469 CA HIS B 35 -0.534 2.239 -11.756 1.00 7.95 C ANISOU 1469 CA HIS B 35 1493 798 729 53 107 -92 C ATOM 1470 C HIS B 35 0.144 3.599 -11.730 1.00 6.33 C ANISOU 1470 C HIS B 35 1140 628 637 99 -124 -137 C ATOM 1471 O HIS B 35 -0.487 4.594 -11.377 1.00 6.68 O ANISOU 1471 O HIS B 35 1283 600 655 64 -122 -156 O ATOM 1472 CB HIS B 35 -0.325 1.500 -10.440 1.00 10.21 C ANISOU 1472 CB HIS B 35 2291 712 877 19 145 -4 C ATOM 1473 CG HIS B 35 -1.060 0.203 -10.371 1.00 12.61 C ANISOU 1473 CG HIS B 35 2941 784 1065 139 472 63 C ATOM 1474 ND1 HIS B 35 -0.712 -0.804 -9.501 1.00 15.40 N ANISOU 1474 ND1 HIS B 35 3563 1050 1240 67 560 171 N ATOM 1475 CD2 HIS B 35 -2.094 -0.272 -11.105 1.00 13.80 C ANISOU 1475 CD2 HIS B 35 3141 927 1175 -357 628 -78 C ATOM 1476 CE1 HIS B 35 -1.514 -1.838 -9.684 1.00 15.68 C ANISOU 1476 CE1 HIS B 35 3494 1183 1282 -173 711 23 C ATOM 1477 NE2 HIS B 35 -2.361 -1.540 -10.652 1.00 15.18 N ANISOU 1477 NE2 HIS B 35 3354 1132 1284 -232 712 -100 N ATOM 1478 H HIS B 35 0.384 0.744 -12.656 1.00 8.58 H ATOM 1479 HA HIS B 35 -1.497 2.387 -11.865 1.00 9.54 H ATOM 1480 HB2 HIS B 35 0.621 1.314 -10.332 1.00 12.25 H ATOM 1481 HB3 HIS B 35 -0.637 2.060 -9.712 1.00 12.25 H ATOM 1482 HD1 HIS B 35 -0.077 -0.765 -8.923 1.00 18.48 H ATOM 1483 HD2 HIS B 35 -2.544 0.179 -11.782 1.00 16.56 H ATOM 1484 HE1 HIS B 35 -1.488 -2.638 -9.210 1.00 18.82 H ATOM 1485 HE2 HIS B 35 -2.982 -2.056 -10.948 1.00 18.22 H ATOM 1486 N GLN B 36 1.415 3.654 -12.090 1.00 6.64 N ANISOU 1486 N GLN B 36 1299 549 674 92 -152 -77 N ATOM 1487 CA GLN B 36 2.135 4.913 -12.149 1.00 6.48 C ANISOU 1487 CA GLN B 36 975 781 706 104 -137 -119 C ATOM 1488 C GLN B 36 1.581 5.832 -13.247 1.00 6.08 C ANISOU 1488 C GLN B 36 917 707 685 23 -101 -120 C ATOM 1489 O GLN B 36 1.409 7.034 -13.028 1.00 6.48 O ANISOU 1489 O GLN B 36 1030 736 695 32 -44 -139 O ATOM 1490 CB GLN B 36 3.619 4.654 -12.376 1.00 7.25 C ANISOU 1490 CB GLN B 36 979 992 784 330 -120 -51 C ATOM 1491 CG GLN B 36 4.455 5.913 -12.337 1.00 9.02 C ANISOU 1491 CG GLN B 36 1127 1343 955 95 -78 -81 C ATOM 1492 CD GLN B 36 4.505 6.554 -10.964 1.00 11.41 C ANISOU 1492 CD GLN B 36 1414 1783 1140 -411 9 -403 C ATOM 1493 OE1 GLN B 36 4.154 5.942 -9.958 1.00 13.66 O ANISOU 1493 OE1 GLN B 36 1503 2525 1161 -338 27 -595 O ATOM 1494 NE2 GLN B 36 5.002 7.780 -10.917 1.00 14.84 N ANISOU 1494 NE2 GLN B 36 2095 2240 1303 -423 126 -578 N ATOM 1495 H GLN B 36 1.888 2.970 -12.307 1.00 7.97 H ATOM 1496 HA GLN B 36 2.036 5.376 -11.291 1.00 7.77 H ATOM 1497 HB2 GLN B 36 3.944 4.058 -11.682 1.00 8.70 H ATOM 1498 HB3 GLN B 36 3.738 4.243 -13.246 1.00 8.70 H ATOM 1499 HG2 GLN B 36 5.364 5.696 -12.599 1.00 10.82 H ATOM 1500 HG3 GLN B 36 4.078 6.559 -12.955 1.00 10.82 H ATOM 1501 HE21 GLN B 36 5.272 8.163 -11.638 1.00 17.80 H ATOM 1502 HE22 GLN B 36 5.056 8.193 -10.165 1.00 17.80 H ATOM 1503 N LEU B 37 1.310 5.269 -14.423 1.00 6.47 N ANISOU 1503 N LEU B 37 1081 720 659 -22 -70 -91 N ATOM 1504 CA LEU B 37 0.777 6.069 -15.518 1.00 6.44 C ANISOU 1504 CA LEU B 37 1068 705 675 141 -49 -75 C ATOM 1505 C LEU B 37 -0.600 6.598 -15.141 1.00 5.97 C ANISOU 1505 C LEU B 37 1117 445 705 -57 -217 -21 C ATOM 1506 O LEU B 37 -0.905 7.752 -15.414 1.00 6.69 O ANISOU 1506 O LEU B 37 1253 635 655 64 -117 53 O ATOM 1507 CB LEU B 37 0.699 5.241 -16.796 1.00 7.01 C ANISOU 1507 CB LEU B 37 1064 854 747 42 61 -83 C ATOM 1508 CG LEU B 37 2.024 4.778 -17.389 1.00 8.94 C ANISOU 1508 CG LEU B 37 1354 1059 983 58 150 -72 C ATOM 1509 CD1 LEU B 37 1.731 3.868 -18.572 1.00 11.22 C ANISOU 1509 CD1 LEU B 37 1931 1260 1072 -103 399 -335 C ATOM 1510 CD2 LEU B 37 2.862 5.955 -17.793 1.00 9.95 C ANISOU 1510 CD2 LEU B 37 1276 1328 1176 233 139 -48 C ATOM 1511 H LEU B 37 1.424 4.437 -14.609 1.00 7.77 H ATOM 1512 HA LEU B 37 1.368 6.833 -15.680 1.00 7.73 H ATOM 1513 HB2 LEU B 37 0.175 4.446 -16.611 1.00 8.42 H ATOM 1514 HB3 LEU B 37 0.251 5.770 -17.473 1.00 8.42 H ATOM 1515 HG LEU B 37 2.513 4.268 -16.725 1.00 10.73 H ATOM 1516 HD11 LEU B 37 2.562 3.572 -18.951 1.00 13.46 H ATOM 1517 HD12 LEU B 37 1.223 3.113 -18.266 1.00 13.46 H ATOM 1518 HD13 LEU B 37 1.228 4.359 -19.226 1.00 13.46 H ATOM 1519 HD21 LEU B 37 3.689 5.637 -18.163 1.00 11.94 H ATOM 1520 HD22 LEU B 37 2.385 6.468 -18.450 1.00 11.94 H ATOM 1521 HD23 LEU B 37 3.036 6.495 -17.019 1.00 11.94 H ATOM 1522 N MET B 38 -1.427 5.771 -14.511 1.00 6.41 N ANISOU 1522 N MET B 38 1080 481 875 69 -249 -78 N ATOM 1523 CA AMET B 38 -2.735 6.240 -14.066 0.58 9.47 C ANISOU 1523 CA AMET B 38 1340 985 1272 163 -153 -78 C ATOM 1524 CA BMET B 38 -2.730 6.200 -14.035 0.42 4.88 C ANISOU 1524 CA BMET B 38 838 333 684 87 -153 -18 C ATOM 1525 C MET B 38 -2.602 7.324 -13.003 1.00 6.35 C ANISOU 1525 C MET B 38 1090 500 824 110 -113 -16 C ATOM 1526 O MET B 38 -3.358 8.296 -13.013 1.00 7.04 O ANISOU 1526 O MET B 38 1167 638 869 154 -102 -50 O ATOM 1527 CB AMET B 38 -3.582 5.092 -13.532 0.58 16.73 C ATOM 1528 CB BMET B 38 -3.438 4.998 -13.428 0.42 2.84 C ATOM 1529 CG AMET B 38 -3.787 3.987 -14.539 0.58 11.04 C ATOM 1530 CG BMET B 38 -4.849 5.258 -12.990 0.42 8.70 C ATOM 1531 SD AMET B 38 -5.482 3.769 -15.043 0.58 28.19 S ATOM 1532 SD BMET B 38 -4.884 5.947 -11.340 0.42 13.09 S ATOM 1533 CE AMET B 38 -5.497 1.977 -15.106 0.58 36.66 C ATOM 1534 CE BMET B 38 -4.226 4.557 -10.413 0.42 11.17 C ATOM 1535 H AMET B 38 -1.260 4.947 -14.331 0.58 7.12 H ATOM 1536 H BMET B 38 -1.252 4.946 -14.346 0.42 7.28 H ATOM 1537 HA AMET B 38 -3.207 6.619 -14.837 0.58 11.36 H ATOM 1538 HA BMET B 38 -3.262 6.519 -14.794 0.42 5.86 H ATOM 1539 HB2AMET B 38 -3.142 4.711 -12.756 0.58 20.07 H ATOM 1540 HB2BMET B 38 -3.462 4.288 -14.088 0.42 3.40 H ATOM 1541 HB3AMET B 38 -4.455 5.434 -13.283 0.58 20.07 H ATOM 1542 HB3BMET B 38 -2.938 4.705 -12.651 0.42 3.40 H ATOM 1543 HG2AMET B 38 -3.266 4.188 -15.332 0.58 13.24 H ATOM 1544 HG2BMET B 38 -5.263 5.893 -13.596 0.42 10.45 H ATOM 1545 HG3AMET B 38 -3.484 3.152 -14.150 0.58 13.24 H ATOM 1546 HG3BMET B 38 -5.343 4.424 -12.985 0.42 10.45 H ATOM 1547 HE1AMET B 38 -6.370 1.682 -15.372 0.58 43.99 H ATOM 1548 HE1BMET B 38 -4.187 4.792 -9.483 0.42 13.40 H ATOM 1549 HE2AMET B 38 -4.842 1.682 -15.744 0.58 43.99 H ATOM 1550 HE2BMET B 38 -4.802 3.799 -10.536 0.42 13.40 H ATOM 1551 HE3AMET B 38 -5.285 1.633 -14.236 0.58 43.99 H ATOM 1552 HE3BMET B 38 -3.345 4.355 -10.737 0.42 13.40 H ATOM 1553 N HIS B 39 -1.662 7.161 -12.085 1.00 6.39 N ANISOU 1553 N HIS B 39 1044 711 671 62 -80 6 N ATOM 1554 CA HIS B 39 -1.439 8.162 -11.057 1.00 6.12 C ANISOU 1554 CA HIS B 39 1014 648 663 -34 -8 -91 C ATOM 1555 C HIS B 39 -1.140 9.524 -11.689 1.00 6.79 C ANISOU 1555 C HIS B 39 1147 742 691 103 82 -156 C ATOM 1556 O HIS B 39 -1.641 10.551 -11.233 1.00 7.70 O ANISOU 1556 O HIS B 39 1400 663 863 186 206 -202 O ATOM 1557 CB HIS B 39 -0.300 7.690 -10.148 1.00 6.91 C ANISOU 1557 CB HIS B 39 1114 853 658 21 -47 -54 C ATOM 1558 CG HIS B 39 0.174 8.721 -9.175 1.00 6.68 C ANISOU 1558 CG HIS B 39 1058 914 566 19 89 -98 C ATOM 1559 ND1 HIS B 39 -0.522 9.078 -8.043 1.00 7.60 N ANISOU 1559 ND1 HIS B 39 1085 1194 610 55 -138 -174 N ATOM 1560 CD2 HIS B 39 1.288 9.484 -9.192 1.00 7.90 C ANISOU 1560 CD2 HIS B 39 1278 1100 624 -50 30 25 C ATOM 1561 CE1 HIS B 39 0.148 10.013 -7.396 1.00 7.70 C ANISOU 1561 CE1 HIS B 39 1288 980 655 -73 -98 -88 C ATOM 1562 NE2 HIS B 39 1.251 10.273 -8.074 1.00 7.50 N ANISOU 1562 NE2 HIS B 39 1241 899 709 -167 -118 -86 N ATOM 1563 H HIS B 39 -1.140 6.479 -12.036 1.00 7.66 H ATOM 1564 HA HIS B 39 -2.249 8.250 -10.513 1.00 7.35 H ATOM 1565 HB2 HIS B 39 -0.605 6.923 -9.639 1.00 8.29 H ATOM 1566 HB3 HIS B 39 0.456 7.437 -10.701 1.00 8.29 H ATOM 1567 HD2 HIS B 39 1.958 9.470 -9.837 1.00 9.48 H ATOM 1568 HE1 HIS B 39 -0.111 10.418 -6.600 1.00 9.24 H ATOM 1569 HE2 HIS B 39 1.849 10.850 -7.852 1.00 9.00 H ATOM 1570 N AGLU B 40 -0.312 9.553 -12.721 0.64 5.57 N ANISOU 1570 N AGLU B 40 987 437 693 168 -26 -58 N ATOM 1571 N BGLU B 40 -0.336 9.523 -12.749 0.36 6.64 N ANISOU 1571 N BGLU B 40 1169 649 706 99 98 -103 N ATOM 1572 CA AGLU B 40 -0.025 10.821 -13.364 0.64 7.25 C ANISOU 1572 CA AGLU B 40 1336 585 835 181 112 97 C ATOM 1573 CA BGLU B 40 0.013 10.753 -13.458 0.36 7.34 C ANISOU 1573 CA BGLU B 40 1318 675 796 -8 162 -27 C ATOM 1574 C AGLU B 40 -1.225 11.307 -14.197 0.64 7.63 C ANISOU 1574 C AGLU B 40 1601 546 750 205 109 17 C ATOM 1575 C BGLU B 40 -1.148 11.300 -14.282 0.36 7.18 C ANISOU 1575 C BGLU B 40 1391 571 767 155 124 9 C ATOM 1576 O AGLU B 40 -1.565 12.494 -14.153 0.64 9.46 O ANISOU 1576 O AGLU B 40 2135 713 746 392 -31 -105 O ATOM 1577 O BGLU B 40 -1.350 12.514 -14.359 0.36 8.07 O ANISOU 1577 O BGLU B 40 1503 746 816 335 69 66 O ATOM 1578 CB AGLU B 40 1.267 10.751 -14.183 0.64 8.91 C ANISOU 1578 CB AGLU B 40 1614 714 1057 281 228 185 C ATOM 1579 CB BGLU B 40 1.218 10.520 -14.372 0.36 8.43 C ANISOU 1579 CB BGLU B 40 1413 865 926 -251 247 -14 C ATOM 1580 CG AGLU B 40 2.518 10.391 -13.362 0.64 10.00 C ANISOU 1580 CG AGLU B 40 1533 1044 1224 391 216 344 C ATOM 1581 CG BGLU B 40 2.507 10.235 -13.629 0.36 10.34 C ANISOU 1581 CG BGLU B 40 1499 1390 1040 -414 227 43 C ATOM 1582 CD AGLU B 40 2.797 11.309 -12.171 0.64 11.93 C ANISOU 1582 CD AGLU B 40 1924 1254 1354 63 -5 338 C ATOM 1583 CD BGLU B 40 2.884 11.343 -12.664 0.36 12.07 C ANISOU 1583 CD BGLU B 40 1730 1762 1094 -350 302 88 C ATOM 1584 OE1AGLU B 40 2.272 12.434 -12.110 0.64 13.55 O ANISOU 1584 OE1AGLU B 40 2393 1328 1427 38 -272 266 O ATOM 1585 OE1BGLU B 40 2.319 11.390 -11.553 0.36 13.69 O ANISOU 1585 OE1BGLU B 40 1977 2101 1123 -555 239 -23 O ATOM 1586 OE2AGLU B 40 3.537 10.881 -11.260 0.64 13.07 O ANISOU 1586 OE2AGLU B 40 1962 1644 1358 62 117 395 O ATOM 1587 OE2BGLU B 40 3.737 12.176 -13.008 0.36 14.83 O ANISOU 1587 OE2BGLU B 40 2464 2032 1137 -435 354 139 O ATOM 1588 H AGLU B 40 0.087 8.871 -13.061 0.64 6.69 H ATOM 1589 H BGLU B 40 0.023 8.816 -13.082 0.36 7.97 H ATOM 1590 HA AGLU B 40 0.121 11.488 -12.661 0.64 8.70 H ATOM 1591 HA BGLU B 40 0.263 11.436 -12.801 0.36 8.81 H ATOM 1592 HB2AGLU B 40 1.163 10.075 -14.872 0.64 10.69 H ATOM 1593 HB2BGLU B 40 1.032 9.760 -14.945 0.36 10.12 H ATOM 1594 HB3AGLU B 40 1.423 11.615 -14.594 0.64 10.69 H ATOM 1595 HB3BGLU B 40 1.357 11.313 -14.913 0.36 10.12 H ATOM 1596 HG2AGLU B 40 2.413 9.490 -13.019 0.64 12.01 H ATOM 1597 HG2BGLU B 40 2.404 9.416 -13.120 0.36 12.41 H ATOM 1598 HG3AGLU B 40 3.291 10.428 -13.947 0.64 12.01 H ATOM 1599 HG3BGLU B 40 3.227 10.139 -14.272 0.36 12.41 H ATOM 1600 N TYR B 41 -1.908 10.404 -14.901 1.00 7.31 N ANISOU 1600 N TYR B 41 1534 530 712 206 -45 20 N ATOM 1601 CA TYR B 41 -3.011 10.795 -15.771 1.00 7.37 C ANISOU 1601 CA TYR B 41 1472 596 734 388 -109 61 C ATOM 1602 C TYR B 41 -4.155 11.427 -14.976 1.00 9.02 C ANISOU 1602 C TYR B 41 1698 956 773 376 -268 110 C ATOM 1603 O TYR B 41 -4.855 12.300 -15.466 1.00 10.24 O ANISOU 1603 O TYR B 41 1960 1136 794 629 -193 58 O ATOM 1604 CB TYR B 41 -3.513 9.567 -16.512 1.00 7.68 C ANISOU 1604 CB TYR B 41 1337 823 756 187 -142 63 C ATOM 1605 CG TYR B 41 -4.663 9.812 -17.462 1.00 8.61 C ANISOU 1605 CG TYR B 41 1473 932 869 108 16 109 C ATOM 1606 CD1 TYR B 41 -4.469 10.456 -18.679 1.00 9.31 C ANISOU 1606 CD1 TYR B 41 1505 1108 925 185 42 145 C ATOM 1607 CD2 TYR B 41 -5.938 9.377 -17.153 1.00 11.23 C ANISOU 1607 CD2 TYR B 41 1610 1657 999 109 -94 265 C ATOM 1608 CE1 TYR B 41 -5.531 10.680 -19.554 1.00 10.54 C ANISOU 1608 CE1 TYR B 41 1556 1442 1007 301 -52 126 C ATOM 1609 CE2 TYR B 41 -6.998 9.588 -18.019 1.00 12.48 C ANISOU 1609 CE2 TYR B 41 1588 2053 1101 -4 -162 367 C ATOM 1610 CZ TYR B 41 -6.783 10.239 -19.215 1.00 11.85 C ANISOU 1610 CZ TYR B 41 1466 1935 1103 89 -196 217 C ATOM 1611 OH TYR B 41 -7.836 10.442 -20.072 1.00 14.67 O ANISOU 1611 OH TYR B 41 1749 2571 1256 251 -218 294 O ATOM 1612 H ATYR B 41 -1.750 9.558 -14.892 0.50 8.77 H ATOM 1613 H BTYR B 41 -1.803 9.553 -14.833 0.50 8.77 H ATOM 1614 HA TYR B 41 -2.693 11.447 -16.429 1.00 8.85 H ATOM 1615 HB2 TYR B 41 -2.779 9.201 -17.030 1.00 9.21 H ATOM 1616 HB3 TYR B 41 -3.807 8.913 -15.859 1.00 9.21 H ATOM 1617 HD1 TYR B 41 -3.619 10.757 -18.906 1.00 11.17 H ATOM 1618 HD2 TYR B 41 -6.087 8.939 -16.346 1.00 13.48 H ATOM 1619 HE1 TYR B 41 -5.389 11.114 -20.364 1.00 12.65 H ATOM 1620 HE2 TYR B 41 -7.851 9.292 -17.794 1.00 14.97 H ATOM 1621 HH TYR B 41 -8.414 10.893 -19.704 1.00 17.61 H ATOM 1622 N PHE B 42 -4.364 10.968 -13.748 1.00 9.52 N ANISOU 1622 N PHE B 42 1580 1135 902 518 14 -29 N ATOM 1623 CA PHE B 42 -5.494 11.439 -12.967 1.00 12.88 C ANISOU 1623 CA PHE B 42 2038 1633 1223 939 224 68 C ATOM 1624 C PHE B 42 -5.134 12.580 -12.007 1.00 15.35 C ANISOU 1624 C PHE B 42 2750 1693 1390 1203 53 -93 C ATOM 1625 O PHE B 42 -5.965 12.973 -11.194 1.00 18.40 O ANISOU 1625 O PHE B 42 3359 2236 1397 1281 392 -139 O ATOM 1626 CB PHE B 42 -6.204 10.251 -12.282 1.00 14.48 C ANISOU 1626 CB PHE B 42 1946 2135 1422 952 542 212 C ATOM 1627 CG PHE B 42 -6.979 9.378 -13.258 1.00 16.93 C ANISOU 1627 CG PHE B 42 2122 2543 1768 408 544 30 C ATOM 1628 CD1 PHE B 42 -8.096 9.879 -13.906 1.00 18.30 C ANISOU 1628 CD1 PHE B 42 2273 2849 1832 143 569 7 C ATOM 1629 CD2 PHE B 42 -6.565 8.091 -13.567 1.00 19.74 C ANISOU 1629 CD2 PHE B 42 2735 2838 1929 13 177 -7 C ATOM 1630 CE1 PHE B 42 -8.807 9.105 -14.805 1.00 18.96 C ANISOU 1630 CE1 PHE B 42 2341 2927 1934 -174 543 20 C ATOM 1631 CE2 PHE B 42 -7.282 7.307 -14.480 1.00 19.94 C ANISOU 1631 CE2 PHE B 42 2640 2920 2016 2 114 77 C ATOM 1632 CZ PHE B 42 -8.398 7.825 -15.097 1.00 19.20 C ANISOU 1632 CZ PHE B 42 2426 2859 2010 -206 386 119 C ATOM 1633 H PHE B 42 -3.869 10.389 -13.349 1.00 11.42 H ATOM 1634 HA PHE B 42 -6.143 11.813 -13.598 1.00 15.46 H ATOM 1635 HB2 PHE B 42 -5.539 9.695 -11.847 1.00 17.38 H ATOM 1636 HB3 PHE B 42 -6.829 10.594 -11.625 1.00 17.38 H ATOM 1637 HD1 PHE B 42 -8.385 10.742 -13.716 1.00 21.96 H ATOM 1638 HD2 PHE B 42 -5.813 7.738 -13.150 1.00 23.69 H ATOM 1639 HE1 PHE B 42 -9.560 9.457 -15.222 1.00 22.75 H ATOM 1640 HE2 PHE B 42 -7.002 6.441 -14.673 1.00 23.93 H ATOM 1641 HZ PHE B 42 -8.878 7.308 -15.704 1.00 23.04 H ATOM 1642 N GLN B 43 -3.930 13.144 -12.140 1.00 15.16 N ANISOU 1642 N GLN B 43 2774 1422 1566 993 -338 -362 N ATOM 1643 CA GLN B 43 -3.581 14.408 -11.468 1.00 17.89 C ANISOU 1643 CA GLN B 43 3364 1556 1875 1007 -431 -500 C ATOM 1644 C GLN B 43 -4.430 15.558 -12.018 1.00 19.97 C ANISOU 1644 C GLN B 43 3690 1738 2160 1194 -357 -464 C ATOM 1645 O GLN B 43 -5.051 15.452 -13.085 1.00 21.79 O ANISOU 1645 O GLN B 43 4105 1852 2322 1344 -552 -291 O ATOM 1646 CB GLN B 43 -2.112 14.799 -11.702 1.00 17.65 C ANISOU 1646 CB GLN B 43 3477 1354 1874 895 -634 -334 C ATOM 1647 CG GLN B 43 -1.055 13.809 -11.276 1.00 18.07 C ANISOU 1647 CG GLN B 43 3601 1368 1896 757 -508 -216 C ATOM 1648 CD GLN B 43 -0.942 13.687 -9.788 1.00 16.48 C ANISOU 1648 CD GLN B 43 3341 1015 1907 432 -419 -292 C ATOM 1649 OE1 GLN B 43 -1.249 12.625 -9.228 1.00 19.44 O ANISOU 1649 OE1 GLN B 43 3809 1591 1985 356 -403 -293 O ATOM 1650 NE2 GLN B 43 -0.487 14.759 -9.125 1.00 18.61 N ANISOU 1650 NE2 GLN B 43 3897 1235 1940 312 -638 -417 N ATOM 1651 H GLN B 43 -3.293 12.816 -12.616 1.00 18.20 H ATOM 1652 HA GLN B 43 -3.740 14.328 -10.504 1.00 21.46 H ATOM 1653 HB2 GLN B 43 -1.990 14.954 -12.652 1.00 21.18 H ATOM 1654 HB3 GLN B 43 -1.940 15.624 -11.220 1.00 21.18 H ATOM 1655 HG2 GLN B 43 -1.278 12.935 -11.632 1.00 21.68 H ATOM 1656 HG3 GLN B 43 -0.195 14.098 -11.619 1.00 21.68 H ATOM 1657 HE21 GLN B 43 -0.276 15.473 -9.556 1.00 22.33 H ATOM 1658 HE22 GLN B 43 -0.406 14.733 -8.270 1.00 22.33 H ATOM 1659 N GLN B 44 -4.414 16.680 -11.308 1.00 21.40 N ANISOU 1659 N GLN B 44 4058 1754 2320 1254 -247 -319 N ATOM 1660 CA GLN B 44 -5.145 17.867 -11.736 1.00 21.12 C ANISOU 1660 CA GLN B 44 3838 1767 2420 1303 -281 -195 C ATOM 1661 C GLN B 44 -4.287 18.754 -12.635 1.00 21.94 C ANISOU 1661 C GLN B 44 3509 2435 2391 1272 -485 -119 C ATOM 1662 O GLN B 44 -3.111 18.981 -12.352 1.00 23.21 O ANISOU 1662 O GLN B 44 3286 3116 2418 1303 -622 -40 O ATOM 1663 CB GLN B 44 -5.602 18.672 -10.517 1.00 24.57 C ANISOU 1663 CB GLN B 44 4657 2139 2538 844 -191 -182 C ATOM 1664 CG GLN B 44 -6.596 17.949 -9.621 1.00 27.57 C ANISOU 1664 CG GLN B 44 5316 2531 2629 407 -60 -141 C ATOM 1665 CD GLN B 44 -7.953 17.760 -10.283 1.00 31.01 C ANISOU 1665 CD GLN B 44 6007 3070 2707 25 76 -12 C ATOM 1666 OE1 GLN B 44 -8.199 18.256 -11.382 1.00 32.47 O ANISOU 1666 OE1 GLN B 44 6193 3389 2756 -147 76 -4 O ATOM 1667 NE2 GLN B 44 -8.842 17.038 -9.611 1.00 32.73 N ANISOU 1667 NE2 GLN B 44 6403 3295 2736 -106 190 64 N ATOM 1668 H GLN B 44 -3.985 16.781 -10.569 1.00 25.68 H ATOM 1669 HA GLN B 44 -5.940 17.594 -12.241 1.00 25.35 H ATOM 1670 HB2 GLN B 44 -4.824 18.888 -9.979 1.00 29.48 H ATOM 1671 HB3 GLN B 44 -6.023 19.489 -10.825 1.00 29.48 H ATOM 1672 HG2 GLN B 44 -6.245 17.072 -9.401 1.00 33.09 H ATOM 1673 HG3 GLN B 44 -6.727 18.466 -8.811 1.00 33.09 H ATOM 1674 HE21 GLN B 44 -8.636 16.707 -8.844 1.00 39.27 H ATOM 1675 HE22 GLN B 44 -9.624 16.902 -9.942 1.00 39.27 H ATOM 1676 N SER B 45 -4.877 19.262 -13.714 1.00 21.02 N ANISOU 1676 N SER B 45 3374 2285 2328 1340 -480 -154 N ATOM 1677 CA SER B 45 -4.203 20.252 -14.543 1.00 20.91 C ANISOU 1677 CA SER B 45 3317 2376 2253 1276 -426 -197 C ATOM 1678 C SER B 45 -4.242 21.616 -13.888 1.00 19.80 C ANISOU 1678 C SER B 45 2990 2331 2203 729 -341 -147 C ATOM 1679 O SER B 45 -3.267 22.364 -13.941 1.00 21.38 O ANISOU 1679 O SER B 45 3056 2864 2203 289 -178 36 O ATOM 1680 CB SER B 45 -4.859 20.347 -15.919 1.00 22.29 C ANISOU 1680 CB SER B 45 3617 2582 2271 1578 -379 -293 C ATOM 1681 OG SER B 45 -4.467 19.264 -16.732 1.00 24.43 O ANISOU 1681 OG SER B 45 3953 3022 2309 1656 -262 -327 O ATOM 1682 H SER B 45 -5.665 19.050 -13.985 1.00 25.22 H ATOM 1683 HA SER B 45 -3.265 19.992 -14.664 1.00 25.10 H ATOM 1684 HB2 SER B 45 -5.823 20.329 -15.811 1.00 26.75 H ATOM 1685 HB3 SER B 45 -4.587 21.175 -16.343 1.00 26.75 H ATOM 1686 HG SER B 45 -4.824 19.322 -17.468 1.00 29.32 H ATOM 1687 N ASP B 46 -5.377 21.938 -13.273 1.00 18.80 N ANISOU 1687 N ASP B 46 2912 2029 2202 1025 -187 -223 N ATOM 1688 CA ASP B 46 -5.615 23.281 -12.762 1.00 19.73 C ANISOU 1688 CA ASP B 46 3355 2005 2135 635 27 -271 C ATOM 1689 C ASP B 46 -5.397 23.363 -11.262 1.00 22.13 C ANISOU 1689 C ASP B 46 4124 2113 2172 451 47 -99 C ATOM 1690 O ASP B 46 -5.478 22.353 -10.551 1.00 23.87 O ANISOU 1690 O ASP B 46 4410 2474 2187 322 65 69 O ATOM 1691 CB ASP B 46 -7.041 23.727 -13.095 1.00 19.14 C ANISOU 1691 CB ASP B 46 3240 1969 2065 836 87 -370 C ATOM 1692 CG ASP B 46 -7.348 23.618 -14.572 1.00 19.25 C ANISOU 1692 CG ASP B 46 3348 1890 2076 803 356 -532 C ATOM 1693 OD1 ASP B 46 -6.940 24.526 -15.289 1.00 17.50 O ANISOU 1693 OD1 ASP B 46 2919 1718 2013 700 514 -522 O ATOM 1694 OD2 ASP B 46 -7.961 22.621 -15.017 1.00 21.65 O ANISOU 1694 OD2 ASP B 46 3761 2307 2156 494 369 -375 O ATOM 1695 OXT ASP B 46 -5.145 24.458 -10.740 1.00 23.65 O ANISOU 1695 OXT ASP B 46 4505 2273 2209 441 45 -118 O ATOM 1696 H ASP B 46 -6.028 21.392 -13.140 1.00 22.56 H ATOM 1697 HA ASP B 46 -4.992 23.902 -13.194 1.00 23.67 H ATOM 1698 HB2 ASP B 46 -7.669 23.167 -12.614 1.00 22.97 H ATOM 1699 HB3 ASP B 46 -7.152 24.655 -12.833 1.00 22.97 H TER 1700 ASP B 46 HETATM 1701 ZN ZN A 101 -2.253 8.346 -7.371 1.00 8.66 ZN ANISOU 1701 ZN ZN A 101 1191 1466 635 -177 0 -85 ZN HETATM 1702 O1 TLA A 102 -1.832 1.196 -7.158 1.00 17.27 O HETATM 1703 O11 TLA A 102 -3.828 1.878 -7.833 1.00 20.36 O HETATM 1704 C1 TLA A 102 -2.640 2.081 -7.492 1.00 17.13 C HETATM 1705 C2 TLA A 102 -2.157 3.508 -7.420 1.00 13.31 C HETATM 1706 O2 TLA A 102 -0.730 3.552 -7.177 1.00 13.67 O HETATM 1707 C3 TLA A 102 -2.797 4.392 -6.368 1.00 13.80 C HETATM 1708 O3 TLA A 102 -2.657 3.775 -5.077 1.00 14.35 O HETATM 1709 C4 TLA A 102 -2.335 5.795 -6.433 1.00 11.49 C HETATM 1710 O4 TLA A 102 -1.682 6.257 -5.454 1.00 12.92 O HETATM 1711 O41 TLA A 102 -2.566 6.426 -7.496 1.00 11.65 O HETATM 1712 H2 TLA A 102 -2.388 3.976 -8.414 1.00 15.97 H HETATM 1713 HA TLA A 102 -0.416 2.710 -7.492 1.00 16.40 H HETATM 1714 H3 TLA A 102 -3.909 4.385 -6.563 1.00 16.56 H HETATM 1715 HB TLA A 102 -2.103 3.003 -5.189 1.00 17.22 H HETATM 1716 S01 UNL A 103 -9.598 2.559 7.121 1.00 18.42 S HETATM 1717 C02 UNL A 103 -8.707 2.320 8.555 1.00 3.88 C HETATM 1718 O03 UNL A 103 -9.471 1.613 9.463 1.00 22.99 O HETATM 1719 C04 UNL A 103 -7.645 1.530 8.227 1.00 14.45 C HETATM 1720 C05 UNL A 103 -6.871 1.459 9.351 1.00 5.51 C HETATM 1721 O06 UNL A 103 -5.898 2.186 9.359 1.00 21.94 O HETATM 1722 O07 UNL A 103 -8.330 3.530 9.120 1.00 22.55 O HETATM 1723 H011 UNL A 103 -10.766 2.036 7.513 1.00 22.10 H HETATM 1724 H031 UNL A 103 -9.249 1.868 10.360 1.00 27.59 H HETATM 1725 H041 UNL A 103 -7.074 1.946 7.371 1.00 17.34 H HETATM 1726 H042 UNL A 103 -8.002 0.526 7.925 1.00 17.34 H HETATM 1727 H051 UNL A 103 -7.378 1.121 10.272 1.00 6.62 H HETATM 1728 H071 UNL A 103 -7.872 3.379 9.948 1.00 27.07 H HETATM 1729 ZN ZN B 101 -7.590 -5.732 -17.154 1.00 8.45 ZN ANISOU 1729 ZN ZN B 101 1264 764 1182 43 360 -41 ZN HETATM 1730 O HOH A 201 -10.212 11.679 5.036 0.70 19.18 O HETATM 1731 O HOH A 202 -15.516 3.791 -14.273 1.00 8.79 O HETATM 1732 O HOH A 203 -9.548 -5.230 -8.191 1.00 29.54 O HETATM 1733 O HOH A 204 -15.400 1.422 -15.557 1.00 9.67 O HETATM 1734 O HOH A 205 -10.321 9.151 3.698 0.61 10.85 O HETATM 1735 O HOH A 206 -0.701 -0.638 2.069 0.62 19.02 O HETATM 1736 O HOH A 207 -6.247 -3.562 -2.674 0.55 18.29 O HETATM 1737 O HOH A 208 -1.218 9.964 -0.979 0.87 9.87 O HETATM 1738 O HOH A 209 -4.896 -1.892 7.934 0.97 27.98 O HETATM 1739 O HOH A 210 -19.094 2.035 -12.589 0.92 10.30 O HETATM 1740 O HOH A 211 -0.667 12.283 -5.136 1.00 14.53 O HETATM 1741 O HOH A 212 -11.005 8.934 0.950 1.00 10.42 O HETATM 1742 O HOH A 213 -6.808 -6.363 -22.637 1.00 31.75 O HETATM 1743 O HOH A 214 -16.308 1.049 -18.141 0.98 13.46 O HETATM 1744 O HOH A 215 -6.523 -2.004 -22.712 1.00 12.03 O HETATM 1745 O HOH A 216 -18.349 7.050 -19.855 1.00 15.53 O HETATM 1746 O HOH A 217 -6.701 13.654 -3.505 1.00 21.82 O HETATM 1747 O HOH A 218 -16.830 2.481 -20.497 1.00 24.19 O HETATM 1748 O HOH A 219 -13.483 -5.446 -14.026 1.00 21.86 O HETATM 1749 O HOH A 220 -14.523 2.426 -22.295 0.73 23.13 O HETATM 1750 O HOH A 221 -10.208 -6.488 -10.554 0.90 31.19 O HETATM 1751 O HOH A 222 -11.136 2.358 -23.868 0.98 31.42 O HETATM 1752 O HOH A 223 -12.943 -1.180 3.589 0.99 22.76 O HETATM 1753 O HOH A 224 -18.236 -2.022 -4.802 0.87 34.39 O HETATM 1754 O HOH A 225 -16.133 -2.362 -2.344 1.00 39.15 O HETATM 1755 O HOH A 226 -7.461 12.282 -8.956 1.00 19.81 O HETATM 1756 O HOH A 227 -11.807 0.943 6.661 0.91 12.34 O HETATM 1757 O HOH A 228 -1.936 -1.101 -5.804 0.95 35.57 O HETATM 1758 O AHOH A 229 -6.247 4.530 10.353 0.47 12.05 O HETATM 1759 O BHOH A 229 -5.412 4.161 10.818 0.53 18.45 O HETATM 1760 O HOH A 230 -11.277 14.162 -8.569 1.00 19.03 O HETATM 1761 O AHOH A 231 -8.019 13.059 4.137 0.53 13.23 O HETATM 1762 O BHOH A 231 -7.153 13.492 3.674 0.47 13.58 O HETATM 1763 O HOH A 232 -6.096 -5.130 -8.095 1.00 26.76 O HETATM 1764 O HOH A 233 -7.320 -4.315 5.145 1.00 29.58 O HETATM 1765 O HOH A 234 -3.502 -0.191 2.121 1.00 24.42 O HETATM 1766 O HOH A 235 -14.764 15.930 -9.231 0.86 23.02 O HETATM 1767 O HOH A 236 -2.554 -0.585 -0.187 0.95 26.49 O HETATM 1768 O HOH A 237 -0.167 3.130 -3.892 1.00 23.88 O HETATM 1769 O HOH A 238 -0.689 1.027 -1.582 1.00 32.15 O HETATM 1770 O HOH A 239 -14.094 1.180 2.985 1.00 22.76 O HETATM 1771 O HOH A 240 -4.916 13.751 7.676 0.76 17.35 O HETATM 1772 O HOH A 241 -6.978 14.579 6.086 0.68 17.67 O HETATM 1773 O HOH A 242 -13.074 2.326 0.820 0.68 18.85 O HETATM 1774 O HOH A 243 -17.804 5.116 -21.003 0.86 23.15 O HETATM 1775 O HOH A 244 -14.906 -4.933 -33.283 0.82 21.09 O HETATM 1776 O HOH A 245 -11.633 4.342 -22.673 0.57 20.98 O HETATM 1777 O HOH A 246 -3.996 14.561 -2.574 0.68 23.85 O HETATM 1778 O HOH A 247 -3.369 -3.215 3.354 1.00 33.35 O HETATM 1779 O HOH A 248 -5.270 -2.849 5.467 0.92 25.69 O HETATM 1780 O HOH A 249 -13.766 -7.984 -19.094 1.00 41.77 O HETATM 1781 O HOH A 250 -7.741 -2.720 -25.414 0.55 22.02 O HETATM 1782 O HOH A 251 -8.326 15.566 -3.314 0.94 32.07 O HETATM 1783 O HOH A 252 -8.940 -6.725 -21.082 1.00 31.07 O HETATM 1784 O HOH A 253 -6.710 -2.509 -14.139 1.00 22.01 O HETATM 1785 O HOH A 254 -3.193 13.273 -0.087 1.00 30.19 O HETATM 1786 O HOH A 255 -6.124 15.187 1.569 1.00 32.60 O HETATM 1787 O HOH A 256 -3.151 16.226 8.320 1.00 32.04 O HETATM 1788 O HOH A 257 -12.638 12.882 -17.127 1.00 34.75 O HETATM 1789 O HOH A 258 -12.915 -4.596 0.337 1.00 36.59 O HETATM 1790 O AHOH B 201 -4.424 -0.865 -26.608 0.55 11.21 O HETATM 1791 O BHOH B 201 -3.781 -1.605 -26.780 0.45 11.12 O HETATM 1792 O HOH B 202 -3.887 -3.671 -27.594 1.00 22.57 O HETATM 1793 O HOH B 203 5.970 9.645 -12.887 0.89 13.42 O HETATM 1794 O HOH B 204 5.293 -1.563 -21.567 0.73 20.68 O HETATM 1795 O HOH B 205 -5.093 -12.900 -20.652 0.67 14.96 O HETATM 1796 O HOH B 206 -1.848 19.617 -10.246 0.99 26.04 O HETATM 1797 O HOH B 207 -6.998 9.070 -26.366 1.00 27.74 O HETATM 1798 O HOH B 208 8.045 -12.786 -17.019 1.00 23.60 O HETATM 1799 O AHOH B 209 -4.553 -3.011 -12.031 0.53 13.10 O HETATM 1800 O BHOH B 209 -3.722 -3.488 -11.843 0.47 15.95 O HETATM 1801 O HOH B 210 -7.097 4.707 -29.595 0.92 25.86 O HETATM 1802 O HOH B 211 5.267 8.349 -21.734 0.65 16.78 O HETATM 1803 O HOH B 212 -5.036 -15.608 -20.255 0.77 14.33 O HETATM 1804 O AHOH B 213 -6.505 6.643 -25.885 0.35 8.11 O HETATM 1805 O BHOH B 213 -6.850 6.221 -26.710 0.65 19.49 O HETATM 1806 O HOH B 214 -5.139 -7.634 -24.482 0.87 29.01 O HETATM 1807 O HOH B 215 3.082 2.338 -9.399 0.66 11.33 O HETATM 1808 O HOH B 216 -3.548 16.305 -8.410 1.00 29.60 O HETATM 1809 O HOH B 217 5.750 2.068 -9.812 1.00 15.01 O HETATM 1810 O HOH B 218 2.978 -1.221 -23.093 0.97 15.94 O HETATM 1811 O HOH B 219 5.870 -17.092 -12.782 1.00 25.93 O HETATM 1812 O HOH B 220 0.042 -16.204 -16.322 1.00 17.45 O HETATM 1813 O HOH B 221 -2.588 24.981 -9.326 0.89 24.79 O HETATM 1814 O HOH B 222 -7.871 12.714 -15.932 1.00 34.26 O HETATM 1815 O AHOH B 223 2.666 1.204 -26.138 0.71 17.85 O HETATM 1816 O BHOH B 223 2.441 2.516 -25.478 0.29 8.24 O HETATM 1817 O HOH B 224 2.388 8.572 -23.628 1.00 24.92 O HETATM 1818 O HOH B 225 -3.400 21.380 -8.821 1.00 38.54 O HETATM 1819 O HOH B 226 5.978 0.326 -19.712 0.65 12.62 O HETATM 1820 O HOH B 227 -10.190 7.818 -26.293 1.00 27.49 O HETATM 1821 O HOH B 228 -2.742 12.656 -6.754 0.83 16.51 O HETATM 1822 O HOH B 229 6.993 9.203 -23.994 1.00 35.51 O HETATM 1823 O HOH B 230 -5.401 12.902 -6.163 1.00 24.84 O HETATM 1824 O HOH B 231 -7.870 20.333 -13.331 1.00 30.51 O HETATM 1825 O HOH B 232 -4.457 17.152 -31.647 0.69 14.27 O HETATM 1826 O HOH B 233 -3.135 -4.517 -14.139 0.32 8.88 O HETATM 1827 O AHOH B 234 8.709 -8.312 -11.480 0.39 16.81 O HETATM 1828 O BHOH B 234 7.741 -8.830 -10.845 0.61 21.20 O HETATM 1829 O HOH B 235 6.896 -15.325 -14.228 1.00 31.69 O HETATM 1830 O HOH B 236 -10.238 21.601 -14.504 0.94 39.92 O HETATM 1831 O HOH B 237 8.629 -8.339 -23.455 0.74 34.29 O HETATM 1832 O AHOH B 238 -5.407 15.309 -24.541 0.34 17.96 O HETATM 1833 O BHOH B 238 -4.785 15.975 -25.364 0.66 30.00 O HETATM 1834 O HOH B 239 -10.538 3.922 -26.800 1.00 34.42 O HETATM 1835 O HOH B 240 2.546 -5.489 -9.156 0.87 20.95 O HETATM 1836 O HOH B 241 2.594 0.534 -7.383 0.58 15.31 O HETATM 1837 O HOH B 242 2.377 1.462 -22.933 0.76 10.41 O CONECT 208 1701 CONECT 283 1701 CONECT 685 1729 CONECT 1038 1729 CONECT 1130 1729 CONECT 1559 1701 CONECT 1701 208 283 1559 1711 CONECT 1702 1704 CONECT 1703 1704 CONECT 1704 1702 1703 1705 CONECT 1705 1704 1706 1707 1712 CONECT 1706 1705 1713 CONECT 1707 1705 1708 1709 1714 CONECT 1708 1707 1715 CONECT 1709 1707 1710 1711 CONECT 1710 1709 CONECT 1711 1701 1709 CONECT 1712 1705 CONECT 1713 1706 CONECT 1714 1707 CONECT 1715 1708 CONECT 1729 685 1038 1130 MASTER 271 0 4 4 0 0 5 6 877 2 22 8 END
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Related entries of code: 3v1c
Entries with 90% protein sequence similarity cutoff in PDBbind
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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
3v1c
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
Computational design, MID1-zinc
Ligand Name
Computational design, MID1-zinc
EC.Number
E.C.-.-.-.-
Resolution
1.13(Å)
Affinity (Kd/Ki/IC50)
Kd=30nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Am.Chem.Soc. Vol. 134: pp. 375-385
Links to External Databases
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The mother database
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Pubchem
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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