diff --git "a/ProteinMPNN/inputs/PDB_monomers/pdbs/6MRR.pdb" "b/ProteinMPNN/inputs/PDB_monomers/pdbs/6MRR.pdb" new file mode 100644--- /dev/null +++ "b/ProteinMPNN/inputs/PDB_monomers/pdbs/6MRR.pdb" @@ -0,0 +1,2142 @@ +HEADER DE NOVO PROTEIN 15-OCT-18 6MRR +TITLE DE NOVO DESIGNED PROTEIN FOLDIT1 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: FOLDIT1; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; +SOURCE 3 ORGANISM_TAXID: 32630; +SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 +KEYWDS DE NOVO PROTEIN, FOLDIT +EXPDTA X-RAY DIFFRACTION +AUTHOR B.KOEPNICK,M.J.BICK,R.D.ESTEP,S.KLEINFELTER,L.WEI,D.BAKER +REVDAT 4 20-NOV-19 6MRR 1 REMARK +REVDAT 3 26-JUN-19 6MRR 1 JRNL +REVDAT 2 19-JUN-19 6MRR 1 JRNL +REVDAT 1 12-JUN-19 6MRR 0 +JRNL AUTH B.KOEPNICK,J.FLATTEN,T.HUSAIN,A.FORD,D.A.SILVA,M.J.BICK, +JRNL AUTH 2 A.BAUER,G.LIU,Y.ISHIDA,A.BOYKOV,R.D.ESTEP,S.KLEINFELTER, +JRNL AUTH 3 T.NORGARD-SOLANO,L.WEI,F.PLAYERS,G.T.MONTELIONE,F.DIMAIO, +JRNL AUTH 4 Z.POPOVIC,F.KHATIB,S.COOPER,D.BAKER +JRNL TITL DE NOVO PROTEIN DESIGN BY CITIZEN SCIENTISTS. +JRNL REF NATURE V. 570 390 2019 +JRNL REFN ESSN 1476-4687 +JRNL PMID 31168091 +JRNL DOI 10.1038/S41586-019-1274-4 +REMARK 2 +REMARK 2 RESOLUTION. 1.18 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX (DEV_3112: ???) +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, +REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, +REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, +REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, +REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, +REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT +REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.18 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.92 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 92.7 +REMARK 3 NUMBER OF REFLECTIONS : 18279 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.150 +REMARK 3 R VALUE (WORKING SET) : 0.146 +REMARK 3 FREE R VALUE : 0.182 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.010 +REMARK 3 FREE R VALUE TEST SET COUNT : 1829 +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 28.9244 - 2.7739 0.97 1364 153 0.1719 0.2144 +REMARK 3 2 2.7739 - 2.2020 0.96 1315 145 0.1598 0.1838 +REMARK 3 3 2.2020 - 1.9237 0.95 1300 145 0.1254 0.1402 +REMARK 3 4 1.9237 - 1.7479 0.95 1288 144 0.1409 0.1734 +REMARK 3 5 1.7479 - 1.6226 0.94 1280 141 0.1255 0.1625 +REMARK 3 6 1.6226 - 1.5269 0.94 1290 144 0.1242 0.1492 +REMARK 3 7 1.5269 - 1.4505 0.93 1243 137 0.1178 0.1563 +REMARK 3 8 1.4505 - 1.3873 0.92 1252 139 0.1232 0.1918 +REMARK 3 9 1.3873 - 1.3339 0.92 1237 139 0.1324 0.1737 +REMARK 3 10 1.3339 - 1.2879 0.91 1253 141 0.1315 0.1703 +REMARK 3 11 1.2879 - 1.2476 0.90 1219 135 0.1369 0.1953 +REMARK 3 12 1.2476 - 1.2120 0.88 1189 132 0.1289 0.2107 +REMARK 3 13 1.2120 - 1.1801 0.88 1220 134 0.1296 0.1712 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : NULL +REMARK 3 SOLVENT RADIUS : 1.11 +REMARK 3 SHRINKAGE RADIUS : 0.90 +REMARK 3 K_SOL : NULL +REMARK 3 B_SOL : NULL +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.080 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.420 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : 0.008 582 +REMARK 3 ANGLE : 0.833 781 +REMARK 3 CHIRALITY : 0.075 86 +REMARK 3 PLANARITY : 0.004 102 +REMARK 3 DIHEDRAL : 18.886 232 +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 6MRR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-OCT-18. +REMARK 100 THE DEPOSITION ID IS D_1000236328. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 30-APR-17 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ALS +REMARK 200 BEAMLINE : 5.0.2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.00000 +REMARK 200 MONOCHROMATOR : DOUBLE-CRYSTAL SI(111) +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : PIXEL +REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 6M +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS JUN 17, 2015 +REMARK 200 DATA SCALING SOFTWARE : XDS JUN 17, 2015 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22566 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.070 +REMARK 200 RESOLUTION RANGE LOW (A) : 43.580 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 85.3 +REMARK 200 DATA REDUNDANCY : 3.200 +REMARK 200 R MERGE (I) : 0.02600 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 18.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.07 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.09 +REMARK 200 COMPLETENESS FOR SHELL (%) : 32.8 +REMARK 200 DATA REDUNDANCY IN SHELL : 2.10 +REMARK 200 R MERGE FOR SHELL (I) : 0.17700 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 2.900 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER 2.8.2. +REMARK 200 STARTING MODEL: COMPUTATIONAL DESIGN GENERATED BY FOLDIT SOFTWARE +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 33.77 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.86 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M POTASSIUM CHLORIDE, 0.05 M +REMARK 280 HEPES, PH 7.5, 35% V/V PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH), +REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291.15K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 21.79200 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4720 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 GLU A 11 CD OE1 OE2 +REMARK 470 GLU A 43 CD OE1 OE2 +REMARK 470 GLU A 51 CD OE1 OE2 +REMARK 470 LYS A 55 CD CE NZ +REMARK 470 LYS A 58 CD CE NZ +REMARK 470 LYS A 59 CE NZ +REMARK 470 LYS A 66 CE NZ +REMARK 470 GLU A 68 CG CD OE1 OE2 +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 HH21 ARG A 47 O HOH A 102 1.55 +REMARK 500 O HOH A 113 O HOH A 178 1.85 +REMARK 500 O HOH A 112 O HOH A 169 1.97 +REMARK 500 O HOH A 104 O HOH A 135 2.04 +REMARK 500 OE1 GLU A 15 O HOH A 101 2.10 +REMARK 500 NH2 ARG A 47 O HOH A 102 2.14 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 O HOH A 168 O HOH A 202 1655 2.19 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 6MRR A 1 68 PDB 6MRR 6MRR 1 68 +SEQRES 1 A 68 GLY TRP SER THR GLU LEU GLU LYS HIS ARG GLU GLU LEU +SEQRES 2 A 68 LYS GLU PHE LEU LYS LYS GLU GLY ILE THR ASN VAL GLU +SEQRES 3 A 68 ILE ARG ILE ASP ASN GLY ARG LEU GLU VAL ARG VAL GLU +SEQRES 4 A 68 GLY GLY THR GLU ARG LEU LYS ARG PHE LEU GLU GLU LEU +SEQRES 5 A 68 ARG GLN LYS LEU GLU LYS LYS GLY TYR THR VAL ASP ILE +SEQRES 6 A 68 LYS ILE GLU +FORMUL 2 HOH *116(H2 O) +HELIX 1 AA1 SER A 3 GLY A 21 1 19 +HELIX 2 AA2 THR A 42 LYS A 59 1 18 +SHEET 1 AA1 3 VAL A 25 ASP A 30 0 +SHEET 2 AA1 3 ARG A 33 VAL A 38 -1 O GLU A 35 N ARG A 28 +SHEET 3 AA1 3 THR A 62 ILE A 67 1 O ASP A 64 N LEU A 34 +CRYST1 24.045 43.584 29.276 90.00 99.00 90.00 P 1 21 1 2 +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 0.041589 0.000000 0.006586 0.00000 +SCALE2 0.000000 0.022944 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.034583 0.00000 +ATOM 1 N GLY A 1 -15.113 4.641 12.533 1.00 27.22 N +ANISOU 1 N GLY A 1 3555 3237 3550 -162 451 539 N +ATOM 2 CA GLY A 1 -15.455 3.353 11.854 1.00 28.17 C +ANISOU 2 CA GLY A 1 4001 3362 3341 165 535 294 C +ATOM 3 C GLY A 1 -14.525 3.068 10.696 1.00 27.96 C +ANISOU 3 C GLY A 1 4224 3376 3024 559 219 381 C +ATOM 4 O GLY A 1 -14.897 2.519 9.662 1.00 32.98 O +ANISOU 4 O GLY A 1 4911 4004 3617 662 286 164 O +ATOM 5 H1 GLY A 1 -15.758 4.853 13.108 1.00 32.67 H +ATOM 6 H2 GLY A 1 -14.343 4.550 12.971 1.00 32.67 H +ATOM 7 H3 GLY A 1 -15.033 5.285 11.924 1.00 32.67 H +ATOM 8 HA2 GLY A 1 -15.388 2.624 12.490 1.00 33.81 H +ATOM 9 HA3 GLY A 1 -16.363 3.397 11.517 1.00 33.81 H +ATOM 10 N TRP A 2 -13.275 3.420 10.930 1.00 22.10 N +ANISOU 10 N TRP A 2 3559 2510 2329 576 1223 682 N +ATOM 11 CA TRP A 2 -12.239 3.522 9.924 1.00 17.82 C +ANISOU 11 CA TRP A 2 3554 1697 1521 839 1047 330 C +ATOM 12 C TRP A 2 -11.128 2.581 10.337 1.00 14.37 C +ANISOU 12 C TRP A 2 3084 1326 1049 387 674 156 C +ATOM 13 O TRP A 2 -10.680 2.634 11.485 1.00 15.93 O +ANISOU 13 O TRP A 2 3613 1263 1178 259 752 52 O +ATOM 14 CB TRP A 2 -11.790 4.966 10.017 1.00 17.81 C +ANISOU 14 CB TRP A 2 3867 1479 1420 739 938 220 C +ATOM 15 CG TRP A 2 -10.916 5.383 8.993 1.00 18.71 C +ANISOU 15 CG TRP A 2 3949 1402 1759 159 1170 -147 C +ATOM 16 CD1 TRP A 2 -9.568 5.355 9.031 1.00 21.78 C +ANISOU 16 CD1 TRP A 2 4291 1368 2614 -54 733 -483 C +ATOM 17 CD2 TRP A 2 -11.286 5.937 7.730 1.00 19.76 C +ANISOU 17 CD2 TRP A 2 4315 1392 1802 -306 888 10 C +ATOM 18 NE1 TRP A 2 -9.061 5.845 7.864 1.00 20.71 N +ANISOU 18 NE1 TRP A 2 4359 1424 2086 -270 546 59 N +ATOM 19 CE2 TRP A 2 -10.096 6.225 7.049 1.00 19.92 C +ANISOU 19 CE2 TRP A 2 4177 1450 1943 -368 907 -60 C +ATOM 20 CE3 TRP A 2 -12.509 6.228 7.114 1.00 20.03 C +ANISOU 20 CE3 TRP A 2 4419 1584 1607 -327 895 120 C +ATOM 21 CZ2 TRP A 2 -10.083 6.769 5.768 1.00 19.94 C +ANISOU 21 CZ2 TRP A 2 4223 1773 1582 -557 926 73 C +ATOM 22 CZ3 TRP A 2 -12.496 6.781 5.846 1.00 21.85 C +ANISOU 22 CZ3 TRP A 2 4692 1883 1725 -383 690 160 C +ATOM 23 CH2 TRP A 2 -11.291 7.047 5.189 1.00 20.85 C +ANISOU 23 CH2 TRP A 2 4546 1870 1505 -376 778 203 C +ATOM 24 H TRP A 2 -12.987 3.617 11.716 1.00 26.53 H +ATOM 25 HA TRP A 2 -12.501 3.281 9.022 1.00 21.39 H +ATOM 26 HB2 TRP A 2 -12.575 5.535 9.980 1.00 21.37 H +ATOM 27 HB3 TRP A 2 -11.330 5.091 10.862 1.00 21.37 H +ATOM 28 HD1 TRP A 2 -9.060 5.046 9.747 1.00 26.13 H +ATOM 29 HE1 TRP A 2 -8.226 5.907 7.671 1.00 24.85 H +ATOM 30 HE3 TRP A 2 -13.313 6.052 7.548 1.00 24.04 H +ATOM 31 HZ2 TRP A 2 -9.284 6.937 5.323 1.00 23.94 H +ATOM 32 HZ3 TRP A 2 -13.301 6.980 5.425 1.00 26.22 H +ATOM 33 HH2 TRP A 2 -11.311 7.422 4.338 1.00 25.02 H +ATOM 34 N SER A 3 -10.741 1.675 9.445 1.00 13.84 N +ANISOU 34 N SER A 3 2689 1257 1311 356 447 -71 N +ATOM 35 CA SER A 3 -9.735 0.662 9.740 1.00 12.56 C +ANISOU 35 CA SER A 3 2295 1313 1164 324 190 -181 C +ATOM 36 C SER A 3 -8.423 1.057 9.074 1.00 13.48 C +ANISOU 36 C SER A 3 2247 1445 1429 310 164 -214 C +ATOM 37 O SER A 3 -8.304 0.991 7.855 1.00 11.86 O +ANISOU 37 O SER A 3 2037 1441 1029 232 205 -87 O +ATOM 38 CB SER A 3 -10.200 -0.692 9.213 1.00 13.32 C +ANISOU 38 CB SER A 3 2290 1400 1369 340 367 -45 C +ATOM 39 OG SER A 3 -9.128 -1.616 9.231 1.00 13.71 O +ANISOU 39 OG SER A 3 2413 1421 1376 384 565 84 O +ATOM 40 H SER A 3 -11.055 1.628 8.646 1.00 16.60 H +ATOM 41 HA SER A 3 -9.594 0.615 10.699 1.00 15.07 H +ATOM 42 HB2 SER A 3 -10.916 -1.024 9.776 1.00 15.98 H +ATOM 43 HB3 SER A 3 -10.515 -0.587 8.301 1.00 15.98 H +ATOM 44 HG SER A 3 -9.400 -2.375 8.996 1.00 16.45 H +ATOM 45 N THR A 4 -7.432 1.448 9.871 1.00 13.28 N +ANISOU 45 N THR A 4 2240 1660 1146 362 68 -459 N +ATOM 46 CA THR A 4 -6.128 1.800 9.322 1.00 15.49 C +ANISOU 46 CA THR A 4 2285 1831 1771 333 -165 -657 C +ATOM 47 C THR A 4 -5.594 0.705 8.401 1.00 12.25 C +ANISOU 47 C THR A 4 1839 1635 1182 377 -74 -52 C +ATOM 48 O THR A 4 -5.143 0.977 7.279 1.00 13.31 O +ANISOU 48 O THR A 4 1917 1428 1712 81 -69 -9 O +ATOM 49 CB THR A 4 -5.173 2.076 10.484 1.00 18.96 C +ANISOU 49 CB THR A 4 2458 2311 2434 362 -209 -918 C +ATOM 50 OG1 THR A 4 -5.658 3.206 11.221 1.00 22.30 O +ANISOU 50 OG1 THR A 4 2951 2633 2889 251 -439 -1323 O +ATOM 51 CG2 THR A 4 -3.774 2.328 9.971 1.00 20.18 C +ANISOU 51 CG2 THR A 4 2746 2528 2393 371 -282 -676 C +ATOM 52 H THR A 4 -7.486 1.517 10.727 1.00 15.94 H +ATOM 53 HA THR A 4 -6.201 2.604 8.783 1.00 18.60 H +ATOM 54 HB THR A 4 -5.127 1.309 11.076 1.00 22.75 H +ATOM 55 HG1 THR A 4 -5.167 3.345 11.889 1.00 26.76 H +ATOM 56 HG21 THR A 4 -3.254 2.798 10.642 1.00 24.22 H +ATOM 57 HG22 THR A 4 -3.338 1.486 9.768 1.00 24.22 H +ATOM 58 HG23 THR A 4 -3.808 2.868 9.165 1.00 24.22 H +ATOM 59 N GLU A 5 -5.644 -0.548 8.854 1.00 12.22 N +ANISOU 59 N GLU A 5 1901 1635 1106 386 20 105 N +ATOM 60 CA GLU A 5 -5.074 -1.624 8.054 1.00 12.49 C +ANISOU 60 CA GLU A 5 2084 1533 1129 597 319 325 C +ATOM 61 C GLU A 5 -5.884 -1.859 6.782 1.00 10.43 C +ANISOU 61 C GLU A 5 1813 1180 970 338 247 178 C +ATOM 62 O GLU A 5 -5.323 -1.971 5.685 1.00 10.52 O +ANISOU 62 O GLU A 5 1713 1286 998 175 232 118 O +ATOM 63 CB GLU A 5 -4.980 -2.908 8.881 1.00 17.22 C +ANISOU 63 CB GLU A 5 2684 2031 1828 871 679 607 C +ATOM 64 CG GLU A 5 -4.395 -4.075 8.113 1.00 21.68 C +ANISOU 64 CG GLU A 5 3057 2643 2537 833 291 269 C +ATOM 65 CD GLU A 5 -2.893 -3.969 7.921 1.00 26.74 C +ANISOU 65 CD GLU A 5 3608 3192 3360 485 557 -476 C +ATOM 66 OE1 GLU A 5 -2.273 -3.034 8.481 1.00 28.97 O +ANISOU 66 OE1 GLU A 5 3524 3409 4076 38 333 -674 O +ATOM 67 OE2 GLU A 5 -2.331 -4.830 7.211 1.00 27.07 O +ANISOU 67 OE2 GLU A 5 3689 3338 3258 788 852 -582 O +ATOM 68 H GLU A 5 -5.993 -0.794 9.601 1.00 14.66 H +ATOM 69 HA GLU A 5 -4.175 -1.371 7.793 1.00 14.99 H +ATOM 70 HB2 GLU A 5 -4.413 -2.743 9.651 1.00 20.67 H +ATOM 71 HB3 GLU A 5 -5.870 -3.159 9.173 1.00 20.67 H +ATOM 72 HG2 GLU A 5 -4.577 -4.895 8.599 1.00 26.02 H +ATOM 73 HG3 GLU A 5 -4.806 -4.112 7.235 1.00 26.02 H +ATOM 74 N LEU A 6 -7.205 -1.960 6.899 1.00 10.13 N +ANISOU 74 N LEU A 6 1784 1321 743 458 382 106 N +ATOM 75 CA LEU A 6 -7.991 -2.219 5.697 1.00 9.72 C +ANISOU 75 CA LEU A 6 1682 1203 808 336 279 -29 C +ATOM 76 C LEU A 6 -7.943 -1.043 4.732 1.00 9.72 C +ANISOU 76 C LEU A 6 1719 1120 855 243 112 28 C +ATOM 77 O LEU A 6 -8.000 -1.245 3.513 1.00 9.94 O +ANISOU 77 O LEU A 6 1979 1117 682 75 193 14 O +ATOM 78 CB LEU A 6 -9.418 -2.631 6.037 1.00 10.58 C +ANISOU 78 CB LEU A 6 1782 1192 1044 309 251 92 C +ATOM 79 CG LEU A 6 -9.549 -4.001 6.711 1.00 10.74 C +ANISOU 79 CG LEU A 6 1880 1017 1183 116 278 213 C +ATOM 80 CD1 LEU A 6 -11.017 -4.241 7.025 1.00 12.07 C +ANISOU 80 CD1 LEU A 6 2037 1160 1388 -69 352 191 C +ATOM 81 CD2 LEU A 6 -8.985 -5.104 5.858 1.00 11.62 C +ANISOU 81 CD2 LEU A 6 2344 846 1224 -55 351 73 C +ATOM 82 H LEU A 6 -7.654 -1.886 7.629 1.00 12.16 H +ATOM 83 HA LEU A 6 -7.606 -2.981 5.236 1.00 11.67 H +ATOM 84 HB2 LEU A 6 -9.792 -1.971 6.641 1.00 12.69 H +ATOM 85 HB3 LEU A 6 -9.933 -2.660 5.216 1.00 12.69 H +ATOM 86 HG LEU A 6 -9.035 -4.014 7.534 1.00 12.89 H +ATOM 87 HD11 LEU A 6 -11.107 -5.094 7.478 1.00 14.48 H +ATOM 88 HD12 LEU A 6 -11.338 -3.527 7.597 1.00 14.48 H +ATOM 89 HD13 LEU A 6 -11.519 -4.252 6.195 1.00 14.48 H +ATOM 90 HD21 LEU A 6 -9.263 -5.959 6.222 1.00 13.94 H +ATOM 91 HD22 LEU A 6 -9.319 -5.005 4.953 1.00 13.94 H +ATOM 92 HD23 LEU A 6 -8.017 -5.042 5.861 1.00 13.94 H +ATOM 93 N GLU A 7 -7.793 0.183 5.237 1.00 10.13 N +ANISOU 93 N GLU A 7 1889 1180 779 200 62 -91 N +ATOM 94 CA GLU A 7 -7.623 1.317 4.337 1.00 11.17 C +ANISOU 94 CA GLU A 7 2238 1102 903 269 -112 -53 C +ATOM 95 C GLU A 7 -6.325 1.210 3.548 1.00 10.11 C +ANISOU 95 C GLU A 7 1906 966 971 129 -82 87 C +ATOM 96 O GLU A 7 -6.273 1.603 2.377 1.00 11.22 O +ANISOU 96 O GLU A 7 2073 1133 1059 241 31 168 O +ATOM 97 CB GLU A 7 -7.670 2.623 5.119 1.00 13.04 C +ANISOU 97 CB GLU A 7 2861 1310 785 525 -14 -67 C +ATOM 98 CG GLU A 7 -9.062 2.972 5.609 1.00 15.43 C +ANISOU 98 CG GLU A 7 3344 1560 959 926 -143 8 C +ATOM 99 CD GLU A 7 -9.986 3.454 4.500 1.00 17.82 C +ANISOU 99 CD GLU A 7 3681 1953 1136 1139 298 50 C +ATOM 100 OE1 GLU A 7 -9.513 4.078 3.516 1.00 19.66 O +ANISOU 100 OE1 GLU A 7 3534 2595 1341 1743 440 358 O +ATOM 101 OE2 GLU A 7 -11.206 3.209 4.625 1.00 18.76 O +ANISOU 101 OE2 GLU A 7 3936 1659 1532 591 -641 -76 O +ATOM 102 H GLU A 7 -7.786 0.380 6.075 1.00 12.16 H +ATOM 103 HA GLU A 7 -8.358 1.321 3.704 1.00 13.40 H +ATOM 104 HB2 GLU A 7 -7.091 2.547 5.894 1.00 15.65 H +ATOM 105 HB3 GLU A 7 -7.365 3.344 4.546 1.00 15.65 H +ATOM 106 HG2 GLU A 7 -9.461 2.183 6.007 1.00 18.52 H +ATOM 107 HG3 GLU A 7 -8.994 3.679 6.269 1.00 18.52 H +ATOM 108 N LYS A 8 -5.260 0.685 4.162 1.00 10.27 N +ANISOU 108 N LYS A 8 1907 1058 937 86 -59 20 N +ATOM 109 CA LYS A 8 -4.025 0.475 3.411 1.00 12.10 C +ANISOU 109 CA LYS A 8 2164 1220 1215 -187 -133 258 C +ATOM 110 C LYS A 8 -4.256 -0.489 2.257 1.00 10.95 C +ANISOU 110 C LYS A 8 1877 1030 1253 69 -83 208 C +ATOM 111 O LYS A 8 -3.814 -0.247 1.129 1.00 11.75 O +ANISOU 111 O LYS A 8 1764 1283 1417 -148 -56 264 O +ATOM 112 CB LYS A 8 -2.920 -0.042 4.333 1.00 13.71 C +ANISOU 112 CB LYS A 8 2186 1675 1347 -159 -269 152 C +ATOM 113 CG LYS A 8 -1.597 -0.271 3.611 1.00 16.48 C +ANISOU 113 CG LYS A 8 2089 2105 2069 162 -131 -63 C +ATOM 114 CD LYS A 8 -0.494 -0.731 4.541 1.00 21.46 C +ANISOU 114 CD LYS A 8 2440 2454 3261 251 -396 -45 C +ATOM 115 CE LYS A 8 -0.767 -2.114 5.082 1.00 24.01 C +ANISOU 115 CE LYS A 8 2583 2757 3782 193 -276 213 C +ATOM 116 NZ LYS A 8 0.424 -2.653 5.793 1.00 26.07 N +ANISOU 116 NZ LYS A 8 2914 3029 3964 72 -73 453 N +ATOM 117 H LYS A 8 -5.227 0.448 4.988 1.00 12.33 H +ATOM 118 HA LYS A 8 -3.730 1.325 3.048 1.00 14.53 H +ATOM 119 HB2 LYS A 8 -2.768 0.608 5.037 1.00 16.45 H +ATOM 120 HB3 LYS A 8 -3.201 -0.887 4.717 1.00 16.45 H +ATOM 121 HG2 LYS A 8 -1.720 -0.953 2.932 1.00 19.78 H +ATOM 122 HG3 LYS A 8 -1.313 0.560 3.198 1.00 19.78 H +ATOM 123 HD2 LYS A 8 0.346 -0.753 4.057 1.00 25.76 H +ATOM 124 HD3 LYS A 8 -0.430 -0.118 5.290 1.00 25.76 H +ATOM 125 HE2 LYS A 8 -1.507 -2.075 5.708 1.00 28.81 H +ATOM 126 HE3 LYS A 8 -0.983 -2.710 4.348 1.00 28.81 H +ATOM 127 HZ1 LYS A 8 0.238 -3.454 6.133 1.00 31.29 H +ATOM 128 HZ2 LYS A 8 1.107 -2.730 5.228 1.00 31.29 H +ATOM 129 HZ3 LYS A 8 0.657 -2.105 6.455 1.00 31.29 H +ATOM 130 N HIS A 9 -4.958 -1.588 2.516 1.00 10.08 N +ANISOU 130 N HIS A 9 1785 827 1219 47 197 201 N +ATOM 131 CA HIS A 9 -5.233 -2.549 1.457 1.00 10.07 C +ANISOU 131 CA HIS A 9 1617 999 1212 92 42 30 C +ATOM 132 C HIS A 9 -6.223 -2.003 0.447 1.00 8.89 C +ANISOU 132 C HIS A 9 1438 943 997 90 68 65 C +ATOM 133 O HIS A 9 -6.118 -2.310 -0.740 1.00 10.04 O +ANISOU 133 O HIS A 9 1798 1122 896 129 257 -88 O +ATOM 134 CB HIS A 9 -5.708 -3.861 2.059 1.00 11.95 C +ANISOU 134 CB HIS A 9 2006 975 1560 109 149 -18 C +ATOM 135 CG HIS A 9 -4.662 -4.514 2.890 1.00 13.02 C +ANISOU 135 CG HIS A 9 1944 1228 1774 412 -105 50 C +ATOM 136 ND1 HIS A 9 -3.620 -5.232 2.346 1.00 17.20 N +ANISOU 136 ND1 HIS A 9 2016 1821 2698 706 107 287 N +ATOM 137 CD2 HIS A 9 -4.469 -4.523 4.227 1.00 14.25 C +ANISOU 137 CD2 HIS A 9 2226 1463 1725 420 -96 -153 C +ATOM 138 CE1 HIS A 9 -2.842 -5.673 3.318 1.00 19.35 C +ANISOU 138 CE1 HIS A 9 2534 1996 2823 941 -299 500 C +ATOM 139 NE2 HIS A 9 -3.332 -5.249 4.468 1.00 19.06 N +ANISOU 139 NE2 HIS A 9 2758 1817 2667 576 -472 106 N +ATOM 140 H HIS A 9 -5.281 -1.799 3.284 1.00 12.10 H +ATOM 141 HA HIS A 9 -4.414 -2.736 0.973 1.00 12.09 H +ATOM 142 HB2 HIS A 9 -6.478 -3.691 2.623 1.00 14.34 H +ATOM 143 HB3 HIS A 9 -5.949 -4.470 1.343 1.00 14.34 H +ATOM 144 HD2 HIS A 9 -5.008 -4.113 4.865 1.00 17.10 H +ATOM 145 HE1 HIS A 9 -2.079 -6.193 3.210 1.00 23.22 H +ATOM 146 HE2 HIS A 9 -2.992 -5.404 5.243 1.00 22.87 H +ATOM 147 N ARG A 10 -7.177 -1.190 0.885 1.00 9.53 N +ANISOU 147 N ARG A 10 1616 1108 899 242 237 43 N +ATOM 148 CA ARG A 10 -8.065 -0.527 -0.059 1.00 9.72 C +ANISOU 148 CA ARG A 10 1676 1121 896 270 203 135 C +ATOM 149 C ARG A 10 -7.273 0.337 -1.032 1.00 9.67 C +ANISOU 149 C ARG A 10 1694 1112 870 227 138 5 C +ATOM 150 O ARG A 10 -7.536 0.331 -2.241 1.00 10.33 O +ANISOU 150 O ARG A 10 1674 1274 979 200 245 34 O +ATOM 151 CB ARG A 10 -9.054 0.339 0.710 1.00 9.77 C +ANISOU 151 CB ARG A 10 1534 1176 1002 222 127 99 C +ATOM 152 CG ARG A 10 -10.175 0.920 -0.144 1.00 9.73 C +ANISOU 152 CG ARG A 10 1580 1367 748 269 253 -47 C +ATOM 153 CD ARG A 10 -10.927 2.017 0.630 1.00 11.45 C +ANISOU 153 CD ARG A 10 1670 1474 1204 299 124 77 C +ATOM 154 NE ARG A 10 -12.240 2.323 0.059 1.00 10.87 N +ANISOU 154 NE ARG A 10 1696 1269 1166 206 354 148 N +ATOM 155 CZ ARG A 10 -12.483 3.229 -0.879 1.00 11.93 C +ANISOU 155 CZ ARG A 10 1791 1376 1367 315 481 40 C +ATOM 156 NH1 ARG A 10 -11.504 3.943 -1.402 1.00 11.99 N +ANISOU 156 NH1 ARG A 10 1855 1419 1282 180 404 35 N +ATOM 157 NH2 ARG A 10 -13.726 3.389 -1.306 1.00 12.51 N +ANISOU 157 NH2 ARG A 10 1892 1538 1323 105 75 253 N +ATOM 158 H ARG A 10 -7.331 -1.006 1.711 1.00 11.44 H +ATOM 159 HA ARG A 10 -8.554 -1.194 -0.566 1.00 11.67 H +ATOM 160 HB2 ARG A 10 -9.463 -0.200 1.405 1.00 11.73 H +ATOM 161 HB3 ARG A 10 -8.572 1.082 1.107 1.00 11.73 H +ATOM 162 HG2 ARG A 10 -9.801 1.311 -0.950 1.00 11.67 H +ATOM 163 HG3 ARG A 10 -10.804 0.219 -0.377 1.00 11.67 H +ATOM 164 HD2 ARG A 10 -11.060 1.722 1.544 1.00 13.74 H +ATOM 165 HD3 ARG A 10 -10.398 2.830 0.617 1.00 13.74 H +ATOM 166 HE ARG A 10 -12.912 1.876 0.357 1.00 13.05 H +ATOM 167 HH11 ARG A 10 -10.695 3.824 -1.135 1.00 14.39 H +ATOM 168 HH12 ARG A 10 -11.675 4.528 -2.009 1.00 14.39 H +ATOM 169 HH21 ARG A 10 -14.359 2.909 -0.976 1.00 15.01 H +ATOM 170 HH22 ARG A 10 -13.901 3.972 -1.913 1.00 15.01 H +ATOM 171 N GLU A 11 -6.291 1.085 -0.528 1.00 10.01 N +ANISOU 171 N GLU A 11 1859 1136 809 -50 126 42 N +ATOM 172 CA GLU A 11 -5.465 1.902 -1.408 1.00 11.02 C +ANISOU 172 CA GLU A 11 1711 1144 1332 -52 198 -73 C +ATOM 173 C GLU A 11 -4.696 1.044 -2.401 1.00 10.10 C +ANISOU 173 C GLU A 11 1318 1208 1312 -10 142 -33 C +ATOM 174 O GLU A 11 -4.583 1.398 -3.577 1.00 11.33 O +ANISOU 174 O GLU A 11 1745 1425 1136 -43 227 188 O +ATOM 175 CB GLU A 11 -4.513 2.746 -0.566 1.00 14.70 C +ANISOU 175 CB GLU A 11 2402 1468 1716 -124 364 -417 C +ATOM 176 CG GLU A 11 -3.574 3.630 -1.357 1.00 21.21 C +ANISOU 176 CG GLU A 11 3399 1995 2665 -263 357 59 C +ATOM 177 H GLU A 11 -6.085 1.137 0.306 1.00 12.01 H +ATOM 178 HA GLU A 11 -6.033 2.499 -1.920 1.00 13.22 H +ATOM 179 HB2 GLU A 11 -5.041 3.322 0.009 1.00 17.64 H +ATOM 180 HB3 GLU A 11 -3.968 2.150 -0.029 1.00 17.64 H +ATOM 181 HG2 GLU A 11 -2.993 3.077 -1.903 1.00 25.46 H +ATOM 182 HG3 GLU A 11 -4.095 4.225 -1.918 1.00 25.46 H +ATOM 183 N GLU A 12 -4.142 -0.079 -1.945 1.00 9.95 N +ANISOU 183 N GLU A 12 1406 1352 1023 93 117 -9 N +ATOM 184 CA GLU A 12 -3.396 -0.941 -2.853 1.00 11.29 C +ANISOU 184 CA GLU A 12 1472 1438 1380 26 15 -63 C +ATOM 185 C GLU A 12 -4.311 -1.534 -3.911 1.00 9.89 C +ANISOU 185 C GLU A 12 1335 1251 1173 167 61 22 C +ATOM 186 O GLU A 12 -3.940 -1.609 -5.083 1.00 10.24 O +ANISOU 186 O GLU A 12 1420 1391 1077 79 323 29 O +ATOM 187 CB GLU A 12 -2.693 -2.041 -2.060 1.00 12.83 C +ANISOU 187 CB GLU A 12 1531 1690 1653 258 -63 -7 C +ATOM 188 CG GLU A 12 -1.572 -1.526 -1.166 1.00 16.91 C +ANISOU 188 CG GLU A 12 1857 2215 2353 110 -75 26 C +ATOM 189 CD GLU A 12 -0.782 -2.632 -0.480 1.00 22.43 C +ANISOU 189 CD GLU A 12 2654 2579 3289 -16 -461 -170 C +ATOM 190 OE1 GLU A 12 -0.941 -3.814 -0.852 1.00 25.62 O +ANISOU 190 OE1 GLU A 12 2865 2711 4159 9 -342 -122 O +ATOM 191 OE2 GLU A 12 0.005 -2.307 0.436 1.00 24.79 O +ANISOU 191 OE2 GLU A 12 3166 2837 3417 -36 -942 -140 O +ATOM 192 H GLU A 12 -4.182 -0.359 -1.132 1.00 11.95 H +ATOM 193 HA GLU A 12 -2.715 -0.419 -3.306 1.00 13.55 H +ATOM 194 HB2 GLU A 12 -3.344 -2.484 -1.494 1.00 15.40 H +ATOM 195 HB3 GLU A 12 -2.307 -2.678 -2.683 1.00 15.40 H +ATOM 196 HG2 GLU A 12 -0.953 -1.012 -1.707 1.00 20.29 H +ATOM 197 HG3 GLU A 12 -1.956 -0.964 -0.476 1.00 20.29 H +ATOM 198 N LEU A 13 -5.518 -1.938 -3.517 1.00 8.96 N +ANISOU 198 N LEU A 13 1257 1214 932 59 134 -13 N +ATOM 199 CA LEU A 13 -6.467 -2.459 -4.490 1.00 9.48 C +ANISOU 199 CA LEU A 13 1387 1072 1145 -51 339 20 C +ATOM 200 C LEU A 13 -6.855 -1.387 -5.493 1.00 9.36 C +ANISOU 200 C LEU A 13 1492 1168 895 -138 275 -50 C +ATOM 201 O LEU A 13 -6.892 -1.646 -6.703 1.00 9.71 O +ANISOU 201 O LEU A 13 1548 1170 970 -221 241 -65 O +ATOM 202 CB LEU A 13 -7.699 -3.014 -3.780 1.00 9.85 C +ANISOU 202 CB LEU A 13 1511 1102 1128 64 258 18 C +ATOM 203 CG LEU A 13 -8.836 -3.501 -4.690 1.00 10.55 C +ANISOU 203 CG LEU A 13 1379 1310 1321 -70 179 189 C +ATOM 204 CD1 LEU A 13 -8.406 -4.559 -5.712 1.00 11.30 C +ANISOU 204 CD1 LEU A 13 1572 1403 1319 -138 268 -66 C +ATOM 205 CD2 LEU A 13 -9.983 -4.024 -3.824 1.00 11.25 C +ANISOU 205 CD2 LEU A 13 1524 1430 1319 -127 290 206 C +ATOM 206 H LEU A 13 -5.807 -1.922 -2.707 1.00 10.75 H +ATOM 207 HA LEU A 13 -6.055 -3.191 -4.976 1.00 11.38 H +ATOM 208 HB2 LEU A 13 -7.421 -3.769 -3.237 1.00 11.82 H +ATOM 209 HB3 LEU A 13 -8.062 -2.315 -3.214 1.00 11.82 H +ATOM 210 HG LEU A 13 -9.132 -2.745 -5.219 1.00 12.67 H +ATOM 211 HD11 LEU A 13 -9.186 -4.854 -6.208 1.00 13.57 H +ATOM 212 HD12 LEU A 13 -7.758 -4.167 -6.318 1.00 13.57 H +ATOM 213 HD13 LEU A 13 -8.009 -5.309 -5.243 1.00 13.57 H +ATOM 214 HD21 LEU A 13 -10.703 -4.324 -4.400 1.00 13.50 H +ATOM 215 HD22 LEU A 13 -9.661 -4.763 -3.285 1.00 13.50 H +ATOM 216 HD23 LEU A 13 -10.296 -3.308 -3.249 1.00 13.50 H +ATOM 217 N ALYS A 14 -7.137 -0.170 -5.019 0.81 9.32 N +ANISOU 217 N ALYS A 14 1609 1225 705 -115 69 -30 N +ATOM 218 N BLYS A 14 -7.130 -0.168 -5.028 0.19 10.31 N +ANISOU 218 N BLYS A 14 1625 1323 971 -121 98 4 N +ATOM 219 CA ALYS A 14 -7.527 0.902 -5.927 0.81 9.07 C +ANISOU 219 CA ALYS A 14 1501 1073 872 71 238 -132 C +ATOM 220 CA BLYS A 14 -7.539 0.884 -5.952 0.19 12.21 C +ANISOU 220 CA BLYS A 14 1834 1445 1360 34 181 112 C +ATOM 221 C ALYS A 14 -6.396 1.250 -6.885 0.81 8.75 C +ANISOU 221 C ALYS A 14 1485 971 869 -127 271 -129 C +ATOM 222 C BLYS A 14 -6.400 1.314 -6.870 0.19 10.32 C +ANISOU 222 C BLYS A 14 1658 1168 1094 -67 230 56 C +ATOM 223 O ALYS A 14 -6.638 1.550 -8.059 0.81 9.21 O +ANISOU 223 O ALYS A 14 1813 969 718 13 116 -58 O +ATOM 224 O BLYS A 14 -6.650 1.741 -8.002 0.19 10.19 O +ANISOU 224 O BLYS A 14 1832 1075 965 -55 191 127 O +ATOM 225 CB ALYS A 14 -7.949 2.140 -5.138 0.81 14.81 C +ANISOU 225 CB ALYS A 14 2133 1697 1798 547 1025 669 C +ATOM 226 CB BLYS A 14 -8.115 2.074 -5.185 0.19 17.60 C +ANISOU 226 CB BLYS A 14 2525 2014 2148 276 435 411 C +ATOM 227 CG ALYS A 14 -9.256 1.990 -4.382 0.81 20.98 C +ANISOU 227 CG ALYS A 14 2841 2455 2675 178 683 868 C +ATOM 228 CG BLYS A 14 -9.516 1.811 -4.649 0.19 22.37 C +ANISOU 228 CG BLYS A 14 3023 2612 2866 149 393 371 C +ATOM 229 CD ALYS A 14 -10.478 2.118 -5.276 0.81 24.38 C +ANISOU 229 CD ALYS A 14 3236 2868 3157 -180 426 432 C +ATOM 230 CD BLYS A 14 -10.218 3.085 -4.187 0.19 25.66 C +ANISOU 230 CD BLYS A 14 3470 3001 3277 9 221 82 C +ATOM 231 CE ALYS A 14 -10.780 3.569 -5.612 0.81 27.40 C +ANISOU 231 CE ALYS A 14 3665 3047 3697 -208 139 145 C +ATOM 232 CE BLYS A 14 -10.601 3.999 -5.350 0.19 27.38 C +ANISOU 232 CE BLYS A 14 3642 3162 3600 41 134 38 C +ATOM 233 NZ ALYS A 14 -12.010 3.687 -6.434 0.81 28.45 N +ANISOU 233 NZ ALYS A 14 3862 3014 3933 -98 -195 21 N +ATOM 234 NZ BLYS A 14 -11.757 3.488 -6.139 0.19 27.77 N +ANISOU 234 NZ BLYS A 14 3691 3205 3657 114 -79 102 N +ATOM 235 H ALYS A 14 -7.110 0.057 -4.190 0.81 11.18 H +ATOM 236 H BLYS A 14 -7.089 0.071 -4.203 0.19 12.38 H +ATOM 237 HA ALYS A 14 -8.289 0.602 -6.447 0.81 10.88 H +ATOM 238 HA BLYS A 14 -8.247 0.540 -6.519 0.19 14.65 H +ATOM 239 HB2ALYS A 14 -7.257 2.344 -4.490 0.81 17.78 H +ATOM 240 HB2BLYS A 14 -7.538 2.272 -4.431 0.19 21.12 H +ATOM 241 HB3ALYS A 14 -8.053 2.880 -5.757 0.81 17.78 H +ATOM 242 HB3BLYS A 14 -8.160 2.840 -5.779 0.19 21.12 H +ATOM 243 HG2ALYS A 14 -9.281 1.114 -3.966 0.81 25.18 H +ATOM 244 HG2BLYS A 14 -10.054 1.410 -5.350 0.19 26.85 H +ATOM 245 HG3ALYS A 14 -9.309 2.681 -3.703 0.81 25.18 H +ATOM 246 HG3BLYS A 14 -9.458 1.209 -3.891 0.19 26.85 H +ATOM 247 HD2ALYS A 14 -10.320 1.640 -6.106 0.81 29.25 H +ATOM 248 HD2BLYS A 14 -11.030 2.845 -3.713 0.19 30.79 H +ATOM 249 HD3ALYS A 14 -11.249 1.745 -4.820 0.81 29.25 H +ATOM 250 HD3BLYS A 14 -9.625 3.578 -3.599 0.19 30.79 H +ATOM 251 HE2ALYS A 14 -10.911 4.069 -4.792 0.81 32.88 H +ATOM 252 HE2BLYS A 14 -10.841 4.871 -4.999 0.19 32.86 H +ATOM 253 HE3ALYS A 14 -10.039 3.944 -6.115 0.81 32.88 H +ATOM 254 HE3BLYS A 14 -9.843 4.080 -5.949 0.19 32.86 H +ATOM 255 HZ1ALYS A 14 -11.821 3.525 -7.289 0.81 34.14 H +ATOM 256 HZ1BLYS A 14 -11.901 4.014 -6.843 0.19 33.33 H +ATOM 257 HZ2ALYS A 14 -12.619 3.100 -6.156 0.81 34.14 H +ATOM 258 HZ2BLYS A 14 -11.590 2.662 -6.425 0.19 33.33 H +ATOM 259 HZ3ALYS A 14 -12.346 4.508 -6.363 0.81 34.14 H +ATOM 260 HZ3BLYS A 14 -12.490 3.477 -5.634 0.19 33.33 H +ATOM 261 N GLU A 15 -5.151 1.232 -6.404 1.00 9.32 N +ANISOU 261 N GLU A 15 1508 1135 897 -88 228 51 N +ATOM 262 CA GLU A 15 -4.022 1.506 -7.283 1.00 10.63 C +ANISOU 262 CA GLU A 15 1662 1249 1128 -84 419 -55 C +ATOM 263 C GLU A 15 -3.907 0.448 -8.373 1.00 10.10 C +ANISOU 263 C GLU A 15 1497 1231 1108 -40 373 24 C +ATOM 264 O GLU A 15 -3.651 0.780 -9.537 1.00 10.45 O +ANISOU 264 O GLU A 15 1639 1316 1014 -213 357 -59 O +ATOM 265 CB GLU A 15 -2.738 1.588 -6.465 1.00 12.53 C +ANISOU 265 CB GLU A 15 1656 1552 1552 -205 297 156 C +ATOM 266 CG GLU A 15 -1.516 2.014 -7.251 1.00 18.49 C +ANISOU 266 CG GLU A 15 2535 2244 2246 -220 765 7 C +ATOM 267 CD GLU A 15 -1.579 3.471 -7.697 1.00 26.13 C +ANISOU 267 CD GLU A 15 3710 2812 3406 -234 1374 112 C +ATOM 268 OE1 GLU A 15 -0.946 3.812 -8.720 1.00 32.09 O +ANISOU 268 OE1 GLU A 15 4558 3311 4323 16 1119 227 O +ATOM 269 OE2 GLU A 15 -2.267 4.275 -7.033 1.00 29.90 O +ANISOU 269 OE2 GLU A 15 4171 2821 4369 -429 937 -207 O +ATOM 270 H GLU A 15 -4.938 1.067 -5.588 1.00 11.18 H +ATOM 271 HA GLU A 15 -4.155 2.364 -7.716 1.00 12.76 H +ATOM 272 HB2 GLU A 15 -2.867 2.233 -5.752 1.00 15.03 H +ATOM 273 HB3 GLU A 15 -2.554 0.712 -6.090 1.00 15.03 H +ATOM 274 HG2 GLU A 15 -0.728 1.905 -6.695 1.00 22.19 H +ATOM 275 HG3 GLU A 15 -1.442 1.461 -8.044 1.00 22.19 H +ATOM 276 N PHE A 16 -4.087 -0.835 -8.020 1.00 10.10 N +ANISOU 276 N PHE A 16 1474 1197 1166 110 259 -5 N +ATOM 277 CA PHE A 16 -4.098 -1.901 -9.020 1.00 10.05 C +ANISOU 277 CA PHE A 16 1668 1077 1075 145 374 92 C +ATOM 278 C PHE A 16 -5.226 -1.690 -10.026 1.00 9.41 C +ANISOU 278 C PHE A 16 1820 839 916 8 380 -42 C +ATOM 279 O PHE A 16 -5.010 -1.776 -11.239 1.00 10.08 O +ANISOU 279 O PHE A 16 1841 971 1019 94 393 -106 O +ATOM 280 CB PHE A 16 -4.227 -3.255 -8.320 1.00 10.77 C +ANISOU 280 CB PHE A 16 1857 1117 1119 233 446 167 C +ATOM 281 CG PHE A 16 -4.351 -4.399 -9.265 1.00 10.72 C +ANISOU 281 CG PHE A 16 1906 1009 1158 207 288 82 C +ATOM 282 CD1 PHE A 16 -3.235 -4.910 -9.916 1.00 12.52 C +ANISOU 282 CD1 PHE A 16 2133 1253 1370 215 402 70 C +ATOM 283 CD2 PHE A 16 -5.586 -4.960 -9.534 1.00 11.12 C +ANISOU 283 CD2 PHE A 16 1799 1039 1386 -96 269 149 C +ATOM 284 CE1 PHE A 16 -3.355 -5.967 -10.785 1.00 13.88 C +ANISOU 284 CE1 PHE A 16 2739 1180 1355 294 529 154 C +ATOM 285 CE2 PHE A 16 -5.699 -6.012 -10.408 1.00 13.18 C +ANISOU 285 CE2 PHE A 16 2286 1126 1596 -164 428 269 C +ATOM 286 CZ PHE A 16 -4.583 -6.506 -11.037 1.00 14.21 C +ANISOU 286 CZ PHE A 16 2895 1066 1438 42 432 258 C +ATOM 287 H PHE A 16 -4.203 -1.109 -7.214 1.00 12.12 H +ATOM 288 HA PHE A 16 -3.262 -1.894 -9.511 1.00 12.07 H +ATOM 289 HB2 PHE A 16 -3.438 -3.402 -7.776 1.00 12.93 H +ATOM 290 HB3 PHE A 16 -5.019 -3.244 -7.761 1.00 12.93 H +ATOM 291 HD1 PHE A 16 -2.399 -4.532 -9.763 1.00 15.02 H +ATOM 292 HD2 PHE A 16 -6.347 -4.621 -9.120 1.00 13.34 H +ATOM 293 HE1 PHE A 16 -2.599 -6.316 -11.202 1.00 16.66 H +ATOM 294 HE2 PHE A 16 -6.532 -6.392 -10.574 1.00 15.82 H +ATOM 295 HZ PHE A 16 -4.665 -7.211 -11.637 1.00 17.05 H +ATOM 296 N LEU A 17 -6.444 -1.411 -9.542 1.00 9.02 N +ANISOU 296 N LEU A 17 1532 1014 882 163 266 88 N +ATOM 297 CA LEU A 17 -7.565 -1.214 -10.455 1.00 9.03 C +ANISOU 297 CA LEU A 17 1433 985 1015 24 260 20 C +ATOM 298 C LEU A 17 -7.297 -0.052 -11.400 1.00 9.44 C +ANISOU 298 C LEU A 17 1507 1010 1069 55 271 126 C +ATOM 299 O LEU A 17 -7.634 -0.111 -12.591 1.00 9.98 O +ANISOU 299 O LEU A 17 1729 1184 880 -37 233 85 O +ATOM 300 CB LEU A 17 -8.858 -0.974 -9.682 1.00 9.03 C +ANISOU 300 CB LEU A 17 1473 1008 950 -173 52 28 C +ATOM 301 CG LEU A 17 -9.301 -2.127 -8.789 1.00 10.01 C +ANISOU 301 CG LEU A 17 1662 1044 1096 -306 141 93 C +ATOM 302 CD1 LEU A 17 -10.475 -1.703 -7.954 1.00 11.22 C +ANISOU 302 CD1 LEU A 17 1654 1306 1302 -91 381 54 C +ATOM 303 CD2 LEU A 17 -9.650 -3.348 -9.619 1.00 11.83 C +ANISOU 303 CD2 LEU A 17 2067 1128 1300 -436 446 129 C +ATOM 304 H LEU A 17 -6.641 -1.332 -8.708 1.00 10.83 H +ATOM 305 HA LEU A 17 -7.679 -2.022 -10.978 1.00 10.84 H +ATOM 306 HB2 LEU A 17 -8.735 -0.197 -9.115 1.00 10.84 H +ATOM 307 HB3 LEU A 17 -9.569 -0.811 -10.320 1.00 10.84 H +ATOM 308 HG LEU A 17 -8.572 -2.371 -8.198 1.00 12.01 H +ATOM 309 HD11 LEU A 17 -10.739 -2.441 -7.383 1.00 13.46 H +ATOM 310 HD12 LEU A 17 -10.218 -0.941 -7.411 1.00 13.46 H +ATOM 311 HD13 LEU A 17 -11.208 -1.459 -8.540 1.00 13.46 H +ATOM 312 HD21 LEU A 17 -10.000 -4.038 -9.033 1.00 14.20 H +ATOM 313 HD22 LEU A 17 -10.318 -3.102 -10.277 1.00 14.20 H +ATOM 314 HD23 LEU A 17 -8.849 -3.667 -10.064 1.00 14.20 H +ATOM 315 N LYS A 18 -6.711 1.026 -10.874 1.00 9.59 N +ANISOU 315 N LYS A 18 1736 928 978 79 263 112 N +ATOM 316 CA LYS A 18 -6.381 2.179 -11.705 1.00 10.00 C +ANISOU 316 CA LYS A 18 1787 1040 973 131 310 -91 C +ATOM 317 C LYS A 18 -5.369 1.804 -12.788 1.00 10.68 C +ANISOU 317 C LYS A 18 2123 1028 908 -110 440 -24 C +ATOM 318 O LYS A 18 -5.549 2.134 -13.966 1.00 12.57 O +ANISOU 318 O LYS A 18 2596 1093 1087 -90 579 104 O +ATOM 319 CB LYS A 18 -5.850 3.293 -10.807 1.00 10.80 C +ANISOU 319 CB LYS A 18 1899 1027 1178 -60 385 -95 C +ATOM 320 CG LYS A 18 -5.492 4.564 -11.543 1.00 13.16 C +ANISOU 320 CG LYS A 18 2397 1094 1510 -178 630 -51 C +ATOM 321 CD LYS A 18 -4.875 5.567 -10.567 1.00 17.06 C +ANISOU 321 CD LYS A 18 3218 1403 1859 -358 847 -25 C +ATOM 322 CE LYS A 18 -4.230 6.753 -11.245 1.00 21.09 C +ANISOU 322 CE LYS A 18 4077 1789 2146 -146 545 -85 C +ATOM 323 NZ LYS A 18 -3.497 7.570 -10.240 1.00 23.95 N +ANISOU 323 NZ LYS A 18 4393 2126 2580 -135 1005 -172 N +ATOM 324 H LYS A 18 -6.496 1.115 -10.046 1.00 11.50 H +ATOM 325 HA LYS A 18 -7.177 2.501 -12.156 1.00 12.00 H +ATOM 326 HB2 LYS A 18 -6.530 3.514 -10.151 1.00 12.96 H +ATOM 327 HB3 LYS A 18 -5.049 2.977 -10.360 1.00 12.96 H +ATOM 328 HG2 LYS A 18 -4.848 4.369 -12.240 1.00 15.80 H +ATOM 329 HG3 LYS A 18 -6.291 4.956 -11.929 1.00 15.80 H +ATOM 330 HD2 LYS A 18 -5.571 5.904 -9.981 1.00 20.47 H +ATOM 331 HD3 LYS A 18 -4.192 5.117 -10.046 1.00 20.47 H +ATOM 332 HE2 LYS A 18 -3.601 6.445 -11.915 1.00 25.31 H +ATOM 333 HE3 LYS A 18 -4.912 7.305 -11.658 1.00 25.31 H +ATOM 334 HZ1 LYS A 18 -2.861 7.081 -9.855 1.00 28.74 H +ATOM 335 HZ2 LYS A 18 -3.121 8.273 -10.636 1.00 28.74 H +ATOM 336 HZ3 LYS A 18 -4.059 7.858 -9.613 1.00 28.74 H +ATOM 337 N LYS A 19 -4.295 1.105 -12.410 1.00 10.68 N +ANISOU 337 N LYS A 19 1692 1190 1178 -4 441 -49 N +ATOM 338 CA LYS A 19 -3.302 0.671 -13.388 1.00 12.01 C +ANISOU 338 CA LYS A 19 1644 1591 1330 -54 561 -242 C +ATOM 339 C LYS A 19 -3.949 -0.183 -14.469 1.00 10.88 C +ANISOU 339 C LYS A 19 1684 1281 1168 -5 780 -207 C +ATOM 340 O LYS A 19 -3.596 -0.085 -15.651 1.00 11.12 O +ANISOU 340 O LYS A 19 1700 1249 1276 -20 557 -42 O +ATOM 341 CB LYS A 19 -2.213 -0.128 -12.660 1.00 15.76 C +ANISOU 341 CB LYS A 19 1605 2297 2087 -56 476 -326 C +ATOM 342 CG LYS A 19 -1.145 -0.760 -13.543 1.00 19.48 C +ANISOU 342 CG LYS A 19 2483 2413 2505 26 236 -195 C +ATOM 343 CD LYS A 19 -0.044 -1.412 -12.695 1.00 21.29 C +ANISOU 343 CD LYS A 19 3191 2376 2523 96 -238 -12 C +ATOM 344 CE LYS A 19 -0.504 -2.682 -11.955 1.00 21.69 C +ANISOU 344 CE LYS A 19 3338 2274 2630 214 -390 -45 C +ATOM 345 NZ LYS A 19 -0.765 -3.837 -12.857 1.00 19.69 N +ANISOU 345 NZ LYS A 19 3125 2058 2298 73 -311 -246 N +ATOM 346 H LYS A 19 -4.119 0.871 -11.601 1.00 12.82 H +ATOM 347 HA LYS A 19 -2.898 1.442 -13.815 1.00 14.42 H +ATOM 348 HB2 LYS A 19 -1.760 0.470 -12.044 1.00 18.92 H +ATOM 349 HB3 LYS A 19 -2.642 -0.847 -12.169 1.00 18.92 H +ATOM 350 HG2 LYS A 19 -1.549 -1.444 -14.099 1.00 23.37 H +ATOM 351 HG3 LYS A 19 -0.740 -0.076 -14.099 1.00 23.37 H +ATOM 352 HD2 LYS A 19 0.693 -1.658 -13.275 1.00 25.55 H +ATOM 353 HD3 LYS A 19 0.257 -0.774 -12.029 1.00 25.55 H +ATOM 354 HE2 LYS A 19 0.187 -2.947 -11.328 1.00 26.03 H +ATOM 355 HE3 LYS A 19 -1.326 -2.487 -11.479 1.00 26.03 H +ATOM 356 HZ1 LYS A 19 -1.001 -4.550 -12.379 1.00 23.63 H +ATOM 357 HZ2 LYS A 19 -1.422 -3.639 -13.423 1.00 23.63 H +ATOM 358 HZ3 LYS A 19 -0.031 -4.032 -13.322 1.00 23.63 H +ATOM 359 N GLU A 20 -4.894 -1.039 -14.080 1.00 10.44 N +ANISOU 359 N GLU A 20 1667 1308 991 -94 464 -67 N +ATOM 360 CA GLU A 20 -5.533 -1.961 -15.007 1.00 10.52 C +ANISOU 360 CA GLU A 20 1587 1160 1249 -27 434 -126 C +ATOM 361 C GLU A 20 -6.661 -1.332 -15.813 1.00 9.61 C +ANISOU 361 C GLU A 20 1646 1124 881 -40 442 138 C +ATOM 362 O GLU A 20 -7.156 -1.972 -16.745 1.00 10.65 O +ANISOU 362 O GLU A 20 1847 1355 846 156 274 -65 O +ATOM 363 CB GLU A 20 -6.116 -3.139 -14.228 1.00 10.52 C +ANISOU 363 CB GLU A 20 1866 1059 1072 132 468 105 C +ATOM 364 CG GLU A 20 -5.093 -3.987 -13.530 1.00 12.38 C +ANISOU 364 CG GLU A 20 2049 1197 1457 131 602 -164 C +ATOM 365 CD GLU A 20 -4.188 -4.708 -14.510 1.00 13.88 C +ANISOU 365 CD GLU A 20 2050 1481 1744 142 241 -172 C +ATOM 366 OE1 GLU A 20 -4.689 -5.537 -15.310 1.00 15.83 O +ANISOU 366 OE1 GLU A 20 1933 1824 2258 319 271 -562 O +ATOM 367 OE2 GLU A 20 -2.971 -4.438 -14.484 1.00 13.65 O +ANISOU 367 OE2 GLU A 20 2318 1538 1330 198 502 -22 O +ATOM 368 H GLU A 20 -5.184 -1.103 -13.273 1.00 12.53 H +ATOM 369 HA GLU A 20 -4.858 -2.277 -15.627 1.00 12.62 H +ATOM 370 HB2 GLU A 20 -6.722 -2.794 -13.554 1.00 12.63 H +ATOM 371 HB3 GLU A 20 -6.598 -3.710 -14.847 1.00 12.63 H +ATOM 372 HG2 GLU A 20 -4.541 -3.421 -12.967 1.00 14.86 H +ATOM 373 HG3 GLU A 20 -5.547 -4.652 -12.989 1.00 14.86 H +ATOM 374 N GLY A 21 -7.091 -0.121 -15.482 1.00 9.86 N +ANISOU 374 N GLY A 21 1775 1092 878 -100 325 7 N +ATOM 375 CA GLY A 21 -8.251 0.462 -16.125 1.00 10.97 C +ANISOU 375 CA GLY A 21 2056 1156 954 -34 350 -29 C +ATOM 376 C GLY A 21 -9.553 -0.226 -15.794 1.00 11.00 C +ANISOU 376 C GLY A 21 2189 1279 710 -270 147 -87 C +ATOM 377 O GLY A 21 -10.461 -0.263 -16.626 1.00 13.50 O +ANISOU 377 O GLY A 21 2479 1881 771 -375 353 102 O +ATOM 378 H GLY A 21 -6.728 0.383 -14.887 1.00 11.83 H +ATOM 379 HA2 GLY A 21 -8.326 1.390 -15.855 1.00 13.16 H +ATOM 380 HA3 GLY A 21 -8.129 0.422 -17.087 1.00 13.16 H +ATOM 381 N ILE A 22 -9.668 -0.781 -14.596 1.00 9.58 N +ANISOU 381 N ILE A 22 1940 943 757 49 299 -9 N +ATOM 382 CA ILE A 22 -10.865 -1.492 -14.176 1.00 10.02 C +ANISOU 382 CA ILE A 22 1767 1064 976 139 319 -45 C +ATOM 383 C ILE A 22 -11.707 -0.553 -13.334 1.00 10.43 C +ANISOU 383 C ILE A 22 2061 1061 840 188 323 -2 C +ATOM 384 O ILE A 22 -11.246 -0.047 -12.305 1.00 11.36 O +ANISOU 384 O ILE A 22 2244 1190 883 71 393 -250 O +ATOM 385 CB ILE A 22 -10.509 -2.758 -13.385 1.00 9.28 C +ANISOU 385 CB ILE A 22 1474 1071 980 -64 181 -22 C +ATOM 386 CG1 ILE A 22 -9.737 -3.729 -14.279 1.00 9.41 C +ANISOU 386 CG1 ILE A 22 1312 1036 1227 71 300 4 C +ATOM 387 CG2 ILE A 22 -11.771 -3.384 -12.848 1.00 10.72 C +ANISOU 387 CG2 ILE A 22 1572 1310 1190 86 231 111 C +ATOM 388 CD1 ILE A 22 -9.098 -4.878 -13.535 1.00 11.69 C +ANISOU 388 CD1 ILE A 22 1925 1191 1324 80 332 246 C +ATOM 389 H ILE A 22 -9.051 -0.758 -13.998 1.00 11.50 H +ATOM 390 HA ILE A 22 -11.378 -1.746 -14.960 1.00 12.03 H +ATOM 391 HB ILE A 22 -9.939 -2.528 -12.635 1.00 11.14 H +ATOM 392 HG12 ILE A 22 -10.350 -4.105 -14.931 1.00 11.29 H +ATOM 393 HG13 ILE A 22 -9.031 -3.241 -14.730 1.00 11.29 H +ATOM 394 HG21 ILE A 22 -11.567 -4.272 -12.517 1.00 12.86 H +ATOM 395 HG22 ILE A 22 -12.115 -2.833 -12.128 1.00 12.86 H +ATOM 396 HG23 ILE A 22 -12.425 -3.440 -13.563 1.00 12.86 H +ATOM 397 HD11 ILE A 22 -8.514 -5.360 -14.140 1.00 14.03 H +ATOM 398 HD12 ILE A 22 -8.586 -4.526 -12.790 1.00 14.03 H +ATOM 399 HD13 ILE A 22 -9.795 -5.469 -13.207 1.00 14.03 H +ATOM 400 N THR A 23 -12.955 -0.348 -13.741 1.00 11.08 N +ANISOU 400 N THR A 23 2186 1056 968 466 348 58 N +ATOM 401 CA THR A 23 -13.808 0.635 -13.093 1.00 13.47 C +ANISOU 401 CA THR A 23 2344 1376 1397 611 507 318 C +ATOM 402 C THR A 23 -15.118 0.051 -12.584 1.00 13.42 C +ANISOU 402 C THR A 23 2274 1629 1196 628 760 252 C +ATOM 403 O THR A 23 -15.961 0.814 -12.103 1.00 18.54 O +ANISOU 403 O THR A 23 2963 2078 2003 1039 1193 380 O +ATOM 404 CB THR A 23 -14.093 1.800 -14.043 1.00 16.67 C +ANISOU 404 CB THR A 23 2732 1728 1875 736 617 565 C +ATOM 405 OG1 THR A 23 -14.801 1.310 -15.189 1.00 18.77 O +ANISOU 405 OG1 THR A 23 3414 2108 1611 869 389 664 O +ATOM 406 CG2 THR A 23 -12.794 2.464 -14.489 1.00 19.50 C +ANISOU 406 CG2 THR A 23 2848 1861 2700 474 456 748 C +ATOM 407 H THR A 23 -13.329 -0.768 -14.392 1.00 13.30 H +ATOM 408 HA THR A 23 -13.330 0.980 -12.323 1.00 16.16 H +ATOM 409 HB THR A 23 -14.629 2.469 -13.590 1.00 20.01 H +ATOM 410 HG1 THR A 23 -15.570 1.057 -14.964 1.00 22.53 H +ATOM 411 HG21 THR A 23 -12.989 3.263 -15.003 1.00 23.40 H +ATOM 412 HG22 THR A 23 -12.264 2.709 -13.714 1.00 23.40 H +ATOM 413 HG23 THR A 23 -12.281 1.852 -15.040 1.00 23.40 H +ATOM 414 N ASN A 24 -15.301 -1.272 -12.622 1.00 10.89 N +ANISOU 414 N ASN A 24 1510 1529 1097 315 195 167 N +ATOM 415 CA ASN A 24 -16.571 -1.877 -12.233 1.00 12.21 C +ANISOU 415 CA ASN A 24 1689 1713 1236 342 130 178 C +ATOM 416 C ASN A 24 -16.509 -2.642 -10.910 1.00 12.66 C +ANISOU 416 C ASN A 24 1883 1844 1085 264 158 515 C +ATOM 417 O ASN A 24 -17.363 -3.495 -10.656 1.00 15.81 O +ANISOU 417 O ASN A 24 1901 2804 1301 -115 57 624 O +ATOM 418 CB ASN A 24 -17.113 -2.769 -13.354 1.00 13.25 C +ANISOU 418 CB ASN A 24 1851 1967 1217 252 -89 236 C +ATOM 419 CG ASN A 24 -16.248 -3.985 -13.618 1.00 13.12 C +ANISOU 419 CG ASN A 24 1708 2016 1263 -50 39 52 C +ATOM 420 OD1 ASN A 24 -15.085 -4.040 -13.224 1.00 12.49 O +ANISOU 420 OD1 ASN A 24 1730 1795 1222 156 289 -83 O +ATOM 421 ND2 ASN A 24 -16.819 -4.974 -14.296 1.00 17.07 N +ANISOU 421 ND2 ASN A 24 2181 2429 1875 -67 -176 -2 N +ATOM 422 H ASN A 24 -14.701 -1.836 -12.870 1.00 13.06 H +ATOM 423 HA ASN A 24 -17.204 -1.154 -12.099 1.00 14.65 H +ATOM 424 HB2 ASN A 24 -17.998 -3.080 -13.109 1.00 15.90 H +ATOM 425 HB3 ASN A 24 -17.158 -2.252 -14.174 1.00 15.90 H +ATOM 426 HD21 ASN A 24 -16.373 -5.688 -14.473 1.00 20.48 H +ATOM 427 HD22 ASN A 24 -17.635 -4.901 -14.558 1.00 20.48 H +ATOM 428 N VAL A 25 -15.546 -2.334 -10.044 1.00 12.75 N +ANISOU 428 N VAL A 25 2292 1485 1066 107 185 188 N +ATOM 429 CA VAL A 25 -15.400 -3.010 -8.758 1.00 12.44 C +ANISOU 429 CA VAL A 25 2334 1455 940 73 117 310 C +ATOM 430 C VAL A 25 -15.935 -2.111 -7.648 1.00 11.70 C +ANISOU 430 C VAL A 25 2205 1360 881 -40 221 127 C +ATOM 431 O VAL A 25 -15.586 -0.928 -7.571 1.00 15.48 O +ANISOU 431 O VAL A 25 3128 1415 1338 -209 817 -109 O +ATOM 432 CB VAL A 25 -13.929 -3.376 -8.503 1.00 12.33 C +ANISOU 432 CB VAL A 25 1979 1528 1178 -110 113 101 C +ATOM 433 CG1 VAL A 25 -13.766 -3.935 -7.104 1.00 11.88 C +ANISOU 433 CG1 VAL A 25 1781 1666 1065 -84 185 199 C +ATOM 434 CG2 VAL A 25 -13.421 -4.346 -9.564 1.00 12.42 C +ANISOU 434 CG2 VAL A 25 2310 1246 1162 -1 513 36 C +ATOM 435 H VAL A 25 -14.955 -1.726 -10.184 1.00 15.30 H +ATOM 436 HA VAL A 25 -15.935 -3.819 -8.763 1.00 14.94 H +ATOM 437 HB VAL A 25 -13.383 -2.576 -8.566 1.00 14.80 H +ATOM 438 HG11 VAL A 25 -12.904 -4.374 -7.039 1.00 14.26 H +ATOM 439 HG12 VAL A 25 -13.816 -3.207 -6.465 1.00 14.26 H +ATOM 440 HG13 VAL A 25 -14.476 -4.574 -6.935 1.00 14.26 H +ATOM 441 HG21 VAL A 25 -12.475 -4.504 -9.420 1.00 14.90 H +ATOM 442 HG22 VAL A 25 -13.911 -5.180 -9.489 1.00 14.90 H +ATOM 443 HG23 VAL A 25 -13.562 -3.957 -10.441 1.00 14.90 H +ATOM 444 N GLU A 26 -16.758 -2.673 -6.770 1.00 10.84 N +ANISOU 444 N GLU A 26 1844 1475 801 95 111 195 N +ATOM 445 CA GLU A 26 -17.257 -1.959 -5.603 1.00 12.34 C +ANISOU 445 CA GLU A 26 1963 1797 930 463 197 -7 C +ATOM 446 C GLU A 26 -16.587 -2.519 -4.359 1.00 10.00 C +ANISOU 446 C GLU A 26 1615 1303 882 238 140 69 C +ATOM 447 O GLU A 26 -16.440 -3.737 -4.225 1.00 11.61 O +ANISOU 447 O GLU A 26 1911 1322 1177 107 -100 -118 O +ATOM 448 CB GLU A 26 -18.769 -2.112 -5.477 1.00 15.86 C +ANISOU 448 CB GLU A 26 2245 2503 1280 686 -122 -30 C +ATOM 449 CG GLU A 26 -19.543 -1.339 -6.536 1.00 23.74 C +ANISOU 449 CG GLU A 26 3707 2944 2370 644 -183 297 C +ATOM 450 CD GLU A 26 -19.281 0.167 -6.510 1.00 30.34 C +ANISOU 450 CD GLU A 26 5046 3322 3160 881 -333 540 C +ATOM 451 OE1 GLU A 26 -19.065 0.728 -5.414 1.00 33.20 O +ANISOU 451 OE1 GLU A 26 5498 3637 3481 942 -584 268 O +ATOM 452 OE2 GLU A 26 -19.293 0.794 -7.591 1.00 33.89 O +ANISOU 452 OE2 GLU A 26 5635 3294 3947 882 43 755 O +ATOM 453 H GLU A 26 -17.045 -3.481 -6.832 1.00 13.01 H +ATOM 454 HA GLU A 26 -17.052 -1.014 -5.679 1.00 14.81 H +ATOM 455 HB2 GLU A 26 -18.998 -3.050 -5.565 1.00 19.04 H +ATOM 456 HB3 GLU A 26 -19.046 -1.784 -4.607 1.00 19.04 H +ATOM 457 HG2 GLU A 26 -19.288 -1.669 -7.412 1.00 28.50 H +ATOM 458 HG3 GLU A 26 -20.493 -1.477 -6.393 1.00 28.50 H +ATOM 459 N ILE A 27 -16.165 -1.622 -3.469 1.00 9.95 N +ANISOU 459 N ILE A 27 1763 1038 980 133 278 162 N +ATOM 460 CA ILE A 27 -15.423 -1.976 -2.265 1.00 9.91 C +ANISOU 460 CA ILE A 27 1732 1151 883 49 454 52 C +ATOM 461 C ILE A 27 -16.155 -1.378 -1.072 1.00 9.76 C +ANISOU 461 C ILE A 27 1833 1080 796 122 295 135 C +ATOM 462 O ILE A 27 -16.472 -0.181 -1.077 1.00 11.49 O +ANISOU 462 O ILE A 27 2158 973 1235 393 387 136 O +ATOM 463 CB ILE A 27 -13.990 -1.409 -2.284 1.00 10.96 C +ANISOU 463 CB ILE A 27 1815 1260 1090 -33 251 12 C +ATOM 464 CG1 ILE A 27 -13.232 -1.851 -3.531 1.00 12.14 C +ANISOU 464 CG1 ILE A 27 1948 1261 1404 -52 532 24 C +ATOM 465 CG2 ILE A 27 -13.239 -1.833 -1.006 1.00 11.65 C +ANISOU 465 CG2 ILE A 27 1617 1437 1371 -271 244 64 C +ATOM 466 CD1 ILE A 27 -11.998 -1.015 -3.801 1.00 14.35 C +ANISOU 466 CD1 ILE A 27 2338 1307 1807 -187 820 -15 C +ATOM 467 H ILE A 27 -16.302 -0.776 -3.548 1.00 11.94 H +ATOM 468 HA ILE A 27 -15.391 -2.942 -2.191 1.00 11.90 H +ATOM 469 HB ILE A 27 -14.049 -0.441 -2.310 1.00 13.15 H +ATOM 470 HG12 ILE A 27 -12.950 -2.772 -3.418 1.00 14.57 H +ATOM 471 HG13 ILE A 27 -13.818 -1.775 -4.299 1.00 14.57 H +ATOM 472 HG21 ILE A 27 -12.295 -1.643 -1.117 1.00 13.98 H +ATOM 473 HG22 ILE A 27 -13.591 -1.334 -0.253 1.00 13.98 H +ATOM 474 HG23 ILE A 27 -13.371 -2.784 -0.864 1.00 13.98 H +ATOM 475 HD11 ILE A 27 -11.633 -1.260 -4.666 1.00 17.22 H +ATOM 476 HD12 ILE A 27 -12.246 -0.077 -3.800 1.00 17.22 H +ATOM 477 HD13 ILE A 27 -11.343 -1.185 -3.106 1.00 17.22 H +ATOM 478 N ARG A 28 -16.378 -2.183 -0.036 1.00 9.33 N +ANISOU 478 N ARG A 28 1716 1064 764 154 206 54 N +ATOM 479 CA ARG A 28 -16.955 -1.707 1.214 1.00 9.97 C +ANISOU 479 CA ARG A 28 1493 1297 1000 190 325 14 C +ATOM 480 C ARG A 28 -16.124 -2.248 2.369 1.00 10.17 C +ANISOU 480 C ARG A 28 1855 1120 891 256 300 122 C +ATOM 481 O ARG A 28 -15.638 -3.382 2.317 1.00 11.31 O +ANISOU 481 O ARG A 28 2174 1117 1007 298 214 -42 O +ATOM 482 CB ARG A 28 -18.401 -2.171 1.372 1.00 12.09 C +ANISOU 482 CB ARG A 28 1940 1505 1149 -9 319 -211 C +ATOM 483 CG ARG A 28 -19.356 -1.622 0.323 1.00 16.04 C +ANISOU 483 CG ARG A 28 2556 1797 1742 277 -272 153 C +ATOM 484 CD ARG A 28 -19.530 -0.114 0.459 1.00 18.09 C +ANISOU 484 CD ARG A 28 2693 2069 2111 332 -505 468 C +ATOM 485 NE ARG A 28 -20.567 0.407 -0.425 1.00 21.51 N +ANISOU 485 NE ARG A 28 3259 2323 2592 352 82 607 N +ATOM 486 CZ ARG A 28 -20.357 0.836 -1.667 1.00 24.20 C +ANISOU 486 CZ ARG A 28 4099 2522 2574 593 -67 618 C +ATOM 487 NH1 ARG A 28 -19.140 0.798 -2.192 1.00 22.82 N +ANISOU 487 NH1 ARG A 28 3816 2530 2325 556 129 525 N +ATOM 488 NH2 ARG A 28 -21.370 1.295 -2.389 1.00 26.93 N +ANISOU 488 NH2 ARG A 28 4718 2800 2712 694 -439 513 N +ATOM 489 H ARG A 28 -16.198 -3.024 -0.037 1.00 11.20 H +ATOM 490 HA ARG A 28 -16.942 -0.738 1.234 1.00 11.97 H +ATOM 491 HB2 ARG A 28 -18.424 -3.138 1.312 1.00 14.51 H +ATOM 492 HB3 ARG A 28 -18.724 -1.884 2.241 1.00 14.51 H +ATOM 493 HG2 ARG A 28 -19.004 -1.809 -0.561 1.00 19.25 H +ATOM 494 HG3 ARG A 28 -20.225 -2.039 0.430 1.00 19.25 H +ATOM 495 HD2 ARG A 28 -19.779 0.096 1.373 1.00 21.71 H +ATOM 496 HD3 ARG A 28 -18.694 0.323 0.234 1.00 21.71 H +ATOM 497 HE ARG A 28 -21.372 0.440 -0.122 1.00 25.82 H +ATOM 498 HH11 ARG A 28 -18.481 0.495 -1.729 1.00 27.39 H +ATOM 499 HH12 ARG A 28 -19.009 1.076 -2.995 1.00 27.39 H +ATOM 500 HH21 ARG A 28 -22.162 1.316 -2.055 1.00 32.31 H +ATOM 501 HH22 ARG A 28 -21.235 1.573 -3.192 1.00 32.31 H +ATOM 502 N ILE A 29 -15.967 -1.433 3.409 1.00 10.32 N +ANISOU 502 N ILE A 29 2122 916 882 337 297 38 N +ATOM 503 CA ILE A 29 -15.316 -1.837 4.653 1.00 11.01 C +ANISOU 503 CA ILE A 29 2283 1071 831 222 516 69 C +ATOM 504 C ILE A 29 -16.312 -1.604 5.773 1.00 12.38 C +ANISOU 504 C ILE A 29 2269 1265 1171 420 285 85 C +ATOM 505 O ILE A 29 -16.864 -0.507 5.887 1.00 14.43 O +ANISOU 505 O ILE A 29 2822 1225 1435 791 675 120 O +ATOM 506 CB ILE A 29 -14.032 -1.030 4.916 1.00 11.82 C +ANISOU 506 CB ILE A 29 2410 1191 889 288 166 8 C +ATOM 507 CG1 ILE A 29 -12.979 -1.328 3.852 1.00 12.87 C +ANISOU 507 CG1 ILE A 29 2465 1338 1087 106 315 154 C +ATOM 508 CG2 ILE A 29 -13.488 -1.346 6.310 1.00 13.16 C +ANISOU 508 CG2 ILE A 29 2319 1400 1281 283 -81 -117 C +ATOM 509 CD1 ILE A 29 -11.802 -0.372 3.869 1.00 14.90 C +ANISOU 509 CD1 ILE A 29 2175 1545 1941 47 238 204 C +ATOM 510 H ILE A 29 -16.238 -0.617 3.416 1.00 12.38 H +ATOM 511 HA ILE A 29 -15.083 -2.777 4.610 1.00 13.22 H +ATOM 512 HB ILE A 29 -14.250 -0.086 4.870 1.00 14.18 H +ATOM 513 HG12 ILE A 29 -12.635 -2.224 3.997 1.00 15.45 H +ATOM 514 HG13 ILE A 29 -13.395 -1.270 2.977 1.00 15.45 H +ATOM 515 HG21 ILE A 29 -12.573 -1.031 6.371 1.00 15.79 H +ATOM 516 HG22 ILE A 29 -14.038 -0.899 6.973 1.00 15.79 H +ATOM 517 HG23 ILE A 29 -13.517 -2.306 6.450 1.00 15.79 H +ATOM 518 HD11 ILE A 29 -11.274 -0.508 3.067 1.00 17.88 H +ATOM 519 HD12 ILE A 29 -12.135 0.538 3.896 1.00 17.88 H +ATOM 520 HD13 ILE A 29 -11.262 -0.550 4.655 1.00 17.88 H +ATOM 521 N ASP A 30 -16.551 -2.631 6.580 1.00 12.69 N +ANISOU 521 N ASP A 30 1989 1636 1198 538 455 388 N +ATOM 522 CA ASP A 30 -17.596 -2.568 7.598 1.00 15.88 C +ANISOU 522 CA ASP A 30 1924 2397 1713 338 512 588 C +ATOM 523 C ASP A 30 -17.173 -3.420 8.787 1.00 13.14 C +ANISOU 523 C ASP A 30 1966 2028 999 431 466 334 C +ATOM 524 O ASP A 30 -17.148 -4.645 8.685 1.00 13.19 O +ANISOU 524 O ASP A 30 2160 1836 1014 542 238 127 O +ATOM 525 CB ASP A 30 -18.913 -3.061 6.990 1.00 23.60 C +ANISOU 525 CB ASP A 30 2893 3260 2816 205 631 852 C +ATOM 526 CG ASP A 30 -20.029 -3.178 8.000 1.00 31.29 C +ANISOU 526 CG ASP A 30 3951 3831 4105 -3 675 651 C +ATOM 527 OD1 ASP A 30 -20.646 -4.261 8.061 1.00 35.74 O +ANISOU 527 OD1 ASP A 30 4433 4044 5104 -106 723 586 O +ATOM 528 OD2 ASP A 30 -20.292 -2.194 8.721 1.00 32.95 O +ANISOU 528 OD2 ASP A 30 4278 4145 4095 -82 806 467 O +ATOM 529 H ASP A 30 -16.122 -3.376 6.559 1.00 15.23 H +ATOM 530 HA ASP A 30 -17.701 -1.661 7.925 1.00 19.06 H +ATOM 531 HB2 ASP A 30 -19.196 -2.435 6.305 1.00 28.33 H +ATOM 532 HB3 ASP A 30 -18.770 -3.937 6.600 1.00 28.33 H +ATOM 533 N ASN A 31 -16.843 -2.780 9.914 1.00 13.08 N +ANISOU 533 N ASN A 31 1959 1794 1218 306 470 200 N +ATOM 534 CA ASN A 31 -16.558 -3.484 11.165 1.00 12.43 C +ANISOU 534 CA ASN A 31 2021 1727 972 250 449 53 C +ATOM 535 C ASN A 31 -15.579 -4.644 10.974 1.00 12.77 C +ANISOU 535 C ASN A 31 2123 2070 660 356 239 86 C +ATOM 536 O ASN A 31 -15.802 -5.764 11.436 1.00 13.76 O +ANISOU 536 O ASN A 31 2358 2063 808 512 279 292 O +ATOM 537 CB ASN A 31 -17.867 -3.944 11.798 1.00 12.85 C +ANISOU 537 CB ASN A 31 1969 1821 1091 229 307 -1 C +ATOM 538 CG ASN A 31 -18.701 -2.788 12.281 1.00 13.68 C +ANISOU 538 CG ASN A 31 2111 2134 954 255 137 -59 C +ATOM 539 OD1 ASN A 31 -18.176 -1.825 12.847 1.00 16.12 O +ANISOU 539 OD1 ASN A 31 2139 2514 1471 360 78 -480 O +ATOM 540 ND2 ASN A 31 -20.007 -2.861 12.055 1.00 14.86 N +ANISOU 540 ND2 ASN A 31 2015 2261 1370 190 219 54 N +ATOM 541 H ASN A 31 -16.777 -1.925 9.976 1.00 15.70 H +ATOM 542 HA ASN A 31 -16.114 -2.870 11.771 1.00 14.91 H +ATOM 543 HB2 ASN A 31 -18.384 -4.436 11.141 1.00 15.42 H +ATOM 544 HB3 ASN A 31 -17.670 -4.514 12.559 1.00 15.42 H +ATOM 545 HD21 ASN A 31 -20.525 -2.224 12.313 1.00 17.84 H +ATOM 546 HD22 ASN A 31 -20.336 -3.545 11.651 1.00 17.84 H +ATOM 547 N GLY A 32 -14.464 -4.361 10.300 1.00 13.69 N +ANISOU 547 N GLY A 32 1877 2484 840 443 164 -90 N +ATOM 548 CA GLY A 32 -13.399 -5.329 10.144 1.00 15.54 C +ANISOU 548 CA GLY A 32 2086 2703 1114 655 398 185 C +ATOM 549 C GLY A 32 -13.570 -6.281 8.988 1.00 15.15 C +ANISOU 549 C GLY A 32 1958 2513 1283 739 692 558 C +ATOM 550 O GLY A 32 -12.747 -7.189 8.815 1.00 16.47 O +ANISOU 550 O GLY A 32 1924 2733 1600 791 357 707 O +ATOM 551 H GLY A 32 -14.307 -3.605 9.922 1.00 16.43 H +ATOM 552 HA2 GLY A 32 -12.564 -4.854 10.014 1.00 18.65 H +ATOM 553 HA3 GLY A 32 -13.338 -5.858 10.955 1.00 18.65 H +ATOM 554 N ARG A 33 -14.612 -6.107 8.198 1.00 13.23 N +ANISOU 554 N ARG A 33 2017 1993 1018 647 341 610 N +ATOM 555 CA ARG A 33 -14.870 -6.942 7.044 1.00 13.13 C +ANISOU 555 CA ARG A 33 2439 1472 1078 570 483 312 C +ATOM 556 C ARG A 33 -14.622 -6.128 5.784 1.00 11.44 C +ANISOU 556 C ARG A 33 2164 1193 992 535 420 218 C +ATOM 557 O ARG A 33 -15.045 -4.971 5.688 1.00 12.43 O +ANISOU 557 O ARG A 33 2391 1352 981 556 612 233 O +ATOM 558 CB ARG A 33 -16.319 -7.406 7.092 1.00 14.74 C +ANISOU 558 CB ARG A 33 2412 1549 1638 23 610 145 C +ATOM 559 CG ARG A 33 -16.711 -8.303 5.958 1.00 19.02 C +ANISOU 559 CG ARG A 33 2684 2051 2492 -106 738 -188 C +ATOM 560 CD ARG A 33 -18.110 -8.823 6.160 1.00 22.95 C +ANISOU 560 CD ARG A 33 2727 2472 3519 -5 1057 -311 C +ATOM 561 NE ARG A 33 -19.093 -7.752 6.050 1.00 25.71 N +ANISOU 561 NE ARG A 33 2825 2715 4229 292 1004 -588 N +ATOM 562 CZ ARG A 33 -19.763 -7.459 4.940 1.00 29.26 C +ANISOU 562 CZ ARG A 33 3264 2918 4935 404 902 -733 C +ATOM 563 NH1 ARG A 33 -19.576 -8.166 3.832 1.00 29.39 N +ANISOU 563 NH1 ARG A 33 3276 2967 4922 162 1130 -912 N +ATOM 564 NH2 ARG A 33 -20.633 -6.461 4.945 1.00 32.03 N +ANISOU 564 NH2 ARG A 33 3745 3065 5362 528 640 -571 N +ATOM 565 H ARG A 33 -15.201 -5.492 8.317 1.00 15.88 H +ATOM 566 HA ARG A 33 -14.280 -7.712 7.026 1.00 15.76 H +ATOM 567 HB2 ARG A 33 -16.462 -7.894 7.918 1.00 17.69 H +ATOM 568 HB3 ARG A 33 -16.896 -6.627 7.064 1.00 17.69 H +ATOM 569 HG2 ARG A 33 -16.681 -7.807 5.125 1.00 22.83 H +ATOM 570 HG3 ARG A 33 -16.103 -9.059 5.916 1.00 22.83 H +ATOM 571 HD2 ARG A 33 -18.307 -9.489 5.484 1.00 27.54 H +ATOM 572 HD3 ARG A 33 -18.183 -9.215 7.044 1.00 27.54 H +ATOM 573 HE ARG A 33 -19.249 -7.277 6.750 1.00 30.85 H +ATOM 574 HH11 ARG A 33 -19.018 -8.820 3.829 1.00 35.27 H +ATOM 575 HH12 ARG A 33 -20.014 -7.971 3.118 1.00 35.27 H +ATOM 576 HH21 ARG A 33 -20.762 -6.006 5.664 1.00 38.44 H +ATOM 577 HH22 ARG A 33 -21.070 -6.267 4.230 1.00 38.44 H +ATOM 578 N LEU A 34 -13.921 -6.735 4.835 1.00 9.46 N +ANISOU 578 N LEU A 34 1709 1061 823 218 263 182 N +ATOM 579 CA LEU A 34 -13.720 -6.182 3.503 1.00 9.73 C +ANISOU 579 CA LEU A 34 1824 1224 648 161 256 35 C +ATOM 580 C LEU A 34 -14.640 -6.920 2.547 1.00 9.64 C +ANISOU 580 C LEU A 34 1773 1024 865 209 79 131 C +ATOM 581 O LEU A 34 -14.627 -8.155 2.491 1.00 11.47 O +ANISOU 581 O LEU A 34 1981 1033 1346 180 -153 -93 O +ATOM 582 CB LEU A 34 -12.269 -6.367 3.074 1.00 10.29 C +ANISOU 582 CB LEU A 34 1644 1329 935 204 335 185 C +ATOM 583 CG LEU A 34 -11.902 -5.889 1.678 1.00 12.41 C +ANISOU 583 CG LEU A 34 2061 1468 1188 530 675 299 C +ATOM 584 CD1 LEU A 34 -12.098 -4.356 1.607 1.00 14.03 C +ANISOU 584 CD1 LEU A 34 2636 1258 1435 273 792 375 C +ATOM 585 CD2 LEU A 34 -10.484 -6.305 1.320 1.00 14.59 C +ANISOU 585 CD2 LEU A 34 2100 1808 1635 724 897 354 C +ATOM 586 H LEU A 34 -13.538 -7.497 4.944 1.00 11.35 H +ATOM 587 HA LEU A 34 -13.929 -5.234 3.486 1.00 11.68 H +ATOM 588 HB2 LEU A 34 -11.708 -5.880 3.698 1.00 12.35 H +ATOM 589 HB3 LEU A 34 -12.064 -7.314 3.113 1.00 12.35 H +ATOM 590 HG LEU A 34 -12.479 -6.299 1.015 1.00 14.90 H +ATOM 591 HD11 LEU A 34 -11.802 -4.040 0.739 1.00 16.83 H +ATOM 592 HD12 LEU A 34 -13.038 -4.152 1.730 1.00 16.83 H +ATOM 593 HD13 LEU A 34 -11.573 -3.938 2.307 1.00 16.83 H +ATOM 594 HD21 LEU A 34 -10.295 -6.032 0.409 1.00 17.51 H +ATOM 595 HD22 LEU A 34 -9.864 -5.872 1.929 1.00 17.51 H +ATOM 596 HD23 LEU A 34 -10.407 -7.268 1.400 1.00 17.51 H +ATOM 597 N GLU A 35 -15.439 -6.161 1.804 1.00 9.77 N +ANISOU 597 N GLU A 35 1720 1146 844 132 216 -24 N +ATOM 598 CA GLU A 35 -16.342 -6.715 0.811 1.00 10.87 C +ANISOU 598 CA GLU A 35 1903 1259 969 125 131 -17 C +ATOM 599 C GLU A 35 -15.981 -6.143 -0.547 1.00 10.66 C +ANISOU 599 C GLU A 35 2254 1011 786 57 138 -25 C +ATOM 600 O GLU A 35 -15.862 -4.925 -0.694 1.00 12.48 O +ANISOU 600 O GLU A 35 2972 1020 748 146 36 23 O +ATOM 601 CB GLU A 35 -17.787 -6.349 1.125 1.00 13.51 C +ANISOU 601 CB GLU A 35 1960 1743 1429 -181 3 247 C +ATOM 602 CG GLU A 35 -18.799 -6.944 0.172 1.00 21.40 C +ANISOU 602 CG GLU A 35 2990 2494 2645 -237 171 531 C +ATOM 603 CD GLU A 35 -20.216 -6.525 0.503 1.00 28.92 C +ANISOU 603 CD GLU A 35 3835 3537 3615 25 499 547 C +ATOM 604 OE1 GLU A 35 -20.717 -6.919 1.579 1.00 31.60 O +ANISOU 604 OE1 GLU A 35 4258 4042 3706 296 654 454 O +ATOM 605 OE2 GLU A 35 -20.824 -5.791 -0.306 1.00 32.99 O +ANISOU 605 OE2 GLU A 35 4341 3911 4283 22 469 541 O +ATOM 606 H GLU A 35 -15.473 -5.303 1.863 1.00 11.72 H +ATOM 607 HA GLU A 35 -16.252 -7.681 0.796 1.00 13.05 H +ATOM 608 HB2 GLU A 35 -18.001 -6.666 2.017 1.00 16.21 H +ATOM 609 HB3 GLU A 35 -17.878 -5.384 1.086 1.00 16.21 H +ATOM 610 HG2 GLU A 35 -18.600 -6.646 -0.730 1.00 25.68 H +ATOM 611 HG3 GLU A 35 -18.751 -7.911 0.220 1.00 25.68 H +ATOM 612 N VAL A 36 -15.834 -7.017 -1.536 1.00 10.53 N +ANISOU 612 N VAL A 36 2218 1004 778 175 68 67 N +ATOM 613 CA VAL A 36 -15.531 -6.620 -2.905 1.00 10.91 C +ANISOU 613 CA VAL A 36 2255 1183 707 363 60 67 C +ATOM 614 C VAL A 36 -16.543 -7.305 -3.811 1.00 11.58 C +ANISOU 614 C VAL A 36 2519 1073 807 277 49 -138 C +ATOM 615 O VAL A 36 -16.720 -8.526 -3.736 1.00 14.19 O +ANISOU 615 O VAL A 36 3271 1066 1054 173 -297 -46 O +ATOM 616 CB VAL A 36 -14.090 -7.002 -3.294 1.00 12.17 C +ANISOU 616 CB VAL A 36 2323 1422 880 553 -13 -7 C +ATOM 617 CG1 VAL A 36 -13.783 -6.577 -4.717 1.00 13.12 C +ANISOU 617 CG1 VAL A 36 2346 1602 1037 545 131 10 C +ATOM 618 CG2 VAL A 36 -13.079 -6.381 -2.332 1.00 13.52 C +ANISOU 618 CG2 VAL A 36 2372 1541 1222 359 235 376 C +ATOM 619 H VAL A 36 -15.907 -7.868 -1.434 1.00 12.63 H +ATOM 620 HA VAL A 36 -15.625 -5.660 -3.008 1.00 13.09 H +ATOM 621 HB VAL A 36 -14.010 -7.967 -3.238 1.00 14.61 H +ATOM 622 HG11 VAL A 36 -12.835 -6.692 -4.884 1.00 15.75 H +ATOM 623 HG12 VAL A 36 -14.296 -7.129 -5.329 1.00 15.75 H +ATOM 624 HG13 VAL A 36 -14.028 -5.645 -4.828 1.00 15.75 H +ATOM 625 HG21 VAL A 36 -12.183 -6.625 -2.614 1.00 16.22 H +ATOM 626 HG22 VAL A 36 -13.179 -5.417 -2.347 1.00 16.22 H +ATOM 627 HG23 VAL A 36 -13.247 -6.717 -1.437 1.00 16.22 H +ATOM 628 N ARG A 37 -17.223 -6.523 -4.647 1.00 11.09 N +ANISOU 628 N ARG A 37 2251 1149 814 261 -4 -32 N +ATOM 629 CA ARG A 37 -18.170 -7.079 -5.604 1.00 10.80 C +ANISOU 629 CA ARG A 37 1875 1450 779 60 452 117 C +ATOM 630 C ARG A 37 -17.806 -6.597 -6.999 1.00 10.36 C +ANISOU 630 C ARG A 37 1752 1302 882 174 134 98 C +ATOM 631 O ARG A 37 -17.604 -5.400 -7.224 1.00 11.18 O +ANISOU 631 O ARG A 37 2025 1330 892 91 118 75 O +ATOM 632 CB ARG A 37 -19.630 -6.677 -5.330 1.00 16.85 C +ANISOU 632 CB ARG A 37 2619 2005 1780 -18 973 172 C +ATOM 633 CG ARG A 37 -20.641 -7.369 -6.284 1.00 22.63 C +ANISOU 633 CG ARG A 37 3127 2724 2749 49 759 339 C +ATOM 634 CD ARG A 37 -22.103 -6.923 -6.087 1.00 26.61 C +ANISOU 634 CD ARG A 37 3773 3216 3121 117 143 239 C +ATOM 635 NE ARG A 37 -23.012 -7.584 -7.031 1.00 28.38 N +ANISOU 635 NE ARG A 37 3751 3433 3600 30 -147 89 N +ATOM 636 CZ ARG A 37 -23.254 -7.162 -8.273 1.00 29.14 C +ANISOU 636 CZ ARG A 37 3709 3603 3761 -256 -3 170 C +ATOM 637 NH1 ARG A 37 -22.662 -6.069 -8.740 1.00 28.77 N +ANISOU 637 NH1 ARG A 37 3723 3701 3509 -425 58 470 N +ATOM 638 NH2 ARG A 37 -24.091 -7.833 -9.055 1.00 29.09 N +ANISOU 638 NH2 ARG A 37 3480 3682 3890 -368 169 69 N +ATOM 639 H ARG A 37 -17.150 -5.666 -4.675 1.00 13.31 H +ATOM 640 HA ARG A 37 -18.105 -8.045 -5.543 1.00 12.96 H +ATOM 641 HB2 ARG A 37 -19.860 -6.924 -4.421 1.00 20.23 H +ATOM 642 HB3 ARG A 37 -19.719 -5.718 -5.445 1.00 20.23 H +ATOM 643 HG2 ARG A 37 -20.393 -7.166 -7.200 1.00 27.16 H +ATOM 644 HG3 ARG A 37 -20.603 -8.327 -6.134 1.00 27.16 H +ATOM 645 HD2 ARG A 37 -22.386 -7.147 -5.187 1.00 31.93 H +ATOM 646 HD3 ARG A 37 -22.166 -5.965 -6.226 1.00 31.93 H +ATOM 647 HE ARG A 37 -23.418 -8.294 -6.764 1.00 34.06 H +ATOM 648 HH11 ARG A 37 -22.119 -5.628 -8.241 1.00 34.53 H +ATOM 649 HH12 ARG A 37 -22.823 -5.803 -9.542 1.00 34.53 H +ATOM 650 HH21 ARG A 37 -24.480 -8.541 -8.762 1.00 34.91 H +ATOM 651 HH22 ARG A 37 -24.245 -7.558 -9.856 1.00 34.91 H +ATOM 652 N VAL A 38 -17.770 -7.513 -7.955 1.00 10.04 N +ANISOU 652 N VAL A 38 1825 1216 776 77 165 -44 N +ATOM 653 CA VAL A 38 -17.534 -7.115 -9.330 1.00 11.80 C +ANISOU 653 CA VAL A 38 1864 1554 1066 -51 105 -18 C +ATOM 654 C VAL A 38 -18.266 -8.076 -10.237 1.00 11.18 C +ANISOU 654 C VAL A 38 1556 1857 834 263 -77 223 C +ATOM 655 O VAL A 38 -18.383 -9.265 -9.953 1.00 13.75 O +ANISOU 655 O VAL A 38 1989 1940 1296 -135 50 -156 O +ATOM 656 CB VAL A 38 -16.027 -7.059 -9.646 1.00 13.08 C +ANISOU 656 CB VAL A 38 2052 1842 1074 73 -40 -194 C +ATOM 657 CG1 VAL A 38 -15.434 -8.421 -9.480 1.00 12.34 C +ANISOU 657 CG1 VAL A 38 1715 1616 1357 -205 259 -75 C +ATOM 658 CG2 VAL A 38 -15.793 -6.509 -11.029 1.00 15.50 C +ANISOU 658 CG2 VAL A 38 2501 2046 1340 -262 557 -280 C +ATOM 659 H VAL A 38 -17.878 -8.357 -7.831 1.00 12.06 H +ATOM 660 HA VAL A 38 -17.903 -6.231 -9.481 1.00 14.17 H +ATOM 661 HB VAL A 38 -15.581 -6.458 -9.028 1.00 15.69 H +ATOM 662 HG11 VAL A 38 -14.467 -8.350 -9.513 1.00 14.81 H +ATOM 663 HG12 VAL A 38 -15.710 -8.783 -8.624 1.00 14.81 H +ATOM 664 HG13 VAL A 38 -15.749 -8.992 -10.198 1.00 14.81 H +ATOM 665 HG21 VAL A 38 -14.839 -6.473 -11.198 1.00 18.60 H +ATOM 666 HG22 VAL A 38 -16.222 -7.090 -11.677 1.00 18.60 H +ATOM 667 HG23 VAL A 38 -16.173 -5.618 -11.083 1.00 18.60 H +ATOM 668 N GLU A 39 -18.767 -7.543 -11.345 1.00 14.72 N +ANISOU 668 N GLU A 39 1861 2509 1223 474 268 62 N +ATOM 669 CA GLU A 39 -19.369 -8.381 -12.371 1.00 17.37 C +ANISOU 669 CA GLU A 39 2130 3045 1426 162 -166 -308 C +ATOM 670 C GLU A 39 -18.258 -8.767 -13.326 1.00 19.57 C +ANISOU 670 C GLU A 39 2736 3250 1449 -409 488 -148 C +ATOM 671 O GLU A 39 -17.930 -8.033 -14.267 1.00 24.29 O +ANISOU 671 O GLU A 39 3787 3499 1943 -218 1079 158 O +ATOM 672 CB GLU A 39 -20.488 -7.674 -13.114 1.00 18.41 C +ANISOU 672 CB GLU A 39 2228 3335 1431 115 -107 -614 C +ATOM 673 CG GLU A 39 -21.093 -8.532 -14.194 1.00 24.91 C +ANISOU 673 CG GLU A 39 2843 3769 2853 96 1 -430 C +ATOM 674 CD GLU A 39 -22.077 -7.762 -15.021 1.00 27.19 C +ANISOU 674 CD GLU A 39 2807 4224 3299 191 -486 -185 C +ATOM 675 OE1 GLU A 39 -22.253 -8.106 -16.206 1.00 24.84 O +ANISOU 675 OE1 GLU A 39 2222 4402 2813 8 -62 -131 O +ATOM 676 OE2 GLU A 39 -22.676 -6.806 -14.485 1.00 30.69 O +ANISOU 676 OE2 GLU A 39 3202 4348 4113 467 -692 -81 O +ATOM 677 H GLU A 39 -18.770 -6.701 -11.523 1.00 17.67 H +ATOM 678 HA GLU A 39 -19.752 -9.167 -11.951 1.00 20.85 H +ATOM 679 HB2 GLU A 39 -21.189 -7.443 -12.484 1.00 22.09 H +ATOM 680 HB3 GLU A 39 -20.135 -6.871 -13.528 1.00 22.09 H +ATOM 681 HG2 GLU A 39 -20.390 -8.855 -14.779 1.00 29.89 H +ATOM 682 HG3 GLU A 39 -21.556 -9.281 -13.787 1.00 29.89 H +ATOM 683 N GLY A 40 -17.695 -9.931 -13.085 1.00 20.32 N +ANISOU 683 N GLY A 40 2734 3123 1862 -302 78 -319 N +ATOM 684 CA GLY A 40 -16.730 -10.481 -13.989 1.00 19.36 C +ANISOU 684 CA GLY A 40 2768 2679 1910 -322 122 -643 C +ATOM 685 C GLY A 40 -15.430 -9.727 -13.946 1.00 17.06 C +ANISOU 685 C GLY A 40 2656 2179 1646 -630 445 -607 C +ATOM 686 O GLY A 40 -15.345 -8.577 -13.499 1.00 20.04 O +ANISOU 686 O GLY A 40 2637 2303 2674 -641 982 -1142 O +ATOM 687 H GLY A 40 -17.859 -10.421 -12.398 1.00 24.38 H +ATOM 688 HA2 GLY A 40 -16.558 -11.406 -13.754 1.00 23.24 H +ATOM 689 HA3 GLY A 40 -17.078 -10.444 -14.894 1.00 23.24 H +ATOM 690 N GLY A 41 -14.398 -10.398 -14.406 1.00 16.12 N +ANISOU 690 N GLY A 41 2750 1818 1559 -406 231 -347 N +ATOM 691 CA GLY A 41 -13.092 -9.792 -14.467 1.00 15.91 C +ANISOU 691 CA GLY A 41 2448 1591 2008 -166 502 -306 C +ATOM 692 C GLY A 41 -12.137 -10.730 -15.157 1.00 13.50 C +ANISOU 692 C GLY A 41 2482 1310 1337 137 20 -160 C +ATOM 693 O GLY A 41 -12.441 -11.902 -15.409 1.00 16.58 O +ANISOU 693 O GLY A 41 3150 1412 1739 123 278 -282 O +ATOM 694 H GLY A 41 -14.427 -11.209 -14.691 1.00 19.35 H +ATOM 695 HA2 GLY A 41 -13.134 -8.959 -14.962 1.00 19.10 H +ATOM 696 HA3 GLY A 41 -12.767 -9.610 -13.571 1.00 19.10 H +ATOM 697 N THR A 42 -10.967 -10.184 -15.446 1.00 11.82 N +ANISOU 697 N THR A 42 2143 1375 973 160 99 -99 N +ATOM 698 CA THR A 42 -9.913 -10.939 -16.082 1.00 11.77 C +ANISOU 698 CA THR A 42 2273 1411 790 408 270 136 C +ATOM 699 C THR A 42 -9.201 -11.812 -15.060 1.00 11.11 C +ANISOU 699 C THR A 42 2200 1198 822 141 103 18 C +ATOM 700 O THR A 42 -9.352 -11.668 -13.836 1.00 10.32 O +ANISOU 700 O THR A 42 2006 1185 729 -41 134 50 O +ATOM 701 CB THR A 42 -8.860 -10.006 -16.702 1.00 13.99 C +ANISOU 701 CB THR A 42 2604 1598 1113 536 736 344 C +ATOM 702 OG1 THR A 42 -8.227 -9.256 -15.652 1.00 16.13 O +ANISOU 702 OG1 THR A 42 2440 1729 1959 238 687 626 O +ATOM 703 CG2 THR A 42 -9.499 -9.054 -17.722 1.00 16.14 C +ANISOU 703 CG2 THR A 42 3119 1833 1180 923 639 406 C +ATOM 704 H THR A 42 -10.759 -9.366 -15.280 1.00 14.19 H +ATOM 705 HA THR A 42 -10.314 -11.483 -16.777 1.00 14.13 H +ATOM 706 HB THR A 42 -8.193 -10.529 -17.175 1.00 16.79 H +ATOM 707 HG1 THR A 42 -7.671 -8.718 -15.978 1.00 19.36 H +ATOM 708 HG21 THR A 42 -8.834 -8.434 -18.060 1.00 19.37 H +ATOM 709 HG22 THR A 42 -9.864 -9.559 -18.466 1.00 19.37 H +ATOM 710 HG23 THR A 42 -10.215 -8.550 -17.303 1.00 19.37 H +ATOM 711 N AGLU A 43 -8.395 -12.722 -15.590 0.64 10.59 N +ANISOU 711 N AGLU A 43 2137 1172 715 160 151 0 N +ATOM 712 N BGLU A 43 -8.380 -12.722 -15.585 0.36 11.45 N +ANISOU 712 N BGLU A 43 2226 1234 891 100 13 29 N +ATOM 713 CA AGLU A 43 -7.519 -13.504 -14.741 0.64 11.39 C +ANISOU 713 CA AGLU A 43 2321 1073 934 302 115 -43 C +ATOM 714 CA BGLU A 43 -7.510 -13.516 -14.730 0.36 12.33 C +ANISOU 714 CA BGLU A 43 2389 1216 1080 143 8 62 C +ATOM 715 C AGLU A 43 -6.628 -12.616 -13.888 0.64 9.69 C +ANISOU 715 C AGLU A 43 1710 1126 845 126 131 -99 C +ATOM 716 C BGLU A 43 -6.591 -12.634 -13.896 0.36 10.66 C +ANISOU 716 C BGLU A 43 1903 1250 898 20 136 -93 C +ATOM 717 O AGLU A 43 -6.320 -12.970 -12.748 0.64 9.69 O +ANISOU 717 O AGLU A 43 1748 1188 746 143 4 113 O +ATOM 718 O BGLU A 43 -6.214 -13.017 -12.783 0.36 10.46 O +ANISOU 718 O BGLU A 43 1871 1271 834 7 224 -156 O +ATOM 719 CB AGLU A 43 -6.654 -14.399 -15.612 0.64 11.63 C +ANISOU 719 CB AGLU A 43 2488 991 938 211 74 -313 C +ATOM 720 CB BGLU A 43 -6.674 -14.470 -15.582 0.36 14.03 C +ANISOU 720 CB BGLU A 43 2897 1154 1281 86 -32 28 C +ATOM 721 CG AGLU A 43 -5.643 -15.177 -14.823 0.64 16.19 C +ANISOU 721 CG AGLU A 43 3459 1090 1603 382 -93 -124 C +ATOM 722 CG BGLU A 43 -7.458 -15.622 -16.181 0.36 16.54 C +ANISOU 722 CG BGLU A 43 3499 1176 1611 73 -205 -103 C +ATOM 723 H AGLU A 43 -8.335 -12.903 -16.429 0.64 12.71 H +ATOM 724 H BGLU A 43 -8.308 -12.897 -16.424 0.36 13.75 H +ATOM 725 HA AGLU A 43 -8.057 -14.053 -14.149 0.64 13.67 H +ATOM 726 HA BGLU A 43 -8.060 -14.040 -14.127 0.36 14.80 H +ATOM 727 HB2AGLU A 43 -7.223 -15.032 -16.078 0.64 13.95 H +ATOM 728 HB2BGLU A 43 -6.283 -13.968 -16.314 0.36 16.84 H +ATOM 729 HB3AGLU A 43 -6.176 -13.849 -16.252 0.64 13.95 H +ATOM 730 HB3BGLU A 43 -5.974 -14.848 -15.027 0.36 16.84 H +ATOM 731 HG2AGLU A 43 -5.630 -16.092 -15.144 0.64 19.43 H +ATOM 732 HG2BGLU A 43 -7.358 -16.397 -15.606 0.36 19.85 H +ATOM 733 HG3AGLU A 43 -4.772 -14.767 -14.934 0.64 19.43 H +ATOM 734 HG3BGLU A 43 -8.392 -15.370 -16.235 0.36 19.85 H +ATOM 735 N ARG A 44 -6.205 -11.462 -14.409 1.00 10.46 N +ANISOU 735 N ARG A 44 1852 1320 801 -29 185 -33 N +ATOM 736 CA ARG A 44 -5.339 -10.574 -13.637 1.00 8.99 C +ANISOU 736 CA ARG A 44 1545 1048 821 70 147 31 C +ATOM 737 C ARG A 44 -6.046 -10.077 -12.380 1.00 8.76 C +ANISOU 737 C ARG A 44 1428 1051 848 -18 278 -72 C +ATOM 738 O ARG A 44 -5.482 -10.097 -11.272 1.00 8.98 O +ANISOU 738 O ARG A 44 1427 1267 719 60 105 -164 O +ATOM 739 CB ARG A 44 -4.878 -9.404 -14.507 1.00 10.42 C +ANISOU 739 CB ARG A 44 1675 1155 1129 52 395 -56 C +ATOM 740 CG ARG A 44 -3.955 -9.842 -15.642 1.00 10.56 C +ANISOU 740 CG ARG A 44 1824 1238 949 129 505 -59 C +ATOM 741 CD ARG A 44 -3.677 -8.720 -16.640 1.00 11.42 C +ANISOU 741 CD ARG A 44 2007 1301 1031 192 571 77 C +ATOM 742 NE ARG A 44 -2.956 -7.604 -16.044 1.00 10.85 N +ANISOU 742 NE ARG A 44 1751 1305 1065 163 481 -9 N +ATOM 743 CZ ARG A 44 -1.641 -7.574 -15.865 1.00 12.02 C +ANISOU 743 CZ ARG A 44 1765 1422 1380 207 331 -227 C +ATOM 744 NH1 ARG A 44 -0.884 -8.594 -16.256 1.00 13.34 N +ANISOU 744 NH1 ARG A 44 1833 1705 1531 475 24 -399 N +ATOM 745 NH2 ARG A 44 -1.082 -6.512 -15.305 1.00 13.97 N +ANISOU 745 NH2 ARG A 44 2005 1439 1862 95 306 -393 N +ATOM 746 H ARG A 44 -6.401 -11.174 -15.195 1.00 12.55 H +ATOM 747 HA ARG A 44 -4.551 -11.066 -13.360 1.00 10.79 H +ATOM 748 HB2 ARG A 44 -5.655 -8.977 -14.900 1.00 12.50 H +ATOM 749 HB3 ARG A 44 -4.394 -8.771 -13.954 1.00 12.50 H +ATOM 750 HG2 ARG A 44 -3.106 -10.128 -15.268 1.00 12.67 H +ATOM 751 HG3 ARG A 44 -4.369 -10.575 -16.123 1.00 12.67 H +ATOM 752 HD2 ARG A 44 -3.139 -9.069 -17.368 1.00 13.70 H +ATOM 753 HD3 ARG A 44 -4.520 -8.384 -16.982 1.00 13.70 H +ATOM 754 HE ARG A 44 -3.412 -6.920 -15.791 1.00 13.02 H +ATOM 755 HH11 ARG A 44 -1.246 -9.280 -16.628 1.00 16.01 H +ATOM 756 HH12 ARG A 44 -0.032 -8.568 -16.138 1.00 16.01 H +ATOM 757 HH21 ARG A 44 -1.571 -5.848 -15.059 1.00 16.76 H +ATOM 758 HH22 ARG A 44 -0.231 -6.486 -15.186 1.00 16.76 H +ATOM 759 N LEU A 45 -7.298 -9.643 -12.523 1.00 8.03 N +ANISOU 759 N LEU A 45 1371 943 738 72 90 -31 N +ATOM 760 CA LEU A 45 -8.066 -9.217 -11.357 1.00 8.19 C +ANISOU 760 CA LEU A 45 1385 856 872 92 163 -79 C +ATOM 761 C LEU A 45 -8.321 -10.379 -10.406 1.00 7.61 C +ANISOU 761 C LEU A 45 1295 905 691 44 227 188 C +ATOM 762 O LEU A 45 -8.202 -10.239 -9.186 1.00 7.97 O +ANISOU 762 O LEU A 45 1395 947 688 76 190 11 O +ATOM 763 CB LEU A 45 -9.394 -8.617 -11.807 1.00 9.71 C +ANISOU 763 CB LEU A 45 1640 1022 1027 5 332 279 C +ATOM 764 CG LEU A 45 -10.282 -8.148 -10.652 1.00 10.75 C +ANISOU 764 CG LEU A 45 1696 1035 1352 53 332 327 C +ATOM 765 CD1 LEU A 45 -9.591 -7.119 -9.770 1.00 11.29 C +ANISOU 765 CD1 LEU A 45 1810 1012 1468 141 572 102 C +ATOM 766 CD2 LEU A 45 -11.613 -7.612 -11.178 1.00 13.30 C +ANISOU 766 CD2 LEU A 45 1796 1563 1693 199 343 292 C +ATOM 767 H LEU A 45 -7.720 -9.585 -13.270 1.00 9.64 H +ATOM 768 HA LEU A 45 -7.559 -8.540 -10.882 1.00 9.83 H +ATOM 769 HB2 LEU A 45 -9.213 -7.850 -12.372 1.00 11.65 H +ATOM 770 HB3 LEU A 45 -9.886 -9.288 -12.305 1.00 11.65 H +ATOM 771 HG LEU A 45 -10.464 -8.916 -10.088 1.00 12.90 H +ATOM 772 HD11 LEU A 45 -10.241 -6.740 -9.158 1.00 13.55 H +ATOM 773 HD12 LEU A 45 -8.883 -7.556 -9.272 1.00 13.55 H +ATOM 774 HD13 LEU A 45 -9.219 -6.421 -10.332 1.00 13.55 H +ATOM 775 HD21 LEU A 45 -12.151 -7.313 -10.429 1.00 15.96 H +ATOM 776 HD22 LEU A 45 -11.439 -6.870 -11.778 1.00 15.96 H +ATOM 777 HD23 LEU A 45 -12.073 -8.321 -11.654 1.00 15.96 H +ATOM 778 N LYS A 46 -8.704 -11.528 -10.949 1.00 8.33 N +ANISOU 778 N LYS A 46 1642 807 717 -101 240 -35 N +ATOM 779 CA LYS A 46 -9.037 -12.676 -10.118 1.00 8.90 C +ANISOU 779 CA LYS A 46 1467 815 1102 -20 210 70 C +ATOM 780 C LYS A 46 -7.846 -13.100 -9.277 1.00 8.06 C +ANISOU 780 C LYS A 46 1444 810 807 118 322 19 C +ATOM 781 O LYS A 46 -7.993 -13.366 -8.078 1.00 9.51 O +ANISOU 781 O LYS A 46 1811 1164 640 -50 282 112 O +ATOM 782 CB LYS A 46 -9.540 -13.808 -11.011 1.00 8.91 C +ANISOU 782 CB LYS A 46 1567 810 1007 -23 153 -1 C +ATOM 783 CG LYS A 46 -10.941 -13.560 -11.547 1.00 9.63 C +ANISOU 783 CG LYS A 46 1554 1016 1089 -135 258 -65 C +ATOM 784 CD LYS A 46 -11.296 -14.454 -12.720 1.00 9.34 C +ANISOU 784 CD LYS A 46 1569 1143 838 -79 235 -106 C +ATOM 785 CE LYS A 46 -12.756 -14.277 -13.074 1.00 11.17 C +ANISOU 785 CE LYS A 46 1702 1431 1111 -193 214 -197 C +ATOM 786 NZ LYS A 46 -13.167 -15.107 -14.233 1.00 12.55 N +ANISOU 786 NZ LYS A 46 1778 1751 1241 -220 -31 -268 N +ATOM 787 H LYS A 46 -8.781 -11.672 -11.794 1.00 10.00 H +ATOM 788 HA LYS A 46 -9.750 -12.448 -9.501 1.00 10.69 H +ATOM 789 HB2 LYS A 46 -8.941 -13.901 -11.769 1.00 10.69 H +ATOM 790 HB3 LYS A 46 -9.556 -14.631 -10.498 1.00 10.69 H +ATOM 791 HG2 LYS A 46 -11.583 -13.727 -10.839 1.00 11.56 H +ATOM 792 HG3 LYS A 46 -11.006 -12.639 -11.844 1.00 11.56 H +ATOM 793 HD2 LYS A 46 -10.757 -14.215 -13.490 1.00 11.21 H +ATOM 794 HD3 LYS A 46 -11.142 -15.382 -12.484 1.00 11.21 H +ATOM 795 HE2 LYS A 46 -13.300 -14.534 -12.312 1.00 13.40 H +ATOM 796 HE3 LYS A 46 -12.917 -13.347 -13.297 1.00 13.40 H +ATOM 797 HZ1 LYS A 46 -12.687 -14.887 -14.950 1.00 15.07 H +ATOM 798 HZ2 LYS A 46 -13.037 -15.969 -14.052 1.00 15.07 H +ATOM 799 HZ3 LYS A 46 -14.029 -14.976 -14.411 1.00 15.07 H +ATOM 800 N ARG A 47 -6.649 -13.146 -9.873 1.00 8.68 N +ANISOU 800 N ARG A 47 1605 958 734 160 196 124 N +ATOM 801 CA ARG A 47 -5.482 -13.557 -9.098 1.00 9.59 C +ANISOU 801 CA ARG A 47 1661 1196 786 306 405 26 C +ATOM 802 C ARG A 47 -5.133 -12.518 -8.043 1.00 8.77 C +ANISOU 802 C ARG A 47 1385 1016 932 170 333 -5 C +ATOM 803 O ARG A 47 -4.776 -12.872 -6.917 1.00 9.32 O +ANISOU 803 O ARG A 47 1780 1001 760 198 51 177 O +ATOM 804 CB ARG A 47 -4.300 -13.871 -10.010 1.00 13.26 C +ANISOU 804 CB ARG A 47 2022 1785 1231 349 -53 -199 C +ATOM 805 CG ARG A 47 -3.698 -12.738 -10.773 1.00 18.91 C +ANISOU 805 CG ARG A 47 3233 2238 1713 243 -98 -457 C +ATOM 806 CD ARG A 47 -2.806 -13.325 -11.874 1.00 21.28 C +ANISOU 806 CD ARG A 47 3702 2457 1929 250 -141 -339 C +ATOM 807 NE ARG A 47 -2.075 -12.303 -12.617 1.00 21.05 N +ANISOU 807 NE ARG A 47 3421 2441 2135 294 269 -53 N +ATOM 808 CZ ARG A 47 -1.552 -12.476 -13.827 1.00 24.55 C +ANISOU 808 CZ ARG A 47 4201 2551 2574 592 206 242 C +ATOM 809 NH1 ARG A 47 -1.679 -13.638 -14.448 1.00 25.94 N +ANISOU 809 NH1 ARG A 47 4607 2596 2651 902 846 45 N +ATOM 810 NH2 ARG A 47 -0.904 -11.482 -14.416 1.00 27.59 N +ANISOU 810 NH2 ARG A 47 4750 2694 3039 456 -60 225 N +ATOM 811 H ARG A 47 -6.492 -12.950 -10.696 1.00 10.42 H +ATOM 812 HA ARG A 47 -5.690 -14.383 -8.634 1.00 11.51 H +ATOM 813 HB2 ARG A 47 -3.594 -14.246 -9.461 1.00 15.91 H +ATOM 814 HB3 ARG A 47 -4.595 -14.524 -10.664 1.00 15.91 H +ATOM 815 HG2 ARG A 47 -4.395 -12.201 -11.180 1.00 22.69 H +ATOM 816 HG3 ARG A 47 -3.157 -12.188 -10.184 1.00 22.69 H +ATOM 817 HD2 ARG A 47 -2.157 -13.922 -11.470 1.00 25.54 H +ATOM 818 HD3 ARG A 47 -3.360 -13.813 -12.503 1.00 25.54 H +ATOM 819 HE ARG A 47 -1.975 -11.534 -12.246 1.00 25.26 H +ATOM 820 HH11 ARG A 47 -2.102 -14.284 -14.069 1.00 31.12 H +ATOM 821 HH12 ARG A 47 -1.340 -13.746 -15.231 1.00 31.12 H +ATOM 822 HH21 ARG A 47 -0.822 -10.726 -14.016 1.00 33.11 H +ATOM 823 HH22 ARG A 47 -0.566 -11.594 -15.199 1.00 33.11 H +ATOM 824 N PHE A 48 -5.274 -11.233 -8.368 1.00 8.23 N +ANISOU 824 N PHE A 48 1286 1022 818 170 282 61 N +ATOM 825 CA PHE A 48 -5.007 -10.200 -7.373 1.00 8.34 C +ANISOU 825 CA PHE A 48 1247 1086 837 120 249 115 C +ATOM 826 C PHE A 48 -5.947 -10.345 -6.178 1.00 7.63 C +ANISOU 826 C PHE A 48 1230 921 749 9 142 -35 C +ATOM 827 O PHE A 48 -5.520 -10.263 -5.018 1.00 8.14 O +ANISOU 827 O PHE A 48 1289 1102 702 7 198 -3 O +ATOM 828 CB PHE A 48 -5.161 -8.818 -8.012 1.00 8.72 C +ANISOU 828 CB PHE A 48 1254 1147 910 49 291 86 C +ATOM 829 CG PHE A 48 -4.726 -7.705 -7.112 1.00 8.78 C +ANISOU 829 CG PHE A 48 1315 1008 1013 188 134 173 C +ATOM 830 CD1 PHE A 48 -3.442 -7.198 -7.204 1.00 10.76 C +ANISOU 830 CD1 PHE A 48 1680 1123 1285 60 82 90 C +ATOM 831 CD2 PHE A 48 -5.586 -7.175 -6.168 1.00 9.76 C +ANISOU 831 CD2 PHE A 48 1597 1044 1068 105 263 -41 C +ATOM 832 CE1 PHE A 48 -3.023 -6.175 -6.374 1.00 12.83 C +ANISOU 832 CE1 PHE A 48 1930 1263 1682 -128 48 83 C +ATOM 833 CE2 PHE A 48 -5.168 -6.149 -5.323 1.00 12.29 C +ANISOU 833 CE2 PHE A 48 2099 1214 1355 291 118 36 C +ATOM 834 CZ PHE A 48 -3.885 -5.665 -5.421 1.00 12.72 C +ANISOU 834 CZ PHE A 48 2176 1188 1469 34 27 -15 C +ATOM 835 H PHE A 48 -5.517 -10.939 -9.139 1.00 9.87 H +ATOM 836 HA PHE A 48 -4.095 -10.287 -7.056 1.00 10.02 H +ATOM 837 HB2 PHE A 48 -4.620 -8.781 -8.816 1.00 10.46 H +ATOM 838 HB3 PHE A 48 -6.094 -8.677 -8.233 1.00 10.46 H +ATOM 839 HD1 PHE A 48 -2.854 -7.549 -7.832 1.00 12.91 H +ATOM 840 HD2 PHE A 48 -6.452 -7.506 -6.096 1.00 11.72 H +ATOM 841 HE1 PHE A 48 -2.163 -5.831 -6.456 1.00 15.40 H +ATOM 842 HE2 PHE A 48 -5.754 -5.792 -4.696 1.00 14.75 H +ATOM 843 HZ PHE A 48 -3.596 -4.994 -4.846 1.00 15.27 H +ATOM 844 N LEU A 49 -7.233 -10.585 -6.439 1.00 7.65 N +ANISOU 844 N LEU A 49 1225 898 783 34 144 -119 N +ATOM 845 CA LEU A 49 -8.209 -10.695 -5.362 1.00 7.79 C +ANISOU 845 CA LEU A 49 1234 954 770 -178 278 -41 C +ATOM 846 C LEU A 49 -8.016 -11.971 -4.552 1.00 8.06 C +ANISOU 846 C LEU A 49 1385 921 755 -49 232 0 C +ATOM 847 O LEU A 49 -8.189 -11.956 -3.329 1.00 8.77 O +ANISOU 847 O LEU A 49 1578 1113 643 4 244 133 O +ATOM 848 CB LEU A 49 -9.623 -10.620 -5.939 1.00 8.56 C +ANISOU 848 CB LEU A 49 1296 1220 735 2 402 -9 C +ATOM 849 CG LEU A 49 -10.027 -9.256 -6.499 1.00 10.01 C +ANISOU 849 CG LEU A 49 1474 1197 1131 129 346 263 C +ATOM 850 CD1 LEU A 49 -11.405 -9.336 -7.121 1.00 12.33 C +ANISOU 850 CD1 LEU A 49 1755 1454 1474 93 350 507 C +ATOM 851 CD2 LEU A 49 -9.985 -8.162 -5.456 1.00 11.19 C +ANISOU 851 CD2 LEU A 49 1470 1353 1427 178 304 66 C +ATOM 852 H LEU A 49 -7.564 -10.688 -7.226 1.00 9.18 H +ATOM 853 HA LEU A 49 -8.091 -9.949 -4.753 1.00 9.35 H +ATOM 854 HB2 LEU A 49 -9.692 -11.263 -6.662 1.00 10.27 H +ATOM 855 HB3 LEU A 49 -10.252 -10.843 -5.235 1.00 10.27 H +ATOM 856 HG LEU A 49 -9.381 -9.014 -7.180 1.00 12.01 H +ATOM 857 HD11 LEU A 49 -11.644 -8.464 -7.471 1.00 14.79 H +ATOM 858 HD12 LEU A 49 -11.389 -9.988 -7.839 1.00 14.79 H +ATOM 859 HD13 LEU A 49 -12.043 -9.606 -6.443 1.00 14.79 H +ATOM 860 HD21 LEU A 49 -10.402 -7.364 -5.819 1.00 13.43 H +ATOM 861 HD22 LEU A 49 -10.467 -8.458 -4.668 1.00 13.43 H +ATOM 862 HD23 LEU A 49 -9.060 -7.978 -5.229 1.00 13.43 H +ATOM 863 N GLU A 50 -7.641 -13.078 -5.203 1.00 9.10 N +ANISOU 863 N GLU A 50 1663 1061 736 5 171 205 N +ATOM 864 CA GLU A 50 -7.356 -14.301 -4.461 1.00 9.88 C +ANISOU 864 CA GLU A 50 1722 1170 864 -7 232 -213 C +ATOM 865 C GLU A 50 -6.204 -14.094 -3.491 1.00 9.09 C +ANISOU 865 C GLU A 50 1549 1060 845 77 135 -62 C +ATOM 866 O GLU A 50 -6.257 -14.545 -2.341 1.00 9.84 O +ANISOU 866 O GLU A 50 1914 1128 698 108 131 157 O +ATOM 867 CB GLU A 50 -6.989 -15.420 -5.429 1.00 15.24 C +ANISOU 867 CB GLU A 50 2394 1645 1751 50 489 866 C +ATOM 868 CG GLU A 50 -8.127 -15.987 -6.230 1.00 22.02 C +ANISOU 868 CG GLU A 50 3078 2518 2771 -24 492 868 C +ATOM 869 CD GLU A 50 -7.676 -17.152 -7.091 1.00 27.70 C +ANISOU 869 CD GLU A 50 3778 3216 3530 -53 99 40 C +ATOM 870 OE1 GLU A 50 -6.537 -17.636 -6.896 1.00 29.35 O +ANISOU 870 OE1 GLU A 50 4158 3140 3852 51 388 -551 O +ATOM 871 OE2 GLU A 50 -8.460 -17.590 -7.954 1.00 30.80 O +ANISOU 871 OE2 GLU A 50 4190 3652 3861 -331 113 -243 O +ATOM 872 H GLU A 50 -7.546 -13.144 -6.055 1.00 10.93 H +ATOM 873 HA GLU A 50 -8.152 -14.553 -3.967 1.00 11.86 H +ATOM 874 HB2 GLU A 50 -6.336 -15.075 -6.059 1.00 18.29 H +ATOM 875 HB3 GLU A 50 -6.604 -16.149 -4.918 1.00 18.29 H +ATOM 876 HG2 GLU A 50 -8.818 -16.303 -5.627 1.00 26.43 H +ATOM 877 HG3 GLU A 50 -8.485 -15.298 -6.812 1.00 26.43 H +ATOM 878 N GLU A 51 -5.146 -13.427 -3.951 1.00 9.17 N +ANISOU 878 N GLU A 51 1580 1082 822 40 126 -55 N +ATOM 879 CA GLU A 51 -3.977 -13.177 -3.117 1.00 9.87 C +ANISOU 879 CA GLU A 51 1631 1208 913 -8 232 53 C +ATOM 880 C GLU A 51 -4.309 -12.212 -1.986 1.00 9.30 C +ANISOU 880 C GLU A 51 1648 1092 792 44 145 48 C +ATOM 881 O GLU A 51 -3.883 -12.411 -0.840 1.00 10.08 O +ANISOU 881 O GLU A 51 1610 1367 852 139 38 -75 O +ATOM 882 CB GLU A 51 -2.842 -12.649 -4.002 1.00 11.74 C +ANISOU 882 CB GLU A 51 1582 1692 1188 -52 154 -130 C +ATOM 883 CG GLU A 51 -2.181 -13.722 -4.861 1.00 17.04 C +ANISOU 883 CG GLU A 51 2299 2194 1981 156 181 61 C +ATOM 884 H GLU A 51 -5.078 -13.106 -4.747 1.00 11.01 H +ATOM 885 HA GLU A 51 -3.675 -14.001 -2.705 1.00 11.85 H +ATOM 886 HB2 GLU A 51 -3.200 -11.972 -4.597 1.00 14.09 H +ATOM 887 HB3 GLU A 51 -2.158 -12.262 -3.433 1.00 14.09 H +ATOM 888 HG2 GLU A 51 -2.836 -14.407 -5.071 1.00 20.45 H +ATOM 889 HG3 GLU A 51 -1.851 -13.317 -5.679 1.00 20.45 H +ATOM 890 N LEU A 52 -5.083 -11.169 -2.282 1.00 9.23 N +ANISOU 890 N LEU A 52 1612 1218 678 106 189 18 N +ATOM 891 CA LEU A 52 -5.501 -10.237 -1.239 1.00 9.18 C +ANISOU 891 CA LEU A 52 1499 1033 958 -7 178 -33 C +ATOM 892 C LEU A 52 -6.310 -10.947 -0.159 1.00 8.27 C +ANISOU 892 C LEU A 52 1699 894 551 51 295 140 C +ATOM 893 O LEU A 52 -6.071 -10.762 1.042 1.00 9.71 O +ANISOU 893 O LEU A 52 1721 1199 769 24 165 100 O +ATOM 894 CB LEU A 52 -6.322 -9.119 -1.873 1.00 10.43 C +ANISOU 894 CB LEU A 52 1790 1104 1070 204 361 56 C +ATOM 895 CG LEU A 52 -6.914 -8.095 -0.919 1.00 13.15 C +ANISOU 895 CG LEU A 52 2602 1196 1199 281 642 -243 C +ATOM 896 CD1 LEU A 52 -5.831 -7.385 -0.121 1.00 17.11 C +ANISOU 896 CD1 LEU A 52 3202 1268 2030 -27 578 -490 C +ATOM 897 CD2 LEU A 52 -7.733 -7.109 -1.722 1.00 14.60 C +ANISOU 897 CD2 LEU A 52 2942 1243 1362 588 747 109 C +ATOM 898 H LEU A 52 -5.376 -10.979 -3.068 1.00 11.08 H +ATOM 899 HA LEU A 52 -4.717 -9.852 -0.818 1.00 11.02 H +ATOM 900 HB2 LEU A 52 -5.750 -8.637 -2.491 1.00 12.52 H +ATOM 901 HB3 LEU A 52 -7.062 -9.523 -2.353 1.00 12.52 H +ATOM 902 HG LEU A 52 -7.484 -8.537 -0.271 1.00 15.78 H +ATOM 903 HD11 LEU A 52 -6.234 -6.663 0.386 1.00 20.53 H +ATOM 904 HD12 LEU A 52 -5.415 -8.021 0.482 1.00 20.53 H +ATOM 905 HD13 LEU A 52 -5.169 -7.029 -0.734 1.00 20.53 H +ATOM 906 HD21 LEU A 52 -8.120 -6.455 -1.120 1.00 17.52 H +ATOM 907 HD22 LEU A 52 -7.155 -6.667 -2.364 1.00 17.52 H +ATOM 908 HD23 LEU A 52 -8.437 -7.588 -2.187 1.00 17.52 H +ATOM 909 N ARG A 53 -7.277 -11.766 -0.570 1.00 8.51 N +ANISOU 909 N ARG A 53 1570 961 702 -28 133 -50 N +ATOM 910 CA ARG A 53 -8.087 -12.495 0.396 1.00 8.35 C +ANISOU 910 CA ARG A 53 1564 917 691 -29 71 -74 C +ATOM 911 C ARG A 53 -7.225 -13.410 1.257 1.00 9.38 C +ANISOU 911 C ARG A 53 1760 950 853 33 140 108 C +ATOM 912 O ARG A 53 -7.393 -13.461 2.478 1.00 9.38 O +ANISOU 912 O ARG A 53 1662 1182 720 -105 158 112 O +ATOM 913 CB ARG A 53 -9.179 -13.279 -0.333 1.00 9.35 C +ANISOU 913 CB ARG A 53 1698 1085 769 -90 206 60 C +ATOM 914 CG ARG A 53 -10.001 -14.146 0.613 1.00 9.55 C +ANISOU 914 CG ARG A 53 1546 1237 846 -226 41 35 C +ATOM 915 CD ARG A 53 -11.222 -14.736 -0.040 1.00 9.68 C +ANISOU 915 CD ARG A 53 1537 1171 972 -38 152 -97 C +ATOM 916 NE ARG A 53 -10.835 -15.722 -1.044 1.00 9.94 N +ANISOU 916 NE ARG A 53 1587 1048 1140 -93 -12 -31 N +ATOM 917 CZ ARG A 53 -11.680 -16.321 -1.873 1.00 10.10 C +ANISOU 917 CZ ARG A 53 1842 1053 944 -60 256 -105 C +ATOM 918 NH1 ARG A 53 -12.970 -16.043 -1.841 1.00 10.73 N +ANISOU 918 NH1 ARG A 53 1833 1250 993 -51 159 -150 N +ATOM 919 NH2 ARG A 53 -11.227 -17.209 -2.742 1.00 11.89 N +ANISOU 919 NH2 ARG A 53 1973 1284 1261 55 54 -178 N +ATOM 920 H ARG A 53 -7.483 -11.915 -1.392 1.00 10.21 H +ATOM 921 HA ARG A 53 -8.523 -11.865 0.990 1.00 10.02 H +ATOM 922 HB2 ARG A 53 -9.780 -12.654 -0.769 1.00 11.22 H +ATOM 923 HB3 ARG A 53 -8.767 -13.858 -0.992 1.00 11.22 H +ATOM 924 HG2 ARG A 53 -9.449 -14.878 0.930 1.00 11.46 H +ATOM 925 HG3 ARG A 53 -10.295 -13.604 1.362 1.00 11.46 H +ATOM 926 HD2 ARG A 53 -11.769 -15.174 0.630 1.00 11.62 H +ATOM 927 HD3 ARG A 53 -11.730 -14.033 -0.475 1.00 11.62 H +ATOM 928 HE ARG A 53 -10.003 -15.929 -1.102 1.00 11.93 H +ATOM 929 HH11 ARG A 53 -13.271 -15.467 -1.278 1.00 12.87 H +ATOM 930 HH12 ARG A 53 -13.509 -16.437 -2.383 1.00 12.87 H +ATOM 931 HH21 ARG A 53 -10.388 -17.396 -2.768 1.00 14.27 H +ATOM 932 HH22 ARG A 53 -11.772 -17.600 -3.281 1.00 14.27 H +ATOM 933 N GLN A 54 -6.278 -14.120 0.645 1.00 9.12 N +ANISOU 933 N GLN A 54 1680 988 797 223 73 70 N +ATOM 934 CA GLN A 54 -5.447 -15.036 1.423 1.00 10.08 C +ANISOU 934 CA GLN A 54 1810 1075 944 371 190 83 C +ATOM 935 C GLN A 54 -4.622 -14.283 2.460 1.00 10.15 C +ANISOU 935 C GLN A 54 1628 1295 934 316 67 -8 C +ATOM 936 O GLN A 54 -4.512 -14.709 3.621 1.00 11.32 O +ANISOU 936 O GLN A 54 1929 1415 956 191 -62 187 O +ATOM 937 CB GLN A 54 -4.547 -15.805 0.468 1.00 12.57 C +ANISOU 937 CB GLN A 54 2309 1281 1185 440 66 49 C +ATOM 938 CG GLN A 54 -3.833 -16.959 1.097 1.00 17.71 C +ANISOU 938 CG GLN A 54 2942 2113 1675 597 -74 41 C +ATOM 939 CD GLN A 54 -3.137 -17.793 0.059 1.00 26.43 C +ANISOU 939 CD GLN A 54 4296 2781 2965 843 44 -44 C +ATOM 940 OE1 GLN A 54 -3.784 -18.435 -0.764 1.00 27.66 O +ANISOU 940 OE1 GLN A 54 5007 2902 2601 1022 -315 -309 O +ATOM 941 NE2 GLN A 54 -1.811 -17.774 0.074 1.00 32.38 N +ANISOU 941 NE2 GLN A 54 4964 3219 4121 540 439 -17 N +ATOM 942 H GLN A 54 -6.098 -14.092 -0.196 1.00 10.94 H +ATOM 943 HA GLN A 54 -6.008 -15.667 1.901 1.00 12.10 H +ATOM 944 HB2 GLN A 54 -5.090 -16.155 -0.256 1.00 15.08 H +ATOM 945 HB3 GLN A 54 -3.876 -15.199 0.117 1.00 15.08 H +ATOM 946 HG2 GLN A 54 -3.168 -16.625 1.719 1.00 21.26 H +ATOM 947 HG3 GLN A 54 -4.472 -17.519 1.564 1.00 21.26 H +ATOM 948 HE21 GLN A 54 -1.395 -17.300 0.657 1.00 38.86 H +ATOM 949 HE22 GLN A 54 -1.369 -18.236 -0.501 1.00 38.86 H +ATOM 950 N LYS A 55 -4.045 -13.155 2.060 1.00 10.37 N +ANISOU 950 N LYS A 55 1527 1326 1087 180 -1 131 N +ATOM 951 CA LYS A 55 -3.208 -12.371 2.957 1.00 11.06 C +ANISOU 951 CA LYS A 55 1499 1524 1178 121 -31 -29 C +ATOM 952 C LYS A 55 -4.010 -11.836 4.136 1.00 10.41 C +ANISOU 952 C LYS A 55 1772 1250 934 229 78 -43 C +ATOM 953 O LYS A 55 -3.538 -11.859 5.278 1.00 12.54 O +ANISOU 953 O LYS A 55 2103 1588 1073 154 -216 43 O +ATOM 954 CB LYS A 55 -2.603 -11.216 2.158 1.00 14.34 C +ANISOU 954 CB LYS A 55 1787 1998 1661 -358 348 -210 C +ATOM 955 CG LYS A 55 -1.641 -10.326 2.909 1.00 19.24 C +ANISOU 955 CG LYS A 55 2848 2223 2238 -686 339 236 C +ATOM 956 H LYS A 55 -4.122 -12.818 1.273 1.00 12.45 H +ATOM 957 HA LYS A 55 -2.497 -12.925 3.315 1.00 13.27 H +ATOM 958 HB2 LYS A 55 -2.119 -11.589 1.405 1.00 17.20 H +ATOM 959 HB3 LYS A 55 -3.327 -10.654 1.842 1.00 17.20 H +ATOM 960 N LEU A 56 -5.234 -11.366 3.890 1.00 9.29 N +ANISOU 960 N LEU A 56 1784 1025 720 184 68 -180 N +ATOM 961 CA LEU A 56 -6.035 -10.780 4.959 1.00 9.99 C +ANISOU 961 CA LEU A 56 1866 1048 882 27 -10 57 C +ATOM 962 C LEU A 56 -6.693 -11.844 5.834 1.00 9.47 C +ANISOU 962 C LEU A 56 1916 1058 623 77 9 145 C +ATOM 963 O LEU A 56 -6.787 -11.672 7.055 1.00 10.40 O +ANISOU 963 O LEU A 56 2140 1182 629 -25 57 -3 O +ATOM 964 CB LEU A 56 -7.085 -9.831 4.378 1.00 10.73 C +ANISOU 964 CB LEU A 56 2069 1053 957 -71 274 -30 C +ATOM 965 CG LEU A 56 -6.516 -8.521 3.839 1.00 13.31 C +ANISOU 965 CG LEU A 56 2458 1203 1395 -139 144 98 C +ATOM 966 CD1 LEU A 56 -7.596 -7.686 3.150 1.00 13.86 C +ANISOU 966 CD1 LEU A 56 2428 1134 1705 392 550 140 C +ATOM 967 CD2 LEU A 56 -5.846 -7.689 4.912 1.00 17.44 C +ANISOU 967 CD2 LEU A 56 3015 1598 2014 -546 -153 209 C +ATOM 968 H LEU A 56 -5.620 -11.375 3.122 1.00 11.15 H +ATOM 969 HA LEU A 56 -5.448 -10.258 5.528 1.00 11.99 H +ATOM 970 HB2 LEU A 56 -7.536 -10.280 3.645 1.00 12.88 H +ATOM 971 HB3 LEU A 56 -7.723 -9.611 5.075 1.00 12.88 H +ATOM 972 HG LEU A 56 -5.839 -8.763 3.188 1.00 15.97 H +ATOM 973 HD11 LEU A 56 -7.183 -6.905 2.749 1.00 16.64 H +ATOM 974 HD12 LEU A 56 -8.022 -8.224 2.465 1.00 16.64 H +ATOM 975 HD13 LEU A 56 -8.251 -7.411 3.810 1.00 16.64 H +ATOM 976 HD21 LEU A 56 -6.043 -6.752 4.755 1.00 20.93 H +ATOM 977 HD22 LEU A 56 -6.187 -7.958 5.779 1.00 20.93 H +ATOM 978 HD23 LEU A 56 -4.888 -7.836 4.873 1.00 20.93 H +ATOM 979 N GLU A 57 -7.155 -12.951 5.250 1.00 9.90 N +ANISOU 979 N GLU A 57 1927 1127 709 -133 147 -79 N +ATOM 980 CA GLU A 57 -7.726 -14.004 6.078 1.00 10.20 C +ANISOU 980 CA GLU A 57 2026 974 876 -12 47 90 C +ATOM 981 C GLU A 57 -6.690 -14.560 7.045 1.00 10.62 C +ANISOU 981 C GLU A 57 2010 1187 840 228 -87 28 C +ATOM 982 O GLU A 57 -7.035 -14.941 8.167 1.00 12.04 O +ANISOU 982 O GLU A 57 2300 1466 809 12 -96 284 O +ATOM 983 CB GLU A 57 -8.312 -15.103 5.194 1.00 11.02 C +ANISOU 983 CB GLU A 57 2268 939 980 -52 240 125 C +ATOM 984 CG GLU A 57 -9.640 -14.728 4.548 1.00 11.39 C +ANISOU 984 CG GLU A 57 2225 1200 903 46 204 109 C +ATOM 985 CD GLU A 57 -10.264 -15.856 3.749 1.00 12.79 C +ANISOU 985 CD GLU A 57 2006 1533 1321 161 71 -237 C +ATOM 986 OE1 GLU A 57 -9.595 -16.884 3.542 1.00 16.12 O +ANISOU 986 OE1 GLU A 57 2199 1721 2204 309 -313 -603 O +ATOM 987 OE2 GLU A 57 -11.437 -15.728 3.344 1.00 12.48 O +ANISOU 987 OE2 GLU A 57 1974 1652 1115 5 249 -260 O +ATOM 988 H GLU A 57 -7.149 -13.111 4.405 1.00 11.89 H +ATOM 989 HA GLU A 57 -8.457 -13.645 6.605 1.00 12.24 H +ATOM 990 HB2 GLU A 57 -7.682 -15.301 4.484 1.00 13.23 H +ATOM 991 HB3 GLU A 57 -8.459 -15.894 5.736 1.00 13.23 H +ATOM 992 HG2 GLU A 57 -10.267 -14.476 5.244 1.00 13.67 H +ATOM 993 HG3 GLU A 57 -9.495 -13.982 3.945 1.00 13.67 H +ATOM 994 N LYS A 58 -5.415 -14.589 6.647 1.00 11.51 N +ANISOU 994 N LYS A 58 2265 1295 814 459 -13 72 N +ATOM 995 CA LYS A 58 -4.371 -15.076 7.539 1.00 12.71 C +ANISOU 995 CA LYS A 58 2072 1593 1163 511 -29 -42 C +ATOM 996 C LYS A 58 -4.246 -14.212 8.781 1.00 12.48 C +ANISOU 996 C LYS A 58 2214 1735 793 342 70 66 C +ATOM 997 O LYS A 58 -3.788 -14.689 9.822 1.00 15.45 O +ANISOU 997 O LYS A 58 2778 2010 1081 628 -24 66 O +ATOM 998 CB LYS A 58 -3.033 -15.096 6.807 1.00 18.15 C +ANISOU 998 CB LYS A 58 2641 2113 2141 1147 177 -409 C +ATOM 999 CG LYS A 58 -1.881 -15.562 7.662 1.00 22.09 C +ANISOU 999 CG LYS A 58 2947 2649 2799 1159 -79 -153 C +ATOM 1000 H LYS A 58 -5.133 -14.335 5.875 1.00 13.82 H +ATOM 1001 HA LYS A 58 -4.597 -15.979 7.811 1.00 15.25 H +ATOM 1002 HB2 LYS A 58 -3.101 -15.697 6.049 1.00 21.78 H +ATOM 1003 HB3 LYS A 58 -2.831 -14.198 6.501 1.00 21.78 H +ATOM 1004 N LYS A 59 -4.611 -12.942 8.681 1.00 10.96 N +ANISOU 1004 N LYS A 59 1724 1628 813 336 -6 25 N +ATOM 1005 CA LYS A 59 -4.587 -12.019 9.803 1.00 11.62 C +ANISOU 1005 CA LYS A 59 1635 1772 1007 151 -51 -141 C +ATOM 1006 C LYS A 59 -5.907 -11.982 10.559 1.00 10.66 C +ANISOU 1006 C LYS A 59 1610 1648 793 242 -92 21 C +ATOM 1007 O LYS A 59 -6.022 -11.231 11.533 1.00 11.65 O +ANISOU 1007 O LYS A 59 1718 1745 964 315 112 -229 O +ATOM 1008 CB LYS A 59 -4.229 -10.623 9.298 1.00 13.24 C +ANISOU 1008 CB LYS A 59 1720 1892 1420 -127 425 -503 C +ATOM 1009 CG LYS A 59 -2.833 -10.549 8.716 1.00 15.95 C +ANISOU 1009 CG LYS A 59 2190 2041 1828 -444 516 -581 C +ATOM 1010 CD LYS A 59 -2.488 -9.150 8.221 1.00 19.02 C +ANISOU 1010 CD LYS A 59 2460 2032 2736 -533 356 -569 C +ATOM 1011 H LYS A 59 -4.885 -12.582 7.950 1.00 13.15 H +ATOM 1012 HA LYS A 59 -3.904 -12.294 10.434 1.00 13.94 H +ATOM 1013 HB2 LYS A 59 -4.857 -10.367 8.604 1.00 15.89 H +ATOM 1014 HB3 LYS A 59 -4.279 -9.997 10.037 1.00 15.89 H +ATOM 1015 HG2 LYS A 59 -2.190 -10.795 9.400 1.00 19.14 H +ATOM 1016 HG3 LYS A 59 -2.769 -11.160 7.965 1.00 19.14 H +ATOM 1017 N GLY A 60 -6.891 -12.779 10.155 1.00 10.82 N +ANISOU 1017 N GLY A 60 1579 1701 830 202 204 202 N +ATOM 1018 CA GLY A 60 -8.150 -12.851 10.866 1.00 11.26 C +ANISOU 1018 CA GLY A 60 1651 1648 981 424 -20 128 C +ATOM 1019 C GLY A 60 -9.234 -11.922 10.372 1.00 11.00 C +ANISOU 1019 C GLY A 60 1558 1719 900 264 315 102 C +ATOM 1020 O GLY A 60 -10.311 -11.879 10.981 1.00 12.52 O +ANISOU 1020 O GLY A 60 1959 1874 924 177 164 332 O +ATOM 1021 H GLY A 60 -6.848 -13.291 9.465 1.00 12.98 H +ATOM 1022 HA2 GLY A 60 -8.489 -13.757 10.799 1.00 13.52 H +ATOM 1023 HA3 GLY A 60 -7.989 -12.642 11.799 1.00 13.52 H +ATOM 1024 N TYR A 61 -9.004 -11.198 9.278 1.00 9.93 N +ANISOU 1024 N TYR A 61 1460 1606 708 197 104 78 N +ATOM 1025 CA TYR A 61 -10.051 -10.372 8.703 1.00 10.09 C +ANISOU 1025 CA TYR A 61 1515 1519 801 125 46 141 C +ATOM 1026 C TYR A 61 -11.067 -11.248 7.980 1.00 10.11 C +ANISOU 1026 C TYR A 61 1536 1523 781 207 169 60 C +ATOM 1027 O TYR A 61 -10.746 -12.329 7.484 1.00 11.61 O +ANISOU 1027 O TYR A 61 1639 1598 1175 236 261 8 O +ATOM 1028 CB TYR A 61 -9.461 -9.365 7.710 1.00 10.36 C +ANISOU 1028 CB TYR A 61 1837 1398 700 169 327 316 C +ATOM 1029 CG TYR A 61 -8.560 -8.356 8.368 1.00 10.69 C +ANISOU 1029 CG TYR A 61 1784 1424 855 3 351 230 C +ATOM 1030 CD1 TYR A 61 -9.090 -7.242 9.020 1.00 11.07 C +ANISOU 1030 CD1 TYR A 61 1879 1327 999 138 506 186 C +ATOM 1031 CD2 TYR A 61 -7.188 -8.535 8.388 1.00 11.79 C +ANISOU 1031 CD2 TYR A 61 1996 1395 1090 -54 532 18 C +ATOM 1032 CE1 TYR A 61 -8.276 -6.325 9.640 1.00 11.44 C +ANISOU 1032 CE1 TYR A 61 2015 1169 1163 24 529 158 C +ATOM 1033 CE2 TYR A 61 -6.365 -7.619 9.013 1.00 12.88 C +ANISOU 1033 CE2 TYR A 61 2051 1338 1505 -210 280 -127 C +ATOM 1034 CZ TYR A 61 -6.917 -6.526 9.651 1.00 12.60 C +ANISOU 1034 CZ TYR A 61 2122 1202 1464 -132 700 -17 C +ATOM 1035 OH TYR A 61 -6.095 -5.622 10.272 1.00 15.70 O +ANISOU 1035 OH TYR A 61 2471 1461 2033 -348 865 -454 O +ATOM 1036 H TYR A 61 -8.255 -11.171 8.856 1.00 11.92 H +ATOM 1037 HA TYR A 61 -10.499 -9.880 9.408 1.00 12.11 H +ATOM 1038 HB2 TYR A 61 -8.941 -9.844 7.046 1.00 12.43 H +ATOM 1039 HB3 TYR A 61 -10.186 -8.885 7.280 1.00 12.43 H +ATOM 1040 HD1 TYR A 61 -10.012 -7.117 9.034 1.00 13.28 H +ATOM 1041 HD2 TYR A 61 -6.816 -9.281 7.976 1.00 14.15 H +ATOM 1042 HE1 TYR A 61 -8.641 -5.575 10.050 1.00 13.73 H +ATOM 1043 HE2 TYR A 61 -5.443 -7.738 9.005 1.00 15.46 H +ATOM 1044 HH TYR A 61 -6.553 -5.013 10.626 1.00 18.84 H +ATOM 1045 N THR A 62 -12.305 -10.775 7.928 1.00 9.89 N +ANISOU 1045 N THR A 62 1553 1260 944 200 115 -1 N +ATOM 1046 CA THR A 62 -13.312 -11.380 7.069 1.00 9.51 C +ANISOU 1046 CA THR A 62 1556 1161 897 79 61 23 C +ATOM 1047 C THR A 62 -13.236 -10.706 5.708 1.00 8.80 C +ANISOU 1047 C THR A 62 1393 1054 896 94 56 -8 C +ATOM 1048 O THR A 62 -13.222 -9.474 5.623 1.00 9.65 O +ANISOU 1048 O THR A 62 1834 1079 755 159 190 -22 O +ATOM 1049 CB THR A 62 -14.702 -11.214 7.674 1.00 11.04 C +ANISOU 1049 CB THR A 62 1452 1451 1292 -113 37 4 C +ATOM 1050 OG1 THR A 62 -14.733 -11.873 8.946 1.00 12.75 O +ANISOU 1050 OG1 THR A 62 1771 1984 1090 -123 203 355 O +ATOM 1051 CG2 THR A 62 -15.759 -11.804 6.747 1.00 12.28 C +ANISOU 1051 CG2 THR A 62 1758 1270 1637 43 215 -148 C +ATOM 1052 H THR A 62 -12.587 -10.103 8.384 1.00 11.87 H +ATOM 1053 HA THR A 62 -13.150 -12.331 6.967 1.00 11.41 H +ATOM 1054 HB THR A 62 -14.908 -10.273 7.794 1.00 13.25 H +ATOM 1055 HG1 THR A 62 -15.485 -11.768 9.305 1.00 15.30 H +ATOM 1056 HG21 THR A 62 -16.621 -11.814 7.191 1.00 14.73 H +ATOM 1057 HG22 THR A 62 -15.827 -11.271 5.939 1.00 14.73 H +ATOM 1058 HG23 THR A 62 -15.519 -12.712 6.505 1.00 14.73 H +ATOM 1059 N VAL A 63 -13.164 -11.510 4.650 1.00 9.27 N +ANISOU 1059 N VAL A 63 1538 1007 976 178 -2 34 N +ATOM 1060 CA VAL A 63 -13.029 -10.997 3.289 1.00 10.31 C +ANISOU 1060 CA VAL A 63 1620 1370 926 267 32 -44 C +ATOM 1061 C VAL A 63 -14.076 -11.680 2.422 1.00 9.94 C +ANISOU 1061 C VAL A 63 1662 1152 962 231 240 11 C +ATOM 1062 O VAL A 63 -14.005 -12.897 2.196 1.00 11.58 O +ANISOU 1062 O VAL A 63 2145 1157 1100 295 -126 -211 O +ATOM 1063 CB VAL A 63 -11.622 -11.201 2.720 1.00 11.85 C +ANISOU 1063 CB VAL A 63 1610 2117 775 436 107 -39 C +ATOM 1064 CG1 VAL A 63 -11.537 -10.568 1.343 1.00 13.58 C +ANISOU 1064 CG1 VAL A 63 1674 2347 1137 365 336 -72 C +ATOM 1065 CG2 VAL A 63 -10.576 -10.613 3.649 1.00 13.64 C +ANISOU 1065 CG2 VAL A 63 1642 2332 1207 525 96 39 C +ATOM 1066 H VAL A 63 -13.192 -12.368 4.699 1.00 11.12 H +ATOM 1067 HA VAL A 63 -13.220 -10.046 3.293 1.00 12.37 H +ATOM 1068 HB VAL A 63 -11.441 -12.150 2.641 1.00 14.22 H +ATOM 1069 HG11 VAL A 63 -10.616 -10.592 1.040 1.00 16.29 H +ATOM 1070 HG12 VAL A 63 -12.100 -11.067 0.731 1.00 16.29 H +ATOM 1071 HG13 VAL A 63 -11.843 -9.649 1.398 1.00 16.29 H +ATOM 1072 HG21 VAL A 63 -9.700 -10.727 3.249 1.00 16.36 H +ATOM 1073 HG22 VAL A 63 -10.762 -9.670 3.777 1.00 16.36 H +ATOM 1074 HG23 VAL A 63 -10.614 -11.076 4.500 1.00 16.36 H +ATOM 1075 N AASP A 64 -15.046 -10.898 1.956 0.69 9.44 N +ANISOU 1075 N AASP A 64 1606 1148 833 6 219 72 N +ATOM 1076 N BASP A 64 -15.042 -10.897 1.941 0.31 10.12 N +ANISOU 1076 N BASP A 64 1658 1195 993 98 232 57 N +ATOM 1077 CA AASP A 64 -16.162 -11.398 1.161 0.69 9.53 C +ANISOU 1077 CA AASP A 64 1416 1165 1040 49 66 35 C +ATOM 1078 CA BASP A 64 -16.183 -11.388 1.168 0.31 11.10 C +ANISOU 1078 CA BASP A 64 1749 1268 1201 44 191 54 C +ATOM 1079 C AASP A 64 -15.976 -10.869 -0.254 0.69 10.52 C +ANISOU 1079 C AASP A 64 2045 1033 919 23 115 -25 C +ATOM 1080 C BASP A 64 -16.010 -10.875 -0.258 0.31 10.97 C +ANISOU 1080 C BASP A 64 1993 1185 992 24 163 53 C +ATOM 1081 O AASP A 64 -16.231 -9.692 -0.528 0.69 12.66 O +ANISOU 1081 O AASP A 64 2855 920 1034 137 19 91 O +ATOM 1082 O BASP A 64 -16.308 -9.713 -0.548 0.31 11.98 O +ANISOU 1082 O BASP A 64 2352 1145 1057 65 270 130 O +ATOM 1083 CB AASP A 64 -17.502 -10.944 1.727 0.69 12.65 C +ANISOU 1083 CB AASP A 64 1790 1558 1459 132 339 140 C +ATOM 1084 CB BASP A 64 -17.484 -10.877 1.786 0.31 13.68 C +ANISOU 1084 CB BASP A 64 1977 1519 1701 -12 503 133 C +ATOM 1085 CG AASP A 64 -17.842 -11.617 3.033 0.69 15.56 C +ANISOU 1085 CG AASP A 64 2079 1999 1836 64 646 74 C +ATOM 1086 CG BASP A 64 -18.730 -11.456 1.125 0.31 16.05 C +ANISOU 1086 CG BASP A 64 2102 1820 2176 -145 815 346 C +ATOM 1087 OD1AASP A 64 -17.460 -12.790 3.230 0.69 17.24 O +ANISOU 1087 OD1AASP A 64 2232 2269 2050 279 915 147 O +ATOM 1088 OD1BASP A 64 -18.643 -11.949 -0.019 0.31 17.46 O +ANISOU 1088 OD1BASP A 64 2291 1922 2422 -426 463 618 O +ATOM 1089 OD2AASP A 64 -18.499 -10.969 3.865 0.69 19.90 O +ANISOU 1089 OD2AASP A 64 3324 2131 2108 -221 1035 67 O +ATOM 1090 OD2BASP A 64 -19.809 -11.406 1.759 0.31 18.73 O +ANISOU 1090 OD2BASP A 64 2593 2042 2480 243 995 278 O +ATOM 1091 H AASP A 64 -15.078 -10.050 2.093 0.69 11.33 H +ATOM 1092 H BASP A 64 -15.057 -10.045 2.057 0.31 12.15 H +ATOM 1093 HA AASP A 64 -16.143 -12.368 1.160 0.69 11.43 H +ATOM 1094 HA BASP A 64 -16.197 -12.358 1.155 0.31 13.32 H +ATOM 1095 HB2AASP A 64 -17.471 -9.987 1.881 0.69 15.19 H +ATOM 1096 HB2BASP A 64 -17.504 -11.122 2.724 0.31 16.41 H +ATOM 1097 HB3AASP A 64 -18.202 -11.155 1.089 0.69 15.19 H +ATOM 1098 HB3BASP A 64 -17.519 -9.913 1.694 0.31 16.41 H +ATOM 1099 N ILE A 65 -15.534 -11.745 -1.147 1.00 10.07 N +ANISOU 1099 N ILE A 65 1891 1202 733 6 168 90 N +ATOM 1100 CA ILE A 65 -15.314 -11.410 -2.547 1.00 11.02 C +ANISOU 1100 CA ILE A 65 2040 1357 793 -140 52 124 C +ATOM 1101 C ILE A 65 -16.369 -12.137 -3.367 1.00 11.04 C +ANISOU 1101 C ILE A 65 2073 1236 887 -169 132 -18 C +ATOM 1102 O ILE A 65 -16.500 -13.357 -3.266 1.00 12.81 O +ANISOU 1102 O ILE A 65 2448 1115 1305 -303 173 -77 O +ATOM 1103 CB ILE A 65 -13.930 -11.870 -3.033 1.00 15.14 C +ANISOU 1103 CB ILE A 65 2479 2411 861 -120 334 503 C +ATOM 1104 CG1 ILE A 65 -12.779 -11.417 -2.141 1.00 20.34 C +ANISOU 1104 CG1 ILE A 65 3099 3214 1416 -565 -332 378 C +ATOM 1105 CG2 ILE A 65 -13.716 -11.405 -4.463 1.00 16.16 C +ANISOU 1105 CG2 ILE A 65 2245 2764 1133 -47 341 432 C +ATOM 1106 CD1 ILE A 65 -12.529 -9.989 -2.113 1.00 22.35 C +ANISOU 1106 CD1 ILE A 65 3445 3430 1615 -469 -417 172 C +ATOM 1107 H ILE A 65 -15.350 -12.564 -0.957 1.00 12.08 H +ATOM 1108 HA ILE A 65 -15.396 -10.449 -2.651 1.00 13.23 H +ATOM 1109 HB ILE A 65 -13.926 -12.838 -2.987 1.00 18.16 H +ATOM 1110 HG12 ILE A 65 -12.973 -11.693 -1.231 1.00 24.41 H +ATOM 1111 HG13 ILE A 65 -11.966 -11.846 -2.451 1.00 24.41 H +ATOM 1112 HG21 ILE A 65 -12.788 -11.549 -4.706 1.00 19.40 H +ATOM 1113 HG22 ILE A 65 -14.295 -11.916 -5.050 1.00 19.40 H +ATOM 1114 HG23 ILE A 65 -13.932 -10.461 -4.524 1.00 19.40 H +ATOM 1115 HD11 ILE A 65 -11.823 -9.805 -1.474 1.00 26.82 H +ATOM 1116 HD12 ILE A 65 -12.258 -9.699 -2.998 1.00 26.82 H +ATOM 1117 HD13 ILE A 65 -13.342 -9.531 -1.849 1.00 26.82 H +ATOM 1118 N LYS A 66 -17.085 -11.400 -4.207 1.00 11.22 N +ANISOU 1118 N LYS A 66 2136 1218 908 -66 -10 -118 N +ATOM 1119 CA LYS A 66 -18.077 -11.972 -5.106 1.00 13.55 C +ANISOU 1119 CA LYS A 66 2167 1824 1158 -74 91 76 C +ATOM 1120 C LYS A 66 -17.771 -11.490 -6.511 1.00 13.35 C +ANISOU 1120 C LYS A 66 2388 1519 1164 -16 -251 3 C +ATOM 1121 O LYS A 66 -17.731 -10.283 -6.760 1.00 15.52 O +ANISOU 1121 O LYS A 66 3465 1426 1007 62 -215 -80 O +ATOM 1122 CB LYS A 66 -19.488 -11.540 -4.704 1.00 20.57 C +ANISOU 1122 CB LYS A 66 2888 2840 2089 150 62 221 C +ATOM 1123 CG LYS A 66 -19.944 -12.066 -3.361 1.00 26.10 C +ANISOU 1123 CG LYS A 66 3612 3384 2922 108 480 292 C +ATOM 1124 CD LYS A 66 -20.308 -13.533 -3.450 1.00 28.78 C +ANISOU 1124 CD LYS A 66 4225 3515 3193 340 399 441 C +ATOM 1125 H LYS A 66 -17.011 -10.546 -4.274 1.00 13.46 H +ATOM 1126 HA LYS A 66 -18.025 -12.941 -5.082 1.00 16.26 H +ATOM 1127 HB2 LYS A 66 -19.515 -10.571 -4.664 1.00 24.69 H +ATOM 1128 HB3 LYS A 66 -20.113 -11.862 -5.373 1.00 24.69 H +ATOM 1129 HG2 LYS A 66 -19.229 -11.966 -2.714 1.00 31.33 H +ATOM 1130 HG3 LYS A 66 -20.727 -11.573 -3.069 1.00 31.33 H +ATOM 1131 N ILE A 67 -17.565 -12.423 -7.430 1.00 14.70 N +ANISOU 1131 N ILE A 67 2628 1350 1606 89 -190 -10 N +ATOM 1132 CA ILE A 67 -17.355 -12.096 -8.833 1.00 15.60 C +ANISOU 1132 CA ILE A 67 3250 1431 1245 15 -162 -1 C +ATOM 1133 C ILE A 67 -18.538 -12.681 -9.594 1.00 19.33 C +ANISOU 1133 C ILE A 67 3593 1790 1962 -559 -482 -125 C +ATOM 1134 O ILE A 67 -18.639 -13.904 -9.761 1.00 21.92 O +ANISOU 1134 O ILE A 67 4318 1715 2294 -691 -847 16 O +ATOM 1135 CB ILE A 67 -16.014 -12.629 -9.349 1.00 16.62 C +ANISOU 1135 CB ILE A 67 3444 1636 1236 398 271 -51 C +ATOM 1136 CG1 ILE A 67 -14.875 -12.122 -8.447 1.00 16.68 C +ANISOU 1136 CG1 ILE A 67 2928 1826 1582 519 685 161 C +ATOM 1137 CG2 ILE A 67 -15.796 -12.227 -10.799 1.00 18.47 C +ANISOU 1137 CG2 ILE A 67 4027 1739 1251 542 124 -158 C +ATOM 1138 CD1 ILE A 67 -13.493 -12.559 -8.907 1.00 19.32 C +ANISOU 1138 CD1 ILE A 67 3125 1893 2322 488 1074 365 C +ATOM 1139 H ILE A 67 -17.541 -13.265 -7.259 1.00 17.64 H +ATOM 1140 HA ILE A 67 -17.357 -11.135 -8.963 1.00 18.72 H +ATOM 1141 HB ILE A 67 -16.024 -13.598 -9.314 1.00 19.95 H +ATOM 1142 HG12 ILE A 67 -14.892 -11.152 -8.438 1.00 20.01 H +ATOM 1143 HG13 ILE A 67 -15.011 -12.465 -7.550 1.00 20.01 H +ATOM 1144 HG21 ILE A 67 -14.934 -12.560 -11.093 1.00 22.17 H +ATOM 1145 HG22 ILE A 67 -16.502 -12.611 -11.342 1.00 22.17 H +ATOM 1146 HG23 ILE A 67 -15.817 -11.259 -10.865 1.00 22.17 H +ATOM 1147 HD11 ILE A 67 -12.851 -12.365 -8.206 1.00 23.19 H +ATOM 1148 HD12 ILE A 67 -13.507 -13.512 -9.088 1.00 23.19 H +ATOM 1149 HD13 ILE A 67 -13.260 -12.073 -9.713 1.00 23.19 H +ATOM 1150 N GLU A 68 -19.448 -11.812 -10.016 1.00 21.29 N +ANISOU 1150 N GLU A 68 3102 2483 2504 -738 -749 -23 N +ATOM 1151 CA GLU A 68 -20.724 -12.228 -10.578 1.00 26.16 C +ANISOU 1151 CA GLU A 68 3393 3296 3251 -661 -486 26 C +ATOM 1152 C GLU A 68 -20.658 -12.365 -12.090 1.00 31.18 C +ANISOU 1152 C GLU A 68 3811 3971 4065 -626 -281 148 C +ATOM 1153 O GLU A 68 -21.628 -12.801 -12.712 1.00 32.98 O +ANISOU 1153 O GLU A 68 3730 4434 4367 -616 -106 186 O +ATOM 1154 CB GLU A 68 -21.810 -11.216 -10.201 1.00 29.58 C +ANISOU 1154 CB GLU A 68 3770 3714 3754 -61 -22 10 C +ATOM 1155 OXT GLU A 68 -19.649 -12.044 -12.721 1.00 30.19 O +ANISOU 1155 OXT GLU A 68 3796 3847 3828 -65 -19 30 O +ATOM 1156 H GLU A 68 -19.348 -10.959 -9.986 1.00 25.55 H +ATOM 1157 HA GLU A 68 -20.957 -13.097 -10.216 1.00 31.40 H +TER 1158 GLU A 68 +HETATM 1159 O HOH A 101 -1.918 2.786 -10.274 1.00 24.41 O +HETATM 1160 O HOH A 102 0.474 -10.308 -13.281 1.00 40.11 O +HETATM 1161 O HOH A 103 -2.184 -1.278 10.056 1.00 32.39 O +HETATM 1162 O HOH A 104 -7.622 -19.241 -5.379 1.00 27.59 O +HETATM 1163 O HOH A 105 -8.321 2.513 12.363 1.00 18.05 O +HETATM 1164 O HOH A 106 -2.935 -5.290 -0.308 1.00 23.57 O +HETATM 1165 O HOH A 107 -19.387 -4.813 -11.461 1.00 18.73 O +HETATM 1166 O HOH A 108 -14.121 2.756 -5.330 1.00 38.31 O +HETATM 1167 O HOH A 109 -7.782 3.866 1.638 1.00 15.63 O +HETATM 1168 O HOH A 110 -3.637 -5.881 10.985 1.00 36.95 O +HETATM 1169 O HOH A 111 -6.853 -6.683 -16.153 1.00 22.58 O +HETATM 1170 O HOH A 112 -17.011 -15.803 -4.075 1.00 16.72 O +HETATM 1171 O HOH A 113 -17.079 -12.413 10.020 1.00 25.62 O +HETATM 1172 O HOH A 114 -10.762 -14.534 8.929 1.00 25.10 O +HETATM 1173 O HOH A 115 -0.999 6.407 -9.212 1.00 37.68 O +HETATM 1174 O HOH A 116 -19.495 -6.521 8.812 1.00 27.93 O +HETATM 1175 O HOH A 117 -0.347 -14.755 -16.450 1.00 32.31 O +HETATM 1176 O HOH A 118 -7.310 -3.778 11.743 1.00 15.68 O +HETATM 1177 O HOH A 119 -11.375 6.131 -7.272 1.00 16.81 O +HETATM 1178 O HOH A 120 -10.028 -3.615 10.748 1.00 13.92 O +HETATM 1179 O HOH A 121 -17.744 -7.464 10.754 1.00 25.57 O +HETATM 1180 O HOH A 122 -15.374 -0.099 9.449 1.00 26.07 O +HETATM 1181 O HOH A 123 0.815 0.233 0.764 1.00 23.39 O +HETATM 1182 O HOH A 124 -7.238 -18.094 3.043 1.00 16.50 O +HETATM 1183 O HOH A 125 -12.931 -13.237 10.462 1.00 10.76 O +HETATM 1184 O HOH A 126 -5.127 -17.253 4.437 1.00 15.45 O +HETATM 1185 O HOH A 127 -19.740 -12.039 6.065 1.00 24.96 O +HETATM 1186 O HOH A 128 -11.897 1.655 -8.276 1.00 26.03 O +HETATM 1187 O HOH A 129 -1.728 -1.254 -17.296 1.00 13.79 O +HETATM 1188 O HOH A 130 -12.067 1.866 6.865 1.00 18.51 O +HETATM 1189 O HOH A 131 -18.475 1.294 7.202 1.00 25.72 O +HETATM 1190 O HOH A 132 -1.335 -2.108 -5.822 1.00 20.59 O +HETATM 1191 O HOH A 133 -13.220 -14.376 4.968 1.00 11.08 O +HETATM 1192 O HOH A 134 -7.386 3.871 -15.095 1.00 15.14 O +HETATM 1193 O HOH A 135 -9.526 -19.365 -6.111 1.00 31.23 O +HETATM 1194 O HOH A 136 0.332 -6.178 -11.846 1.00 24.78 O +HETATM 1195 O HOH A 137 -14.647 -14.381 -0.061 1.00 10.45 O +HETATM 1196 O HOH A 138 -15.956 -14.724 4.542 1.00 16.26 O +HETATM 1197 O HOH A 139 -9.137 2.635 -8.864 1.00 12.99 O +HETATM 1198 O HOH A 140 -5.024 4.562 -6.713 1.00 23.07 O +HETATM 1199 O HOH A 141 -10.003 2.328 -11.513 1.00 15.93 O +HETATM 1200 O HOH A 142 -4.988 4.105 -4.168 1.00 19.27 O +HETATM 1201 O HOH A 143 -13.653 -6.366 -13.855 1.00 13.74 O +HETATM 1202 O HOH A 144 -0.788 -11.993 5.821 1.00 21.60 O +HETATM 1203 O HOH A 145 -11.829 -14.400 -16.598 1.00 21.66 O +HETATM 1204 O HOH A 146 -13.486 -1.771 9.807 1.00 15.21 O +HETATM 1205 O HOH A 147 -14.597 1.133 1.051 1.00 15.83 O +HETATM 1206 O HOH A 148 -13.270 0.252 -6.468 1.00 28.22 O +HETATM 1207 O HOH A 149 -8.124 -16.526 -1.588 1.00 11.12 O +HETATM 1208 O HOH A 150 -4.862 3.095 13.936 1.00 29.53 O +HETATM 1209 O HOH A 151 -23.797 -14.005 -11.347 1.00 32.83 O +HETATM 1210 O HOH A 152 -21.231 -5.101 10.827 1.00 26.28 O +HETATM 1211 O HOH A 153 -2.661 -9.973 -10.984 1.00 16.99 O +HETATM 1212 O HOH A 154 -8.709 4.069 -0.909 1.00 19.54 O +HETATM 1213 O HOH A 155 -3.823 3.258 6.214 1.00 19.00 O +HETATM 1214 O HOH A 156 -16.471 1.136 -4.294 1.00 21.74 O +HETATM 1215 O HOH A 157 -3.092 -9.024 -4.149 1.00 15.56 O +HETATM 1216 O HOH A 158 -6.502 6.555 6.781 1.00 17.09 O +HETATM 1217 O HOH A 159 -22.765 -1.959 10.155 1.00 43.91 O +HETATM 1218 O HOH A 160 -1.483 -13.936 -0.453 1.00 26.77 O +HETATM 1219 O HOH A 161 -5.061 -4.618 -2.086 1.00 27.05 O +HETATM 1220 O HOH A 162 -19.150 -9.731 -1.779 1.00 28.23 O +HETATM 1221 O HOH A 163 -16.133 1.342 -9.256 1.00 22.05 O +HETATM 1222 O HOH A 164 0.879 -3.589 -15.219 1.00 29.78 O +HETATM 1223 O HOH A 165 -1.593 1.462 0.429 1.00 26.82 O +HETATM 1224 O HOH A 166 -15.791 -7.227 13.929 1.00 12.03 O +HETATM 1225 O HOH A 167 -13.152 -0.468 -10.146 1.00 14.54 O +HETATM 1226 O HOH A 168 -0.647 -5.133 -3.434 1.00 36.78 O +HETATM 1227 O HOH A 169 -17.754 -15.792 -2.249 1.00 31.80 O +HETATM 1228 O HOH A 170 -25.485 -10.384 -8.576 1.00 20.36 O +HETATM 1229 O HOH A 171 -18.071 0.078 10.589 1.00 34.29 O +HETATM 1230 O HOH A 172 -17.710 0.980 3.188 1.00 21.86 O +HETATM 1231 O HOH A 173 -5.466 8.081 -8.022 1.00 25.56 O +HETATM 1232 O HOH A 174 -15.652 -13.396 -14.616 1.00 20.00 O +HETATM 1233 O HOH A 175 2.844 -2.658 3.943 1.00 25.36 O +HETATM 1234 O HOH A 176 -17.163 -0.477 -15.918 1.00 25.02 O +HETATM 1235 O HOH A 177 -18.947 -4.221 -2.144 1.00 28.49 O +HETATM 1236 O HOH A 178 -17.281 -10.571 10.042 1.00 17.93 O +HETATM 1237 O HOH A 179 -8.763 -18.965 -3.379 1.00 27.15 O +HETATM 1238 O HOH A 180 -19.602 -16.464 -8.236 1.00 39.11 O +HETATM 1239 O HOH A 181 -25.077 -9.723 -5.976 1.00 23.68 O +HETATM 1240 O HOH A 182 -3.912 4.614 -15.047 1.00 35.07 O +HETATM 1241 O HOH A 183 -1.269 -8.779 -12.784 1.00 26.61 O +HETATM 1242 O HOH A 184 -15.514 -6.960 -16.431 1.00 26.34 O +HETATM 1243 O HOH A 185 -24.558 1.591 -2.531 1.00 34.01 O +HETATM 1244 O HOH A 186 -1.902 -20.221 -2.652 1.00 32.10 O +HETATM 1245 O HOH A 187 -21.710 -3.710 -6.768 1.00 33.57 O +HETATM 1246 O HOH A 188 -18.062 3.766 -6.880 1.00 22.22 O +HETATM 1247 O HOH A 189 -14.201 4.495 15.698 1.00 25.36 O +HETATM 1248 O HOH A 190 -16.930 3.523 -0.231 1.00 21.33 O +HETATM 1249 O HOH A 191 -20.093 -15.745 -13.364 1.00 35.35 O +HETATM 1250 O HOH A 192 -4.635 4.290 3.650 1.00 27.54 O +HETATM 1251 O HOH A 193 -20.034 -0.145 4.274 1.00 27.74 O +HETATM 1252 O HOH A 194 -23.658 -0.427 -4.568 1.00 28.79 O +HETATM 1253 O HOH A 195 -8.346 -18.270 7.605 1.00 35.44 O +HETATM 1254 O HOH A 196 -0.703 -14.764 2.113 1.00 30.13 O +HETATM 1255 O HOH A 197 -18.709 3.445 -10.233 1.00 44.07 O +HETATM 1256 O HOH A 198 -20.556 -3.698 -13.943 1.00 41.60 O +HETATM 1257 O HOH A 199 -2.531 -6.895 -2.522 1.00 25.93 O +HETATM 1258 O HOH A 200 -1.874 4.112 -12.938 1.00 27.34 O +HETATM 1259 O HOH A 201 -10.040 -15.370 -17.935 1.00 23.79 O +HETATM 1260 O HOH A 202 -24.142 -4.238 -5.353 1.00 27.67 O +HETATM 1261 O HOH A 203 -16.992 -16.649 2.738 1.00 15.85 O +HETATM 1262 O HOH A 204 -9.104 5.295 -8.555 1.00 16.87 O +HETATM 1263 O HOH A 205 -22.888 -0.351 -9.022 1.00 39.79 O +HETATM 1264 O HOH A 206 -0.359 9.134 -8.198 1.00 32.17 O +HETATM 1265 O HOH A 207 -3.720 -1.121 12.395 1.00 25.04 O +HETATM 1266 O HOH A 208 -0.339 -2.387 -8.415 1.00 31.33 O +HETATM 1267 O HOH A 209 -1.313 2.404 7.103 1.00 42.29 O +HETATM 1268 O HOH A 210 -23.096 -9.924 5.047 1.00 37.03 O +HETATM 1269 O HOH A 211 -1.277 -15.024 -8.080 1.00 33.97 O +HETATM 1270 O HOH A 212 -23.236 -11.328 -4.797 1.00 40.44 O +HETATM 1271 O HOH A 213 -23.336 -13.031 4.005 1.00 29.62 O +HETATM 1272 O HOH A 214 0.103 -12.707 -8.580 1.00 26.94 O +HETATM 1273 O HOH A 215 -7.105 6.265 -7.046 1.00 20.83 O +HETATM 1274 O HOH A 216 -0.414 -18.538 -4.861 1.00 48.66 O +MASTER 245 0 0 2 3 0 0 6 667 1 0 6 +END