USER MOD reduce.3.24.130724 H: found=0, std=0, add=2301, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 2253 hydrogens (0 hets) HEADER LYASE 04-OCT-12 4HF3 TITLE ACTIVITY ENHANCERS OF H64A VARIANT OF HUMAN CARBONIC ANHYDRASE II TITLE 2 POSSESS MULTIPLE BINDING SITES WITHIN AND AROUND THE ENZYME STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CARBONATE DEHYDRATASE II, CARBONIC ANHYDRASE C, CAC, COMPND 5 CARBONIC ANHYDRASE II, CA-II; COMPND 6 EC: 4.2.1.1; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CA2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HYDRATION/DEHYDRATION, HIS64ALA, LYASE EXPDTA X-RAY DIFFRACTION AUTHOR M.AGGARWAL,R.MCKENNA REVDAT 3 20-AUG-14 4HF3 1 JRNL REVDAT 2 12-MAR-14 4HF3 1 JRNL REVDAT 1 23-OCT-13 4HF3 0 JRNL AUTH M.AGGARWAL,B.KONDETI,C.TU,C.M.MAUPIN,D.N.SILVERMAN,R.MCKENNA JRNL TITL STRUCTURAL INSIGHT INTO ACTIVITY ENHANCEMENT AND INHIBITION JRNL TITL 2 OF H64A CARBONIC ANHYDRASE II BY IMIDAZOLES. JRNL REF IUCRJ V. 1 129 2014 JRNL REFN ESSN 2052-2525 JRNL PMID 25075329 JRNL DOI 10.1107/S2052252514004096 REMARK 2 REMARK 2 RESOLUTION. 1.15 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.7_650) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.15 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.88 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 94.0 REMARK 3 NUMBER OF REFLECTIONS : 81455 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.159 REMARK 3 R VALUE (WORKING SET) : 0.158 REMARK 3 FREE R VALUE : 0.172 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.380 REMARK 3 FREE R VALUE TEST SET COUNT : 1938 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 19.8830 - 2.7636 0.97 6003 147 0.1689 0.1768 REMARK 3 2 2.7636 - 2.1944 1.00 6053 145 0.1514 0.1656 REMARK 3 3 2.1944 - 1.9173 1.00 6059 148 0.1428 0.1623 REMARK 3 4 1.9173 - 1.7421 0.99 5979 136 0.1387 0.1523 REMARK 3 5 1.7421 - 1.6173 0.98 5936 142 0.1387 0.1570 REMARK 3 6 1.6173 - 1.5220 0.97 5813 147 0.1412 0.1420 REMARK 3 7 1.5220 - 1.4458 0.96 5795 139 0.1458 0.1630 REMARK 3 8 1.4458 - 1.3829 0.95 5687 141 0.1534 0.1637 REMARK 3 9 1.3829 - 1.3296 0.93 5589 135 0.1630 0.1714 REMARK 3 10 1.3296 - 1.2838 0.93 5563 135 0.1649 0.1635 REMARK 3 11 1.2838 - 1.2436 0.90 5448 128 0.1794 0.1950 REMARK 3 12 1.2436 - 1.2081 0.89 5314 135 0.1957 0.2142 REMARK 3 13 1.2081 - 1.1763 0.88 5269 124 0.2064 0.2592 REMARK 3 14 1.1763 - 1.1476 0.84 5009 136 0.2189 0.2398 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 0.20 REMARK 3 SHRINKAGE RADIUS : 0.00 REMARK 3 K_SOL : 0.57 REMARK 3 B_SOL : 58.89 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.110 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 15.290 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) : -0.52590 REMARK 3 B22 (A**2) : -0.83900 REMARK 3 B33 (A**2) : 1.36490 REMARK 3 B12 (A**2) : -0.00000 REMARK 3 B13 (A**2) : 0.29710 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.011 2333 REMARK 3 ANGLE : 1.401 3194 REMARK 3 CHIRALITY : 0.090 335 REMARK 3 PLANARITY : 0.009 423 REMARK 3 DIHEDRAL : 13.177 902 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 9 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain 'A' and (resseq 4:24) REMARK 3 ORIGIN FOR THE GROUP (A): 8.5002 -2.8032 16.9899 REMARK 3 T TENSOR REMARK 3 T11: 0.0472 T22: 0.0931 REMARK 3 T33: 0.1027 T12: 0.0065 REMARK 3 T13: -0.0004 T23: -0.0033 REMARK 3 L TENSOR REMARK 3 L11: 1.1285 L22: 0.8680 REMARK 3 L33: 1.4605 L12: -0.3303 REMARK 3 L13: -0.2796 L23: 0.4394 REMARK 3 S TENSOR REMARK 3 S11: 0.0029 S12: 0.0137 S13: -0.0725 REMARK 3 S21: -0.0230 S22: 0.0226 S23: -0.2169 REMARK 3 S31: 0.0967 S32: 0.2174 S33: 0.0082 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: chain 'A' and (resseq 25:50) REMARK 3 ORIGIN FOR THE GROUP (A): -13.5976 -2.1174 30.8526 REMARK 3 T TENSOR REMARK 3 T11: 0.0767 T22: 0.1054 REMARK 3 T33: 0.0618 T12: 0.0183 REMARK 3 T13: 0.0025 T23: 0.0099 REMARK 3 L TENSOR REMARK 3 L11: 0.1216 L22: 0.4848 REMARK 3 L33: 1.2697 L12: -0.1804 REMARK 3 L13: 0.3501 L23: -0.3378 REMARK 3 S TENSOR REMARK 3 S11: -0.1534 S12: -0.2009 S13: 0.0155 REMARK 3 S21: 0.1353 S22: 0.1679 S23: 0.0619 REMARK 3 S31: 0.0202 S32: -0.1624 S33: -0.0475 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: chain 'A' and (resseq 51:115) REMARK 3 ORIGIN FOR THE GROUP (A): -12.8347 0.4752 13.7839 REMARK 3 T TENSOR REMARK 3 T11: 0.0481 T22: 0.0470 REMARK 3 T33: 0.0490 T12: -0.0068 REMARK 3 T13: -0.0107 T23: 0.0028 REMARK 3 L TENSOR REMARK 3 L11: 0.5274 L22: 0.4208 REMARK 3 L33: 0.4775 L12: -0.0186 REMARK 3 L13: 0.0185 L23: 0.1300 REMARK 3 S TENSOR REMARK 3 S11: -0.0058 S12: 0.0443 S13: 0.0338 REMARK 3 S21: -0.0099 S22: -0.0107 S23: 0.0251 REMARK 3 S31: -0.0176 S32: -0.0141 S33: -0.0010 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: chain 'A' and (resseq 116:154) REMARK 3 ORIGIN FOR THE GROUP (A): -11.2150 4.5583 18.1342 REMARK 3 T TENSOR REMARK 3 T11: 0.0568 T22: 0.0392 REMARK 3 T33: 0.0369 T12: -0.0044 REMARK 3 T13: -0.0049 T23: -0.0018 REMARK 3 L TENSOR REMARK 3 L11: 0.5357 L22: 0.3647 REMARK 3 L33: 0.3662 L12: 0.1216 REMARK 3 L13: 0.2627 L23: 0.2645 REMARK 3 S TENSOR REMARK 3 S11: -0.0011 S12: -0.0223 S13: 0.0405 REMARK 3 S21: -0.0284 S22: -0.0158 S23: 0.0401 REMARK 3 S31: -0.0182 S32: -0.0044 S33: 0.0124 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: chain 'A' and (resseq 155:167) REMARK 3 ORIGIN FOR THE GROUP (A): -15.6707 -6.6651 -0.2375 REMARK 3 T TENSOR REMARK 3 T11: 0.0830 T22: 0.0872 REMARK 3 T33: 0.0681 T12: -0.0012 REMARK 3 T13: -0.0172 T23: -0.0132 REMARK 3 L TENSOR REMARK 3 L11: 2.9302 L22: 1.7724 REMARK 3 L33: 1.1861 L12: 1.8771 REMARK 3 L13: -1.0734 L23: -1.3495 REMARK 3 S TENSOR REMARK 3 S11: -0.0909 S12: 0.1898 S13: -0.0198 REMARK 3 S21: -0.2316 S22: 0.0940 S23: 0.1164 REMARK 3 S31: 0.1294 S32: -0.0548 S33: 0.0655 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: chain 'A' and (resseq 168:190) REMARK 3 ORIGIN FOR THE GROUP (A): -17.0361 -0.9211 6.6481 REMARK 3 T TENSOR REMARK 3 T11: 0.0670 T22: 0.0703 REMARK 3 T33: 0.0593 T12: -0.0085 REMARK 3 T13: -0.0178 T23: -0.0006 REMARK 3 L TENSOR REMARK 3 L11: 0.9976 L22: 0.2961 REMARK 3 L33: 1.0189 L12: 0.0095 REMARK 3 L13: -0.2777 L23: -0.0920 REMARK 3 S TENSOR REMARK 3 S11: 0.0630 S12: 0.0459 S13: -0.0001 REMARK 3 S21: -0.0408 S22: -0.0031 S23: 0.0179 REMARK 3 S31: -0.0470 S32: 0.0168 S33: -0.0441 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: chain 'A' and (resseq 191:219) REMARK 3 ORIGIN FOR THE GROUP (A): -10.9460 -2.5139 21.9203 REMARK 3 T TENSOR REMARK 3 T11: 0.0387 T22: 0.0369 REMARK 3 T33: 0.0323 T12: -0.0017 REMARK 3 T13: -0.0105 T23: 0.0040 REMARK 3 L TENSOR REMARK 3 L11: 0.4521 L22: 0.4055 REMARK 3 L33: 0.5403 L12: -0.0524 REMARK 3 L13: 0.2005 L23: 0.2144 REMARK 3 S TENSOR REMARK 3 S11: 0.0123 S12: -0.0513 S13: -0.0150 REMARK 3 S21: 0.0098 S22: -0.0041 S23: -0.0178 REMARK 3 S31: 0.0257 S32: -0.0240 S33: -0.0049 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: chain 'A' and (resseq 220:238) REMARK 3 ORIGIN FOR THE GROUP (A): -4.9553 -11.0266 1.0764 REMARK 3 T TENSOR REMARK 3 T11: 0.0723 T22: 0.1701 REMARK 3 T33: 0.0609 T12: 0.0269 REMARK 3 T13: 0.0037 T23: -0.0453 REMARK 3 L TENSOR REMARK 3 L11: 1.1012 L22: 0.6094 REMARK 3 L33: 1.0495 L12: -0.5064 REMARK 3 L13: -0.4179 L23: -0.3548 REMARK 3 S TENSOR REMARK 3 S11: 0.0704 S12: 0.2449 S13: -0.2085 REMARK 3 S21: -0.1461 S22: 0.0270 S23: 0.0019 REMARK 3 S31: 0.2250 S32: 0.2468 S33: 0.1977 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: chain 'A' and (resseq 239:261) REMARK 3 ORIGIN FOR THE GROUP (A): -5.2665 -6.2059 24.1457 REMARK 3 T TENSOR REMARK 3 T11: 0.0651 T22: 0.0572 REMARK 3 T33: 0.0533 T12: -0.0036 REMARK 3 T13: -0.0080 T23: 0.0050 REMARK 3 L TENSOR REMARK 3 L11: 0.6212 L22: 0.4034 REMARK 3 L33: 0.6853 L12: -0.1453 REMARK 3 L13: 0.2987 L23: 0.1359 REMARK 3 S TENSOR REMARK 3 S11: 0.0036 S12: -0.0799 S13: -0.0263 REMARK 3 S21: 0.0687 S22: 0.0346 S23: -0.0419 REMARK 3 S31: 0.0628 S32: 0.0561 S33: -0.0541 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 4HF3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-OCT-12. REMARK 100 THE RCSB ID CODE IS RCSB075386. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 31-OCT-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : CHESS REMARK 200 BEAMLINE : F1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9 REMARK 200 MONOCHROMATOR : HORIZONTAL BENT SI(111), REMARK 200 ASYMMETRICALLY CUT WITH WATER REMARK 200 COATED CU BLOCK REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 270 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL REMARK 200 DATA SCALING SOFTWARE : HKL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 85550 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.148 REMARK 200 RESOLUTION RANGE LOW (A) : 19.880 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.31 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: DROPS OF 10 UL (0.3 MM PROTEIN; 100 MM REMARK 280 SMALL IMIDAZOLE; 0.8 M SODIUM CITRATE; 50 MM TRIS-HCL; PH 8.0) REMARK 280 WERE EQUILIBRATED AGAINST THE PRECIPITANT SOLUTION (1.6 M SODIUM REMARK 280 CITRATE; 50 MM TRIS-HCL; PH 8.0), VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 298K 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 20.74200 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 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 SER A 2 REMARK 465 HIS A 3 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 27 54.94 -143.72 REMARK 500 ALA A 65 -169.75 -162.36 REMARK 500 LYS A 111 -2.48 72.65 REMARK 500 PHE A 176 53.77 -149.25 REMARK 500 ASN A 244 47.13 -94.42 REMARK 500 LYS A 252 -139.62 54.88 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 301 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 IMD A 302 N3 REMARK 620 2 HIS A 94 NE2 105.2 REMARK 620 3 HIS A 119 ND1 108.3 113.3 REMARK 620 4 HIS A 96 NE2 126.6 103.1 100.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 304 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 305 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 306 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 307 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 308 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 309 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 310 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4HEW RELATED DB: PDB REMARK 900 RELATED ID: 4HEY RELATED DB: PDB REMARK 900 RELATED ID: 4HEZ RELATED DB: PDB DBREF 4HF3 A 1 261 UNP P00918 CAH2_HUMAN 1 260 SEQADV 4HF3 ALA A 64 UNP P00918 HIS 64 ENGINEERED MUTATION SEQRES 1 A 260 MET SER HIS HIS TRP GLY TYR GLY LYS HIS ASN GLY PRO SEQRES 2 A 260 GLU HIS TRP HIS LYS ASP PHE PRO ILE ALA LYS GLY GLU SEQRES 3 A 260 ARG GLN SER PRO VAL ASP ILE ASP THR HIS THR ALA LYS SEQRES 4 A 260 TYR ASP PRO SER LEU LYS PRO LEU SER VAL SER TYR ASP SEQRES 5 A 260 GLN ALA THR SER LEU ARG ILE LEU ASN ASN GLY ALA ALA SEQRES 6 A 260 PHE ASN VAL GLU PHE ASP ASP SER GLN ASP LYS ALA VAL SEQRES 7 A 260 LEU LYS GLY GLY PRO LEU ASP GLY THR TYR ARG LEU ILE SEQRES 8 A 260 GLN PHE HIS PHE HIS TRP GLY SER LEU ASP GLY GLN GLY SEQRES 9 A 260 SER GLU HIS THR VAL ASP LYS LYS LYS TYR ALA ALA GLU SEQRES 10 A 260 LEU HIS LEU VAL HIS TRP ASN THR LYS TYR GLY ASP PHE SEQRES 11 A 260 GLY LYS ALA VAL GLN GLN PRO ASP GLY LEU ALA VAL LEU SEQRES 12 A 260 GLY ILE PHE LEU LYS VAL GLY SER ALA LYS PRO GLY LEU SEQRES 13 A 260 GLN LYS VAL VAL ASP VAL LEU ASP SER ILE LYS THR LYS SEQRES 14 A 260 GLY LYS SER ALA ASP PHE THR ASN PHE ASP PRO ARG GLY SEQRES 15 A 260 LEU LEU PRO GLU SER LEU ASP TYR TRP THR TYR PRO GLY SEQRES 16 A 260 SER LEU THR THR PRO PRO LEU LEU GLU CYS VAL THR TRP SEQRES 17 A 260 ILE VAL LEU LYS GLU PRO ILE SER VAL SER SER GLU GLN SEQRES 18 A 260 VAL LEU LYS PHE ARG LYS LEU ASN PHE ASN GLY GLU GLY SEQRES 19 A 260 GLU PRO GLU GLU LEU MET VAL ASP ASN TRP ARG PRO ALA SEQRES 20 A 260 GLN PRO LEU LYS ASN ARG GLN ILE LYS ALA SER PHE LYS HET ZN A 301 1 HET IMD A 302 5 HET IMD A 303 5 HET IMD A 304 5 HET IMD A 305 5 HET IMD A 306 5 HET IMD A 307 5 HET IMD A 308 5 HET IMD A 309 5 HET IMD A 310 5 HETNAM ZN ZINC ION HETNAM IMD IMIDAZOLE FORMUL 2 ZN ZN 2+ FORMUL 3 IMD 9(C3 H5 N2 1+) FORMUL 12 HOH *295(H2 O) HELIX 1 1 GLY A 12 GLU A 14 5 3 HELIX 2 2 HIS A 15 PHE A 20 1 6 HELIX 3 3 PRO A 21 GLY A 25 5 5 HELIX 4 4 LYS A 127 GLY A 129 5 3 HELIX 5 5 ASP A 130 VAL A 135 1 6 HELIX 6 6 LYS A 154 GLY A 156 5 3 HELIX 7 7 LEU A 157 LEU A 164 1 8 HELIX 8 8 ASP A 165 LYS A 168 5 4 HELIX 9 9 ASP A 180 LEU A 185 5 6 HELIX 10 10 SER A 219 ARG A 227 1 9 SHEET 1 A 2 ASP A 32 ILE A 33 0 SHEET 2 A 2 THR A 108 VAL A 109 1 O THR A 108 N ILE A 33 SHEET 1 B10 LYS A 39 TYR A 40 0 SHEET 2 B10 LYS A 257 ALA A 258 1 O ALA A 258 N LYS A 39 SHEET 3 B10 TYR A 191 GLY A 196 -1 N THR A 193 O LYS A 257 SHEET 4 B10 VAL A 207 LEU A 212 -1 O VAL A 207 N GLY A 196 SHEET 5 B10 LEU A 141 VAL A 150 1 N GLY A 145 O LEU A 212 SHEET 6 B10 ALA A 116 ASN A 124 -1 N LEU A 118 O ILE A 146 SHEET 7 B10 TYR A 88 TRP A 97 -1 N HIS A 94 O HIS A 119 SHEET 8 B10 PHE A 66 PHE A 70 -1 N VAL A 68 O PHE A 93 SHEET 9 B10 SER A 56 ASN A 61 -1 N LEU A 57 O GLU A 69 SHEET 10 B10 SER A 173 ASP A 175 -1 O ALA A 174 N ILE A 59 SHEET 1 C 6 LEU A 47 SER A 50 0 SHEET 2 C 6 VAL A 78 GLY A 81 -1 O VAL A 78 N SER A 50 SHEET 3 C 6 TYR A 88 TRP A 97 -1 O TYR A 88 N LEU A 79 SHEET 4 C 6 ALA A 116 ASN A 124 -1 O HIS A 119 N HIS A 94 SHEET 5 C 6 LEU A 141 VAL A 150 -1 O ILE A 146 N LEU A 118 SHEET 6 C 6 ILE A 216 VAL A 218 1 O ILE A 216 N PHE A 147 LINK ZN ZN A 301 N3 IMD A 302 1555 1555 1.99 LINK NE2 HIS A 94 ZN ZN A 301 1555 1555 2.01 LINK ND1 HIS A 119 ZN ZN A 301 1555 1555 2.03 LINK NE2 HIS A 96 ZN ZN A 301 1555 1555 2.03 CISPEP 1 SER A 29 PRO A 30 0 -2.47 CISPEP 2 PRO A 201 PRO A 202 0 11.78 SITE *** AC1 4 HIS A 94 HIS A 96 HIS A 119 IMD A 302 SITE *** AC2 7 HIS A 94 HIS A 96 HIS A 119 LEU A 198 SITE *** AC2 7 THR A 199 THR A 200 ZN A 301 SITE *** AC3 7 LYS A 18 ASP A 19 VAL A 49 ARG A 182 SITE *** AC3 7 LEU A 185 HOH A 482 HOH A 628 SITE *** AC4 3 TYR A 7 ASP A 243 TRP A 245 SITE *** AC5 1 LEU A 57 SITE *** AC6 4 HIS A 10 GLY A 183 HOH A 599 HOH A 661 SITE *** AC7 1 PRO A 202 SITE *** AC8 4 LEU A 60 ASN A 61 GLY A 171 HOH A 547 SITE *** AC9 5 THR A 37 LYS A 39 GLN A 255 ILE A 256 SITE *** AC9 5 LYS A 257 SITE *** BC1 3 ASP A 130 GLY A 132 HOH A 687 CRYST1 42.371 41.484 71.938 90.00 104.38 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 0.023601 0.000000 0.006051 0.00000 SCALE2 0.000000 0.024106 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014350 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 94 HIS HE2 : A 94 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 96 HIS HE2 : A 96 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 119 HIS HD1 : A 119 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 302 IMD HN3 : A 302 IMD N3 : A 301 ZNZN :(H bumps) USER MOD Set 1.1: A 61 ASN : amide:sc= -0.195 K(o=-0.21,f=-8!) USER MOD Set 1.2: A 241 MET CE :methyl -109:sc= -0.0111 (180deg=-0.0669) USER MOD Set 2.1: A 230 ASN : amide:sc= 0.165 K(o=0.46,f=-0.81) USER MOD Set 2.2: A 232 ASN : amide:sc= 0.297 K(o=0.46,f=-7.2!) USER MOD Set 3.1: A 169 THR OG1 : rot 104:sc= -0.518 USER MOD Set 3.2: A 172 LYS NZ B:NH3+ 143:sc= 0.113 (180deg=0.136) USER MOD Set 4.1: A 158 GLN : amide:sc= -0.168 K(o=0.96,f=-5.3!) USER MOD Set 4.2: A 222 GLN : amide:sc= 1.13 K(o=0.96,f=-6.6!) USER MOD Set 5.1: A 152 SER OG B: rot -108:sc= 0.109 USER MOD Set 5.2: A 217 SER OG B: rot 133:sc= 0.108 USER MOD Set 5.3: A 217 SER OG C: rot -75:sc= 1.96 USER MOD Set 6.1: A 29 SER OG : rot -170:sc= 1.56 USER MOD Set 6.2: A 107 HIS : +bothHN:sc= 2.19 K(o=5.6,f=-8.4!) USER MOD Set 6.3: A 194 TYR OH : rot 149:sc= 1.82 USER MOD Set 7.1: A 99 SER OG : rot -99:sc= 2.32 USER MOD Set 7.2: A 103 GLN B: amide:sc= 0.149 X(o=2.5,f=2.1) USER MOD Set 8.1: A 88 TYR OH : rot -136:sc= 2.65 USER MOD Set 8.2: A 124 ASN : amide:sc= 0.886 K(o=3.5,f=-2.5!) USER MOD Set 9.1: A 55 THR OG1 : rot -110:sc= 0.283 USER MOD Set 9.2: A 76 LYS NZ :NH3+ 152:sc= 1.71 (180deg=0.884) USER MOD Set10.1: A 51 TYR OH : rot 12:sc= 1.3 USER MOD Set10.2: A 122 HIS : no HE2:sc= 1.1 K(o=2.4,f=-5.8!) USER MOD Set11.1: A 15 HIS : no HD1:sc= 0.928 K(o=2.8,f=-6!) USER MOD Set11.2: A 18 LYS NZ :NH3+ 159:sc= 1.83 (180deg=0.583) USER MOD Single : A 4 HIS A: no HD1:sc= 0 X(o=0,f=-0.00083) USER MOD Single : A 7 TYR OH : rot -9:sc= 2.47 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 1.06 K(o=1.1,f=-1.1) USER MOD Single : A 11 ASN : amide:sc= 0.752 K(o=0.75,f=-5.2!) USER MOD Single : A 17 HIS : no HD1:sc= 1.09 K(o=1.1,f=-1.2!) USER MOD Single : A 24 LYS NZ A:NH3+ -166:sc= 0.00261 (180deg=-0.0503) USER MOD Single : A 24 LYS NZ B:NH3+ 174:sc= 0.489 (180deg=0.476) USER MOD Single : A 28 GLN : amide:sc= 1.1 K(o=1.1,f=-5!) USER MOD Single : A 35 THR OG1 : rot -104:sc= 2.21 USER MOD Single : A 36 HIS : no HD1:sc= 0.813 K(o=0.81,f=-0.16) USER MOD Single : A 37 THR OG1 : rot 78:sc= 1.69 USER MOD Single : A 39 LYS NZ A:NH3+ 171:sc= 0.00191 (180deg=-0.0605) USER MOD Single : A 39 LYS NZ B:NH3+ 172:sc= 1.03 (180deg=0.981) USER MOD Single : A 40 TYR OH : rot -1:sc= 1.26 USER MOD Single : A 43 SER OG : rot -60:sc= 1.27 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -86:sc= 0.814 USER MOD Single : A 50 SER OG : rot 60:sc= 2.34 USER MOD Single : A 53 GLN : amide:sc= 0.63 K(o=0.63,f=-0.15) USER MOD Single : A 56 SER OG : rot 116:sc= 1.87 USER MOD Single : A 62 ASN : amide:sc= 0.669 K(o=0.67,f=-8.5!) USER MOD Single : A 67 ASN : amide:sc= 0.992 K(o=0.99,f=-0.64) USER MOD Single : A 73 SER OG : rot -74:sc= 1.49 USER MOD Single : A 74 GLN : amide:sc= 1.68 K(o=1.7,f=1.1) USER MOD Single : A 80 LYS NZ A:NH3+ -107:sc= 0.987 (180deg=-0.167) USER MOD Single : A 87 THR OG1 : rot -148:sc= 0.748 USER MOD Single : A 92 GLN : amide:sc= 0.772 K(o=0.77,f=-6.3!) USER MOD Single : A 103 GLN A: amide:sc= 1.62 X(o=1.6,f=1.2) USER MOD Single : A 105 SER OG : rot 105:sc= 1.22 USER MOD Single : A 108 THR OG1 : rot 78:sc= 2.39 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 0.98 (180deg=0.934) USER MOD Single : A 113 LYS NZ A:NH3+ 160:sc= 0.518 (180deg=0.366) USER MOD Single : A 113 LYS NZ B:NH3+ 167:sc= 0.194 (180deg=0.145) USER MOD Single : A 114 TYR OH : rot -132:sc= 2.22 USER MOD Single : A 125 THR OG1 : rot 168:sc= 2.07 USER MOD Single : A 127 LYS NZ :NH3+ -174:sc= 1.13 (180deg=1.12) USER MOD Single : A 128 TYR OH : rot -151:sc= 1.3 USER MOD Single : A 133 LYS NZ A:NH3+ -148:sc= -0.136 (180deg=-0.754) USER MOD Single : A 133 LYS NZ B:NH3+ 162:sc= -0.0438 (180deg=-0.644) USER MOD Single : A 136 GLN A: amide:sc= 0.694 X(o=0.69,f=0.63) USER MOD Single : A 136 GLN B: amide:sc= -1.14 K(o=-1.1,f=-2.6!) USER MOD Single : A 137 GLN : amide:sc= 0.114 K(o=0.11,f=-0.46) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 SER OG A: rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 170:sc= 0.996 (180deg=0.926) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot -53:sc= 2.14 USER MOD Single : A 168 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ -138:sc= 0.109 (180deg=0.00288) USER MOD Single : A 172 LYS NZ A:NH3+ -136:sc= -0.11 (180deg=-0.595) USER MOD Single : A 173 SER OG : rot 81:sc= 0.0396 USER MOD Single : A 177 THR OG1 : rot -82:sc= 1.96 USER MOD Single : A 178 ASN : amide:sc= 0.667 X(o=0.67,f=0.62) USER MOD Single : A 188 SER OG : rot 180:sc= 0.179 USER MOD Single : A 191 TYR OH : rot -165:sc= -0.0898 USER MOD Single : A 193 THR OG1 : rot 46:sc= 1.79 USER MOD Single : A 197 SER OG : rot 82:sc= 1.56 USER MOD Single : A 199 THR OG1 : rot 172:sc= 1.23 USER MOD Single : A 200 THR OG1 : rot 93:sc= 1.1 USER MOD Single : A 206 CYS SG : rot -54:sc= 0 USER MOD Single : A 208 THR OG1 : rot 95:sc= 2.11 USER MOD Single : A 213 LYS NZ :NH3+ -166:sc= 0.0776 (180deg=-0.0903) USER MOD Single : A 217 SER OG A: rot -151:sc= 0.249 USER MOD Single : A 219 SER OG : rot 180:sc= -0.187 USER MOD Single : A 220 SER OG A: rot 180:sc= 0 USER MOD Single : A 220 SER OG B: rot 23:sc= 1.98 USER MOD Single : A 225 LYS NZ :NH3+ -178:sc= 0.893 (180deg=0.892) USER MOD Single : A 228 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1) USER MOD Single : A 244 ASN : amide:sc= 1.37 K(o=1.4,f=-7.5!) USER MOD Single : A 249 GLN : amide:sc= 2.45 K(o=2.5,f=1.5) USER MOD Single : A 252 LYS NZ :NH3+ -167:sc= 1.83 (180deg=1.68) USER MOD Single : A 253 ASN A: amide:sc= -0.691 X(o=-0.69,f=-0.19) USER MOD Single : A 253 ASN B: amide:sc= 0.00122 X(o=0.0012,f=-0.019) USER MOD Single : A 255 GLN A: amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 255 GLN B: amide:sc= -0.0711 X(o=-0.071,f=-0.012) USER MOD Single : A 257 LYS NZ :NH3+ 140:sc= -2.05! (180deg=-3.89!) USER MOD Single : A 259 SER OG : rot 170:sc= 0.364 USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 4 11.257 -0.543 8.206 1.00 18.65 N ANISOU 1 N HIS A 4 1970 2664 2453 30 447 -84 N ATOM 2 CA HIS A 4 10.194 0.098 8.967 1.00 17.75 C ANISOU 2 CA HIS A 4 1908 2509 2329 0 394 -56 C ATOM 3 C HIS A 4 9.371 -0.946 9.694 1.00 16.02 C ANISOU 3 C HIS A 4 1712 2259 2115 34 320 -77 C ATOM 4 O HIS A 4 9.463 -2.131 9.411 1.00 16.47 O ANISOU 4 O HIS A 4 1765 2317 2177 79 316 -112 O ATOM 5 CB AHIS A 4 9.288 0.910 8.046 0.77 16.66 C ANISOU 5 CB AHIS A 4 1848 2367 2116 -7 424 -26 C ATOM 6 CG AHIS A 4 10.000 2.005 7.313 0.77 18.91 C ANISOU 6 CG AHIS A 4 2131 2667 2388 -43 507 9 C ATOM 7 ND1AHIS A 4 10.288 1.943 5.965 0.77 25.93 N ANISOU 7 ND1AHIS A 4 3037 3593 3221 -20 579 12 N ATOM 8 CD2AHIS A 4 10.478 3.195 7.745 0.77 18.17 C ANISOU 8 CD2AHIS A 4 2024 2552 2330 -105 534 42 C ATOM 9 CE1AHIS A 4 10.912 3.052 5.601 0.77 22.03 C ANISOU 9 CE1AHIS A 4 2544 3098 2728 -68 654 54 C ATOM 10 NE2AHIS A 4 11.033 3.829 6.662 0.77 21.89 N ANISOU 10 NE2AHIS A 4 2509 3040 2770 -124 628 70 N ATOM 0 HA HIS A 4 10.601 0.695 9.614 1.00 17.75 H new ATOM 0 HB2AHIS A 4 8.878 0.313 7.401 0.77 16.66 H new ATOM 0 HB3AHIS A 4 8.570 1.297 8.571 0.77 16.66 H new ATOM 0 HD2AHIS A 4 10.438 3.522 8.615 0.77 18.17 H new ATOM 0 HE1AHIS A 4 11.214 3.250 4.744 0.77 22.03 H new ATOM 0 HE2AHIS A 4 11.400 4.607 6.672 0.77 21.89 H new ATOM 17 N TRP A 5 8.528 -0.491 10.608 1.00 13.96 N ANISOU 17 N TRP A 5 1481 1968 1854 9 269 -57 N ATOM 18 CA TRP A 5 7.749 -1.409 11.415 1.00 10.20 C ANISOU 18 CA TRP A 5 1026 1462 1386 28 208 -71 C ATOM 19 C TRP A 5 6.748 -2.184 10.570 1.00 10.14 C ANISOU 19 C TRP A 5 1070 1450 1333 55 208 -98 C ATOM 20 O TRP A 5 6.254 -1.702 9.537 1.00 10.68 O ANISOU 20 O TRP A 5 1172 1541 1345 56 236 -99 O ATOM 21 CB TRP A 5 7.033 -0.645 12.527 1.00 10.63 C ANISOU 21 CB TRP A 5 1099 1495 1442 -6 162 -45 C ATOM 22 CG TRP A 5 5.864 0.212 12.091 1.00 9.09 C ANISOU 22 CG TRP A 5 961 1298 1194 -21 164 -30 C ATOM 23 CD1 TRP A 5 5.888 1.535 11.736 1.00 10.27 C ANISOU 23 CD1 TRP A 5 1128 1449 1323 -46 193 -2 C ATOM 24 CD2 TRP A 5 4.495 -0.202 11.992 1.00 9.32 C ANISOU 24 CD2 TRP A 5 1036 1323 1184 -9 134 -44 C ATOM 25 NE1 TRP A 5 4.644 1.957 11.421 1.00 10.84 N ANISOU 25 NE1 TRP A 5 1257 1521 1342 -36 180 6 N ATOM 26 CE2 TRP A 5 3.761 0.917 11.567 1.00 10.06 C ANISOU 26 CE2 TRP A 5 1167 1426 1230 -15 141 -24 C ATOM 27 CE3 TRP A 5 3.814 -1.406 12.222 1.00 8.48 C ANISOU 27 CE3 TRP A 5 940 1202 1079 4 105 -74 C ATOM 28 CZ2 TRP A 5 2.386 0.871 11.368 1.00 11.10 C ANISOU 28 CZ2 TRP A 5 1334 1570 1314 -2 114 -38 C ATOM 29 CZ3 TRP A 5 2.452 -1.434 12.033 1.00 9.05 C ANISOU 29 CZ3 TRP A 5 1045 1282 1110 1 84 -90 C ATOM 30 CH2 TRP A 5 1.756 -0.303 11.605 1.00 10.47 C ANISOU 30 CH2 TRP A 5 1250 1488 1240 2 86 -75 C ATOM 0 H TRP A 5 8.394 0.342 10.775 1.00 13.96 H new ATOM 0 HA TRP A 5 8.357 -2.053 11.811 1.00 10.20 H new ATOM 0 HB2 TRP A 5 6.716 -1.285 13.183 1.00 10.63 H new ATOM 0 HB3 TRP A 5 7.680 -0.077 12.974 1.00 10.63 H new ATOM 0 HD1 TRP A 5 6.651 2.066 11.715 1.00 10.27 H new ATOM 0 HE1 TRP A 5 4.438 2.753 11.169 1.00 10.84 H new ATOM 0 HE3 TRP A 5 4.272 -2.167 12.496 1.00 8.48 H new ATOM 0 HZ2 TRP A 5 1.916 1.621 11.082 1.00 11.10 H new ATOM 0 HZ3 TRP A 5 1.986 -2.222 12.194 1.00 9.05 H new ATOM 0 HH2 TRP A 5 0.836 -0.357 11.479 1.00 10.47 H new ATOM 41 N GLY A 6 6.437 -3.377 11.027 1.00 8.68 N ANISOU 41 N GLY A 6 895 1234 1170 76 177 -123 N ATOM 42 CA GLY A 6 5.431 -4.200 10.391 1.00 9.16 C ANISOU 42 CA GLY A 6 999 1283 1198 88 171 -162 C ATOM 43 C GLY A 6 5.065 -5.367 11.287 1.00 8.58 C ANISOU 43 C GLY A 6 941 1156 1165 92 136 -175 C ATOM 44 O GLY A 6 5.053 -5.250 12.519 1.00 8.89 O ANISOU 44 O GLY A 6 974 1172 1231 78 104 -142 O ATOM 0 H GLY A 6 6.803 -3.736 11.717 1.00 8.68 H new ATOM 0 HA2 GLY A 6 4.642 -3.669 10.202 1.00 9.16 H new ATOM 0 HA3 GLY A 6 5.763 -4.528 9.541 1.00 9.16 H new ATOM 48 N TYR A 7 4.762 -6.494 10.654 1.00 8.57 N ANISOU 48 N TYR A 7 964 1131 1162 111 147 -225 N ATOM 49 CA TYR A 7 4.298 -7.673 11.359 1.00 8.74 C ANISOU 49 CA TYR A 7 1016 1085 1220 109 126 -239 C ATOM 50 C TYR A 7 5.076 -8.900 10.913 1.00 14.35 C ANISOU 50 C TYR A 7 1732 1756 1965 158 150 -277 C ATOM 51 O TYR A 7 4.613 -10.030 11.093 1.00 16.68 O ANISOU 51 O TYR A 7 2068 1984 2287 158 147 -306 O ATOM 52 CB TYR A 7 2.811 -7.911 11.142 1.00 9.94 C ANISOU 52 CB TYR A 7 1202 1229 1344 67 112 -275 C ATOM 53 CG TYR A 7 1.919 -6.822 11.714 1.00 7.77 C ANISOU 53 CG TYR A 7 923 989 1039 27 86 -242 C ATOM 54 CD1 TYR A 7 1.538 -6.828 13.042 1.00 7.76 C ANISOU 54 CD1 TYR A 7 930 957 1062 1 60 -205 C ATOM 55 CD2 TYR A 7 1.478 -5.780 10.908 1.00 7.96 C ANISOU 55 CD2 TYR A 7 941 1077 1005 24 88 -247 C ATOM 56 CE1 TYR A 7 0.729 -5.848 13.551 1.00 6.42 C ANISOU 56 CE1 TYR A 7 755 821 864 -29 38 -182 C ATOM 57 CE2 TYR A 7 0.661 -4.812 11.402 1.00 6.34 C ANISOU 57 CE2 TYR A 7 736 899 774 0 64 -221 C ATOM 58 CZ TYR A 7 0.283 -4.835 12.724 1.00 6.48 C ANISOU 58 CZ TYR A 7 755 887 820 -28 39 -192 C ATOM 59 OH TYR A 7 -0.544 -3.858 13.157 1.00 6.68 O ANISOU 59 OH TYR A 7 778 943 816 -45 18 -174 O ATOM 0 H TYR A 7 4.821 -6.593 9.802 1.00 8.57 H new ATOM 0 HA TYR A 7 4.447 -7.518 12.305 1.00 8.74 H new ATOM 0 HB2 TYR A 7 2.641 -7.988 10.190 1.00 9.94 H new ATOM 0 HB3 TYR A 7 2.567 -8.760 11.543 1.00 9.94 H new ATOM 0 HD1 TYR A 7 1.836 -7.510 13.600 1.00 7.76 H new ATOM 0 HD2 TYR A 7 1.745 -5.744 10.018 1.00 7.96 H new ATOM 0 HE1 TYR A 7 0.481 -5.864 14.447 1.00 6.42 H new ATOM 0 HE2 TYR A 7 0.357 -4.133 10.844 1.00 6.34 H new ATOM 0 HH TYR A 7 -0.816 -4.043 13.930 1.00 6.68 H new ATOM 69 N GLY A 8 6.258 -8.683 10.338 1.00 12.20 N ANISOU 69 N GLY A 8 1420 1522 1695 200 178 -279 N ATOM 70 CA GLY A 8 7.134 -9.785 9.974 1.00 15.84 C ANISOU 70 CA GLY A 8 1877 1951 2189 261 201 -315 C ATOM 71 C GLY A 8 7.927 -10.244 11.185 1.00 12.00 C ANISOU 71 C GLY A 8 1376 1425 1759 300 177 -275 C ATOM 72 O GLY A 8 7.904 -9.659 12.251 1.00 20.46 O ANISOU 72 O GLY A 8 2433 2502 2837 279 144 -222 O ATOM 0 H GLY A 8 6.568 -7.903 10.152 1.00 12.20 H new ATOM 0 HA2 GLY A 8 6.610 -10.522 9.624 1.00 15.84 H new ATOM 0 HA3 GLY A 8 7.739 -9.507 9.269 1.00 15.84 H new ATOM 76 N LYS A 9 8.790 -11.238 10.956 1.00 20.78 N ANISOU 76 N LYS A 9 2484 2506 2905 371 195 -303 N ATOM 77 CA LYS A 9 9.696 -11.736 11.992 1.00 24.32 C ANISOU 77 CA LYS A 9 2914 2927 3400 434 170 -268 C ATOM 78 C LYS A 9 10.746 -10.677 12.319 1.00 24.52 C ANISOU 78 C LYS A 9 2849 3042 3426 441 163 -237 C ATOM 79 O LYS A 9 11.226 -10.584 13.467 1.00 27.45 O ANISOU 79 O LYS A 9 3194 3416 3818 465 123 -195 O ATOM 80 CB LYS A 9 10.411 -13.022 11.550 1.00 28.27 C ANISOU 80 CB LYS A 9 3429 3377 3935 522 193 -311 C ATOM 81 CG LYS A 9 11.432 -13.534 12.571 1.00 33.24 C ANISOU 81 CG LYS A 9 4036 3987 4606 608 164 -274 C ATOM 82 CD LYS A 9 12.350 -14.607 11.990 1.00 35.97 C ANISOU 82 CD LYS A 9 4378 4306 4984 712 192 -321 C ATOM 83 CE LYS A 9 11.563 -15.829 11.510 1.00 38.01 C ANISOU 83 CE LYS A 9 4739 4446 5257 717 215 -366 C ATOM 84 NZ LYS A 9 12.447 -16.885 10.932 1.00 41.70 N ANISOU 84 NZ LYS A 9 5214 4882 5750 813 246 -408 N ATOM 0 H LYS A 9 8.865 -11.640 10.199 1.00 20.78 H new ATOM 0 HA LYS A 9 9.160 -11.934 12.776 1.00 24.32 H new ATOM 0 HB2 LYS A 9 9.749 -13.713 11.390 1.00 28.27 H new ATOM 0 HB3 LYS A 9 10.861 -12.860 10.706 1.00 28.27 H new ATOM 0 HG2 LYS A 9 11.968 -12.791 12.889 1.00 33.24 H new ATOM 0 HG3 LYS A 9 10.963 -13.895 13.340 1.00 33.24 H new ATOM 0 HD2 LYS A 9 12.854 -14.235 11.249 1.00 35.97 H new ATOM 0 HD3 LYS A 9 12.994 -14.880 12.662 1.00 35.97 H new ATOM 0 HE2 LYS A 9 11.063 -16.201 12.253 1.00 38.01 H new ATOM 0 HE3 LYS A 9 10.916 -15.552 10.843 1.00 38.01 H new ATOM 0 HZ1 LYS A 9 11.951 -17.575 10.666 1.00 41.70 H new ATOM 0 HZ2 LYS A 9 12.890 -16.553 10.235 1.00 41.70 H new ATOM 0 HZ3 LYS A 9 13.027 -17.157 11.549 1.00 41.70 H new ATOM 98 N HIS A 10 11.107 -9.857 11.332 1.00 16.58 N ANISOU 98 N HIS A 10 1794 2110 2394 418 202 -259 N ATOM 99 CA HIS A 10 12.197 -8.952 11.581 1.00 14.08 C ANISOU 99 CA HIS A 10 1386 1871 2090 418 206 -240 C ATOM 100 C HIS A 10 11.773 -7.556 11.984 1.00 13.97 C ANISOU 100 C HIS A 10 1361 1894 2055 336 193 -201 C ATOM 101 O HIS A 10 12.601 -6.794 12.460 1.00 13.47 O ANISOU 101 O HIS A 10 1225 1882 2010 323 187 -186 O ATOM 102 CB HIS A 10 13.135 -8.931 10.386 1.00 14.49 C ANISOU 102 CB HIS A 10 1382 1984 2139 448 268 -283 C ATOM 103 CG HIS A 10 13.681 -10.287 10.048 1.00 21.66 C ANISOU 103 CG HIS A 10 2297 2860 3074 541 281 -327 C ATOM 104 ND1 HIS A 10 14.677 -10.897 10.783 1.00 23.02 N ANISOU 104 ND1 HIS A 10 2421 3033 3292 622 255 -325 N ATOM 105 CD2 HIS A 10 13.344 -11.166 9.075 1.00 21.93 C ANISOU 105 CD2 HIS A 10 2383 2856 3092 572 314 -379 C ATOM 106 CE1 HIS A 10 14.950 -12.081 10.261 1.00 23.21 C ANISOU 106 CE1 HIS A 10 2479 3012 3327 693 275 -360 C ATOM 107 NE2 HIS A 10 14.146 -12.274 9.229 1.00 24.56 N ANISOU 107 NE2 HIS A 10 2708 3159 3466 666 312 -402 N ATOM 0 H HIS A 10 10.748 -9.816 10.552 1.00 16.58 H new ATOM 0 HA HIS A 10 12.667 -9.295 12.357 1.00 14.08 H new ATOM 0 HB2 HIS A 10 12.663 -8.577 9.616 1.00 14.49 H new ATOM 0 HB3 HIS A 10 13.872 -8.327 10.570 1.00 14.49 H new ATOM 0 HD2 HIS A 10 12.692 -11.044 8.423 1.00 21.93 H new ATOM 0 HE1 HIS A 10 15.596 -12.676 10.567 1.00 23.21 H new ATOM 0 HE2 HIS A 10 14.127 -12.977 8.735 1.00 24.56 H new ATOM 115 N ASN A 11 10.496 -7.232 11.849 1.00 12.03 N ANISOU 115 N ASN A 11 1180 1619 1772 282 186 -191 N ATOM 116 CA ASN A 11 10.054 -5.886 12.153 1.00 10.85 C ANISOU 116 CA ASN A 11 1025 1497 1599 214 177 -157 C ATOM 117 C ASN A 11 8.733 -5.851 12.912 1.00 10.26 C ANISOU 117 C ASN A 11 1013 1378 1507 179 133 -135 C ATOM 118 O ASN A 11 8.092 -4.798 12.981 1.00 10.38 O ANISOU 118 O ASN A 11 1041 1409 1494 128 128 -115 O ATOM 119 CB ASN A 11 9.923 -5.068 10.871 1.00 11.94 C ANISOU 119 CB ASN A 11 1167 1676 1694 182 231 -166 C ATOM 120 CG ASN A 11 8.869 -5.620 9.944 1.00 12.41 C ANISOU 120 CG ASN A 11 1292 1714 1707 188 243 -197 C ATOM 121 OD1 ASN A 11 8.275 -6.671 10.203 1.00 12.51 O ANISOU 121 OD1 ASN A 11 1344 1677 1731 207 216 -218 O ATOM 122 ND2 ASN A 11 8.618 -4.909 8.854 1.00 14.11 N ANISOU 122 ND2 ASN A 11 1522 1970 1869 171 283 -199 N ATOM 0 H ASN A 11 9.878 -7.770 11.586 1.00 12.03 H new ATOM 0 HA ASN A 11 10.731 -5.499 12.730 1.00 10.85 H new ATOM 0 HB2 ASN A 11 9.704 -4.150 11.096 1.00 11.94 H new ATOM 0 HB3 ASN A 11 10.777 -5.051 10.412 1.00 11.94 H new ATOM 0 HD21 ASN A 11 8.021 -5.175 8.295 1.00 14.11 H new ATOM 0 HD22 ASN A 11 9.052 -4.181 8.706 1.00 14.11 H new ATOM 129 N GLY A 12 8.365 -6.972 13.518 1.00 9.70 N ANISOU 129 N GLY A 12 982 1251 1455 207 106 -136 N ATOM 130 CA GLY A 12 7.093 -7.123 14.185 1.00 9.77 C ANISOU 130 CA GLY A 12 1048 1216 1448 171 77 -120 C ATOM 131 C GLY A 12 7.043 -6.504 15.562 1.00 9.08 C ANISOU 131 C GLY A 12 949 1136 1363 152 34 -75 C ATOM 132 O GLY A 12 7.995 -5.860 16.021 1.00 8.33 O ANISOU 132 O GLY A 12 799 1082 1282 161 21 -60 O ATOM 0 H GLY A 12 8.859 -7.675 13.551 1.00 9.70 H new ATOM 0 HA2 GLY A 12 6.401 -6.723 13.636 1.00 9.77 H new ATOM 0 HA3 GLY A 12 6.887 -8.068 14.258 1.00 9.77 H new ATOM 136 N PRO A 13 5.932 -6.733 16.253 1.00 8.39 N ANISOU 136 N PRO A 13 913 1014 1263 124 13 -59 N ATOM 137 CA PRO A 13 5.643 -6.082 17.525 1.00 8.32 C ANISOU 137 CA PRO A 13 902 1016 1242 101 -24 -21 C ATOM 138 C PRO A 13 6.776 -6.112 18.540 1.00 8.16 C ANISOU 138 C PRO A 13 844 1014 1242 145 -57 5 C ATOM 139 O PRO A 13 6.937 -5.137 19.291 1.00 7.99 O ANISOU 139 O PRO A 13 793 1033 1209 124 -84 20 O ATOM 140 CB PRO A 13 4.426 -6.853 18.017 1.00 9.53 C ANISOU 140 CB PRO A 13 1118 1118 1386 79 -28 -13 C ATOM 141 CG PRO A 13 3.692 -7.173 16.769 1.00 9.46 C ANISOU 141 CG PRO A 13 1129 1097 1368 56 4 -59 C ATOM 142 CD PRO A 13 4.761 -7.495 15.766 1.00 9.74 C ANISOU 142 CD PRO A 13 1139 1140 1423 101 29 -86 C ATOM 0 HA PRO A 13 5.502 -5.129 17.410 1.00 8.32 H new ATOM 0 HB2 PRO A 13 4.682 -7.656 18.497 1.00 9.53 H new ATOM 0 HB3 PRO A 13 3.886 -6.321 18.622 1.00 9.53 H new ATOM 0 HG2 PRO A 13 3.092 -7.924 16.897 1.00 9.46 H new ATOM 0 HG3 PRO A 13 3.150 -6.423 16.477 1.00 9.46 H new ATOM 0 HD2 PRO A 13 4.943 -8.447 15.732 1.00 9.74 H new ATOM 0 HD3 PRO A 13 4.505 -7.223 14.871 1.00 9.74 H new ATOM 150 N GLU A 14 7.547 -7.188 18.607 1.00 9.75 N ANISOU 150 N GLU A 14 1046 1189 1471 209 -57 7 N ATOM 151 CA AGLU A 14 8.596 -7.316 19.602 0.64 9.72 C ANISOU 151 CA AGLU A 14 1005 1211 1479 266 -97 29 C ATOM 152 CA CGLU A 14 8.592 -7.298 19.619 0.36 11.86 C ANISOU 152 CA CGLU A 14 1275 1482 1750 265 -97 30 C ATOM 153 C GLU A 14 9.772 -6.366 19.316 1.00 9.94 C ANISOU 153 C GLU A 14 937 1318 1523 266 -99 5 C ATOM 154 O GLU A 14 10.640 -6.147 20.176 1.00 11.30 O ANISOU 154 O GLU A 14 1055 1536 1701 299 -140 11 O ATOM 155 CB AGLU A 14 9.063 -8.769 19.685 0.64 13.44 C ANISOU 155 CB AGLU A 14 1508 1625 1973 348 -95 39 C ATOM 156 CB CGLU A 14 9.057 -8.748 19.760 0.36 15.62 C ANISOU 156 CB CGLU A 14 1784 1902 2248 348 -98 41 C ATOM 157 CG AGLU A 14 9.805 -9.273 18.463 0.64 10.79 C ANISOU 157 CG AGLU A 14 1143 1288 1669 388 -58 -5 C ATOM 158 CG CGLU A 14 8.609 -9.465 21.052 0.36 19.69 C ANISOU 158 CG CGLU A 14 2368 2368 2746 377 -127 95 C ATOM 159 CD AGLU A 14 8.971 -9.824 17.294 0.64 12.30 C ANISOU 159 CD AGLU A 14 1389 1424 1862 357 -9 -40 C ATOM 160 CD CGLU A 14 7.274 -8.984 21.619 0.36 18.08 C ANISOU 160 CD CGLU A 14 2212 2152 2507 300 -128 117 C ATOM 161 OE1AGLU A 14 7.797 -9.424 17.048 0.64 11.56 O ANISOU 161 OE1AGLU A 14 1331 1319 1743 284 2 -45 O ATOM 162 OE1CGLU A 14 7.293 -8.184 22.578 0.36 23.78 O ANISOU 162 OE1CGLU A 14 2910 2925 3198 287 -165 138 O ATOM 163 OE2AGLU A 14 9.573 -10.640 16.543 0.64 17.39 O ANISOU 163 OE2AGLU A 14 2030 2045 2530 413 17 -72 O ATOM 164 OE2CGLU A 14 6.203 -9.415 21.142 0.36 20.26 O ANISOU 164 OE2CGLU A 14 2544 2371 2784 252 -93 107 O ATOM 0 H AGLU A 14 7.476 -7.862 18.078 0.64 9.75 H new ATOM 0 H CGLU A 14 7.484 -7.864 18.079 0.36 9.75 H new ATOM 0 HA AGLU A 14 8.230 -7.058 20.463 0.64 11.86 H new ATOM 0 HA CGLU A 14 8.213 -7.017 20.467 0.36 11.86 H new ATOM 0 HB2AGLU A 14 9.639 -8.866 20.459 0.64 15.62 H new ATOM 0 HB2CGLU A 14 8.730 -9.252 18.999 0.36 15.62 H new ATOM 0 HB3AGLU A 14 8.290 -9.335 19.834 0.64 15.62 H new ATOM 0 HB3CGLU A 14 10.026 -8.767 19.717 0.36 15.62 H new ATOM 0 HG2AGLU A 14 10.349 -8.545 18.124 0.64 19.69 H new ATOM 0 HG2CGLU A 14 8.547 -10.417 20.874 0.36 19.69 H new ATOM 0 HG3AGLU A 14 10.413 -9.972 18.751 0.64 19.69 H new ATOM 0 HG3CGLU A 14 9.295 -9.347 21.728 0.36 19.69 H new ATOM 177 N HIS A 15 9.804 -5.774 18.113 1.00 9.33 N ANISOU 177 N HIS A 15 836 1260 1450 227 -54 -25 N ATOM 178 CA HIS A 15 10.818 -4.827 17.716 1.00 8.43 C ANISOU 178 CA HIS A 15 638 1212 1353 208 -38 -48 C ATOM 179 C HIS A 15 10.415 -3.369 17.847 1.00 8.16 C ANISOU 179 C HIS A 15 596 1201 1303 130 -37 -43 C ATOM 180 O HIS A 15 11.273 -2.493 17.805 1.00 8.90 O ANISOU 180 O HIS A 15 622 1343 1417 103 -27 -59 O ATOM 181 CB HIS A 15 11.224 -5.038 16.268 1.00 9.31 C ANISOU 181 CB HIS A 15 731 1331 1474 217 23 -78 C ATOM 182 CG HIS A 15 11.863 -6.369 16.012 1.00 11.38 C ANISOU 182 CG HIS A 15 988 1577 1760 301 29 -95 C ATOM 183 ND1 HIS A 15 13.211 -6.613 16.187 1.00 12.30 N ANISOU 183 ND1 HIS A 15 1021 1743 1909 359 22 -113 N ATOM 184 CD2 HIS A 15 11.319 -7.538 15.593 1.00 11.34 C ANISOU 184 CD2 HIS A 15 1050 1507 1752 338 42 -103 C ATOM 185 CE1 HIS A 15 13.452 -7.880 15.882 1.00 11.72 C ANISOU 185 CE1 HIS A 15 971 1631 1849 438 30 -126 C ATOM 186 NE2 HIS A 15 12.326 -8.460 15.520 1.00 14.43 N ANISOU 186 NE2 HIS A 15 1409 1900 2174 423 44 -121 N ATOM 0 H HIS A 15 9.218 -5.925 17.502 1.00 9.33 H new ATOM 0 HA HIS A 15 11.547 -4.999 18.332 1.00 8.43 H new ATOM 0 HB2 HIS A 15 10.440 -4.950 15.704 1.00 9.31 H new ATOM 0 HB3 HIS A 15 11.841 -4.336 16.007 1.00 9.31 H new ATOM 0 HD2 HIS A 15 10.423 -7.686 15.392 1.00 11.34 H new ATOM 0 HE1 HIS A 15 14.284 -8.294 15.918 1.00 11.72 H new ATOM 0 HE2 HIS A 15 12.239 -9.281 15.278 1.00 14.43 H new ATOM 194 N TRP A 16 9.123 -3.109 17.958 1.00 7.10 N ANISOU 194 N TRP A 16 531 1032 1136 93 -41 -26 N ATOM 195 CA TRP A 16 8.619 -1.759 17.828 1.00 6.99 C ANISOU 195 CA TRP A 16 524 1029 1104 30 -30 -24 C ATOM 196 C TRP A 16 9.211 -0.797 18.859 1.00 6.70 C ANISOU 196 C TRP A 16 440 1026 1082 3 -64 -26 C ATOM 197 O TRP A 16 9.368 0.401 18.579 1.00 7.43 O ANISOU 197 O TRP A 16 514 1128 1180 -49 -41 -34 O ATOM 198 CB TRP A 16 7.092 -1.723 17.924 1.00 6.75 C ANISOU 198 CB TRP A 16 567 964 1034 9 -38 -10 C ATOM 199 CG TRP A 16 6.394 -2.413 16.790 1.00 5.67 C ANISOU 199 CG TRP A 16 472 803 879 18 -5 -22 C ATOM 200 CD1 TRP A 16 6.956 -2.914 15.653 1.00 7.30 C ANISOU 200 CD1 TRP A 16 665 1015 1095 42 35 -43 C ATOM 201 CD2 TRP A 16 5.010 -2.675 16.691 1.00 5.90 C ANISOU 201 CD2 TRP A 16 556 810 877 4 -9 -24 C ATOM 202 NE1 TRP A 16 5.993 -3.480 14.850 1.00 6.88 N ANISOU 202 NE1 TRP A 16 659 941 1014 44 51 -60 N ATOM 203 CE2 TRP A 16 4.782 -3.341 15.478 1.00 6.01 C ANISOU 203 CE2 TRP A 16 588 816 882 18 23 -50 C ATOM 204 CE3 TRP A 16 3.936 -2.438 17.530 1.00 6.41 C ANISOU 204 CE3 TRP A 16 651 866 920 -20 -37 -11 C ATOM 205 CZ2 TRP A 16 3.503 -3.749 15.070 1.00 6.88 C ANISOU 205 CZ2 TRP A 16 739 912 962 4 24 -71 C ATOM 206 CZ3 TRP A 16 2.660 -2.831 17.130 1.00 6.56 C ANISOU 206 CZ3 TRP A 16 707 873 912 -34 -30 -27 C ATOM 207 CH2 TRP A 16 2.462 -3.498 15.921 1.00 6.79 C ANISOU 207 CH2 TRP A 16 748 896 935 -24 -3 -58 C ATOM 0 H TRP A 16 8.521 -3.704 18.109 1.00 7.10 H new ATOM 0 HA TRP A 16 8.898 -1.461 16.948 1.00 6.99 H new ATOM 0 HB2 TRP A 16 6.820 -2.136 18.759 1.00 6.75 H new ATOM 0 HB3 TRP A 16 6.801 -0.798 17.956 1.00 6.75 H new ATOM 0 HD1 TRP A 16 7.863 -2.878 15.449 1.00 7.30 H new ATOM 0 HE1 TRP A 16 6.127 -3.855 14.088 1.00 6.88 H new ATOM 0 HE3 TRP A 16 4.064 -2.021 18.351 1.00 6.41 H new ATOM 0 HZ2 TRP A 16 3.368 -4.173 14.253 1.00 6.88 H new ATOM 0 HZ3 TRP A 16 1.931 -2.646 17.677 1.00 6.56 H new ATOM 0 HH2 TRP A 16 1.606 -3.777 15.689 1.00 6.79 H new ATOM 218 N HIS A 17 9.550 -1.299 20.041 1.00 7.94 N ANISOU 218 N HIS A 17 578 1198 1242 39 -117 -21 N ATOM 219 CA HIS A 17 10.048 -0.439 21.110 1.00 8.71 C ANISOU 219 CA HIS A 17 630 1335 1345 17 -159 -34 C ATOM 220 C HIS A 17 11.310 0.307 20.727 1.00 9.16 C ANISOU 220 C HIS A 17 598 1439 1445 -13 -138 -70 C ATOM 221 O HIS A 17 11.603 1.336 21.330 1.00 9.61 O ANISOU 221 O HIS A 17 619 1520 1511 -60 -157 -93 O ATOM 222 CB HIS A 17 10.307 -1.264 22.376 1.00 9.87 C ANISOU 222 CB HIS A 17 772 1503 1477 79 -221 -21 C ATOM 223 CG HIS A 17 11.449 -2.218 22.247 1.00 9.75 C ANISOU 223 CG HIS A 17 702 1515 1489 149 -230 -29 C ATOM 224 ND1 HIS A 17 12.713 -1.975 22.745 1.00 12.98 N ANISOU 224 ND1 HIS A 17 1021 1993 1919 169 -262 -58 N ATOM 225 CD2 HIS A 17 11.504 -3.421 21.638 1.00 9.95 C ANISOU 225 CD2 HIS A 17 752 1505 1522 207 -207 -15 C ATOM 226 CE1 HIS A 17 13.495 -3.005 22.449 1.00 10.87 C ANISOU 226 CE1 HIS A 17 726 1734 1668 242 -258 -56 C ATOM 227 NE2 HIS A 17 12.786 -3.891 21.777 1.00 15.08 N ANISOU 227 NE2 HIS A 17 1326 2205 2199 271 -228 -34 N ATOM 0 H HIS A 17 9.500 -2.133 20.245 1.00 7.94 H new ATOM 0 HA HIS A 17 9.359 0.223 21.276 1.00 8.71 H new ATOM 0 HB2 HIS A 17 10.482 -0.661 23.115 1.00 9.87 H new ATOM 0 HB3 HIS A 17 9.504 -1.761 22.599 1.00 9.87 H new ATOM 0 HD2 HIS A 17 10.803 -3.852 21.204 1.00 9.95 H new ATOM 0 HE1 HIS A 17 14.393 -3.088 22.677 1.00 10.87 H new ATOM 0 HE2 HIS A 17 13.079 -4.641 21.475 1.00 15.08 H new ATOM 235 N LYS A 18 12.074 -0.212 19.781 1.00 8.96 N ANISOU 235 N LYS A 18 531 1427 1446 11 -98 -81 N ATOM 236 CA LYS A 18 13.335 0.435 19.424 1.00 10.32 C ANISOU 236 CA LYS A 18 614 1649 1659 -22 -69 -114 C ATOM 237 C LYS A 18 13.073 1.774 18.725 1.00 10.65 C ANISOU 237 C LYS A 18 676 1665 1705 -110 -12 -114 C ATOM 238 O LYS A 18 13.802 2.744 18.916 1.00 14.33 O ANISOU 238 O LYS A 18 1113 2143 2187 -162 -2 -127 O ATOM 239 CB LYS A 18 14.173 -0.500 18.543 1.00 10.43 C ANISOU 239 CB LYS A 18 584 1685 1693 31 -33 -125 C ATOM 240 CG LYS A 18 14.715 -1.741 19.283 1.00 10.60 C ANISOU 240 CG LYS A 18 585 1729 1715 127 -88 -123 C ATOM 241 CD LYS A 18 15.474 -2.683 18.370 1.00 11.02 C ANISOU 241 CD LYS A 18 604 1795 1787 187 -49 -136 C ATOM 242 CE LYS A 18 14.486 -3.551 17.632 1.00 10.67 C ANISOU 242 CE LYS A 18 637 1690 1728 223 -23 -123 C ATOM 243 NZ LYS A 18 15.182 -4.479 16.669 1.00 11.75 N ANISOU 243 NZ LYS A 18 744 1836 1883 287 19 -147 N ATOM 0 H LYS A 18 11.890 -0.925 19.337 1.00 8.96 H new ATOM 0 HA LYS A 18 13.837 0.619 20.233 1.00 10.32 H new ATOM 0 HB2 LYS A 18 13.633 -0.793 17.793 1.00 10.43 H new ATOM 0 HB3 LYS A 18 14.920 -0.001 18.177 1.00 10.43 H new ATOM 0 HG2 LYS A 18 15.299 -1.454 20.003 1.00 10.60 H new ATOM 0 HG3 LYS A 18 13.975 -2.218 19.691 1.00 10.60 H new ATOM 0 HD2 LYS A 18 16.013 -2.178 17.741 1.00 11.02 H new ATOM 0 HD3 LYS A 18 16.083 -3.233 18.887 1.00 11.02 H new ATOM 0 HE2 LYS A 18 13.970 -4.070 18.269 1.00 10.67 H new ATOM 0 HE3 LYS A 18 13.859 -2.991 17.148 1.00 10.67 H new ATOM 0 HZ1 LYS A 18 14.648 -5.165 16.479 1.00 11.75 H new ATOM 0 HZ2 LYS A 18 15.376 -4.039 15.920 1.00 11.75 H new ATOM 0 HZ3 LYS A 18 15.933 -4.781 17.038 1.00 11.75 H new ATOM 257 N ASP A 19 12.063 1.819 17.872 1.00 9.89 N ANISOU 257 N ASP A 19 655 1521 1580 -119 28 -88 N ATOM 258 CA ASP A 19 11.659 3.067 17.228 1.00 10.60 C ANISOU 258 CA ASP A 19 786 1579 1664 -186 80 -77 C ATOM 259 C ASP A 19 10.670 3.865 18.098 1.00 11.07 C ANISOU 259 C ASP A 19 903 1603 1701 -214 39 -67 C ATOM 260 O ASP A 19 10.623 5.096 17.978 1.00 10.69 O ANISOU 260 O ASP A 19 871 1528 1663 -273 68 -68 O ATOM 261 CB ASP A 19 10.935 2.792 15.909 1.00 12.59 C ANISOU 261 CB ASP A 19 1105 1801 1876 -168 132 -49 C ATOM 262 CG ASP A 19 11.840 2.549 14.723 1.00 19.66 C ANISOU 262 CG ASP A 19 1960 2726 2785 -164 202 -57 C ATOM 263 OD1 ASP A 19 12.925 3.122 14.649 1.00 18.17 O ANISOU 263 OD1 ASP A 19 1699 2566 2638 -206 238 -76 O ATOM 264 OD2 ASP A 19 11.371 1.803 13.827 1.00 26.82 O ANISOU 264 OD2 ASP A 19 2908 3625 3656 -121 225 -49 O ATOM 0 H ASP A 19 11.592 1.135 17.648 1.00 9.89 H new ATOM 0 HA ASP A 19 12.477 3.570 17.088 1.00 10.60 H new ATOM 0 HB2 ASP A 19 10.362 2.018 16.025 1.00 12.59 H new ATOM 0 HB3 ASP A 19 10.358 3.545 15.709 1.00 12.59 H new ATOM 269 N PHE A 20 9.903 3.192 18.960 1.00 8.84 N ANISOU 269 N PHE A 20 653 1316 1389 -172 -21 -58 N ATOM 270 CA PHE A 20 8.761 3.787 19.668 1.00 8.03 C ANISOU 270 CA PHE A 20 613 1184 1254 -186 -52 -48 C ATOM 271 C PHE A 20 8.837 3.320 21.123 1.00 8.48 C ANISOU 271 C PHE A 20 648 1270 1304 -159 -123 -59 C ATOM 272 O PHE A 20 8.176 2.352 21.505 1.00 8.89 O ANISOU 272 O PHE A 20 736 1318 1326 -114 -150 -38 O ATOM 273 CB PHE A 20 7.436 3.346 19.021 1.00 9.66 C ANISOU 273 CB PHE A 20 897 1359 1414 -159 -38 -20 C ATOM 274 CG PHE A 20 7.368 3.684 17.560 1.00 9.33 C ANISOU 274 CG PHE A 20 880 1301 1364 -169 26 -8 C ATOM 275 CD1 PHE A 20 7.081 4.968 17.144 1.00 12.28 C ANISOU 275 CD1 PHE A 20 1289 1647 1730 -205 59 3 C ATOM 276 CD2 PHE A 20 7.658 2.736 16.608 1.00 10.45 C ANISOU 276 CD2 PHE A 20 1012 1455 1503 -137 56 -7 C ATOM 277 CE1 PHE A 20 7.080 5.282 15.780 1.00 13.90 C ANISOU 277 CE1 PHE A 20 1524 1841 1917 -207 122 22 C ATOM 278 CE2 PHE A 20 7.653 3.042 15.260 1.00 11.57 C ANISOU 278 CE2 PHE A 20 1177 1592 1626 -141 116 3 C ATOM 279 CZ PHE A 20 7.364 4.318 14.859 1.00 12.14 C ANISOU 279 CZ PHE A 20 1288 1641 1684 -175 149 22 C ATOM 0 H PHE A 20 10.033 2.364 19.154 1.00 8.84 H new ATOM 0 HA PHE A 20 8.794 4.755 19.621 1.00 8.03 H new ATOM 0 HB2 PHE A 20 7.328 2.389 19.134 1.00 9.66 H new ATOM 0 HB3 PHE A 20 6.697 3.771 19.483 1.00 9.66 H new ATOM 0 HD1 PHE A 20 6.888 5.627 17.772 1.00 12.28 H new ATOM 0 HD2 PHE A 20 7.862 1.869 16.877 1.00 10.45 H new ATOM 0 HE1 PHE A 20 6.886 6.148 15.502 1.00 13.90 H new ATOM 0 HE2 PHE A 20 7.845 2.385 14.630 1.00 11.57 H new ATOM 0 HZ PHE A 20 7.361 4.529 13.953 1.00 12.14 H new ATOM 289 N PRO A 21 9.681 3.964 21.941 1.00 9.18 N ANISOU 289 N PRO A 21 678 1392 1418 -186 -153 -93 N ATOM 290 CA APRO A 21 9.902 3.479 23.305 0.62 9.74 C ANISOU 290 CA APRO A 21 742 1497 1463 -146 -218 -93 C ATOM 291 CA BPRO A 21 9.918 3.569 23.329 0.38 10.63 C ANISOU 291 CA BPRO A 21 853 1608 1576 -150 -218 -95 C ATOM 292 C PRO A 21 8.641 3.419 24.157 1.00 9.55 C ANISOU 292 C PRO A 21 781 1458 1390 -131 -253 -77 C ATOM 293 O PRO A 21 8.630 2.676 25.116 1.00 9.76 O ANISOU 293 O PRO A 21 815 1508 1387 -86 -296 -62 O ATOM 294 CB APRO A 21 10.925 4.482 23.889 0.62 11.99 C ANISOU 294 CB APRO A 21 987 1801 1768 -185 -228 -125 C ATOM 295 CB BPRO A 21 10.803 4.710 23.861 0.38 12.53 C ANISOU 295 CB BPRO A 21 1063 1861 1836 -196 -224 -126 C ATOM 296 CG APRO A 21 10.853 5.641 22.997 0.62 13.88 C ANISOU 296 CG APRO A 21 1239 2000 2036 -252 -172 -135 C ATOM 297 CG BPRO A 21 11.562 5.162 22.661 0.38 15.10 C ANISOU 297 CG BPRO A 21 1352 2178 2208 -237 -162 -137 C ATOM 298 CD APRO A 21 10.571 5.092 21.636 0.62 12.41 C ANISOU 298 CD APRO A 21 1059 1797 1861 -244 -118 -114 C ATOM 299 CD BPRO A 21 10.622 5.011 21.498 0.38 10.87 C ANISOU 299 CD BPRO A 21 859 1602 1668 -242 -112 -112 C ATOM 0 HA APRO A 21 10.212 2.560 23.300 0.62 10.63 H new ATOM 0 HA BPRO A 21 10.324 2.690 23.389 0.38 10.63 H new ATOM 0 HB2APRO A 21 10.701 4.724 24.801 0.62 12.53 H new ATOM 0 HB2BPRO A 21 10.270 5.428 24.236 0.38 12.53 H new ATOM 0 HB3APRO A 21 11.819 4.105 23.907 0.62 12.53 H new ATOM 0 HB3BPRO A 21 11.398 4.402 24.563 0.38 12.53 H new ATOM 0 HG2APRO A 21 10.154 6.252 23.277 0.62 15.10 H new ATOM 0 HG2BPRO A 21 11.849 6.083 22.758 0.38 15.10 H new ATOM 0 HG3APRO A 21 11.686 6.139 23.006 0.62 15.10 H new ATOM 0 HG3BPRO A 21 12.361 4.627 22.534 0.38 15.10 H new ATOM 0 HD2APRO A 21 10.144 5.747 21.062 0.62 10.87 H new ATOM 0 HD2BPRO A 21 10.163 5.842 21.301 0.38 10.87 H new ATOM 0 HD3APRO A 21 11.380 4.804 21.185 0.62 10.87 H new ATOM 0 HD3BPRO A 21 11.093 4.749 20.691 0.38 10.87 H new ATOM 314 N ILE A 22 7.604 4.154 23.790 1.00 8.52 N ANISOU 314 N ILE A 22 701 1290 1247 -165 -229 -75 N ATOM 315 CA AILE A 22 6.340 4.093 24.517 0.66 8.31 C ANISOU 315 CA AILE A 22 736 1253 1170 -150 -252 -58 C ATOM 316 CA BILE A 22 6.337 4.092 24.511 0.34 8.93 C ANISOU 316 CA BILE A 22 814 1331 1248 -150 -252 -58 C ATOM 317 C ILE A 22 5.724 2.689 24.422 1.00 7.72 C ANISOU 317 C ILE A 22 694 1170 1068 -103 -250 -19 C ATOM 318 O ILE A 22 4.806 2.352 25.153 1.00 8.11 O ANISOU 318 O ILE A 22 785 1221 1077 -89 -268 -2 O ATOM 319 CB AILE A 22 5.368 5.184 24.032 0.66 9.52 C ANISOU 319 CB AILE A 22 940 1366 1313 -183 -221 -61 C ATOM 320 CB BILE A 22 5.352 5.158 23.994 0.34 9.71 C ANISOU 320 CB BILE A 22 965 1389 1337 -182 -220 -60 C ATOM 321 CG1AILE A 22 4.322 5.499 25.095 0.66 9.66 C ANISOU 321 CG1AILE A 22 997 1390 1284 -174 -251 -66 C ATOM 322 CG1BILE A 22 4.261 5.445 25.026 0.34 10.04 C ANISOU 322 CG1BILE A 22 1047 1437 1331 -173 -250 -63 C ATOM 323 CG2AILE A 22 4.729 4.800 22.730 0.66 7.85 C ANISOU 323 CG2AILE A 22 764 1124 1095 -173 -175 -33 C ATOM 324 CG2BILE A 22 4.760 4.736 22.668 0.34 9.46 C ANISOU 324 CG2BILE A 22 966 1328 1300 -171 -173 -32 C ATOM 325 CD1AILE A 22 3.369 6.608 24.708 0.66 11.80 C ANISOU 325 CD1AILE A 22 1315 1625 1543 -192 -228 -73 C ATOM 326 CD1BILE A 22 4.789 5.941 26.361 0.34 11.41 C ANISOU 326 CD1BILE A 22 1206 1626 1503 -165 -287 -98 C ATOM 0 H AILE A 22 7.608 4.696 23.123 0.66 8.52 H new ATOM 0 H BILE A 22 7.610 4.698 23.124 0.34 8.52 H new ATOM 0 HA AILE A 22 6.518 4.268 25.454 0.66 8.93 H new ATOM 0 HA BILE A 22 6.517 4.282 25.445 0.34 8.93 H new ATOM 0 HB AILE A 22 5.881 5.993 23.878 0.66 9.71 H new ATOM 0 HB BILE A 22 5.843 5.983 23.853 0.34 9.71 H new ATOM 0 HG12AILE A 22 3.811 4.696 25.281 0.66 10.04 H new ATOM 0 HG12BILE A 22 3.652 6.107 24.663 0.34 10.04 H new ATOM 0 HG13AILE A 22 4.774 5.745 25.917 0.66 10.04 H new ATOM 0 HG13BILE A 22 3.746 4.636 25.173 0.34 10.04 H new ATOM 0 HG21AILE A 22 4.123 5.502 22.447 0.66 9.46 H new ATOM 0 HG21BILE A 22 4.143 5.417 22.357 0.34 9.46 H new ATOM 0 HG22AILE A 22 5.416 4.676 22.056 0.66 9.46 H new ATOM 0 HG22BILE A 22 5.471 4.623 22.017 0.34 9.46 H new ATOM 0 HG23AILE A 22 4.235 3.973 22.843 0.66 9.46 H new ATOM 0 HG23BILE A 22 4.286 3.897 22.777 0.34 9.46 H new ATOM 0 HD11AILE A 22 2.734 6.755 25.427 0.66 11.41 H new ATOM 0 HD11BILE A 22 4.046 6.102 26.964 0.34 11.41 H new ATOM 0 HD12AILE A 22 3.869 7.423 24.548 0.66 11.41 H new ATOM 0 HD12BILE A 22 5.377 5.272 26.745 0.34 11.41 H new ATOM 0 HD13AILE A 22 2.892 6.358 23.901 0.66 11.41 H new ATOM 0 HD13BILE A 22 5.281 6.766 26.228 0.34 11.41 H new ATOM 349 N ALA A 23 6.242 1.840 23.534 1.00 7.67 N ANISOU 349 N ALA A 23 673 1155 1087 -82 -225 -7 N ATOM 350 CA ALA A 23 5.780 0.452 23.446 1.00 6.86 C ANISOU 350 CA ALA A 23 603 1032 969 -42 -221 23 C ATOM 351 C ALA A 23 5.860 -0.243 24.785 1.00 7.80 C ANISOU 351 C ALA A 23 732 1171 1063 -3 -266 43 C ATOM 352 O ALA A 23 5.143 -1.223 24.998 1.00 8.73 O ANISOU 352 O ALA A 23 899 1260 1158 18 -259 74 O ATOM 353 CB ALA A 23 6.592 -0.313 22.416 1.00 7.42 C ANISOU 353 CB ALA A 23 648 1094 1076 -17 -192 21 C ATOM 0 H ALA A 23 6.861 2.047 22.974 1.00 7.67 H new ATOM 0 HA ALA A 23 4.850 0.469 23.170 1.00 6.86 H new ATOM 0 HB1 ALA A 23 6.275 -1.229 22.369 1.00 7.42 H new ATOM 0 HB2 ALA A 23 6.493 0.108 21.548 1.00 7.42 H new ATOM 0 HB3 ALA A 23 7.528 -0.308 22.672 1.00 7.42 H new ATOM 359 N LYS A 24 6.769 0.203 25.652 1.00 8.57 N ANISOU 359 N LYS A 24 781 1315 1160 8 -310 25 N ATOM 360 CA ALYS A 24 6.929 -0.378 26.989 0.35 10.76 C ANISOU 360 CA ALYS A 24 1067 1623 1397 57 -360 45 C ATOM 361 CA BLYS A 24 6.933 -0.373 26.993 0.65 10.02 C ANISOU 361 CA BLYS A 24 973 1530 1304 57 -360 45 C ATOM 362 C LYS A 24 6.316 0.519 28.060 1.00 11.06 C ANISOU 362 C LYS A 24 1129 1680 1394 33 -383 29 C ATOM 363 O LYS A 24 6.691 0.452 29.234 1.00 12.77 O ANISOU 363 O LYS A 24 1352 1919 1583 57 -419 35 O ATOM 364 CB ALYS A 24 8.407 -0.635 27.305 0.35 12.06 C ANISOU 364 CB ALYS A 24 1166 1834 1584 101 -395 31 C ATOM 365 CB BLYS A 24 8.412 -0.636 27.317 0.65 11.47 C ANISOU 365 CB BLYS A 24 1091 1759 1509 101 -395 31 C ATOM 366 CG ALYS A 24 9.034 -1.701 26.422 0.35 12.69 C ANISOU 366 CG ALYS A 24 1226 1896 1700 150 -375 43 C ATOM 367 CG BLYS A 24 9.030 -1.653 26.378 0.65 10.70 C ANISOU 367 CG BLYS A 24 973 1643 1450 146 -374 42 C ATOM 368 CD ALYS A 24 10.504 -1.884 26.733 0.35 15.69 C ANISOU 368 CD ALYS A 24 1537 2324 2100 191 -402 26 C ATOM 369 CD BLYS A 24 10.422 -2.035 26.796 0.65 14.56 C ANISOU 369 CD BLYS A 24 1403 2178 1953 200 -405 33 C ATOM 370 CE ALYS A 24 11.129 -2.973 25.872 0.35 18.44 C ANISOU 370 CE ALYS A 24 1863 2660 2485 255 -385 33 C ATOM 371 CE BLYS A 24 11.006 -3.087 25.865 0.65 18.33 C ANISOU 371 CE BLYS A 24 1858 2640 2468 260 -385 38 C ATOM 372 NZ ALYS A 24 10.608 -4.325 26.209 0.35 20.69 N ANISOU 372 NZ ALYS A 24 2224 2894 2741 328 -392 88 N ATOM 373 NZ BLYS A 24 12.339 -3.524 26.351 0.65 19.00 N ANISOU 373 NZ BLYS A 24 1895 2765 2561 315 -411 34 N ATOM 0 H ALYS A 24 7.310 0.850 25.483 0.35 8.57 H new ATOM 0 H BLYS A 24 7.310 0.849 25.481 0.65 8.57 H new ATOM 0 HA ALYS A 24 6.458 -1.226 26.993 0.35 10.02 H new ATOM 0 HA BLYS A 24 6.465 -1.222 26.994 0.65 10.02 H new ATOM 0 HB2ALYS A 24 8.902 0.193 27.203 0.35 11.47 H new ATOM 0 HB2BLYS A 24 8.907 0.196 27.261 0.65 11.47 H new ATOM 0 HB3ALYS A 24 8.491 -0.903 28.234 0.35 11.47 H new ATOM 0 HB3BLYS A 24 8.490 -0.952 28.231 0.65 11.47 H new ATOM 0 HG2ALYS A 24 8.568 -2.542 26.548 0.35 10.70 H new ATOM 0 HG2BLYS A 24 8.473 -2.446 26.350 0.65 10.70 H new ATOM 0 HG3ALYS A 24 8.927 -1.455 25.490 0.35 10.70 H new ATOM 0 HG3BLYS A 24 9.052 -1.290 25.479 0.65 10.70 H new ATOM 0 HD2ALYS A 24 10.973 -1.047 26.588 0.35 14.56 H new ATOM 0 HD2BLYS A 24 10.990 -1.249 26.796 0.65 14.56 H new ATOM 0 HD3ALYS A 24 10.611 -2.110 27.670 0.35 14.56 H new ATOM 0 HD3BLYS A 24 10.408 -2.375 27.704 0.65 14.56 H new ATOM 0 HE2ALYS A 24 10.953 -2.784 24.937 0.35 18.33 H new ATOM 0 HE2BLYS A 24 10.408 -3.849 25.813 0.65 18.33 H new ATOM 0 HE3ALYS A 24 12.092 -2.961 25.987 0.35 18.33 H new ATOM 0 HE3BLYS A 24 11.084 -2.726 24.968 0.65 18.33 H new ATOM 0 HZ1ALYS A 24 11.130 -4.945 25.840 0.35 19.00 H new ATOM 0 HZ1BLYS A 24 12.631 -4.199 25.850 0.65 19.00 H new ATOM 0 HZ2ALYS A 24 10.603 -4.430 27.093 0.35 19.00 H new ATOM 0 HZ2BLYS A 24 12.912 -2.845 26.297 0.65 19.00 H new ATOM 0 HZ3ALYS A 24 9.779 -4.411 25.896 0.35 19.00 H new ATOM 0 HZ3BLYS A 24 12.274 -3.790 27.198 0.65 19.00 H new ATOM 400 N GLY A 25 5.340 1.329 27.661 1.00 10.41 N ANISOU 400 N GLY A 25 1092 1614 1251 -53 -438 -80 N ATOM 401 CA GLY A 25 4.693 2.286 28.545 1.00 11.61 C ANISOU 401 CA GLY A 25 1282 1745 1386 -61 -451 -105 C ATOM 402 C GLY A 25 3.736 1.700 29.561 1.00 9.74 C ANISOU 402 C GLY A 25 1089 1482 1131 15 -442 -137 C ATOM 403 O GLY A 25 3.563 0.495 29.647 1.00 10.51 O ANISOU 403 O GLY A 25 1185 1595 1213 73 -418 -140 O ATOM 0 H GLY A 25 5.032 1.336 26.858 1.00 10.41 H new ATOM 0 HA2 GLY A 25 5.381 2.779 29.020 1.00 11.61 H new ATOM 0 HA3 GLY A 25 4.209 2.927 28.001 1.00 11.61 H new ATOM 407 N GLU A 26 3.074 2.608 30.274 1.00 8.93 N ANISOU 407 N GLU A 26 1027 1346 1021 16 -458 -159 N ATOM 408 CA GLU A 26 2.227 2.238 31.386 1.00 10.19 C ANISOU 408 CA GLU A 26 1229 1488 1154 89 -455 -185 C ATOM 409 C GLU A 26 0.781 1.967 31.003 1.00 9.81 C ANISOU 409 C GLU A 26 1205 1408 1113 108 -425 -194 C ATOM 410 O GLU A 26 0.019 1.490 31.825 1.00 11.35 O ANISOU 410 O GLU A 26 1431 1604 1278 171 -413 -207 O ATOM 411 CB GLU A 26 2.264 3.335 32.454 1.00 12.97 C ANISOU 411 CB GLU A 26 1617 1820 1490 95 -491 -204 C ATOM 412 CG GLU A 26 3.637 3.549 33.072 1.00 13.77 C ANISOU 412 CG GLU A 26 1699 1956 1577 81 -527 -195 C ATOM 413 CD GLU A 26 4.170 2.277 33.690 1.00 18.08 C ANISOU 413 CD GLU A 26 2232 2541 2099 141 -516 -191 C ATOM 414 OE1 GLU A 26 3.469 1.645 34.519 1.00 21.56 O ANISOU 414 OE1 GLU A 26 2708 2973 2512 214 -497 -209 O ATOM 415 OE2 GLU A 26 5.298 1.878 33.331 1.00 26.45 O ANISOU 415 OE2 GLU A 26 3244 3644 3163 120 -523 -166 O ATOM 0 H GLU A 26 3.108 3.454 30.121 1.00 8.93 H new ATOM 0 HA GLU A 26 2.586 1.403 31.726 1.00 10.19 H new ATOM 0 HB2 GLU A 26 1.964 4.168 32.059 1.00 12.97 H new ATOM 0 HB3 GLU A 26 1.634 3.111 33.157 1.00 12.97 H new ATOM 0 HG2 GLU A 26 4.254 3.863 32.392 1.00 13.77 H new ATOM 0 HG3 GLU A 26 3.584 4.242 33.749 1.00 13.77 H new ATOM 422 N ARG A 27 0.375 2.255 29.777 1.00 7.99 N ANISOU 422 N ARG A 27 961 1157 917 54 -409 -184 N ATOM 423 CA ARG A 27 -1.008 2.025 29.377 1.00 7.63 C ANISOU 423 CA ARG A 27 934 1084 880 64 -386 -189 C ATOM 424 C ARG A 27 -1.079 1.559 27.928 1.00 6.48 C ANISOU 424 C ARG A 27 763 932 769 15 -360 -169 C ATOM 425 O ARG A 27 -1.821 2.123 27.107 1.00 7.19 O ANISOU 425 O ARG A 27 857 989 885 -25 -345 -164 O ATOM 426 CB ARG A 27 -1.938 3.229 29.669 1.00 9.50 C ANISOU 426 CB ARG A 27 1205 1286 1120 64 -397 -206 C ATOM 427 CG ARG A 27 -1.529 4.532 29.066 1.00 11.22 C ANISOU 427 CG ARG A 27 1420 1482 1360 5 -409 -200 C ATOM 428 CD ARG A 27 -2.563 5.654 29.278 1.00 13.03 C ANISOU 428 CD ARG A 27 1689 1674 1589 19 -420 -217 C ATOM 429 NE ARG A 27 -3.711 5.566 28.369 1.00 10.88 N ANISOU 429 NE ARG A 27 1413 1382 1338 7 -392 -210 N ATOM 430 CZ ARG A 27 -4.671 6.480 28.289 1.00 8.71 C ANISOU 430 CZ ARG A 27 1164 1080 1065 19 -399 -220 C ATOM 431 NH1 ARG A 27 -4.644 7.595 29.030 1.00 10.93 N ANISOU 431 NH1 ARG A 27 1484 1342 1329 45 -433 -238 N ATOM 432 NH2 ARG A 27 -5.652 6.341 27.452 1.00 10.62 N ANISOU 432 NH2 ARG A 27 1398 1311 1327 5 -375 -211 N ATOM 0 H ARG A 27 0.879 2.583 29.162 1.00 7.99 H new ATOM 0 HA ARG A 27 -1.352 1.308 29.933 1.00 7.63 H new ATOM 0 HB2 ARG A 27 -2.829 3.011 29.352 1.00 9.50 H new ATOM 0 HB3 ARG A 27 -1.999 3.343 30.630 1.00 9.50 H new ATOM 0 HG2 ARG A 27 -0.681 4.806 29.449 1.00 11.22 H new ATOM 0 HG3 ARG A 27 -1.385 4.410 28.115 1.00 11.22 H new ATOM 0 HD2 ARG A 27 -2.881 5.623 30.194 1.00 13.03 H new ATOM 0 HD3 ARG A 27 -2.128 6.513 29.157 1.00 13.03 H new ATOM 0 HE ARG A 27 -3.766 4.879 27.855 1.00 10.88 H new ATOM 0 HH11 ARG A 27 -3.993 7.733 29.575 1.00 10.93 H new ATOM 0 HH12 ARG A 27 -5.277 8.173 28.961 1.00 10.93 H new ATOM 0 HH21 ARG A 27 -5.686 5.651 26.940 1.00 10.62 H new ATOM 0 HH22 ARG A 27 -6.268 6.939 27.409 1.00 10.62 H new ATOM 446 N GLN A 28 -0.352 0.485 27.622 1.00 5.99 N ANISOU 446 N GLN A 28 676 902 700 28 -352 -157 N ATOM 447 CA GLN A 28 -0.324 -0.049 26.264 1.00 5.89 C ANISOU 447 CA GLN A 28 644 879 714 -11 -325 -136 C ATOM 448 C GLN A 28 -1.459 -1.029 26.017 1.00 5.94 C ANISOU 448 C GLN A 28 684 856 719 2 -265 -112 C ATOM 449 O GLN A 28 -1.953 -1.697 26.916 1.00 6.50 O ANISOU 449 O GLN A 28 782 929 758 50 -239 -105 O ATOM 450 CB GLN A 28 1.040 -0.690 26.024 1.00 6.08 C ANISOU 450 CB GLN A 28 633 950 726 1 -323 -120 C ATOM 451 CG GLN A 28 2.159 0.306 25.932 1.00 6.49 C ANISOU 451 CG GLN A 28 654 1026 788 -42 -352 -112 C ATOM 452 CD GLN A 28 2.078 1.101 24.653 1.00 5.94 C ANISOU 452 CD GLN A 28 574 941 741 -113 -330 -99 C ATOM 453 OE1 GLN A 28 2.241 0.549 23.559 1.00 6.59 O ANISOU 453 OE1 GLN A 28 637 1030 838 -125 -308 -90 O ATOM 454 NE2 GLN A 28 1.719 2.380 24.756 1.00 6.54 N ANISOU 454 NE2 GLN A 28 668 1000 818 -140 -327 -117 N ATOM 0 H GLN A 28 0.131 0.052 28.187 1.00 5.99 H new ATOM 0 HA GLN A 28 -0.456 0.675 25.632 1.00 5.89 H new ATOM 0 HB2 GLN A 28 1.228 -1.312 26.744 1.00 6.08 H new ATOM 0 HB3 GLN A 28 1.007 -1.206 25.204 1.00 6.08 H new ATOM 0 HG2 GLN A 28 2.123 0.907 26.692 1.00 6.49 H new ATOM 0 HG3 GLN A 28 3.011 -0.156 25.975 1.00 6.49 H new ATOM 0 HE21 GLN A 28 1.613 2.736 25.532 1.00 6.54 H new ATOM 0 HE22 GLN A 28 1.593 2.850 24.047 1.00 6.54 H new ATOM 463 N SER A 29 -1.850 -1.084 24.763 1.00 4.97 N ANISOU 463 N SER A 29 558 701 627 -48 -247 -98 N ATOM 464 CA SER A 29 -2.877 -1.980 24.252 1.00 5.50 C ANISOU 464 CA SER A 29 656 735 698 -56 -199 -70 C ATOM 465 C SER A 29 -2.329 -2.861 23.146 1.00 5.05 C ANISOU 465 C SER A 29 605 669 644 -70 -173 -45 C ATOM 466 O SER A 29 -1.370 -2.487 22.490 1.00 5.76 O ANISOU 466 O SER A 29 664 776 747 -89 -191 -50 O ATOM 467 CB SER A 29 -4.060 -1.159 23.700 1.00 5.64 C ANISOU 467 CB SER A 29 676 717 750 -102 -206 -75 C ATOM 468 OG SER A 29 -4.646 -0.427 24.773 1.00 5.42 O ANISOU 468 OG SER A 29 652 699 709 -72 -225 -96 O ATOM 0 H SER A 29 -1.512 -0.580 24.154 1.00 4.97 H new ATOM 0 HA SER A 29 -3.175 -2.543 24.983 1.00 5.50 H new ATOM 0 HB2 SER A 29 -3.755 -0.553 23.007 1.00 5.64 H new ATOM 0 HB3 SER A 29 -4.717 -1.746 23.295 1.00 5.64 H new ATOM 0 HG SER A 29 -5.370 -0.087 24.518 1.00 5.42 H new ATOM 474 N PRO A 30 -2.975 -4.004 22.890 1.00 4.62 N ANISOU 474 N PRO A 30 594 586 576 -64 -132 -16 N ATOM 475 CA PRO A 30 -4.140 -4.547 23.589 1.00 4.48 C ANISOU 475 CA PRO A 30 610 553 541 -53 -108 2 C ATOM 476 C PRO A 30 -3.718 -5.203 24.892 1.00 5.24 C ANISOU 476 C PRO A 30 722 680 590 13 -100 2 C ATOM 477 O PRO A 30 -2.529 -5.223 25.249 1.00 5.53 O ANISOU 477 O PRO A 30 743 750 608 52 -114 -12 O ATOM 478 CB PRO A 30 -4.627 -5.589 22.603 1.00 5.58 C ANISOU 478 CB PRO A 30 793 647 680 -82 -79 37 C ATOM 479 CG PRO A 30 -3.364 -6.107 22.009 1.00 5.67 C ANISOU 479 CG PRO A 30 812 666 676 -59 -76 38 C ATOM 480 CD PRO A 30 -2.493 -4.909 21.837 1.00 5.39 C ANISOU 480 CD PRO A 30 716 666 667 -68 -109 7 C ATOM 0 HA PRO A 30 -4.806 -3.884 23.829 1.00 4.48 H new ATOM 0 HB2 PRO A 30 -5.131 -6.291 23.043 1.00 5.58 H new ATOM 0 HB3 PRO A 30 -5.208 -5.202 21.930 1.00 5.58 H new ATOM 0 HG2 PRO A 30 -2.947 -6.763 22.589 1.00 5.67 H new ATOM 0 HG3 PRO A 30 -3.530 -6.545 21.159 1.00 5.67 H new ATOM 0 HD2 PRO A 30 -1.555 -5.127 21.951 1.00 5.39 H new ATOM 0 HD3 PRO A 30 -2.588 -4.518 20.954 1.00 5.39 H new ATOM 488 N VAL A 31 -4.697 -5.752 25.596 1.00 4.83 N ANISOU 488 N VAL A 31 699 621 515 25 -76 23 N ATOM 489 CA VAL A 31 -4.503 -6.489 26.840 1.00 5.34 C ANISOU 489 CA VAL A 31 790 709 531 85 -62 30 C ATOM 490 C VAL A 31 -5.397 -7.714 26.836 1.00 6.02 C ANISOU 490 C VAL A 31 930 766 593 72 -26 75 C ATOM 491 O VAL A 31 -6.366 -7.793 26.070 1.00 6.03 O ANISOU 491 O VAL A 31 937 735 617 15 -16 100 O ATOM 492 CB VAL A 31 -4.844 -5.642 28.096 1.00 6.96 C ANISOU 492 CB VAL A 31 972 947 725 118 -77 7 C ATOM 493 CG1 VAL A 31 -3.908 -4.447 28.199 1.00 7.02 C ANISOU 493 CG1 VAL A 31 940 977 750 126 -124 -36 C ATOM 494 CG2 VAL A 31 -6.311 -5.236 28.136 1.00 6.53 C ANISOU 494 CG2 VAL A 31 910 885 684 89 -63 22 C ATOM 0 H VAL A 31 -5.522 -5.705 25.356 1.00 4.83 H new ATOM 0 HA VAL A 31 -3.565 -6.731 26.886 1.00 5.34 H new ATOM 0 HB VAL A 31 -4.703 -6.197 28.879 1.00 6.96 H new ATOM 0 HG11 VAL A 31 -4.132 -3.927 28.987 1.00 7.02 H new ATOM 0 HG12 VAL A 31 -2.992 -4.758 28.267 1.00 7.02 H new ATOM 0 HG13 VAL A 31 -4.003 -3.892 27.409 1.00 7.02 H new ATOM 0 HG21 VAL A 31 -6.480 -4.711 28.934 1.00 6.53 H new ATOM 0 HG22 VAL A 31 -6.522 -4.708 27.350 1.00 6.53 H new ATOM 0 HG23 VAL A 31 -6.867 -6.031 28.149 1.00 6.53 H new ATOM 504 N ASP A 32 -5.043 -8.699 27.657 1.00 5.63 N ANISOU 504 N ASP A 32 922 723 493 121 -11 89 N ATOM 505 CA ASP A 32 -5.958 -9.771 27.960 1.00 6.36 C ANISOU 505 CA ASP A 32 1068 793 554 108 17 134 C ATOM 506 C ASP A 32 -7.030 -9.269 28.915 1.00 6.42 C ANISOU 506 C ASP A 32 1049 832 559 106 28 142 C ATOM 507 O ASP A 32 -6.737 -8.548 29.879 1.00 8.06 O ANISOU 507 O ASP A 32 1226 1079 756 155 16 112 O ATOM 508 CB ASP A 32 -5.229 -10.941 28.592 1.00 7.00 C ANISOU 508 CB ASP A 32 1210 872 578 165 27 145 C ATOM 509 CG ASP A 32 -6.155 -12.104 28.914 1.00 7.77 C ANISOU 509 CG ASP A 32 1375 940 638 142 51 196 C ATOM 510 OD1 ASP A 32 -6.829 -12.569 27.970 1.00 7.58 O ANISOU 510 OD1 ASP A 32 1382 871 626 79 56 229 O ATOM 511 OD2 ASP A 32 -6.186 -12.522 30.089 1.00 9.63 O ANISOU 511 OD2 ASP A 32 1632 1197 830 184 62 205 O ATOM 0 H ASP A 32 -4.277 -8.758 28.044 1.00 5.63 H new ATOM 0 HA ASP A 32 -6.365 -10.071 27.132 1.00 6.36 H new ATOM 0 HB2 ASP A 32 -4.531 -11.245 27.991 1.00 7.00 H new ATOM 0 HB3 ASP A 32 -4.793 -10.644 29.406 1.00 7.00 H new ATOM 516 N ILE A 33 -8.287 -9.591 28.622 1.00 6.00 N ANISOU 516 N ILE A 33 1003 764 513 51 47 185 N ATOM 517 CA ILE A 33 -9.407 -9.260 29.462 1.00 5.98 C ANISOU 517 CA ILE A 33 972 800 500 51 64 206 C ATOM 518 C ILE A 33 -9.726 -10.479 30.301 1.00 7.31 C ANISOU 518 C ILE A 33 1192 971 614 61 90 251 C ATOM 519 O ILE A 33 -10.282 -11.474 29.801 1.00 8.08 O ANISOU 519 O ILE A 33 1335 1034 701 5 101 301 O ATOM 520 CB ILE A 33 -10.599 -8.847 28.624 1.00 6.62 C ANISOU 520 CB ILE A 33 1019 875 621 -19 68 232 C ATOM 521 CG1 ILE A 33 -10.276 -7.611 27.778 1.00 8.22 C ANISOU 521 CG1 ILE A 33 1178 1070 876 -29 39 186 C ATOM 522 CG2 ILE A 33 -11.768 -8.570 29.523 1.00 7.95 C ANISOU 522 CG2 ILE A 33 1152 1097 772 -10 91 260 C ATOM 523 CD1 ILE A 33 -11.288 -7.320 26.682 1.00 7.88 C ANISOU 523 CD1 ILE A 33 1112 1008 874 -101 38 209 C ATOM 0 H ILE A 33 -8.507 -10.019 27.909 1.00 6.00 H new ATOM 0 HA ILE A 33 -9.191 -8.509 30.036 1.00 5.98 H new ATOM 0 HB ILE A 33 -10.820 -9.572 28.018 1.00 6.62 H new ATOM 0 HG12 ILE A 33 -10.217 -6.839 28.362 1.00 8.22 H new ATOM 0 HG13 ILE A 33 -9.402 -7.728 27.374 1.00 8.22 H new ATOM 0 HG21 ILE A 33 -12.532 -8.305 28.988 1.00 7.95 H new ATOM 0 HG22 ILE A 33 -11.987 -9.370 30.025 1.00 7.95 H new ATOM 0 HG23 ILE A 33 -11.541 -7.855 30.138 1.00 7.95 H new ATOM 0 HD11 ILE A 33 -11.017 -6.528 26.193 1.00 7.88 H new ATOM 0 HD12 ILE A 33 -11.333 -8.075 26.075 1.00 7.88 H new ATOM 0 HD13 ILE A 33 -12.161 -7.172 27.078 1.00 7.88 H new ATOM 535 N AASP A 34 -9.314 -10.435 31.555 1.00 7.83 N ANISOU 535 N AASP A 34 1263 1072 641 130 95 234 N ATOM 536 CA AASP A 34 -9.582 -11.500 32.484 1.00 8.96 C ANISOU 536 CA AASP A 34 1455 1222 727 147 119 274 C ATOM 537 C AASP A 34 -10.947 -11.226 33.058 1.00 9.15 C ANISOU 537 C AASP A 34 1440 1293 744 126 146 314 C ATOM 538 O AASP A 34 -11.143 -10.281 33.840 1.00 10.21 O ANISOU 538 O AASP A 34 1528 1477 874 176 150 289 O ATOM 539 CB AASP A 34 -8.528 -11.576 33.574 1.00 11.06 C ANISOU 539 CB AASP A 34 1743 1507 952 233 112 239 C ATOM 540 CG AASP A 34 -8.673 -12.807 34.383 1.00 16.48 C ANISOU 540 CG AASP A 34 2478 2184 1601 236 127 268 C ATOM 541 OD1AASP A 34 -9.575 -12.824 35.207 1.00 15.99 O ANISOU 541 OD1AASP A 34 2399 2155 1522 231 149 295 O ATOM 542 OD2AASP A 34 -7.940 -13.789 34.106 1.00 19.01 O ANISOU 542 OD2AASP A 34 2843 2461 1918 234 115 262 O ATOM 0 H AASP A 34 -8.868 -9.780 31.889 1.00 7.83 H new ATOM 0 HA AASP A 34 -9.557 -12.360 32.037 1.00 8.96 H new ATOM 0 HB2AASP A 34 -7.645 -11.552 33.174 1.00 11.06 H new ATOM 0 HB3AASP A 34 -8.599 -10.799 34.150 1.00 11.06 H new ATOM 547 N THR A 35 -11.901 -12.034 32.632 1.00 8.90 N ANISOU 547 N THR A 35 1423 1245 714 49 159 372 N ATOM 548 CA THR A 35 -13.302 -11.760 32.872 1.00 11.58 C ANISOU 548 CA THR A 35 1709 1630 1060 10 180 411 C ATOM 549 C THR A 35 -13.666 -11.902 34.314 1.00 14.55 C ANISOU 549 C THR A 35 2076 2057 1393 56 203 421 C ATOM 550 O THR A 35 -14.641 -11.298 34.757 1.00 16.26 O ANISOU 550 O THR A 35 2235 2334 1609 65 225 440 O ATOM 551 CB THR A 35 -14.224 -12.657 32.036 1.00 12.62 C ANISOU 551 CB THR A 35 1868 1710 1216 -91 175 442 C ATOM 552 OG1 THR A 35 -14.124 -14.018 32.474 1.00 12.64 O ANISOU 552 OG1 THR A 35 1942 1672 1187 -111 169 451 O ATOM 553 CG2 THR A 35 -13.911 -12.531 30.528 1.00 12.76 C ANISOU 553 CG2 THR A 35 1890 1670 1289 -113 160 426 C ATOM 0 H ATHR A 35 -11.753 -12.759 32.194 1.00 8.90 H new ATOM 0 HA THR A 35 -13.433 -10.838 32.602 1.00 11.58 H new ATOM 0 HB THR A 35 -15.138 -12.360 32.167 1.00 12.62 H new ATOM 0 HG1 THR A 35 -13.660 -14.455 31.927 1.00 12.64 H new ATOM 0 HG21 THR A 35 -14.507 -13.107 30.024 1.00 12.76 H new ATOM 0 HG22 THR A 35 -14.037 -11.611 30.247 1.00 12.76 H new ATOM 0 HG23 THR A 35 -12.992 -12.795 30.365 1.00 12.76 H new ATOM 561 N HIS A 36 -12.919 -12.712 35.051 1.00 11.41 N ANISOU 561 N HIS A 36 1734 1640 963 87 198 409 N ATOM 562 CA HIS A 36 -13.210 -12.897 36.453 1.00 12.74 C ANISOU 562 CA HIS A 36 1899 1851 1090 131 219 418 C ATOM 563 C HIS A 36 -12.643 -11.753 37.297 1.00 16.47 C ANISOU 563 C HIS A 36 2345 2368 1545 239 223 370 C ATOM 564 O HIS A 36 -13.250 -11.436 38.334 1.00 19.72 O ANISOU 564 O HIS A 36 2729 2832 1932 279 245 379 O ATOM 565 CB HIS A 36 -12.803 -14.306 36.911 1.00 12.69 C ANISOU 565 CB HIS A 36 1960 1807 1057 110 209 431 C ATOM 566 CG HIS A 36 -13.751 -15.367 36.424 1.00 13.58 C ANISOU 566 CG HIS A 36 2093 1896 1170 -2 201 486 C ATOM 567 ND1 HIS A 36 -13.426 -16.284 35.444 1.00 18.32 N ANISOU 567 ND1 HIS A 36 2718 2451 1791 -60 165 502 N ATOM 568 CD2 HIS A 36 -15.052 -15.591 36.734 1.00 15.24 C ANISOU 568 CD2 HIS A 36 2295 2127 1369 -57 223 527 C ATOM 569 CE1 HIS A 36 -14.471 -17.058 35.215 1.00 17.63 C ANISOU 569 CE1 HIS A 36 2598 2377 1723 -131 155 555 C ATOM 570 NE2 HIS A 36 -15.469 -16.661 35.981 1.00 22.16 N ANISOU 570 NE2 HIS A 36 3234 2931 2255 -139 206 540 N ATOM 0 H HIS A 36 -12.245 -13.158 34.757 1.00 11.41 H new ATOM 0 HA HIS A 36 -14.169 -12.849 36.592 1.00 12.74 H new ATOM 0 HB2 HIS A 36 -11.910 -14.502 36.588 1.00 12.69 H new ATOM 0 HB3 HIS A 36 -12.766 -14.330 37.880 1.00 12.69 H new ATOM 0 HD2 HIS A 36 -15.565 -15.110 37.342 1.00 15.24 H new ATOM 0 HE1 HIS A 36 -14.499 -17.766 34.613 1.00 17.63 H new ATOM 0 HE2 HIS A 36 -16.253 -17.014 36.005 1.00 22.16 H new ATOM 578 N THR A 37 -11.594 -11.070 36.806 1.00 13.23 N ANISOU 578 N THR A 37 1941 1938 1147 280 197 320 N ATOM 579 CA THR A 37 -10.941 -9.943 37.487 1.00 14.86 C ANISOU 579 CA THR A 37 2133 2177 1338 371 181 263 C ATOM 580 C THR A 37 -11.594 -8.583 37.172 1.00 14.60 C ANISOU 580 C THR A 37 2037 2176 1336 376 175 244 C ATOM 581 O THR A 37 -11.516 -7.663 37.972 1.00 17.19 O ANISOU 581 O THR A 37 2351 2535 1644 447 166 207 O ATOM 582 CB THR A 37 -9.469 -9.837 37.086 1.00 16.15 C ANISOU 582 CB THR A 37 2322 2299 1516 395 140 209 C ATOM 583 OG1 THR A 37 -8.802 -11.071 37.383 1.00 22.36 O ANISOU 583 OG1 THR A 37 3161 3051 2284 397 140 217 O ATOM 584 CG2 THR A 37 -8.778 -8.729 37.868 1.00 18.78 C ANISOU 584 CG2 THR A 37 2639 2656 1841 472 109 147 C ATOM 0 H THR A 37 -11.236 -11.257 36.047 1.00 13.23 H new ATOM 0 HA THR A 37 -11.037 -10.131 38.434 1.00 14.86 H new ATOM 0 HB THR A 37 -9.427 -9.642 36.137 1.00 16.15 H new ATOM 0 HG1 THR A 37 -8.993 -11.641 36.796 1.00 22.36 H new ATOM 0 HG21 THR A 37 -7.847 -8.676 37.601 1.00 18.78 H new ATOM 0 HG22 THR A 37 -9.215 -7.882 37.685 1.00 18.78 H new ATOM 0 HG23 THR A 37 -8.831 -8.921 38.817 1.00 18.78 H new ATOM 592 N ALA A 38 -12.209 -8.446 35.999 1.00 11.94 N ANISOU 592 N ALA A 38 1667 1824 1047 303 175 264 N ATOM 593 CA ALA A 38 -12.897 -7.205 35.635 1.00 11.02 C ANISOU 593 CA ALA A 38 1493 1733 962 306 168 246 C ATOM 594 C ALA A 38 -14.021 -7.034 36.638 1.00 15.25 C ANISOU 594 C ALA A 38 2000 2342 1452 349 208 284 C ATOM 595 O ALA A 38 -14.526 -8.007 37.188 1.00 19.91 O ANISOU 595 O ALA A 38 2602 2959 2003 335 245 342 O ATOM 596 CB ALA A 38 -13.432 -7.281 34.237 1.00 11.39 C ANISOU 596 CB ALA A 38 1514 1752 1062 217 164 271 C ATOM 0 H ALA A 38 -12.240 -9.060 35.398 1.00 11.94 H new ATOM 0 HA ALA A 38 -12.291 -6.448 35.657 1.00 11.02 H new ATOM 0 HB1 ALA A 38 -13.883 -6.451 34.017 1.00 11.39 H new ATOM 0 HB2 ALA A 38 -12.700 -7.425 33.617 1.00 11.39 H new ATOM 0 HB3 ALA A 38 -14.060 -8.017 34.170 1.00 11.39 H new ATOM 602 N LYS A 39 -14.392 -5.814 36.950 1.00 13.11 N ANISOU 602 N LYS A 39 1696 2107 1178 407 202 252 N ATOM 603 CA ALYS A 39 -15.474 -5.587 37.894 0.28 15.84 C ANISOU 603 CA ALYS A 39 2012 2532 1475 462 243 288 C ATOM 604 CA BLYS A 39 -15.499 -5.620 37.873 0.72 14.69 C ANISOU 604 CA BLYS A 39 1865 2387 1329 459 244 291 C ATOM 605 C LYS A 39 -16.625 -4.818 37.253 1.00 9.97 C ANISOU 605 C LYS A 39 1203 1828 756 447 253 308 C ATOM 606 O LYS A 39 -16.401 -3.813 36.555 1.00 9.95 O ANISOU 606 O LYS A 39 1193 1795 793 450 215 258 O ATOM 607 CB ALYS A 39 -14.937 -4.820 39.098 0.28 17.45 C ANISOU 607 CB ALYS A 39 2247 2752 1630 575 229 234 C ATOM 608 CB BLYS A 39 -15.027 -4.933 39.142 0.72 16.26 C ANISOU 608 CB BLYS A 39 2095 2607 1476 572 235 243 C ATOM 609 CG ALYS A 39 -15.917 -4.668 40.238 0.28 19.49 C ANISOU 609 CG ALYS A 39 2481 3075 1851 638 263 263 C ATOM 610 CG BLYS A 39 -16.022 -5.003 40.281 0.72 16.24 C ANISOU 610 CG BLYS A 39 2067 2665 1440 622 272 279 C ATOM 611 CD ALYS A 39 -15.325 -3.797 41.324 0.28 18.89 C ANISOU 611 CD ALYS A 39 2444 2989 1743 742 231 202 C ATOM 612 CD BLYS A 39 -15.535 -4.159 41.425 0.72 15.33 C ANISOU 612 CD BLYS A 39 1986 2548 1290 729 246 224 C ATOM 613 CE ALYS A 39 -16.338 -3.505 42.408 0.28 19.08 C ANISOU 613 CE ALYS A 39 2444 3072 1733 811 258 231 C ATOM 614 CE BLYS A 39 -16.556 -4.112 42.535 0.72 19.48 C ANISOU 614 CE BLYS A 39 2486 3134 1783 786 279 261 C ATOM 615 NZ ALYS A 39 -16.764 -4.745 43.112 0.28 21.50 N ANISOU 615 NZ ALYS A 39 2741 3403 2025 784 300 290 N ATOM 616 NZ BLYS A 39 -16.154 -3.224 43.647 0.72 19.17 N ANISOU 616 NZ BLYS A 39 2488 3087 1710 893 248 212 N ATOM 0 H ALYS A 39 -14.035 -5.100 36.630 0.28 13.11 H new ATOM 0 H BLYS A 39 -14.030 -5.094 36.650 0.72 13.11 H new ATOM 0 HA ALYS A 39 -15.820 -6.448 38.177 0.28 14.69 H new ATOM 0 HA BLYS A 39 -15.841 -6.502 38.089 0.72 14.69 H new ATOM 0 HB2ALYS A 39 -14.145 -5.272 39.427 0.28 16.26 H new ATOM 0 HB2BLYS A 39 -14.193 -5.337 39.427 0.72 16.26 H new ATOM 0 HB3ALYS A 39 -14.659 -3.938 38.806 0.28 16.26 H new ATOM 0 HB3BLYS A 39 -14.839 -4.002 38.945 0.72 16.26 H new ATOM 0 HG2ALYS A 39 -16.742 -4.275 39.913 0.28 16.24 H new ATOM 0 HG2BLYS A 39 -16.891 -4.691 39.984 0.72 16.24 H new ATOM 0 HG3ALYS A 39 -16.141 -5.540 40.599 0.28 16.24 H new ATOM 0 HG3BLYS A 39 -16.134 -5.922 40.569 0.72 16.24 H new ATOM 0 HD2ALYS A 39 -14.553 -4.239 41.711 0.28 15.33 H new ATOM 0 HD2BLYS A 39 -14.700 -4.518 41.764 0.72 15.33 H new ATOM 0 HD3ALYS A 39 -15.012 -2.964 40.938 0.28 15.33 H new ATOM 0 HD3BLYS A 39 -15.351 -3.260 41.112 0.72 15.33 H new ATOM 0 HE2ALYS A 39 -15.957 -2.884 43.048 0.28 19.48 H new ATOM 0 HE2BLYS A 39 -17.405 -3.809 42.176 0.72 19.48 H new ATOM 0 HE3ALYS A 39 -17.113 -3.071 42.018 0.28 19.48 H new ATOM 0 HE3BLYS A 39 -16.697 -5.009 42.877 0.72 19.48 H new ATOM 0 HZ1ALYS A 39 -17.255 -4.530 43.822 0.28 19.17 H new ATOM 0 HZ1BLYS A 39 -16.831 -3.138 44.218 0.72 19.17 H new ATOM 0 HZ2ALYS A 39 -17.247 -5.249 42.560 0.28 19.17 H new ATOM 0 HZ2BLYS A 39 -15.453 -3.575 44.069 0.72 19.17 H new ATOM 0 HZ3ALYS A 39 -16.045 -5.199 43.375 0.28 19.17 H new ATOM 0 HZ3BLYS A 39 -15.935 -2.424 43.324 0.72 19.17 H new ATOM 643 N TYR A 40 -17.841 -5.277 37.499 1.00 13.03 N ANISOU 643 N TYR A 40 1545 2285 1122 429 301 382 N ATOM 644 CA TYR A 40 -19.001 -4.555 37.094 1.00 13.47 C ANISOU 644 CA TYR A 40 1532 2395 1190 431 314 405 C ATOM 645 C TYR A 40 -18.967 -3.176 37.744 1.00 13.17 C ANISOU 645 C TYR A 40 1499 2388 1117 554 303 347 C ATOM 646 O TYR A 40 -18.750 -3.054 38.958 1.00 13.39 O ANISOU 646 O TYR A 40 1556 2425 1105 634 303 327 O ATOM 647 CB TYR A 40 -20.262 -5.314 37.542 1.00 15.41 C ANISOU 647 CB TYR A 40 1727 2693 1436 394 345 478 C ATOM 648 CG TYR A 40 -21.521 -4.527 37.390 1.00 20.07 C ANISOU 648 CG TYR A 40 2242 3354 2028 421 357 504 C ATOM 649 CD1 TYR A 40 -21.924 -4.063 36.154 1.00 18.31 C ANISOU 649 CD1 TYR A 40 1981 3128 1848 371 343 509 C ATOM 650 CD2 TYR A 40 -22.337 -4.259 38.484 1.00 22.13 C ANISOU 650 CD2 TYR A 40 2471 3688 2248 498 380 526 C ATOM 651 CE1 TYR A 40 -23.074 -3.334 36.004 1.00 20.08 C ANISOU 651 CE1 TYR A 40 2139 3418 2072 401 350 532 C ATOM 652 CE2 TYR A 40 -23.499 -3.532 38.339 1.00 22.56 C ANISOU 652 CE2 TYR A 40 2460 3812 2300 531 387 552 C ATOM 653 CZ TYR A 40 -23.867 -3.082 37.099 1.00 21.97 C ANISOU 653 CZ TYR A 40 2350 3732 2266 483 372 554 C ATOM 654 OH TYR A 40 -25.031 -2.359 36.951 1.00 27.47 O ANISOU 654 OH TYR A 40 2984 4498 2955 520 376 580 O ATOM 0 H TYR A 40 -18.004 -6.017 37.906 1.00 13.03 H new ATOM 0 HA TYR A 40 -19.017 -4.463 36.129 1.00 13.47 H new ATOM 0 HB2 TYR A 40 -20.337 -6.132 37.027 1.00 15.41 H new ATOM 0 HB3 TYR A 40 -20.161 -5.572 38.472 1.00 15.41 H new ATOM 0 HD1 TYR A 40 -21.403 -4.249 35.406 1.00 18.31 H new ATOM 0 HD2 TYR A 40 -22.095 -4.575 39.325 1.00 22.13 H new ATOM 0 HE1 TYR A 40 -23.317 -3.011 35.166 1.00 20.08 H new ATOM 0 HE2 TYR A 40 -24.031 -3.348 39.080 1.00 22.56 H new ATOM 0 HH TYR A 40 -25.118 -2.129 36.148 1.00 27.47 H new ATOM 664 N ASP A 41 -19.205 -2.151 36.953 1.00 11.05 N ANISOU 664 N ASP A 41 1209 2107 884 559 275 314 N ATOM 665 CA ASP A 41 -19.235 -0.774 37.417 1.00 12.73 C ANISOU 665 CA ASP A 41 1437 2332 1067 670 253 256 C ATOM 666 C ASP A 41 -20.617 -0.215 37.161 1.00 13.22 C ANISOU 666 C ASP A 41 1429 2474 1119 698 282 295 C ATOM 667 O ASP A 41 -20.946 0.161 36.040 1.00 14.48 O ANISOU 667 O ASP A 41 1559 2613 1331 644 261 294 O ATOM 668 CB ASP A 41 -18.182 0.057 36.693 1.00 16.10 C ANISOU 668 CB ASP A 41 1913 2665 1541 654 182 174 C ATOM 669 CG ASP A 41 -18.059 1.463 37.237 1.00 19.12 C ANISOU 669 CG ASP A 41 2336 3043 1886 764 145 109 C ATOM 670 OD1 ASP A 41 -18.938 1.881 38.012 1.00 20.33 O ANISOU 670 OD1 ASP A 41 2475 3270 1981 858 177 127 O ATOM 671 OD2 ASP A 41 -17.086 2.132 36.834 1.00 21.39 O ANISOU 671 OD2 ASP A 41 2672 3253 2202 752 82 44 O ATOM 0 H ASP A 41 -19.358 -2.234 36.111 1.00 11.05 H new ATOM 0 HA ASP A 41 -19.036 -0.742 38.366 1.00 12.73 H new ATOM 0 HB2 ASP A 41 -17.323 -0.387 36.763 1.00 16.10 H new ATOM 0 HB3 ASP A 41 -18.403 0.099 35.750 1.00 16.10 H new ATOM 676 N PRO A 42 -21.452 -0.141 38.207 1.00 17.44 N ANISOU 676 N PRO A 42 1947 3068 1612 762 300 329 N ATOM 677 CA PRO A 42 -22.830 0.337 38.014 1.00 22.25 C ANISOU 677 CA PRO A 42 2491 3748 2216 782 315 374 C ATOM 678 C PRO A 42 -22.905 1.797 37.604 1.00 22.68 C ANISOU 678 C PRO A 42 2570 3786 2262 850 278 314 C ATOM 679 O PRO A 42 -23.980 2.246 37.183 1.00 25.49 O ANISOU 679 O PRO A 42 2875 4191 2617 857 286 345 O ATOM 680 CB PRO A 42 -23.465 0.153 39.397 1.00 24.37 C ANISOU 680 CB PRO A 42 2753 4078 2428 854 339 412 C ATOM 681 CG PRO A 42 -22.335 0.190 40.340 1.00 23.01 C ANISOU 681 CG PRO A 42 2662 3854 2227 910 319 358 C ATOM 682 CD PRO A 42 -21.175 -0.471 39.611 1.00 16.46 C ANISOU 682 CD PRO A 42 1862 2951 1442 824 307 330 C ATOM 0 HA PRO A 42 -23.273 -0.147 37.299 1.00 22.25 H new ATOM 0 HB2 PRO A 42 -24.105 0.857 39.587 1.00 24.37 H new ATOM 0 HB3 PRO A 42 -23.944 -0.688 39.455 1.00 24.37 H new ATOM 0 HG2 PRO A 42 -22.117 1.102 40.588 1.00 23.01 H new ATOM 0 HG3 PRO A 42 -22.548 -0.284 41.159 1.00 23.01 H new ATOM 0 HD2 PRO A 42 -20.319 -0.120 39.902 1.00 16.46 H new ATOM 0 HD3 PRO A 42 -21.154 -1.429 39.759 1.00 16.46 H new ATOM 690 N SER A 43 -21.814 2.535 37.743 1.00 19.94 N ANISOU 690 N SER A 43 2303 3366 1907 896 232 231 N ATOM 691 CA SER A 43 -21.805 3.935 37.325 1.00 25.86 C ANISOU 691 CA SER A 43 3094 4079 2653 946 183 168 C ATOM 692 C SER A 43 -21.615 4.111 35.813 1.00 24.94 C ANISOU 692 C SER A 43 2948 3918 2612 872 162 147 C ATOM 693 O SER A 43 -21.806 5.204 35.298 1.00 26.86 O ANISOU 693 O SER A 43 3214 4132 2861 898 123 107 O ATOM 694 CB SER A 43 -20.733 4.729 38.082 1.00 24.81 C ANISOU 694 CB SER A 43 3067 3876 2485 1010 125 90 C ATOM 695 OG SER A 43 -19.430 4.471 37.619 1.00 27.86 O ANISOU 695 OG SER A 43 3485 4183 2917 956 91 42 O ATOM 0 H SER A 43 -21.073 2.251 38.074 1.00 19.94 H new ATOM 0 HA SER A 43 -22.682 4.285 37.546 1.00 25.86 H new ATOM 0 HB2 SER A 43 -20.919 5.677 37.997 1.00 24.81 H new ATOM 0 HB3 SER A 43 -20.784 4.513 39.026 1.00 24.81 H new ATOM 0 HG SER A 43 -19.258 3.654 37.707 1.00 27.86 H new ATOM 701 N LEU A 44 -21.230 3.050 35.107 1.00 19.72 N ANISOU 701 N LEU A 44 2253 3232 2009 760 174 177 N ATOM 702 CA LEU A 44 -21.077 3.121 33.647 1.00 19.09 C ANISOU 702 CA LEU A 44 2160 3087 2007 655 139 168 C ATOM 703 C LEU A 44 -22.436 3.272 32.990 1.00 24.10 C ANISOU 703 C LEU A 44 2714 3790 2653 643 166 222 C ATOM 704 O LEU A 44 -23.420 2.686 33.425 1.00 28.10 O ANISOU 704 O LEU A 44 3153 4394 3129 654 223 295 O ATOM 705 CB LEU A 44 -20.401 1.880 33.088 1.00 16.70 C ANISOU 705 CB LEU A 44 1856 2733 1755 531 142 194 C ATOM 706 CG LEU A 44 -18.904 1.771 33.330 1.00 12.29 C ANISOU 706 CG LEU A 44 1370 2094 1204 520 103 136 C ATOM 707 CD1 LEU A 44 -18.453 0.418 32.897 1.00 13.68 C ANISOU 707 CD1 LEU A 44 1543 2241 1415 418 118 174 C ATOM 708 CD2 LEU A 44 -18.128 2.843 32.570 1.00 15.05 C ANISOU 708 CD2 LEU A 44 1764 2362 1591 509 35 63 C ATOM 0 H LEU A 44 -21.052 2.281 35.449 1.00 19.72 H new ATOM 0 HA LEU A 44 -20.519 3.890 33.454 1.00 19.09 H new ATOM 0 HB2 LEU A 44 -20.830 1.099 33.471 1.00 16.70 H new ATOM 0 HB3 LEU A 44 -20.559 1.850 32.131 1.00 16.70 H new ATOM 0 HG LEU A 44 -18.731 1.904 34.275 1.00 12.29 H new ATOM 0 HD11 LEU A 44 -17.498 0.332 33.045 1.00 13.68 H new ATOM 0 HD12 LEU A 44 -18.921 -0.259 33.410 1.00 13.68 H new ATOM 0 HD13 LEU A 44 -18.645 0.299 31.954 1.00 13.68 H new ATOM 0 HD21 LEU A 44 -17.180 2.743 32.747 1.00 15.05 H new ATOM 0 HD22 LEU A 44 -18.290 2.747 31.619 1.00 15.05 H new ATOM 0 HD23 LEU A 44 -18.420 3.721 32.860 1.00 15.05 H new ATOM 720 N LYS A 45 -22.485 4.070 31.938 1.00 21.30 N ANISOU 720 N LYS A 45 2366 3387 2341 618 123 188 N ATOM 721 CA LYS A 45 -23.727 4.293 31.216 1.00 23.37 C ANISOU 721 CA LYS A 45 2554 3709 2617 607 140 234 C ATOM 722 C LYS A 45 -23.794 3.378 29.987 1.00 16.24 C ANISOU 722 C LYS A 45 1611 2770 1787 457 139 278 C ATOM 723 O LYS A 45 -22.777 2.831 29.533 1.00 18.07 O ANISOU 723 O LYS A 45 1888 2917 2061 374 114 256 O ATOM 724 CB LYS A 45 -23.853 5.776 30.853 1.00 23.97 C ANISOU 724 CB LYS A 45 2667 3756 2686 683 93 171 C ATOM 725 CG LYS A 45 -23.622 6.719 32.038 1.00 26.51 C ANISOU 725 CG LYS A 45 3065 4077 2930 814 79 116 C ATOM 726 CD LYS A 45 -23.617 8.190 31.638 1.00 30.19 C ANISOU 726 CD LYS A 45 3600 4486 3386 865 21 48 C ATOM 727 CE LYS A 45 -23.354 9.111 32.841 1.00 32.89 C ANISOU 727 CE LYS A 45 4040 4813 3644 969 0 -5 C ATOM 728 NZ LYS A 45 -23.335 10.567 32.451 1.00 38.44 N ANISOU 728 NZ LYS A 45 4821 5455 4329 1012 -61 -70 N ATOM 0 H LYS A 45 -21.807 4.495 31.623 1.00 21.30 H new ATOM 0 HA LYS A 45 -24.484 4.066 31.779 1.00 23.37 H new ATOM 0 HB2 LYS A 45 -23.214 5.985 30.153 1.00 23.97 H new ATOM 0 HB3 LYS A 45 -24.737 5.938 30.488 1.00 23.97 H new ATOM 0 HG2 LYS A 45 -24.314 6.572 32.701 1.00 26.51 H new ATOM 0 HG3 LYS A 45 -22.775 6.501 32.458 1.00 26.51 H new ATOM 0 HD2 LYS A 45 -22.937 8.339 30.963 1.00 30.19 H new ATOM 0 HD3 LYS A 45 -24.470 8.418 31.237 1.00 30.19 H new ATOM 0 HE2 LYS A 45 -24.039 8.967 33.512 1.00 32.89 H new ATOM 0 HE3 LYS A 45 -22.505 8.876 33.247 1.00 32.89 H new ATOM 0 HZ1 LYS A 45 -23.181 11.066 33.172 1.00 38.44 H new ATOM 0 HZ2 LYS A 45 -22.692 10.706 31.852 1.00 38.44 H new ATOM 0 HZ3 LYS A 45 -24.121 10.791 32.099 1.00 38.44 H new ATOM 742 N PRO A 46 -25.018 3.157 29.468 1.00 18.32 N ANISOU 742 N PRO A 46 1792 3107 2062 424 165 346 N ATOM 743 CA PRO A 46 -25.095 2.463 28.185 1.00 17.03 C ANISOU 743 CA PRO A 46 1606 2897 1967 286 150 380 C ATOM 744 C PRO A 46 -24.321 3.234 27.137 1.00 11.75 C ANISOU 744 C PRO A 46 997 2118 1348 256 90 306 C ATOM 745 O PRO A 46 -24.282 4.430 27.212 1.00 14.91 O ANISOU 745 O PRO A 46 1425 2507 1731 339 62 250 O ATOM 746 CB PRO A 46 -26.603 2.477 27.864 1.00 20.95 C ANISOU 746 CB PRO A 46 2010 3491 2457 279 176 452 C ATOM 747 CG PRO A 46 -27.192 3.551 28.758 1.00 26.22 C ANISOU 747 CG PRO A 46 2682 4223 3058 422 187 428 C ATOM 748 CD PRO A 46 -26.341 3.556 29.979 1.00 19.96 C ANISOU 748 CD PRO A 46 1939 3426 2217 503 200 390 C ATOM 0 HA PRO A 46 -24.722 1.568 28.205 1.00 17.03 H new ATOM 0 HB2 PRO A 46 -26.760 2.676 26.928 1.00 20.95 H new ATOM 0 HB3 PRO A 46 -27.007 1.613 28.042 1.00 20.95 H new ATOM 0 HG2 PRO A 46 -27.180 4.416 28.320 1.00 26.22 H new ATOM 0 HG3 PRO A 46 -28.117 3.356 28.977 1.00 26.22 H new ATOM 0 HD2 PRO A 46 -26.315 4.432 30.395 1.00 19.96 H new ATOM 0 HD3 PRO A 46 -26.669 2.935 30.647 1.00 19.96 H new ATOM 756 N LEU A 47 -23.755 2.530 26.193 1.00 16.20 N ANISOU 756 N LEU A 47 1582 2605 1967 140 70 310 N ATOM 757 CA ALEU A 47 -23.104 3.198 25.086 0.61 14.42 C ANISOU 757 CA ALEU A 47 1403 2284 1791 101 17 252 C ATOM 758 CA BLEU A 47 -23.109 3.166 25.080 0.39 15.08 C ANISOU 758 CA BLEU A 47 1487 2368 1876 99 17 253 C ATOM 759 C LEU A 47 -24.188 3.864 24.254 1.00 13.45 C ANISOU 759 C LEU A 47 1233 2191 1687 100 5 269 C ATOM 760 O LEU A 47 -25.291 3.336 24.135 1.00 13.41 O ANISOU 760 O LEU A 47 1154 2260 1680 71 35 342 O ATOM 761 CB ALEU A 47 -22.372 2.200 24.199 0.61 18.90 C ANISOU 761 CB ALEU A 47 2000 2774 2409 -19 5 263 C ATOM 762 CB BLEU A 47 -22.455 2.074 24.256 0.39 19.57 C ANISOU 762 CB BLEU A 47 2079 2866 2491 -22 10 272 C ATOM 763 CG ALEU A 47 -21.080 1.594 24.696 0.61 13.83 C ANISOU 763 CG ALEU A 47 1415 2081 1759 -27 4 235 C ATOM 764 CG BLEU A 47 -21.105 2.348 23.639 0.39 17.11 C ANISOU 764 CG BLEU A 47 1838 2451 2214 -53 -32 206 C ATOM 765 CD1ALEU A 47 -20.636 0.519 23.766 0.61 20.89 C ANISOU 765 CD1ALEU A 47 2330 2913 2693 -137 0 261 C ATOM 766 CD1BLEU A 47 -20.198 3.065 24.632 0.39 16.85 C ANISOU 766 CD1BLEU A 47 1851 2407 2145 34 -48 142 C ATOM 767 CD2ALEU A 47 -20.055 2.714 24.794 0.61 19.17 C ANISOU 767 CD2ALEU A 47 2147 2702 2435 27 -39 151 C ATOM 768 CD2BLEU A 47 -20.516 1.018 23.199 0.39 18.62 C ANISOU 768 CD2BLEU A 47 2052 2596 2428 -146 -23 236 C ATOM 0 H ALEU A 47 -23.732 1.671 26.167 0.61 16.20 H new ATOM 0 H BLEU A 47 -23.733 1.670 26.177 0.39 16.20 H new ATOM 0 HA ALEU A 47 -22.461 3.838 25.430 0.61 15.08 H new ATOM 0 HA BLEU A 47 -22.444 3.813 25.363 0.39 15.08 H new ATOM 0 HB2ALEU A 47 -22.984 1.472 24.009 0.61 19.57 H new ATOM 0 HB2BLEU A 47 -22.368 1.290 24.821 0.39 19.57 H new ATOM 0 HB3ALEU A 47 -22.184 2.640 23.355 0.61 19.57 H new ATOM 0 HB3BLEU A 47 -23.065 1.840 23.539 0.39 19.57 H new ATOM 0 HG ALEU A 47 -21.195 1.186 25.569 0.61 17.11 H new ATOM 0 HG BLEU A 47 -21.193 2.933 22.870 0.39 17.11 H new ATOM 0 HD11ALEU A 47 -19.807 0.133 24.089 0.61 16.85 H new ATOM 0 HD11BLEU A 47 -19.336 3.233 24.220 0.39 16.85 H new ATOM 0 HD12ALEU A 47 -21.316 -0.171 23.720 0.61 16.85 H new ATOM 0 HD12BLEU A 47 -20.603 3.908 24.890 0.39 16.85 H new ATOM 0 HD13ALEU A 47 -20.495 0.893 22.882 0.61 16.85 H new ATOM 0 HD13BLEU A 47 -20.077 2.511 25.419 0.39 16.85 H new ATOM 0 HD21ALEU A 47 -19.212 2.354 25.112 0.61 18.62 H new ATOM 0 HD21BLEU A 47 -19.645 1.166 22.798 0.39 18.62 H new ATOM 0 HD22ALEU A 47 -19.927 3.113 23.919 0.61 18.62 H new ATOM 0 HD22BLEU A 47 -20.422 0.435 23.969 0.39 18.62 H new ATOM 0 HD23ALEU A 47 -20.372 3.390 25.414 0.61 18.62 H new ATOM 0 HD23BLEU A 47 -21.104 0.602 22.549 0.39 18.62 H new ATOM 791 N SER A 48 -23.877 5.018 23.675 1.00 10.06 N ANISOU 791 N SER A 48 846 1704 1273 128 -42 205 N ATOM 792 CA SER A 48 -24.730 5.651 22.669 1.00 10.53 C ANISOU 792 CA SER A 48 875 1768 1358 115 -63 213 C ATOM 793 C SER A 48 -23.940 5.658 21.362 1.00 8.86 C ANISOU 793 C SER A 48 712 1445 1208 15 -107 180 C ATOM 794 O SER A 48 -22.980 6.405 21.206 1.00 10.35 O ANISOU 794 O SER A 48 969 1560 1404 30 -147 112 O ATOM 795 CB SER A 48 -25.091 7.070 23.084 1.00 11.90 C ANISOU 795 CB SER A 48 1067 1967 1489 241 -84 165 C ATOM 796 OG SER A 48 -25.736 7.774 22.049 1.00 14.93 O ANISOU 796 OG SER A 48 1437 2337 1897 231 -113 160 O ATOM 0 H SER A 48 -23.162 5.460 23.854 1.00 10.06 H new ATOM 0 HA SER A 48 -25.563 5.164 22.568 1.00 10.53 H new ATOM 0 HB2 SER A 48 -25.668 7.041 23.863 1.00 11.90 H new ATOM 0 HB3 SER A 48 -24.286 7.545 23.344 1.00 11.90 H new ATOM 0 HG SER A 48 -25.161 8.130 21.551 1.00 14.93 H new ATOM 802 N VAL A 49 -24.358 4.805 20.432 1.00 9.81 N ANISOU 802 N VAL A 49 799 1557 1370 -88 -101 232 N ATOM 803 CA VAL A 49 -23.727 4.695 19.125 1.00 11.21 C ANISOU 803 CA VAL A 49 1019 1636 1602 -182 -137 211 C ATOM 804 C VAL A 49 -24.706 5.296 18.112 1.00 12.04 C ANISOU 804 C VAL A 49 1112 1739 1724 -191 -153 215 C ATOM 805 O VAL A 49 -25.771 4.741 17.853 1.00 11.67 O ANISOU 805 O VAL A 49 1041 1728 1666 -210 -127 262 O ATOM 806 CB VAL A 49 -23.406 3.224 18.774 1.00 11.67 C ANISOU 806 CB VAL A 49 1137 1642 1656 -247 -104 228 C ATOM 807 CG1 VAL A 49 -22.641 3.124 17.453 1.00 14.04 C ANISOU 807 CG1 VAL A 49 1533 1840 1962 -266 -111 168 C ATOM 808 CG2 VAL A 49 -22.625 2.561 19.878 1.00 14.03 C ANISOU 808 CG2 VAL A 49 1430 1961 1938 -240 -86 240 C ATOM 0 H VAL A 49 -25.022 4.270 20.545 1.00 9.81 H new ATOM 0 HA VAL A 49 -22.880 5.168 19.116 1.00 11.21 H new ATOM 0 HB VAL A 49 -24.251 2.759 18.673 1.00 11.67 H new ATOM 0 HG11 VAL A 49 -22.453 2.193 17.257 1.00 14.04 H new ATOM 0 HG12 VAL A 49 -23.177 3.502 16.739 1.00 14.04 H new ATOM 0 HG13 VAL A 49 -21.807 3.614 17.524 1.00 14.04 H new ATOM 0 HG21 VAL A 49 -22.437 1.641 19.634 1.00 14.03 H new ATOM 0 HG22 VAL A 49 -21.791 3.036 20.015 1.00 14.03 H new ATOM 0 HG23 VAL A 49 -23.144 2.578 20.697 1.00 14.03 H new ATOM 818 N SER A 50 -24.393 6.473 17.605 1.00 10.02 N ANISOU 818 N SER A 50 882 1438 1486 -168 -203 162 N ATOM 819 CA SER A 50 -25.287 7.170 16.687 1.00 10.68 C ANISOU 819 CA SER A 50 956 1520 1581 -165 -222 161 C ATOM 820 C SER A 50 -24.653 7.198 15.321 1.00 9.21 C ANISOU 820 C SER A 50 871 1224 1403 -217 -219 115 C ATOM 821 O SER A 50 -23.849 8.054 15.036 1.00 10.35 O ANISOU 821 O SER A 50 1072 1312 1548 -203 -246 62 O ATOM 822 CB SER A 50 -25.585 8.606 17.143 1.00 13.23 C ANISOU 822 CB SER A 50 1286 1869 1870 -50 -252 117 C ATOM 823 OG SER A 50 -26.463 9.226 16.209 1.00 18.45 O ANISOU 823 OG SER A 50 1927 2533 2548 -51 -278 124 O ATOM 0 H SER A 50 -23.663 6.893 17.778 1.00 10.02 H new ATOM 0 HA SER A 50 -26.131 6.692 16.668 1.00 10.68 H new ATOM 0 HB2 SER A 50 -25.988 8.599 18.025 1.00 13.23 H new ATOM 0 HB3 SER A 50 -24.760 9.112 17.212 1.00 13.23 H new ATOM 0 HG SER A 50 -27.180 8.791 16.167 1.00 18.45 H new ATOM 829 N TYR A 51 -25.015 6.226 14.494 1.00 9.04 N ANISOU 829 N TYR A 51 973 1150 1313 81 -166 -59 N ATOM 830 CA TYR A 51 -24.401 6.030 13.187 1.00 9.25 C ANISOU 830 CA TYR A 51 1014 1179 1320 77 -187 -32 C ATOM 831 C TYR A 51 -25.361 6.227 12.002 1.00 9.05 C ANISOU 831 C TYR A 51 967 1174 1298 99 -217 -28 C ATOM 832 O TYR A 51 -24.948 6.081 10.862 1.00 10.66 O ANISOU 832 O TYR A 51 1183 1386 1481 97 -235 -7 O ATOM 833 CB TYR A 51 -23.811 4.625 13.089 1.00 10.42 C ANISOU 833 CB TYR A 51 1170 1343 1445 45 -174 -34 C ATOM 834 CG TYR A 51 -22.513 4.353 13.832 1.00 8.46 C ANISOU 834 CG TYR A 51 951 1078 1185 25 -153 -28 C ATOM 835 CD1 TYR A 51 -21.754 5.366 14.429 1.00 8.08 C ANISOU 835 CD1 TYR A 51 924 1004 1144 32 -150 -19 C ATOM 836 CD2 TYR A 51 -22.017 3.074 13.879 1.00 7.85 C ANISOU 836 CD2 TYR A 51 881 1011 1092 0 -141 -31 C ATOM 837 CE1 TYR A 51 -20.549 5.070 15.078 1.00 8.08 C ANISOU 837 CE1 TYR A 51 946 991 1131 13 -135 -16 C ATOM 838 CE2 TYR A 51 -20.821 2.767 14.529 1.00 7.20 C ANISOU 838 CE2 TYR A 51 822 915 998 -15 -126 -26 C ATOM 839 CZ TYR A 51 -20.097 3.768 15.116 1.00 7.62 C ANISOU 839 CZ TYR A 51 892 947 1056 -8 -124 -18 C ATOM 840 OH TYR A 51 -18.907 3.445 15.724 1.00 7.90 O ANISOU 840 OH TYR A 51 948 973 1080 -22 -113 -14 O ATOM 0 H TYR A 51 -25.631 5.655 14.678 1.00 9.04 H new ATOM 0 HA TYR A 51 -23.716 6.713 13.122 1.00 9.25 H new ATOM 0 HB2 TYR A 51 -24.477 3.998 13.412 1.00 10.42 H new ATOM 0 HB3 TYR A 51 -23.666 4.427 12.151 1.00 10.42 H new ATOM 0 HD1 TYR A 51 -22.053 6.246 14.394 1.00 8.08 H new ATOM 0 HD2 TYR A 51 -22.493 2.391 13.465 1.00 7.85 H new ATOM 0 HE1 TYR A 51 -20.056 5.748 15.481 1.00 8.08 H new ATOM 0 HE2 TYR A 51 -20.518 1.888 14.563 1.00 7.20 H new ATOM 0 HH TYR A 51 -18.634 4.101 16.172 1.00 7.90 H new ATOM 850 N ASP A 52 -26.629 6.539 12.234 1.00 10.38 N ANISOU 850 N ASP A 52 1102 1354 1490 120 -223 -48 N ATOM 851 CA AASP A 52 -27.549 6.550 11.098 0.62 9.49 C ANISOU 851 CA AASP A 52 963 1265 1376 139 -255 -46 C ATOM 852 CA BASP A 52 -27.622 6.678 11.172 0.38 11.01 C ANISOU 852 CA BASP A 52 1155 1456 1573 143 -255 -47 C ATOM 853 C ASP A 52 -27.168 7.623 10.051 1.00 10.59 C ANISOU 853 C ASP A 52 1126 1388 1509 166 -286 -10 C ATOM 854 O ASP A 52 -27.446 7.423 8.866 1.00 11.83 O ANISOU 854 O ASP A 52 1278 1568 1649 173 -314 2 O ATOM 855 CB AASP A 52 -28.990 6.704 11.556 0.62 13.06 C ANISOU 855 CB AASP A 52 1369 1735 1858 158 -256 -76 C ATOM 856 CB BASP A 52 -28.929 7.193 11.786 0.38 12.23 C ANISOU 856 CB BASP A 52 1269 1618 1761 169 -255 -74 C ATOM 857 CG AASP A 52 -29.299 8.089 11.961 0.62 13.63 C ANISOU 857 CG AASP A 52 1440 1782 1957 196 -263 -75 C ATOM 858 CG BASP A 52 -30.006 7.401 10.759 0.38 15.00 C ANISOU 858 CG BASP A 52 1588 1994 2119 197 -292 -75 C ATOM 859 OD1AASP A 52 -28.744 8.565 12.963 0.62 17.46 O ANISOU 859 OD1AASP A 52 1945 2238 2450 193 -240 -78 O ATOM 860 OD1BASP A 52 -30.292 6.455 9.998 0.38 16.99 O ANISOU 860 OD1BASP A 52 1823 2277 2354 181 -304 -81 O ATOM 861 OD2AASP A 52 -30.125 8.709 11.274 0.62 16.32 O ANISOU 861 OD2AASP A 52 1760 2131 2311 230 -294 -72 O ATOM 862 OD2BASP A 52 -30.555 8.510 10.711 0.38 17.50 O ANISOU 862 OD2BASP A 52 1895 2298 2458 236 -310 -72 O ATOM 0 H AASP A 52 -26.968 6.738 12.999 0.62 10.38 H new ATOM 0 H BASP A 52 -26.943 6.678 13.022 0.38 10.38 H new ATOM 0 HA AASP A 52 -27.470 5.689 10.659 0.62 11.01 H new ATOM 0 HA BASP A 52 -27.747 5.805 10.767 0.38 11.01 H new ATOM 0 HB2AASP A 52 -29.586 6.437 10.839 0.62 12.23 H new ATOM 0 HB2BASP A 52 -29.240 6.561 12.453 0.38 12.23 H new ATOM 0 HB3AASP A 52 -29.157 6.106 12.301 0.62 12.23 H new ATOM 0 HB3BASP A 52 -28.759 8.030 12.246 0.38 12.23 H new ATOM 871 N GLN A 53 -26.506 8.705 10.447 1.00 10.93 N ANISOU 871 N GLN A 53 1198 1394 1563 177 -282 7 N ATOM 872 CA GLN A 53 -26.093 9.732 9.485 1.00 11.32 C ANISOU 872 CA GLN A 53 1273 1421 1605 199 -309 46 C ATOM 873 C GLN A 53 -24.622 9.611 9.024 1.00 10.88 C ANISOU 873 C GLN A 53 1259 1354 1521 172 -300 76 C ATOM 874 O GLN A 53 -24.092 10.536 8.389 1.00 11.29 O ANISOU 874 O GLN A 53 1338 1382 1568 183 -314 111 O ATOM 875 CB GLN A 53 -26.364 11.129 10.047 1.00 14.71 C ANISOU 875 CB GLN A 53 1709 1812 2070 231 -314 48 C ATOM 876 CG GLN A 53 -27.853 11.408 10.210 1.00 16.25 C ANISOU 876 CG GLN A 53 1862 2021 2293 266 -329 23 C ATOM 877 CD GLN A 53 -28.595 11.329 8.875 1.00 17.34 C ANISOU 877 CD GLN A 53 1983 2188 2418 289 -368 39 C ATOM 878 OE1 GLN A 53 -28.235 12.009 7.923 1.00 22.22 O ANISOU 878 OE1 GLN A 53 2628 2791 3024 304 -394 78 O ATOM 879 NE2 GLN A 53 -29.627 10.493 8.800 1.00 20.95 N ANISOU 879 NE2 GLN A 53 2396 2689 2877 288 -373 9 N ATOM 0 H GLN A 53 -26.285 8.867 11.262 1.00 10.93 H new ATOM 0 HA GLN A 53 -26.632 9.585 8.692 1.00 11.32 H new ATOM 0 HB2 GLN A 53 -25.924 11.220 10.907 1.00 14.71 H new ATOM 0 HB3 GLN A 53 -25.975 11.794 9.457 1.00 14.71 H new ATOM 0 HG2 GLN A 53 -28.236 10.769 10.831 1.00 16.25 H new ATOM 0 HG3 GLN A 53 -27.977 12.289 10.597 1.00 16.25 H new ATOM 0 HE21 GLN A 53 -29.855 10.029 9.487 1.00 20.95 H new ATOM 0 HE22 GLN A 53 -30.066 10.417 8.064 1.00 20.95 H new ATOM 888 N ALA A 54 -23.985 8.476 9.286 1.00 9.31 N ANISOU 888 N ALA A 54 1062 1171 1303 138 -278 64 N ATOM 889 CA ALA A 54 -22.593 8.293 8.898 1.00 8.99 C ANISOU 889 CA ALA A 54 1055 1124 1238 114 -268 87 C ATOM 890 C ALA A 54 -22.427 8.446 7.404 1.00 9.58 C ANISOU 890 C ALA A 54 1142 1213 1285 121 -292 119 C ATOM 891 O ALA A 54 -23.295 8.009 6.612 1.00 11.75 O ANISOU 891 O ALA A 54 1397 1520 1547 133 -313 113 O ATOM 892 CB ALA A 54 -22.141 6.949 9.314 1.00 10.68 C ANISOU 892 CB ALA A 54 1264 1357 1438 83 -245 66 C ATOM 0 H ALA A 54 -24.339 7.802 9.686 1.00 9.31 H new ATOM 0 HA ALA A 54 -22.056 8.972 9.336 1.00 8.99 H new ATOM 0 HB1 ALA A 54 -21.214 6.825 9.056 1.00 10.68 H new ATOM 0 HB2 ALA A 54 -22.223 6.863 10.277 1.00 10.68 H new ATOM 0 HB3 ALA A 54 -22.689 6.275 8.882 1.00 10.68 H new ATOM 898 N THR A 55 -21.300 9.021 7.006 1.00 8.50 N ANISOU 898 N THR A 55 1037 1057 1135 112 -287 151 N ATOM 899 CA THR A 55 -20.930 9.178 5.605 1.00 9.28 C ANISOU 899 CA THR A 55 1154 1170 1200 113 -303 185 C ATOM 900 C THR A 55 -19.603 8.504 5.347 1.00 7.72 C ANISOU 900 C THR A 55 974 984 976 81 -281 192 C ATOM 901 O THR A 55 -18.544 9.079 5.618 1.00 7.22 O ANISOU 901 O THR A 55 932 895 918 67 -265 210 O ATOM 902 CB THR A 55 -20.763 10.684 5.264 1.00 10.19 C ANISOU 902 CB THR A 55 1296 1250 1327 132 -317 226 C ATOM 903 OG1 THR A 55 -21.971 11.407 5.570 1.00 13.11 O ANISOU 903 OG1 THR A 55 1649 1604 1727 167 -338 219 O ATOM 904 CG2 THR A 55 -20.389 10.886 3.791 1.00 11.42 C ANISOU 904 CG2 THR A 55 1473 1422 1443 133 -332 267 C ATOM 0 H THR A 55 -20.717 9.337 7.553 1.00 8.50 H new ATOM 0 HA THR A 55 -21.628 8.782 5.061 1.00 9.28 H new ATOM 0 HB THR A 55 -20.039 11.030 5.809 1.00 10.19 H new ATOM 0 HG1 THR A 55 -22.341 11.650 4.856 1.00 13.11 H new ATOM 0 HG21 THR A 55 -20.292 11.834 3.609 1.00 11.42 H new ATOM 0 HG22 THR A 55 -19.551 10.434 3.605 1.00 11.42 H new ATOM 0 HG23 THR A 55 -21.087 10.518 3.226 1.00 11.42 H new ATOM 912 N SER A 56 -19.634 7.267 4.884 1.00 7.27 N ANISOU 912 N SER A 56 906 964 893 69 -279 173 N ATOM 913 CA SER A 56 -18.420 6.602 4.481 1.00 6.78 C ANISOU 913 CA SER A 56 858 916 804 44 -260 178 C ATOM 914 C SER A 56 -17.941 7.195 3.173 1.00 7.26 C ANISOU 914 C SER A 56 940 987 831 47 -270 217 C ATOM 915 O SER A 56 -18.745 7.680 2.383 1.00 8.39 O ANISOU 915 O SER A 56 1085 1141 963 69 -296 234 O ATOM 916 CB SER A 56 -18.623 5.098 4.317 1.00 8.47 C ANISOU 916 CB SER A 56 1055 1163 1001 32 -256 144 C ATOM 917 OG SER A 56 -19.543 4.816 3.270 1.00 8.59 O ANISOU 917 OG SER A 56 1060 1211 995 46 -282 141 O ATOM 0 H SER A 56 -20.350 6.798 4.797 1.00 7.27 H new ATOM 0 HA SER A 56 -17.758 6.735 5.177 1.00 6.78 H new ATOM 0 HB2 SER A 56 -17.772 4.673 4.127 1.00 8.47 H new ATOM 0 HB3 SER A 56 -18.949 4.720 5.149 1.00 8.47 H new ATOM 0 HG SER A 56 -19.149 4.401 2.655 1.00 8.59 H new ATOM 923 N LEU A 57 -16.633 7.160 2.942 1.00 7.18 N ANISOU 923 N LEU A 57 947 976 804 25 -248 232 N ATOM 924 CA LEU A 57 -16.083 7.801 1.760 1.00 7.81 C ANISOU 924 CA LEU A 57 1051 1065 852 23 -251 274 C ATOM 925 C LEU A 57 -15.252 6.865 0.922 1.00 7.14 C ANISOU 925 C LEU A 57 968 1018 725 5 -236 268 C ATOM 926 O LEU A 57 -15.422 6.832 -0.296 1.00 7.99 O ANISOU 926 O LEU A 57 1086 1158 792 12 -248 286 O ATOM 927 CB LEU A 57 -15.237 9.016 2.146 1.00 9.21 C ANISOU 927 CB LEU A 57 1249 1201 1051 13 -238 306 C ATOM 928 CG LEU A 57 -16.045 10.170 2.776 1.00 12.01 C ANISOU 928 CG LEU A 57 1606 1512 1444 35 -255 316 C ATOM 929 CD1 LEU A 57 -15.093 11.277 3.243 1.00 14.59 C ANISOU 929 CD1 LEU A 57 1953 1794 1795 19 -239 341 C ATOM 930 CD2 LEU A 57 -17.054 10.747 1.792 1.00 12.84 C ANISOU 930 CD2 LEU A 57 1720 1626 1534 64 -287 343 C ATOM 0 H LEU A 57 -16.056 6.776 3.451 1.00 7.18 H new ATOM 0 HA LEU A 57 -16.843 8.082 1.227 1.00 7.81 H new ATOM 0 HB2 LEU A 57 -14.551 8.735 2.771 1.00 9.21 H new ATOM 0 HB3 LEU A 57 -14.782 9.346 1.355 1.00 9.21 H new ATOM 0 HG LEU A 57 -16.533 9.813 3.534 1.00 12.01 H new ATOM 0 HD11 LEU A 57 -15.606 12.000 3.638 1.00 14.59 H new ATOM 0 HD12 LEU A 57 -14.479 10.919 3.903 1.00 14.59 H new ATOM 0 HD13 LEU A 57 -14.591 11.614 2.484 1.00 14.59 H new ATOM 0 HD21 LEU A 57 -17.544 11.468 2.217 1.00 12.84 H new ATOM 0 HD22 LEU A 57 -16.588 11.089 1.013 1.00 12.84 H new ATOM 0 HD23 LEU A 57 -17.673 10.052 1.519 1.00 12.84 H new ATOM 942 N ARG A 58 -14.358 6.107 1.541 1.00 7.28 N ANISOU 942 N ARG A 58 978 1036 750 -15 -210 244 N ATOM 943 CA ARG A 58 -13.295 5.456 0.788 1.00 7.47 C ANISOU 943 CA ARG A 58 1008 1091 740 -32 -190 244 C ATOM 944 C ARG A 58 -12.769 4.271 1.593 1.00 6.95 C ANISOU 944 C ARG A 58 925 1027 687 -44 -172 204 C ATOM 945 O ARG A 58 -12.859 4.262 2.831 1.00 6.90 O ANISOU 945 O ARG A 58 910 992 718 -45 -168 188 O ATOM 946 CB ARG A 58 -12.171 6.474 0.529 1.00 10.92 C ANISOU 946 CB ARG A 58 1463 1514 1172 -48 -172 284 C ATOM 947 CG ARG A 58 -11.083 6.013 -0.374 1.00 12.66 C ANISOU 947 CG ARG A 58 1688 1770 1354 -65 -149 289 C ATOM 948 CD ARG A 58 -10.008 7.101 -0.568 1.00 14.38 C ANISOU 948 CD ARG A 58 1921 1971 1573 -86 -128 330 C ATOM 949 NE ARG A 58 -9.223 7.320 0.640 1.00 14.12 N ANISOU 949 NE ARG A 58 1878 1906 1582 -102 -112 319 N ATOM 950 CZ ARG A 58 -7.927 7.643 0.649 1.00 12.27 C ANISOU 950 CZ ARG A 58 1643 1670 1351 -127 -85 331 C ATOM 951 NH1 ARG A 58 -7.259 7.778 -0.484 1.00 14.89 N ANISOU 951 NH1 ARG A 58 1983 2031 1644 -141 -67 357 N ATOM 952 NH2 ARG A 58 -7.299 7.784 1.798 1.00 14.95 N ANISOU 952 NH2 ARG A 58 1970 1982 1729 -139 -75 316 N ATOM 0 H ARG A 58 -14.348 5.957 2.388 1.00 7.28 H new ATOM 0 HA ARG A 58 -13.630 5.133 -0.063 1.00 7.47 H new ATOM 0 HB2 ARG A 58 -12.564 7.277 0.152 1.00 10.92 H new ATOM 0 HB3 ARG A 58 -11.779 6.723 1.381 1.00 10.92 H new ATOM 0 HG2 ARG A 58 -10.673 5.214 -0.007 1.00 12.66 H new ATOM 0 HG3 ARG A 58 -11.457 5.770 -1.235 1.00 12.66 H new ATOM 0 HD2 ARG A 58 -9.418 6.844 -1.294 1.00 14.38 H new ATOM 0 HD3 ARG A 58 -10.435 7.932 -0.830 1.00 14.38 H new ATOM 0 HE ARG A 58 -9.621 7.236 1.398 1.00 14.12 H new ATOM 0 HH11 ARG A 58 -7.659 7.658 -1.236 1.00 14.89 H new ATOM 0 HH12 ARG A 58 -6.425 7.986 -0.469 1.00 14.89 H new ATOM 0 HH21 ARG A 58 -7.723 7.668 2.537 1.00 14.95 H new ATOM 0 HH22 ARG A 58 -6.465 7.992 1.809 1.00 14.95 H new ATOM 966 N ILE A 59 -12.215 3.285 0.906 1.00 6.16 N ANISOU 966 N ILE A 59 822 961 558 -51 -161 187 N ATOM 967 CA ILE A 59 -11.529 2.179 1.548 1.00 5.88 C ANISOU 967 CA ILE A 59 775 926 534 -60 -142 153 C ATOM 968 C ILE A 59 -10.118 2.157 1.009 1.00 6.33 C ANISOU 968 C ILE A 59 835 1000 570 -74 -117 163 C ATOM 969 O ILE A 59 -9.893 2.346 -0.183 1.00 7.23 O ANISOU 969 O ILE A 59 958 1143 645 -76 -114 180 O ATOM 970 CB ILE A 59 -12.301 0.847 1.331 1.00 6.24 C ANISOU 970 CB ILE A 59 810 991 571 -53 -153 114 C ATOM 971 CG1 ILE A 59 -11.720 -0.263 2.213 1.00 6.52 C ANISOU 971 CG1 ILE A 59 835 1014 627 -60 -137 82 C ATOM 972 CG2 ILE A 59 -12.354 0.442 -0.127 1.00 7.81 C ANISOU 972 CG2 ILE A 59 1013 1231 722 -50 -158 111 C ATOM 973 CD1 ILE A 59 -12.529 -1.543 2.223 1.00 7.63 C ANISOU 973 CD1 ILE A 59 968 1163 770 -56 -146 44 C ATOM 0 H ILE A 59 -12.227 3.239 0.047 1.00 6.16 H new ATOM 0 HA ILE A 59 -11.493 2.291 2.511 1.00 5.88 H new ATOM 0 HB ILE A 59 -13.221 0.995 1.602 1.00 6.24 H new ATOM 0 HG12 ILE A 59 -10.821 -0.464 1.910 1.00 6.52 H new ATOM 0 HG13 ILE A 59 -11.646 0.067 3.122 1.00 6.52 H new ATOM 0 HG21 ILE A 59 -12.843 -0.391 -0.214 1.00 7.81 H new ATOM 0 HG22 ILE A 59 -12.801 1.134 -0.639 1.00 7.81 H new ATOM 0 HG23 ILE A 59 -11.452 0.323 -0.463 1.00 7.81 H new ATOM 0 HD11 ILE A 59 -12.099 -2.193 2.800 1.00 7.63 H new ATOM 0 HD12 ILE A 59 -13.422 -1.359 2.553 1.00 7.63 H new ATOM 0 HD13 ILE A 59 -12.584 -1.898 1.322 1.00 7.63 H new ATOM 985 N LEU A 60 -9.144 1.988 1.902 1.00 8.04 N ANISOU 985 N LEU A 60 1043 1200 811 -84 -99 153 N ATOM 986 CA ALEU A 60 -7.710 2.217 1.642 0.56 6.03 C ANISOU 986 CA ALEU A 60 786 957 548 -100 -74 165 C ATOM 987 CA BLEU A 60 -7.771 1.987 1.451 0.44 9.93 C ANISOU 987 CA BLEU A 60 1280 1459 1035 -98 -74 160 C ATOM 988 C LEU A 60 -6.923 0.991 2.162 1.00 6.98 C ANISOU 988 C LEU A 60 890 1084 678 -100 -60 128 C ATOM 989 O LEU A 60 -7.138 0.601 3.311 1.00 8.65 O ANISOU 989 O LEU A 60 1096 1271 920 -95 -66 110 O ATOM 990 CB ALEU A 60 -7.241 3.495 2.387 0.56 6.64 C ANISOU 990 CB ALEU A 60 868 1002 655 -113 -69 192 C ATOM 991 CB BLEU A 60 -7.141 3.343 1.632 0.44 7.80 C ANISOU 991 CB BLEU A 60 1017 1170 778 -113 -65 196 C ATOM 992 CG ALEU A 60 -5.740 3.759 2.306 0.56 7.26 C ANISOU 992 CG ALEU A 60 937 1088 733 -133 -42 201 C ATOM 993 CG BLEU A 60 -6.986 3.813 3.075 0.44 8.74 C ANISOU 993 CG BLEU A 60 1131 1249 943 -118 -67 193 C ATOM 994 CD1ALEU A 60 -5.438 4.069 0.874 0.56 9.11 C ANISOU 994 CD1ALEU A 60 1181 1355 925 -141 -30 226 C ATOM 995 CD1BLEU A 60 -5.880 3.102 3.826 0.44 8.68 C ANISOU 995 CD1BLEU A 60 1104 1242 950 -125 -51 167 C ATOM 996 CD2ALEU A 60 -5.332 4.876 3.232 0.56 7.59 C ANISOU 996 CD2ALEU A 60 980 1094 811 -147 -41 218 C ATOM 997 CD2BLEU A 60 -6.673 5.274 3.035 0.44 13.26 C ANISOU 997 CD2BLEU A 60 1714 1798 1525 -132 -64 231 C ATOM 0 H ALEU A 60 -9.300 1.728 2.707 0.56 8.04 H new ATOM 0 H BLEU A 60 -9.258 1.876 2.747 0.44 8.04 H new ATOM 0 HA ALEU A 60 -7.556 2.336 0.692 0.56 9.93 H new ATOM 0 HA BLEU A 60 -7.810 1.747 0.512 0.44 9.93 H new ATOM 0 HB2ALEU A 60 -7.713 4.260 2.022 0.56 7.80 H new ATOM 0 HB2BLEU A 60 -6.264 3.332 1.217 0.44 7.80 H new ATOM 0 HB3ALEU A 60 -7.496 3.424 3.320 0.56 7.80 H new ATOM 0 HB3BLEU A 60 -7.674 3.996 1.152 0.44 7.80 H new ATOM 0 HG ALEU A 60 -5.231 2.986 2.595 0.56 8.74 H new ATOM 0 HG BLEU A 60 -7.812 3.616 3.545 0.44 8.74 H new ATOM 0 HD11ALEU A 60 -4.489 4.245 0.774 0.56 8.68 H new ATOM 0 HD11BLEU A 60 -5.833 3.444 4.733 0.44 8.68 H new ATOM 0 HD12ALEU A 60 -5.687 3.313 0.320 0.56 8.68 H new ATOM 0 HD12BLEU A 60 -6.064 2.150 3.849 0.44 8.68 H new ATOM 0 HD13ALEU A 60 -5.942 4.851 0.599 0.56 8.68 H new ATOM 0 HD13BLEU A 60 -5.034 3.256 3.378 0.44 8.68 H new ATOM 0 HD21ALEU A 60 -4.376 5.023 3.161 0.56 13.26 H new ATOM 0 HD21BLEU A 60 -6.568 5.607 3.940 0.44 13.26 H new ATOM 0 HD22ALEU A 60 -5.802 5.688 2.987 0.56 13.26 H new ATOM 0 HD22BLEU A 60 -5.850 5.416 2.541 0.44 13.26 H new ATOM 0 HD23ALEU A 60 -5.555 4.637 4.145 0.56 13.26 H new ATOM 0 HD23BLEU A 60 -7.398 5.749 2.598 0.44 13.26 H new ATOM 1020 N ASN A 61 -5.972 0.467 1.412 1.00 7.91 N ANISOU 1020 N ASN A 61 1001 1233 772 -104 -40 119 N ATOM 1021 CA ASN A 61 -4.981 -0.473 1.942 1.00 7.29 C ANISOU 1021 CA ASN A 61 906 1158 707 -102 -26 90 C ATOM 1022 C ASN A 61 -3.761 0.376 2.334 1.00 7.89 C ANISOU 1022 C ASN A 61 971 1228 799 -119 -8 109 C ATOM 1023 O ASN A 61 -3.111 0.959 1.463 1.00 9.32 O ANISOU 1023 O ASN A 61 1152 1433 958 -133 10 129 O ATOM 1024 CB ASN A 61 -4.593 -1.497 0.871 1.00 7.59 C ANISOU 1024 CB ASN A 61 939 1234 712 -95 -13 65 C ATOM 1025 CG ASN A 61 -3.539 -2.482 1.343 1.00 8.39 C ANISOU 1025 CG ASN A 61 1021 1337 829 -89 1 34 C ATOM 1026 OD1 ASN A 61 -2.731 -2.169 2.212 1.00 8.97 O ANISOU 1026 OD1 ASN A 61 1083 1397 930 -94 7 39 O ATOM 1027 ND2 ASN A 61 -3.545 -3.670 0.775 1.00 9.02 N ANISOU 1027 ND2 ASN A 61 1099 1436 893 -75 4 0 N ATOM 0 H ASN A 61 -5.876 0.642 0.576 1.00 7.91 H new ATOM 0 HA ASN A 61 -5.330 -0.967 2.700 1.00 7.29 H new ATOM 0 HB2 ASN A 61 -5.385 -1.986 0.597 1.00 7.59 H new ATOM 0 HB3 ASN A 61 -4.263 -1.029 0.088 1.00 7.59 H new ATOM 0 HD21 ASN A 61 -2.967 -4.262 1.010 1.00 9.02 H new ATOM 0 HD22 ASN A 61 -4.127 -3.854 0.169 1.00 9.02 H new ATOM 1034 N ASN A 62 -3.453 0.466 3.625 1.00 7.10 N ANISOU 1034 N ASN A 62 863 1100 735 -120 -13 102 N ATOM 1035 CA ASN A 62 -2.344 1.325 4.074 1.00 8.39 C ANISOU 1035 CA ASN A 62 1013 1256 916 -139 0 117 C ATOM 1036 C ASN A 62 -1.101 0.513 4.416 1.00 9.45 C ANISOU 1036 C ASN A 62 1123 1408 1061 -136 13 91 C ATOM 1037 O ASN A 62 -0.114 1.061 4.969 1.00 10.61 O ANISOU 1037 O ASN A 62 1253 1550 1228 -150 21 95 O ATOM 1038 CB ASN A 62 -2.717 2.200 5.265 1.00 9.35 C ANISOU 1038 CB ASN A 62 1142 1339 1072 -144 -15 128 C ATOM 1039 CG ASN A 62 -3.084 1.395 6.487 1.00 7.47 C ANISOU 1039 CG ASN A 62 902 1082 855 -129 -30 102 C ATOM 1040 OD1 ASN A 62 -2.702 0.231 6.631 1.00 8.63 O ANISOU 1040 OD1 ASN A 62 1039 1241 1000 -116 -28 76 O ATOM 1041 ND2 ASN A 62 -3.841 1.997 7.377 1.00 11.53 N ANISOU 1041 ND2 ASN A 62 1427 1565 1388 -128 -46 108 N ATOM 0 H ASN A 62 -3.864 0.047 4.254 1.00 7.10 H new ATOM 0 HA ASN A 62 -2.149 1.906 3.322 1.00 8.39 H new ATOM 0 HB2 ASN A 62 -1.972 2.784 5.479 1.00 9.35 H new ATOM 0 HB3 ASN A 62 -3.463 2.770 5.022 1.00 9.35 H new ATOM 0 HD21 ASN A 62 -4.086 1.578 8.087 1.00 11.53 H new ATOM 0 HD22 ASN A 62 -4.092 2.810 7.249 1.00 11.53 H new ATOM 1048 N GLY A 63 -1.082 -0.759 4.050 1.00 9.00 N ANISOU 1048 N GLY A 63 1061 1369 990 -117 16 63 N ATOM 1049 CA GLY A 63 0.079 -1.584 4.289 1.00 9.57 C ANISOU 1049 CA GLY A 63 1109 1456 1072 -109 27 37 C ATOM 1050 C GLY A 63 0.096 -2.253 5.637 1.00 9.62 C ANISOU 1050 C GLY A 63 1112 1435 1108 -93 10 18 C ATOM 1051 O GLY A 63 0.944 -3.142 5.875 1.00 11.76 O ANISOU 1051 O GLY A 63 1365 1715 1387 -78 14 -6 O ATOM 0 H GLY A 63 -1.735 -1.161 3.661 1.00 9.00 H new ATOM 0 HA2 GLY A 63 0.126 -2.266 3.601 1.00 9.57 H new ATOM 0 HA3 GLY A 63 0.875 -1.037 4.201 1.00 9.57 H new ATOM 1055 N ALA A 64 -0.810 -1.862 6.518 1.00 8.19 N ANISOU 1055 N ALA A 64 947 1222 941 -95 -9 28 N ATOM 1056 CA ALA A 64 -0.940 -2.491 7.837 1.00 9.11 C ANISOU 1056 CA ALA A 64 1067 1313 1081 -81 -26 14 C ATOM 1057 C ALA A 64 -2.297 -3.159 7.997 1.00 7.07 C ANISOU 1057 C ALA A 64 830 1036 820 -70 -39 7 C ATOM 1058 O ALA A 64 -2.417 -4.173 8.696 1.00 8.89 O ANISOU 1058 O ALA A 64 1065 1252 1062 -55 -47 -10 O ATOM 1059 CB ALA A 64 -0.742 -1.494 8.926 1.00 9.45 C ANISOU 1059 CB ALA A 64 1108 1337 1146 -93 -34 27 C ATOM 0 H ALA A 64 -1.370 -1.225 6.375 1.00 8.19 H new ATOM 0 HA ALA A 64 -0.250 -3.169 7.902 1.00 9.11 H new ATOM 0 HB1 ALA A 64 -0.832 -1.932 9.787 1.00 9.45 H new ATOM 0 HB2 ALA A 64 0.144 -1.106 8.853 1.00 9.45 H new ATOM 0 HB3 ALA A 64 -1.409 -0.794 8.849 1.00 9.45 H new ATOM 1065 N ALA A 65 -3.317 -2.585 7.382 1.00 6.10 N ANISOU 1065 N ALA A 65 721 913 685 -78 -42 21 N ATOM 1066 CA ALA A 65 -4.680 -3.103 7.355 1.00 5.99 C ANISOU 1066 CA ALA A 65 722 886 666 -72 -53 15 C ATOM 1067 C ALA A 65 -5.373 -2.391 6.205 1.00 6.38 C ANISOU 1067 C ALA A 65 780 952 695 -79 -54 31 C ATOM 1068 O ALA A 65 -4.724 -1.687 5.417 1.00 6.82 O ANISOU 1068 O ALA A 65 831 1027 735 -88 -42 46 O ATOM 1069 CB ALA A 65 -5.392 -2.832 8.695 1.00 6.88 C ANISOU 1069 CB ALA A 65 844 968 801 -72 -66 19 C ATOM 0 H ALA A 65 -3.233 -1.848 6.947 1.00 6.10 H new ATOM 0 HA ALA A 65 -4.696 -4.065 7.229 1.00 5.99 H new ATOM 0 HB1 ALA A 65 -6.296 -3.183 8.658 1.00 6.88 H new ATOM 0 HB2 ALA A 65 -4.906 -3.266 9.414 1.00 6.88 H new ATOM 0 HB3 ALA A 65 -5.423 -1.876 8.858 1.00 6.88 H new ATOM 1075 N PHE A 66 -6.689 -2.539 6.106 1.00 6.50 N ANISOU 1075 N PHE A 66 805 959 707 -75 -67 28 N ATOM 1076 CA PHE A 66 -7.487 -1.660 5.247 1.00 6.14 C ANISOU 1076 CA PHE A 66 767 923 644 -79 -74 48 C ATOM 1077 C PHE A 66 -8.401 -0.816 6.128 1.00 5.94 C ANISOU 1077 C PHE A 66 747 871 641 -80 -87 62 C ATOM 1078 O PHE A 66 -9.001 -1.302 7.102 1.00 6.28 O ANISOU 1078 O PHE A 66 789 894 702 -76 -93 48 O ATOM 1079 CB PHE A 66 -8.263 -2.431 4.157 1.00 8.09 C ANISOU 1079 CB PHE A 66 1017 1192 866 -73 -81 32 C ATOM 1080 CG PHE A 66 -9.295 -3.402 4.677 1.00 6.87 C ANISOU 1080 CG PHE A 66 863 1022 726 -67 -92 8 C ATOM 1081 CD1 PHE A 66 -8.999 -4.737 4.888 1.00 8.17 C ANISOU 1081 CD1 PHE A 66 1025 1182 896 -63 -87 -21 C ATOM 1082 CD2 PHE A 66 -10.569 -2.967 4.995 1.00 7.00 C ANISOU 1082 CD2 PHE A 66 881 1027 753 -67 -108 14 C ATOM 1083 CE1 PHE A 66 -9.932 -5.584 5.385 1.00 8.61 C ANISOU 1083 CE1 PHE A 66 1083 1220 967 -62 -96 -41 C ATOM 1084 CE2 PHE A 66 -11.488 -3.831 5.488 1.00 8.22 C ANISOU 1084 CE2 PHE A 66 1033 1169 922 -66 -115 -8 C ATOM 1085 CZ PHE A 66 -11.186 -5.130 5.689 1.00 7.45 C ANISOU 1085 CZ PHE A 66 935 1065 829 -66 -108 -34 C ATOM 0 H PHE A 66 -7.141 -3.139 6.525 1.00 6.50 H new ATOM 0 HA PHE A 66 -6.889 -1.075 4.756 1.00 6.14 H new ATOM 0 HB2 PHE A 66 -8.704 -1.790 3.578 1.00 8.09 H new ATOM 0 HB3 PHE A 66 -7.627 -2.918 3.609 1.00 8.09 H new ATOM 0 HD1 PHE A 66 -8.149 -5.057 4.686 1.00 8.17 H new ATOM 0 HD2 PHE A 66 -10.796 -2.074 4.869 1.00 7.00 H new ATOM 0 HE1 PHE A 66 -9.719 -6.479 5.520 1.00 8.61 H new ATOM 0 HE2 PHE A 66 -12.342 -3.523 5.691 1.00 8.22 H new ATOM 0 HZ PHE A 66 -11.825 -5.712 6.032 1.00 7.45 H new ATOM 1095 N ASN A 67 -8.492 0.461 5.802 1.00 6.24 N ANISOU 1095 N ASN A 67 790 905 676 -85 -90 89 N ATOM 1096 CA ASN A 67 -9.344 1.372 6.536 1.00 5.69 C ANISOU 1096 CA ASN A 67 725 809 627 -83 -102 101 C ATOM 1097 C ASN A 67 -10.523 1.797 5.684 1.00 5.84 C ANISOU 1097 C ASN A 67 750 837 633 -74 -118 113 C ATOM 1098 O ASN A 67 -10.343 2.213 4.528 1.00 7.07 O ANISOU 1098 O ASN A 67 912 1011 763 -75 -118 132 O ATOM 1099 CB ASN A 67 -8.584 2.642 6.943 1.00 7.60 C ANISOU 1099 CB ASN A 67 970 1033 883 -93 -96 124 C ATOM 1100 CG ASN A 67 -7.533 2.396 8.004 1.00 8.53 C ANISOU 1100 CG ASN A 67 1080 1142 1020 -101 -87 111 C ATOM 1101 OD1 ASN A 67 -7.288 1.277 8.421 1.00 9.44 O ANISOU 1101 OD1 ASN A 67 1188 1262 1134 -96 -84 88 O ATOM 1102 ND2 ASN A 67 -6.905 3.470 8.442 1.00 11.89 N ANISOU 1102 ND2 ASN A 67 1506 1550 1461 -112 -84 125 N ATOM 0 H ASN A 67 -8.062 0.822 5.151 1.00 6.24 H new ATOM 0 HA ASN A 67 -9.645 0.901 7.328 1.00 5.69 H new ATOM 0 HB2 ASN A 67 -8.160 3.023 6.158 1.00 7.60 H new ATOM 0 HB3 ASN A 67 -9.217 3.300 7.270 1.00 7.60 H new ATOM 0 HD21 ASN A 67 -6.296 3.396 9.045 1.00 11.89 H new ATOM 0 HD22 ASN A 67 -7.104 4.244 8.125 1.00 11.89 H new ATOM 1109 N VAL A 68 -11.703 1.764 6.259 1.00 4.96 N ANISOU 1109 N VAL A 68 635 712 537 -65 -131 103 N ATOM 1110 CA VAL A 68 -12.879 2.439 5.708 1.00 5.13 C ANISOU 1110 CA VAL A 68 659 736 556 -54 -150 116 C ATOM 1111 C VAL A 68 -13.001 3.774 6.401 1.00 5.46 C ANISOU 1111 C VAL A 68 707 747 623 -51 -153 135 C ATOM 1112 O VAL A 68 -13.140 3.834 7.631 1.00 6.25 O ANISOU 1112 O VAL A 68 802 825 748 -51 -150 121 O ATOM 1113 CB VAL A 68 -14.148 1.587 5.888 1.00 5.11 C ANISOU 1113 CB VAL A 68 644 740 558 -46 -161 89 C ATOM 1114 CG1 VAL A 68 -15.361 2.380 5.450 1.00 6.70 C ANISOU 1114 CG1 VAL A 68 842 943 762 -31 -183 101 C ATOM 1115 CG2 VAL A 68 -14.036 0.299 5.107 1.00 6.10 C ANISOU 1115 CG2 VAL A 68 765 892 660 -50 -160 68 C ATOM 0 H VAL A 68 -11.857 1.344 6.994 1.00 4.96 H new ATOM 0 HA VAL A 68 -12.777 2.570 4.752 1.00 5.13 H new ATOM 0 HB VAL A 68 -14.247 1.359 6.826 1.00 5.11 H new ATOM 0 HG11 VAL A 68 -16.159 1.841 5.565 1.00 6.70 H new ATOM 0 HG12 VAL A 68 -15.434 3.184 5.988 1.00 6.70 H new ATOM 0 HG13 VAL A 68 -15.268 2.625 4.516 1.00 6.70 H new ATOM 0 HG21 VAL A 68 -14.842 -0.226 5.231 1.00 6.10 H new ATOM 0 HG22 VAL A 68 -13.923 0.500 4.165 1.00 6.10 H new ATOM 0 HG23 VAL A 68 -13.270 -0.206 5.423 1.00 6.10 H new ATOM 1125 N GLU A 69 -12.857 4.846 5.627 1.00 5.93 N ANISOU 1125 N GLU A 69 778 803 673 -49 -159 167 N ATOM 1126 CA GLU A 69 -12.807 6.206 6.144 1.00 5.36 C ANISOU 1126 CA GLU A 69 715 696 625 -47 -161 187 C ATOM 1127 C GLU A 69 -14.144 6.887 6.011 1.00 6.01 C ANISOU 1127 C GLU A 69 798 768 718 -25 -184 195 C ATOM 1128 O GLU A 69 -14.888 6.627 5.060 1.00 6.59 O ANISOU 1128 O GLU A 69 869 866 770 -13 -199 200 O ATOM 1129 CB GLU A 69 -11.790 7.008 5.336 1.00 6.73 C ANISOU 1129 CB GLU A 69 904 869 785 -61 -153 222 C ATOM 1130 CG GLU A 69 -10.394 6.444 5.397 1.00 10.39 C ANISOU 1130 CG GLU A 69 1363 1346 1240 -82 -130 215 C ATOM 1131 CD GLU A 69 -9.554 6.907 4.213 1.00 16.29 C ANISOU 1131 CD GLU A 69 2120 2109 1960 -96 -118 247 C ATOM 1132 OE1 GLU A 69 -10.092 7.531 3.250 1.00 14.84 O ANISOU 1132 OE1 GLU A 69 1951 1928 1758 -88 -129 276 O ATOM 1133 OE2 GLU A 69 -8.347 6.607 4.227 1.00 17.55 O ANISOU 1133 OE2 GLU A 69 2273 2279 2115 -114 -98 243 O ATOM 0 H GLU A 69 -12.784 4.800 4.771 1.00 5.93 H new ATOM 0 HA GLU A 69 -12.561 6.164 7.081 1.00 5.36 H new ATOM 0 HB2 GLU A 69 -12.077 7.042 4.410 1.00 6.73 H new ATOM 0 HB3 GLU A 69 -11.777 7.921 5.662 1.00 6.73 H new ATOM 0 HG2 GLU A 69 -9.969 6.718 6.224 1.00 10.39 H new ATOM 0 HG3 GLU A 69 -10.435 5.475 5.407 1.00 10.39 H new ATOM 1140 N PHE A 70 -14.417 7.778 6.948 1.00 6.34 N ANISOU 1140 N PHE A 70 842 776 793 -19 -186 195 N ATOM 1141 CA PHE A 70 -15.671 8.525 7.047 1.00 6.81 C ANISOU 1141 CA PHE A 70 898 819 870 6 -207 198 C ATOM 1142 C PHE A 70 -15.437 10.014 7.024 1.00 6.52 C ANISOU 1142 C PHE A 70 880 744 852 11 -212 227 C ATOM 1143 O PHE A 70 -14.369 10.501 7.374 1.00 7.08 O ANISOU 1143 O PHE A 70 963 793 933 -9 -197 237 O ATOM 1144 CB PHE A 70 -16.410 8.164 8.351 1.00 5.84 C ANISOU 1144 CB PHE A 70 757 688 773 13 -203 162 C ATOM 1145 CG PHE A 70 -16.939 6.773 8.338 1.00 6.13 C ANISOU 1145 CG PHE A 70 775 757 796 10 -201 135 C ATOM 1146 CD1 PHE A 70 -16.103 5.679 8.526 1.00 5.58 C ANISOU 1146 CD1 PHE A 70 706 703 713 -10 -184 121 C ATOM 1147 CD2 PHE A 70 -18.258 6.537 8.072 1.00 5.67 C ANISOU 1147 CD2 PHE A 70 699 715 740 28 -218 123 C ATOM 1148 CE1 PHE A 70 -16.597 4.383 8.450 1.00 7.85 C ANISOU 1148 CE1 PHE A 70 979 1015 990 -13 -183 97 C ATOM 1149 CE2 PHE A 70 -18.766 5.244 8.002 1.00 6.64 C ANISOU 1149 CE2 PHE A 70 805 866 853 21 -216 97 C ATOM 1150 CZ PHE A 70 -17.920 4.171 8.186 1.00 7.92 C ANISOU 1150 CZ PHE A 70 970 1036 1001 0 -198 85 C ATOM 0 H PHE A 70 -13.859 7.976 7.571 1.00 6.34 H new ATOM 0 HA PHE A 70 -16.209 8.280 6.278 1.00 6.81 H new ATOM 0 HB2 PHE A 70 -15.806 8.270 9.102 1.00 5.84 H new ATOM 0 HB3 PHE A 70 -17.143 8.785 8.487 1.00 5.84 H new ATOM 0 HD1 PHE A 70 -15.201 5.816 8.705 1.00 5.58 H new ATOM 0 HD2 PHE A 70 -18.830 7.258 7.935 1.00 5.67 H new ATOM 0 HE1 PHE A 70 -16.027 3.660 8.579 1.00 7.85 H new ATOM 0 HE2 PHE A 70 -19.670 5.104 7.832 1.00 6.64 H new ATOM 0 HZ PHE A 70 -18.250 3.303 8.130 1.00 7.92 H new ATOM 1160 N ASP A 71 -16.464 10.762 6.648 1.00 7.52 N ANISOU 1160 N ASP A 71 1009 859 988 37 -234 241 N ATOM 1161 CA ASP A 71 -16.447 12.209 6.791 1.00 8.25 C ANISOU 1161 CA ASP A 71 1120 905 1108 47 -241 265 C ATOM 1162 C ASP A 71 -16.560 12.551 8.269 1.00 8.30 C ANISOU 1162 C ASP A 71 1120 882 1154 49 -233 234 C ATOM 1163 O ASP A 71 -17.613 12.334 8.894 1.00 10.76 O ANISOU 1163 O ASP A 71 1412 1198 1480 69 -240 205 O ATOM 1164 CB ASP A 71 -17.612 12.827 6.029 1.00 10.20 C ANISOU 1164 CB ASP A 71 1370 1150 1356 82 -271 286 C ATOM 1165 CG ASP A 71 -17.737 14.319 6.256 1.00 9.23 C ANISOU 1165 CG ASP A 71 1266 972 1267 98 -281 308 C ATOM 1166 OD1 ASP A 71 -16.752 14.950 6.689 1.00 10.71 O ANISOU 1166 OD1 ASP A 71 1472 1126 1472 76 -265 317 O ATOM 1167 OD2 ASP A 71 -18.824 14.884 5.999 1.00 12.44 O ANISOU 1167 OD2 ASP A 71 1670 1369 1687 133 -306 315 O ATOM 0 H ASP A 71 -17.187 10.447 6.304 1.00 7.52 H new ATOM 0 HA ASP A 71 -15.620 12.563 6.429 1.00 8.25 H new ATOM 0 HB2 ASP A 71 -17.499 12.657 5.081 1.00 10.20 H new ATOM 0 HB3 ASP A 71 -18.436 12.393 6.299 1.00 10.20 H new ATOM 1172 N ASP A 72 -15.485 13.075 8.848 1.00 8.04 N ANISOU 1172 N ASP A 72 1100 820 1135 26 -217 236 N ATOM 1173 CA ASP A 72 -15.447 13.462 10.249 1.00 8.55 C ANISOU 1173 CA ASP A 72 1161 857 1232 26 -209 205 C ATOM 1174 C ASP A 72 -15.331 14.987 10.392 1.00 10.33 C ANISOU 1174 C ASP A 72 1408 1027 1491 32 -217 222 C ATOM 1175 O ASP A 72 -14.762 15.463 11.372 1.00 12.78 O ANISOU 1175 O ASP A 72 1722 1309 1824 18 -207 203 O ATOM 1176 CB ASP A 72 -14.311 12.746 10.984 1.00 9.18 C ANISOU 1176 CB ASP A 72 1235 949 1303 -5 -188 185 C ATOM 1177 CG ASP A 72 -12.952 13.098 10.458 1.00 11.58 C ANISOU 1177 CG ASP A 72 1554 1244 1600 -34 -178 212 C ATOM 1178 OD1 ASP A 72 -12.854 13.644 9.324 1.00 14.85 O ANISOU 1178 OD1 ASP A 72 1984 1653 2006 -34 -184 250 O ATOM 1179 OD2 ASP A 72 -11.981 12.822 11.175 1.00 12.76 O ANISOU 1179 OD2 ASP A 72 1700 1396 1753 -56 -164 195 O ATOM 0 H ASP A 72 -14.747 13.217 8.430 1.00 8.04 H new ATOM 0 HA ASP A 72 -16.282 13.189 10.661 1.00 8.55 H new ATOM 0 HB2 ASP A 72 -14.354 12.968 11.927 1.00 9.18 H new ATOM 0 HB3 ASP A 72 -14.441 11.787 10.912 1.00 9.18 H new ATOM 1184 N SER A 73 -15.840 15.730 9.407 1.00 10.49 N ANISOU 1184 N SER A 73 1442 1031 1513 51 -235 257 N ATOM 1185 CA SER A 73 -15.815 17.199 9.470 1.00 11.86 C ANISOU 1185 CA SER A 73 1640 1146 1722 60 -244 277 C ATOM 1186 C SER A 73 -17.053 17.768 10.155 1.00 12.55 C ANISOU 1186 C SER A 73 1718 1209 1842 99 -259 251 C ATOM 1187 O SER A 73 -17.154 18.995 10.295 1.00 14.15 O ANISOU 1187 O SER A 73 1940 1358 2080 113 -268 262 O ATOM 1188 CB SER A 73 -15.640 17.791 8.076 1.00 15.15 C ANISOU 1188 CB SER A 73 2082 1552 2123 61 -255 334 C ATOM 1189 OG SER A 73 -16.815 17.642 7.319 1.00 13.51 O ANISOU 1189 OG SER A 73 1867 1365 1901 97 -279 346 O ATOM 0 H SER A 73 -16.203 15.408 8.697 1.00 10.49 H new ATOM 0 HA SER A 73 -15.052 17.453 10.013 1.00 11.86 H new ATOM 0 HB2 SER A 73 -15.412 18.731 8.146 1.00 15.15 H new ATOM 0 HB3 SER A 73 -14.902 17.353 7.624 1.00 15.15 H new ATOM 0 HG SER A 73 -16.897 16.840 7.084 1.00 13.51 H new ATOM 1195 N GLN A 74 -17.994 16.910 10.545 1.00 12.60 N ANISOU 1195 N GLN A 74 1695 1253 1841 118 -261 219 N ATOM 1196 CA GLN A 74 -19.204 17.265 11.319 1.00 14.49 C ANISOU 1196 CA GLN A 74 1917 1480 2110 154 -270 185 C ATOM 1197 C GLN A 74 -19.563 16.063 12.174 1.00 13.47 C ANISOU 1197 C GLN A 74 1756 1394 1967 147 -254 142 C ATOM 1198 O GLN A 74 -19.089 14.971 11.901 1.00 12.66 O ANISOU 1198 O GLN A 74 1647 1330 1832 123 -243 144 O ATOM 1199 CB GLN A 74 -20.408 17.523 10.407 1.00 15.77 C ANISOU 1199 CB GLN A 74 2071 1648 2273 195 -298 204 C ATOM 1200 CG GLN A 74 -20.308 18.715 9.540 1.00 17.32 C ANISOU 1200 CG GLN A 74 2298 1801 2483 210 -318 251 C ATOM 1201 CD GLN A 74 -21.587 18.911 8.795 1.00 17.97 C ANISOU 1201 CD GLN A 74 2367 1893 2567 256 -349 264 C ATOM 1202 OE1 GLN A 74 -21.773 18.390 7.689 1.00 20.63 O ANISOU 1202 OE1 GLN A 74 2703 2268 2869 259 -364 291 O ATOM 1203 NE2 GLN A 74 -22.499 19.646 9.404 1.00 17.59 N ANISOU 1203 NE2 GLN A 74 2309 1816 2559 295 -361 241 N ATOM 0 H GLN A 74 -17.951 16.071 10.363 1.00 12.60 H new ATOM 0 HA GLN A 74 -19.015 18.065 11.834 1.00 14.49 H new ATOM 0 HB2 GLN A 74 -20.540 16.744 9.844 1.00 15.77 H new ATOM 0 HB3 GLN A 74 -21.200 17.611 10.960 1.00 15.77 H new ATOM 0 HG2 GLN A 74 -20.114 19.499 10.076 1.00 17.32 H new ATOM 0 HG3 GLN A 74 -19.574 18.610 8.915 1.00 17.32 H new ATOM 0 HE21 GLN A 74 -22.330 19.991 10.173 1.00 17.59 H new ATOM 0 HE22 GLN A 74 -23.262 19.780 9.031 1.00 17.59 H new ATOM 1212 N ASP A 75 -20.439 16.256 13.161 1.00 13.38 N ANISOU 1212 N ASP A 75 1727 1377 1979 170 -251 103 N ATOM 1213 CA ASP A 75 -20.897 15.196 14.057 1.00 14.03 C ANISOU 1213 CA ASP A 75 1781 1499 2051 164 -233 63 C ATOM 1214 C ASP A 75 -21.925 14.217 13.440 1.00 15.61 C ANISOU 1214 C ASP A 75 1952 1747 2234 176 -241 60 C ATOM 1215 O ASP A 75 -23.010 13.999 13.997 1.00 22.18 O ANISOU 1215 O ASP A 75 2755 2595 3077 195 -238 29 O ATOM 1216 CB ASP A 75 -21.515 15.818 15.320 1.00 15.75 C ANISOU 1216 CB ASP A 75 1990 1697 2299 184 -225 22 C ATOM 1217 CG ASP A 75 -20.469 16.314 16.317 1.00 15.40 C ANISOU 1217 CG ASP A 75 1967 1622 2264 163 -210 6 C ATOM 1218 OD1 ASP A 75 -19.304 15.949 16.193 1.00 23.46 O ANISOU 1218 OD1 ASP A 75 3003 2645 3265 129 -203 21 O ATOM 1219 OD2 ASP A 75 -20.839 17.054 17.247 1.00 22.57 O ANISOU 1219 OD2 ASP A 75 2874 2505 3198 180 -206 -26 O ATOM 0 H ASP A 75 -20.790 17.023 13.331 1.00 13.38 H new ATOM 0 HA ASP A 75 -20.105 14.673 14.257 1.00 14.03 H new ATOM 0 HB2 ASP A 75 -22.086 16.559 15.063 1.00 15.75 H new ATOM 0 HB3 ASP A 75 -22.081 15.161 15.754 1.00 15.75 H new ATOM 1224 N LYS A 76 -21.543 13.546 12.372 1.00 14.19 N ANISOU 1224 N LYS A 76 1776 1591 2023 161 -248 88 N ATOM 1225 CA LYS A 76 -22.437 12.669 11.637 1.00 14.04 C ANISOU 1225 CA LYS A 76 1732 1615 1988 170 -260 87 C ATOM 1226 C LYS A 76 -22.527 11.253 12.189 1.00 14.81 C ANISOU 1226 C LYS A 76 1809 1752 2068 146 -239 58 C ATOM 1227 O LYS A 76 -23.532 10.562 11.998 1.00 16.94 O ANISOU 1227 O LYS A 76 2050 2054 2335 154 -244 42 O ATOM 1228 CB LYS A 76 -21.932 12.557 10.212 1.00 15.89 C ANISOU 1228 CB LYS A 76 1983 1860 2193 163 -276 127 C ATOM 1229 CG LYS A 76 -22.094 13.815 9.416 1.00 17.22 C ANISOU 1229 CG LYS A 76 2171 1997 2374 190 -301 163 C ATOM 1230 CD LYS A 76 -21.555 13.571 8.036 1.00 20.80 C ANISOU 1230 CD LYS A 76 2643 2470 2791 179 -313 203 C ATOM 1231 CE LYS A 76 -21.860 14.729 7.120 1.00 18.93 C ANISOU 1231 CE LYS A 76 2426 2207 2560 208 -341 244 C ATOM 1232 NZ LYS A 76 -21.456 14.330 5.776 1.00 15.09 N ANISOU 1232 NZ LYS A 76 1954 1750 2030 197 -351 279 N ATOM 0 H LYS A 76 -20.748 13.585 12.047 1.00 14.19 H new ATOM 0 HA LYS A 76 -23.319 13.066 11.708 1.00 14.04 H new ATOM 0 HB2 LYS A 76 -20.993 12.312 10.228 1.00 15.89 H new ATOM 0 HB3 LYS A 76 -22.405 11.838 9.765 1.00 15.89 H new ATOM 0 HG2 LYS A 76 -23.029 14.070 9.374 1.00 17.22 H new ATOM 0 HG3 LYS A 76 -21.619 14.547 9.840 1.00 17.22 H new ATOM 0 HD2 LYS A 76 -20.596 13.434 8.080 1.00 20.80 H new ATOM 0 HD3 LYS A 76 -21.941 12.758 7.674 1.00 20.80 H new ATOM 0 HE2 LYS A 76 -22.805 14.945 7.144 1.00 18.93 H new ATOM 0 HE3 LYS A 76 -21.380 15.524 7.401 1.00 18.93 H new ATOM 0 HZ1 LYS A 76 -21.953 14.760 5.176 1.00 15.09 H new ATOM 0 HZ2 LYS A 76 -20.599 14.534 5.651 1.00 15.09 H new ATOM 0 HZ3 LYS A 76 -21.569 13.452 5.680 1.00 15.09 H new ATOM 1246 N ALA A 77 -21.452 10.761 12.763 1.00 12.14 N ANISOU 1246 N ALA A 77 1485 1411 1716 116 -218 54 N ATOM 1247 CA ALA A 77 -21.434 9.408 13.295 1.00 10.92 C ANISOU 1247 CA ALA A 77 1318 1287 1545 93 -199 32 C ATOM 1248 C ALA A 77 -20.641 9.529 14.587 1.00 9.75 C ANISOU 1248 C ALA A 77 1183 1121 1402 78 -177 16 C ATOM 1249 O ALA A 77 -19.425 9.796 14.541 1.00 12.06 O ANISOU 1249 O ALA A 77 1498 1396 1687 62 -174 32 O ATOM 1250 CB ALA A 77 -20.758 8.464 12.327 1.00 13.25 C ANISOU 1250 CB ALA A 77 1620 1605 1810 73 -201 50 C ATOM 0 H ALA A 77 -20.714 11.193 12.858 1.00 12.14 H new ATOM 0 HA ALA A 77 -22.323 9.049 13.441 1.00 10.92 H new ATOM 0 HB1 ALA A 77 -20.755 7.568 12.698 1.00 13.25 H new ATOM 0 HB2 ALA A 77 -21.240 8.464 11.485 1.00 13.25 H new ATOM 0 HB3 ALA A 77 -19.845 8.754 12.176 1.00 13.25 H new ATOM 1256 N VAL A 78 -21.312 9.429 15.723 1.00 8.83 N ANISOU 1256 N VAL A 78 1052 1009 1297 83 -162 -14 N ATOM 1257 CA VAL A 78 -20.676 9.736 16.992 1.00 9.58 C ANISOU 1257 CA VAL A 78 1159 1086 1394 74 -145 -32 C ATOM 1258 C VAL A 78 -20.943 8.678 18.039 1.00 8.90 C ANISOU 1258 C VAL A 78 1062 1024 1294 59 -122 -56 C ATOM 1259 O VAL A 78 -22.011 8.017 18.073 1.00 10.88 O ANISOU 1259 O VAL A 78 1288 1300 1546 63 -115 -70 O ATOM 1260 CB VAL A 78 -21.083 11.093 17.556 1.00 13.50 C ANISOU 1260 CB VAL A 78 1657 1551 1919 98 -149 -46 C ATOM 1261 CG1 VAL A 78 -20.623 12.236 16.642 1.00 12.61 C ANISOU 1261 CG1 VAL A 78 1565 1404 1823 109 -171 -17 C ATOM 1262 CG2 VAL A 78 -22.544 11.135 17.748 1.00 17.34 C ANISOU 1262 CG2 VAL A 78 2114 2052 2421 123 -148 -68 C ATOM 0 H VAL A 78 -22.135 9.186 15.781 1.00 8.83 H new ATOM 0 HA VAL A 78 -19.728 9.759 16.789 1.00 9.58 H new ATOM 0 HB VAL A 78 -20.647 11.213 18.414 1.00 13.50 H new ATOM 0 HG11 VAL A 78 -20.895 13.085 17.024 1.00 12.61 H new ATOM 0 HG12 VAL A 78 -19.657 12.214 16.557 1.00 12.61 H new ATOM 0 HG13 VAL A 78 -21.026 12.132 15.766 1.00 12.61 H new ATOM 0 HG21 VAL A 78 -22.799 11.999 18.107 1.00 17.34 H new ATOM 0 HG22 VAL A 78 -22.987 10.996 16.896 1.00 17.34 H new ATOM 0 HG23 VAL A 78 -22.809 10.437 18.368 1.00 17.34 H new ATOM 1272 N LEU A 79 -19.946 8.522 18.891 1.00 7.89 N ANISOU 1272 N LEU A 79 953 891 1155 41 -110 -61 N ATOM 1273 CA LEU A 79 -19.988 7.663 20.040 1.00 8.13 C ANISOU 1273 CA LEU A 79 981 939 1168 28 -88 -80 C ATOM 1274 C LEU A 79 -19.982 8.561 21.268 1.00 7.86 C ANISOU 1274 C LEU A 79 954 890 1142 36 -79 -106 C ATOM 1275 O LEU A 79 -19.167 9.491 21.387 1.00 9.24 O ANISOU 1275 O LEU A 79 1147 1039 1326 38 -89 -104 O ATOM 1276 CB LEU A 79 -18.762 6.762 20.011 1.00 10.52 C ANISOU 1276 CB LEU A 79 1302 1248 1448 4 -86 -65 C ATOM 1277 CG LEU A 79 -18.634 5.730 21.107 1.00 10.66 C ANISOU 1277 CG LEU A 79 1323 1282 1444 -11 -66 -77 C ATOM 1278 CD1 LEU A 79 -19.773 4.730 21.089 1.00 12.52 C ANISOU 1278 CD1 LEU A 79 1539 1540 1676 -15 -53 -83 C ATOM 1279 CD2 LEU A 79 -17.316 5.016 20.920 1.00 9.37 C ANISOU 1279 CD2 LEU A 79 1178 1120 1263 -28 -71 -60 C ATOM 0 H LEU A 79 -19.196 8.935 18.806 1.00 7.89 H new ATOM 0 HA LEU A 79 -20.778 7.101 20.052 1.00 8.13 H new ATOM 0 HB2 LEU A 79 -18.751 6.298 19.159 1.00 10.52 H new ATOM 0 HB3 LEU A 79 -17.974 7.327 20.037 1.00 10.52 H new ATOM 0 HG LEU A 79 -18.670 6.178 21.966 1.00 10.66 H new ATOM 0 HD11 LEU A 79 -19.652 4.088 21.806 1.00 12.52 H new ATOM 0 HD12 LEU A 79 -20.615 5.196 21.212 1.00 12.52 H new ATOM 0 HD13 LEU A 79 -19.782 4.265 20.238 1.00 12.52 H new ATOM 0 HD21 LEU A 79 -17.209 4.346 21.613 1.00 9.37 H new ATOM 0 HD22 LEU A 79 -17.301 4.586 20.051 1.00 9.37 H new ATOM 0 HD23 LEU A 79 -16.590 5.657 20.976 1.00 9.37 H new ATOM 1291 N ALYS A 80 -20.918 8.304 22.179 0.94 8.46 N ANISOU 1291 N ALYS A 80 1016 984 1216 41 -60 -131 N ATOM 1292 CA ALYS A 80 -21.055 9.016 23.440 0.94 9.50 C ANISOU 1292 CA ALYS A 80 1151 1109 1349 50 -47 -161 C ATOM 1293 C ALYS A 80 -21.471 8.016 24.523 0.94 9.12 C ANISOU 1293 C ALYS A 80 1098 1092 1276 37 -19 -176 C ATOM 1294 O ALYS A 80 -21.752 6.856 24.255 0.94 9.00 O ANISOU 1294 O ALYS A 80 1075 1098 1248 21 -10 -164 O ATOM 1295 CB ALYS A 80 -22.142 10.098 23.341 0.94 15.24 C ANISOU 1295 CB ALYS A 80 1859 1824 2108 81 -50 -181 C ATOM 1296 CG ALYS A 80 -21.988 11.123 22.233 0.94 17.25 C ANISOU 1296 CG ALYS A 80 2118 2045 2390 99 -78 -162 C ATOM 1297 CD ALYS A 80 -23.229 11.998 22.199 0.94 16.71 C ANISOU 1297 CD ALYS A 80 2027 1969 2352 134 -81 -183 C ATOM 1298 CE ALYS A 80 -23.236 12.903 20.986 0.94 25.20 C ANISOU 1298 CE ALYS A 80 3107 3013 3454 154 -110 -158 C ATOM 1299 NZ ALYS A 80 -24.560 13.589 20.801 0.94 27.47 N ANISOU 1299 NZ ALYS A 80 3368 3297 3772 193 -118 -174 N ATOM 0 H ALYS A 80 -21.509 7.689 22.073 0.94 8.46 H new ATOM 0 HA ALYS A 80 -20.207 9.436 23.655 0.94 9.50 H new ATOM 0 HB2ALYS A 80 -22.998 9.657 23.228 0.94 15.24 H new ATOM 0 HB3ALYS A 80 -22.176 10.571 24.187 0.94 15.24 H new ATOM 0 HG2ALYS A 80 -21.199 11.666 22.385 0.94 17.25 H new ATOM 0 HG3ALYS A 80 -21.867 10.679 21.379 0.94 17.25 H new ATOM 0 HD2ALYS A 80 -24.021 11.438 22.191 0.94 16.71 H new ATOM 0 HD3ALYS A 80 -23.270 12.535 23.005 0.94 16.71 H new ATOM 0 HE2ALYS A 80 -22.537 13.570 21.077 0.94 25.20 H new ATOM 0 HE3ALYS A 80 -23.029 12.382 20.194 0.94 25.20 H new ATOM 0 HZ1ALYS A 80 -24.988 13.227 20.110 0.94 27.47 H new ATOM 0 HZ2ALYS A 80 -25.050 13.492 21.538 0.94 27.47 H new ATOM 0 HZ3ALYS A 80 -24.427 14.455 20.646 0.94 27.47 H new ATOM 1313 N GLY A 81 -21.529 8.496 25.756 1.00 11.34 N ANISOU 1313 N GLY A 81 1385 1374 1548 41 -4 -204 N ATOM 1314 CA GLY A 81 -22.005 7.654 26.833 1.00 10.54 C ANISOU 1314 CA GLY A 81 1281 1305 1420 30 26 -218 C ATOM 1315 C GLY A 81 -20.979 6.641 27.251 1.00 11.33 C ANISOU 1315 C GLY A 81 1406 1414 1486 5 28 -199 C ATOM 1316 O GLY A 81 -19.784 6.809 27.012 1.00 10.99 O ANISOU 1316 O GLY A 81 1383 1354 1439 -1 8 -185 O ATOM 0 H AGLY A 81 -21.301 9.293 25.985 0.94 11.34 H new ATOM 0 HA2 GLY A 81 -22.241 8.207 27.594 1.00 10.54 H new ATOM 0 HA3 GLY A 81 -22.813 7.197 26.552 1.00 10.54 H new ATOM 1320 N GLY A 82 -21.435 5.580 27.903 1.00 12.85 N ANISOU 1320 N GLY A 82 1597 1632 1654 -10 53 -198 N ATOM 1321 CA GLY A 82 -20.506 4.593 28.422 1.00 15.33 C ANISOU 1321 CA GLY A 82 1937 1953 1934 -30 55 -179 C ATOM 1322 C GLY A 82 -19.557 5.254 29.400 1.00 14.15 C ANISOU 1322 C GLY A 82 1812 1800 1765 -26 48 -193 C ATOM 1323 O GLY A 82 -19.990 6.015 30.280 1.00 16.43 O ANISOU 1323 O GLY A 82 2099 2095 2048 -15 60 -223 O ATOM 0 H GLY A 82 -22.266 5.416 28.053 1.00 12.85 H new ATOM 0 HA2 GLY A 82 -20.992 3.878 28.862 1.00 15.33 H new ATOM 0 HA3 GLY A 82 -20.007 4.191 27.694 1.00 15.33 H new ATOM 1327 N PRO A 83 -18.243 4.987 29.255 1.00 11.54 N ANISOU 1327 N PRO A 83 1502 1460 1424 -34 27 -175 N ATOM 1328 CA PRO A 83 -17.257 5.626 30.117 1.00 11.96 C ANISOU 1328 CA PRO A 83 1575 1509 1459 -32 14 -190 C ATOM 1329 C PRO A 83 -16.865 7.018 29.659 1.00 11.36 C ANISOU 1329 C PRO A 83 1495 1406 1415 -20 -6 -206 C ATOM 1330 O PRO A 83 -16.046 7.653 30.311 1.00 14.19 O ANISOU 1330 O PRO A 83 1868 1759 1765 -20 -19 -223 O ATOM 1331 CB PRO A 83 -16.056 4.698 29.969 1.00 11.84 C ANISOU 1331 CB PRO A 83 1577 1496 1427 -44 -1 -162 C ATOM 1332 CG PRO A 83 -16.137 4.243 28.511 1.00 10.43 C ANISOU 1332 CG PRO A 83 1384 1304 1275 -47 -9 -137 C ATOM 1333 CD PRO A 83 -17.615 4.118 28.238 1.00 9.87 C ANISOU 1333 CD PRO A 83 1293 1241 1217 -44 12 -143 C ATOM 0 HA PRO A 83 -17.593 5.744 31.019 1.00 11.96 H new ATOM 0 HB2 PRO A 83 -15.223 5.159 30.154 1.00 11.84 H new ATOM 0 HB3 PRO A 83 -16.107 3.947 30.581 1.00 11.84 H new ATOM 0 HG2 PRO A 83 -15.721 4.886 27.916 1.00 10.43 H new ATOM 0 HG3 PRO A 83 -15.680 3.398 28.379 1.00 10.43 H new ATOM 0 HD2 PRO A 83 -17.836 4.407 27.339 1.00 9.87 H new ATOM 0 HD3 PRO A 83 -17.915 3.199 28.322 1.00 9.87 H new ATOM 1341 N LEU A 84 -17.431 7.482 28.545 1.00 9.27 N ANISOU 1341 N LEU A 84 1213 1124 1186 -12 -12 -200 N ATOM 1342 CA LEU A 84 -16.927 8.672 27.889 1.00 8.56 C ANISOU 1342 CA LEU A 84 1123 1002 1128 -4 -34 -203 C ATOM 1343 C LEU A 84 -17.538 9.959 28.415 1.00 10.17 C ANISOU 1343 C LEU A 84 1324 1190 1350 14 -30 -238 C ATOM 1344 O LEU A 84 -18.729 10.032 28.737 1.00 11.86 O ANISOU 1344 O LEU A 84 1523 1416 1568 28 -11 -256 O ATOM 1345 CB LEU A 84 -17.192 8.608 26.387 1.00 7.57 C ANISOU 1345 CB LEU A 84 984 864 1029 -1 -44 -176 C ATOM 1346 CG LEU A 84 -16.625 7.363 25.683 1.00 7.06 C ANISOU 1346 CG LEU A 84 922 812 950 -17 -48 -144 C ATOM 1347 CD1 LEU A 84 -17.146 7.284 24.264 1.00 8.25 C ANISOU 1347 CD1 LEU A 84 1056 956 1121 -12 -55 -123 C ATOM 1348 CD2 LEU A 84 -15.107 7.362 25.719 1.00 7.32 C ANISOU 1348 CD2 LEU A 84 970 838 974 -30 -64 -134 C ATOM 0 H LEU A 84 -18.107 7.118 28.158 1.00 9.27 H new ATOM 0 HA LEU A 84 -15.976 8.688 28.079 1.00 8.56 H new ATOM 0 HB2 LEU A 84 -18.150 8.639 26.239 1.00 7.57 H new ATOM 0 HB3 LEU A 84 -16.815 9.399 25.971 1.00 7.57 H new ATOM 0 HG LEU A 84 -16.925 6.573 26.159 1.00 7.06 H new ATOM 0 HD11 LEU A 84 -16.783 6.497 23.829 1.00 8.25 H new ATOM 0 HD12 LEU A 84 -18.114 7.228 24.277 1.00 8.25 H new ATOM 0 HD13 LEU A 84 -16.875 8.077 23.775 1.00 8.25 H new ATOM 0 HD21 LEU A 84 -14.773 6.570 25.270 1.00 7.32 H new ATOM 0 HD22 LEU A 84 -14.772 8.153 25.269 1.00 7.32 H new ATOM 0 HD23 LEU A 84 -14.805 7.363 26.641 1.00 7.32 H new ATOM 1360 N ASP A 85 -16.686 10.966 28.449 1.00 10.72 N ANISOU 1360 N ASP A 85 1405 1232 1435 14 -48 -248 N ATOM 1361 CA AASP A 85 -17.090 12.327 28.706 0.39 14.47 C ANISOU 1361 CA AASP A 85 1880 1680 1939 32 -51 -279 C ATOM 1362 CA BASP A 85 -17.028 12.344 28.737 0.61 13.63 C ANISOU 1362 CA BASP A 85 1775 1573 1832 31 -52 -280 C ATOM 1363 C ASP A 85 -16.926 13.028 27.374 1.00 15.48 C ANISOU 1363 C ASP A 85 2006 1771 2106 36 -71 -255 C ATOM 1364 O ASP A 85 -15.817 13.122 26.808 1.00 19.04 O ANISOU 1364 O ASP A 85 2466 2206 2562 19 -88 -234 O ATOM 1365 CB AASP A 85 -16.215 12.971 29.778 0.39 17.99 C ANISOU 1365 CB AASP A 85 2344 2118 2372 25 -59 -311 C ATOM 1366 CB BASP A 85 -15.974 12.886 29.718 0.61 16.32 C ANISOU 1366 CB BASP A 85 2135 1907 2160 20 -62 -306 C ATOM 1367 CG AASP A 85 -16.517 12.447 31.166 0.39 17.21 C ANISOU 1367 CG AASP A 85 2250 2056 2231 25 -39 -338 C ATOM 1368 CG BASP A 85 -16.125 14.351 30.023 0.61 17.81 C ANISOU 1368 CG BASP A 85 2329 2060 2379 35 -68 -342 C ATOM 1369 OD1AASP A 85 -17.675 12.048 31.421 0.39 22.47 O ANISOU 1369 OD1AASP A 85 2904 2746 2889 37 -15 -345 O ATOM 1370 OD1BASP A 85 -16.994 15.011 29.430 0.61 18.69 O ANISOU 1370 OD1BASP A 85 2429 2147 2525 56 -67 -344 O ATOM 1371 OD2AASP A 85 -15.594 12.436 32.010 0.39 22.02 O ANISOU 1371 OD2AASP A 85 2877 2676 2815 13 -47 -353 O ATOM 1372 OD2BASP A 85 -15.334 14.834 30.866 0.61 19.50 O ANISOU 1372 OD2BASP A 85 2557 2268 2584 26 -77 -370 O ATOM 0 H AASP A 85 -15.841 10.873 28.321 0.39 10.72 H new ATOM 0 H BASP A 85 -15.847 10.858 28.296 0.61 10.72 H new ATOM 0 HA AASP A 85 -17.998 12.382 29.042 0.39 13.63 H new ATOM 0 HA BASP A 85 -17.901 12.478 29.137 0.61 13.63 H new ATOM 0 HB2AASP A 85 -15.282 12.808 29.570 0.39 16.32 H new ATOM 0 HB2BASP A 85 -16.028 12.385 30.547 0.61 16.32 H new ATOM 0 HB3AASP A 85 -16.345 13.932 29.763 0.39 16.32 H new ATOM 0 HB3BASP A 85 -15.091 12.730 29.349 0.61 16.32 H new ATOM 1381 N GLY A 86 -18.040 13.454 26.824 1.00 15.69 N ANISOU 1381 N GLY A 86 2017 1787 2159 59 -68 -256 N ATOM 1382 CA GLY A 86 -18.015 14.188 25.580 1.00 17.83 C ANISOU 1382 CA GLY A 86 2288 2022 2465 67 -87 -232 C ATOM 1383 C GLY A 86 -18.361 13.359 24.353 1.00 13.04 C ANISOU 1383 C GLY A 86 1668 1431 1855 66 -90 -193 C ATOM 1384 O GLY A 86 -18.878 12.240 24.454 1.00 14.58 O ANISOU 1384 O GLY A 86 1849 1662 2027 61 -77 -189 O ATOM 0 H GLY A 86 -18.824 13.329 27.154 1.00 15.69 H new ATOM 0 HA2 GLY A 86 -18.638 14.929 25.642 1.00 17.83 H new ATOM 0 HA3 GLY A 86 -17.131 14.569 25.460 1.00 17.83 H new ATOM 1388 N THR A 87 -18.114 13.955 23.193 1.00 10.49 N ANISOU 1388 N THR A 87 1349 1080 1555 69 -109 -165 N ATOM 1389 CA THR A 87 -18.576 13.433 21.917 1.00 9.88 C ANISOU 1389 CA THR A 87 1260 1014 1479 73 -116 -131 C ATOM 1390 C THR A 87 -17.380 13.017 21.092 1.00 7.55 C ANISOU 1390 C THR A 87 978 720 1171 48 -125 -97 C ATOM 1391 O THR A 87 -16.419 13.791 20.956 1.00 8.21 O ANISOU 1391 O THR A 87 1079 774 1267 37 -135 -89 O ATOM 1392 CB THR A 87 -19.295 14.548 21.144 1.00 12.68 C ANISOU 1392 CB THR A 87 1613 1337 1869 102 -132 -123 C ATOM 1393 OG1 THR A 87 -20.414 15.011 21.901 1.00 16.50 O ANISOU 1393 OG1 THR A 87 2081 1818 2369 130 -124 -159 O ATOM 1394 CG2 THR A 87 -19.789 14.069 19.790 1.00 14.00 C ANISOU 1394 CG2 THR A 87 1768 1519 2034 109 -144 -89 C ATOM 0 H THR A 87 -17.666 14.686 23.126 1.00 10.49 H new ATOM 0 HA THR A 87 -19.170 12.683 22.076 1.00 9.88 H new ATOM 0 HB THR A 87 -18.656 15.264 21.002 1.00 12.68 H new ATOM 0 HG1 THR A 87 -21.023 15.259 21.378 1.00 16.50 H new ATOM 0 HG21 THR A 87 -20.236 14.798 19.332 1.00 14.00 H new ATOM 0 HG22 THR A 87 -19.036 13.768 19.258 1.00 14.00 H new ATOM 0 HG23 THR A 87 -20.411 13.335 19.913 1.00 14.00 H new ATOM 1402 N TYR A 88 -17.430 11.812 20.551 1.00 7.31 N ANISOU 1402 N TYR A 88 938 722 1118 38 -121 -79 N ATOM 1403 CA TYR A 88 -16.317 11.272 19.778 1.00 6.86 C ANISOU 1403 CA TYR A 88 890 671 1046 16 -127 -50 C ATOM 1404 C TYR A 88 -16.806 10.924 18.373 1.00 7.88 C ANISOU 1404 C TYR A 88 1011 811 1173 23 -136 -22 C ATOM 1405 O TYR A 88 -17.749 10.152 18.200 1.00 9.04 O ANISOU 1405 O TYR A 88 1141 983 1311 31 -132 -27 O ATOM 1406 CB TYR A 88 -15.761 10.039 20.455 1.00 8.56 C ANISOU 1406 CB TYR A 88 1105 916 1231 -3 -115 -58 C ATOM 1407 CG TYR A 88 -15.012 10.278 21.768 1.00 6.06 C ANISOU 1407 CG TYR A 88 800 595 909 -12 -110 -82 C ATOM 1408 CD1 TYR A 88 -15.664 10.638 22.932 1.00 7.40 C ANISOU 1408 CD1 TYR A 88 968 764 1080 -1 -100 -114 C ATOM 1409 CD2 TYR A 88 -13.647 10.095 21.820 1.00 6.51 C ANISOU 1409 CD2 TYR A 88 865 652 956 -32 -115 -74 C ATOM 1410 CE1 TYR A 88 -14.970 10.816 24.112 1.00 7.90 C ANISOU 1410 CE1 TYR A 88 1043 828 1132 -10 -98 -137 C ATOM 1411 CE2 TYR A 88 -12.941 10.250 22.984 1.00 6.78 C ANISOU 1411 CE2 TYR A 88 907 686 981 -41 -114 -96 C ATOM 1412 CZ TYR A 88 -13.599 10.610 24.141 1.00 6.71 C ANISOU 1412 CZ TYR A 88 901 677 970 -30 -107 -128 C ATOM 1413 OH TYR A 88 -12.921 10.742 25.323 1.00 7.79 O ANISOU 1413 OH TYR A 88 1047 818 1093 -38 -108 -152 O ATOM 0 H TYR A 88 -18.105 11.283 20.619 1.00 7.31 H new ATOM 0 HA TYR A 88 -15.612 11.935 19.721 1.00 6.86 H new ATOM 0 HB2 TYR A 88 -16.494 9.428 20.628 1.00 8.56 H new ATOM 0 HB3 TYR A 88 -15.160 9.595 19.836 1.00 8.56 H new ATOM 0 HD1 TYR A 88 -16.586 10.762 22.920 1.00 7.40 H new ATOM 0 HD2 TYR A 88 -13.192 9.860 21.043 1.00 6.51 H new ATOM 0 HE1 TYR A 88 -15.420 11.073 24.884 1.00 7.90 H new ATOM 0 HE2 TYR A 88 -12.021 10.113 22.994 1.00 6.78 H new ATOM 0 HH TYR A 88 -12.209 11.169 25.192 1.00 7.79 H new ATOM 1423 N ARG A 89 -16.161 11.473 17.369 1.00 7.30 N ANISOU 1423 N ARG A 89 949 721 1105 17 -148 7 N ATOM 1424 CA ARG A 89 -16.549 11.316 15.979 1.00 7.12 C ANISOU 1424 CA ARG A 89 922 706 1076 25 -159 35 C ATOM 1425 C ARG A 89 -15.850 10.160 15.312 1.00 5.28 C ANISOU 1425 C ARG A 89 687 503 814 5 -155 50 C ATOM 1426 O ARG A 89 -14.628 10.044 15.404 1.00 6.05 O ANISOU 1426 O ARG A 89 795 599 904 -16 -149 57 O ATOM 1427 CB ARG A 89 -16.133 12.567 15.216 1.00 11.02 C ANISOU 1427 CB ARG A 89 1434 1166 1588 27 -172 63 C ATOM 1428 CG ARG A 89 -17.061 13.694 15.249 1.00 15.33 C ANISOU 1428 CG ARG A 89 1981 1680 2162 56 -184 60 C ATOM 1429 CD ARG A 89 -16.681 14.711 14.182 1.00 13.82 C ANISOU 1429 CD ARG A 89 1810 1457 1982 57 -198 99 C ATOM 1430 NE ARG A 89 -17.303 15.956 14.525 1.00 20.03 N ANISOU 1430 NE ARG A 89 2605 2202 2805 83 -209 92 N ATOM 1431 CZ ARG A 89 -16.848 17.144 14.168 1.00 16.70 C ANISOU 1431 CZ ARG A 89 2206 1732 2406 82 -217 115 C ATOM 1432 NH1 ARG A 89 -15.782 17.234 13.397 1.00 14.47 N ANISOU 1432 NH1 ARG A 89 1941 1445 2112 54 -215 150 N ATOM 1433 NH2 ARG A 89 -17.492 18.243 14.552 1.00 27.07 N ANISOU 1433 NH2 ARG A 89 3527 3004 3756 109 -227 103 N ATOM 0 H ARG A 89 -15.463 11.964 17.475 1.00 7.30 H new ATOM 0 HA ARG A 89 -17.507 11.161 15.966 1.00 7.12 H new ATOM 0 HB2 ARG A 89 -15.280 12.867 15.568 1.00 11.02 H new ATOM 0 HB3 ARG A 89 -15.987 12.322 14.289 1.00 11.02 H new ATOM 0 HG2 ARG A 89 -17.967 13.381 15.101 1.00 15.33 H new ATOM 0 HG3 ARG A 89 -17.045 14.111 16.125 1.00 15.33 H new ATOM 0 HD2 ARG A 89 -15.717 14.813 14.137 1.00 13.82 H new ATOM 0 HD3 ARG A 89 -16.976 14.413 13.307 1.00 13.82 H new ATOM 0 HE ARG A 89 -18.022 15.928 14.996 1.00 20.03 H new ATOM 0 HH11 ARG A 89 -15.385 16.520 13.128 1.00 14.47 H new ATOM 0 HH12 ARG A 89 -15.484 18.006 13.163 1.00 14.47 H new ATOM 0 HH21 ARG A 89 -18.203 18.179 15.032 1.00 27.07 H new ATOM 0 HH22 ARG A 89 -17.197 19.017 14.321 1.00 27.07 H new ATOM 1447 N LEU A 90 -16.585 9.346 14.577 1.00 6.39 N ANISOU 1447 N LEU A 90 816 671 941 12 -158 55 N ATOM 1448 CA LEU A 90 -16.011 8.248 13.820 1.00 6.54 C ANISOU 1448 CA LEU A 90 834 718 935 -4 -155 67 C ATOM 1449 C LEU A 90 -15.173 8.756 12.678 1.00 6.15 C ANISOU 1449 C LEU A 90 798 662 877 -11 -162 98 C ATOM 1450 O LEU A 90 -15.636 9.559 11.843 1.00 7.46 O ANISOU 1450 O LEU A 90 969 817 1048 2 -176 119 O ATOM 1451 CB LEU A 90 -17.121 7.362 13.252 1.00 7.20 C ANISOU 1451 CB LEU A 90 900 828 1007 6 -160 60 C ATOM 1452 CG LEU A 90 -16.705 6.160 12.413 1.00 7.21 C ANISOU 1452 CG LEU A 90 900 858 983 -8 -158 66 C ATOM 1453 CD1 LEU A 90 -15.919 5.110 13.219 1.00 8.42 C ANISOU 1453 CD1 LEU A 90 1055 1018 1126 -26 -142 52 C ATOM 1454 CD2 LEU A 90 -17.940 5.504 11.787 1.00 9.58 C ANISOU 1454 CD2 LEU A 90 1181 1182 1278 2 -168 58 C ATOM 0 H LEU A 90 -17.439 9.415 14.502 1.00 6.39 H new ATOM 0 HA LEU A 90 -15.451 7.737 14.425 1.00 6.54 H new ATOM 0 HB2 LEU A 90 -17.654 7.038 13.995 1.00 7.20 H new ATOM 0 HB3 LEU A 90 -17.700 7.919 12.709 1.00 7.20 H new ATOM 0 HG LEU A 90 -16.114 6.494 11.721 1.00 7.21 H new ATOM 0 HD11 LEU A 90 -15.680 4.370 12.640 1.00 8.42 H new ATOM 0 HD12 LEU A 90 -15.113 5.513 13.577 1.00 8.42 H new ATOM 0 HD13 LEU A 90 -16.468 4.784 13.949 1.00 8.42 H new ATOM 0 HD21 LEU A 90 -17.666 4.740 11.255 1.00 9.58 H new ATOM 0 HD22 LEU A 90 -18.541 5.210 12.489 1.00 9.58 H new ATOM 0 HD23 LEU A 90 -18.395 6.146 11.220 1.00 9.58 H new ATOM 1466 N ILE A 91 -13.936 8.309 12.621 1.00 6.14 N ANISOU 1466 N ILE A 91 802 668 862 -32 -152 103 N ATOM 1467 CA ILE A 91 -13.027 8.655 11.532 1.00 7.13 C ANISOU 1467 CA ILE A 91 939 795 977 -44 -153 133 C ATOM 1468 C ILE A 91 -12.757 7.476 10.579 1.00 6.01 C ANISOU 1468 C ILE A 91 791 689 804 -50 -149 137 C ATOM 1469 O ILE A 91 -12.730 7.644 9.358 1.00 6.07 O ANISOU 1469 O ILE A 91 804 708 795 -49 -154 161 O ATOM 1470 CB ILE A 91 -11.705 9.331 12.054 1.00 6.50 C ANISOU 1470 CB ILE A 91 867 694 909 -65 -144 136 C ATOM 1471 CG1 ILE A 91 -10.744 9.595 10.891 1.00 7.63 C ANISOU 1471 CG1 ILE A 91 1018 843 1039 -81 -139 167 C ATOM 1472 CG2 ILE A 91 -11.007 8.504 13.098 1.00 7.65 C ANISOU 1472 CG2 ILE A 91 1004 850 1051 -76 -134 111 C ATOM 1473 CD1 ILE A 91 -9.565 10.463 11.277 1.00 11.27 C ANISOU 1473 CD1 ILE A 91 1485 1280 1518 -104 -132 173 C ATOM 0 H ILE A 91 -13.590 7.792 13.214 1.00 6.14 H new ATOM 0 HA ILE A 91 -13.485 9.323 10.998 1.00 7.13 H new ATOM 0 HB ILE A 91 -11.966 10.169 12.466 1.00 6.50 H new ATOM 0 HG12 ILE A 91 -10.417 8.748 10.551 1.00 7.63 H new ATOM 0 HG13 ILE A 91 -11.230 10.022 10.168 1.00 7.63 H new ATOM 0 HG21 ILE A 91 -10.201 8.960 13.387 1.00 7.65 H new ATOM 0 HG22 ILE A 91 -11.597 8.377 13.858 1.00 7.65 H new ATOM 0 HG23 ILE A 91 -10.772 7.641 12.723 1.00 7.65 H new ATOM 0 HD11 ILE A 91 -8.994 10.595 10.504 1.00 11.27 H new ATOM 0 HD12 ILE A 91 -9.885 11.322 11.593 1.00 11.27 H new ATOM 0 HD13 ILE A 91 -9.060 10.028 11.981 1.00 11.27 H new ATOM 1485 N GLN A 92 -12.571 6.271 11.112 1.00 6.33 N ANISOU 1485 N GLN A 92 821 747 835 -56 -140 114 N ATOM 1486 CA GLN A 92 -12.322 5.107 10.261 1.00 5.38 C ANISOU 1486 CA GLN A 92 697 657 690 -60 -136 113 C ATOM 1487 C GLN A 92 -12.577 3.856 11.055 1.00 4.68 C ANISOU 1487 C GLN A 92 600 578 601 -60 -130 86 C ATOM 1488 O GLN A 92 -12.533 3.879 12.302 1.00 6.05 O ANISOU 1488 O GLN A 92 773 737 788 -62 -125 72 O ATOM 1489 CB GLN A 92 -10.900 5.114 9.723 1.00 6.33 C ANISOU 1489 CB GLN A 92 820 786 798 -76 -126 126 C ATOM 1490 CG GLN A 92 -9.796 5.298 10.747 1.00 8.18 C ANISOU 1490 CG GLN A 92 1054 1007 1047 -89 -116 118 C ATOM 1491 CD GLN A 92 -9.113 4.013 11.202 1.00 6.11 C ANISOU 1491 CD GLN A 92 784 762 777 -92 -108 98 C ATOM 1492 OE1 GLN A 92 -9.602 2.905 11.029 1.00 6.66 O ANISOU 1492 OE1 GLN A 92 850 846 835 -85 -108 86 O ATOM 1493 NE2 GLN A 92 -7.986 4.181 11.852 1.00 9.72 N ANISOU 1493 NE2 GLN A 92 1238 1214 1243 -103 -102 94 N ATOM 0 H GLN A 92 -12.585 6.105 11.956 1.00 6.33 H new ATOM 0 HA GLN A 92 -12.922 5.139 9.499 1.00 5.38 H new ATOM 0 HB2 GLN A 92 -10.747 4.277 9.257 1.00 6.33 H new ATOM 0 HB3 GLN A 92 -10.827 5.823 9.065 1.00 6.33 H new ATOM 0 HG2 GLN A 92 -9.124 5.890 10.374 1.00 8.18 H new ATOM 0 HG3 GLN A 92 -10.167 5.743 11.525 1.00 8.18 H new ATOM 0 HE21 GLN A 92 -7.665 4.972 11.959 1.00 9.72 H new ATOM 0 HE22 GLN A 92 -7.568 3.500 12.171 1.00 9.72 H new ATOM 1502 N PHE A 93 -12.831 2.762 10.349 1.00 4.92 N ANISOU 1502 N PHE A 93 625 631 614 -60 -131 78 N ATOM 1503 CA PHE A 93 -12.692 1.453 10.958 1.00 4.84 C ANISOU 1503 CA PHE A 93 610 626 602 -64 -122 57 C ATOM 1504 C PHE A 93 -11.755 0.590 10.154 1.00 4.62 C ANISOU 1504 C PHE A 93 583 616 555 -69 -116 55 C ATOM 1505 O PHE A 93 -11.540 0.795 8.950 1.00 5.45 O ANISOU 1505 O PHE A 93 690 738 644 -69 -119 67 O ATOM 1506 CB PHE A 93 -14.045 0.749 11.202 1.00 4.68 C ANISOU 1506 CB PHE A 93 582 609 587 -60 -125 40 C ATOM 1507 CG PHE A 93 -14.775 0.296 9.962 1.00 5.21 C ANISOU 1507 CG PHE A 93 642 697 640 -56 -136 37 C ATOM 1508 CD1 PHE A 93 -14.390 -0.862 9.277 1.00 5.42 C ANISOU 1508 CD1 PHE A 93 669 739 651 -62 -133 26 C ATOM 1509 CD2 PHE A 93 -15.934 0.958 9.531 1.00 5.66 C ANISOU 1509 CD2 PHE A 93 690 758 701 -46 -150 40 C ATOM 1510 CE1 PHE A 93 -15.083 -1.286 8.171 1.00 5.41 C ANISOU 1510 CE1 PHE A 93 661 758 635 -60 -144 18 C ATOM 1511 CE2 PHE A 93 -16.623 0.506 8.433 1.00 5.46 C ANISOU 1511 CE2 PHE A 93 657 756 662 -42 -163 35 C ATOM 1512 CZ PHE A 93 -16.203 -0.617 7.762 1.00 5.39 C ANISOU 1512 CZ PHE A 93 649 763 634 -51 -160 23 C ATOM 0 H PHE A 93 -13.082 2.757 9.526 1.00 4.92 H new ATOM 0 HA PHE A 93 -12.306 1.592 11.837 1.00 4.84 H new ATOM 0 HB2 PHE A 93 -13.892 -0.023 11.769 1.00 4.68 H new ATOM 0 HB3 PHE A 93 -14.622 1.353 11.695 1.00 4.68 H new ATOM 0 HD1 PHE A 93 -13.656 -1.350 9.575 1.00 5.42 H new ATOM 0 HD2 PHE A 93 -16.237 1.707 9.991 1.00 5.66 H new ATOM 0 HE1 PHE A 93 -14.790 -2.031 7.698 1.00 5.41 H new ATOM 0 HE2 PHE A 93 -17.379 0.963 8.142 1.00 5.46 H new ATOM 0 HZ PHE A 93 -16.683 -0.923 7.026 1.00 5.39 H new ATOM 1522 N HIS A 94 -11.220 -0.411 10.838 1.00 4.40 N ANISOU 1522 N HIS A 94 556 586 530 -72 -108 41 N ATOM 1523 CA HIS A 94 -10.348 -1.413 10.226 1.00 5.13 C ANISOU 1523 CA HIS A 94 647 692 608 -73 -102 33 C ATOM 1524 C HIS A 94 -10.391 -2.672 11.082 1.00 4.19 C ANISOU 1524 C HIS A 94 532 564 498 -72 -98 15 C ATOM 1525 O HIS A 94 -11.021 -2.690 12.144 1.00 5.07 O ANISOU 1525 O HIS A 94 645 660 621 -73 -98 12 O ATOM 1526 CB HIS A 94 -8.905 -0.905 10.135 1.00 5.37 C ANISOU 1526 CB HIS A 94 677 728 637 -78 -95 43 C ATOM 1527 CG HIS A 94 -8.326 -0.636 11.483 1.00 4.64 C ANISOU 1527 CG HIS A 94 584 618 560 -79 -94 42 C ATOM 1528 ND1 HIS A 94 -8.442 0.585 12.096 1.00 4.91 N ANISOU 1528 ND1 HIS A 94 621 638 608 -84 -97 52 N ATOM 1529 CD2 HIS A 94 -7.737 -1.453 12.386 1.00 4.88 C ANISOU 1529 CD2 HIS A 94 614 643 595 -76 -92 30 C ATOM 1530 CE1 HIS A 94 -7.917 0.507 13.313 1.00 5.39 C ANISOU 1530 CE1 HIS A 94 683 689 678 -84 -97 45 C ATOM 1531 NE2 HIS A 94 -7.508 -0.729 13.527 1.00 5.16 N ANISOU 1531 NE2 HIS A 94 652 665 643 -79 -95 33 N ATOM 0 H HIS A 94 -11.352 -0.532 11.679 1.00 4.40 H new ATOM 0 HA HIS A 94 -10.658 -1.599 9.326 1.00 5.13 H new ATOM 0 HB2 HIS A 94 -8.360 -1.561 9.674 1.00 5.37 H new ATOM 0 HB3 HIS A 94 -8.881 -0.093 9.605 1.00 5.37 H new ATOM 0 HD1 HIS A 94 -8.797 1.287 11.749 1.00 4.91 H new ATOM 0 HD2 HIS A 94 -7.525 -2.349 12.255 1.00 4.88 H new ATOM 0 HE1 HIS A 94 -7.849 1.210 13.917 1.00 5.39 H new ATOM 1539 N PHE A 95 -9.746 -3.736 10.604 1.00 4.58 N ANISOU 1539 N PHE A 95 581 622 539 -69 -93 3 N ATOM 1540 CA PHE A 95 -9.662 -5.002 11.297 1.00 4.50 C ANISOU 1540 CA PHE A 95 576 598 536 -66 -90 -11 C ATOM 1541 C PHE A 95 -8.207 -5.406 11.469 1.00 4.85 C ANISOU 1541 C PHE A 95 620 644 580 -59 -86 -13 C ATOM 1542 O PHE A 95 -7.311 -4.938 10.768 1.00 5.76 O ANISOU 1542 O PHE A 95 725 776 686 -58 -82 -9 O ATOM 1543 CB PHE A 95 -10.378 -6.114 10.486 1.00 5.00 C ANISOU 1543 CB PHE A 95 640 664 595 -67 -91 -30 C ATOM 1544 CG PHE A 95 -11.830 -5.837 10.160 1.00 4.67 C ANISOU 1544 CG PHE A 95 594 626 553 -74 -98 -32 C ATOM 1545 CD1 PHE A 95 -12.169 -5.014 9.096 1.00 5.28 C ANISOU 1545 CD1 PHE A 95 664 724 617 -73 -105 -26 C ATOM 1546 CD2 PHE A 95 -12.836 -6.487 10.828 1.00 5.68 C ANISOU 1546 CD2 PHE A 95 723 739 695 -81 -97 -42 C ATOM 1547 CE1 PHE A 95 -13.483 -4.796 8.760 1.00 5.93 C ANISOU 1547 CE1 PHE A 95 740 814 701 -76 -115 -29 C ATOM 1548 CE2 PHE A 95 -14.145 -6.270 10.483 1.00 5.63 C ANISOU 1548 CE2 PHE A 95 708 741 692 -87 -103 -47 C ATOM 1549 CZ PHE A 95 -14.464 -5.407 9.449 1.00 6.51 C ANISOU 1549 CZ PHE A 95 809 873 790 -83 -114 -42 C ATOM 0 H PHE A 95 -9.337 -3.733 9.847 1.00 4.58 H new ATOM 0 HA PHE A 95 -10.088 -4.898 12.162 1.00 4.50 H new ATOM 0 HB2 PHE A 95 -9.895 -6.252 9.656 1.00 5.00 H new ATOM 0 HB3 PHE A 95 -10.326 -6.944 10.985 1.00 5.00 H new ATOM 0 HD1 PHE A 95 -11.496 -4.603 8.602 1.00 5.28 H new ATOM 0 HD2 PHE A 95 -12.630 -7.077 11.517 1.00 5.68 H new ATOM 0 HE1 PHE A 95 -13.695 -4.226 8.056 1.00 5.93 H new ATOM 0 HE2 PHE A 95 -14.823 -6.706 10.947 1.00 5.63 H new ATOM 0 HZ PHE A 95 -15.354 -5.250 9.231 1.00 6.51 H new ATOM 1559 N HIS A 96 -8.029 -6.343 12.390 1.00 4.51 N ANISOU 1559 N HIS A 96 584 583 545 -53 -86 -20 N ATOM 1560 CA HIS A 96 -6.824 -7.137 12.554 1.00 4.88 C ANISOU 1560 CA HIS A 96 631 629 595 -40 -85 -27 C ATOM 1561 C HIS A 96 -7.239 -8.592 12.463 1.00 5.24 C ANISOU 1561 C HIS A 96 688 658 646 -35 -84 -42 C ATOM 1562 O HIS A 96 -8.311 -8.940 12.956 1.00 5.37 O ANISOU 1562 O HIS A 96 715 657 668 -44 -83 -42 O ATOM 1563 CB HIS A 96 -6.178 -6.868 13.923 1.00 5.33 C ANISOU 1563 CB HIS A 96 690 675 659 -36 -90 -17 C ATOM 1564 CG HIS A 96 -5.914 -5.424 14.168 1.00 5.09 C ANISOU 1564 CG HIS A 96 651 655 628 -44 -92 -5 C ATOM 1565 ND1 HIS A 96 -4.697 -4.849 13.907 1.00 5.85 N ANISOU 1565 ND1 HIS A 96 733 767 724 -43 -91 -3 N ATOM 1566 CD2 HIS A 96 -6.699 -4.421 14.637 1.00 5.48 C ANISOU 1566 CD2 HIS A 96 704 699 679 -55 -93 4 C ATOM 1567 CE1 HIS A 96 -4.747 -3.553 14.180 1.00 5.48 C ANISOU 1567 CE1 HIS A 96 682 721 679 -55 -93 7 C ATOM 1568 NE2 HIS A 96 -5.957 -3.266 14.608 1.00 5.35 N ANISOU 1568 NE2 HIS A 96 677 691 664 -60 -95 11 N ATOM 0 H HIS A 96 -8.638 -6.542 12.964 1.00 4.51 H new ATOM 0 HA HIS A 96 -6.174 -6.910 11.871 1.00 4.88 H new ATOM 0 HB2 HIS A 96 -6.759 -7.208 14.621 1.00 5.33 H new ATOM 0 HB3 HIS A 96 -5.344 -7.359 13.983 1.00 5.33 H new ATOM 0 HD1 HIS A 96 -4.006 -5.266 13.611 1.00 5.85 H new ATOM 0 HD2 HIS A 96 -7.579 -4.501 14.926 1.00 5.48 H new ATOM 0 HE1 HIS A 96 -4.046 -2.949 14.085 1.00 5.48 H new ATOM 1576 N TRP A 97 -6.452 -9.446 11.798 1.00 5.02 N ANISOU 1576 N TRP A 97 656 633 617 -22 -81 -58 N ATOM 1577 CA TRP A 97 -6.848 -10.818 11.592 1.00 6.17 C ANISOU 1577 CA TRP A 97 814 759 770 -18 -81 -75 C ATOM 1578 C TRP A 97 -5.629 -11.726 11.476 1.00 5.82 C ANISOU 1578 C TRP A 97 769 710 733 5 -80 -89 C ATOM 1579 O TRP A 97 -4.483 -11.273 11.376 1.00 5.58 O ANISOU 1579 O TRP A 97 723 699 698 16 -80 -87 O ATOM 1580 CB TRP A 97 -7.743 -10.953 10.354 1.00 5.23 C ANISOU 1580 CB TRP A 97 693 652 643 -29 -79 -92 C ATOM 1581 CG TRP A 97 -7.098 -10.557 9.064 1.00 5.79 C ANISOU 1581 CG TRP A 97 749 756 695 -24 -75 -101 C ATOM 1582 CD1 TRP A 97 -6.417 -11.369 8.209 1.00 6.43 C ANISOU 1582 CD1 TRP A 97 826 846 771 -11 -70 -125 C ATOM 1583 CD2 TRP A 97 -7.050 -9.246 8.496 1.00 5.34 C ANISOU 1583 CD2 TRP A 97 680 728 620 -31 -73 -86 C ATOM 1584 NE1 TRP A 97 -5.958 -10.647 7.144 1.00 6.17 N ANISOU 1584 NE1 TRP A 97 780 850 715 -11 -64 -126 N ATOM 1585 CE2 TRP A 97 -6.332 -9.340 7.304 1.00 5.33 C ANISOU 1585 CE2 TRP A 97 670 755 602 -25 -66 -99 C ATOM 1586 CE3 TRP A 97 -7.536 -7.991 8.890 1.00 5.06 C ANISOU 1586 CE3 TRP A 97 642 695 583 -43 -77 -63 C ATOM 1587 CZ2 TRP A 97 -6.136 -8.248 6.472 1.00 5.89 C ANISOU 1587 CZ2 TRP A 97 731 856 651 -32 -62 -86 C ATOM 1588 CZ3 TRP A 97 -7.324 -6.900 8.057 1.00 6.12 C ANISOU 1588 CZ3 TRP A 97 767 856 700 -48 -75 -50 C ATOM 1589 CH2 TRP A 97 -6.621 -7.034 6.863 1.00 7.12 C ANISOU 1589 CH2 TRP A 97 887 1010 807 -44 -67 -59 C ATOM 0 H TRP A 97 -5.687 -9.239 11.463 1.00 5.02 H new ATOM 0 HA TRP A 97 -7.361 -11.097 12.366 1.00 6.17 H new ATOM 0 HB2 TRP A 97 -8.038 -11.874 10.283 1.00 5.23 H new ATOM 0 HB3 TRP A 97 -8.536 -10.410 10.484 1.00 5.23 H new ATOM 0 HD1 TRP A 97 -6.284 -12.281 8.332 1.00 6.43 H new ATOM 0 HE1 TRP A 97 -5.508 -10.962 6.482 1.00 6.17 H new ATOM 0 HE3 TRP A 97 -7.992 -7.891 9.694 1.00 5.06 H new ATOM 0 HZ2 TRP A 97 -5.684 -8.341 5.665 1.00 5.89 H new ATOM 0 HZ3 TRP A 97 -7.657 -6.067 8.301 1.00 6.12 H new ATOM 0 HH2 TRP A 97 -6.480 -6.288 6.326 1.00 7.12 H new ATOM 1600 N GLY A 98 -5.902 -13.014 11.502 1.00 5.86 N ANISOU 1600 N GLY A 98 789 687 749 11 -81 -103 N ATOM 1601 CA GLY A 98 -4.876 -14.035 11.526 1.00 6.13 C ANISOU 1601 CA GLY A 98 826 708 795 36 -83 -117 C ATOM 1602 C GLY A 98 -4.675 -14.758 10.224 1.00 6.59 C ANISOU 1602 C GLY A 98 878 773 851 45 -77 -149 C ATOM 1603 O GLY A 98 -5.416 -14.589 9.248 1.00 7.59 O ANISOU 1603 O GLY A 98 1002 916 965 30 -73 -163 O ATOM 0 H GLY A 98 -6.703 -13.327 11.506 1.00 5.86 H new ATOM 0 HA2 GLY A 98 -4.036 -13.626 11.787 1.00 6.13 H new ATOM 0 HA3 GLY A 98 -5.100 -14.684 12.211 1.00 6.13 H new ATOM 1607 N SER A 99 -3.652 -15.606 10.221 1.00 6.43 N ANISOU 1607 N SER A 99 858 743 843 73 -78 -164 N ATOM 1608 CA SER A 99 -3.458 -16.565 9.137 1.00 7.13 C ANISOU 1608 CA SER A 99 946 829 934 86 -73 -201 C ATOM 1609 C SER A 99 -4.299 -17.814 9.290 1.00 8.83 C ANISOU 1609 C SER A 99 1188 997 1169 82 -77 -214 C ATOM 1610 O SER A 99 -4.422 -18.581 8.319 1.00 10.07 O ANISOU 1610 O SER A 99 1348 1150 1328 86 -73 -249 O ATOM 1611 CB SER A 99 -1.985 -16.954 9.039 1.00 7.53 C ANISOU 1611 CB SER A 99 981 889 992 120 -72 -215 C ATOM 1612 OG SER A 99 -1.472 -17.346 10.301 1.00 8.87 O ANISOU 1612 OG SER A 99 1161 1029 1182 139 -84 -196 O ATOM 0 H SER A 99 -3.056 -15.643 10.840 1.00 6.43 H new ATOM 0 HA SER A 99 -3.747 -16.123 8.323 1.00 7.13 H new ATOM 0 HB2 SER A 99 -1.882 -17.681 8.405 1.00 7.53 H new ATOM 0 HB3 SER A 99 -1.472 -16.205 8.697 1.00 7.53 H new ATOM 0 HG SER A 99 -1.050 -16.706 10.643 1.00 8.87 H new ATOM 1618 N LEU A 100 -4.856 -18.013 10.485 1.00 8.59 N ANISOU 1618 N LEU A 100 1179 932 1153 73 -83 -188 N ATOM 1619 CA LEU A 100 -5.641 -19.187 10.861 1.00 9.81 C ANISOU 1619 CA LEU A 100 1362 1035 1330 65 -85 -193 C ATOM 1620 C LEU A 100 -6.772 -18.706 11.730 1.00 8.75 C ANISOU 1620 C LEU A 100 1238 892 1194 34 -84 -163 C ATOM 1621 O LEU A 100 -6.639 -17.663 12.374 1.00 8.80 O ANISOU 1621 O LEU A 100 1235 921 1186 31 -85 -137 O ATOM 1622 CB LEU A 100 -4.789 -20.139 11.712 1.00 12.94 C ANISOU 1622 CB LEU A 100 1777 1391 1749 95 -92 -184 C ATOM 1623 CG LEU A 100 -3.486 -20.626 11.096 1.00 15.20 C ANISOU 1623 CG LEU A 100 2050 1685 2042 134 -95 -211 C ATOM 1624 CD1 LEU A 100 -2.586 -21.228 12.158 1.00 20.83 C ANISOU 1624 CD1 LEU A 100 2777 2366 2773 167 -107 -192 C ATOM 1625 CD2 LEU A 100 -3.856 -21.645 10.033 1.00 17.27 C ANISOU 1625 CD2 LEU A 100 2320 1925 2315 134 -89 -253 C ATOM 0 H LEU A 100 -4.783 -17.443 11.125 1.00 8.59 H new ATOM 0 HA LEU A 100 -5.951 -19.645 10.064 1.00 9.81 H new ATOM 0 HB2 LEU A 100 -4.581 -19.693 12.548 1.00 12.94 H new ATOM 0 HB3 LEU A 100 -5.329 -20.915 11.931 1.00 12.94 H new ATOM 0 HG LEU A 100 -2.990 -19.893 10.699 1.00 15.20 H new ATOM 0 HD11 LEU A 100 -1.761 -21.533 11.749 1.00 20.83 H new ATOM 0 HD12 LEU A 100 -2.385 -20.558 12.830 1.00 20.83 H new ATOM 0 HD13 LEU A 100 -3.036 -21.979 12.576 1.00 20.83 H new ATOM 0 HD21 LEU A 100 -3.049 -21.982 9.613 1.00 17.27 H new ATOM 0 HD22 LEU A 100 -4.338 -22.380 10.443 1.00 17.27 H new ATOM 0 HD23 LEU A 100 -4.417 -21.225 9.363 1.00 17.27 H new ATOM 1637 N ASP A 101 -7.869 -19.450 11.797 1.00 8.70 N ANISOU 1637 N ASP A 101 1249 852 1202 11 -81 -169 N ATOM 1638 CA ASP A 101 -9.047 -18.968 12.496 1.00 8.74 C ANISOU 1638 CA ASP A 101 1260 857 1206 -20 -76 -147 C ATOM 1639 C ASP A 101 -8.827 -18.840 13.998 1.00 9.71 C ANISOU 1639 C ASP A 101 1398 961 1329 -16 -76 -108 C ATOM 1640 O ASP A 101 -9.545 -18.088 14.673 1.00 12.27 O ANISOU 1640 O ASP A 101 1720 1298 1644 -36 -71 -87 O ATOM 1641 CB ASP A 101 -10.261 -19.880 12.250 1.00 10.18 C ANISOU 1641 CB ASP A 101 1454 1006 1407 -49 -71 -164 C ATOM 1642 CG ASP A 101 -10.731 -19.917 10.815 1.00 13.20 C ANISOU 1642 CG ASP A 101 1819 1411 1785 -59 -73 -204 C ATOM 1643 OD1 ASP A 101 -10.364 -19.085 9.980 1.00 13.11 O ANISOU 1643 OD1 ASP A 101 1786 1446 1751 -49 -76 -213 O ATOM 1644 OD2 ASP A 101 -11.581 -20.783 10.515 1.00 18.36 O ANISOU 1644 OD2 ASP A 101 2482 2038 2457 -80 -71 -225 O ATOM 0 H ASP A 101 -7.950 -20.231 11.446 1.00 8.70 H new ATOM 0 HA ASP A 101 -9.222 -18.085 12.134 1.00 8.74 H new ATOM 0 HB2 ASP A 101 -10.037 -20.782 12.529 1.00 10.18 H new ATOM 0 HB3 ASP A 101 -10.994 -19.583 12.812 1.00 10.18 H new ATOM 1649 N GLY A 102 -7.843 -19.538 14.550 1.00 9.73 N ANISOU 1649 N GLY A 102 1418 937 1341 12 -83 -99 N ATOM 1650 CA GLY A 102 -7.578 -19.489 15.976 1.00 11.85 C ANISOU 1650 CA GLY A 102 1705 1191 1606 19 -87 -62 C ATOM 1651 C GLY A 102 -6.699 -18.366 16.477 1.00 9.52 C ANISOU 1651 C GLY A 102 1393 934 1291 36 -95 -46 C ATOM 1652 O GLY A 102 -6.350 -18.365 17.660 1.00 10.81 O ANISOU 1652 O GLY A 102 1572 1088 1448 46 -102 -18 O ATOM 0 H GLY A 102 -7.313 -20.051 14.108 1.00 9.73 H new ATOM 0 HA2 GLY A 102 -8.429 -19.434 16.438 1.00 11.85 H new ATOM 0 HA3 GLY A 102 -7.169 -20.329 16.235 1.00 11.85 H new ATOM 1656 N GLN A 103 -6.393 -17.397 15.619 1.00 8.26 N ANISOU 1656 N GLN A 103 1202 817 1119 37 -95 -62 N ATOM 1657 CA AGLN A 103 -5.659 -16.214 16.028 0.62 6.36 C ANISOU 1657 CA AGLN A 103 943 612 861 45 -101 -48 C ATOM 1658 CA BGLN A 103 -5.660 -16.214 16.031 0.38 7.62 C ANISOU 1658 CA BGLN A 103 1103 772 1021 45 -101 -48 C ATOM 1659 C GLN A 103 -6.068 -15.053 15.140 1.00 6.17 C ANISOU 1659 C GLN A 103 894 627 825 27 -95 -59 C ATOM 1660 O GLN A 103 -6.649 -15.261 14.059 1.00 7.23 O ANISOU 1660 O GLN A 103 1021 765 960 16 -88 -80 O ATOM 1661 CB AGLN A 103 -4.156 -16.465 15.945 0.62 8.21 C ANISOU 1661 CB AGLN A 103 1166 853 1099 81 -113 -55 C ATOM 1662 CB BGLN A 103 -4.149 -16.463 15.975 0.38 8.59 C ANISOU 1662 CB BGLN A 103 1214 901 1147 81 -113 -55 C ATOM 1663 CG AGLN A 103 -3.663 -16.633 14.529 0.62 9.04 C ANISOU 1663 CG AGLN A 103 1250 976 1209 91 -108 -87 C ATOM 1664 CG BGLN A 103 -3.619 -16.769 14.589 0.38 9.68 C ANISOU 1664 CG BGLN A 103 1333 1053 1291 93 -109 -87 C ATOM 1665 CD AGLN A 103 -2.394 -17.435 14.465 0.62 9.55 C ANISOU 1665 CD AGLN A 103 1310 1031 1286 129 -117 -100 C ATOM 1666 CD BGLN A 103 -2.161 -17.192 14.604 0.38 15.13 C ANISOU 1666 CD BGLN A 103 2012 1746 1990 132 -119 -96 C ATOM 1667 OE1AGLN A 103 -2.347 -18.552 14.973 0.62 9.60 O ANISOU 1667 OE1AGLN A 103 1342 997 1310 146 -124 -96 O ATOM 1668 OE1BGLN A 103 -1.652 -17.687 15.622 0.38 14.57 O ANISOU 1668 OE1BGLN A 103 1955 1653 1926 153 -132 -79 O ATOM 1669 NE2AGLN A 103 -1.325 -16.848 13.913 0.62 9.08 N ANISOU 1669 NE2AGLN A 103 1218 1010 1220 144 -117 -113 N ATOM 1670 NE2BGLN A 103 -1.473 -16.993 13.476 0.38 10.97 N ANISOU 1670 NE2BGLN A 103 1458 1250 1461 142 -112 -122 N ATOM 0 H AGLN A 103 -6.606 -17.410 14.786 0.62 8.26 H new ATOM 0 H BGLN A 103 -6.605 -17.410 14.786 0.38 8.26 H new ATOM 0 HA AGLN A 103 -5.869 -15.999 16.950 0.62 7.62 H new ATOM 0 HA BGLN A 103 -5.876 -15.997 16.952 0.38 7.62 H new ATOM 0 HB2AGLN A 103 -3.686 -15.725 16.360 0.62 8.59 H new ATOM 0 HB2BGLN A 103 -3.690 -15.681 16.320 0.38 8.59 H new ATOM 0 HB3AGLN A 103 -3.938 -17.261 16.455 0.62 8.59 H new ATOM 0 HB3BGLN A 103 -3.932 -17.203 16.564 0.38 8.59 H new ATOM 0 HG2AGLN A 103 -4.348 -17.070 13.999 0.62 9.68 H new ATOM 0 HG2BGLN A 103 -4.153 -17.474 14.190 0.38 9.68 H new ATOM 0 HG3AGLN A 103 -3.513 -15.760 14.134 0.62 9.68 H new ATOM 0 HG3BGLN A 103 -3.719 -15.985 14.027 0.38 9.68 H new ATOM 0 HE21AGLN A 103 -1.396 -16.064 13.566 0.62 10.97 H new ATOM 0 HE21BGLN A 103 -1.861 -16.647 12.791 0.38 10.97 H new ATOM 0 HE22AGLN A 103 -0.567 -17.255 13.905 0.62 10.97 H new ATOM 0 HE22BGLN A 103 -0.642 -17.211 13.435 0.38 10.97 H new ATOM 1687 N GLY A 104 -5.757 -13.845 15.589 1.00 5.92 N ANISOU 1687 N GLY A 104 847 622 779 24 -98 -45 N ATOM 1688 CA GLY A 104 -6.084 -12.671 14.805 1.00 5.79 C ANISOU 1688 CA GLY A 104 810 638 752 9 -92 -50 C ATOM 1689 C GLY A 104 -6.518 -11.471 15.626 1.00 5.28 C ANISOU 1689 C GLY A 104 743 585 678 -5 -93 -31 C ATOM 1690 O GLY A 104 -6.263 -10.334 15.251 1.00 6.30 O ANISOU 1690 O GLY A 104 854 739 799 -10 -93 -30 O ATOM 0 H GLY A 104 -5.361 -13.687 16.336 1.00 5.92 H new ATOM 0 HA2 GLY A 104 -5.310 -12.424 14.275 1.00 5.79 H new ATOM 0 HA3 GLY A 104 -6.793 -12.898 14.183 1.00 5.79 H new ATOM 1694 N SER A 105 -7.205 -11.727 16.740 1.00 5.54 N ANISOU 1694 N SER A 105 796 598 712 -13 -92 -17 N ATOM 1695 CA SER A 105 -7.594 -10.626 17.577 1.00 5.17 C ANISOU 1695 CA SER A 105 747 563 656 -24 -91 -3 C ATOM 1696 C SER A 105 -6.408 -10.053 18.343 1.00 5.51 C ANISOU 1696 C SER A 105 785 617 692 -9 -103 5 C ATOM 1697 O SER A 105 -5.372 -10.708 18.536 1.00 6.09 O ANISOU 1697 O SER A 105 861 685 767 11 -112 5 O ATOM 1698 CB SER A 105 -8.706 -11.001 18.541 1.00 5.81 C ANISOU 1698 CB SER A 105 847 625 736 -39 -82 8 C ATOM 1699 OG SER A 105 -8.326 -11.952 19.514 1.00 6.10 O ANISOU 1699 OG SER A 105 908 638 771 -28 -86 21 O ATOM 0 H SER A 105 -7.443 -12.507 17.012 1.00 5.54 H new ATOM 0 HA SER A 105 -7.935 -9.941 16.981 1.00 5.17 H new ATOM 0 HB2 SER A 105 -9.017 -10.199 18.990 1.00 5.81 H new ATOM 0 HB3 SER A 105 -9.456 -11.351 18.035 1.00 5.81 H new ATOM 0 HG SER A 105 -8.228 -11.570 20.256 1.00 6.10 H new ATOM 1705 N GLU A 106 -6.550 -8.804 18.752 1.00 5.36 N ANISOU 1705 N GLU A 106 757 613 665 -19 -103 10 N ATOM 1706 CA GLU A 106 -5.544 -8.102 19.538 1.00 4.85 C ANISOU 1706 CA GLU A 106 687 561 594 -10 -115 14 C ATOM 1707 C GLU A 106 -5.863 -8.271 21.022 1.00 5.05 C ANISOU 1707 C GLU A 106 734 576 607 -9 -119 27 C ATOM 1708 O GLU A 106 -5.073 -8.835 21.783 1.00 5.44 O ANISOU 1708 O GLU A 106 793 622 651 7 -131 34 O ATOM 1709 CB GLU A 106 -5.507 -6.655 19.127 1.00 4.79 C ANISOU 1709 CB GLU A 106 660 571 587 -22 -115 11 C ATOM 1710 CG GLU A 106 -5.077 -6.498 17.690 1.00 6.33 C ANISOU 1710 CG GLU A 106 836 780 789 -23 -111 3 C ATOM 1711 CD GLU A 106 -4.425 -5.177 17.377 1.00 5.00 C ANISOU 1711 CD GLU A 106 648 629 621 -31 -113 3 C ATOM 1712 OE1 GLU A 106 -5.052 -4.128 17.645 1.00 5.47 O ANISOU 1712 OE1 GLU A 106 710 687 681 -43 -111 7 O ATOM 1713 OE2 GLU A 106 -3.280 -5.203 16.861 1.00 6.43 O ANISOU 1713 OE2 GLU A 106 812 824 806 -24 -115 -2 O ATOM 0 H GLU A 106 -7.246 -8.329 18.579 1.00 5.36 H new ATOM 0 HA GLU A 106 -4.663 -8.474 19.378 1.00 4.85 H new ATOM 0 HB2 GLU A 106 -6.385 -6.261 19.248 1.00 4.79 H new ATOM 0 HB3 GLU A 106 -4.896 -6.169 19.703 1.00 4.79 H new ATOM 0 HG2 GLU A 106 -4.459 -7.212 17.469 1.00 6.33 H new ATOM 0 HG3 GLU A 106 -5.853 -6.607 17.118 1.00 6.33 H new ATOM 1720 N HIS A 107 -7.040 -7.825 21.456 1.00 4.92 N ANISOU 1720 N HIS A 107 726 558 586 -26 -107 30 N ATOM 1721 CA HIS A 107 -7.497 -8.227 22.775 1.00 5.22 C ANISOU 1721 CA HIS A 107 788 586 609 -27 -104 42 C ATOM 1722 C HIS A 107 -7.781 -9.711 22.797 1.00 5.35 C ANISOU 1722 C HIS A 107 825 579 629 -24 -98 52 C ATOM 1723 O HIS A 107 -8.116 -10.315 21.778 1.00 5.57 O ANISOU 1723 O HIS A 107 849 596 673 -29 -92 44 O ATOM 1724 CB HIS A 107 -8.753 -7.430 23.157 1.00 5.41 C ANISOU 1724 CB HIS A 107 812 616 629 -46 -89 39 C ATOM 1725 CG HIS A 107 -8.464 -5.972 23.311 1.00 4.48 C ANISOU 1725 CG HIS A 107 679 515 508 -47 -96 30 C ATOM 1726 ND1 HIS A 107 -8.523 -5.086 22.264 1.00 4.89 N ANISOU 1726 ND1 HIS A 107 709 573 575 -52 -96 20 N ATOM 1727 CD2 HIS A 107 -8.006 -5.265 24.369 1.00 4.81 C ANISOU 1727 CD2 HIS A 107 724 566 535 -43 -105 28 C ATOM 1728 CE1 HIS A 107 -8.130 -3.896 22.683 1.00 4.58 C ANISOU 1728 CE1 HIS A 107 664 544 534 -52 -103 14 C ATOM 1729 NE2 HIS A 107 -7.804 -3.978 23.953 1.00 5.27 N ANISOU 1729 NE2 HIS A 107 764 634 604 -47 -109 16 N ATOM 0 H HIS A 107 -7.570 -7.308 21.018 1.00 4.92 H new ATOM 0 HA HIS A 107 -6.801 -8.039 23.424 1.00 5.22 H new ATOM 0 HB2 HIS A 107 -9.433 -7.554 22.477 1.00 5.41 H new ATOM 0 HB3 HIS A 107 -9.115 -7.777 23.987 1.00 5.41 H new ATOM 0 HD1 HIS A 107 -8.775 -5.275 21.464 1.00 4.89 H new ATOM 0 HD2 HIS A 107 -7.855 -5.595 25.225 1.00 4.81 H new ATOM 0 HE1 HIS A 107 -8.091 -3.126 22.163 1.00 4.58 H new ATOM 0 HE2 HIS A 107 -7.513 -3.332 24.440 1.00 5.27 H new ATOM 1738 N THR A 108 -7.649 -10.289 23.987 1.00 5.38 N ANISOU 1738 N THR A 108 854 572 617 -18 -101 69 N ATOM 1739 CA THR A 108 -8.033 -11.656 24.228 1.00 5.16 C ANISOU 1739 CA THR A 108 852 516 592 -18 -94 83 C ATOM 1740 C THR A 108 -8.982 -11.664 25.419 1.00 5.28 C ANISOU 1740 C THR A 108 890 530 588 -35 -78 99 C ATOM 1741 O THR A 108 -9.050 -10.691 26.187 1.00 6.21 O ANISOU 1741 O THR A 108 1005 669 686 -37 -79 98 O ATOM 1742 CB THR A 108 -6.799 -12.567 24.448 1.00 6.72 C ANISOU 1742 CB THR A 108 1064 700 791 10 -114 94 C ATOM 1743 OG1 THR A 108 -5.974 -12.061 25.503 1.00 7.05 O ANISOU 1743 OG1 THR A 108 1109 760 810 26 -132 102 O ATOM 1744 CG2 THR A 108 -5.970 -12.610 23.203 1.00 6.95 C ANISOU 1744 CG2 THR A 108 1067 733 840 25 -124 74 C ATOM 0 H THR A 108 -7.330 -9.888 24.678 1.00 5.38 H new ATOM 0 HA THR A 108 -8.485 -12.021 23.451 1.00 5.16 H new ATOM 0 HB THR A 108 -7.123 -13.452 24.678 1.00 6.72 H new ATOM 0 HG1 THR A 108 -6.320 -12.250 26.245 1.00 7.05 H new ATOM 0 HG21 THR A 108 -5.199 -13.181 23.347 1.00 6.95 H new ATOM 0 HG22 THR A 108 -6.502 -12.962 22.472 1.00 6.95 H new ATOM 0 HG23 THR A 108 -5.671 -11.714 22.982 1.00 6.95 H new ATOM 1752 N VAL A 109 -9.733 -12.757 25.546 1.00 6.89 N ANISOU 1752 N VAL A 109 1115 706 796 -47 -62 113 N ATOM 1753 CA VAL A 109 -10.693 -12.883 26.626 1.00 6.26 C ANISOU 1753 CA VAL A 109 1057 625 698 -67 -42 129 C ATOM 1754 C VAL A 109 -10.387 -14.163 27.371 1.00 6.67 C ANISOU 1754 C VAL A 109 1147 647 741 -59 -44 159 C ATOM 1755 O VAL A 109 -10.524 -15.245 26.825 1.00 7.47 O ANISOU 1755 O VAL A 109 1259 714 864 -62 -40 164 O ATOM 1756 CB VAL A 109 -12.153 -12.890 26.105 1.00 7.73 C ANISOU 1756 CB VAL A 109 1229 807 900 -98 -15 118 C ATOM 1757 CG1 VAL A 109 -13.153 -13.028 27.241 1.00 9.33 C ANISOU 1757 CG1 VAL A 109 1449 1012 1084 -120 11 135 C ATOM 1758 CG2 VAL A 109 -12.443 -11.642 25.283 1.00 8.13 C ANISOU 1758 CG2 VAL A 109 1242 885 961 -101 -17 91 C ATOM 0 H VAL A 109 -9.698 -13.433 25.015 1.00 6.89 H new ATOM 0 HA VAL A 109 -10.615 -12.117 27.216 1.00 6.26 H new ATOM 0 HB VAL A 109 -12.252 -13.665 25.530 1.00 7.73 H new ATOM 0 HG11 VAL A 109 -14.054 -13.029 26.881 1.00 9.33 H new ATOM 0 HG12 VAL A 109 -12.993 -13.860 27.714 1.00 9.33 H new ATOM 0 HG13 VAL A 109 -13.051 -12.283 27.854 1.00 9.33 H new ATOM 0 HG21 VAL A 109 -13.360 -11.668 24.968 1.00 8.13 H new ATOM 0 HG22 VAL A 109 -12.313 -10.854 25.834 1.00 8.13 H new ATOM 0 HG23 VAL A 109 -11.841 -11.608 24.523 1.00 8.13 H new ATOM 1768 N ASP A 110 -9.929 -14.043 28.606 1.00 7.49 N ANISOU 1768 N ASP A 110 1273 761 812 -47 -52 179 N ATOM 1769 CA ASP A 110 -9.423 -15.188 29.346 1.00 7.76 C ANISOU 1769 CA ASP A 110 1347 768 834 -32 -61 212 C ATOM 1770 C ASP A 110 -8.453 -15.990 28.459 1.00 8.48 C ANISOU 1770 C ASP A 110 1435 833 954 -6 -83 208 C ATOM 1771 O ASP A 110 -8.444 -17.228 28.456 1.00 8.67 O ANISOU 1771 O ASP A 110 1487 816 990 -2 -82 227 O ATOM 1772 CB ASP A 110 -10.571 -16.045 29.869 1.00 10.50 C ANISOU 1772 CB ASP A 110 1723 1090 1176 -61 -30 237 C ATOM 1773 CG ASP A 110 -11.447 -15.299 30.817 1.00 9.61 C ANISOU 1773 CG ASP A 110 1613 1007 1033 -84 -6 240 C ATOM 1774 OD1 ASP A 110 -10.921 -14.433 31.538 1.00 11.32 O ANISOU 1774 OD1 ASP A 110 1827 1256 1218 -68 -20 237 O ATOM 1775 OD2 ASP A 110 -12.636 -15.634 30.902 1.00 12.79 O ANISOU 1775 OD2 ASP A 110 2019 1400 1440 -116 27 246 O ATOM 0 H ASP A 110 -9.902 -13.300 29.038 1.00 7.49 H new ATOM 0 HA ASP A 110 -8.930 -14.879 30.122 1.00 7.76 H new ATOM 0 HB2 ASP A 110 -11.102 -16.361 29.122 1.00 10.50 H new ATOM 0 HB3 ASP A 110 -10.211 -16.829 30.313 1.00 10.50 H new ATOM 1780 N LYS A 111 -7.571 -15.252 27.804 1.00 7.48 N ANISOU 1780 N LYS A 111 1276 729 836 13 -104 183 N ATOM 1781 CA LYS A 111 -6.509 -15.730 26.948 1.00 7.79 C ANISOU 1781 CA LYS A 111 1303 757 899 41 -125 171 C ATOM 1782 C LYS A 111 -6.996 -16.276 25.605 1.00 8.95 C ANISOU 1782 C LYS A 111 1437 881 1081 29 -112 151 C ATOM 1783 O LYS A 111 -6.178 -16.618 24.768 1.00 10.32 O ANISOU 1783 O LYS A 111 1598 1049 1275 50 -125 136 O ATOM 1784 CB LYS A 111 -5.620 -16.751 27.670 1.00 10.09 C ANISOU 1784 CB LYS A 111 1626 1025 1184 73 -147 198 C ATOM 1785 CG LYS A 111 -4.852 -16.177 28.877 1.00 13.32 C ANISOU 1785 CG LYS A 111 2041 1463 1556 93 -171 212 C ATOM 1786 CD LYS A 111 -3.932 -15.021 28.486 1.00 14.64 C ANISOU 1786 CD LYS A 111 2166 1671 1725 105 -190 183 C ATOM 1787 CE LYS A 111 -3.232 -14.366 29.677 1.00 15.56 C ANISOU 1787 CE LYS A 111 2286 1820 1807 121 -214 191 C ATOM 1788 NZ LYS A 111 -2.148 -15.223 30.213 1.00 25.14 N ANISOU 1788 NZ LYS A 111 3516 3023 3014 160 -246 210 N ATOM 0 H LYS A 111 -7.582 -14.394 27.855 1.00 7.48 H new ATOM 0 HA LYS A 111 -5.974 -14.948 26.739 1.00 7.79 H new ATOM 0 HB2 LYS A 111 -6.172 -17.489 27.972 1.00 10.09 H new ATOM 0 HB3 LYS A 111 -4.982 -17.115 27.036 1.00 10.09 H new ATOM 0 HG2 LYS A 111 -5.486 -15.871 29.545 1.00 13.32 H new ATOM 0 HG3 LYS A 111 -4.326 -16.881 29.287 1.00 13.32 H new ATOM 0 HD2 LYS A 111 -3.261 -15.347 27.866 1.00 14.64 H new ATOM 0 HD3 LYS A 111 -4.451 -14.349 28.016 1.00 14.64 H new ATOM 0 HE2 LYS A 111 -2.865 -13.510 29.406 1.00 15.56 H new ATOM 0 HE3 LYS A 111 -3.880 -14.188 30.376 1.00 15.56 H new ATOM 0 HZ1 LYS A 111 -1.761 -14.816 30.903 1.00 25.14 H new ATOM 0 HZ2 LYS A 111 -2.489 -16.000 30.481 1.00 25.14 H new ATOM 0 HZ3 LYS A 111 -1.542 -15.368 29.577 1.00 25.14 H new ATOM 1802 N LYS A 112 -8.309 -16.308 25.377 1.00 7.55 N ANISOU 1802 N LYS A 112 1262 697 911 -6 -85 148 N ATOM 1803 CA LYS A 112 -8.843 -16.752 24.094 1.00 8.09 C ANISOU 1803 CA LYS A 112 1316 748 1009 -20 -74 126 C ATOM 1804 C LYS A 112 -8.622 -15.698 23.018 1.00 8.16 C ANISOU 1804 C LYS A 112 1284 791 1024 -18 -79 95 C ATOM 1805 O LYS A 112 -8.944 -14.517 23.215 1.00 7.85 O ANISOU 1805 O LYS A 112 1227 784 971 -29 -75 90 O ATOM 1806 CB LYS A 112 -10.349 -16.986 24.180 1.00 9.72 C ANISOU 1806 CB LYS A 112 1530 943 1222 -59 -46 129 C ATOM 1807 CG LYS A 112 -10.989 -17.399 22.849 1.00 12.15 C ANISOU 1807 CG LYS A 112 1820 1238 1559 -76 -38 101 C ATOM 1808 CD LYS A 112 -12.510 -17.450 22.935 1.00 15.14 C ANISOU 1808 CD LYS A 112 2196 1614 1944 -116 -11 100 C ATOM 1809 CE LYS A 112 -13.132 -17.614 21.556 1.00 15.61 C ANISOU 1809 CE LYS A 112 2231 1672 2029 -132 -8 67 C ATOM 1810 NZ LYS A 112 -12.785 -18.867 20.924 1.00 17.10 N ANISOU 1810 NZ LYS A 112 2436 1821 2242 -126 -14 58 N ATOM 0 H LYS A 112 -8.905 -16.077 25.952 1.00 7.55 H new ATOM 0 HA LYS A 112 -8.380 -17.574 23.871 1.00 8.09 H new ATOM 0 HB2 LYS A 112 -10.523 -17.675 24.840 1.00 9.72 H new ATOM 0 HB3 LYS A 112 -10.776 -16.175 24.497 1.00 9.72 H new ATOM 0 HG2 LYS A 112 -10.726 -16.772 22.157 1.00 12.15 H new ATOM 0 HG3 LYS A 112 -10.652 -18.270 22.586 1.00 12.15 H new ATOM 0 HD2 LYS A 112 -12.780 -18.187 23.505 1.00 15.14 H new ATOM 0 HD3 LYS A 112 -12.841 -16.637 23.348 1.00 15.14 H new ATOM 0 HE2 LYS A 112 -14.097 -17.553 21.633 1.00 15.61 H new ATOM 0 HE3 LYS A 112 -12.846 -16.881 20.989 1.00 15.61 H new ATOM 0 HZ1 LYS A 112 -13.240 -18.952 20.164 1.00 17.10 H new ATOM 0 HZ2 LYS A 112 -11.912 -18.880 20.750 1.00 17.10 H new ATOM 0 HZ3 LYS A 112 -12.989 -19.541 21.468 1.00 17.10 H new ATOM 1824 N LYS A 113 -8.024 -16.129 21.911 1.00 7.34 N ANISOU 1824 N LYS A 113 1168 681 940 -3 -88 75 N ATOM 1825 CA ALYS A 113 -7.883 -15.318 20.711 0.66 8.54 C ANISOU 1825 CA ALYS A 113 1286 862 1098 -5 -89 48 C ATOM 1826 CA BLYS A 113 -7.892 -15.302 20.724 0.34 8.89 C ANISOU 1826 CA BLYS A 113 1329 906 1142 -5 -89 48 C ATOM 1827 C LYS A 113 -9.034 -15.589 19.756 1.00 8.10 C ANISOU 1827 C LYS A 113 1222 798 1056 -30 -74 30 C ATOM 1828 O LYS A 113 -9.407 -16.756 19.528 1.00 9.80 O ANISOU 1828 O LYS A 113 1455 979 1289 -36 -68 27 O ATOM 1829 CB ALYS A 113 -6.591 -15.676 19.982 0.66 8.24 C ANISOU 1829 CB ALYS A 113 1236 826 1070 26 -105 33 C ATOM 1830 CB BLYS A 113 -6.556 -15.585 20.038 0.34 8.98 C ANISOU 1830 CB BLYS A 113 1329 921 1162 26 -105 34 C ATOM 1831 CG ALYS A 113 -5.317 -15.413 20.753 0.66 7.90 C ANISOU 1831 CG ALYS A 113 1191 794 1016 54 -124 45 C ATOM 1832 CG BLYS A 113 -5.341 -15.196 20.868 0.34 9.10 C ANISOU 1832 CG BLYS A 113 1342 952 1165 52 -124 47 C ATOM 1833 CD ALYS A 113 -4.109 -15.894 19.951 0.66 8.35 C ANISOU 1833 CD ALYS A 113 1232 852 1087 85 -136 27 C ATOM 1834 CD BLYS A 113 -4.059 -15.780 20.293 0.34 12.06 C ANISOU 1834 CD BLYS A 113 1705 1324 1552 86 -138 33 C ATOM 1835 CE ALYS A 113 -2.784 -15.478 20.582 0.66 11.86 C ANISOU 1835 CE ALYS A 113 1665 1319 1524 112 -157 33 C ATOM 1836 CE BLYS A 113 -2.841 -15.349 21.102 0.34 10.90 C ANISOU 1836 CE BLYS A 113 1550 1198 1395 111 -160 43 C ATOM 1837 NZ ALYS A 113 -2.494 -16.232 21.827 0.66 12.39 N ANISOU 1837 NZ ALYS A 113 1762 1361 1585 132 -172 59 N ATOM 1838 NZ BLYS A 113 -1.584 -16.014 20.650 0.34 13.40 N ANISOU 1838 NZ BLYS A 113 1853 1512 1727 147 -174 30 N ATOM 0 H ALYS A 113 -7.684 -16.915 21.837 0.66 7.34 H new ATOM 0 H BLYS A 113 -7.683 -16.914 21.830 0.34 7.34 H new ATOM 0 HA ALYS A 113 -7.876 -14.386 20.981 0.66 8.89 H new ATOM 0 HA BLYS A 113 -7.926 -14.369 20.988 0.34 8.89 H new ATOM 0 HB2ALYS A 113 -6.620 -16.617 19.747 0.66 8.98 H new ATOM 0 HB2BLYS A 113 -6.504 -16.531 19.829 0.34 8.98 H new ATOM 0 HB3ALYS A 113 -6.557 -15.177 19.151 0.66 8.98 H new ATOM 0 HB3BLYS A 113 -6.528 -15.106 19.195 0.34 8.98 H new ATOM 0 HG2ALYS A 113 -5.233 -14.465 20.940 0.66 9.10 H new ATOM 0 HG2BLYS A 113 -5.269 -14.229 20.904 0.34 9.10 H new ATOM 0 HG3ALYS A 113 -5.348 -15.869 21.609 0.66 9.10 H new ATOM 0 HG3BLYS A 113 -5.458 -15.506 21.780 0.34 9.10 H new ATOM 0 HD2ALYS A 113 -4.139 -16.861 19.876 0.66 12.06 H new ATOM 0 HD2BLYS A 113 -4.118 -16.748 20.284 0.34 12.06 H new ATOM 0 HD3ALYS A 113 -4.160 -15.538 19.050 0.66 12.06 H new ATOM 0 HD3BLYS A 113 -3.956 -15.494 19.372 0.34 12.06 H new ATOM 0 HE2ALYS A 113 -2.066 -15.620 19.945 0.66 10.90 H new ATOM 0 HE2BLYS A 113 -2.736 -14.387 21.034 0.34 10.90 H new ATOM 0 HE3ALYS A 113 -2.805 -14.528 20.779 0.66 10.90 H new ATOM 0 HE3BLYS A 113 -2.991 -15.552 22.039 0.34 10.90 H new ATOM 0 HZ1ALYS A 113 -1.623 -16.188 22.005 0.66 13.40 H new ATOM 0 HZ1BLYS A 113 -0.883 -15.602 21.012 0.34 13.40 H new ATOM 0 HZ2ALYS A 113 -2.953 -15.878 22.502 0.66 13.40 H new ATOM 0 HZ2BLYS A 113 -1.591 -16.867 20.905 0.34 13.40 H new ATOM 0 HZ3ALYS A 113 -2.732 -17.083 21.721 0.66 13.40 H new ATOM 0 HZ3BLYS A 113 -1.527 -15.970 19.763 0.34 13.40 H new ATOM 1865 N TYR A 114 -9.586 -14.540 19.177 1.00 6.92 N ANISOU 1865 N TYR A 114 1048 679 903 -45 -69 17 N ATOM 1866 CA TYR A 114 -10.617 -14.656 18.144 1.00 5.97 C ANISOU 1866 CA TYR A 114 914 559 794 -66 -60 -3 C ATOM 1867 C TYR A 114 -9.955 -14.580 16.763 1.00 6.10 C ANISOU 1867 C TYR A 114 912 593 814 -52 -69 -27 C ATOM 1868 O TYR A 114 -8.782 -14.252 16.636 1.00 6.45 O ANISOU 1868 O TYR A 114 949 651 852 -30 -78 -27 O ATOM 1869 CB TYR A 114 -11.677 -13.563 18.329 1.00 6.50 C ANISOU 1869 CB TYR A 114 966 652 854 -87 -51 -1 C ATOM 1870 CG TYR A 114 -12.613 -13.818 19.462 1.00 7.16 C ANISOU 1870 CG TYR A 114 1064 721 935 -107 -36 15 C ATOM 1871 CD1 TYR A 114 -13.783 -14.491 19.251 1.00 8.65 C ANISOU 1871 CD1 TYR A 114 1254 894 1139 -133 -22 7 C ATOM 1872 CD2 TYR A 114 -12.340 -13.378 20.742 1.00 9.40 C ANISOU 1872 CD2 TYR A 114 1361 1010 1202 -101 -34 36 C ATOM 1873 CE1 TYR A 114 -14.690 -14.712 20.284 1.00 12.48 C ANISOU 1873 CE1 TYR A 114 1749 1369 1622 -155 -3 23 C ATOM 1874 CE2 TYR A 114 -13.238 -13.598 21.776 1.00 11.34 C ANISOU 1874 CE2 TYR A 114 1621 1247 1442 -121 -16 51 C ATOM 1875 CZ TYR A 114 -14.404 -14.248 21.532 1.00 12.71 C ANISOU 1875 CZ TYR A 114 1793 1406 1631 -148 1 45 C ATOM 1876 OH TYR A 114 -15.297 -14.460 22.584 1.00 19.41 O ANISOU 1876 OH TYR A 114 2654 2249 2473 -170 23 61 O ATOM 0 H TYR A 114 -9.376 -13.729 19.369 1.00 6.92 H new ATOM 0 HA TYR A 114 -11.069 -15.511 18.220 1.00 5.97 H new ATOM 0 HB2 TYR A 114 -11.232 -12.713 18.473 1.00 6.50 H new ATOM 0 HB3 TYR A 114 -12.189 -13.479 17.510 1.00 6.50 H new ATOM 0 HD1 TYR A 114 -13.978 -14.808 18.399 1.00 8.65 H new ATOM 0 HD2 TYR A 114 -11.544 -12.928 20.913 1.00 9.40 H new ATOM 0 HE1 TYR A 114 -15.482 -15.171 20.123 1.00 12.48 H new ATOM 0 HE2 TYR A 114 -13.041 -13.301 22.635 1.00 11.34 H new ATOM 0 HH TYR A 114 -15.417 -13.740 22.999 1.00 19.41 H new ATOM 1886 N ALA A 115 -10.717 -14.887 15.725 1.00 6.55 N ANISOU 1886 N ALA A 115 960 650 880 -67 -65 -48 N ATOM 1887 CA ALA A 115 -10.192 -14.902 14.366 1.00 7.22 C ANISOU 1887 CA ALA A 115 1029 752 963 -56 -71 -73 C ATOM 1888 C ALA A 115 -9.815 -13.509 13.885 1.00 5.57 C ANISOU 1888 C ALA A 115 797 584 737 -51 -75 -70 C ATOM 1889 O ALA A 115 -8.986 -13.332 13.008 1.00 5.81 O ANISOU 1889 O ALA A 115 815 632 759 -37 -78 -82 O ATOM 1890 CB ALA A 115 -11.219 -15.493 13.438 1.00 7.23 C ANISOU 1890 CB ALA A 115 1026 747 973 -75 -68 -97 C ATOM 0 H ALA A 115 -11.550 -15.092 15.786 1.00 6.55 H new ATOM 0 HA ALA A 115 -9.387 -15.442 14.366 1.00 7.22 H new ATOM 0 HB1 ALA A 115 -10.870 -15.503 12.533 1.00 7.23 H new ATOM 0 HB2 ALA A 115 -11.423 -16.400 13.716 1.00 7.23 H new ATOM 0 HB3 ALA A 115 -12.027 -14.957 13.466 1.00 7.23 H new ATOM 1896 N ALA A 116 -10.484 -12.497 14.408 1.00 5.63 N ANISOU 1896 N ALA A 116 871 527 740 8 -234 -37 N ATOM 1897 CA ALA A 116 -10.232 -11.127 13.991 1.00 5.23 C ANISOU 1897 CA ALA A 116 813 510 663 11 -205 -43 C ATOM 1898 C ALA A 116 -10.838 -10.159 14.985 1.00 4.68 C ANISOU 1898 C ALA A 116 748 450 578 -9 -182 -17 C ATOM 1899 O ALA A 116 -11.561 -10.579 15.907 1.00 5.76 O ANISOU 1899 O ALA A 116 892 574 722 -28 -186 4 O ATOM 1900 CB ALA A 116 -10.780 -10.889 12.570 1.00 5.93 C ANISOU 1900 CB ALA A 116 894 611 747 20 -199 -63 C ATOM 0 H ALA A 116 -11.092 -12.581 15.010 1.00 5.63 H new ATOM 0 HA ALA A 116 -9.274 -10.974 13.969 1.00 5.23 H new ATOM 0 HB1 ALA A 116 -10.605 -9.972 12.305 1.00 5.93 H new ATOM 0 HB2 ALA A 116 -10.344 -11.493 11.949 1.00 5.93 H new ATOM 0 HB3 ALA A 116 -11.736 -11.051 12.560 1.00 5.93 H new ATOM 1906 N GLU A 117 -10.529 -8.891 14.820 1.00 4.34 N ANISOU 1906 N GLU A 117 702 432 517 -8 -160 -20 N ATOM 1907 CA GLU A 117 -11.049 -7.868 15.697 1.00 4.31 C ANISOU 1907 CA GLU A 117 698 439 500 -23 -140 -3 C ATOM 1908 C GLU A 117 -11.244 -6.598 14.874 1.00 4.49 C ANISOU 1908 C GLU A 117 717 480 511 -19 -123 -11 C ATOM 1909 O GLU A 117 -10.324 -6.152 14.164 1.00 6.12 O ANISOU 1909 O GLU A 117 921 698 706 -8 -119 -23 O ATOM 1910 CB GLU A 117 -10.083 -7.639 16.863 1.00 4.80 C ANISOU 1910 CB GLU A 117 764 506 554 -27 -137 7 C ATOM 1911 CG GLU A 117 -10.587 -6.650 17.918 1.00 4.80 C ANISOU 1911 CG GLU A 117 764 519 542 -44 -117 20 C ATOM 1912 CD GLU A 117 -9.664 -6.562 19.115 1.00 4.47 C ANISOU 1912 CD GLU A 117 726 482 490 -48 -118 29 C ATOM 1913 OE1 GLU A 117 -9.026 -7.575 19.448 1.00 5.60 O ANISOU 1913 OE1 GLU A 117 877 611 640 -45 -139 34 O ATOM 1914 OE2 GLU A 117 -9.622 -5.470 19.746 1.00 5.40 O ANISOU 1914 OE2 GLU A 117 840 617 595 -54 -101 31 O ATOM 0 H GLU A 117 -10.013 -8.598 14.198 1.00 4.34 H new ATOM 0 HA GLU A 117 -11.900 -8.138 16.077 1.00 4.31 H new ATOM 0 HB2 GLU A 117 -9.905 -8.490 17.293 1.00 4.80 H new ATOM 0 HB3 GLU A 117 -9.239 -7.317 16.511 1.00 4.80 H new ATOM 0 HG2 GLU A 117 -10.677 -5.771 17.517 1.00 4.80 H new ATOM 0 HG3 GLU A 117 -11.471 -6.919 18.214 1.00 4.80 H new ATOM 1921 N LEU A 118 -12.436 -6.026 14.955 1.00 3.97 N ANISOU 1921 N LEU A 118 648 415 446 -28 -115 -6 N ATOM 1922 CA LEU A 118 -12.822 -4.793 14.312 1.00 4.29 C ANISOU 1922 CA LEU A 118 686 466 478 -24 -106 -10 C ATOM 1923 C LEU A 118 -12.619 -3.637 15.286 1.00 4.49 C ANISOU 1923 C LEU A 118 709 500 495 -32 -91 -3 C ATOM 1924 O LEU A 118 -13.041 -3.716 16.439 1.00 4.41 O ANISOU 1924 O LEU A 118 696 492 489 -44 -85 3 O ATOM 1925 CB LEU A 118 -14.318 -4.905 13.939 1.00 4.99 C ANISOU 1925 CB LEU A 118 769 548 579 -27 -112 -14 C ATOM 1926 CG LEU A 118 -15.082 -3.656 13.526 1.00 5.43 C ANISOU 1926 CG LEU A 118 822 609 634 -24 -109 -18 C ATOM 1927 CD1 LEU A 118 -14.486 -2.990 12.310 1.00 5.64 C ANISOU 1927 CD1 LEU A 118 858 639 645 -14 -113 -20 C ATOM 1928 CD2 LEU A 118 -16.537 -4.013 13.241 1.00 6.10 C ANISOU 1928 CD2 LEU A 118 897 686 734 -26 -118 -26 C ATOM 0 H LEU A 118 -13.075 -6.371 15.415 1.00 3.97 H new ATOM 0 HA LEU A 118 -12.288 -4.634 13.518 1.00 4.29 H new ATOM 0 HB2 LEU A 118 -14.389 -5.543 13.212 1.00 4.99 H new ATOM 0 HB3 LEU A 118 -14.780 -5.290 14.701 1.00 4.99 H new ATOM 0 HG LEU A 118 -15.024 -3.028 14.263 1.00 5.43 H new ATOM 0 HD11 LEU A 118 -15.005 -2.202 12.086 1.00 5.64 H new ATOM 0 HD12 LEU A 118 -13.570 -2.731 12.499 1.00 5.64 H new ATOM 0 HD13 LEU A 118 -14.499 -3.609 11.563 1.00 5.64 H new ATOM 0 HD21 LEU A 118 -17.021 -3.214 12.978 1.00 6.10 H new ATOM 0 HD22 LEU A 118 -16.576 -4.665 12.524 1.00 6.10 H new ATOM 0 HD23 LEU A 118 -16.941 -4.387 14.040 1.00 6.10 H new ATOM 1940 N HIS A 119 -12.010 -2.566 14.795 1.00 3.95 N ANISOU 1940 N HIS A 119 644 440 417 -27 -84 -6 N ATOM 1941 CA HIS A 119 -11.800 -1.336 15.537 1.00 3.88 C ANISOU 1941 CA HIS A 119 633 437 404 -32 -73 -2 C ATOM 1942 C HIS A 119 -12.471 -0.173 14.825 1.00 3.50 C ANISOU 1942 C HIS A 119 586 386 358 -30 -76 -4 C ATOM 1943 O HIS A 119 -12.104 0.154 13.703 1.00 4.91 O ANISOU 1943 O HIS A 119 773 564 527 -26 -80 -3 O ATOM 1944 CB HIS A 119 -10.299 -1.035 15.628 1.00 4.74 C ANISOU 1944 CB HIS A 119 745 555 502 -32 -66 -2 C ATOM 1945 CG HIS A 119 -9.579 -1.984 16.508 1.00 3.74 C ANISOU 1945 CG HIS A 119 616 429 375 -32 -68 -1 C ATOM 1946 ND1 HIS A 119 -8.206 -2.192 16.487 1.00 4.36 N ANISOU 1946 ND1 HIS A 119 694 514 448 -28 -68 -7 N ATOM 1947 CD2 HIS A 119 -10.090 -2.813 17.452 1.00 4.94 C ANISOU 1947 CD2 HIS A 119 768 576 533 -39 -73 5 C ATOM 1948 CE1 HIS A 119 -7.921 -3.116 17.392 1.00 4.32 C ANISOU 1948 CE1 HIS A 119 689 505 448 -27 -76 -4 C ATOM 1949 NE2 HIS A 119 -9.036 -3.497 17.998 1.00 4.57 N ANISOU 1949 NE2 HIS A 119 723 528 484 -36 -79 7 N ATOM 0 H HIS A 119 -11.698 -2.536 13.994 1.00 3.95 H new ATOM 0 HA HIS A 119 -12.178 -1.446 16.423 1.00 3.88 H new ATOM 0 HB2 HIS A 119 -9.912 -1.067 14.739 1.00 4.74 H new ATOM 0 HB3 HIS A 119 -10.173 -0.132 15.960 1.00 4.74 H new ATOM 0 HD2 HIS A 119 -10.986 -2.901 17.685 1.00 4.94 H new ATOM 0 HE1 HIS A 119 -7.071 -3.446 17.574 1.00 4.32 H new ATOM 0 HE2 HIS A 119 -9.089 -4.078 18.630 1.00 4.57 H new ATOM 1957 N LEU A 120 -13.473 0.418 15.471 1.00 4.10 N ANISOU 1957 N LEU A 120 654 460 446 -32 -75 -9 N ATOM 1958 CA LEU A 120 -14.097 1.648 15.034 1.00 4.18 C ANISOU 1958 CA LEU A 120 663 461 463 -27 -83 -13 C ATOM 1959 C LEU A 120 -13.473 2.770 15.831 1.00 3.79 C ANISOU 1959 C LEU A 120 612 414 414 -31 -74 -14 C ATOM 1960 O LEU A 120 -13.630 2.842 17.049 1.00 4.99 O ANISOU 1960 O LEU A 120 751 574 569 -36 -65 -21 O ATOM 1961 CB LEU A 120 -15.612 1.578 15.180 1.00 4.88 C ANISOU 1961 CB LEU A 120 738 546 570 -25 -90 -26 C ATOM 1962 CG LEU A 120 -16.285 0.468 14.368 1.00 5.97 C ANISOU 1962 CG LEU A 120 877 680 711 -22 -100 -27 C ATOM 1963 CD1 LEU A 120 -17.004 -0.538 15.212 1.00 9.09 C ANISOU 1963 CD1 LEU A 120 1258 1082 1115 -32 -93 -33 C ATOM 1964 CD2 LEU A 120 -17.245 1.067 13.355 1.00 7.50 C ANISOU 1964 CD2 LEU A 120 1071 862 915 -10 -120 -35 C ATOM 0 H LEU A 120 -13.813 0.101 16.194 1.00 4.10 H new ATOM 0 HA LEU A 120 -13.944 1.805 14.089 1.00 4.18 H new ATOM 0 HB2 LEU A 120 -15.828 1.452 16.117 1.00 4.88 H new ATOM 0 HB3 LEU A 120 -15.990 2.431 14.913 1.00 4.88 H new ATOM 0 HG LEU A 120 -15.571 -0.007 13.915 1.00 5.97 H new ATOM 0 HD11 LEU A 120 -17.407 -1.211 14.641 1.00 9.09 H new ATOM 0 HD12 LEU A 120 -16.375 -0.962 15.817 1.00 9.09 H new ATOM 0 HD13 LEU A 120 -17.697 -0.094 15.726 1.00 9.09 H new ATOM 0 HD21 LEU A 120 -17.665 0.355 12.847 1.00 7.50 H new ATOM 0 HD22 LEU A 120 -17.926 1.579 13.818 1.00 7.50 H new ATOM 0 HD23 LEU A 120 -16.757 1.650 12.752 1.00 7.50 H new ATOM 1976 N VAL A 121 -12.736 3.626 15.148 1.00 4.53 N ANISOU 1976 N VAL A 121 718 502 501 -31 -78 -6 N ATOM 1977 CA VAL A 121 -11.920 4.645 15.775 1.00 4.81 C ANISOU 1977 CA VAL A 121 753 537 536 -36 -71 -6 C ATOM 1978 C VAL A 121 -12.605 5.995 15.768 1.00 4.36 C ANISOU 1978 C VAL A 121 695 463 497 -32 -85 -12 C ATOM 1979 O VAL A 121 -13.050 6.460 14.702 1.00 5.44 O ANISOU 1979 O VAL A 121 845 585 637 -28 -103 -5 O ATOM 1980 CB VAL A 121 -10.564 4.749 15.037 1.00 5.28 C ANISOU 1980 CB VAL A 121 826 601 578 -43 -66 6 C ATOM 1981 CG1 VAL A 121 -9.671 5.824 15.664 1.00 5.62 C ANISOU 1981 CG1 VAL A 121 868 644 624 -51 -59 6 C ATOM 1982 CG2 VAL A 121 -9.844 3.404 15.006 1.00 6.19 C ANISOU 1982 CG2 VAL A 121 939 732 681 -43 -57 6 C ATOM 0 H VAL A 121 -12.695 3.631 14.289 1.00 4.53 H new ATOM 0 HA VAL A 121 -11.779 4.387 16.699 1.00 4.81 H new ATOM 0 HB VAL A 121 -10.753 5.010 14.122 1.00 5.28 H new ATOM 0 HG11 VAL A 121 -8.830 5.867 15.183 1.00 5.62 H new ATOM 0 HG12 VAL A 121 -10.116 6.684 15.614 1.00 5.62 H new ATOM 0 HG13 VAL A 121 -9.501 5.602 16.593 1.00 5.62 H new ATOM 0 HG21 VAL A 121 -9.000 3.500 14.538 1.00 6.19 H new ATOM 0 HG22 VAL A 121 -9.679 3.104 15.914 1.00 6.19 H new ATOM 0 HG23 VAL A 121 -10.396 2.752 14.546 1.00 6.19 H new ATOM 1992 N HIS A 122 -12.695 6.623 16.933 1.00 4.37 N ANISOU 1992 N HIS A 122 683 468 511 -32 -80 -26 N ATOM 1993 CA HIS A 122 -13.389 7.892 17.078 1.00 5.49 C ANISOU 1993 CA HIS A 122 818 591 675 -25 -96 -39 C ATOM 1994 C HIS A 122 -12.508 8.879 17.819 1.00 5.23 C ANISOU 1994 C HIS A 122 784 556 647 -30 -92 -44 C ATOM 1995 O HIS A 122 -11.750 8.475 18.714 1.00 6.05 O ANISOU 1995 O HIS A 122 881 679 739 -37 -73 -47 O ATOM 1996 CB HIS A 122 -14.673 7.737 17.923 1.00 4.37 C ANISOU 1996 CB HIS A 122 652 458 551 -17 -96 -66 C ATOM 1997 CG HIS A 122 -15.578 6.606 17.511 1.00 5.33 C ANISOU 1997 CG HIS A 122 769 587 669 -16 -96 -66 C ATOM 1998 ND1 HIS A 122 -15.268 5.284 17.745 1.00 4.66 N ANISOU 1998 ND1 HIS A 122 685 520 566 -25 -79 -56 N ATOM 1999 CD2 HIS A 122 -16.788 6.597 16.896 1.00 5.55 C ANISOU 1999 CD2 HIS A 122 791 605 713 -5 -113 -77 C ATOM 2000 CE1 HIS A 122 -16.267 4.528 17.299 1.00 5.49 C ANISOU 2000 CE1 HIS A 122 785 625 677 -22 -85 -60 C ATOM 2001 NE2 HIS A 122 -17.203 5.296 16.780 1.00 6.06 N ANISOU 2001 NE2 HIS A 122 851 682 769 -11 -104 -74 N ATOM 0 H HIS A 122 -12.354 6.323 17.663 1.00 4.37 H new ATOM 0 HA HIS A 122 -13.606 8.200 16.184 1.00 5.49 H new ATOM 0 HB2 HIS A 122 -14.419 7.608 18.850 1.00 4.37 H new ATOM 0 HB3 HIS A 122 -15.174 8.566 17.879 1.00 4.37 H new ATOM 0 HD1 HIS A 122 -14.548 4.996 18.117 1.00 4.66 H new ATOM 0 HD2 HIS A 122 -17.256 7.346 16.603 1.00 5.55 H new ATOM 0 HE1 HIS A 122 -16.300 3.600 17.346 1.00 5.49 H new ATOM 2009 N TRP A 123 -12.612 10.165 17.522 1.00 5.09 N ANISOU 2009 N TRP A 123 772 513 649 -27 -112 -46 N ATOM 2010 CA TRP A 123 -11.820 11.162 18.225 1.00 4.89 C ANISOU 2010 CA TRP A 123 743 481 632 -32 -110 -53 C ATOM 2011 C TRP A 123 -12.682 12.209 18.917 1.00 5.69 C ANISOU 2011 C TRP A 123 827 569 767 -19 -128 -83 C ATOM 2012 O TRP A 123 -13.768 12.562 18.470 1.00 5.84 O ANISOU 2012 O TRP A 123 843 569 806 -6 -151 -93 O ATOM 2013 CB TRP A 123 -10.785 11.835 17.315 1.00 6.81 C ANISOU 2013 CB TRP A 123 1011 707 870 -46 -117 -27 C ATOM 2014 CG TRP A 123 -11.331 12.492 16.096 1.00 6.85 C ANISOU 2014 CG TRP A 123 1038 682 885 -45 -146 -10 C ATOM 2015 CD1 TRP A 123 -11.561 11.912 14.897 1.00 7.30 C ANISOU 2015 CD1 TRP A 123 1111 738 923 -48 -152 11 C ATOM 2016 CD2 TRP A 123 -11.684 13.861 15.952 1.00 7.83 C ANISOU 2016 CD2 TRP A 123 1169 768 1038 -42 -178 -12 C ATOM 2017 NE1 TRP A 123 -12.044 12.830 13.989 1.00 7.98 N ANISOU 2017 NE1 TRP A 123 1219 792 1022 -47 -185 25 N ATOM 2018 CE2 TRP A 123 -12.111 14.046 14.620 1.00 7.16 C ANISOU 2018 CE2 TRP A 123 1109 661 949 -44 -203 12 C ATOM 2019 CE3 TRP A 123 -11.645 14.973 16.807 1.00 7.42 C ANISOU 2019 CE3 TRP A 123 1105 698 1016 -37 -190 -33 C ATOM 2020 CZ2 TRP A 123 -12.522 15.283 14.136 1.00 9.74 C ANISOU 2020 CZ2 TRP A 123 1453 946 1302 -41 -243 20 C ATOM 2021 CZ3 TRP A 123 -12.057 16.189 16.312 1.00 8.88 C ANISOU 2021 CZ3 TRP A 123 1305 839 1230 -33 -229 -29 C ATOM 2022 CH2 TRP A 123 -12.502 16.334 15.011 1.00 9.73 C ANISOU 2022 CH2 TRP A 123 1439 923 1334 -35 -256 -2 C ATOM 0 H TRP A 123 -13.135 10.482 16.917 1.00 5.09 H new ATOM 0 HA TRP A 123 -11.339 10.675 18.912 1.00 4.89 H new ATOM 0 HB2 TRP A 123 -10.305 12.500 17.834 1.00 6.81 H new ATOM 0 HB3 TRP A 123 -10.137 11.168 17.040 1.00 6.81 H new ATOM 0 HD1 TRP A 123 -11.413 11.013 14.710 1.00 7.30 H new ATOM 0 HE1 TRP A 123 -12.264 12.669 13.173 1.00 7.98 H new ATOM 0 HE3 TRP A 123 -11.349 14.890 17.685 1.00 7.42 H new ATOM 0 HZ2 TRP A 123 -12.799 15.391 13.255 1.00 9.74 H new ATOM 0 HZ3 TRP A 123 -12.036 16.934 16.868 1.00 8.88 H new ATOM 0 HH2 TRP A 123 -12.795 17.168 14.723 1.00 9.73 H new ATOM 2033 N ASN A 124 -12.177 12.693 20.049 1.00 5.78 N ANISOU 2033 N ASN A 124 824 590 783 -21 -118 -102 N ATOM 2034 CA ASN A 124 -12.883 13.595 20.930 1.00 6.06 C ANISOU 2034 CA ASN A 124 835 619 847 -8 -129 -140 C ATOM 2035 C ASN A 124 -12.946 14.975 20.336 1.00 6.28 C ANISOU 2035 C ASN A 124 874 603 907 -2 -164 -140 C ATOM 2036 O ASN A 124 -11.920 15.635 20.138 1.00 6.82 O ANISOU 2036 O ASN A 124 959 654 978 -14 -168 -123 O ATOM 2037 CB ASN A 124 -12.120 13.635 22.253 1.00 7.00 C ANISOU 2037 CB ASN A 124 940 765 956 -15 -108 -158 C ATOM 2038 CG ASN A 124 -12.875 14.295 23.335 1.00 7.01 C ANISOU 2038 CG ASN A 124 910 774 978 -3 -112 -204 C ATOM 2039 OD1 ASN A 124 -13.661 15.196 23.097 1.00 8.57 O ANISOU 2039 OD1 ASN A 124 1100 947 1210 12 -139 -225 O ATOM 2040 ND2 ASN A 124 -12.599 13.881 24.562 1.00 7.96 N ANISOU 2040 ND2 ASN A 124 1014 933 1078 -9 -88 -221 N ATOM 0 H ASN A 124 -11.388 12.495 20.328 1.00 5.78 H new ATOM 0 HA ASN A 124 -13.793 13.287 21.063 1.00 6.06 H new ATOM 0 HB2 ASN A 124 -11.903 12.729 22.523 1.00 7.00 H new ATOM 0 HB3 ASN A 124 -11.279 14.101 22.122 1.00 7.00 H new ATOM 0 HD21 ASN A 124 -12.981 14.252 25.237 1.00 7.96 H new ATOM 0 HD22 ASN A 124 -12.037 13.241 24.684 1.00 7.96 H new ATOM 2047 N THR A 125 -14.151 15.434 20.037 1.00 6.65 N ANISOU 2047 N THR A 125 914 630 984 16 -191 -159 N ATOM 2048 CA THR A 125 -14.294 16.666 19.281 1.00 8.30 C ANISOU 2048 CA THR A 125 1140 789 1225 22 -233 -153 C ATOM 2049 C THR A 125 -13.809 17.897 20.045 1.00 8.04 C ANISOU 2049 C THR A 125 1098 736 1220 24 -246 -175 C ATOM 2050 O THR A 125 -13.558 18.918 19.410 1.00 8.60 O ANISOU 2050 O THR A 125 1191 762 1315 21 -279 -159 O ATOM 2051 CB THR A 125 -15.727 16.876 18.772 1.00 10.96 C ANISOU 2051 CB THR A 125 1469 1105 1591 44 -266 -172 C ATOM 2052 OG1 THR A 125 -16.581 16.966 19.892 1.00 11.16 O ANISOU 2052 OG1 THR A 125 1453 1150 1636 61 -261 -225 O ATOM 2053 CG2 THR A 125 -16.163 15.714 17.889 1.00 12.94 C ANISOU 2053 CG2 THR A 125 1731 1371 1814 42 -257 -147 C ATOM 0 H THR A 125 -14.890 15.053 20.259 1.00 6.65 H new ATOM 0 HA THR A 125 -13.715 16.560 18.510 1.00 8.30 H new ATOM 0 HB THR A 125 -15.768 17.688 18.242 1.00 10.96 H new ATOM 0 HG1 THR A 125 -17.335 17.245 19.648 1.00 11.16 H new ATOM 0 HG21 THR A 125 -17.069 15.866 17.578 1.00 12.94 H new ATOM 0 HG22 THR A 125 -15.567 15.646 17.126 1.00 12.94 H new ATOM 0 HG23 THR A 125 -16.130 14.890 18.399 1.00 12.94 H new ATOM 2061 N LYS A 127 -13.652 17.818 21.352 1.00 7.71 N ANISOU 2061 N LYS A 127 1028 726 1177 26 -223 -210 N ATOM 2062 CA LYS A 127 -13.178 18.991 22.054 1.00 8.66 C ANISOU 2062 CA LYS A 127 1138 827 1325 29 -237 -234 C ATOM 2063 C LYS A 127 -11.748 19.344 21.656 1.00 7.92 C ANISOU 2063 C LYS A 127 1073 717 1221 5 -234 -196 C ATOM 2064 O LYS A 127 -11.314 20.477 21.896 1.00 10.20 O ANISOU 2064 O LYS A 127 1362 975 1539 3 -255 -207 O ATOM 2065 CB LYS A 127 -13.328 18.829 23.557 1.00 11.08 C ANISOU 2065 CB LYS A 127 1407 1177 1628 36 -213 -283 C ATOM 2066 CG LYS A 127 -12.338 17.980 24.247 1.00 11.59 C ANISOU 2066 CG LYS A 127 1471 1284 1650 18 -173 -270 C ATOM 2067 CD LYS A 127 -12.759 17.851 25.712 1.00 15.04 C ANISOU 2067 CD LYS A 127 1870 1763 2080 25 -153 -320 C ATOM 2068 CE LYS A 127 -11.750 17.142 26.564 1.00 16.36 C ANISOU 2068 CE LYS A 127 2037 1971 2207 9 -120 -310 C ATOM 2069 NZ LYS A 127 -12.228 17.165 27.973 1.00 22.55 N ANISOU 2069 NZ LYS A 127 2786 2797 2983 14 -106 -360 N ATOM 0 H LYS A 127 -13.807 17.124 21.836 1.00 7.71 H new ATOM 0 HA LYS A 127 -13.735 19.739 21.789 1.00 8.66 H new ATOM 0 HB2 LYS A 127 -13.299 19.711 23.959 1.00 11.08 H new ATOM 0 HB3 LYS A 127 -14.210 18.466 23.733 1.00 11.08 H new ATOM 0 HG2 LYS A 127 -12.293 17.106 23.830 1.00 11.59 H new ATOM 0 HG3 LYS A 127 -11.453 18.371 24.182 1.00 11.59 H new ATOM 0 HD2 LYS A 127 -12.914 18.737 26.076 1.00 15.04 H new ATOM 0 HD3 LYS A 127 -13.603 17.374 25.758 1.00 15.04 H new ATOM 0 HE2 LYS A 127 -11.635 16.228 26.261 1.00 16.36 H new ATOM 0 HE3 LYS A 127 -10.885 17.575 26.494 1.00 16.36 H new ATOM 0 HZ1 LYS A 127 -11.601 16.825 28.505 1.00 22.55 H new ATOM 0 HZ2 LYS A 127 -12.399 18.004 28.215 1.00 22.55 H new ATOM 0 HZ3 LYS A 127 -12.970 16.679 28.043 1.00 22.55 H new ATOM 2083 N TYR A 128 -11.014 18.414 21.039 1.00 7.44 N ANISOU 2083 N TYR A 128 1032 674 1120 -15 -209 -155 N ATOM 2084 CA TYR A 128 -9.660 18.684 20.609 1.00 7.68 C ANISOU 2084 CA TYR A 128 1085 695 1138 -40 -202 -122 C ATOM 2085 C TYR A 128 -9.573 19.128 19.155 1.00 8.52 C ANISOU 2085 C TYR A 128 1227 763 1246 -54 -227 -80 C ATOM 2086 O TYR A 128 -8.464 19.374 18.673 1.00 10.00 O ANISOU 2086 O TYR A 128 1434 944 1421 -80 -220 -50 O ATOM 2087 CB TYR A 128 -8.739 17.481 20.889 1.00 8.02 C ANISOU 2087 CB TYR A 128 1125 784 1138 -53 -161 -109 C ATOM 2088 CG TYR A 128 -8.704 17.147 22.369 1.00 7.17 C ANISOU 2088 CG TYR A 128 988 712 1025 -43 -140 -146 C ATOM 2089 CD1 TYR A 128 -8.293 18.103 23.293 1.00 8.82 C ANISOU 2089 CD1 TYR A 128 1181 914 1256 -42 -147 -175 C ATOM 2090 CD2 TYR A 128 -9.050 15.902 22.852 1.00 7.70 C ANISOU 2090 CD2 TYR A 128 1043 819 1064 -38 -116 -151 C ATOM 2091 CE1 TYR A 128 -8.253 17.808 24.635 1.00 8.48 C ANISOU 2091 CE1 TYR A 128 1112 907 1203 -35 -129 -208 C ATOM 2092 CE2 TYR A 128 -9.005 15.609 24.183 1.00 8.14 C ANISOU 2092 CE2 TYR A 128 1075 908 1109 -34 -99 -180 C ATOM 2093 CZ TYR A 128 -8.597 16.575 25.083 1.00 8.79 C ANISOU 2093 CZ TYR A 128 1142 987 1210 -32 -105 -209 C ATOM 2094 OH TYR A 128 -8.561 16.327 26.429 1.00 9.58 O ANISOU 2094 OH TYR A 128 1221 1125 1296 -29 -89 -239 O ATOM 0 H TYR A 128 -11.292 17.619 20.864 1.00 7.44 H new ATOM 0 HA TYR A 128 -9.347 19.435 21.138 1.00 7.68 H new ATOM 0 HB2 TYR A 128 -9.049 16.710 20.388 1.00 8.02 H new ATOM 0 HB3 TYR A 128 -7.842 17.679 20.578 1.00 8.02 H new ATOM 0 HD1 TYR A 128 -8.043 18.949 23.000 1.00 8.82 H new ATOM 0 HD2 TYR A 128 -9.321 15.244 22.253 1.00 7.70 H new ATOM 0 HE1 TYR A 128 -7.987 18.461 25.242 1.00 8.48 H new ATOM 0 HE2 TYR A 128 -9.248 14.763 24.484 1.00 8.14 H new ATOM 0 HH TYR A 128 -8.400 15.513 26.560 1.00 9.58 H new ATOM 2104 N GLY A 129 -10.710 19.265 18.477 1.00 8.62 N ANISOU 2104 N GLY A 129 1248 751 1275 -39 -256 -78 N ATOM 2105 CA GLY A 129 -10.732 19.954 17.195 1.00 9.84 C ANISOU 2105 CA GLY A 129 1439 862 1437 -51 -290 -40 C ATOM 2106 C GLY A 129 -10.287 19.163 15.964 1.00 9.40 C ANISOU 2106 C GLY A 129 1413 822 1338 -74 -275 6 C ATOM 2107 O GLY A 129 -10.897 19.281 14.896 1.00 10.58 O ANISOU 2107 O GLY A 129 1586 948 1486 -73 -303 30 O ATOM 0 H GLY A 129 -11.473 18.968 18.741 1.00 8.62 H new ATOM 0 HA2 GLY A 129 -11.636 20.268 17.039 1.00 9.84 H new ATOM 0 HA3 GLY A 129 -10.167 20.739 17.267 1.00 9.84 H new ATOM 2111 N AASP A 130 -9.212 18.385 16.066 0.95 8.91 N ANISOU 2111 N AASP A 130 1347 798 1239 -93 -234 18 N ATOM 2112 CA AASP A 130 -8.770 17.512 14.976 0.95 9.06 C ANISOU 2112 CA AASP A 130 1386 840 1215 -111 -215 52 C ATOM 2113 C AASP A 130 -8.109 16.266 15.534 0.95 7.56 C ANISOU 2113 C AASP A 130 1176 701 997 -112 -172 40 C ATOM 2114 O AASP A 130 -7.678 16.228 16.697 0.95 8.91 O ANISOU 2114 O AASP A 130 1323 887 1175 -106 -155 15 O ATOM 2115 CB AASP A 130 -7.881 18.239 13.924 0.95 9.99 C ANISOU 2115 CB AASP A 130 1537 938 1319 -148 -224 93 C ATOM 2116 CG AASP A 130 -6.477 18.651 14.422 0.95 12.29 C ANISOU 2116 CG AASP A 130 1823 1239 1609 -174 -201 94 C ATOM 2117 OD1AASP A 130 -5.617 17.780 14.668 0.95 11.45 O ANISOU 2117 OD1AASP A 130 1701 1175 1476 -182 -163 88 O ATOM 2118 OD2AASP A 130 -6.158 19.868 14.467 0.95 12.85 O ANISOU 2118 OD2AASP A 130 1905 1273 1705 -190 -223 103 O ATOM 0 H AASP A 130 -8.717 18.347 16.768 0.95 8.91 H new ATOM 0 HA AASP A 130 -9.562 17.241 14.486 0.95 9.06 H new ATOM 0 HB2AASP A 130 -7.778 17.660 13.153 0.95 9.99 H new ATOM 0 HB3AASP A 130 -8.347 19.034 13.621 0.95 9.99 H new ATOM 2123 N PHE A 131 -8.051 15.239 14.710 1.00 8.76 N ANISOU 2123 N PHE A 131 1336 876 1115 -117 -157 57 N ATOM 2124 CA PHE A 131 -7.525 13.936 15.103 1.00 7.66 C ANISOU 2124 CA PHE A 131 1180 780 951 -114 -122 47 C ATOM 2125 C PHE A 131 -6.076 14.035 15.562 1.00 7.45 C ANISOU 2125 C PHE A 131 1145 771 916 -133 -99 45 C ATOM 2126 O PHE A 131 -5.681 13.379 16.518 1.00 7.73 O ANISOU 2126 O PHE A 131 1158 830 947 -124 -79 25 O ATOM 2127 CB PHE A 131 -7.695 12.948 13.927 1.00 7.75 C ANISOU 2127 CB PHE A 131 1204 807 932 -117 -117 65 C ATOM 2128 CG PHE A 131 -7.132 11.598 14.172 1.00 7.89 C ANISOU 2128 CG PHE A 131 1207 863 927 -114 -88 55 C ATOM 2129 CD1 PHE A 131 -7.877 10.635 14.796 1.00 8.83 C ANISOU 2129 CD1 PHE A 131 1310 994 1050 -93 -84 37 C ATOM 2130 CD2 PHE A 131 -5.847 11.281 13.801 1.00 9.68 C ANISOU 2130 CD2 PHE A 131 1434 1113 1130 -134 -66 61 C ATOM 2131 CE1 PHE A 131 -7.365 9.374 15.034 1.00 9.10 C ANISOU 2131 CE1 PHE A 131 1333 1057 1068 -90 -63 30 C ATOM 2132 CE2 PHE A 131 -5.343 10.001 14.055 1.00 11.80 C ANISOU 2132 CE2 PHE A 131 1687 1412 1384 -126 -45 48 C ATOM 2133 CZ PHE A 131 -6.120 9.073 14.675 1.00 10.49 C ANISOU 2133 CZ PHE A 131 1510 1252 1225 -104 -46 34 C ATOM 0 H APHE A 131 -8.318 15.273 13.893 0.95 8.76 H new ATOM 0 HA PHE A 131 -8.027 13.603 15.864 1.00 7.66 H new ATOM 0 HB2 PHE A 131 -8.640 12.860 13.727 1.00 7.75 H new ATOM 0 HB3 PHE A 131 -7.272 13.324 13.139 1.00 7.75 H new ATOM 0 HD1 PHE A 131 -8.745 10.833 15.065 1.00 8.83 H new ATOM 0 HD2 PHE A 131 -5.313 11.917 13.382 1.00 9.68 H new ATOM 0 HE1 PHE A 131 -7.894 8.731 15.448 1.00 9.10 H new ATOM 0 HE2 PHE A 131 -4.475 9.784 13.800 1.00 11.80 H new ATOM 0 HZ PHE A 131 -5.780 8.225 14.849 1.00 10.49 H new ATOM 2143 N GLY A 132 -5.273 14.823 14.850 1.00 8.79 N ANISOU 2143 N GLY A 132 1332 929 1080 -161 -101 67 N ATOM 2144 CA GLY A 132 -3.875 14.979 15.192 1.00 9.17 C ANISOU 2144 CA GLY A 132 1369 993 1120 -182 -79 64 C ATOM 2145 C GLY A 132 -3.656 15.600 16.550 1.00 8.38 C ANISOU 2145 C GLY A 132 1250 885 1049 -173 -81 38 C ATOM 2146 O GLY A 132 -2.724 15.233 17.274 1.00 9.68 O ANISOU 2146 O GLY A 132 1395 1074 1208 -175 -60 21 O ATOM 0 H GLY A 132 -5.526 15.275 14.163 1.00 8.79 H new ATOM 0 HA2 GLY A 132 -3.444 14.110 15.168 1.00 9.17 H new ATOM 0 HA3 GLY A 132 -3.444 15.529 14.519 1.00 9.17 H new ATOM 2150 N ALYS A 133 -4.547 16.492 16.955 0.76 5.49 N ANISOU 2150 N ALYS A 133 886 485 715 -159 -108 29 N ATOM 2151 CA ALYS A 133 -4.509 17.031 18.291 0.76 5.72 C ANISOU 2151 CA ALYS A 133 894 510 771 -147 -112 -2 C ATOM 2152 CA BLYS A 133 -4.083 17.258 18.643 0.24 14.55 C ANISOU 2152 CA BLYS A 133 2006 1629 1894 -151 -108 -8 C ATOM 2153 C ALYS A 133 -5.010 15.998 19.311 0.76 4.81 C ANISOU 2153 C ALYS A 133 754 426 648 -121 -97 -29 C ATOM 2154 O ALYS A 133 -4.446 15.862 20.403 0.76 5.71 O ANISOU 2154 O ALYS A 133 849 560 762 -117 -84 -52 O ATOM 2155 CB ALYS A 133 -5.313 18.341 18.372 0.76 8.70 C ANISOU 2155 CB ALYS A 133 1278 840 1188 -139 -149 -8 C ATOM 2156 CB BLYS A 133 -5.211 18.279 18.539 0.24 11.31 C ANISOU 2156 CB BLYS A 133 1604 1175 1517 -139 -145 -12 C ATOM 2157 CG ALYS A 133 -4.625 19.534 17.690 0.76 14.98 C ANISOU 2157 CG ALYS A 133 2095 1599 1996 -170 -166 18 C ATOM 2158 CG BLYS A 133 -5.261 19.194 19.719 0.24 8.38 C ANISOU 2158 CG BLYS A 133 1213 788 1181 -127 -158 -46 C ATOM 2159 CD ALYS A 133 -3.282 19.874 18.322 0.76 14.30 C ANISOU 2159 CD ALYS A 133 1996 1525 1913 -190 -147 8 C ATOM 2160 CD BLYS A 133 -3.873 19.546 20.207 0.24 8.99 C ANISOU 2160 CD BLYS A 133 1283 875 1258 -148 -142 -50 C ATOM 2161 CE ALYS A 133 -3.408 20.981 19.333 0.76 22.02 C ANISOU 2161 CE ALYS A 133 2959 2473 2933 -179 -169 -21 C ATOM 2162 CE BLYS A 133 -3.908 20.786 21.067 0.24 13.11 C ANISOU 2162 CE BLYS A 133 1793 1368 1822 -142 -165 -78 C ATOM 2163 NZ ALYS A 133 -3.817 22.213 18.627 0.76 22.65 N ANISOU 2163 NZ ALYS A 133 3066 2497 3044 -191 -210 -1 N ATOM 2164 NZ BLYS A 133 -5.124 20.804 21.900 0.24 15.91 N ANISOU 2164 NZ BLYS A 133 2128 1723 2195 -108 -178 -115 N ATOM 0 H ALYS A 133 -5.184 16.797 16.464 0.76 5.49 H new ATOM 0 HA ALYS A 133 -3.587 17.237 18.512 0.76 14.55 H new ATOM 0 HA BLYS A 133 -3.208 17.528 18.963 0.24 14.55 H new ATOM 0 HB2ALYS A 133 -6.182 18.203 17.964 0.76 11.31 H new ATOM 0 HB2BLYS A 133 -5.096 18.803 17.731 0.24 11.31 H new ATOM 0 HB3ALYS A 133 -5.469 18.558 19.305 0.76 11.31 H new ATOM 0 HB3BLYS A 133 -6.058 17.814 18.457 0.24 11.31 H new ATOM 0 HG2ALYS A 133 -4.495 19.334 16.750 0.76 8.38 H new ATOM 0 HG2BLYS A 133 -5.737 20.005 19.481 0.24 8.38 H new ATOM 0 HG3ALYS A 133 -5.207 20.309 17.737 0.76 8.38 H new ATOM 0 HG3BLYS A 133 -5.760 18.772 20.436 0.24 8.38 H new ATOM 0 HD2ALYS A 133 -2.916 19.084 18.750 0.76 8.99 H new ATOM 0 HD2BLYS A 133 -3.506 18.805 20.714 0.24 8.99 H new ATOM 0 HD3ALYS A 133 -2.656 20.137 17.630 0.76 8.99 H new ATOM 0 HD3BLYS A 133 -3.285 19.689 19.449 0.24 8.99 H new ATOM 0 HE2ALYS A 133 -4.062 20.747 20.010 0.76 13.11 H new ATOM 0 HE2BLYS A 133 -3.121 20.815 21.633 0.24 13.11 H new ATOM 0 HE3ALYS A 133 -2.564 21.118 19.790 0.76 13.11 H new ATOM 0 HE3BLYS A 133 -3.883 21.576 20.505 0.24 13.11 H new ATOM 0 HZ1ALYS A 133 -3.469 22.921 19.039 0.76 15.91 H new ATOM 0 HZ1BLYS A 133 -5.015 21.378 22.572 0.24 15.91 H new ATOM 0 HZ2ALYS A 133 -3.524 22.185 17.787 0.76 15.91 H new ATOM 0 HZ2BLYS A 133 -5.819 21.056 21.405 0.24 15.91 H new ATOM 0 HZ3ALYS A 133 -4.705 22.276 18.629 0.76 15.91 H new ATOM 0 HZ3BLYS A 133 -5.272 19.990 22.227 0.24 15.91 H new ATOM 2191 N ALA A 134 -6.072 15.286 18.951 1.00 6.64 N ANISOU 2191 N ALA A 134 990 662 872 -105 -101 -26 N ATOM 2192 CA ALA A 134 -6.685 14.327 19.860 1.00 6.73 C ANISOU 2192 CA ALA A 134 981 700 875 -86 -89 -48 C ATOM 2193 C ALA A 134 -5.691 13.235 20.266 1.00 6.77 C ANISOU 2193 C ALA A 134 978 741 853 -91 -62 -48 C ATOM 2194 O ALA A 134 -5.685 12.809 21.424 1.00 6.75 O ANISOU 2194 O ALA A 134 958 759 846 -82 -53 -68 O ATOM 2195 CB ALA A 134 -7.896 13.723 19.210 1.00 7.00 C ANISOU 2195 CB ALA A 134 1021 731 906 -73 -97 -42 C ATOM 0 H AALA A 134 -6.453 15.344 18.182 0.76 6.64 H new ATOM 0 HA ALA A 134 -6.953 14.793 20.667 1.00 6.73 H new ATOM 0 HB1 ALA A 134 -8.304 13.084 19.816 1.00 7.00 H new ATOM 0 HB2 ALA A 134 -8.534 14.423 19.001 1.00 7.00 H new ATOM 0 HB3 ALA A 134 -7.633 13.271 18.393 1.00 7.00 H new ATOM 2201 N VAL A 135 -4.877 12.747 19.344 1.00 6.45 N ANISOU 2201 N VAL A 135 950 709 794 -105 -52 -27 N ATOM 2202 CA VAL A 135 -3.995 11.654 19.711 1.00 6.59 C ANISOU 2202 CA VAL A 135 957 757 789 -105 -32 -31 C ATOM 2203 C VAL A 135 -2.892 12.064 20.675 1.00 6.79 C ANISOU 2203 C VAL A 135 968 792 820 -111 -25 -47 C ATOM 2204 O VAL A 135 -2.188 11.197 21.219 1.00 6.95 O ANISOU 2204 O VAL A 135 978 836 826 -107 -14 -55 O ATOM 2205 CB VAL A 135 -3.349 10.961 18.506 1.00 6.13 C ANISOU 2205 CB VAL A 135 909 710 710 -117 -22 -13 C ATOM 2206 CG1 VAL A 135 -4.405 10.325 17.619 1.00 9.66 C ANISOU 2206 CG1 VAL A 135 1369 1153 1149 -109 -29 -1 C ATOM 2207 CG2 VAL A 135 -2.471 11.911 17.684 1.00 7.60 C ANISOU 2207 CG2 VAL A 135 1105 888 896 -142 -20 0 C ATOM 0 H VAL A 135 -4.819 13.021 18.531 1.00 6.45 H new ATOM 0 HA VAL A 135 -4.587 11.028 20.156 1.00 6.59 H new ATOM 0 HB VAL A 135 -2.771 10.267 18.861 1.00 6.13 H new ATOM 0 HG11 VAL A 135 -3.976 9.893 16.864 1.00 9.66 H new ATOM 0 HG12 VAL A 135 -4.902 9.666 18.129 1.00 9.66 H new ATOM 0 HG13 VAL A 135 -5.012 11.009 17.297 1.00 9.66 H new ATOM 0 HG21 VAL A 135 -2.085 11.429 16.935 1.00 7.60 H new ATOM 0 HG22 VAL A 135 -3.011 12.645 17.352 1.00 7.60 H new ATOM 0 HG23 VAL A 135 -1.760 12.261 18.244 1.00 7.60 H new ATOM 2217 N GLN A 136 -2.744 13.363 20.920 1.00 6.81 N ANISOU 2217 N GLN A 136 969 774 844 -118 -34 -53 N ATOM 2218 CA AGLN A 136 -1.765 13.850 21.891 0.70 7.67 C ANISOU 2218 CA AGLN A 136 1063 890 961 -123 -30 -73 C ATOM 2219 CA BGLN A 136 -1.766 13.849 21.886 0.30 8.71 C ANISOU 2219 CA BGLN A 136 1195 1023 1093 -123 -30 -72 C ATOM 2220 C GLN A 136 -2.367 14.003 23.279 1.00 7.99 C ANISOU 2220 C GLN A 136 1088 937 1010 -105 -36 -100 C ATOM 2221 O GLN A 136 -1.698 14.519 24.182 1.00 9.39 O ANISOU 2221 O GLN A 136 1252 1120 1196 -106 -36 -120 O ATOM 2222 CB AGLN A 136 -1.187 15.185 21.425 0.70 8.33 C ANISOU 2222 CB AGLN A 136 1152 948 1064 -144 -38 -66 C ATOM 2223 CB BGLN A 136 -1.185 15.185 21.422 0.30 10.14 C ANISOU 2223 CB BGLN A 136 1382 1178 1294 -144 -38 -66 C ATOM 2224 CG AGLN A 136 -0.550 15.133 20.054 0.70 11.06 C ANISOU 2224 CG AGLN A 136 1514 1293 1397 -169 -30 -39 C ATOM 2225 CG BGLN A 136 -0.355 15.085 20.154 0.30 11.50 C ANISOU 2225 CG BGLN A 136 1567 1353 1451 -170 -27 -42 C ATOM 2226 CD AGLN A 136 -0.050 16.489 19.611 0.70 13.65 C ANISOU 2226 CD AGLN A 136 1851 1592 1743 -196 -39 -28 C ATOM 2227 CD BGLN A 136 0.797 14.109 20.278 0.30 12.08 C ANISOU 2227 CD BGLN A 136 1624 1461 1504 -172 -6 -50 C ATOM 2228 OE1AGLN A 136 0.864 17.059 20.222 0.70 17.08 O ANISOU 2228 OE1AGLN A 136 2272 2028 2190 -207 -36 -43 O ATOM 2229 OE1BGLN A 136 1.065 13.335 19.364 0.30 16.97 O ANISOU 2229 OE1BGLN A 136 2249 2097 2102 -179 5 -38 O ATOM 2230 NE2AGLN A 136 -0.655 17.032 18.571 0.70 13.96 N ANISOU 2230 NE2AGLN A 136 1915 1604 1785 -208 -55 -1 N ATOM 2231 NE2BGLN A 136 1.486 14.144 21.409 0.30 17.75 N ANISOU 2231 NE2BGLN A 136 2322 2192 2228 -166 -3 -75 N ATOM 0 H AGLN A 136 -3.201 13.981 20.534 0.70 6.81 H new ATOM 0 H BGLN A 136 -3.202 13.981 20.535 0.30 6.81 H new ATOM 0 HA AGLN A 136 -1.057 13.189 21.949 0.70 8.71 H new ATOM 0 HA BGLN A 136 -1.059 13.187 21.940 0.30 8.71 H new ATOM 0 HB2AGLN A 136 -1.894 15.849 21.418 0.70 10.14 H new ATOM 0 HB2BGLN A 136 -1.912 15.810 21.274 0.30 10.14 H new ATOM 0 HB3AGLN A 136 -0.525 15.483 22.068 0.70 10.14 H new ATOM 0 HB3BGLN A 136 -0.634 15.552 22.131 0.30 10.14 H new ATOM 0 HG2AGLN A 136 0.189 14.504 20.065 0.70 11.50 H new ATOM 0 HG2BGLN A 136 -0.927 14.812 19.420 0.30 11.50 H new ATOM 0 HG3AGLN A 136 -1.195 14.801 19.411 0.70 11.50 H new ATOM 0 HG3BGLN A 136 -0.007 15.962 19.931 0.30 11.50 H new ATOM 0 HE21AGLN A 136 -1.286 16.607 18.171 0.70 17.75 H new ATOM 0 HE21BGLN A 136 1.269 14.700 22.028 0.30 17.75 H new ATOM 0 HE22AGLN A 136 -0.418 17.811 18.294 0.70 17.75 H new ATOM 0 HE22BGLN A 136 2.150 13.610 21.524 0.30 17.75 H new ATOM 2248 N GLN A 137 -3.614 13.553 23.467 1.00 6.76 N ANISOU 2248 N GLN A 137 933 784 852 -90 -39 -103 N ATOM 2249 CA GLN A 137 -4.322 13.715 24.743 1.00 7.07 C ANISOU 2249 CA GLN A 137 956 836 896 -77 -42 -131 C ATOM 2250 C GLN A 137 -4.669 12.368 25.335 1.00 6.10 C ANISOU 2250 C GLN A 137 829 744 746 -70 -30 -130 C ATOM 2251 O GLN A 137 -4.995 11.426 24.596 1.00 6.91 O ANISOU 2251 O GLN A 137 942 848 835 -70 -26 -110 O ATOM 2252 CB GLN A 137 -5.623 14.481 24.549 1.00 7.23 C ANISOU 2252 CB GLN A 137 974 833 940 -68 -58 -142 C ATOM 2253 CG GLN A 137 -5.533 15.679 23.630 1.00 10.42 C ANISOU 2253 CG GLN A 137 1391 1196 1372 -75 -78 -132 C ATOM 2254 CD GLN A 137 -4.510 16.642 24.054 1.00 11.46 C ANISOU 2254 CD GLN A 137 1518 1318 1520 -85 -82 -142 C ATOM 2255 OE1 GLN A 137 -4.287 16.834 25.255 1.00 11.48 O ANISOU 2255 OE1 GLN A 137 1501 1337 1525 -78 -78 -172 O ATOM 2256 NE2 GLN A 137 -3.846 17.283 23.070 1.00 13.09 N ANISOU 2256 NE2 GLN A 137 1741 1497 1736 -104 -89 -118 N ATOM 0 H GLN A 137 -4.070 13.147 22.861 1.00 6.76 H new ATOM 0 HA GLN A 137 -3.731 14.204 25.337 1.00 7.07 H new ATOM 0 HB2 GLN A 137 -6.291 13.872 24.198 1.00 7.23 H new ATOM 0 HB3 GLN A 137 -5.938 14.779 25.416 1.00 7.23 H new ATOM 0 HG2 GLN A 137 -5.334 15.377 22.730 1.00 10.42 H new ATOM 0 HG3 GLN A 137 -6.395 16.122 23.597 1.00 10.42 H new ATOM 0 HE21 GLN A 137 -4.033 17.119 22.247 1.00 13.09 H new ATOM 0 HE22 GLN A 137 -3.235 17.856 23.266 1.00 13.09 H new ATOM 2265 N PRO A 138 -4.667 12.247 26.672 1.00 7.27 N ANISOU 2265 N PRO A 138 963 916 883 -66 -26 -152 N ATOM 2266 CA APRO A 138 -4.960 10.950 27.289 0.49 7.05 C ANISOU 2266 CA APRO A 138 936 917 826 -65 -17 -146 C ATOM 2267 CA BPRO A 138 -4.979 10.974 27.331 0.51 7.30 C ANISOU 2267 CA BPRO A 138 966 949 858 -65 -17 -147 C ATOM 2268 C PRO A 138 -6.391 10.478 27.071 1.00 7.71 C ANISOU 2268 C PRO A 138 1020 1003 908 -62 -15 -143 C ATOM 2269 O PRO A 138 -6.622 9.275 27.166 1.00 10.25 O ANISOU 2269 O PRO A 138 1348 1339 1208 -65 -9 -128 O ATOM 2270 CB APRO A 138 -4.691 11.208 28.774 0.49 8.12 C ANISOU 2270 CB APRO A 138 1056 1078 950 -64 -15 -171 C ATOM 2271 CB BPRO A 138 -4.783 11.293 28.822 0.51 9.87 C ANISOU 2271 CB BPRO A 138 1277 1299 1173 -64 -15 -174 C ATOM 2272 CG APRO A 138 -4.861 12.650 28.912 0.49 7.41 C ANISOU 2272 CG APRO A 138 955 973 889 -61 -22 -198 C ATOM 2273 CG BPRO A 138 -3.792 12.383 28.848 0.51 10.96 C ANISOU 2273 CG BPRO A 138 1410 1424 1332 -65 -21 -187 C ATOM 2274 CD APRO A 138 -4.341 13.266 27.678 0.49 8.44 C ANISOU 2274 CD APRO A 138 1095 1068 1043 -64 -30 -182 C ATOM 2275 CD BPRO A 138 -4.055 13.209 27.605 0.51 6.54 C ANISOU 2275 CD BPRO A 138 857 827 801 -66 -30 -178 C ATOM 0 HA APRO A 138 -4.422 10.242 26.902 0.49 7.30 H new ATOM 0 HA BPRO A 138 -4.416 10.258 26.997 0.51 7.30 H new ATOM 0 HB2APRO A 138 -5.311 10.721 29.338 0.49 9.87 H new ATOM 0 HB2BPRO A 138 -5.617 11.566 29.236 0.51 9.87 H new ATOM 0 HB3APRO A 138 -3.797 10.929 29.028 0.49 9.87 H new ATOM 0 HB3BPRO A 138 -4.465 10.517 29.309 0.51 9.87 H new ATOM 0 HG2APRO A 138 -5.796 12.875 29.040 0.49 10.96 H new ATOM 0 HG2BPRO A 138 -3.887 12.921 29.650 0.51 10.96 H new ATOM 0 HG3APRO A 138 -4.381 12.979 29.688 0.49 10.96 H new ATOM 0 HG3BPRO A 138 -2.888 12.032 28.848 0.51 10.96 H new ATOM 0 HD2APRO A 138 -4.769 14.115 27.487 0.49 6.54 H new ATOM 0 HD2BPRO A 138 -4.649 13.953 27.790 0.51 6.54 H new ATOM 0 HD3APRO A 138 -3.387 13.434 27.729 0.49 6.54 H new ATOM 0 HD3BPRO A 138 -3.235 13.583 27.245 0.51 6.54 H new ATOM 2290 N ASP A 139 -7.295 11.393 26.765 1.00 6.98 N ANISOU 2290 N ASP A 139 920 893 839 -56 -22 -158 N ATOM 2291 CA ASP A 139 -8.686 11.068 26.441 1.00 6.93 C ANISOU 2291 CA ASP A 139 910 886 836 -52 -23 -160 C ATOM 2292 C ASP A 139 -9.048 11.511 25.037 1.00 5.94 C ANISOU 2292 C ASP A 139 796 725 734 -47 -37 -146 C ATOM 2293 O ASP A 139 -10.168 11.936 24.774 1.00 7.32 O ANISOU 2293 O ASP A 139 963 889 927 -38 -48 -160 O ATOM 2294 CB ASP A 139 -9.654 11.670 27.465 1.00 9.24 C ANISOU 2294 CB ASP A 139 1178 1195 1136 -47 -22 -199 C ATOM 2295 CG ASP A 139 -9.569 13.148 27.561 1.00 8.71 C ANISOU 2295 CG ASP A 139 1101 1108 1102 -38 -37 -226 C ATOM 2296 OD1 ASP A 139 -8.649 13.757 27.008 1.00 9.03 O ANISOU 2296 OD1 ASP A 139 1153 1121 1155 -39 -47 -213 O ATOM 2297 OD2 ASP A 139 -10.452 13.719 28.262 1.00 11.68 O ANISOU 2297 OD2 ASP A 139 1452 1495 1490 -30 -39 -265 O ATOM 0 H ASP A 139 -7.122 12.235 26.737 1.00 6.98 H new ATOM 0 HA ASP A 139 -8.770 10.102 26.480 1.00 6.93 H new ATOM 0 HB2 ASP A 139 -10.561 11.420 27.228 1.00 9.24 H new ATOM 0 HB3 ASP A 139 -9.472 11.285 28.337 1.00 9.24 H new ATOM 2302 N GLY A 140 -8.102 11.376 24.121 1.00 5.79 N ANISOU 2302 N GLY A 140 796 692 711 -53 -39 -120 N ATOM 2303 CA GLY A 140 -8.319 11.864 22.780 1.00 5.72 C ANISOU 2303 CA GLY A 140 802 652 718 -53 -53 -103 C ATOM 2304 C GLY A 140 -9.154 10.973 21.882 1.00 4.60 C ANISOU 2304 C GLY A 140 670 510 569 -49 -55 -87 C ATOM 2305 O GLY A 140 -9.841 11.482 20.995 1.00 5.51 O ANISOU 2305 O GLY A 140 793 601 700 -45 -72 -83 O ATOM 0 H GLY A 140 -7.337 11.008 24.257 1.00 5.79 H new ATOM 0 HA2 GLY A 140 -8.748 12.732 22.835 1.00 5.72 H new ATOM 0 HA3 GLY A 140 -7.456 12.000 22.360 1.00 5.72 H new ATOM 2309 N LEU A 141 -9.048 9.667 22.059 1.00 4.87 N ANISOU 2309 N LEU A 141 705 566 580 -52 -41 -78 N ATOM 2310 CA ALEU A 141 -9.714 8.733 21.168 0.58 4.05 C ANISOU 2310 CA ALEU A 141 610 460 470 -50 -43 -63 C ATOM 2311 CA BLEU A 141 -9.700 8.720 21.171 0.42 4.70 C ANISOU 2311 CA BLEU A 141 692 543 552 -50 -43 -63 C ATOM 2312 C LEU A 141 -10.583 7.763 21.956 1.00 4.51 C ANISOU 2312 C LEU A 141 655 539 518 -49 -34 -72 C ATOM 2313 O LEU A 141 -10.296 7.469 23.133 1.00 4.83 O ANISOU 2313 O LEU A 141 687 601 547 -54 -23 -80 O ATOM 2314 CB ALEU A 141 -8.728 7.892 20.358 0.58 5.57 C ANISOU 2314 CB ALEU A 141 816 656 644 -55 -37 -41 C ATOM 2315 CB BLEU A 141 -8.673 7.885 20.411 0.42 6.64 C ANISOU 2315 CB BLEU A 141 952 792 779 -56 -37 -42 C ATOM 2316 CG ALEU A 141 -7.773 8.563 19.381 0.58 5.12 C ANISOU 2316 CG ALEU A 141 773 587 588 -63 -41 -28 C ATOM 2317 CG BLEU A 141 -8.212 8.377 19.043 0.42 5.16 C ANISOU 2317 CG BLEU A 141 780 587 592 -61 -44 -25 C ATOM 2318 CD1ALEU A 141 -7.110 7.477 18.552 0.58 6.50 C ANISOU 2318 CD1ALEU A 141 956 772 743 -67 -34 -15 C ATOM 2319 CD1BLEU A 141 -7.665 9.789 19.099 0.42 7.72 C ANISOU 2319 CD1BLEU A 141 1107 896 930 -68 -50 -28 C ATOM 2320 CD2ALEU A 141 -8.471 9.540 18.459 0.58 5.50 C ANISOU 2320 CD2ALEU A 141 831 608 650 -63 -58 -22 C ATOM 2321 CD2BLEU A 141 -7.160 7.428 18.496 0.42 6.95 C ANISOU 2321 CD2BLEU A 141 1013 829 800 -66 -34 -14 C ATOM 0 H ALEU A 141 -8.594 9.300 22.690 0.58 4.87 H new ATOM 0 H BLEU A 141 -8.597 9.304 22.695 0.42 4.87 H new ATOM 0 HA ALEU A 141 -10.247 9.277 20.567 0.58 4.70 H new ATOM 0 HA BLEU A 141 -10.234 9.238 20.549 0.42 4.70 H new ATOM 0 HB2ALEU A 141 -8.188 7.392 20.991 0.58 6.64 H new ATOM 0 HB2BLEU A 141 -7.888 7.797 20.974 0.42 6.64 H new ATOM 0 HB3ALEU A 141 -9.247 7.245 19.855 0.58 6.64 H new ATOM 0 HB3BLEU A 141 -9.041 6.995 20.297 0.42 6.64 H new ATOM 0 HG ALEU A 141 -7.124 9.071 19.892 0.58 5.16 H new ATOM 0 HG BLEU A 141 -8.983 8.393 18.454 0.42 5.16 H new ATOM 0 HD11ALEU A 141 -6.495 7.882 17.920 0.58 7.72 H new ATOM 0 HD11BLEU A 141 -7.384 10.063 18.212 0.42 7.72 H new ATOM 0 HD12ALEU A 141 -6.623 6.875 19.137 0.58 7.72 H new ATOM 0 HD12BLEU A 141 -8.355 10.391 19.419 0.42 7.72 H new ATOM 0 HD13ALEU A 141 -7.788 6.979 18.069 0.58 7.72 H new ATOM 0 HD13BLEU A 141 -6.906 9.818 19.702 0.42 7.72 H new ATOM 0 HD21ALEU A 141 -7.822 9.939 17.859 0.58 6.95 H new ATOM 0 HD21BLEU A 141 -6.865 7.739 17.626 0.42 6.95 H new ATOM 0 HD22ALEU A 141 -9.145 9.072 17.941 0.58 6.95 H new ATOM 0 HD22BLEU A 141 -6.403 7.399 19.102 0.42 6.95 H new ATOM 0 HD23ALEU A 141 -8.894 10.236 18.985 0.58 6.95 H new ATOM 0 HD23BLEU A 141 -7.539 6.539 18.410 0.42 6.95 H new ATOM 2344 N ALA A 142 -11.620 7.242 21.313 1.00 5.13 N ANISOU 2344 N ALA A 142 735 613 602 -45 -39 -69 N ATOM 2345 CA ALA A 142 -12.395 6.118 21.836 1.00 4.96 C ANISOU 2345 CA ALA A 142 705 609 570 -50 -30 -71 C ATOM 2346 C ALA A 142 -12.466 5.089 20.734 1.00 4.85 C ANISOU 2346 C ALA A 142 705 586 551 -49 -36 -51 C ATOM 2347 O ALA A 142 -12.847 5.422 19.610 1.00 4.95 O ANISOU 2347 O ALA A 142 724 582 574 -42 -48 -48 O ATOM 2348 CB ALA A 142 -13.781 6.559 22.233 1.00 5.36 C ANISOU 2348 CB ALA A 142 735 666 637 -47 -32 -97 C ATOM 0 H ALA A 142 -11.899 7.532 20.553 1.00 5.13 H new ATOM 0 HA ALA A 142 -11.975 5.752 22.630 1.00 4.96 H new ATOM 0 HB1 ALA A 142 -14.277 5.799 22.576 1.00 5.36 H new ATOM 0 HB2 ALA A 142 -13.719 7.241 22.920 1.00 5.36 H new ATOM 0 HB3 ALA A 142 -14.240 6.921 21.459 1.00 5.36 H new ATOM 2354 N VAL A 143 -12.032 3.868 21.009 1.00 4.87 N ANISOU 2354 N VAL A 143 713 600 538 -56 -29 -38 N ATOM 2355 CA VAL A 143 -12.083 2.818 20.022 1.00 5.27 C ANISOU 2355 CA VAL A 143 775 643 586 -54 -35 -25 C ATOM 2356 C VAL A 143 -13.035 1.759 20.499 1.00 5.47 C ANISOU 2356 C VAL A 143 794 675 610 -63 -33 -24 C ATOM 2357 O VAL A 143 -12.899 1.250 21.611 1.00 5.30 O ANISOU 2357 O VAL A 143 770 668 576 -74 -25 -21 O ATOM 2358 CB VAL A 143 -10.695 2.221 19.709 1.00 4.63 C ANISOU 2358 CB VAL A 143 705 560 492 -53 -36 -12 C ATOM 2359 CG1 VAL A 143 -10.818 1.163 18.622 1.00 6.15 C ANISOU 2359 CG1 VAL A 143 907 745 685 -48 -44 -5 C ATOM 2360 CG2 VAL A 143 -9.728 3.322 19.268 1.00 6.48 C ANISOU 2360 CG2 VAL A 143 944 791 727 -50 -35 -14 C ATOM 0 H VAL A 143 -11.703 3.631 21.768 1.00 4.87 H new ATOM 0 HA VAL A 143 -12.397 3.198 19.187 1.00 5.27 H new ATOM 0 HB VAL A 143 -10.344 1.807 20.513 1.00 4.63 H new ATOM 0 HG11 VAL A 143 -9.942 0.792 18.430 1.00 6.15 H new ATOM 0 HG12 VAL A 143 -11.409 0.456 18.924 1.00 6.15 H new ATOM 0 HG13 VAL A 143 -11.181 1.566 17.818 1.00 6.15 H new ATOM 0 HG21 VAL A 143 -8.861 2.933 19.075 1.00 6.48 H new ATOM 0 HG22 VAL A 143 -10.072 3.755 18.471 1.00 6.48 H new ATOM 0 HG23 VAL A 143 -9.637 3.977 19.978 1.00 6.48 H new ATOM 2370 N LEU A 144 -14.009 1.470 19.642 1.00 4.92 N ANISOU 2370 N LEU A 144 722 596 551 -59 -40 -26 N ATOM 2371 CA LEU A 144 -14.926 0.375 19.872 1.00 4.99 C ANISOU 2371 CA LEU A 144 726 610 562 -69 -39 -25 C ATOM 2372 C LEU A 144 -14.361 -0.873 19.227 1.00 5.49 C ANISOU 2372 C LEU A 144 803 661 620 -68 -48 -9 C ATOM 2373 O LEU A 144 -14.136 -0.882 18.000 1.00 6.56 O ANISOU 2373 O LEU A 144 947 786 760 -55 -59 -8 O ATOM 2374 CB LEU A 144 -16.279 0.750 19.284 1.00 7.28 C ANISOU 2374 CB LEU A 144 1001 894 869 -64 -45 -41 C ATOM 2375 CG LEU A 144 -17.463 -0.169 19.484 1.00 8.78 C ANISOU 2375 CG LEU A 144 1180 1091 1066 -76 -43 -46 C ATOM 2376 CD1 LEU A 144 -17.739 -0.474 20.924 1.00 10.84 C ANISOU 2376 CD1 LEU A 144 1429 1375 1315 -99 -25 -48 C ATOM 2377 CD2 LEU A 144 -18.662 0.481 18.782 1.00 9.73 C ANISOU 2377 CD2 LEU A 144 1284 1204 1207 -65 -53 -68 C ATOM 0 H LEU A 144 -14.152 1.905 18.914 1.00 4.92 H new ATOM 0 HA LEU A 144 -15.041 0.200 20.819 1.00 4.99 H new ATOM 0 HB2 LEU A 144 -16.521 1.617 19.644 1.00 7.28 H new ATOM 0 HB3 LEU A 144 -16.158 0.863 18.328 1.00 7.28 H new ATOM 0 HG LEU A 144 -17.271 -1.036 19.095 1.00 8.78 H new ATOM 0 HD11 LEU A 144 -18.506 -1.065 20.989 1.00 10.84 H new ATOM 0 HD12 LEU A 144 -16.965 -0.906 21.318 1.00 10.84 H new ATOM 0 HD13 LEU A 144 -17.926 0.351 21.400 1.00 10.84 H new ATOM 0 HD21 LEU A 144 -19.444 -0.082 18.889 1.00 9.73 H new ATOM 0 HD22 LEU A 144 -18.834 1.351 19.175 1.00 9.73 H new ATOM 0 HD23 LEU A 144 -18.466 0.586 17.838 1.00 9.73 H new ATOM 2389 N GLY A 145 -14.092 -1.894 20.025 1.00 4.85 N ANISOU 2389 N GLY A 145 727 585 531 -80 -47 3 N ATOM 2390 CA GLY A 145 -13.528 -3.125 19.537 1.00 4.72 C ANISOU 2390 CA GLY A 145 723 554 515 -78 -60 15 C ATOM 2391 C GLY A 145 -14.554 -4.228 19.564 1.00 4.99 C ANISOU 2391 C GLY A 145 756 582 559 -91 -66 20 C ATOM 2392 O GLY A 145 -15.283 -4.376 20.548 1.00 6.05 O ANISOU 2392 O GLY A 145 884 728 688 -112 -56 23 O ATOM 0 H GLY A 145 -14.235 -1.886 20.873 1.00 4.85 H new ATOM 0 HA2 GLY A 145 -13.203 -3.001 18.631 1.00 4.72 H new ATOM 0 HA3 GLY A 145 -12.764 -3.374 20.080 1.00 4.72 H new ATOM 2396 N ILE A 146 -14.598 -4.997 18.490 1.00 4.40 N ANISOU 2396 N ILE A 146 686 491 495 -81 -80 19 N ATOM 2397 CA ILE A 146 -15.590 -6.055 18.315 1.00 4.30 C ANISOU 2397 CA ILE A 146 671 467 496 -92 -89 21 C ATOM 2398 C ILE A 146 -14.872 -7.297 17.810 1.00 4.36 C ANISOU 2398 C ILE A 146 692 455 511 -85 -110 27 C ATOM 2399 O ILE A 146 -14.153 -7.258 16.798 1.00 5.45 O ANISOU 2399 O ILE A 146 833 587 650 -63 -118 17 O ATOM 2400 CB ILE A 146 -16.673 -5.611 17.318 1.00 5.50 C ANISOU 2400 CB ILE A 146 811 618 659 -84 -90 4 C ATOM 2401 CG1 ILE A 146 -17.331 -4.316 17.793 1.00 8.30 C ANISOU 2401 CG1 ILE A 146 1151 991 1013 -87 -74 -7 C ATOM 2402 CG2 ILE A 146 -17.694 -6.703 17.077 1.00 7.22 C ANISOU 2402 CG2 ILE A 146 1024 826 895 -96 -99 3 C ATOM 2403 CD1 ILE A 146 -18.408 -3.743 16.870 1.00 7.06 C ANISOU 2403 CD1 ILE A 146 981 831 870 -75 -81 -26 C ATOM 0 H ILE A 146 -14.049 -4.923 17.832 1.00 4.40 H new ATOM 0 HA ILE A 146 -16.028 -6.248 19.159 1.00 4.30 H new ATOM 0 HB ILE A 146 -16.246 -5.438 16.465 1.00 5.50 H new ATOM 0 HG12 ILE A 146 -17.726 -4.474 18.665 1.00 8.30 H new ATOM 0 HG13 ILE A 146 -16.640 -3.646 17.912 1.00 8.30 H new ATOM 0 HG21 ILE A 146 -18.360 -6.390 16.445 1.00 7.22 H new ATOM 0 HG22 ILE A 146 -17.251 -7.487 16.717 1.00 7.22 H new ATOM 0 HG23 ILE A 146 -18.126 -6.933 17.914 1.00 7.22 H new ATOM 0 HD11 ILE A 146 -18.763 -2.927 17.255 1.00 7.06 H new ATOM 0 HD12 ILE A 146 -18.021 -3.549 16.002 1.00 7.06 H new ATOM 0 HD13 ILE A 146 -19.124 -4.390 16.767 1.00 7.06 H new ATOM 2415 N PHE A 147 -15.033 -8.408 18.497 1.00 4.85 N ANISOU 2415 N PHE A 147 762 504 578 -102 -120 43 N ATOM 2416 CA PHE A 147 -14.403 -9.651 18.091 1.00 5.30 C ANISOU 2416 CA PHE A 147 830 536 649 -94 -145 46 C ATOM 2417 C PHE A 147 -15.173 -10.279 16.947 1.00 5.44 C ANISOU 2417 C PHE A 147 842 539 686 -87 -158 32 C ATOM 2418 O PHE A 147 -16.396 -10.188 16.893 1.00 5.97 O ANISOU 2418 O PHE A 147 899 611 759 -101 -150 30 O ATOM 2419 CB PHE A 147 -14.388 -10.607 19.282 1.00 5.39 C ANISOU 2419 CB PHE A 147 855 535 659 -119 -157 72 C ATOM 2420 CG PHE A 147 -13.551 -10.131 20.438 1.00 5.06 C ANISOU 2420 CG PHE A 147 821 506 596 -125 -150 85 C ATOM 2421 CD1 PHE A 147 -12.191 -9.928 20.269 1.00 5.54 C ANISOU 2421 CD1 PHE A 147 886 565 654 -101 -159 77 C ATOM 2422 CD2 PHE A 147 -14.099 -9.852 21.682 1.00 6.01 C ANISOU 2422 CD2 PHE A 147 942 644 696 -155 -133 102 C ATOM 2423 CE1 PHE A 147 -11.417 -9.546 21.301 1.00 6.19 C ANISOU 2423 CE1 PHE A 147 975 659 719 -105 -156 88 C ATOM 2424 CE2 PHE A 147 -13.332 -9.440 22.713 1.00 5.70 C ANISOU 2424 CE2 PHE A 147 911 619 637 -159 -129 113 C ATOM 2425 CZ PHE A 147 -11.986 -9.270 22.535 1.00 6.10 C ANISOU 2425 CZ PHE A 147 966 663 687 -134 -142 106 C ATOM 0 H PHE A 147 -15.509 -8.467 19.211 1.00 4.85 H new ATOM 0 HA PHE A 147 -13.497 -9.472 17.795 1.00 5.30 H new ATOM 0 HB2 PHE A 147 -15.299 -10.742 19.588 1.00 5.39 H new ATOM 0 HB3 PHE A 147 -14.056 -11.470 18.988 1.00 5.39 H new ATOM 0 HD1 PHE A 147 -11.808 -10.057 19.431 1.00 5.54 H new ATOM 0 HD2 PHE A 147 -15.015 -9.951 21.808 1.00 6.01 H new ATOM 0 HE1 PHE A 147 -10.497 -9.467 21.186 1.00 6.19 H new ATOM 0 HE2 PHE A 147 -13.717 -9.272 23.543 1.00 5.70 H new ATOM 0 HZ PHE A 147 -11.456 -8.971 23.238 1.00 6.10 H new ATOM 2435 N LEU A 148 -14.451 -11.007 16.088 1.00 5.36 N ANISOU 2435 N LEU A 148 836 513 688 -67 -179 20 N ATOM 2436 CA LEU A 148 -15.017 -11.817 15.025 1.00 5.75 C ANISOU 2436 CA LEU A 148 881 546 757 -59 -197 5 C ATOM 2437 C LEU A 148 -14.671 -13.267 15.265 1.00 5.63 C ANISOU 2437 C LEU A 148 877 499 765 -62 -227 11 C ATOM 2438 O LEU A 148 -13.510 -13.623 15.463 1.00 6.45 O ANISOU 2438 O LEU A 148 988 594 870 -49 -242 10 O ATOM 2439 CB LEU A 148 -14.434 -11.421 13.683 1.00 6.00 C ANISOU 2439 CB LEU A 148 908 589 784 -30 -198 -21 C ATOM 2440 CG LEU A 148 -15.009 -10.174 13.008 1.00 5.87 C ANISOU 2440 CG LEU A 148 883 595 752 -26 -180 -30 C ATOM 2441 CD1 LEU A 148 -14.782 -8.902 13.823 1.00 6.57 C ANISOU 2441 CD1 LEU A 148 972 703 822 -33 -156 -17 C ATOM 2442 CD2 LEU A 148 -14.379 -9.999 11.632 1.00 6.84 C ANISOU 2442 CD2 LEU A 148 1005 729 865 -3 -185 -52 C ATOM 0 H LEU A 148 -13.592 -11.038 16.116 1.00 5.36 H new ATOM 0 HA LEU A 148 -15.978 -11.682 15.019 1.00 5.75 H new ATOM 0 HB2 LEU A 148 -13.480 -11.287 13.798 1.00 6.00 H new ATOM 0 HB3 LEU A 148 -14.544 -12.169 13.075 1.00 6.00 H new ATOM 0 HG LEU A 148 -15.967 -10.309 12.935 1.00 5.87 H new ATOM 0 HD11 LEU A 148 -15.164 -8.144 13.353 1.00 6.57 H new ATOM 0 HD12 LEU A 148 -15.208 -8.992 14.690 1.00 6.57 H new ATOM 0 HD13 LEU A 148 -13.830 -8.761 13.944 1.00 6.57 H new ATOM 0 HD21 LEU A 148 -14.745 -9.208 11.206 1.00 6.84 H new ATOM 0 HD22 LEU A 148 -13.419 -9.900 11.726 1.00 6.84 H new ATOM 0 HD23 LEU A 148 -14.571 -10.778 11.086 1.00 6.84 H new ATOM 2454 N LYS A 149 -15.707 -14.107 15.280 1.00 6.47 N ANISOU 2454 N LYS A 149 982 586 890 -80 -238 17 N ATOM 2455 CA LYS A 149 -15.541 -15.558 15.246 1.00 7.95 C ANISOU 2455 CA LYS A 149 1179 735 1106 -81 -273 20 C ATOM 2456 C LYS A 149 -16.041 -16.083 13.925 1.00 9.03 C ANISOU 2456 C LYS A 149 1305 861 1264 -65 -289 -9 C ATOM 2457 O LYS A 149 -16.847 -15.463 13.250 1.00 9.42 O ANISOU 2457 O LYS A 149 1341 930 1307 -63 -272 -23 O ATOM 2458 CB LYS A 149 -16.293 -16.244 16.382 1.00 9.48 C ANISOU 2458 CB LYS A 149 1384 910 1307 -122 -279 53 C ATOM 2459 CG LYS A 149 -17.797 -16.078 16.328 1.00 10.08 C ANISOU 2459 CG LYS A 149 1447 997 1386 -147 -260 54 C ATOM 2460 CD LYS A 149 -18.436 -16.747 17.549 1.00 16.51 C ANISOU 2460 CD LYS A 149 2273 1799 2202 -194 -261 90 C ATOM 2461 CE LYS A 149 -19.939 -16.860 17.403 1.00 20.48 C ANISOU 2461 CE LYS A 149 2758 2308 2716 -221 -248 85 C ATOM 2462 NZ LYS A 149 -20.579 -17.491 18.591 1.00 25.21 N ANISOU 2462 NZ LYS A 149 3367 2900 3312 -274 -245 120 N ATOM 0 H LYS A 149 -16.527 -13.849 15.310 1.00 6.47 H new ATOM 0 HA LYS A 149 -14.597 -15.754 15.355 1.00 7.95 H new ATOM 0 HB2 LYS A 149 -16.083 -17.191 16.369 1.00 9.48 H new ATOM 0 HB3 LYS A 149 -15.970 -15.893 17.227 1.00 9.48 H new ATOM 0 HG2 LYS A 149 -18.026 -15.136 16.308 1.00 10.08 H new ATOM 0 HG3 LYS A 149 -18.145 -16.472 15.513 1.00 10.08 H new ATOM 0 HD2 LYS A 149 -18.055 -17.631 17.670 1.00 16.51 H new ATOM 0 HD3 LYS A 149 -18.226 -16.235 18.346 1.00 16.51 H new ATOM 0 HE2 LYS A 149 -20.316 -15.976 17.267 1.00 20.48 H new ATOM 0 HE3 LYS A 149 -20.146 -17.382 16.612 1.00 20.48 H new ATOM 0 HZ1 LYS A 149 -21.459 -17.538 18.465 1.00 25.21 H new ATOM 0 HZ2 LYS A 149 -20.252 -18.311 18.704 1.00 25.21 H new ATOM 0 HZ3 LYS A 149 -20.409 -17.002 19.315 1.00 25.21 H new ATOM 2476 N VAL A 150 -15.552 -17.245 13.546 1.00 9.40 N ANISOU 2476 N VAL A 150 1357 876 1338 -52 -323 -21 N ATOM 2477 CA VAL A 150 -15.931 -17.853 12.279 1.00 8.93 C ANISOU 2477 CA VAL A 150 1286 806 1300 -34 -342 -54 C ATOM 2478 C VAL A 150 -17.101 -18.803 12.467 1.00 9.80 C ANISOU 2478 C VAL A 150 1398 887 1440 -61 -358 -43 C ATOM 2479 O VAL A 150 -17.041 -19.738 13.268 1.00 11.12 O ANISOU 2479 O VAL A 150 1579 1018 1627 -80 -382 -19 O ATOM 2480 CB VAL A 150 -14.744 -18.578 11.645 1.00 10.80 C ANISOU 2480 CB VAL A 150 1522 1029 1554 -2 -372 -84 C ATOM 2481 CG1 VAL A 150 -15.168 -19.366 10.386 1.00 13.23 C ANISOU 2481 CG1 VAL A 150 1818 1323 1886 16 -395 -121 C ATOM 2482 CG2 VAL A 150 -13.682 -17.589 11.281 1.00 11.56 C ANISOU 2482 CG2 VAL A 150 1612 1162 1620 22 -351 -101 C ATOM 0 H VAL A 150 -14.993 -17.706 14.009 1.00 9.40 H new ATOM 0 HA VAL A 150 -16.208 -17.145 11.677 1.00 8.93 H new ATOM 0 HB VAL A 150 -14.399 -19.210 12.295 1.00 10.80 H new ATOM 0 HG11 VAL A 150 -14.395 -19.813 10.008 1.00 13.23 H new ATOM 0 HG12 VAL A 150 -15.837 -20.026 10.627 1.00 13.23 H new ATOM 0 HG13 VAL A 150 -15.539 -18.754 9.731 1.00 13.23 H new ATOM 0 HG21 VAL A 150 -12.931 -18.053 10.879 1.00 11.56 H new ATOM 0 HG22 VAL A 150 -14.041 -16.947 10.648 1.00 11.56 H new ATOM 0 HG23 VAL A 150 -13.385 -17.125 12.079 1.00 11.56 H new ATOM 2492 N GLY A 151 -18.163 -18.558 11.707 1.00 9.27 N ANISOU 2492 N GLY A 151 1316 832 1375 -62 -348 -59 N ATOM 2493 CA GLY A 151 -19.370 -19.365 11.757 1.00 11.14 C ANISOU 2493 CA GLY A 151 1549 1044 1640 -88 -361 -54 C ATOM 2494 C GLY A 151 -20.224 -18.935 10.582 1.00 10.17 C ANISOU 2494 C GLY A 151 1406 942 1517 -74 -354 -86 C ATOM 2495 O GLY A 151 -19.810 -19.076 9.433 1.00 10.64 O ANISOU 2495 O GLY A 151 1460 1005 1579 -42 -368 -119 O ATOM 0 H GLY A 151 -18.201 -17.911 11.142 1.00 9.27 H new ATOM 0 HA2 GLY A 151 -19.156 -20.310 11.701 1.00 11.14 H new ATOM 0 HA3 GLY A 151 -19.841 -19.230 12.594 1.00 11.14 H new ATOM 2499 N SER A 152 -21.416 -18.450 10.853 1.00 9.18 N ANISOU 2499 N SER A 152 1269 831 1388 -98 -333 -78 N ATOM 2500 CA ASER A 152 -22.284 -17.926 9.813 0.46 9.73 C ANISOU 2500 CA ASER A 152 1320 920 1457 -84 -328 -106 C ATOM 2501 CA BSER A 152 -22.278 -17.943 9.801 0.54 9.59 C ANISOU 2501 CA BSER A 152 1303 902 1440 -83 -329 -107 C ATOM 2502 C SER A 152 -21.754 -16.606 9.274 0.94 8.75 C ANISOU 2502 C SER A 152 1196 832 1297 -56 -310 -116 C ATOM 2503 O SER A 152 -21.099 -15.845 9.993 0.94 8.87 O ANISOU 2503 O SER A 152 1220 863 1288 -59 -289 -97 O ATOM 2504 CB ASER A 152 -23.679 -17.704 10.378 0.46 11.15 C ANISOU 2504 CB ASER A 152 1484 1107 1644 -117 -312 -97 C ATOM 2505 CB BSER A 152 -23.705 -17.776 10.322 0.54 12.88 C ANISOU 2505 CB BSER A 152 1703 1325 1866 -117 -314 -99 C ATOM 2506 OG ASER A 152 -24.208 -18.921 10.855 0.46 14.89 O ANISOU 2506 OG ASER A 152 1958 1548 2150 -149 -328 -86 O ATOM 2507 OG BSER A 152 -23.776 -16.760 11.300 0.54 16.39 O ANISOU 2507 OG BSER A 152 2147 1796 2285 -133 -281 -78 O ATOM 0 H ASER A 152 -21.750 -18.413 11.645 0.46 9.18 H new ATOM 0 H BSER A 152 -21.750 -18.403 11.644 0.54 9.18 H new ATOM 0 HA ASER A 152 -22.313 -18.571 9.089 0.46 9.59 H new ATOM 0 HA BSER A 152 -22.281 -18.583 9.073 0.54 9.59 H new ATOM 0 HB2ASER A 152 -23.645 -17.054 11.097 0.46 12.88 H new ATOM 0 HB2BSER A 152 -24.298 -17.561 9.585 0.54 12.88 H new ATOM 0 HB3ASER A 152 -24.259 -17.338 9.692 0.46 12.88 H new ATOM 0 HB3BSER A 152 -24.014 -18.614 10.700 0.54 12.88 H new ATOM 0 HG ASER A 152 -24.977 -18.790 11.166 0.46 16.39 H new ATOM 0 HG BSER A 152 -23.895 -17.106 12.056 0.54 16.39 H new ATOM 2518 N ALA A 153 -22.059 -16.305 8.011 1.00 8.84 N ANISOU 2518 N ALA A 153 1198 856 1303 -32 -318 -146 N ATOM 2519 CA ALA A 153 -21.672 -15.048 7.396 1.00 7.99 C ANISOU 2519 CA ALA A 153 1093 781 1161 -10 -304 -152 C ATOM 2520 C ALA A 153 -22.310 -13.852 8.090 1.00 8.19 C ANISOU 2520 C ALA A 153 1112 825 1173 -24 -278 -136 C ATOM 2521 O ALA A 153 -23.444 -13.901 8.595 1.00 9.65 O ANISOU 2521 O ALA A 153 1284 1007 1376 -45 -274 -133 O ATOM 2522 CB ALA A 153 -22.044 -15.041 5.934 1.00 9.49 C ANISOU 2522 CB ALA A 153 1277 981 1349 13 -321 -184 C ATOM 0 H ALA A 153 -22.498 -16.830 7.490 1.00 8.84 H new ATOM 0 HA ALA A 153 -20.710 -14.970 7.489 1.00 7.99 H new ATOM 0 HB1 ALA A 153 -21.780 -14.196 5.537 1.00 9.49 H new ATOM 0 HB2 ALA A 153 -21.589 -15.768 5.481 1.00 9.49 H new ATOM 0 HB3 ALA A 153 -23.003 -15.155 5.843 1.00 9.49 H new ATOM 2528 N LYS A 154 -21.584 -12.740 8.066 1.00 8.17 N ANISOU 2528 N LYS A 154 1119 844 1141 -12 -263 -128 N ATOM 2529 CA LYS A 154 -22.089 -11.455 8.514 1.00 8.74 C ANISOU 2529 CA LYS A 154 1186 934 1200 -18 -244 -119 C ATOM 2530 C LYS A 154 -22.578 -10.688 7.285 1.00 7.39 C ANISOU 2530 C LYS A 154 1014 776 1019 3 -256 -137 C ATOM 2531 O LYS A 154 -21.764 -10.245 6.457 1.00 7.64 O ANISOU 2531 O LYS A 154 1059 819 1025 21 -259 -140 O ATOM 2532 CB LYS A 154 -20.994 -10.673 9.224 1.00 8.60 C ANISOU 2532 CB LYS A 154 1181 928 1159 -18 -224 -99 C ATOM 2533 CG LYS A 154 -21.480 -9.429 9.936 1.00 7.86 C ANISOU 2533 CG LYS A 154 1081 849 1058 -26 -205 -91 C ATOM 2534 CD LYS A 154 -22.379 -9.738 11.133 1.00 8.42 C ANISOU 2534 CD LYS A 154 1136 918 1146 -54 -193 -84 C ATOM 2535 CE LYS A 154 -22.539 -8.530 12.032 1.00 9.61 C ANISOU 2535 CE LYS A 154 1280 1087 1286 -62 -172 -79 C ATOM 2536 NZ LYS A 154 -23.495 -8.836 13.135 1.00 9.91 N ANISOU 2536 NZ LYS A 154 1298 1129 1337 -92 -157 -78 N ATOM 0 H LYS A 154 -20.772 -12.714 7.784 1.00 8.17 H new ATOM 0 HA LYS A 154 -22.817 -11.582 9.143 1.00 8.74 H new ATOM 0 HB2 LYS A 154 -20.562 -11.254 9.869 1.00 8.60 H new ATOM 0 HB3 LYS A 154 -20.319 -10.419 8.575 1.00 8.60 H new ATOM 0 HG2 LYS A 154 -20.714 -8.915 10.237 1.00 7.86 H new ATOM 0 HG3 LYS A 154 -21.966 -8.872 9.308 1.00 7.86 H new ATOM 0 HD2 LYS A 154 -23.250 -10.027 10.819 1.00 8.42 H new ATOM 0 HD3 LYS A 154 -22.002 -10.473 11.641 1.00 8.42 H new ATOM 0 HE2 LYS A 154 -21.679 -8.276 12.401 1.00 9.61 H new ATOM 0 HE3 LYS A 154 -22.860 -7.774 11.516 1.00 9.61 H new ATOM 0 HZ1 LYS A 154 -23.475 -8.180 13.736 1.00 9.91 H new ATOM 0 HZ2 LYS A 154 -24.318 -8.908 12.803 1.00 9.91 H new ATOM 0 HZ3 LYS A 154 -23.264 -9.602 13.524 1.00 9.91 H new ATOM 2550 N PRO A 155 -23.887 -10.562 7.100 1.00 8.19 N ANISOU 2550 N PRO A 155 704 1053 1356 -80 -216 -13 N ATOM 2551 CA PRO A 155 -24.350 -9.955 5.843 1.00 8.43 C ANISOU 2551 CA PRO A 155 734 1064 1405 -75 -261 20 C ATOM 2552 C PRO A 155 -23.803 -8.559 5.613 1.00 8.46 C ANISOU 2552 C PRO A 155 734 1058 1422 -44 -211 12 C ATOM 2553 O PRO A 155 -23.424 -8.225 4.471 1.00 9.21 O ANISOU 2553 O PRO A 155 859 1155 1486 -46 -253 28 O ATOM 2554 CB PRO A 155 -25.871 -9.947 6.001 1.00 10.08 C ANISOU 2554 CB PRO A 155 862 1268 1700 -87 -284 91 C ATOM 2555 CG PRO A 155 -26.135 -11.031 6.958 1.00 14.99 C ANISOU 2555 CG PRO A 155 1478 1902 2317 -107 -281 76 C ATOM 2556 CD PRO A 155 -25.008 -11.020 7.932 1.00 9.42 C ANISOU 2556 CD PRO A 155 800 1218 1562 -99 -214 17 C ATOM 0 HA PRO A 155 -24.043 -10.449 5.067 1.00 8.43 H new ATOM 0 HB2 PRO A 155 -26.189 -9.093 6.335 1.00 10.08 H new ATOM 0 HB3 PRO A 155 -26.317 -10.104 5.154 1.00 10.08 H new ATOM 0 HG2 PRO A 155 -26.983 -10.894 7.409 1.00 14.99 H new ATOM 0 HG3 PRO A 155 -26.190 -11.886 6.504 1.00 14.99 H new ATOM 0 HD2 PRO A 155 -25.177 -10.420 8.675 1.00 9.42 H new ATOM 0 HD3 PRO A 155 -24.845 -11.899 8.308 1.00 9.42 H new ATOM 2564 N GLY A 156 -23.727 -7.764 6.672 1.00 8.04 N ANISOU 2564 N GLY A 156 652 996 1407 -33 -116 -21 N ATOM 2565 CA GLY A 156 -23.300 -6.385 6.562 1.00 9.45 C ANISOU 2565 CA GLY A 156 827 1144 1622 -12 -47 -37 C ATOM 2566 C GLY A 156 -21.810 -6.236 6.319 1.00 8.11 C ANISOU 2566 C GLY A 156 727 1002 1353 -15 -49 -83 C ATOM 2567 O GLY A 156 -21.334 -5.098 6.115 1.00 10.21 O ANISOU 2567 O GLY A 156 997 1242 1639 -3 -1 -96 O ATOM 0 H GLY A 156 -23.922 -8.012 7.472 1.00 8.04 H new ATOM 0 HA2 GLY A 156 -23.784 -5.960 5.837 1.00 9.45 H new ATOM 0 HA3 GLY A 156 -23.537 -5.914 7.376 1.00 9.45 H new ATOM 2571 N LEU A 157 -21.052 -7.335 6.364 1.00 7.81 N ANISOU 2571 N LEU A 157 733 1004 1229 -29 -92 -97 N ATOM 2572 CA LEU A 157 -19.624 -7.313 6.019 1.00 7.32 C ANISOU 2572 CA LEU A 157 722 966 1094 -24 -94 -114 C ATOM 2573 C LEU A 157 -19.358 -7.554 4.533 1.00 6.68 C ANISOU 2573 C LEU A 157 681 869 986 -6 -151 -100 C ATOM 2574 O LEU A 157 -18.272 -7.269 4.039 1.00 6.94 O ANISOU 2574 O LEU A 157 750 913 972 6 -141 -111 O ATOM 2575 CB LEU A 157 -18.894 -8.353 6.870 1.00 7.19 C ANISOU 2575 CB LEU A 157 706 991 1033 -47 -90 -108 C ATOM 2576 CG LEU A 157 -17.377 -8.457 6.722 1.00 7.52 C ANISOU 2576 CG LEU A 157 771 1061 1024 -41 -82 -93 C ATOM 2577 CD1 LEU A 157 -16.649 -7.184 7.099 1.00 8.19 C ANISOU 2577 CD1 LEU A 157 862 1183 1068 -70 -39 -112 C ATOM 2578 CD2 LEU A 157 -16.867 -9.624 7.560 1.00 8.46 C ANISOU 2578 CD2 LEU A 157 853 1214 1145 -62 -85 -36 C ATOM 0 H LEU A 157 -21.347 -8.109 6.593 1.00 7.81 H new ATOM 0 HA LEU A 157 -19.289 -6.422 6.208 1.00 7.32 H new ATOM 0 HB2 LEU A 157 -19.090 -8.167 7.801 1.00 7.19 H new ATOM 0 HB3 LEU A 157 -19.273 -9.223 6.668 1.00 7.19 H new ATOM 0 HG LEU A 157 -17.191 -8.607 5.782 1.00 7.52 H new ATOM 0 HD11 LEU A 157 -15.694 -7.311 6.985 1.00 8.19 H new ATOM 0 HD12 LEU A 157 -16.949 -6.459 6.529 1.00 8.19 H new ATOM 0 HD13 LEU A 157 -16.837 -6.965 8.025 1.00 8.19 H new ATOM 0 HD21 LEU A 157 -15.904 -9.692 7.468 1.00 8.46 H new ATOM 0 HD22 LEU A 157 -17.093 -9.476 8.492 1.00 8.46 H new ATOM 0 HD23 LEU A 157 -17.280 -10.447 7.254 1.00 8.46 H new ATOM 2590 N GLN A 158 -20.323 -8.110 3.802 1.00 7.18 N ANISOU 2590 N GLN A 158 743 920 1065 -22 -209 -76 N ATOM 2591 CA GLN A 158 -20.034 -8.616 2.465 1.00 6.46 C ANISOU 2591 CA GLN A 158 710 833 911 -49 -253 -83 C ATOM 2592 C GLN A 158 -19.618 -7.493 1.504 1.00 6.59 C ANISOU 2592 C GLN A 158 734 871 900 -49 -266 -60 C ATOM 2593 O GLN A 158 -18.753 -7.706 0.686 1.00 7.60 O ANISOU 2593 O GLN A 158 921 1011 956 -63 -262 -90 O ATOM 2594 CB GLN A 158 -21.176 -9.456 1.925 1.00 8.06 C ANISOU 2594 CB GLN A 158 915 1037 1111 -107 -316 -64 C ATOM 2595 CG GLN A 158 -20.770 -10.217 0.688 1.00 9.08 C ANISOU 2595 CG GLN A 158 1131 1170 1150 -171 -332 -110 C ATOM 2596 CD GLN A 158 -19.631 -11.185 0.931 1.00 9.70 C ANISOU 2596 CD GLN A 158 1265 1197 1223 -143 -252 -184 C ATOM 2597 OE1 GLN A 158 -19.501 -11.756 2.015 1.00 9.57 O ANISOU 2597 OE1 GLN A 158 1217 1150 1271 -101 -218 -179 O ATOM 2598 NE2 GLN A 158 -18.805 -11.398 -0.082 1.00 11.14 N ANISOU 2598 NE2 GLN A 158 1523 1370 1341 -172 -213 -240 N ATOM 0 H GLN A 158 -21.139 -8.202 4.058 1.00 7.18 H new ATOM 0 HA GLN A 158 -19.268 -9.207 2.538 1.00 6.46 H new ATOM 0 HB2 GLN A 158 -21.470 -10.080 2.607 1.00 8.06 H new ATOM 0 HB3 GLN A 158 -21.931 -8.883 1.720 1.00 8.06 H new ATOM 0 HG2 GLN A 158 -21.536 -10.706 0.350 1.00 9.08 H new ATOM 0 HG3 GLN A 158 -20.510 -9.587 -0.002 1.00 9.08 H new ATOM 0 HE21 GLN A 158 -18.922 -10.984 -0.827 1.00 11.14 H new ATOM 0 HE22 GLN A 158 -18.152 -11.950 0.005 1.00 11.14 H new ATOM 2607 N LYS A 159 -20.175 -6.295 1.652 1.00 7.62 N ANISOU 2607 N LYS A 159 799 995 1104 -31 -265 -3 N ATOM 2608 CA LYS A 159 -19.773 -5.194 0.788 1.00 7.31 C ANISOU 2608 CA LYS A 159 749 968 1059 -29 -277 41 C ATOM 2609 C LYS A 159 -18.275 -4.887 0.955 1.00 6.49 C ANISOU 2609 C LYS A 159 698 868 900 -1 -222 -19 C ATOM 2610 O LYS A 159 -17.559 -4.528 0.013 1.00 8.30 O ANISOU 2610 O LYS A 159 958 1125 1072 -12 -239 -8 O ATOM 2611 CB LYS A 159 -20.593 -3.937 1.075 1.00 9.14 C ANISOU 2611 CB LYS A 159 884 1157 1430 -1 -252 121 C ATOM 2612 CG LYS A 159 -21.948 -3.989 0.432 1.00 14.21 C ANISOU 2612 CG LYS A 159 1447 1815 2135 -37 -328 242 C ATOM 2613 CD LYS A 159 -22.822 -2.784 0.776 1.00 21.29 C ANISOU 2613 CD LYS A 159 2219 2642 3227 8 -275 346 C ATOM 2614 CE LYS A 159 -24.250 -2.987 0.234 1.00 24.53 C ANISOU 2614 CE LYS A 159 2524 3080 3717 -32 -360 504 C ATOM 2615 NZ LYS A 159 -25.078 -1.740 0.170 1.00 30.23 N ANISOU 2615 NZ LYS A 159 3144 3723 4618 0 -293 637 N ATOM 0 H LYS A 159 -20.776 -6.102 2.236 1.00 7.62 H new ATOM 0 HA LYS A 159 -19.939 -5.468 -0.128 1.00 7.31 H new ATOM 0 HB2 LYS A 159 -20.695 -3.831 2.034 1.00 9.14 H new ATOM 0 HB3 LYS A 159 -20.113 -3.158 0.753 1.00 9.14 H new ATOM 0 HG2 LYS A 159 -21.841 -4.040 -0.531 1.00 14.21 H new ATOM 0 HG3 LYS A 159 -22.401 -4.800 0.710 1.00 14.21 H new ATOM 0 HD2 LYS A 159 -22.849 -2.660 1.738 1.00 21.29 H new ATOM 0 HD3 LYS A 159 -22.437 -1.978 0.397 1.00 21.29 H new ATOM 0 HE2 LYS A 159 -24.194 -3.369 -0.656 1.00 24.53 H new ATOM 0 HE3 LYS A 159 -24.706 -3.635 0.793 1.00 24.53 H new ATOM 0 HZ1 LYS A 159 -25.885 -1.935 -0.151 1.00 30.23 H new ATOM 0 HZ2 LYS A 159 -25.159 -1.395 0.986 1.00 30.23 H new ATOM 0 HZ3 LYS A 159 -24.682 -1.148 -0.364 1.00 30.23 H new ATOM 2629 N VAL A 160 -17.778 -5.030 2.175 1.00 6.72 N ANISOU 2629 N VAL A 160 731 883 938 21 -161 -69 N ATOM 2630 CA VAL A 160 -16.354 -4.816 2.455 1.00 7.29 C ANISOU 2630 CA VAL A 160 836 976 958 32 -119 -99 C ATOM 2631 C VAL A 160 -15.543 -5.928 1.797 1.00 7.45 C ANISOU 2631 C VAL A 160 907 1011 912 34 -129 -115 C ATOM 2632 O VAL A 160 -14.602 -5.682 1.041 1.00 8.51 O ANISOU 2632 O VAL A 160 1072 1162 1001 40 -120 -115 O ATOM 2633 CB VAL A 160 -16.106 -4.809 3.979 1.00 7.36 C ANISOU 2633 CB VAL A 160 826 996 975 15 -64 -126 C ATOM 2634 CG1 VAL A 160 -14.619 -4.775 4.275 1.00 9.08 C ANISOU 2634 CG1 VAL A 160 1062 1258 1129 5 -41 -123 C ATOM 2635 CG2 VAL A 160 -16.806 -3.623 4.648 1.00 9.06 C ANISOU 2635 CG2 VAL A 160 1007 1176 1260 -1 -6 -143 C ATOM 0 H VAL A 160 -18.246 -5.251 2.862 1.00 6.72 H new ATOM 0 HA VAL A 160 -16.079 -3.958 2.095 1.00 7.29 H new ATOM 0 HB VAL A 160 -16.480 -5.626 4.345 1.00 7.36 H new ATOM 0 HG11 VAL A 160 -14.480 -4.771 5.235 1.00 9.08 H new ATOM 0 HG12 VAL A 160 -14.194 -5.558 3.890 1.00 9.08 H new ATOM 0 HG13 VAL A 160 -14.230 -3.974 3.889 1.00 9.08 H new ATOM 0 HG21 VAL A 160 -16.635 -3.642 5.603 1.00 9.06 H new ATOM 0 HG22 VAL A 160 -16.466 -2.794 4.276 1.00 9.06 H new ATOM 0 HG23 VAL A 160 -17.761 -3.680 4.490 1.00 9.06 H new ATOM 2645 N VAL A 161 -15.926 -7.170 2.039 1.00 6.77 N ANISOU 2645 N VAL A 161 828 908 836 27 -132 -130 N ATOM 2646 CA VAL A 161 -15.206 -8.305 1.471 1.00 8.81 C ANISOU 2646 CA VAL A 161 1132 1146 1071 30 -102 -156 C ATOM 2647 C VAL A 161 -15.132 -8.214 -0.042 1.00 7.62 C ANISOU 2647 C VAL A 161 1042 1002 853 -5 -114 -185 C ATOM 2648 O VAL A 161 -14.086 -8.497 -0.638 1.00 9.13 O ANISOU 2648 O VAL A 161 1272 1182 1013 3 -58 -212 O ATOM 2649 CB VAL A 161 -15.930 -9.659 1.904 1.00 10.47 C ANISOU 2649 CB VAL A 161 1339 1315 1326 17 -101 -168 C ATOM 2650 CG1 VAL A 161 -15.412 -10.866 1.131 1.00 11.88 C ANISOU 2650 CG1 VAL A 161 1573 1433 1507 9 -42 -214 C ATOM 2651 CG2 VAL A 161 -15.764 -9.867 3.403 1.00 13.31 C ANISOU 2651 CG2 VAL A 161 1633 1688 1735 36 -86 -123 C ATOM 0 H VAL A 161 -16.600 -7.382 2.529 1.00 6.77 H new ATOM 0 HA VAL A 161 -14.298 -8.294 1.811 1.00 8.81 H new ATOM 0 HB VAL A 161 -16.872 -9.576 1.689 1.00 10.47 H new ATOM 0 HG11 VAL A 161 -15.878 -11.664 1.426 1.00 11.88 H new ATOM 0 HG12 VAL A 161 -15.566 -10.734 0.183 1.00 11.88 H new ATOM 0 HG13 VAL A 161 -14.461 -10.970 1.292 1.00 11.88 H new ATOM 0 HG21 VAL A 161 -16.204 -10.690 3.666 1.00 13.31 H new ATOM 0 HG22 VAL A 161 -14.820 -9.922 3.620 1.00 13.31 H new ATOM 0 HG23 VAL A 161 -16.162 -9.122 3.879 1.00 13.31 H new ATOM 2661 N ASP A 162 -16.213 -7.815 -0.676 1.00 8.97 N ANISOU 2661 N ASP A 162 1210 1198 1000 -55 -182 -167 N ATOM 2662 CA AASP A 162 -16.230 -7.869 -2.120 0.52 10.19 C ANISOU 2662 CA AASP A 162 1422 1389 1061 -131 -206 -184 C ATOM 2663 CA BASP A 162 -16.334 -7.830 -2.124 0.48 10.09 C ANISOU 2663 CA BASP A 162 1406 1379 1050 -134 -213 -179 C ATOM 2664 C ASP A 162 -15.404 -6.837 -2.826 1.00 11.02 C ANISOU 2664 C ASP A 162 1532 1538 1117 -128 -205 -159 C ATOM 2665 O ASP A 162 -15.058 -7.036 -3.983 1.00 13.16 O ANISOU 2665 O ASP A 162 1864 1847 1291 -197 -196 -191 O ATOM 2666 CB AASP A 162 -17.646 -7.833 -2.626 0.52 13.75 C ANISOU 2666 CB AASP A 162 1852 1881 1493 -214 -297 -135 C ATOM 2667 CB BASP A 162 -17.801 -7.559 -2.491 0.48 9.39 C ANISOU 2667 CB BASP A 162 1276 1332 960 -204 -310 -112 C ATOM 2668 CG AASP A 162 -18.265 -9.184 -2.597 0.52 11.61 C ANISOU 2668 CG AASP A 162 1623 1579 1209 -271 -292 -192 C ATOM 2669 CG BASP A 162 -18.144 -7.983 -3.905 0.48 9.82 C ANISOU 2669 CG BASP A 162 1392 1450 889 -341 -356 -123 C ATOM 2670 OD1AASP A 162 -17.518 -10.184 -2.642 0.52 13.22 O ANISOU 2670 OD1AASP A 162 1895 1726 1401 -267 -204 -283 O ATOM 2671 OD1BASP A 162 -18.213 -9.206 -4.186 0.48 9.70 O ANISOU 2671 OD1BASP A 162 1454 1410 821 -408 -319 -214 O ATOM 2672 OD2AASP A 162 -19.483 -9.244 -2.512 0.52 13.66 O ANISOU 2672 OD2AASP A 162 1841 1861 1489 -316 -365 -136 O ATOM 2673 OD2BASP A 162 -18.324 -7.067 -4.736 0.48 10.39 O ANISOU 2673 OD2BASP A 162 1432 1601 915 -395 -423 -39 O ATOM 0 H AASP A 162 -16.929 -7.517 -0.304 0.52 8.97 H new ATOM 0 H BASP A 162 -16.914 -7.521 -0.273 0.48 8.97 H new ATOM 0 HA AASP A 162 -15.804 -8.713 -2.336 0.52 10.09 H new ATOM 0 HA BASP A 162 -16.057 -8.705 -2.437 0.48 10.09 H new ATOM 0 HB2AASP A 162 -18.170 -7.223 -2.083 0.52 9.39 H new ATOM 0 HB2BASP A 162 -18.377 -8.029 -1.869 0.48 9.39 H new ATOM 0 HB3AASP A 162 -17.659 -7.489 -3.533 0.52 9.39 H new ATOM 0 HB3BASP A 162 -17.986 -6.612 -2.389 0.48 9.39 H new ATOM 2682 N VAL A 163 -15.020 -5.762 -2.128 1.00 8.84 N ANISOU 2682 N VAL A 163 1199 1259 900 -61 -201 -112 N ATOM 2683 CA VAL A 163 -14.223 -4.709 -2.736 1.00 9.13 C ANISOU 2683 CA VAL A 163 1233 1331 904 -56 -202 -78 C ATOM 2684 C VAL A 163 -12.720 -4.942 -2.539 1.00 8.85 C ANISOU 2684 C VAL A 163 1228 1286 848 -11 -123 -117 C ATOM 2685 O VAL A 163 -11.885 -4.236 -3.110 1.00 10.05 O ANISOU 2685 O VAL A 163 1387 1470 961 -9 -115 -97 O ATOM 2686 CB VAL A 163 -14.633 -3.333 -2.154 1.00 10.73 C ANISOU 2686 CB VAL A 163 1359 1519 1198 -23 -224 -7 C ATOM 2687 CG1 VAL A 163 -14.020 -3.088 -0.805 1.00 11.40 C ANISOU 2687 CG1 VAL A 163 1429 1568 1334 29 -161 -39 C ATOM 2688 CG2 VAL A 163 -14.298 -2.193 -3.114 1.00 15.62 C ANISOU 2688 CG2 VAL A 163 1959 2178 1800 -42 -256 63 C ATOM 0 H VAL A 163 -15.214 -5.630 -1.301 1.00 8.84 H new ATOM 0 HA VAL A 163 -14.396 -4.721 -3.690 1.00 9.13 H new ATOM 0 HB VAL A 163 -15.596 -3.356 -2.040 1.00 10.73 H new ATOM 0 HG11 VAL A 163 -14.299 -2.220 -0.475 1.00 11.40 H new ATOM 0 HG12 VAL A 163 -14.311 -3.777 -0.187 1.00 11.40 H new ATOM 0 HG13 VAL A 163 -13.053 -3.109 -0.880 1.00 11.40 H new ATOM 0 HG21 VAL A 163 -14.567 -1.348 -2.720 1.00 15.62 H new ATOM 0 HG22 VAL A 163 -13.343 -2.181 -3.282 1.00 15.62 H new ATOM 0 HG23 VAL A 163 -14.771 -2.324 -3.950 1.00 15.62 H new ATOM 2698 N LEU A 164 -12.351 -5.930 -1.734 1.00 8.42 N ANISOU 2698 N LEU A 164 1177 1189 832 24 -68 -151 N ATOM 2699 CA LEU A 164 -10.953 -6.095 -1.372 1.00 7.86 C ANISOU 2699 CA LEU A 164 1097 1112 776 71 2 -139 C ATOM 2700 C LEU A 164 -10.072 -6.400 -2.578 1.00 10.68 C ANISOU 2700 C LEU A 164 1507 1471 1080 61 64 -172 C ATOM 2701 O LEU A 164 -8.904 -6.017 -2.580 1.00 10.37 O ANISOU 2701 O LEU A 164 1449 1449 1043 94 104 -137 O ATOM 2702 CB LEU A 164 -10.780 -7.136 -0.285 1.00 8.97 C ANISOU 2702 CB LEU A 164 1203 1214 990 102 43 -127 C ATOM 2703 CG LEU A 164 -11.443 -6.776 1.039 1.00 8.63 C ANISOU 2703 CG LEU A 164 1109 1190 981 94 -2 -96 C ATOM 2704 CD1 LEU A 164 -11.148 -7.899 2.020 1.00 10.06 C ANISOU 2704 CD1 LEU A 164 1245 1353 1225 109 32 -56 C ATOM 2705 CD2 LEU A 164 -11.013 -5.447 1.585 1.00 9.09 C ANISOU 2705 CD2 LEU A 164 1139 1295 1019 82 -17 -65 C ATOM 0 H LEU A 164 -12.887 -6.508 -1.391 1.00 8.42 H new ATOM 0 HA LEU A 164 -10.656 -5.243 -1.017 1.00 7.86 H new ATOM 0 HB2 LEU A 164 -11.144 -7.979 -0.598 1.00 8.97 H new ATOM 0 HB3 LEU A 164 -9.832 -7.275 -0.133 1.00 8.97 H new ATOM 0 HG LEU A 164 -12.397 -6.683 0.892 1.00 8.63 H new ATOM 0 HD11 LEU A 164 -11.559 -7.698 2.875 1.00 10.06 H new ATOM 0 HD12 LEU A 164 -11.508 -8.732 1.677 1.00 10.06 H new ATOM 0 HD13 LEU A 164 -10.189 -7.985 2.135 1.00 10.06 H new ATOM 0 HD21 LEU A 164 -11.469 -5.279 2.424 1.00 9.09 H new ATOM 0 HD22 LEU A 164 -10.055 -5.453 1.734 1.00 9.09 H new ATOM 0 HD23 LEU A 164 -11.237 -4.748 0.950 1.00 9.09 H new ATOM 2717 N ASP A 165 -10.630 -7.082 -3.581 1.00 11.91 N ANISOU 2717 N ASP A 165 1729 1616 1180 -2 78 -241 N ATOM 2718 CA AASP A 165 -9.928 -7.393 -4.828 0.68 13.33 C ANISOU 2718 CA AASP A 165 1978 1802 1284 -45 158 -301 C ATOM 2719 CA BASP A 165 -9.886 -7.393 -4.796 0.32 14.69 C ANISOU 2719 CA BASP A 165 2149 1973 1460 -41 160 -299 C ATOM 2720 C ASP A 165 -9.350 -6.138 -5.463 1.00 14.13 C ANISOU 2720 C ASP A 165 2069 1984 1315 -56 119 -251 C ATOM 2721 O ASP A 165 -8.355 -6.209 -6.199 1.00 15.47 O ANISOU 2721 O ASP A 165 2273 2163 1444 -62 202 -278 O ATOM 2722 CB AASP A 165 -10.879 -7.998 -5.897 0.68 18.30 C ANISOU 2722 CB AASP A 165 2692 2450 1812 -172 148 -384 C ATOM 2723 CB BASP A 165 -10.770 -8.158 -5.793 0.32 18.45 C ANISOU 2723 CB BASP A 165 2712 2453 1848 -160 167 -391 C ATOM 2724 CG AASP A 165 -11.687 -9.205 -5.408 0.68 20.87 C ANISOU 2724 CG AASP A 165 3037 2698 2194 -188 171 -438 C ATOM 2725 CG BASP A 165 -10.627 -7.644 -7.221 0.32 22.09 C ANISOU 2725 CG BASP A 165 3232 3005 2155 -271 157 -416 C ATOM 2726 OD1AASP A 165 -11.325 -10.352 -5.748 0.68 22.75 O ANISOU 2726 OD1AASP A 165 3339 2853 2453 -211 304 -535 O ATOM 2727 OD1BASP A 165 -9.604 -7.957 -7.868 0.32 24.56 O ANISOU 2727 OD1BASP A 165 3576 3293 2461 -266 269 -461 O ATOM 2728 OD2AASP A 165 -12.730 -9.009 -4.746 0.68 20.26 O ANISOU 2728 OD2AASP A 165 2913 2636 2148 -185 69 -387 O ATOM 2729 OD2BASP A 165 -11.535 -6.929 -7.699 0.32 22.60 O ANISOU 2729 OD2BASP A 165 3273 3157 2158 -346 29 -349 O ATOM 0 H AASP A 165 -11.436 -7.380 -3.555 0.68 11.91 H new ATOM 0 H BASP A 165 -11.439 -7.372 -3.574 0.32 11.91 H new ATOM 0 HA AASP A 165 -9.235 -8.025 -4.580 0.68 14.69 H new ATOM 0 HA BASP A 165 -9.135 -7.948 -4.535 0.32 14.69 H new ATOM 0 HB2AASP A 165 -11.494 -7.309 -6.195 0.68 18.45 H new ATOM 0 HB2BASP A 165 -10.539 -9.100 -5.768 0.32 18.45 H new ATOM 0 HB3AASP A 165 -10.355 -8.264 -6.669 0.68 18.45 H new ATOM 0 HB3BASP A 165 -11.698 -8.086 -5.519 0.32 18.45 H new ATOM 2738 N SER A 166 -10.016 -5.002 -5.237 1.00 10.42 N ANISOU 2738 N SER A 166 1551 1564 845 -63 5 -177 N ATOM 2739 CA SER A 166 -9.621 -3.763 -5.858 1.00 10.85 C ANISOU 2739 CA SER A 166 1586 1686 852 -80 -41 -114 C ATOM 2740 C SER A 166 -8.607 -2.943 -5.058 1.00 9.94 C ANISOU 2740 C SER A 166 1418 1560 799 -2 -23 -61 C ATOM 2741 O SER A 166 -8.149 -1.918 -5.549 1.00 10.86 O ANISOU 2741 O SER A 166 1517 1721 887 -12 -51 -8 O ATOM 2742 CB SER A 166 -10.855 -2.907 -6.176 1.00 12.17 C ANISOU 2742 CB SER A 166 1711 1897 1016 -135 -157 -38 C ATOM 2743 OG SER A 166 -11.395 -2.339 -5.003 1.00 13.27 O ANISOU 2743 OG SER A 166 1783 1984 1274 -73 -185 4 O ATOM 0 H SER A 166 -10.702 -4.940 -4.722 1.00 10.42 H new ATOM 0 HA SER A 166 -9.166 -4.019 -6.676 1.00 10.85 H new ATOM 0 HB2 SER A 166 -10.612 -2.203 -6.798 1.00 12.17 H new ATOM 0 HB3 SER A 166 -11.527 -3.453 -6.614 1.00 12.17 H new ATOM 0 HG SER A 166 -11.537 -2.944 -4.438 1.00 13.27 H new ATOM 2749 N ILE A 167 -8.265 -3.373 -3.846 1.00 8.58 N ANISOU 2749 N ILE A 167 1217 1341 704 57 15 -62 N ATOM 2750 CA ILE A 167 -7.287 -2.676 -3.015 1.00 9.31 C ANISOU 2750 CA ILE A 167 1261 1445 830 93 26 -6 C ATOM 2751 C ILE A 167 -6.266 -3.678 -2.481 1.00 8.46 C ANISOU 2751 C ILE A 167 1132 1318 765 135 106 10 C ATOM 2752 O ILE A 167 -5.888 -3.645 -1.318 1.00 8.90 O ANISOU 2752 O ILE A 167 1133 1383 863 144 102 64 O ATOM 2753 CB ILE A 167 -7.938 -1.860 -1.865 1.00 8.38 C ANISOU 2753 CB ILE A 167 1104 1315 764 84 -21 12 C ATOM 2754 CG1 ILE A 167 -8.766 -2.728 -0.942 1.00 8.85 C ANISOU 2754 CG1 ILE A 167 1155 1341 868 87 -19 -17 C ATOM 2755 CG2 ILE A 167 -8.776 -0.749 -2.429 1.00 9.34 C ANISOU 2755 CG2 ILE A 167 1219 1434 896 59 -75 31 C ATOM 2756 CD1 ILE A 167 -8.899 -2.130 0.439 1.00 9.28 C ANISOU 2756 CD1 ILE A 167 1173 1398 955 64 -21 -8 C ATOM 0 H ILE A 167 -8.595 -4.079 -3.482 1.00 8.58 H new ATOM 0 HA ILE A 167 -6.836 -2.024 -3.574 1.00 9.31 H new ATOM 0 HB ILE A 167 -7.219 -1.484 -1.334 1.00 8.38 H new ATOM 0 HG12 ILE A 167 -9.649 -2.854 -1.324 1.00 8.85 H new ATOM 0 HG13 ILE A 167 -8.359 -3.606 -0.875 1.00 8.85 H new ATOM 0 HG21 ILE A 167 -9.178 -0.246 -1.703 1.00 9.34 H new ATOM 0 HG22 ILE A 167 -8.218 -0.160 -2.960 1.00 9.34 H new ATOM 0 HG23 ILE A 167 -9.475 -1.123 -2.989 1.00 9.34 H new ATOM 0 HD11 ILE A 167 -9.435 -2.716 0.996 1.00 9.28 H new ATOM 0 HD12 ILE A 167 -8.019 -2.026 0.833 1.00 9.28 H new ATOM 0 HD13 ILE A 167 -9.329 -1.263 0.376 1.00 9.28 H new ATOM 2768 N LYS A 168 -5.796 -4.555 -3.363 1.00 9.54 N ANISOU 2768 N LYS A 168 1106 1637 881 73 -82 -190 N ATOM 2769 CA LYS A 168 -4.992 -5.668 -2.906 1.00 10.05 C ANISOU 2769 CA LYS A 168 1150 1704 965 109 -83 -216 C ATOM 2770 C LYS A 168 -3.687 -5.266 -2.229 1.00 9.55 C ANISOU 2770 C LYS A 168 1045 1685 900 98 -63 -195 C ATOM 2771 O LYS A 168 -3.254 -5.920 -1.292 1.00 9.23 O ANISOU 2771 O LYS A 168 986 1636 887 117 -71 -195 O ATOM 2772 CB LYS A 168 -4.685 -6.619 -4.073 1.00 10.74 C ANISOU 2772 CB LYS A 168 1238 1817 1027 154 -77 -261 C ATOM 2773 CG LYS A 168 -3.940 -7.869 -3.642 1.00 12.79 C ANISOU 2773 CG LYS A 168 1482 2065 1312 203 -76 -288 C ATOM 2774 CD LYS A 168 -3.705 -8.786 -4.851 1.00 17.24 C ANISOU 2774 CD LYS A 168 2053 2646 1850 249 -65 -342 C ATOM 2775 CE LYS A 168 -2.947 -10.049 -4.485 1.00 22.73 C ANISOU 2775 CE LYS A 168 2738 3324 2577 308 -57 -368 C ATOM 2776 NZ LYS A 168 -2.881 -10.988 -5.639 1.00 26.90 N ANISOU 2776 NZ LYS A 168 3283 3853 3085 352 -45 -431 N ATOM 0 H LYS A 168 -5.930 -4.521 -4.212 1.00 9.54 H new ATOM 0 HA LYS A 168 -5.528 -6.111 -2.230 1.00 10.05 H new ATOM 0 HB2 LYS A 168 -5.517 -6.876 -4.501 1.00 10.74 H new ATOM 0 HB3 LYS A 168 -4.158 -6.148 -4.737 1.00 10.74 H new ATOM 0 HG2 LYS A 168 -3.091 -7.626 -3.241 1.00 12.79 H new ATOM 0 HG3 LYS A 168 -4.449 -8.340 -2.964 1.00 12.79 H new ATOM 0 HD2 LYS A 168 -4.560 -9.027 -5.241 1.00 17.24 H new ATOM 0 HD3 LYS A 168 -3.210 -8.301 -5.530 1.00 17.24 H new ATOM 0 HE2 LYS A 168 -2.049 -9.819 -4.199 1.00 22.73 H new ATOM 0 HE3 LYS A 168 -3.381 -10.484 -3.735 1.00 22.73 H new ATOM 0 HZ1 LYS A 168 -2.433 -11.720 -5.402 1.00 26.90 H new ATOM 0 HZ2 LYS A 168 -3.706 -11.213 -5.887 1.00 26.90 H new ATOM 0 HZ3 LYS A 168 -2.465 -10.594 -6.320 1.00 26.90 H new ATOM 2790 N THR A 169 -3.069 -4.204 -2.747 1.00 9.42 N ANISOU 2790 N THR A 169 1011 1718 848 68 -37 -175 N ATOM 2791 CA THR A 169 -1.721 -3.829 -2.355 1.00 9.97 C ANISOU 2791 CA THR A 169 1034 1848 906 54 -14 -161 C ATOM 2792 C THR A 169 -1.696 -2.448 -1.694 1.00 9.74 C ANISOU 2792 C THR A 169 1004 1815 880 -15 -3 -127 C ATOM 2793 O THR A 169 -2.598 -1.620 -1.884 1.00 10.50 O ANISOU 2793 O THR A 169 1138 1872 980 -45 -2 -109 O ATOM 2794 CB THR A 169 -0.796 -3.843 -3.580 1.00 10.63 C ANISOU 2794 CB THR A 169 1092 2004 944 73 15 -172 C ATOM 2795 OG1 THR A 169 -1.400 -3.121 -4.654 1.00 11.31 O ANISOU 2795 OG1 THR A 169 1206 2091 999 55 25 -162 O ATOM 2796 CG2 THR A 169 -0.536 -5.254 -4.056 1.00 11.25 C ANISOU 2796 CG2 THR A 169 1164 2091 1022 144 10 -214 C ATOM 0 H THR A 169 -3.423 -3.685 -3.334 1.00 9.42 H new ATOM 0 HA THR A 169 -1.406 -4.477 -1.706 1.00 9.97 H new ATOM 0 HB THR A 169 0.042 -3.432 -3.316 1.00 10.63 H new ATOM 0 HG1 THR A 169 -1.036 -2.367 -4.725 1.00 11.31 H new ATOM 0 HG21 THR A 169 0.050 -5.232 -4.829 1.00 11.25 H new ATOM 0 HG22 THR A 169 -0.115 -5.763 -3.346 1.00 11.25 H new ATOM 0 HG23 THR A 169 -1.376 -5.674 -4.299 1.00 11.25 H new ATOM 2804 N LYS A 170 -0.642 -2.225 -0.914 1.00 10.28 N ANISOU 2804 N LYS A 170 1028 1928 948 -38 7 -119 N ATOM 2805 CA LYS A 170 -0.425 -1.003 -0.172 1.00 10.41 C ANISOU 2805 CA LYS A 170 1039 1947 969 -109 20 -98 C ATOM 2806 C LYS A 170 -0.490 0.164 -1.105 1.00 11.17 C ANISOU 2806 C LYS A 170 1156 2045 1044 -149 51 -78 C ATOM 2807 O LYS A 170 0.190 0.151 -2.155 1.00 14.41 O ANISOU 2807 O LYS A 170 1546 2510 1420 -138 73 -76 O ATOM 2808 CB LYS A 170 0.948 -1.064 0.470 1.00 11.62 C ANISOU 2808 CB LYS A 170 1129 2178 1110 -124 29 -98 C ATOM 2809 CG LYS A 170 1.325 0.174 1.273 1.00 14.73 C ANISOU 2809 CG LYS A 170 1510 2584 1504 -208 44 -87 C ATOM 2810 CD LYS A 170 2.705 0.005 1.860 1.00 17.30 C ANISOU 2810 CD LYS A 170 1761 3002 1809 -222 48 -90 C ATOM 2811 CE LYS A 170 3.248 1.282 2.431 1.00 22.77 C ANISOU 2811 CE LYS A 170 2437 3722 2495 -317 69 -86 C ATOM 2812 NZ LYS A 170 2.557 1.651 3.676 1.00 27.63 N ANISOU 2812 NZ LYS A 170 3079 4286 3134 -353 51 -93 N ATOM 0 H LYS A 170 -0.016 -2.804 -0.803 1.00 10.28 H new ATOM 0 HA LYS A 170 -1.106 -0.903 0.511 1.00 10.41 H new ATOM 0 HB2 LYS A 170 0.986 -1.838 1.054 1.00 11.62 H new ATOM 0 HB3 LYS A 170 1.612 -1.200 -0.224 1.00 11.62 H new ATOM 0 HG2 LYS A 170 1.301 0.959 0.703 1.00 14.73 H new ATOM 0 HG3 LYS A 170 0.679 0.319 1.982 1.00 14.73 H new ATOM 0 HD2 LYS A 170 2.677 -0.670 2.556 1.00 17.30 H new ATOM 0 HD3 LYS A 170 3.308 -0.320 1.173 1.00 17.30 H new ATOM 0 HE2 LYS A 170 4.197 1.183 2.603 1.00 22.77 H new ATOM 0 HE3 LYS A 170 3.151 1.996 1.781 1.00 22.77 H new ATOM 0 HZ1 LYS A 170 2.398 2.527 3.679 1.00 27.63 H new ATOM 0 HZ2 LYS A 170 1.786 1.210 3.730 1.00 27.63 H new ATOM 0 HZ3 LYS A 170 3.068 1.440 4.373 1.00 27.63 H new ATOM 2826 N GLY A 171 -1.260 1.172 -0.739 1.00 10.84 N ANISOU 2826 N GLY A 171 1153 1945 1019 -194 56 -60 N ATOM 2827 CA GLY A 171 -1.383 2.372 -1.517 1.00 13.44 C ANISOU 2827 CA GLY A 171 1509 2263 1336 -233 88 -32 C ATOM 2828 C GLY A 171 -2.618 2.428 -2.380 1.00 16.09 C ANISOU 2828 C GLY A 171 1892 2552 1669 -200 81 -17 C ATOM 2829 O GLY A 171 -2.910 3.479 -2.937 1.00 18.48 O ANISOU 2829 O GLY A 171 2223 2834 1965 -226 107 17 O ATOM 0 H GLY A 171 -1.731 1.172 -0.019 1.00 10.84 H new ATOM 0 HA2 GLY A 171 -1.385 3.135 -0.918 1.00 13.44 H new ATOM 0 HA3 GLY A 171 -0.601 2.459 -2.084 1.00 13.44 H new ATOM 2833 N LYS A 172 -3.335 1.319 -2.541 1.00 10.37 N ANISOU 2833 N LYS A 172 1176 1816 948 -144 48 -38 N ATOM 2834 CA ALYS A 172 -4.556 1.331 -3.334 0.62 10.40 C ANISOU 2834 CA ALYS A 172 1219 1788 945 -116 36 -27 C ATOM 2835 CA BLYS A 172 -4.558 1.321 -3.334 0.38 12.31 C ANISOU 2835 CA BLYS A 172 1461 2031 1188 -115 36 -27 C ATOM 2836 C LYS A 172 -5.763 1.754 -2.505 1.00 8.62 C ANISOU 2836 C LYS A 172 1028 1490 757 -127 21 -15 C ATOM 2837 O LYS A 172 -5.846 1.461 -1.305 1.00 8.74 O ANISOU 2837 O LYS A 172 1038 1479 804 -136 5 -30 O ATOM 2838 CB ALYS A 172 -4.805 -0.035 -3.966 0.62 11.84 C ANISOU 2838 CB ALYS A 172 1394 1992 1113 -59 10 -63 C ATOM 2839 CB BLYS A 172 -4.822 -0.061 -3.928 0.38 13.24 C ANISOU 2839 CB BLYS A 172 1572 2168 1292 -58 9 -63 C ATOM 2840 CG ALYS A 172 -3.742 -0.401 -5.004 0.62 13.60 C ANISOU 2840 CG ALYS A 172 1587 2289 1292 -39 30 -76 C ATOM 2841 CG BLYS A 172 -3.826 -0.477 -5.005 0.38 14.35 C ANISOU 2841 CG BLYS A 172 1683 2381 1388 -35 27 -78 C ATOM 2842 CD ALYS A 172 -4.206 -1.431 -6.020 0.62 14.86 C ANISOU 2842 CD ALYS A 172 1754 2468 1425 13 12 -110 C ATOM 2843 CD BLYS A 172 -4.256 -1.759 -5.694 0.38 18.69 C ANISOU 2843 CD BLYS A 172 2239 2940 1924 19 3 -121 C ATOM 2844 CE ALYS A 172 -3.241 -1.535 -7.186 0.62 21.08 C ANISOU 2844 CE ALYS A 172 2515 3335 2159 30 39 -119 C ATOM 2845 CE BLYS A 172 -3.175 -2.308 -6.603 0.38 21.92 C ANISOU 2845 CE BLYS A 172 2616 3421 2292 48 23 -146 C ATOM 2846 NZ ALYS A 172 -3.071 -0.242 -7.885 0.62 25.27 N ANISOU 2846 NZ ALYS A 172 3049 3896 2656 -5 71 -68 N ATOM 2847 NZ BLYS A 172 -3.178 -3.797 -6.579 0.38 20.06 N ANISOU 2847 NZ BLYS A 172 2377 3175 2068 100 3 -200 N ATOM 0 H ALYS A 172 -3.132 0.555 -2.201 0.62 10.37 H new ATOM 0 H BLYS A 172 -3.130 0.557 -2.200 0.38 10.37 H new ATOM 0 HA ALYS A 172 -4.434 1.986 -4.039 0.62 12.31 H new ATOM 0 HA BLYS A 172 -4.431 1.961 -4.052 0.38 12.31 H new ATOM 0 HB2ALYS A 172 -4.821 -0.712 -3.271 0.62 13.24 H new ATOM 0 HB2BLYS A 172 -4.805 -0.718 -3.214 0.38 13.24 H new ATOM 0 HB3ALYS A 172 -5.679 -0.039 -4.387 0.62 13.24 H new ATOM 0 HB3BLYS A 172 -5.716 -0.075 -4.305 0.38 13.24 H new ATOM 0 HG2ALYS A 172 -3.469 0.403 -5.473 0.62 14.35 H new ATOM 0 HG2BLYS A 172 -3.742 0.232 -5.661 0.38 14.35 H new ATOM 0 HG3ALYS A 172 -2.958 -0.742 -4.545 0.62 14.35 H new ATOM 0 HG3BLYS A 172 -2.950 -0.600 -4.607 0.38 14.35 H new ATOM 0 HD2ALYS A 172 -4.290 -2.296 -5.590 0.62 18.69 H new ATOM 0 HD2BLYS A 172 -4.483 -2.424 -5.025 0.38 18.69 H new ATOM 0 HD3ALYS A 172 -5.087 -1.190 -6.348 0.62 18.69 H new ATOM 0 HD3BLYS A 172 -5.059 -1.593 -6.212 0.38 18.69 H new ATOM 0 HE2ALYS A 172 -2.379 -1.843 -6.865 0.62 21.92 H new ATOM 0 HE2BLYS A 172 -3.317 -1.994 -7.510 0.38 21.92 H new ATOM 0 HE3ALYS A 172 -3.564 -2.200 -7.813 0.62 21.92 H new ATOM 0 HE3BLYS A 172 -2.308 -1.977 -6.320 0.38 21.92 H new ATOM 0 HZ1ALYS A 172 -3.094 -0.375 -8.765 0.62 20.06 H new ATOM 0 HZ1BLYS A 172 -2.994 -4.108 -7.393 0.38 20.06 H new ATOM 0 HZ2ALYS A 172 -3.729 0.311 -7.652 0.62 20.06 H new ATOM 0 HZ2BLYS A 172 -2.562 -4.086 -6.005 0.38 20.06 H new ATOM 0 HZ3ALYS A 172 -2.288 0.117 -7.660 0.62 20.06 H new ATOM 0 HZ3BLYS A 172 -3.980 -4.088 -6.325 0.38 20.06 H new ATOM 2874 N SER A 173 -6.683 2.443 -3.152 1.00 9.26 N ANISOU 2874 N SER A 173 1142 1547 831 -122 28 16 N ATOM 2875 CA SER A 173 -7.925 2.834 -2.508 1.00 9.27 C ANISOU 2875 CA SER A 173 1173 1486 863 -122 16 30 C ATOM 2876 C SER A 173 -9.057 2.721 -3.509 1.00 9.10 C ANISOU 2876 C SER A 173 1170 1469 821 -84 1 47 C ATOM 2877 O SER A 173 -8.831 2.636 -4.735 1.00 9.65 O ANISOU 2877 O SER A 173 1232 1586 847 -66 7 56 O ATOM 2878 CB SER A 173 -7.841 4.257 -1.962 1.00 10.37 C ANISOU 2878 CB SER A 173 1336 1582 1023 -167 51 61 C ATOM 2879 OG SER A 173 -7.756 5.239 -2.983 1.00 14.07 O ANISOU 2879 OG SER A 173 1822 2056 1470 -174 85 105 O ATOM 0 H SER A 173 -6.609 2.697 -3.970 1.00 9.26 H new ATOM 0 HA SER A 173 -8.089 2.242 -1.757 1.00 9.27 H new ATOM 0 HB2 SER A 173 -8.621 4.434 -1.414 1.00 10.37 H new ATOM 0 HB3 SER A 173 -7.066 4.331 -1.384 1.00 10.37 H new ATOM 0 HG SER A 173 -8.523 5.391 -3.291 1.00 14.07 H new ATOM 2885 N ALA A 174 -10.286 2.750 -3.014 1.00 8.24 N ANISOU 2885 N ALA A 174 1078 1317 736 -72 -19 54 N ATOM 2886 CA ALA A 174 -11.478 2.708 -3.845 1.00 9.49 C ANISOU 2886 CA ALA A 174 1247 1485 874 -38 -36 74 C ATOM 2887 C ALA A 174 -12.606 3.485 -3.179 1.00 8.39 C ANISOU 2887 C ALA A 174 1131 1293 766 -36 -33 105 C ATOM 2888 O ALA A 174 -12.650 3.623 -1.956 1.00 8.05 O ANISOU 2888 O ALA A 174 1093 1205 761 -56 -31 93 O ATOM 2889 CB ALA A 174 -11.933 1.269 -4.071 1.00 11.57 C ANISOU 2889 CB ALA A 174 1495 1774 1129 -13 -78 29 C ATOM 0 H ALA A 174 -10.453 2.795 -2.172 1.00 8.24 H new ATOM 0 HA ALA A 174 -11.260 3.110 -4.701 1.00 9.49 H new ATOM 0 HB1 ALA A 174 -12.728 1.264 -4.627 1.00 11.57 H new ATOM 0 HB2 ALA A 174 -11.227 0.772 -4.513 1.00 11.57 H new ATOM 0 HB3 ALA A 174 -12.134 0.855 -3.217 1.00 11.57 H new ATOM 2895 N ASP A 175 -13.537 3.977 -3.991 1.00 9.55 N ANISOU 2895 N ASP A 175 1287 1451 892 -8 -33 145 N ATOM 2896 CA AASP A 175 -14.784 4.545 -3.472 0.46 9.74 C ANISOU 2896 CA AASP A 175 1325 1435 941 9 -35 174 C ATOM 2897 CA BASP A 175 -14.712 4.599 -3.424 0.54 8.72 C ANISOU 2897 CA BASP A 175 1197 1302 813 6 -32 174 C ATOM 2898 C ASP A 175 -15.415 3.599 -2.516 1.00 10.26 C ANISOU 2898 C ASP A 175 1378 1486 1034 8 -70 134 C ATOM 2899 O ASP A 175 -15.473 2.406 -2.782 1.00 11.61 O ANISOU 2899 O ASP A 175 1530 1690 1192 13 -104 96 O ATOM 2900 CB AASP A 175 -15.817 4.744 -4.592 0.46 10.41 C ANISOU 2900 CB AASP A 175 1406 1561 989 50 -47 215 C ATOM 2901 CB BASP A 175 -15.655 5.089 -4.527 0.54 12.82 C ANISOU 2901 CB BASP A 175 1718 1853 1298 46 -34 226 C ATOM 2902 CG AASP A 175 -17.282 4.783 -4.061 0.46 11.50 C ANISOU 2902 CG AASP A 175 1541 1682 1148 75 -67 229 C ATOM 2903 CG BASP A 175 -16.804 5.929 -3.983 0.54 10.48 C ANISOU 2903 CG BASP A 175 1439 1513 1032 69 -23 267 C ATOM 2904 OD1AASP A 175 -17.677 5.887 -3.635 0.46 12.92 O ANISOU 2904 OD1AASP A 175 1743 1813 1353 86 -36 272 O ATOM 2905 OD1BASP A 175 -16.664 7.181 -3.997 0.54 14.01 O ANISOU 2905 OD1BASP A 175 1914 1916 1492 72 21 315 O ATOM 2906 OD2AASP A 175 -18.036 3.753 -4.050 0.46 11.18 O ANISOU 2906 OD2AASP A 175 1476 1671 1100 83 -109 198 O ATOM 2907 OD2BASP A 175 -17.811 5.332 -3.519 0.54 9.58 O ANISOU 2907 OD2BASP A 175 1308 1403 929 83 -55 250 O ATOM 0 H AASP A 175 -13.468 3.993 -4.848 0.46 9.55 H new ATOM 0 H BASP A 175 -13.505 3.959 -4.850 0.54 9.55 H new ATOM 0 HA AASP A 175 -14.552 5.390 -3.057 0.46 8.72 H new ATOM 0 HA BASP A 175 -14.445 5.373 -2.903 0.54 8.72 H new ATOM 0 HB2AASP A 175 -15.625 5.571 -5.060 0.46 12.82 H new ATOM 0 HB2BASP A 175 -15.151 5.613 -5.170 0.54 12.82 H new ATOM 0 HB3AASP A 175 -15.730 4.026 -5.238 0.46 12.82 H new ATOM 0 HB3BASP A 175 -16.015 4.325 -5.004 0.54 12.82 H new ATOM 2916 N PHE A 176 -15.943 4.105 -1.424 1.00 7.34 N ANISOU 2916 N PHE A 176 1021 1065 702 2 -61 142 N ATOM 2917 CA PHE A 176 -16.685 3.247 -0.530 1.00 7.79 C ANISOU 2917 CA PHE A 176 1064 1113 783 2 -92 114 C ATOM 2918 C PHE A 176 -17.776 4.048 0.166 1.00 7.42 C ANISOU 2918 C PHE A 176 1029 1029 761 17 -80 143 C ATOM 2919 O PHE A 176 -17.907 4.036 1.377 1.00 10.14 O ANISOU 2919 O PHE A 176 1377 1341 1137 1 -77 126 O ATOM 2920 CB PHE A 176 -15.768 2.537 0.461 1.00 7.96 C ANISOU 2920 CB PHE A 176 1077 1121 825 -29 -98 71 C ATOM 2921 CG PHE A 176 -16.324 1.220 0.940 1.00 7.22 C ANISOU 2921 CG PHE A 176 965 1034 744 -26 -138 40 C ATOM 2922 CD1 PHE A 176 -16.430 0.161 0.059 1.00 8.86 C ANISOU 2922 CD1 PHE A 176 1159 1277 932 -14 -167 18 C ATOM 2923 CD2 PHE A 176 -16.746 1.045 2.224 1.00 7.66 C ANISOU 2923 CD2 PHE A 176 1018 1062 831 -37 -143 33 C ATOM 2924 CE1 PHE A 176 -16.939 -1.070 0.487 1.00 10.66 C ANISOU 2924 CE1 PHE A 176 1374 1500 1176 -16 -199 -11 C ATOM 2925 CE2 PHE A 176 -17.232 -0.172 2.664 1.00 8.86 C ANISOU 2925 CE2 PHE A 176 1154 1216 997 -38 -176 11 C ATOM 2926 CZ PHE A 176 -17.359 -1.224 1.777 1.00 8.80 C ANISOU 2926 CZ PHE A 176 1137 1234 975 -28 -203 -10 C ATOM 0 H PHE A 176 -15.886 4.929 -1.183 1.00 7.34 H new ATOM 0 HA PHE A 176 -17.110 2.548 -1.051 1.00 7.79 H new ATOM 0 HB2 PHE A 176 -14.905 2.386 0.044 1.00 7.96 H new ATOM 0 HB3 PHE A 176 -15.616 3.115 1.225 1.00 7.96 H new ATOM 0 HD1 PHE A 176 -16.161 0.267 -0.825 1.00 8.86 H new ATOM 0 HD2 PHE A 176 -16.706 1.760 2.817 1.00 7.66 H new ATOM 0 HE1 PHE A 176 -16.991 -1.783 -0.107 1.00 10.66 H new ATOM 0 HE2 PHE A 176 -17.473 -0.283 3.555 1.00 8.86 H new ATOM 0 HZ PHE A 176 -17.728 -2.031 2.057 1.00 8.80 H new ATOM 2936 N THR A 177 -18.589 4.711 -0.642 1.00 7.85 N ANISOU 2936 N THR A 177 1088 1097 799 52 -73 188 N ATOM 2937 CA THR A 177 -19.691 5.496 -0.143 1.00 7.57 C ANISOU 2937 CA THR A 177 1059 1031 784 79 -58 221 C ATOM 2938 C THR A 177 -20.897 4.638 0.223 1.00 7.30 C ANISOU 2938 C THR A 177 994 1025 753 93 -97 209 C ATOM 2939 O THR A 177 -21.058 3.482 -0.248 1.00 7.47 O ANISOU 2939 O THR A 177 989 1094 755 86 -138 182 O ATOM 2940 CB THR A 177 -20.076 6.604 -1.153 1.00 8.31 C ANISOU 2940 CB THR A 177 1168 1130 859 120 -31 286 C ATOM 2941 OG1 THR A 177 -20.298 6.033 -2.442 1.00 9.72 O ANISOU 2941 OG1 THR A 177 1322 1383 990 139 -61 297 O ATOM 2942 CG2 THR A 177 -19.016 7.704 -1.210 1.00 10.27 C ANISOU 2942 CG2 THR A 177 1456 1327 1119 100 20 305 C ATOM 0 H THR A 177 -18.512 4.715 -1.499 1.00 7.85 H new ATOM 0 HA THR A 177 -19.393 5.919 0.677 1.00 7.57 H new ATOM 0 HB THR A 177 -20.899 7.019 -0.852 1.00 8.31 H new ATOM 0 HG1 THR A 177 -19.562 5.925 -2.832 1.00 9.72 H new ATOM 0 HG21 THR A 177 -19.286 8.381 -1.850 1.00 10.27 H new ATOM 0 HG22 THR A 177 -18.921 8.108 -0.333 1.00 10.27 H new ATOM 0 HG23 THR A 177 -18.167 7.322 -1.483 1.00 10.27 H new ATOM 2950 N ASN A 178 -21.771 5.224 1.036 1.00 7.15 N ANISOU 2950 N ASN A 178 979 977 761 111 -82 227 N ATOM 2951 CA ASN A 178 -23.051 4.628 1.420 1.00 7.99 C ANISOU 2951 CA ASN A 178 1052 1113 871 126 -112 226 C ATOM 2952 C ASN A 178 -22.925 3.306 2.138 1.00 8.17 C ANISOU 2952 C ASN A 178 1055 1144 905 88 -145 176 C ATOM 2953 O ASN A 178 -23.825 2.463 2.041 1.00 12.61 O ANISOU 2953 O ASN A 178 1586 1746 1461 89 -180 169 O ATOM 2954 CB ASN A 178 -23.975 4.521 0.209 1.00 8.31 C ANISOU 2954 CB ASN A 178 1063 1219 874 163 -136 260 C ATOM 2955 CG ASN A 178 -24.217 5.887 -0.409 1.00 9.58 C ANISOU 2955 CG ASN A 178 1243 1370 1027 212 -99 323 C ATOM 2956 OD1 ASN A 178 -24.918 6.724 0.186 1.00 10.81 O ANISOU 2956 OD1 ASN A 178 1407 1495 1207 245 -71 354 O ATOM 2957 ND2 ASN A 178 -23.581 6.159 -1.544 1.00 9.25 N ANISOU 2957 ND2 ASN A 178 1212 1349 952 218 -93 345 N ATOM 0 H ASN A 178 -21.635 5.997 1.388 1.00 7.15 H new ATOM 0 HA ASN A 178 -23.446 5.231 2.069 1.00 7.99 H new ATOM 0 HB2 ASN A 178 -23.583 3.928 -0.451 1.00 8.31 H new ATOM 0 HB3 ASN A 178 -24.821 4.128 0.476 1.00 8.31 H new ATOM 0 HD21 ASN A 178 -23.645 6.941 -1.896 1.00 9.25 H new ATOM 0 HD22 ASN A 178 -23.105 5.553 -1.926 1.00 9.25 H new ATOM 2964 N PHE A 179 -21.854 3.100 2.877 1.00 7.39 N ANISOU 2964 N PHE A 179 973 1010 823 53 -135 144 N ATOM 2965 CA PHE A 179 -21.708 1.909 3.700 1.00 7.53 C ANISOU 2965 CA PHE A 179 975 1029 856 23 -162 106 C ATOM 2966 C PHE A 179 -22.195 2.204 5.102 1.00 8.17 C ANISOU 2966 C PHE A 179 1056 1084 963 17 -147 106 C ATOM 2967 O PHE A 179 -21.820 3.232 5.690 1.00 8.69 O ANISOU 2967 O PHE A 179 1148 1116 1040 16 -110 110 O ATOM 2968 CB PHE A 179 -20.275 1.420 3.752 1.00 8.26 C ANISOU 2968 CB PHE A 179 1079 1113 948 -6 -161 75 C ATOM 2969 CG PHE A 179 -20.107 0.206 4.619 1.00 7.62 C ANISOU 2969 CG PHE A 179 983 1029 883 -29 -185 46 C ATOM 2970 CD1 PHE A 179 -20.465 -1.025 4.124 1.00 8.06 C ANISOU 2970 CD1 PHE A 179 1022 1105 936 -32 -220 30 C ATOM 2971 CD2 PHE A 179 -19.669 0.289 5.921 1.00 6.37 C ANISOU 2971 CD2 PHE A 179 828 849 743 -49 -172 37 C ATOM 2972 CE1 PHE A 179 -20.400 -2.174 4.903 1.00 8.59 C ANISOU 2972 CE1 PHE A 179 1078 1161 1024 -51 -239 11 C ATOM 2973 CE2 PHE A 179 -19.583 -0.839 6.711 1.00 7.22 C ANISOU 2973 CE2 PHE A 179 921 958 865 -65 -194 22 C ATOM 2974 CZ PHE A 179 -19.934 -2.074 6.200 1.00 7.91 C ANISOU 2974 CZ PHE A 179 996 1056 956 -64 -225 12 C ATOM 0 H PHE A 179 -21.189 3.644 2.919 1.00 7.39 H new ATOM 0 HA PHE A 179 -22.241 1.206 3.298 1.00 7.53 H new ATOM 0 HB2 PHE A 179 -19.975 1.214 2.853 1.00 8.26 H new ATOM 0 HB3 PHE A 179 -19.706 2.132 4.085 1.00 8.26 H new ATOM 0 HD1 PHE A 179 -20.759 -1.091 3.244 1.00 8.06 H new ATOM 0 HD2 PHE A 179 -19.428 1.116 6.273 1.00 6.37 H new ATOM 0 HE1 PHE A 179 -20.665 -2.996 4.558 1.00 8.59 H new ATOM 0 HE2 PHE A 179 -19.288 -0.768 7.590 1.00 7.22 H new ATOM 0 HZ PHE A 179 -19.857 -2.836 6.728 1.00 7.91 H new ATOM 2984 N ASP A 180 -22.969 1.284 5.675 1.00 7.43 N ANISOU 2984 N ASP A 180 936 1007 878 9 -173 98 N ATOM 2985 CA ASP A 180 -23.595 1.474 6.972 1.00 7.27 C ANISOU 2985 CA ASP A 180 909 976 877 6 -161 101 C ATOM 2986 C ASP A 180 -22.885 0.637 8.024 1.00 6.30 C ANISOU 2986 C ASP A 180 784 843 766 -29 -170 75 C ATOM 2987 O ASP A 180 -23.059 -0.572 8.057 1.00 7.28 O ANISOU 2987 O ASP A 180 890 982 896 -45 -200 67 O ATOM 2988 CB ASP A 180 -25.057 1.079 6.891 1.00 8.46 C ANISOU 2988 CB ASP A 180 1025 1162 1027 22 -181 120 C ATOM 2989 CG ASP A 180 -25.816 1.476 8.110 1.00 9.32 C ANISOU 2989 CG ASP A 180 1125 1266 1150 29 -162 129 C ATOM 2990 OD1 ASP A 180 -25.225 1.709 9.166 1.00 8.87 O ANISOU 2990 OD1 ASP A 180 1084 1183 1102 12 -141 113 O ATOM 2991 OD2 ASP A 180 -27.069 1.549 7.990 1.00 15.13 O ANISOU 2991 OD2 ASP A 180 1831 2035 1883 52 -168 152 O ATOM 0 H ASP A 180 -23.145 0.524 5.313 1.00 7.43 H new ATOM 0 HA ASP A 180 -23.529 2.408 7.224 1.00 7.27 H new ATOM 0 HB2 ASP A 180 -25.460 1.494 6.112 1.00 8.46 H new ATOM 0 HB3 ASP A 180 -25.125 0.119 6.768 1.00 8.46 H new ATOM 2996 N PRO A 181 -22.072 1.259 8.883 1.00 6.26 N ANISOU 2996 N PRO A 181 799 816 765 -43 -142 63 N ATOM 2997 CA PRO A 181 -21.336 0.442 9.857 1.00 7.18 C ANISOU 2997 CA PRO A 181 907 935 885 -73 -153 44 C ATOM 2998 C PRO A 181 -22.220 -0.184 10.921 1.00 6.23 C ANISOU 2998 C PRO A 181 764 828 774 -80 -164 52 C ATOM 2999 O PRO A 181 -21.726 -1.061 11.648 1.00 6.91 O ANISOU 2999 O PRO A 181 840 921 863 -100 -177 47 O ATOM 3000 CB PRO A 181 -20.349 1.438 10.460 1.00 7.88 C ANISOU 3000 CB PRO A 181 1019 1008 969 -89 -120 28 C ATOM 3001 CG PRO A 181 -21.006 2.774 10.282 1.00 7.33 C ANISOU 3001 CG PRO A 181 969 914 902 -68 -86 39 C ATOM 3002 CD PRO A 181 -21.712 2.675 8.962 1.00 7.37 C ANISOU 3002 CD PRO A 181 969 927 905 -36 -101 64 C ATOM 0 HA PRO A 181 -20.915 -0.326 9.440 1.00 7.18 H new ATOM 0 HB2 PRO A 181 -20.184 1.248 11.397 1.00 7.88 H new ATOM 0 HB3 PRO A 181 -19.492 1.403 10.008 1.00 7.88 H new ATOM 0 HG2 PRO A 181 -21.629 2.960 11.002 1.00 7.33 H new ATOM 0 HG3 PRO A 181 -20.353 3.491 10.280 1.00 7.33 H new ATOM 0 HD2 PRO A 181 -22.495 3.246 8.930 1.00 7.37 H new ATOM 0 HD3 PRO A 181 -21.137 2.940 8.227 1.00 7.37 H new ATOM 3010 N ARG A 182 -23.484 0.195 11.014 1.00 6.46 N ANISOU 3010 N ARG A 182 781 866 806 -61 -157 69 N ATOM 3011 CA ARG A 182 -24.374 -0.487 11.959 1.00 8.18 C ANISOU 3011 CA ARG A 182 972 1105 1031 -70 -168 80 C ATOM 3012 C ARG A 182 -24.472 -1.970 11.638 1.00 8.20 C ANISOU 3012 C ARG A 182 956 1116 1044 -89 -205 83 C ATOM 3013 O ARG A 182 -24.741 -2.787 12.544 1.00 8.65 O ANISOU 3013 O ARG A 182 997 1181 1109 -108 -215 92 O ATOM 3014 CB ARG A 182 -25.771 0.147 11.945 1.00 8.13 C ANISOU 3014 CB ARG A 182 950 1116 1025 -42 -155 100 C ATOM 3015 CG ARG A 182 -25.719 1.583 12.473 1.00 8.59 C ANISOU 3015 CG ARG A 182 1030 1154 1079 -20 -110 94 C ATOM 3016 CD ARG A 182 -27.062 2.263 12.416 1.00 10.22 C ANISOU 3016 CD ARG A 182 1221 1376 1288 20 -93 117 C ATOM 3017 NE ARG A 182 -27.452 2.479 11.041 1.00 11.13 N ANISOU 3017 NE ARG A 182 1333 1497 1400 49 -104 139 N ATOM 3018 CZ ARG A 182 -28.561 3.089 10.669 1.00 12.85 C ANISOU 3018 CZ ARG A 182 1533 1734 1616 93 -92 167 C ATOM 3019 NH1 ARG A 182 -29.395 3.529 11.597 1.00 16.32 N ANISOU 3019 NH1 ARG A 182 1957 2185 2059 114 -67 173 N ATOM 3020 NH2 ARG A 182 -28.859 3.254 9.385 1.00 13.42 N ANISOU 3020 NH2 ARG A 182 1598 1823 1679 120 -106 190 N ATOM 0 H ARG A 182 -23.846 0.827 10.556 1.00 6.46 H new ATOM 0 HA ARG A 182 -23.996 -0.387 12.847 1.00 8.18 H new ATOM 0 HB2 ARG A 182 -26.124 0.142 11.042 1.00 8.13 H new ATOM 0 HB3 ARG A 182 -26.376 -0.381 12.489 1.00 8.13 H new ATOM 0 HG2 ARG A 182 -25.401 1.577 13.389 1.00 8.59 H new ATOM 0 HG3 ARG A 182 -25.078 2.093 11.953 1.00 8.59 H new ATOM 0 HD2 ARG A 182 -27.727 1.719 12.867 1.00 10.22 H new ATOM 0 HD3 ARG A 182 -27.023 3.111 12.886 1.00 10.22 H new ATOM 0 HE ARG A 182 -26.926 2.191 10.425 1.00 11.13 H new ATOM 0 HH11 ARG A 182 -29.211 3.416 12.429 1.00 16.32 H new ATOM 0 HH12 ARG A 182 -30.121 3.928 11.368 1.00 16.32 H new ATOM 0 HH21 ARG A 182 -28.325 2.961 8.778 1.00 13.42 H new ATOM 0 HH22 ARG A 182 -29.586 3.654 9.160 1.00 13.42 H new ATOM 3034 N GLY A 183 -24.273 -2.356 10.376 1.00 7.46 N ANISOU 3034 N GLY A 183 867 1018 949 -85 -225 76 N ATOM 3035 CA GLY A 183 -24.300 -3.761 9.992 1.00 8.03 C ANISOU 3035 CA GLY A 183 930 1088 1033 -106 -257 69 C ATOM 3036 C GLY A 183 -23.130 -4.603 10.454 1.00 8.06 C ANISOU 3036 C GLY A 183 946 1069 1047 -120 -262 59 C ATOM 3037 O GLY A 183 -23.101 -5.804 10.168 1.00 9.19 O ANISOU 3037 O GLY A 183 1086 1198 1206 -134 -284 52 O ATOM 0 H GLY A 183 -24.120 -1.813 9.727 1.00 7.46 H new ATOM 0 HA2 GLY A 183 -25.115 -4.156 10.338 1.00 8.03 H new ATOM 0 HA3 GLY A 183 -24.349 -3.812 9.025 1.00 8.03 H new ATOM 3041 N LEU A 184 -22.181 -3.999 11.150 1.00 6.75 N ANISOU 3041 N LEU A 184 791 901 872 -118 -242 56 N ATOM 3042 CA LEU A 184 -21.060 -4.744 11.698 1.00 7.55 C ANISOU 3042 CA LEU A 184 896 995 979 -126 -247 53 C ATOM 3043 C LEU A 184 -21.130 -4.981 13.202 1.00 7.90 C ANISOU 3043 C LEU A 184 927 1053 1024 -138 -241 73 C ATOM 3044 O LEU A 184 -20.220 -5.579 13.767 1.00 9.95 O ANISOU 3044 O LEU A 184 1184 1314 1284 -141 -244 79 O ATOM 3045 CB LEU A 184 -19.756 -4.018 11.384 1.00 7.79 C ANISOU 3045 CB LEU A 184 940 1027 992 -119 -232 36 C ATOM 3046 CG LEU A 184 -19.423 -3.838 9.895 1.00 7.61 C ANISOU 3046 CG LEU A 184 931 998 963 -106 -235 19 C ATOM 3047 CD1 LEU A 184 -18.192 -2.988 9.709 1.00 10.41 C ANISOU 3047 CD1 LEU A 184 1296 1359 1299 -107 -215 7 C ATOM 3048 CD2 LEU A 184 -19.277 -5.158 9.164 1.00 10.21 C ANISOU 3048 CD2 LEU A 184 1260 1314 1305 -103 -259 8 C ATOM 0 H LEU A 184 -22.167 -3.156 11.317 1.00 6.75 H new ATOM 0 HA LEU A 184 -21.099 -5.616 11.275 1.00 7.55 H new ATOM 0 HB2 LEU A 184 -19.788 -3.141 11.798 1.00 7.79 H new ATOM 0 HB3 LEU A 184 -19.028 -4.503 11.803 1.00 7.79 H new ATOM 0 HG LEU A 184 -20.180 -3.377 9.500 1.00 7.61 H new ATOM 0 HD11 LEU A 184 -18.005 -2.891 8.762 1.00 10.41 H new ATOM 0 HD12 LEU A 184 -18.341 -2.113 10.100 1.00 10.41 H new ATOM 0 HD13 LEU A 184 -17.437 -3.412 10.145 1.00 10.41 H new ATOM 0 HD21 LEU A 184 -19.068 -4.990 8.232 1.00 10.21 H new ATOM 0 HD22 LEU A 184 -18.562 -5.674 9.568 1.00 10.21 H new ATOM 0 HD23 LEU A 184 -20.108 -5.655 9.224 1.00 10.21 H new ATOM 3060 N LEU A 185 -22.190 -4.511 13.854 1.00 7.95 N ANISOU 3060 N LEU A 185 921 1075 1027 -142 -230 86 N ATOM 3061 CA ALEU A 185 -22.323 -4.596 15.308 0.61 7.39 C ANISOU 3061 CA ALEU A 185 834 1026 947 -154 -221 104 C ATOM 3062 CA BLEU A 185 -22.250 -4.645 15.298 0.39 7.21 C ANISOU 3062 CA BLEU A 185 812 1003 925 -154 -222 104 C ATOM 3063 C LEU A 185 -23.005 -5.903 15.686 1.00 7.95 C ANISOU 3063 C LEU A 185 887 1093 1038 -168 -239 134 C ATOM 3064 O LEU A 185 -23.806 -6.438 14.923 1.00 9.06 O ANISOU 3064 O LEU A 185 1024 1218 1199 -173 -254 136 O ATOM 3065 CB ALEU A 185 -23.171 -3.411 15.814 0.61 8.75 C ANISOU 3065 CB ALEU A 185 1002 1218 1104 -148 -195 101 C ATOM 3066 CB BLEU A 185 -22.880 -3.398 15.918 0.39 8.95 C ANISOU 3066 CB BLEU A 185 1029 1244 1126 -150 -194 98 C ATOM 3067 CG ALEU A 185 -22.699 -2.000 15.444 0.61 9.39 C ANISOU 3067 CG ALEU A 185 1106 1290 1171 -136 -170 73 C ATOM 3068 CG BLEU A 185 -21.882 -2.278 16.252 0.39 9.04 C ANISOU 3068 CG BLEU A 185 1059 1261 1116 -151 -170 71 C ATOM 3069 CD1ALEU A 185 -23.596 -0.912 15.941 0.61 13.22 C ANISOU 3069 CD1ALEU A 185 1591 1784 1648 -124 -140 70 C ATOM 3070 CD1BLEU A 185 -21.026 -1.913 15.051 0.39 10.29 C ANISOU 3070 CD1BLEU A 185 1238 1394 1277 -145 -171 52 C ATOM 3071 CD2ALEU A 185 -21.316 -1.794 16.023 0.61 12.21 C ANISOU 3071 CD2ALEU A 185 1472 1657 1511 -152 -162 56 C ATOM 3072 CD2BLEU A 185 -22.621 -1.050 16.761 0.39 11.62 C ANISOU 3072 CD2BLEU A 185 1390 1595 1430 -144 -138 59 C ATOM 0 H ALEU A 185 -22.856 -4.132 13.464 0.61 7.95 H new ATOM 0 H BLEU A 185 -22.865 -4.123 13.489 0.39 7.95 H new ATOM 0 HA ALEU A 185 -21.442 -4.565 15.714 0.61 7.21 H new ATOM 0 HA BLEU A 185 -21.348 -4.727 15.645 0.39 7.21 H new ATOM 0 HB2ALEU A 185 -24.074 -3.523 15.478 0.61 8.95 H new ATOM 0 HB2BLEU A 185 -23.548 -3.049 15.307 0.39 8.95 H new ATOM 0 HB3ALEU A 185 -23.219 -3.468 16.781 0.61 8.95 H new ATOM 0 HB3BLEU A 185 -23.345 -3.654 16.730 0.39 8.95 H new ATOM 0 HG ALEU A 185 -22.705 -1.943 14.476 0.61 9.04 H new ATOM 0 HG BLEU A 185 -21.291 -2.607 16.947 0.39 9.04 H new ATOM 0 HD11ALEU A 185 -23.240 -0.051 15.673 0.61 10.29 H new ATOM 0 HD11BLEU A 185 -20.409 -1.205 15.296 0.39 10.29 H new ATOM 0 HD12ALEU A 185 -24.483 -1.026 15.564 0.61 10.29 H new ATOM 0 HD12BLEU A 185 -20.525 -2.692 14.761 0.39 10.29 H new ATOM 0 HD13ALEU A 185 -23.649 -0.952 16.909 0.61 10.29 H new ATOM 0 HD13BLEU A 185 -21.596 -1.608 14.328 0.39 10.29 H new ATOM 0 HD21ALEU A 185 -21.000 -0.905 15.799 0.61 11.62 H new ATOM 0 HD21BLEU A 185 -21.982 -0.350 16.968 0.39 11.62 H new ATOM 0 HD22ALEU A 185 -21.351 -1.890 16.988 0.61 11.62 H new ATOM 0 HD22BLEU A 185 -23.234 -0.735 16.079 0.39 11.62 H new ATOM 0 HD23ALEU A 185 -20.709 -2.455 15.654 0.61 11.62 H new ATOM 0 HD23BLEU A 185 -23.119 -1.280 17.561 0.39 11.62 H new ATOM 3095 N PRO A 186 -22.741 -6.400 16.893 1.00 7.64 N ANISOU 3095 N PRO A 186 836 1072 993 -177 -236 159 N ATOM 3096 CA PRO A 186 -23.517 -7.505 17.461 1.00 8.12 C ANISOU 3096 CA PRO A 186 881 1131 1073 -194 -245 196 C ATOM 3097 C PRO A 186 -24.821 -6.961 18.040 1.00 7.98 C ANISOU 3097 C PRO A 186 841 1147 1044 -202 -231 207 C ATOM 3098 O PRO A 186 -25.055 -5.754 18.015 1.00 8.25 O ANISOU 3098 O PRO A 186 876 1201 1059 -189 -213 185 O ATOM 3099 CB PRO A 186 -22.614 -8.028 18.565 1.00 8.60 C ANISOU 3099 CB PRO A 186 936 1210 1122 -193 -243 223 C ATOM 3100 CG PRO A 186 -21.962 -6.830 19.057 1.00 8.24 C ANISOU 3100 CG PRO A 186 891 1203 1038 -186 -226 199 C ATOM 3101 CD PRO A 186 -21.687 -5.958 17.820 1.00 7.66 C ANISOU 3101 CD PRO A 186 838 1105 967 -176 -224 156 C ATOM 0 HA PRO A 186 -23.759 -8.190 16.819 1.00 8.12 H new ATOM 0 HB2 PRO A 186 -23.121 -8.472 19.263 1.00 8.60 H new ATOM 0 HB3 PRO A 186 -21.972 -8.672 18.228 1.00 8.60 H new ATOM 0 HG2 PRO A 186 -22.527 -6.363 19.692 1.00 8.24 H new ATOM 0 HG3 PRO A 186 -21.137 -7.048 19.518 1.00 8.24 H new ATOM 0 HD2 PRO A 186 -21.754 -5.011 18.021 1.00 7.66 H new ATOM 0 HD3 PRO A 186 -20.799 -6.109 17.459 1.00 7.66 H new ATOM 3109 N GLU A 187 -25.661 -7.846 18.541 1.00 8.61 N ANISOU 3109 N GLU A 187 900 1232 1139 -223 -237 242 N ATOM 3110 CA GLU A 187 -26.927 -7.478 19.109 1.00 8.13 C ANISOU 3110 CA GLU A 187 810 1210 1068 -231 -223 257 C ATOM 3111 C GLU A 187 -26.786 -6.658 20.383 1.00 9.16 C ANISOU 3111 C GLU A 187 932 1391 1160 -222 -197 260 C ATOM 3112 O GLU A 187 -27.426 -5.615 20.561 1.00 10.42 O ANISOU 3112 O GLU A 187 1082 1578 1300 -208 -175 243 O ATOM 3113 CB GLU A 187 -27.714 -8.759 19.405 1.00 11.84 C ANISOU 3113 CB GLU A 187 1261 1673 1564 -264 -233 299 C ATOM 3114 CG GLU A 187 -29.016 -8.535 20.109 1.00 14.26 C ANISOU 3114 CG GLU A 187 1530 2031 1859 -276 -218 322 C ATOM 3115 CD GLU A 187 -29.674 -9.827 20.571 1.00 17.01 C ANISOU 3115 CD GLU A 187 1858 2373 2231 -317 -225 370 C ATOM 3116 OE1 GLU A 187 -29.462 -10.871 19.935 1.00 16.98 O ANISOU 3116 OE1 GLU A 187 1871 2315 2265 -338 -244 374 O ATOM 3117 OE2 GLU A 187 -30.415 -9.791 21.579 1.00 19.82 O ANISOU 3117 OE2 GLU A 187 2182 2779 2569 -329 -207 403 O ATOM 0 H GLU A 187 -25.504 -8.691 18.558 1.00 8.61 H new ATOM 0 HA GLU A 187 -27.393 -6.919 18.468 1.00 8.13 H new ATOM 0 HB2 GLU A 187 -27.886 -9.221 18.569 1.00 11.84 H new ATOM 0 HB3 GLU A 187 -27.163 -9.347 19.946 1.00 11.84 H new ATOM 0 HG2 GLU A 187 -28.868 -7.961 20.877 1.00 14.26 H new ATOM 0 HG3 GLU A 187 -29.622 -8.064 19.516 1.00 14.26 H new ATOM 3124 N SER A 188 -25.945 -7.137 21.276 1.00 7.69 N ANISOU 3124 N SER A 188 746 1217 959 -227 -197 281 N ATOM 3125 CA SER A 188 -25.713 -6.491 22.558 1.00 8.56 C ANISOU 3125 CA SER A 188 844 1383 1024 -225 -175 281 C ATOM 3126 C SER A 188 -24.560 -5.520 22.519 1.00 9.43 C ANISOU 3126 C SER A 188 976 1499 1109 -213 -167 237 C ATOM 3127 O SER A 188 -23.524 -5.790 21.922 1.00 10.07 O ANISOU 3127 O SER A 188 1074 1551 1200 -208 -182 228 O ATOM 3128 CB SER A 188 -25.364 -7.542 23.609 1.00 9.86 C ANISOU 3128 CB SER A 188 993 1573 1178 -238 -180 334 C ATOM 3129 OG SER A 188 -25.093 -6.936 24.879 1.00 10.58 O ANISOU 3129 OG SER A 188 1069 1733 1216 -238 -161 332 O ATOM 0 H SER A 188 -25.485 -7.854 21.158 1.00 7.69 H new ATOM 0 HA SER A 188 -26.529 -6.013 22.772 1.00 8.56 H new ATOM 0 HB2 SER A 188 -26.098 -8.170 23.698 1.00 9.86 H new ATOM 0 HB3 SER A 188 -24.590 -8.049 23.318 1.00 9.86 H new ATOM 0 HG SER A 188 -24.905 -7.532 25.440 1.00 10.58 H new ATOM 3135 N LEU A 189 -24.712 -4.406 23.212 1.00 8.55 N ANISOU 3135 N LEU A 189 862 1426 962 -210 -140 208 N ATOM 3136 CA LEU A 189 -23.636 -3.438 23.412 1.00 10.89 C ANISOU 3136 CA LEU A 189 1176 1734 1228 -210 -127 163 C ATOM 3137 C LEU A 189 -22.973 -3.523 24.792 1.00 9.72 C ANISOU 3137 C LEU A 189 1009 1653 1030 -226 -122 170 C ATOM 3138 O LEU A 189 -22.258 -2.597 25.205 1.00 11.48 O ANISOU 3138 O LEU A 189 1241 1903 1219 -235 -106 125 O ATOM 3139 CB LEU A 189 -24.165 -2.014 23.177 1.00 14.10 C ANISOU 3139 CB LEU A 189 1600 2128 1630 -198 -96 116 C ATOM 3140 CG LEU A 189 -24.705 -1.753 21.770 1.00 15.86 C ANISOU 3140 CG LEU A 189 1839 2294 1892 -178 -100 110 C ATOM 3141 CD1 LEU A 189 -25.093 -0.293 21.595 1.00 21.46 C ANISOU 3141 CD1 LEU A 189 2570 2987 2597 -159 -64 70 C ATOM 3142 CD2 LEU A 189 -23.685 -2.163 20.746 1.00 17.17 C ANISOU 3142 CD2 LEU A 189 2024 2421 2079 -180 -125 106 C ATOM 0 H LEU A 189 -25.453 -4.182 23.588 1.00 8.55 H new ATOM 0 HA LEU A 189 -22.948 -3.659 22.765 1.00 10.89 H new ATOM 0 HB2 LEU A 189 -24.870 -1.835 23.819 1.00 14.10 H new ATOM 0 HB3 LEU A 189 -23.450 -1.383 23.357 1.00 14.10 H new ATOM 0 HG LEU A 189 -25.506 -2.285 21.643 1.00 15.86 H new ATOM 0 HD11 LEU A 189 -25.432 -0.153 20.697 1.00 21.46 H new ATOM 0 HD12 LEU A 189 -25.780 -0.061 22.239 1.00 21.46 H new ATOM 0 HD13 LEU A 189 -24.315 0.268 21.737 1.00 21.46 H new ATOM 0 HD21 LEU A 189 -24.034 -1.995 19.857 1.00 17.17 H new ATOM 0 HD22 LEU A 189 -22.872 -1.651 20.876 1.00 17.17 H new ATOM 0 HD23 LEU A 189 -23.490 -3.108 20.843 1.00 17.17 H new ATOM 3154 N ASP A 190 -23.158 -4.622 25.503 1.00 8.27 N ANISOU 3154 N ASP A 190 800 1501 840 -231 -134 226 N ATOM 3155 CA ASP A 190 -22.415 -4.814 26.745 1.00 8.66 C ANISOU 3155 CA ASP A 190 828 1624 838 -242 -135 242 C ATOM 3156 C ASP A 190 -20.914 -4.812 26.454 1.00 8.13 C ANISOU 3156 C ASP A 190 769 1558 763 -242 -151 225 C ATOM 3157 O ASP A 190 -20.473 -5.330 25.416 1.00 7.67 O ANISOU 3157 O ASP A 190 725 1443 747 -230 -170 233 O ATOM 3158 CB ASP A 190 -22.767 -6.130 27.404 1.00 11.24 C ANISOU 3158 CB ASP A 190 1130 1975 1167 -243 -147 319 C ATOM 3159 CG ASP A 190 -24.195 -6.160 27.980 1.00 14.17 C ANISOU 3159 CG ASP A 190 1481 2370 1533 -250 -127 342 C ATOM 3160 OD1 ASP A 190 -24.819 -5.110 28.103 1.00 17.60 O ANISOU 3160 OD1 ASP A 190 1918 2820 1950 -248 -102 296 O ATOM 3161 OD2 ASP A 190 -24.647 -7.243 28.318 1.00 16.80 O ANISOU 3161 OD2 ASP A 190 1797 2707 1880 -255 -135 407 O ATOM 0 H ASP A 190 -23.696 -5.259 25.294 1.00 8.27 H new ATOM 0 HA ASP A 190 -22.652 -4.087 27.342 1.00 8.66 H new ATOM 0 HB2 ASP A 190 -22.671 -6.845 26.756 1.00 11.24 H new ATOM 0 HB3 ASP A 190 -22.134 -6.307 28.117 1.00 11.24 H new ATOM 3166 N TYR A 191 -20.128 -4.206 27.347 1.00 6.88 N ANISOU 3166 N TYR A 191 797 1106 711 -140 -41 51 N ATOM 3167 CA TYR A 191 -18.725 -3.967 27.074 1.00 5.73 C ANISOU 3167 CA TYR A 191 676 924 576 -118 -56 56 C ATOM 3168 C TYR A 191 -17.835 -3.977 28.295 1.00 6.20 C ANISOU 3168 C TYR A 191 750 990 615 -116 -58 70 C ATOM 3169 O TYR A 191 -18.297 -3.862 29.445 1.00 7.10 O ANISOU 3169 O TYR A 191 855 1143 701 -126 -46 71 O ATOM 3170 CB TYR A 191 -18.566 -2.607 26.360 1.00 7.08 C ANISOU 3170 CB TYR A 191 840 1088 761 -84 -64 26 C ATOM 3171 CG TYR A 191 -18.960 -1.426 27.215 1.00 6.67 C ANISOU 3171 CG TYR A 191 770 1073 692 -69 -59 1 C ATOM 3172 CD1 TYR A 191 -18.061 -0.809 28.077 1.00 6.86 C ANISOU 3172 CD1 TYR A 191 803 1100 705 -55 -64 -2 C ATOM 3173 CD2 TYR A 191 -20.250 -0.918 27.167 1.00 7.20 C ANISOU 3173 CD2 TYR A 191 810 1173 755 -65 -52 -23 C ATOM 3174 CE1 TYR A 191 -18.444 0.239 28.863 1.00 7.47 C ANISOU 3174 CE1 TYR A 191 864 1209 766 -39 -61 -28 C ATOM 3175 CE2 TYR A 191 -20.622 0.163 27.929 1.00 7.44 C ANISOU 3175 CE2 TYR A 191 822 1236 770 -46 -50 -51 C ATOM 3176 CZ TYR A 191 -19.729 0.726 28.807 1.00 7.93 C ANISOU 3176 CZ TYR A 191 895 1298 819 -34 -54 -53 C ATOM 3177 OH TYR A 191 -20.100 1.794 29.601 1.00 9.03 O ANISOU 3177 OH TYR A 191 1018 1471 943 -13 -54 -85 O ATOM 0 H TYR A 191 -20.395 -3.928 28.116 1.00 6.88 H new ATOM 0 HA TYR A 191 -18.437 -4.707 26.517 1.00 5.73 H new ATOM 0 HB2 TYR A 191 -17.643 -2.502 26.082 1.00 7.08 H new ATOM 0 HB3 TYR A 191 -19.106 -2.608 25.554 1.00 7.08 H new ATOM 0 HD1 TYR A 191 -17.184 -1.115 28.119 1.00 6.86 H new ATOM 0 HD2 TYR A 191 -20.876 -1.318 26.607 1.00 7.20 H new ATOM 0 HE1 TYR A 191 -17.829 0.628 29.443 1.00 7.47 H new ATOM 0 HE2 TYR A 191 -21.480 0.514 27.850 1.00 7.44 H new ATOM 0 HH TYR A 191 -20.938 1.852 29.619 1.00 9.03 H new ATOM 3187 N TRP A 192 -16.552 -4.134 28.019 1.00 5.50 N ANISOU 3187 N TRP A 192 683 867 540 -104 -72 79 N ATOM 3188 CA TRP A 192 -15.477 -3.862 28.957 1.00 6.24 C ANISOU 3188 CA TRP A 192 789 963 621 -92 -81 82 C ATOM 3189 C TRP A 192 -14.775 -2.582 28.553 1.00 5.41 C ANISOU 3189 C TRP A 192 677 847 530 -63 -88 56 C ATOM 3190 O TRP A 192 -14.731 -2.248 27.367 1.00 6.62 O ANISOU 3190 O TRP A 192 829 978 707 -54 -90 46 O ATOM 3191 CB TRP A 192 -14.439 -4.980 28.958 1.00 6.42 C ANISOU 3191 CB TRP A 192 836 952 650 -96 -95 108 C ATOM 3192 CG TRP A 192 -14.942 -6.318 29.403 1.00 6.69 C ANISOU 3192 CG TRP A 192 886 985 672 -125 -93 139 C ATOM 3193 CD1 TRP A 192 -15.169 -6.725 30.673 1.00 7.72 C ANISOU 3193 CD1 TRP A 192 1024 1139 769 -142 -88 160 C ATOM 3194 CD2 TRP A 192 -15.187 -7.457 28.566 1.00 7.08 C ANISOU 3194 CD2 TRP A 192 946 1002 740 -141 -98 156 C ATOM 3195 NE1 TRP A 192 -15.561 -8.033 30.674 1.00 8.68 N ANISOU 3195 NE1 TRP A 192 1165 1244 890 -171 -89 190 N ATOM 3196 CE2 TRP A 192 -15.560 -8.509 29.389 1.00 8.44 C ANISOU 3196 CE2 TRP A 192 1135 1178 893 -170 -96 187 C ATOM 3197 CE3 TRP A 192 -15.100 -7.672 27.191 1.00 7.24 C ANISOU 3197 CE3 TRP A 192 967 993 791 -134 -104 146 C ATOM 3198 CZ2 TRP A 192 -15.885 -9.770 28.873 1.00 9.38 C ANISOU 3198 CZ2 TRP A 192 1271 1266 1028 -194 -103 208 C ATOM 3199 CZ3 TRP A 192 -15.397 -8.889 26.699 1.00 9.07 C ANISOU 3199 CZ3 TRP A 192 1212 1199 1036 -153 -111 163 C ATOM 3200 CH2 TRP A 192 -15.778 -9.928 27.527 1.00 10.28 C ANISOU 3200 CH2 TRP A 192 1382 1351 1174 -183 -111 193 C ATOM 0 H TRP A 192 -16.273 -4.411 27.254 1.00 5.50 H new ATOM 0 HA TRP A 192 -15.869 -3.789 29.841 1.00 6.24 H new ATOM 0 HB2 TRP A 192 -14.079 -5.068 28.062 1.00 6.42 H new ATOM 0 HB3 TRP A 192 -13.704 -4.719 29.535 1.00 6.42 H new ATOM 0 HD1 TRP A 192 -15.073 -6.194 31.431 1.00 7.72 H new ATOM 0 HE1 TRP A 192 -15.775 -8.487 31.372 1.00 8.68 H new ATOM 0 HE3 TRP A 192 -14.840 -6.984 26.622 1.00 7.24 H new ATOM 0 HZ2 TRP A 192 -16.161 -10.466 29.425 1.00 9.38 H new ATOM 0 HZ3 TRP A 192 -15.345 -9.034 25.782 1.00 9.07 H new ATOM 0 HH2 TRP A 192 -15.966 -10.758 27.153 1.00 10.28 H new ATOM 3211 N THR A 193 -14.197 -1.856 29.502 1.00 5.43 N ANISOU 3211 N THR A 193 678 865 519 -51 -93 45 N ATOM 3212 CA THR A 193 -13.498 -0.631 29.182 1.00 5.47 C ANISOU 3212 CA THR A 193 679 857 540 -29 -102 21 C ATOM 3213 C THR A 193 -12.270 -0.452 30.055 1.00 5.03 C ANISOU 3213 C THR A 193 632 801 480 -19 -115 20 C ATOM 3214 O THR A 193 -12.235 -0.839 31.226 1.00 5.93 O ANISOU 3214 O THR A 193 750 937 566 -23 -117 28 O ATOM 3215 CB THR A 193 -14.446 0.585 29.268 1.00 5.47 C ANISOU 3215 CB THR A 193 662 881 536 -17 -96 -8 C ATOM 3216 OG1 THR A 193 -13.763 1.769 28.852 1.00 5.96 O ANISOU 3216 OG1 THR A 193 725 921 616 2 -107 -28 O ATOM 3217 CG2 THR A 193 -15.005 0.790 30.655 1.00 7.20 C ANISOU 3217 CG2 THR A 193 871 1144 721 -17 -90 -17 C ATOM 0 H THR A 193 -14.201 -2.060 30.337 1.00 5.43 H new ATOM 0 HA THR A 193 -13.188 -0.694 28.265 1.00 5.47 H new ATOM 0 HB THR A 193 -15.192 0.402 28.676 1.00 5.47 H new ATOM 0 HG1 THR A 193 -13.340 1.614 28.143 1.00 5.96 H new ATOM 0 HG21 THR A 193 -15.592 1.562 30.657 1.00 7.20 H new ATOM 0 HG22 THR A 193 -15.506 0.003 30.922 1.00 7.20 H new ATOM 0 HG23 THR A 193 -14.277 0.936 31.279 1.00 7.20 H new ATOM 3225 N TYR A 194 -11.236 0.141 29.473 1.00 5.25 N ANISOU 3225 N TYR A 194 660 803 532 -7 -124 9 N ATOM 3226 CA TYR A 194 -10.009 0.435 30.178 1.00 5.39 C ANISOU 3226 CA TYR A 194 679 818 551 2 -139 1 C ATOM 3227 C TYR A 194 -9.235 1.470 29.384 1.00 5.46 C ANISOU 3227 C TYR A 194 682 803 590 10 -143 -18 C ATOM 3228 O TYR A 194 -9.459 1.654 28.189 1.00 5.57 O ANISOU 3228 O TYR A 194 696 797 622 8 -135 -17 O ATOM 3229 CB TYR A 194 -9.171 -0.853 30.362 1.00 5.66 C ANISOU 3229 CB TYR A 194 725 840 584 -1 -149 24 C ATOM 3230 CG TYR A 194 -8.462 -1.309 29.110 1.00 5.52 C ANISOU 3230 CG TYR A 194 710 790 597 -1 -150 29 C ATOM 3231 CD1 TYR A 194 -9.137 -2.044 28.130 1.00 5.21 C ANISOU 3231 CD1 TYR A 194 676 738 565 -11 -140 43 C ATOM 3232 CD2 TYR A 194 -7.152 -0.951 28.875 1.00 5.84 C ANISOU 3232 CD2 TYR A 194 743 816 659 9 -160 17 C ATOM 3233 CE1 TYR A 194 -8.513 -2.392 26.954 1.00 4.48 C ANISOU 3233 CE1 TYR A 194 586 620 498 -8 -140 44 C ATOM 3234 CE2 TYR A 194 -6.505 -1.314 27.703 1.00 5.66 C ANISOU 3234 CE2 TYR A 194 719 771 662 9 -157 18 C ATOM 3235 CZ TYR A 194 -7.186 -2.022 26.742 1.00 5.20 C ANISOU 3235 CZ TYR A 194 668 700 606 2 -147 31 C ATOM 3236 OH TYR A 194 -6.524 -2.310 25.585 1.00 5.46 O ANISOU 3236 OH TYR A 194 699 714 660 5 -143 29 O ATOM 0 H TYR A 194 -11.232 0.385 28.648 1.00 5.25 H new ATOM 0 HA TYR A 194 -10.210 0.784 31.060 1.00 5.39 H new ATOM 0 HB2 TYR A 194 -8.513 -0.703 31.059 1.00 5.66 H new ATOM 0 HB3 TYR A 194 -9.753 -1.565 30.670 1.00 5.66 H new ATOM 0 HD1 TYR A 194 -10.019 -2.301 28.275 1.00 5.21 H new ATOM 0 HD2 TYR A 194 -6.693 -0.456 29.515 1.00 5.84 H new ATOM 0 HE1 TYR A 194 -8.974 -2.871 26.304 1.00 4.48 H new ATOM 0 HE2 TYR A 194 -5.615 -1.080 27.568 1.00 5.66 H new ATOM 0 HH TYR A 194 -5.956 -1.710 25.430 1.00 5.46 H new ATOM 3246 N PRO A 195 -8.304 2.160 30.045 1.00 5.36 N ANISOU 3246 N PRO A 195 664 792 581 19 -156 -35 N ATOM 3247 CA PRO A 195 -7.457 3.138 29.349 1.00 5.26 C ANISOU 3247 CA PRO A 195 645 754 598 20 -160 -51 C ATOM 3248 C PRO A 195 -6.263 2.476 28.690 1.00 5.50 C ANISOU 3248 C PRO A 195 674 766 650 16 -161 -42 C ATOM 3249 O PRO A 195 -5.542 1.728 29.335 1.00 5.98 O ANISOU 3249 O PRO A 195 733 834 706 20 -173 -37 O ATOM 3250 CB PRO A 195 -6.992 4.067 30.477 1.00 6.65 C ANISOU 3250 CB PRO A 195 815 943 770 29 -176 -76 C ATOM 3251 CG PRO A 195 -6.987 3.195 31.693 1.00 7.70 C ANISOU 3251 CG PRO A 195 951 1103 872 34 -184 -68 C ATOM 3252 CD PRO A 195 -8.109 2.209 31.507 1.00 7.06 C ANISOU 3252 CD PRO A 195 878 1032 771 26 -169 -43 C ATOM 0 HA PRO A 195 -7.930 3.595 28.636 1.00 5.26 H new ATOM 0 HB2 PRO A 195 -6.110 4.429 30.297 1.00 6.65 H new ATOM 0 HB3 PRO A 195 -7.592 4.822 30.585 1.00 6.65 H new ATOM 0 HG2 PRO A 195 -6.137 2.738 31.788 1.00 7.70 H new ATOM 0 HG3 PRO A 195 -7.118 3.721 32.497 1.00 7.70 H new ATOM 0 HD2 PRO A 195 -7.878 1.337 31.864 1.00 7.06 H new ATOM 0 HD3 PRO A 195 -8.915 2.498 31.963 1.00 7.06 H new ATOM 3260 N GLY A 196 -6.039 2.779 27.433 1.00 5.29 N ANISOU 3260 N GLY A 196 647 717 645 9 -150 -41 N ATOM 3261 CA GLY A 196 -4.946 2.194 26.695 1.00 5.18 C ANISOU 3261 CA GLY A 196 627 691 651 6 -148 -36 C ATOM 3262 C GLY A 196 -4.394 3.076 25.595 1.00 4.73 C ANISOU 3262 C GLY A 196 566 614 618 -4 -136 -43 C ATOM 3263 O GLY A 196 -4.289 4.302 25.737 1.00 5.20 O ANISOU 3263 O GLY A 196 623 667 686 -9 -139 -57 O ATOM 0 H GLY A 196 -6.517 3.332 26.980 1.00 5.29 H new ATOM 0 HA2 GLY A 196 -4.230 1.980 27.313 1.00 5.18 H new ATOM 0 HA3 GLY A 196 -5.244 1.357 26.305 1.00 5.18 H new ATOM 3267 N SER A 197 -3.981 2.438 24.515 1.00 4.84 N ANISOU 3267 N SER A 197 579 620 641 -8 -125 -34 N ATOM 3268 CA SER A 197 -3.152 3.053 23.491 1.00 4.51 C ANISOU 3268 CA SER A 197 530 565 619 -21 -111 -38 C ATOM 3269 C SER A 197 -3.589 2.635 22.108 1.00 4.66 C ANISOU 3269 C SER A 197 561 575 635 -24 -94 -24 C ATOM 3270 O SER A 197 -4.373 1.699 21.911 1.00 5.12 O ANISOU 3270 O SER A 197 629 636 680 -15 -94 -14 O ATOM 3271 CB SER A 197 -1.667 2.636 23.678 1.00 5.51 C ANISOU 3271 CB SER A 197 632 698 762 -21 -115 -50 C ATOM 3272 OG SER A 197 -1.422 1.317 23.251 1.00 5.13 O ANISOU 3272 OG SER A 197 582 655 712 -10 -114 -43 O ATOM 0 H SER A 197 -4.178 1.617 24.351 1.00 4.84 H new ATOM 0 HA SER A 197 -3.247 4.014 23.582 1.00 4.51 H new ATOM 0 HB2 SER A 197 -1.098 3.245 23.182 1.00 5.51 H new ATOM 0 HB3 SER A 197 -1.425 2.721 24.614 1.00 5.51 H new ATOM 0 HG SER A 197 -1.310 1.308 22.419 1.00 5.13 H new ATOM 3278 N LEU A 198 -3.043 3.319 21.118 1.00 5.05 N ANISOU 3278 N LEU A 198 609 614 695 -37 -78 -25 N ATOM 3279 CA LEU A 198 -3.030 2.773 19.779 1.00 4.79 C ANISOU 3279 CA LEU A 198 583 578 658 -39 -60 -16 C ATOM 3280 C LEU A 198 -2.287 1.448 19.792 1.00 4.58 C ANISOU 3280 C LEU A 198 540 564 635 -28 -63 -21 C ATOM 3281 O LEU A 198 -1.320 1.258 20.547 1.00 5.65 O ANISOU 3281 O LEU A 198 655 709 783 -25 -72 -33 O ATOM 3282 CB LEU A 198 -2.270 3.717 18.836 1.00 5.85 C ANISOU 3282 CB LEU A 198 715 704 802 -60 -41 -15 C ATOM 3283 CG LEU A 198 -2.677 5.193 18.795 1.00 7.44 C ANISOU 3283 CG LEU A 198 934 886 1006 -73 -41 -11 C ATOM 3284 CD1 LEU A 198 -1.821 5.931 17.787 1.00 7.92 C ANISOU 3284 CD1 LEU A 198 995 939 1075 -99 -19 -6 C ATOM 3285 CD2 LEU A 198 -4.138 5.359 18.484 1.00 8.82 C ANISOU 3285 CD2 LEU A 198 1136 1051 1164 -62 -48 -1 C ATOM 0 H LEU A 198 -2.678 4.094 21.200 1.00 5.05 H new ATOM 0 HA LEU A 198 -3.945 2.660 19.478 1.00 4.79 H new ATOM 0 HB2 LEU A 198 -1.330 3.677 19.073 1.00 5.85 H new ATOM 0 HB3 LEU A 198 -2.351 3.364 17.936 1.00 5.85 H new ATOM 0 HG LEU A 198 -2.530 5.574 19.675 1.00 7.44 H new ATOM 0 HD11 LEU A 198 -2.081 6.865 17.763 1.00 7.92 H new ATOM 0 HD12 LEU A 198 -0.888 5.862 18.043 1.00 7.92 H new ATOM 0 HD13 LEU A 198 -1.945 5.539 16.908 1.00 7.92 H new ATOM 0 HD21 LEU A 198 -4.360 6.303 18.466 1.00 8.82 H new ATOM 0 HD22 LEU A 198 -4.332 4.965 17.619 1.00 8.82 H new ATOM 0 HD23 LEU A 198 -4.667 4.916 19.166 1.00 8.82 H new ATOM 3297 N THR A 199 -2.701 0.517 18.929 1.00 5.09 N ANISOU 3297 N THR A 199 614 627 690 -20 -57 -13 N ATOM 3298 CA THR A 199 -2.052 -0.790 18.869 1.00 5.72 C ANISOU 3298 CA THR A 199 683 715 775 -6 -62 -20 C ATOM 3299 C THR A 199 -1.056 -0.903 17.711 1.00 5.51 C ANISOU 3299 C THR A 199 642 696 755 -8 -42 -31 C ATOM 3300 O THR A 199 -0.469 -1.953 17.522 1.00 6.07 O ANISOU 3300 O THR A 199 702 774 831 7 -47 -41 O ATOM 3301 CB THR A 199 -3.049 -1.931 18.800 1.00 4.86 C ANISOU 3301 CB THR A 199 593 600 655 7 -74 -10 C ATOM 3302 OG1 THR A 199 -3.737 -1.814 17.555 1.00 5.55 O ANISOU 3302 OG1 THR A 199 695 682 733 3 -59 -4 O ATOM 3303 CG2 THR A 199 -4.036 -1.909 19.972 1.00 5.97 C ANISOU 3303 CG2 THR A 199 744 738 786 6 -90 0 C ATOM 0 H THR A 199 -3.350 0.623 18.375 1.00 5.09 H new ATOM 0 HA THR A 199 -1.558 -0.865 19.701 1.00 5.72 H new ATOM 0 HB THR A 199 -2.581 -2.778 18.862 1.00 4.86 H new ATOM 0 HG1 THR A 199 -4.213 -2.495 17.432 1.00 5.55 H new ATOM 0 HG21 THR A 199 -4.653 -2.653 19.889 1.00 5.97 H new ATOM 0 HG22 THR A 199 -3.549 -1.985 20.807 1.00 5.97 H new ATOM 0 HG23 THR A 199 -4.532 -1.075 19.962 1.00 5.97 H new ATOM 3311 N THR A 200 -0.887 0.185 16.969 1.00 5.59 N ANISOU 3311 N THR A 200 654 706 765 -28 -21 -27 N ATOM 3312 CA THR A 200 0.159 0.302 15.966 1.00 6.59 C ANISOU 3312 CA THR A 200 763 845 894 -37 4 -36 C ATOM 3313 C THR A 200 0.983 1.530 16.282 1.00 6.88 C ANISOU 3313 C THR A 200 783 884 946 -62 14 -41 C ATOM 3314 O THR A 200 0.485 2.472 16.892 1.00 6.33 O ANISOU 3314 O THR A 200 726 799 878 -73 5 -33 O ATOM 3315 CB THR A 200 -0.429 0.447 14.558 1.00 8.01 C ANISOU 3315 CB THR A 200 967 1023 1054 -43 24 -24 C ATOM 3316 OG1 THR A 200 -1.449 1.480 14.544 1.00 11.29 O ANISOU 3316 OG1 THR A 200 1411 1419 1460 -54 22 -6 O ATOM 3317 CG2 THR A 200 -1.082 -0.818 14.103 1.00 8.11 C ANISOU 3317 CG2 THR A 200 991 1034 1054 -19 15 -25 C ATOM 0 H THR A 200 -1.384 0.884 17.036 1.00 5.59 H new ATOM 0 HA THR A 200 0.702 -0.502 15.985 1.00 6.59 H new ATOM 0 HB THR A 200 0.308 0.671 13.968 1.00 8.01 H new ATOM 0 HG1 THR A 200 -1.101 2.215 14.331 1.00 11.29 H new ATOM 0 HG21 THR A 200 -1.443 -0.694 13.211 1.00 8.11 H new ATOM 0 HG22 THR A 200 -0.427 -1.534 14.089 1.00 8.11 H new ATOM 0 HG23 THR A 200 -1.800 -1.049 14.713 1.00 8.11 H new ATOM 3325 N PRO A 201 2.250 1.543 15.847 1.00 6.84 N ANISOU 3325 N PRO A 201 748 898 952 -73 33 -56 N ATOM 3326 CA PRO A 201 3.036 2.769 15.946 1.00 7.20 C ANISOU 3326 CA PRO A 201 777 945 1013 -105 47 -59 C ATOM 3327 C PRO A 201 2.228 3.942 15.410 1.00 8.46 C ANISOU 3327 C PRO A 201 972 1081 1160 -127 58 -34 C ATOM 3328 O PRO A 201 1.574 3.817 14.376 1.00 10.06 O ANISOU 3328 O PRO A 201 1202 1279 1341 -125 71 -18 O ATOM 3329 CB PRO A 201 4.245 2.458 15.076 1.00 9.28 C ANISOU 3329 CB PRO A 201 1008 1236 1281 -114 76 -74 C ATOM 3330 CG PRO A 201 4.434 1.016 15.308 1.00 9.24 C ANISOU 3330 CG PRO A 201 988 1246 1278 -77 59 -93 C ATOM 3331 CD PRO A 201 3.040 0.456 15.256 1.00 7.66 C ANISOU 3331 CD PRO A 201 828 1025 1058 -57 42 -74 C ATOM 0 HA PRO A 201 3.286 3.018 16.849 1.00 7.20 H new ATOM 0 HB2 PRO A 201 4.079 2.656 14.141 1.00 9.28 H new ATOM 0 HB3 PRO A 201 5.024 2.972 15.341 1.00 9.28 H new ATOM 0 HG2 PRO A 201 5.002 0.618 14.630 1.00 9.24 H new ATOM 0 HG3 PRO A 201 4.854 0.846 16.166 1.00 9.24 H new ATOM 0 HD2 PRO A 201 2.762 0.258 14.348 1.00 7.66 H new ATOM 0 HD3 PRO A 201 2.961 -0.367 15.763 1.00 7.66 H new ATOM 3339 N PRO A 202 2.266 5.081 16.095 1.00 7.19 N ANISOU 3339 N PRO A 202 814 903 1014 -146 50 -32 N ATOM 3340 CA PRO A 202 3.172 5.451 17.189 1.00 7.24 C ANISOU 3340 CA PRO A 202 789 914 1047 -155 37 -53 C ATOM 3341 C PRO A 202 2.777 5.025 18.611 1.00 6.88 C ANISOU 3341 C PRO A 202 740 868 1006 -128 1 -64 C ATOM 3342 O PRO A 202 3.420 5.479 19.553 1.00 7.14 O ANISOU 3342 O PRO A 202 751 902 1058 -134 -13 -81 O ATOM 3343 CB PRO A 202 3.248 6.974 17.042 1.00 9.87 C ANISOU 3343 CB PRO A 202 1136 1224 1390 -191 45 -42 C ATOM 3344 CG PRO A 202 1.950 7.350 16.526 1.00 11.66 C ANISOU 3344 CG PRO A 202 1408 1426 1595 -185 42 -18 C ATOM 3345 CD PRO A 202 1.545 6.257 15.580 1.00 10.08 C ANISOU 3345 CD PRO A 202 1217 1241 1370 -166 55 -10 C ATOM 0 HA PRO A 202 4.014 4.977 17.103 1.00 7.24 H new ATOM 0 HB2 PRO A 202 3.428 7.403 17.893 1.00 9.87 H new ATOM 0 HB3 PRO A 202 3.959 7.236 16.436 1.00 9.87 H new ATOM 0 HG2 PRO A 202 1.305 7.443 17.244 1.00 11.66 H new ATOM 0 HG3 PRO A 202 1.993 8.205 16.070 1.00 11.66 H new ATOM 0 HD2 PRO A 202 0.585 6.118 15.583 1.00 10.08 H new ATOM 0 HD3 PRO A 202 1.799 6.461 14.667 1.00 10.08 H new ATOM 3353 N LEU A 203 1.758 4.178 18.769 1.00 6.43 N ANISOU 3353 N LEU A 203 704 809 930 -100 -13 -55 N ATOM 3354 CA LEU A 203 1.484 3.541 20.066 1.00 5.88 C ANISOU 3354 CA LEU A 203 630 743 859 -76 -42 -64 C ATOM 3355 C LEU A 203 1.088 4.535 21.156 1.00 5.43 C ANISOU 3355 C LEU A 203 581 675 806 -80 -61 -67 C ATOM 3356 O LEU A 203 1.277 4.314 22.332 1.00 5.83 O ANISOU 3356 O LEU A 203 621 734 859 -67 -84 -80 O ATOM 3357 CB LEU A 203 2.653 2.660 20.508 1.00 6.21 C ANISOU 3357 CB LEU A 203 638 807 915 -63 -51 -84 C ATOM 3358 CG LEU A 203 2.979 1.502 19.551 1.00 5.37 C ANISOU 3358 CG LEU A 203 524 712 804 -49 -39 -86 C ATOM 3359 CD1 LEU A 203 4.278 0.836 20.030 1.00 7.73 C ANISOU 3359 CD1 LEU A 203 785 1032 1122 -35 -51 -113 C ATOM 3360 CD2 LEU A 203 1.858 0.493 19.452 1.00 7.23 C ANISOU 3360 CD2 LEU A 203 789 939 1020 -27 -49 -71 C ATOM 0 H LEU A 203 1.213 3.958 18.141 1.00 6.43 H new ATOM 0 HA LEU A 203 0.710 2.973 19.931 1.00 5.88 H new ATOM 0 HB2 LEU A 203 3.442 3.215 20.606 1.00 6.21 H new ATOM 0 HB3 LEU A 203 2.454 2.294 21.384 1.00 6.21 H new ATOM 0 HG LEU A 203 3.090 1.860 18.656 1.00 5.37 H new ATOM 0 HD11 LEU A 203 4.502 0.101 19.438 1.00 7.73 H new ATOM 0 HD12 LEU A 203 4.997 1.487 20.023 1.00 7.73 H new ATOM 0 HD13 LEU A 203 4.156 0.499 20.931 1.00 7.73 H new ATOM 0 HD21 LEU A 203 2.112 -0.214 18.839 1.00 7.23 H new ATOM 0 HD22 LEU A 203 1.685 0.114 20.328 1.00 7.23 H new ATOM 0 HD23 LEU A 203 1.056 0.931 19.126 1.00 7.23 H new ATOM 3372 N LEU A 204 0.530 5.663 20.738 1.00 6.06 N ANISOU 3372 N LEU A 204 683 735 885 -97 -54 -58 N ATOM 3373 CA LEU A 204 0.218 6.753 21.646 1.00 6.75 C ANISOU 3373 CA LEU A 204 777 808 979 -101 -71 -66 C ATOM 3374 C LEU A 204 -0.845 6.347 22.648 1.00 5.68 C ANISOU 3374 C LEU A 204 655 680 825 -75 -93 -66 C ATOM 3375 O LEU A 204 -1.804 5.647 22.331 1.00 5.76 O ANISOU 3375 O LEU A 204 680 692 816 -61 -90 -53 O ATOM 3376 CB LEU A 204 -0.245 7.979 20.865 1.00 7.01 C ANISOU 3376 CB LEU A 204 836 813 1013 -121 -61 -53 C ATOM 3377 CG LEU A 204 0.812 8.560 19.927 1.00 8.64 C ANISOU 3377 CG LEU A 204 1034 1013 1237 -154 -37 -49 C ATOM 3378 CD1 LEU A 204 0.226 9.644 19.034 1.00 9.76 C ANISOU 3378 CD1 LEU A 204 1211 1123 1373 -172 -28 -29 C ATOM 3379 CD2 LEU A 204 1.993 9.134 20.684 1.00 12.03 C ANISOU 3379 CD2 LEU A 204 1432 1445 1695 -174 -45 -71 C ATOM 0 H LEU A 204 0.322 5.817 19.918 1.00 6.06 H new ATOM 0 HA LEU A 204 1.027 6.973 22.134 1.00 6.75 H new ATOM 0 HB2 LEU A 204 -1.029 7.742 20.345 1.00 7.01 H new ATOM 0 HB3 LEU A 204 -0.518 8.666 21.493 1.00 7.01 H new ATOM 0 HG LEU A 204 1.121 7.821 19.380 1.00 8.64 H new ATOM 0 HD11 LEU A 204 0.919 9.993 18.451 1.00 9.76 H new ATOM 0 HD12 LEU A 204 -0.489 9.269 18.497 1.00 9.76 H new ATOM 0 HD13 LEU A 204 -0.125 10.362 19.584 1.00 9.76 H new ATOM 0 HD21 LEU A 204 2.639 9.491 20.054 1.00 12.03 H new ATOM 0 HD22 LEU A 204 1.688 9.843 21.271 1.00 12.03 H new ATOM 0 HD23 LEU A 204 2.410 8.435 21.212 1.00 12.03 H new ATOM 3391 N GLU A 205 -0.653 6.813 23.866 1.00 5.89 N ANISOU 3391 N GLU A 205 671 709 857 -70 -114 -84 N ATOM 3392 CA GLU A 205 -1.489 6.435 24.998 1.00 5.99 C ANISOU 3392 CA GLU A 205 692 736 850 -48 -133 -88 C ATOM 3393 C GLU A 205 -2.681 7.380 25.153 1.00 5.89 C ANISOU 3393 C GLU A 205 700 710 827 -43 -139 -89 C ATOM 3394 O GLU A 205 -2.802 8.133 26.118 1.00 7.68 O ANISOU 3394 O GLU A 205 926 938 1054 -38 -156 -107 O ATOM 3395 CB GLU A 205 -0.642 6.315 26.266 1.00 7.38 C ANISOU 3395 CB GLU A 205 846 928 1030 -40 -155 -109 C ATOM 3396 CG GLU A 205 0.313 5.125 26.121 1.00 6.71 C ANISOU 3396 CG GLU A 205 741 857 950 -35 -154 -107 C ATOM 3397 CD GLU A 205 1.213 4.854 27.311 1.00 7.64 C ANISOU 3397 CD GLU A 205 839 993 1072 -23 -179 -127 C ATOM 3398 OE1 GLU A 205 1.552 5.812 28.040 1.00 10.29 O ANISOU 3398 OE1 GLU A 205 1165 1327 1417 -28 -193 -148 O ATOM 3399 OE2 GLU A 205 1.617 3.699 27.475 1.00 7.63 O ANISOU 3399 OE2 GLU A 205 830 1003 1065 -7 -186 -124 O ATOM 0 H GLU A 205 -0.026 7.366 24.067 1.00 5.89 H new ATOM 0 HA GLU A 205 -1.870 5.559 24.830 1.00 5.99 H new ATOM 0 HB2 GLU A 205 -0.139 7.132 26.411 1.00 7.38 H new ATOM 0 HB3 GLU A 205 -1.214 6.193 27.040 1.00 7.38 H new ATOM 0 HG2 GLU A 205 -0.213 4.329 25.947 1.00 6.71 H new ATOM 0 HG3 GLU A 205 0.871 5.273 25.342 1.00 6.71 H new ATOM 3406 N CYS A 206 -3.566 7.324 24.173 1.00 5.29 N ANISOU 3406 N CYS A 206 644 624 742 -43 -126 -72 N ATOM 3407 CA CYS A 206 -4.623 8.314 23.989 1.00 4.91 C ANISOU 3407 CA CYS A 206 617 559 689 -39 -131 -73 C ATOM 3408 C CYS A 206 -5.989 7.678 23.844 1.00 5.14 C ANISOU 3408 C CYS A 206 657 601 696 -22 -129 -63 C ATOM 3409 O CYS A 206 -6.925 8.387 23.500 1.00 6.11 O ANISOU 3409 O CYS A 206 796 711 814 -15 -133 -65 O ATOM 3410 CB CYS A 206 -4.311 9.143 22.752 1.00 5.95 C ANISOU 3410 CB CYS A 206 763 661 836 -58 -119 -62 C ATOM 3411 SG CYS A 206 -4.278 8.182 21.200 1.00 6.80 S ANISOU 3411 SG CYS A 206 879 771 935 -65 -93 -36 S ATOM 0 H CYS A 206 -3.573 6.699 23.582 1.00 5.29 H new ATOM 0 HA CYS A 206 -4.650 8.874 24.781 1.00 4.91 H new ATOM 0 HB2 CYS A 206 -4.973 9.847 22.671 1.00 5.95 H new ATOM 0 HB3 CYS A 206 -3.451 9.575 22.872 1.00 5.95 H new ATOM 0 HG CYS A 206 -3.514 7.263 21.314 1.00 6.80 H new ATOM 3417 N VAL A 207 -6.129 6.380 24.137 1.00 5.07 N ANISOU 3417 N VAL A 207 640 615 673 -15 -126 -55 N ATOM 3418 CA VAL A 207 -7.365 5.669 23.810 1.00 5.10 C ANISOU 3418 CA VAL A 207 652 628 658 -6 -121 -44 C ATOM 3419 C VAL A 207 -8.149 5.225 25.020 1.00 5.06 C ANISOU 3419 C VAL A 207 640 649 632 6 -129 -49 C ATOM 3420 O VAL A 207 -7.599 4.569 25.907 1.00 5.96 O ANISOU 3420 O VAL A 207 745 779 740 6 -134 -49 O ATOM 3421 CB VAL A 207 -7.074 4.420 22.950 1.00 5.46 C ANISOU 3421 CB VAL A 207 697 674 702 -10 -108 -26 C ATOM 3422 CG1 VAL A 207 -8.343 3.690 22.592 1.00 4.92 C ANISOU 3422 CG1 VAL A 207 637 613 618 -4 -106 -16 C ATOM 3423 CG2 VAL A 207 -6.325 4.809 21.678 1.00 5.71 C ANISOU 3423 CG2 VAL A 207 735 687 749 -22 -95 -20 C ATOM 0 H VAL A 207 -5.527 5.900 24.520 1.00 5.07 H new ATOM 0 HA VAL A 207 -7.901 6.313 23.321 1.00 5.10 H new ATOM 0 HB VAL A 207 -6.519 3.825 23.478 1.00 5.46 H new ATOM 0 HG11 VAL A 207 -8.128 2.912 22.053 1.00 4.92 H new ATOM 0 HG12 VAL A 207 -8.793 3.407 23.403 1.00 4.92 H new ATOM 0 HG13 VAL A 207 -8.925 4.281 22.089 1.00 4.92 H new ATOM 0 HG21 VAL A 207 -6.150 4.015 21.150 1.00 5.71 H new ATOM 0 HG22 VAL A 207 -6.864 5.428 21.161 1.00 5.71 H new ATOM 0 HG23 VAL A 207 -5.484 5.232 21.914 1.00 5.71 H new ATOM 3433 N THR A 208 -9.446 5.539 25.053 1.00 4.78 N ANISOU 3433 N THR A 208 610 622 585 15 -131 -54 N ATOM 3434 CA THR A 208 -10.378 4.818 25.922 1.00 4.63 C ANISOU 3434 CA THR A 208 583 633 542 20 -130 -54 C ATOM 3435 C THR A 208 -10.902 3.643 25.118 1.00 4.64 C ANISOU 3435 C THR A 208 587 635 539 13 -120 -34 C ATOM 3436 O THR A 208 -11.569 3.827 24.091 1.00 5.14 O ANISOU 3436 O THR A 208 657 687 606 16 -116 -32 O ATOM 3437 CB THR A 208 -11.548 5.676 26.366 1.00 5.62 C ANISOU 3437 CB THR A 208 705 773 657 34 -136 -74 C ATOM 3438 OG1 THR A 208 -11.058 6.807 27.088 1.00 6.27 O ANISOU 3438 OG1 THR A 208 786 851 745 42 -149 -97 O ATOM 3439 CG2 THR A 208 -12.502 4.866 27.233 1.00 5.94 C ANISOU 3439 CG2 THR A 208 734 852 671 34 -130 -72 C ATOM 0 H THR A 208 -9.804 6.163 24.582 1.00 4.78 H new ATOM 0 HA THR A 208 -9.913 4.543 26.728 1.00 4.63 H new ATOM 0 HB THR A 208 -12.035 5.981 25.585 1.00 5.62 H new ATOM 0 HG1 THR A 208 -10.985 7.462 26.567 1.00 6.27 H new ATOM 0 HG21 THR A 208 -13.244 5.427 27.509 1.00 5.94 H new ATOM 0 HG22 THR A 208 -12.839 4.111 26.726 1.00 5.94 H new ATOM 0 HG23 THR A 208 -12.032 4.543 28.018 1.00 5.94 H new ATOM 3447 N TRP A 209 -10.558 2.430 25.535 1.00 4.51 N ANISOU 3447 N TRP A 209 570 629 516 6 -118 -19 N ATOM 3448 CA TRP A 209 -10.986 1.220 24.856 1.00 4.49 C ANISOU 3448 CA TRP A 209 572 623 512 -1 -111 -1 C ATOM 3449 C TRP A 209 -12.350 0.801 25.357 1.00 4.36 C ANISOU 3449 C TRP A 209 549 630 476 -6 -107 1 C ATOM 3450 O TRP A 209 -12.575 0.758 26.556 1.00 5.51 O ANISOU 3450 O TRP A 209 690 801 604 -7 -108 -1 O ATOM 3451 CB TRP A 209 -9.965 0.090 25.064 1.00 4.80 C ANISOU 3451 CB TRP A 209 614 655 554 -6 -115 13 C ATOM 3452 CG TRP A 209 -8.855 0.191 24.085 1.00 4.35 C ANISOU 3452 CG TRP A 209 559 577 518 -4 -113 12 C ATOM 3453 CD1 TRP A 209 -7.630 0.791 24.257 1.00 5.59 C ANISOU 3453 CD1 TRP A 209 709 728 688 -2 -117 2 C ATOM 3454 CD2 TRP A 209 -8.899 -0.243 22.741 1.00 4.22 C ANISOU 3454 CD2 TRP A 209 548 544 510 -6 -106 18 C ATOM 3455 NE1 TRP A 209 -6.905 0.729 23.089 1.00 5.53 N ANISOU 3455 NE1 TRP A 209 701 704 695 -4 -109 3 N ATOM 3456 CE2 TRP A 209 -7.672 0.116 22.138 1.00 5.24 C ANISOU 3456 CE2 TRP A 209 675 662 656 -5 -102 12 C ATOM 3457 CE3 TRP A 209 -9.862 -0.890 21.969 1.00 5.16 C ANISOU 3457 CE3 TRP A 209 674 660 625 -8 -102 25 C ATOM 3458 CZ2 TRP A 209 -7.396 -0.170 20.808 1.00 5.41 C ANISOU 3458 CZ2 TRP A 209 701 671 684 -6 -92 15 C ATOM 3459 CZ3 TRP A 209 -9.557 -1.177 20.662 1.00 6.02 C ANISOU 3459 CZ3 TRP A 209 790 754 743 -6 -97 26 C ATOM 3460 CH2 TRP A 209 -8.348 -0.846 20.110 1.00 6.04 C ANISOU 3460 CH2 TRP A 209 790 748 756 -5 -91 22 C ATOM 0 H TRP A 209 -10.066 2.288 26.226 1.00 4.51 H new ATOM 0 HA TRP A 209 -11.044 1.402 23.905 1.00 4.49 H new ATOM 0 HB2 TRP A 209 -9.610 0.132 25.966 1.00 4.80 H new ATOM 0 HB3 TRP A 209 -10.405 -0.769 24.972 1.00 4.80 H new ATOM 0 HD1 TRP A 209 -7.334 1.182 25.047 1.00 5.59 H new ATOM 0 HE1 TRP A 209 -6.106 1.025 22.977 1.00 5.53 H new ATOM 0 HE3 TRP A 209 -10.688 -1.121 22.329 1.00 5.16 H new ATOM 0 HZ2 TRP A 209 -6.596 0.089 20.412 1.00 5.41 H new ATOM 0 HZ3 TRP A 209 -10.190 -1.609 20.135 1.00 6.02 H new ATOM 0 HH2 TRP A 209 -8.172 -1.091 19.230 1.00 6.04 H new ATOM 3471 N ILE A 210 -13.237 0.435 24.436 1.00 4.07 N ANISOU 3471 N ILE A 210 514 590 442 -9 -103 5 N ATOM 3472 CA ILE A 210 -14.546 -0.099 24.739 1.00 4.89 C ANISOU 3472 CA ILE A 210 609 717 533 -18 -97 7 C ATOM 3473 C ILE A 210 -14.657 -1.369 23.906 1.00 4.52 C ANISOU 3473 C ILE A 210 570 655 494 -30 -96 24 C ATOM 3474 O ILE A 210 -14.777 -1.280 22.694 1.00 5.63 O ANISOU 3474 O ILE A 210 715 778 647 -24 -97 20 O ATOM 3475 CB ILE A 210 -15.636 0.908 24.356 1.00 5.39 C ANISOU 3475 CB ILE A 210 661 791 595 -5 -98 -15 C ATOM 3476 CG1 ILE A 210 -15.467 2.206 25.176 1.00 6.15 C ANISOU 3476 CG1 ILE A 210 752 898 686 10 -103 -36 C ATOM 3477 CG2 ILE A 210 -17.015 0.354 24.574 1.00 5.73 C ANISOU 3477 CG2 ILE A 210 688 862 627 -16 -91 -17 C ATOM 3478 CD1 ILE A 210 -16.278 3.387 24.664 1.00 8.16 C ANISOU 3478 CD1 ILE A 210 1003 1152 947 30 -110 -60 C ATOM 0 H ILE A 210 -13.082 0.495 23.592 1.00 4.07 H new ATOM 0 HA ILE A 210 -14.660 -0.280 25.685 1.00 4.89 H new ATOM 0 HB ILE A 210 -15.536 1.098 23.410 1.00 5.39 H new ATOM 0 HG12 ILE A 210 -15.720 2.029 26.096 1.00 6.15 H new ATOM 0 HG13 ILE A 210 -14.529 2.451 25.182 1.00 6.15 H new ATOM 0 HG21 ILE A 210 -17.675 1.019 24.321 1.00 5.73 H new ATOM 0 HG22 ILE A 210 -17.134 -0.442 24.032 1.00 5.73 H new ATOM 0 HG23 ILE A 210 -17.128 0.127 25.510 1.00 5.73 H new ATOM 0 HD11 ILE A 210 -16.118 4.159 25.229 1.00 8.16 H new ATOM 0 HD12 ILE A 210 -16.012 3.592 23.754 1.00 8.16 H new ATOM 0 HD13 ILE A 210 -17.222 3.164 24.682 1.00 8.16 H new ATOM 3490 N VAL A 211 -14.568 -2.530 24.540 1.00 4.65 N ANISOU 3490 N VAL A 211 591 675 503 -46 -96 43 N ATOM 3491 CA VAL A 211 -14.510 -3.799 23.845 1.00 5.16 C ANISOU 3491 CA VAL A 211 666 718 578 -57 -99 58 C ATOM 3492 C VAL A 211 -15.807 -4.540 24.112 1.00 5.48 C ANISOU 3492 C VAL A 211 699 775 610 -78 -93 66 C ATOM 3493 O VAL A 211 -16.141 -4.801 25.275 1.00 6.41 O ANISOU 3493 O VAL A 211 813 915 709 -93 -88 76 O ATOM 3494 CB VAL A 211 -13.307 -4.628 24.319 1.00 5.96 C ANISOU 3494 CB VAL A 211 781 802 681 -57 -108 74 C ATOM 3495 CG1 VAL A 211 -13.305 -5.983 23.612 1.00 6.37 C ANISOU 3495 CG1 VAL A 211 847 829 745 -66 -115 87 C ATOM 3496 CG2 VAL A 211 -12.013 -3.882 24.047 1.00 6.85 C ANISOU 3496 CG2 VAL A 211 895 903 804 -38 -112 63 C ATOM 0 H VAL A 211 -14.539 -2.600 25.397 1.00 4.65 H new ATOM 0 HA VAL A 211 -14.400 -3.649 22.893 1.00 5.16 H new ATOM 0 HB VAL A 211 -13.378 -4.773 25.275 1.00 5.96 H new ATOM 0 HG11 VAL A 211 -12.544 -6.504 23.913 1.00 6.37 H new ATOM 0 HG12 VAL A 211 -14.125 -6.458 23.820 1.00 6.37 H new ATOM 0 HG13 VAL A 211 -13.245 -5.848 22.653 1.00 6.37 H new ATOM 0 HG21 VAL A 211 -11.262 -4.415 24.351 1.00 6.85 H new ATOM 0 HG22 VAL A 211 -11.928 -3.717 23.095 1.00 6.85 H new ATOM 0 HG23 VAL A 211 -12.021 -3.036 24.522 1.00 6.85 H new ATOM 3506 N LEU A 212 -16.575 -4.827 23.057 1.00 6.15 N ANISOU 3506 N LEU A 212 780 852 706 -82 -94 60 N ATOM 3507 CA LEU A 212 -17.849 -5.477 23.216 1.00 6.06 C ANISOU 3507 CA LEU A 212 755 857 689 -105 -89 63 C ATOM 3508 C LEU A 212 -17.671 -6.928 23.631 1.00 5.72 C ANISOU 3508 C LEU A 212 728 798 647 -131 -92 90 C ATOM 3509 O LEU A 212 -16.813 -7.645 23.123 1.00 7.45 O ANISOU 3509 O LEU A 212 967 984 880 -126 -104 99 O ATOM 3510 CB LEU A 212 -18.648 -5.394 21.922 1.00 6.99 C ANISOU 3510 CB LEU A 212 866 970 822 -100 -93 46 C ATOM 3511 CG LEU A 212 -19.038 -3.983 21.493 1.00 6.58 C ANISOU 3511 CG LEU A 212 801 932 768 -75 -93 21 C ATOM 3512 CD1 LEU A 212 -20.046 -4.028 20.331 1.00 9.30 C ANISOU 3512 CD1 LEU A 212 1136 1276 1121 -71 -101 5 C ATOM 3513 CD2 LEU A 212 -19.554 -3.120 22.616 1.00 9.85 C ANISOU 3513 CD2 LEU A 212 1196 1382 1166 -73 -84 10 C ATOM 0 H LEU A 212 -16.364 -4.647 22.243 1.00 6.15 H new ATOM 0 HA LEU A 212 -18.337 -5.019 23.918 1.00 6.06 H new ATOM 0 HB2 LEU A 212 -18.129 -5.802 21.211 1.00 6.99 H new ATOM 0 HB3 LEU A 212 -19.456 -5.922 22.022 1.00 6.99 H new ATOM 0 HG LEU A 212 -18.218 -3.561 21.193 1.00 6.58 H new ATOM 0 HD11 LEU A 212 -20.282 -3.124 20.072 1.00 9.30 H new ATOM 0 HD12 LEU A 212 -19.648 -4.487 19.575 1.00 9.30 H new ATOM 0 HD13 LEU A 212 -20.844 -4.502 20.613 1.00 9.30 H new ATOM 0 HD21 LEU A 212 -19.781 -2.242 22.272 1.00 9.85 H new ATOM 0 HD22 LEU A 212 -20.344 -3.530 23.002 1.00 9.85 H new ATOM 0 HD23 LEU A 212 -18.870 -3.032 23.298 1.00 9.85 H new ATOM 3525 N LYS A 213 -18.542 -7.375 24.531 1.00 7.31 N ANISOU 3525 N LYS A 213 919 1024 833 -159 -82 101 N ATOM 3526 CA LYS A 213 -18.501 -8.753 24.972 1.00 8.58 C ANISOU 3526 CA LYS A 213 1099 1167 993 -188 -86 131 C ATOM 3527 C LYS A 213 -18.945 -9.746 23.916 1.00 7.26 C ANISOU 3527 C LYS A 213 938 971 851 -202 -96 132 C ATOM 3528 O LYS A 213 -18.393 -10.840 23.795 1.00 10.26 O ANISOU 3528 O LYS A 213 1344 1315 1241 -211 -110 150 O ATOM 3529 CB LYS A 213 -19.335 -8.929 26.232 1.00 11.28 C ANISOU 3529 CB LYS A 213 1430 1546 1309 -220 -68 145 C ATOM 3530 CG LYS A 213 -19.419 -10.384 26.691 1.00 15.23 C ANISOU 3530 CG LYS A 213 1954 2026 1809 -257 -72 181 C ATOM 3531 CD LYS A 213 -20.164 -10.532 28.005 1.00 20.01 C ANISOU 3531 CD LYS A 213 2551 2671 2381 -291 -51 200 C ATOM 3532 CE LYS A 213 -20.321 -11.994 28.401 1.00 21.23 C ANISOU 3532 CE LYS A 213 2732 2798 2534 -334 -55 240 C ATOM 3533 NZ LYS A 213 -21.137 -12.768 27.411 1.00 28.78 N ANISOU 3533 NZ LYS A 213 3681 3733 3520 -359 -59 236 N ATOM 0 H LYS A 213 -19.158 -6.896 24.893 1.00 7.31 H new ATOM 0 HA LYS A 213 -17.569 -8.947 25.157 1.00 8.58 H new ATOM 0 HB2 LYS A 213 -18.954 -8.392 26.944 1.00 11.28 H new ATOM 0 HB3 LYS A 213 -20.231 -8.593 26.071 1.00 11.28 H new ATOM 0 HG2 LYS A 213 -19.863 -10.911 26.009 1.00 15.23 H new ATOM 0 HG3 LYS A 213 -18.523 -10.743 26.788 1.00 15.23 H new ATOM 0 HD2 LYS A 213 -19.687 -10.057 28.703 1.00 20.01 H new ATOM 0 HD3 LYS A 213 -21.039 -10.121 27.929 1.00 20.01 H new ATOM 0 HE2 LYS A 213 -19.444 -12.401 28.482 1.00 21.23 H new ATOM 0 HE3 LYS A 213 -20.740 -12.047 29.274 1.00 21.23 H new ATOM 0 HZ1 LYS A 213 -21.376 -13.548 27.768 1.00 28.78 H new ATOM 0 HZ2 LYS A 213 -21.866 -12.303 27.199 1.00 28.78 H new ATOM 0 HZ3 LYS A 213 -20.654 -12.914 26.677 1.00 28.78 H new ATOM 3547 N AGLU A 214 -19.961 -9.403 23.143 0.76 4.34 N ANISOU 3547 N AGLU A 214 544 615 489 -204 -92 109 N ATOM 3548 CA AGLU A 214 -20.521 -10.326 22.167 0.76 5.09 C ANISOU 3548 CA AGLU A 214 641 688 606 -219 -103 106 C ATOM 3549 CA BGLU A 214 -20.800 -9.718 21.955 0.24 14.13 C ANISOU 3549 CA BGLU A 214 1772 1847 1748 -208 -99 92 C ATOM 3550 C AGLU A 214 -19.760 -10.225 20.855 0.76 4.26 C ANISOU 3550 C AGLU A 214 550 551 518 -186 -119 90 C ATOM 3551 O AGLU A 214 -19.724 -9.159 20.226 0.76 4.32 O ANISOU 3551 O AGLU A 214 547 570 523 -158 -118 69 O ATOM 3552 CB AGLU A 214 -21.979 -9.979 21.911 0.76 4.70 C ANISOU 3552 CB AGLU A 214 556 672 558 -233 -93 85 C ATOM 3553 CB BGLU A 214 -22.279 -9.707 21.633 0.24 11.69 C ANISOU 3553 CB BGLU A 214 1432 1565 1445 -228 -93 74 C ATOM 3554 CG AGLU A 214 -22.652 -10.923 20.931 0.76 8.38 C ANISOU 3554 CG AGLU A 214 1020 1117 1048 -251 -107 78 C ATOM 3555 CG BGLU A 214 -22.795 -11.043 21.254 0.24 10.83 C ANISOU 3555 CG BGLU A 214 1328 1433 1355 -261 -103 84 C ATOM 3556 CD AGLU A 214 -24.072 -10.465 20.578 0.76 13.26 C ANISOU 3556 CD AGLU A 214 1598 1772 1669 -259 -101 51 C ATOM 3557 CD BGLU A 214 -24.218 -10.954 20.831 0.24 6.15 C ANISOU 3557 CD BGLU A 214 699 868 770 -278 -99 60 C ATOM 3558 OE1AGLU A 214 -24.729 -9.819 21.405 0.76 10.42 O ANISOU 3558 OE1AGLU A 214 1210 1456 1293 -266 -82 45 O ATOM 3559 OE1BGLU A 214 -24.791 -9.853 20.933 0.24 5.52 O ANISOU 3559 OE1BGLU A 214 590 828 680 -260 -89 38 O ATOM 3560 OE2AGLU A 214 -24.539 -10.706 19.436 0.76 18.30 O ANISOU 3560 OE2AGLU A 214 2231 2398 2326 -253 -117 30 O ATOM 3561 OE2BGLU A 214 -24.763 -11.962 20.360 0.24 5.86 O ANISOU 3561 OE2BGLU A 214 662 813 753 -305 -109 62 O ATOM 0 H AGLU A 214 -20.345 -8.634 23.167 0.76 4.34 H new ATOM 0 HA AGLU A 214 -20.450 -11.228 22.517 0.76 14.13 H new ATOM 0 HA BGLU A 214 -21.632 -9.374 22.316 0.24 14.13 H new ATOM 0 HB2AGLU A 214 -22.462 -9.996 22.752 0.76 11.69 H new ATOM 0 HB2BGLU A 214 -22.771 -9.382 22.403 0.24 11.69 H new ATOM 0 HB3AGLU A 214 -22.035 -9.073 21.569 0.76 11.69 H new ATOM 0 HB3BGLU A 214 -22.443 -9.084 20.908 0.24 11.69 H new ATOM 0 HG2AGLU A 214 -22.121 -10.981 20.121 0.76 10.83 H new ATOM 0 HG2BGLU A 214 -22.260 -11.409 20.532 0.24 10.83 H new ATOM 0 HG3AGLU A 214 -22.686 -11.814 21.312 0.76 10.83 H new ATOM 0 HG3BGLU A 214 -22.713 -11.652 22.005 0.24 10.83 H new ATOM 3574 N PRO A 215 -19.165 -11.322 20.403 1.00 6.66 N ANISOU 3574 N PRO A 215 879 815 837 -189 -136 100 N ATOM 3575 CA APRO A 215 -18.527 -11.313 19.087 0.47 6.91 C ANISOU 3575 CA APRO A 215 921 822 882 -159 -149 82 C ATOM 3576 CA BPRO A 215 -18.530 -11.317 19.083 0.53 6.67 C ANISOU 3576 CA BPRO A 215 892 792 852 -159 -149 82 C ATOM 3577 C PRO A 215 -19.554 -11.298 17.970 0.90 5.62 C ANISOU 3577 C PRO A 215 743 662 728 -159 -155 59 C ATOM 3578 O PRO A 215 -20.692 -11.695 18.193 0.83 6.94 O ANISOU 3578 O PRO A 215 895 842 900 -189 -153 59 O ATOM 3579 CB APRO A 215 -17.779 -12.645 19.056 0.47 8.15 C ANISOU 3579 CB APRO A 215 1107 937 1054 -164 -167 97 C ATOM 3580 CB BPRO A 215 -17.758 -12.645 19.048 0.53 7.69 C ANISOU 3580 CB BPRO A 215 1049 879 995 -163 -167 97 C ATOM 3581 CG APRO A 215 -18.629 -13.549 19.884 0.47 9.20 C ANISOU 3581 CG APRO A 215 1241 1067 1187 -207 -167 119 C ATOM 3582 CG BPRO A 215 -17.620 -13.049 20.508 0.53 7.80 C ANISOU 3582 CG BPRO A 215 1073 895 998 -187 -163 127 C ATOM 3583 CD APRO A 215 -19.263 -12.685 20.954 0.47 6.53 C ANISOU 3583 CD APRO A 215 880 773 826 -222 -144 126 C ATOM 3584 CD BPRO A 215 -18.864 -12.546 21.164 0.53 7.32 C ANISOU 3584 CD BPRO A 215 985 873 922 -214 -143 130 C ATOM 0 HA APRO A 215 -17.966 -10.532 18.958 0.47 6.67 H new ATOM 0 HA BPRO A 215 -17.973 -10.534 18.952 0.53 6.67 H new ATOM 0 HB2APRO A 215 -17.682 -12.978 18.150 0.47 7.69 H new ATOM 0 HB2BPRO A 215 -18.237 -13.318 18.540 0.53 7.69 H new ATOM 0 HB3APRO A 215 -16.886 -12.560 19.424 0.47 7.69 H new ATOM 0 HB3BPRO A 215 -16.890 -12.537 18.628 0.53 7.69 H new ATOM 0 HG2APRO A 215 -19.308 -13.978 19.340 0.47 7.80 H new ATOM 0 HG2BPRO A 215 -17.538 -14.011 20.600 0.53 7.80 H new ATOM 0 HG3APRO A 215 -18.096 -14.255 20.282 0.47 7.80 H new ATOM 0 HG3BPRO A 215 -16.828 -12.657 20.908 0.53 7.80 H new ATOM 0 HD2APRO A 215 -20.185 -12.938 21.117 0.47 7.32 H new ATOM 0 HD2BPRO A 215 -19.586 -13.191 21.108 0.53 7.32 H new ATOM 0 HD3APRO A 215 -18.794 -12.763 21.799 0.47 7.32 H new ATOM 0 HD3BPRO A 215 -18.724 -12.359 22.105 0.53 7.32 H new ATOM 3599 N ILE A 216 -19.163 -10.843 16.795 1.00 6.55 N ANISOU 3599 N ILE A 216 866 773 848 -129 -162 39 N ATOM 3600 CA ILE A 216 -19.945 -11.083 15.602 1.00 6.38 C ANISOU 3600 CA ILE A 216 839 748 836 -125 -174 17 C ATOM 3601 C ILE A 216 -19.413 -12.328 14.917 1.00 6.50 C ANISOU 3601 C ILE A 216 877 724 867 -124 -193 15 C ATOM 3602 O ILE A 216 -18.262 -12.713 15.076 1.00 7.92 O ANISOU 3602 O ILE A 216 1077 883 1049 -113 -196 25 O ATOM 3603 CB ILE A 216 -19.930 -9.887 14.621 1.00 6.71 C ANISOU 3603 CB ILE A 216 878 805 867 -92 -173 -4 C ATOM 3604 CG1 ILE A 216 -18.509 -9.563 14.127 1.00 7.18 C ANISOU 3604 CG1 ILE A 216 959 849 920 -64 -170 -2 C ATOM 3605 CG2 ILE A 216 -20.589 -8.669 15.291 1.00 7.95 C ANISOU 3605 CG2 ILE A 216 1012 996 1011 -91 -160 -6 C ATOM 3606 CD1 ILE A 216 -18.491 -8.620 12.936 1.00 8.25 C ANISOU 3606 CD1 ILE A 216 1098 992 1043 -36 -171 -19 C ATOM 0 H ILE A 216 -18.443 -10.390 16.667 1.00 6.55 H new ATOM 0 HA ILE A 216 -20.869 -11.205 15.870 1.00 6.38 H new ATOM 0 HB ILE A 216 -20.441 -10.128 13.833 1.00 6.71 H new ATOM 0 HG12 ILE A 216 -18.003 -9.167 14.853 1.00 7.18 H new ATOM 0 HG13 ILE A 216 -18.061 -10.389 13.886 1.00 7.18 H new ATOM 0 HG21 ILE A 216 -20.581 -7.918 14.677 1.00 7.95 H new ATOM 0 HG22 ILE A 216 -21.505 -8.885 15.525 1.00 7.95 H new ATOM 0 HG23 ILE A 216 -20.097 -8.436 16.094 1.00 7.95 H new ATOM 0 HD11 ILE A 216 -17.573 -8.452 12.670 1.00 8.25 H new ATOM 0 HD12 ILE A 216 -18.973 -9.022 12.197 1.00 8.25 H new ATOM 0 HD13 ILE A 216 -18.915 -7.782 13.180 1.00 8.25 H new ATOM 3618 N SER A 217 -20.305 -12.989 14.198 1.00 8.11 N ANISOU 3618 N SER A 217 1076 921 1084 -136 -208 0 N ATOM 3619 CA ASER A 217 -19.959 -14.158 13.399 0.42 8.45 C ANISOU 3619 CA ASER A 217 1140 926 1143 -132 -230 -10 C ATOM 3620 CA BSER A 217 -19.883 -14.142 13.426 0.25 8.70 C ANISOU 3620 CA BSER A 217 1172 958 1175 -131 -229 -9 C ATOM 3621 CA CSER A 217 -19.966 -14.166 13.415 0.33 8.63 C ANISOU 3621 CA CSER A 217 1163 949 1167 -132 -230 -9 C ATOM 3622 C SER A 217 -19.746 -13.750 11.963 1.00 7.54 C ANISOU 3622 C SER A 217 1030 814 1021 -96 -238 -38 C ATOM 3623 O SER A 217 -20.581 -13.023 11.405 0.93 8.32 O ANISOU 3623 O SER A 217 1113 937 1112 -89 -238 -54 O ATOM 3624 CB ASER A 217 -21.093 -15.179 13.444 0.42 11.14 C ANISOU 3624 CB ASER A 217 1472 1254 1505 -169 -244 -12 C ATOM 3625 CB BSER A 217 -20.846 -15.309 13.605 0.25 11.60 C ANISOU 3625 CB BSER A 217 1536 1307 1564 -170 -244 -7 C ATOM 3626 CB CSER A 217 -21.112 -15.184 13.508 0.33 11.27 C ANISOU 3626 CB CSER A 217 1489 1271 1521 -171 -244 -11 C ATOM 3627 OG ASER A 217 -21.097 -15.816 14.693 0.42 9.97 O ANISOU 3627 OG ASER A 217 1331 1096 1363 -205 -239 18 O ATOM 3628 OG BSER A 217 -22.131 -14.947 13.187 0.25 8.89 O ANISOU 3628 OG BSER A 217 1167 990 1223 -181 -245 -26 O ATOM 3629 OG CSER A 217 -20.837 -16.349 12.755 0.33 12.12 O ANISOU 3629 OG CSER A 217 1618 1339 1648 -168 -269 -23 O ATOM 0 H ASER A 217 -21.136 -12.772 14.158 0.42 8.11 H new ATOM 0 H BSER A 217 -21.140 -12.793 14.143 0.25 8.11 H new ATOM 0 H CSER A 217 -21.134 -12.765 14.150 0.33 8.11 H new ATOM 0 HA ASER A 217 -19.148 -14.548 13.761 0.42 8.63 H new ATOM 0 HA BSER A 217 -19.019 -14.440 13.750 0.25 8.63 H new ATOM 0 HA CSER A 217 -19.155 -14.573 13.757 0.33 8.63 H new ATOM 0 HB2ASER A 217 -21.944 -14.739 13.291 0.42 11.27 H new ATOM 0 HB2BSER A 217 -20.536 -16.073 13.094 0.25 11.27 H new ATOM 0 HB2CSER A 217 -21.257 -15.425 14.436 0.33 11.27 H new ATOM 0 HB3ASER A 217 -20.981 -15.833 12.737 0.42 11.27 H new ATOM 0 HB3BSER A 217 -20.866 -15.580 14.536 0.25 11.27 H new ATOM 0 HB3CSER A 217 -21.933 -14.778 13.189 0.33 11.27 H new ATOM 0 HG ASER A 217 -21.407 -16.592 14.611 0.42 12.12 H new ATOM 0 HG BSER A 217 -22.444 -15.548 12.691 0.25 12.12 H new ATOM 0 HG CSER A 217 -20.934 -16.184 11.937 0.33 12.12 H new ATOM 3645 N VAL A 218 -18.653 -14.220 11.364 1.00 7.99 N ANISOU 3645 N VAL A 218 1109 848 1080 -72 -246 -44 N ATOM 3646 CA VAL A 218 -18.371 -14.035 9.958 1.00 7.64 C ANISOU 3646 CA VAL A 218 1073 805 1025 -40 -253 -71 C ATOM 3647 C VAL A 218 -18.089 -15.413 9.370 1.00 8.13 C ANISOU 3647 C VAL A 218 1152 832 1105 -36 -278 -87 C ATOM 3648 O VAL A 218 -17.739 -16.352 10.099 1.00 8.44 O ANISOU 3648 O VAL A 218 1202 842 1162 -51 -287 -73 O ATOM 3649 CB VAL A 218 -17.151 -13.110 9.744 1.00 8.36 C ANISOU 3649 CB VAL A 218 1172 910 1096 -11 -234 -67 C ATOM 3650 CG1 VAL A 218 -17.394 -11.788 10.429 1.00 7.71 C ANISOU 3650 CG1 VAL A 218 1075 856 1000 -15 -214 -52 C ATOM 3651 CG2 VAL A 218 -15.877 -13.756 10.224 1.00 8.92 C ANISOU 3651 CG2 VAL A 218 1255 961 1176 -4 -234 -59 C ATOM 0 H VAL A 218 -18.046 -14.664 11.780 1.00 7.99 H new ATOM 0 HA VAL A 218 -19.128 -13.614 9.522 1.00 7.64 H new ATOM 0 HB VAL A 218 -17.042 -12.953 8.793 1.00 8.36 H new ATOM 0 HG11 VAL A 218 -16.628 -11.208 10.294 1.00 7.71 H new ATOM 0 HG12 VAL A 218 -18.185 -11.370 10.055 1.00 7.71 H new ATOM 0 HG13 VAL A 218 -17.525 -11.935 11.379 1.00 7.71 H new ATOM 0 HG21 VAL A 218 -15.132 -13.152 10.076 1.00 8.92 H new ATOM 0 HG22 VAL A 218 -15.950 -13.953 11.171 1.00 8.92 H new ATOM 0 HG23 VAL A 218 -15.727 -14.580 9.734 1.00 8.92 H new ATOM 3661 N SER A 219 -18.219 -15.582 8.069 1.00 8.18 N ANISOU 3661 N SER A 219 1165 838 1105 -14 -292 -116 N ATOM 3662 CA SER A 219 -18.008 -16.903 7.529 1.00 7.67 C ANISOU 3662 CA SER A 219 1117 738 1059 -9 -319 -136 C ATOM 3663 C SER A 219 -16.550 -17.143 7.210 1.00 8.84 C ANISOU 3663 C SER A 219 1281 877 1200 24 -316 -144 C ATOM 3664 O SER A 219 -15.744 -16.197 7.091 1.00 8.17 O ANISOU 3664 O SER A 219 1194 818 1093 44 -292 -139 O ATOM 3665 CB SER A 219 -18.827 -17.105 6.264 1.00 9.64 C ANISOU 3665 CB SER A 219 1366 991 1305 2 -339 -170 C ATOM 3666 OG SER A 219 -18.354 -16.231 5.258 1.00 8.34 O ANISOU 3666 OG SER A 219 1207 855 1109 38 -327 -184 O ATOM 0 H SER A 219 -18.421 -14.969 7.501 1.00 8.18 H new ATOM 0 HA SER A 219 -18.292 -17.536 8.207 1.00 7.67 H new ATOM 0 HB2 SER A 219 -18.759 -18.025 5.966 1.00 9.64 H new ATOM 0 HB3 SER A 219 -19.765 -16.933 6.442 1.00 9.64 H new ATOM 0 HG SER A 219 -18.803 -16.341 4.557 1.00 8.34 H new ATOM 3672 N SER A 220 -16.189 -18.413 7.080 1.00 9.83 N ANISOU 3672 N SER A 220 1207 638 1892 20 -291 -23 N ATOM 3673 CA ASER A 220 -14.838 -18.783 6.700 0.60 10.64 C ANISOU 3673 CA ASER A 220 1334 778 1932 92 -276 -125 C ATOM 3674 CA BSER A 220 -14.839 -18.765 6.709 0.40 12.71 C ANISOU 3674 CA BSER A 220 1595 1041 2192 92 -276 -124 C ATOM 3675 C SER A 220 -14.460 -18.091 5.393 1.00 11.40 C ANISOU 3675 C SER A 220 1423 998 1909 65 -297 -214 C ATOM 3676 O SER A 220 -13.339 -17.618 5.239 1.00 11.64 O ANISOU 3676 O SER A 220 1448 1125 1849 115 -266 -250 O ATOM 3677 CB ASER A 220 -14.712 -20.308 6.575 0.60 12.45 C ANISOU 3677 CB ASER A 220 1606 874 2250 124 -292 -196 C ATOM 3678 CB BSER A 220 -14.703 -20.275 6.594 0.40 13.90 C ANISOU 3678 CB BSER A 220 1789 1060 2431 125 -291 -194 C ATOM 3679 OG ASER A 220 -15.620 -20.852 5.627 0.60 12.85 O ANISOU 3679 OG ASER A 220 1671 862 2348 45 -353 -261 O ATOM 3680 OG BSER A 220 -13.339 -20.615 6.510 0.40 12.98 O ANISOU 3680 OG BSER A 220 1693 981 2257 216 -261 -264 O ATOM 0 H ASER A 220 -16.718 -19.079 7.209 0.60 9.83 H new ATOM 0 H BSER A 220 -16.715 -19.082 7.203 0.40 9.83 H new ATOM 0 HA ASER A 220 -14.223 -18.491 7.391 0.60 12.71 H new ATOM 0 HA BSER A 220 -14.233 -18.453 7.399 0.40 12.71 H new ATOM 0 HB2ASER A 220 -13.805 -20.535 6.317 0.60 13.90 H new ATOM 0 HB2BSER A 220 -15.108 -20.706 7.363 0.40 13.90 H new ATOM 0 HB3ASER A 220 -14.871 -20.715 7.441 0.60 13.90 H new ATOM 0 HB3BSER A 220 -15.175 -20.594 5.809 0.40 13.90 H new ATOM 0 HG ASER A 220 -15.519 -21.685 5.588 0.60 12.98 H new ATOM 0 HG BSER A 220 -12.876 -20.001 6.848 0.40 12.98 H new ATOM 3691 N GLU A 221 -15.398 -18.019 4.454 1.00 11.10 N ANISOU 3691 N GLU A 221 1381 965 1871 -13 -348 -244 N ATOM 3692 CA GLU A 221 -15.114 -17.414 3.153 1.00 12.33 C ANISOU 3692 CA GLU A 221 1531 1242 1912 -31 -367 -324 C ATOM 3693 C GLU A 221 -14.828 -15.927 3.281 1.00 10.73 C ANISOU 3693 C GLU A 221 1291 1169 1617 -34 -322 -254 C ATOM 3694 O GLU A 221 -13.962 -15.374 2.559 1.00 12.73 O ANISOU 3694 O GLU A 221 1539 1531 1766 -8 -303 -309 O ATOM 3695 CB GLU A 221 -16.267 -17.574 2.179 1.00 13.24 C ANISOU 3695 CB GLU A 221 1641 1351 2039 -114 -434 -360 C ATOM 3696 CG GLU A 221 -16.455 -18.988 1.674 1.00 17.89 C ANISOU 3696 CG GLU A 221 2272 1828 2698 -123 -488 -469 C ATOM 3697 CD GLU A 221 -17.272 -19.841 2.613 1.00 20.25 C ANISOU 3697 CD GLU A 221 2575 1968 3151 -152 -497 -406 C ATOM 3698 OE1 GLU A 221 -17.792 -19.329 3.613 1.00 18.27 O ANISOU 3698 OE1 GLU A 221 2291 1703 2947 -165 -467 -274 O ATOM 3699 OE2 GLU A 221 -17.395 -21.059 2.356 1.00 25.01 O ANISOU 3699 OE2 GLU A 221 3217 2454 3832 -160 -531 -489 O ATOM 0 H GLU A 221 -16.201 -18.312 4.547 1.00 11.10 H new ATOM 0 HA GLU A 221 -14.334 -17.882 2.815 1.00 12.33 H new ATOM 0 HB2 GLU A 221 -17.086 -17.283 2.611 1.00 13.24 H new ATOM 0 HB3 GLU A 221 -16.122 -16.986 1.421 1.00 13.24 H new ATOM 0 HG2 GLU A 221 -16.889 -18.962 0.807 1.00 17.89 H new ATOM 0 HG3 GLU A 221 -15.586 -19.399 1.544 1.00 17.89 H new ATOM 3706 N GLN A 222 -15.529 -15.240 4.195 1.00 9.18 N ANISOU 3706 N GLN A 222 1070 959 1456 -63 -299 -131 N ATOM 3707 CA GLN A 222 -15.307 -13.812 4.400 1.00 8.72 C ANISOU 3707 CA GLN A 222 986 1007 1321 -69 -251 -63 C ATOM 3708 C GLN A 222 -13.890 -13.561 4.915 1.00 9.26 C ANISOU 3708 C GLN A 222 1055 1123 1341 -2 -202 -85 C ATOM 3709 O GLN A 222 -13.138 -12.731 4.393 1.00 9.20 O ANISOU 3709 O GLN A 222 1032 1222 1242 5 -173 -112 O ATOM 3710 CB GLN A 222 -16.384 -13.251 5.341 1.00 8.45 C ANISOU 3710 CB GLN A 222 935 933 1342 -105 -234 71 C ATOM 3711 CG GLN A 222 -17.700 -13.121 4.638 1.00 7.71 C ANISOU 3711 CG GLN A 222 823 841 1264 -175 -276 100 C ATOM 3712 CD GLN A 222 -18.813 -12.593 5.523 1.00 8.11 C ANISOU 3712 CD GLN A 222 855 857 1370 -205 -256 241 C ATOM 3713 OE1 GLN A 222 -18.923 -12.968 6.686 1.00 9.11 O ANISOU 3713 OE1 GLN A 222 989 901 1571 -178 -237 305 O ATOM 3714 NE2 GLN A 222 -19.676 -11.758 4.957 1.00 8.11 N ANISOU 3714 NE2 GLN A 222 828 922 1331 -253 -259 295 N ATOM 0 H GLN A 222 -16.133 -15.585 4.701 1.00 9.18 H new ATOM 0 HA GLN A 222 -15.384 -13.343 3.555 1.00 8.72 H new ATOM 0 HB2 GLN A 222 -16.481 -13.834 6.110 1.00 8.45 H new ATOM 0 HB3 GLN A 222 -16.106 -12.384 5.675 1.00 8.45 H new ATOM 0 HG2 GLN A 222 -17.594 -12.529 3.877 1.00 7.71 H new ATOM 0 HG3 GLN A 222 -17.959 -13.988 4.289 1.00 7.71 H new ATOM 0 HE21 GLN A 222 -19.567 -11.517 4.139 1.00 8.11 H new ATOM 0 HE22 GLN A 222 -20.344 -11.459 5.409 1.00 8.11 H new ATOM 3723 N VAL A 223 -13.468 -14.293 5.940 1.00 8.83 N ANISOU 3723 N VAL A 223 1013 996 1347 51 -189 -71 N ATOM 3724 CA VAL A 223 -12.142 -14.057 6.504 1.00 11.89 C ANISOU 3724 CA VAL A 223 1391 1442 1687 115 -148 -86 C ATOM 3725 C VAL A 223 -11.036 -14.528 5.564 1.00 12.17 C ANISOU 3725 C VAL A 223 1431 1530 1663 160 -152 -200 C ATOM 3726 O VAL A 223 -9.952 -13.938 5.537 1.00 11.41 O ANISOU 3726 O VAL A 223 1311 1530 1495 189 -118 -220 O ATOM 3727 CB VAL A 223 -12.003 -14.644 7.922 1.00 14.36 C ANISOU 3727 CB VAL A 223 1709 1679 2068 171 -130 -27 C ATOM 3728 CG1 VAL A 223 -12.005 -16.141 7.871 1.00 18.77 C ANISOU 3728 CG1 VAL A 223 2298 2131 2703 213 -154 -73 C ATOM 3729 CG2 VAL A 223 -10.737 -14.095 8.599 1.00 15.73 C ANISOU 3729 CG2 VAL A 223 1859 1939 2178 224 -89 -27 C ATOM 0 H VAL A 223 -13.922 -14.918 6.318 1.00 8.83 H new ATOM 0 HA VAL A 223 -12.037 -13.097 6.597 1.00 11.89 H new ATOM 0 HB VAL A 223 -12.765 -14.372 8.457 1.00 14.36 H new ATOM 0 HG11 VAL A 223 -11.917 -16.496 8.770 1.00 18.77 H new ATOM 0 HG12 VAL A 223 -12.838 -16.451 7.482 1.00 18.77 H new ATOM 0 HG13 VAL A 223 -11.262 -16.447 7.329 1.00 18.77 H new ATOM 0 HG21 VAL A 223 -10.658 -14.470 9.490 1.00 15.73 H new ATOM 0 HG22 VAL A 223 -9.958 -14.340 8.076 1.00 15.73 H new ATOM 0 HG23 VAL A 223 -10.795 -13.129 8.659 1.00 15.73 H new ATOM 3739 N LEU A 224 -11.301 -15.562 4.784 1.00 11.64 N ANISOU 3739 N LEU A 224 1395 1403 1626 163 -192 -275 N ATOM 3740 CA ALEU A 224 -10.323 -16.046 3.827 0.39 15.00 C ANISOU 3740 CA ALEU A 224 1833 1875 1991 213 -195 -385 C ATOM 3741 CA BLEU A 224 -10.325 -16.043 3.819 0.61 14.46 C ANISOU 3741 CA BLEU A 224 1764 1807 1921 213 -195 -385 C ATOM 3742 C LEU A 224 -9.990 -14.944 2.834 1.00 14.09 C ANISOU 3742 C LEU A 224 1691 1896 1767 187 -181 -408 C ATOM 3743 O LEU A 224 -8.836 -14.842 2.377 1.00 14.79 O ANISOU 3743 O LEU A 224 1767 2069 1784 238 -154 -463 O ATOM 3744 CB ALEU A 224 -10.845 -17.285 3.097 0.39 18.31 C ANISOU 3744 CB ALEU A 224 2299 2198 2461 210 -244 -468 C ATOM 3745 CB BLEU A 224 -10.849 -17.280 3.084 0.61 17.66 C ANISOU 3745 CB BLEU A 224 2217 2116 2377 209 -245 -468 C ATOM 3746 CG ALEU A 224 -9.754 -18.196 2.537 0.39 21.78 C ANISOU 3746 CG ALEU A 224 2769 2638 2867 293 -238 -575 C ATOM 3747 CG BLEU A 224 -10.723 -18.586 3.869 0.61 20.90 C ANISOU 3747 CG BLEU A 224 2662 2394 2887 264 -243 -473 C ATOM 3748 CD1ALEU A 224 -8.980 -18.856 3.671 0.39 23.83 C ANISOU 3748 CD1ALEU A 224 3033 2843 3177 375 -200 -544 C ATOM 3749 CD1BLEU A 224 -11.520 -19.696 3.195 0.61 21.61 C ANISOU 3749 CD1BLEU A 224 2798 2366 3046 232 -296 -547 C ATOM 3750 CD2ALEU A 224 -10.347 -19.237 1.600 0.39 25.62 C ANISOU 3750 CD2ALEU A 224 3309 3040 3388 275 -291 -674 C ATOM 3751 CD2BLEU A 224 -9.256 -18.971 4.019 0.61 23.35 C ANISOU 3751 CD2BLEU A 224 2975 2746 3152 368 -202 -518 C ATOM 0 H ALEU A 224 -12.042 -15.998 4.793 0.39 11.64 H new ATOM 0 H BLEU A 224 -12.040 -16.001 4.796 0.61 11.64 H new ATOM 0 HA ALEU A 224 -9.517 -16.298 4.304 0.39 14.46 H new ATOM 0 HA BLEU A 224 -9.519 -16.297 4.295 0.61 14.46 H new ATOM 0 HB2ALEU A 224 -11.397 -17.798 3.708 0.39 17.66 H new ATOM 0 HB2BLEU A 224 -11.783 -17.139 2.862 0.61 17.66 H new ATOM 0 HB3ALEU A 224 -11.418 -17.000 2.368 0.39 17.66 H new ATOM 0 HB3BLEU A 224 -10.369 -17.372 2.246 0.61 17.66 H new ATOM 0 HG ALEU A 224 -9.135 -17.654 2.023 0.39 20.90 H new ATOM 0 HG BLEU A 224 -11.092 -18.455 4.756 0.61 20.90 H new ATOM 0 HD11ALEU A 224 -8.292 -19.431 3.302 0.39 21.61 H new ATOM 0 HD11BLEU A 224 -11.429 -20.516 3.705 0.61 21.61 H new ATOM 0 HD12ALEU A 224 -8.568 -18.173 4.223 0.39 21.61 H new ATOM 0 HD12BLEU A 224 -12.456 -19.444 3.154 0.61 21.61 H new ATOM 0 HD13ALEU A 224 -9.587 -19.385 4.212 0.39 21.61 H new ATOM 0 HD13BLEU A 224 -11.183 -19.836 2.296 0.61 21.61 H new ATOM 0 HD21ALEU A 224 -9.639 -19.804 1.256 0.39 23.35 H new ATOM 0 HD21BLEU A 224 -9.188 -19.800 4.518 0.61 23.35 H new ATOM 0 HD22ALEU A 224 -10.989 -19.780 2.084 0.39 23.35 H new ATOM 0 HD22BLEU A 224 -8.861 -19.089 3.141 0.61 23.35 H new ATOM 0 HD23ALEU A 224 -10.792 -18.792 0.862 0.39 23.35 H new ATOM 0 HD23BLEU A 224 -8.784 -18.269 4.494 0.61 23.35 H new ATOM 3774 N LYS A 225 -10.973 -14.116 2.507 1.00 10.87 N ANISOU 3774 N LYS A 225 1270 1514 1347 114 -192 -359 N ATOM 3775 CA LYS A 225 -10.734 -13.014 1.601 1.00 10.31 C ANISOU 3775 CA LYS A 225 1173 1568 1178 92 -169 -364 C ATOM 3776 C LYS A 225 -9.882 -11.887 2.203 1.00 10.22 C ANISOU 3776 C LYS A 225 1123 1636 1123 100 -106 -309 C ATOM 3777 O LYS A 225 -9.055 -11.291 1.500 1.00 9.86 O ANISOU 3777 O LYS A 225 1054 1694 998 115 -73 -340 O ATOM 3778 CB LYS A 225 -12.041 -12.548 0.991 1.00 14.34 C ANISOU 3778 CB LYS A 225 1680 2086 1684 22 -199 -328 C ATOM 3779 CG LYS A 225 -12.518 -13.574 -0.074 1.00 19.03 C ANISOU 3779 CG LYS A 225 2303 2649 2278 18 -264 -426 C ATOM 3780 CD LYS A 225 -13.885 -13.301 -0.649 1.00 17.87 C ANISOU 3780 CD LYS A 225 2146 2510 2134 -52 -308 -396 C ATOM 3781 CE LYS A 225 -14.268 -14.392 -1.640 1.00 21.49 C ANISOU 3781 CE LYS A 225 2635 2937 2595 -59 -381 -509 C ATOM 3782 NZ LYS A 225 -15.575 -14.189 -2.222 1.00 18.66 N ANISOU 3782 NZ LYS A 225 2257 2597 2235 -128 -432 -488 N ATOM 0 H LYS A 225 -11.780 -14.177 2.799 1.00 10.87 H new ATOM 0 HA LYS A 225 -10.178 -13.343 0.877 1.00 10.31 H new ATOM 0 HB2 LYS A 225 -12.714 -12.450 1.683 1.00 14.34 H new ATOM 0 HB3 LYS A 225 -11.925 -11.676 0.583 1.00 14.34 H new ATOM 0 HG2 LYS A 225 -11.874 -13.591 -0.799 1.00 19.03 H new ATOM 0 HG3 LYS A 225 -12.520 -14.458 0.325 1.00 19.03 H new ATOM 0 HD2 LYS A 225 -14.541 -13.259 0.065 1.00 17.87 H new ATOM 0 HD3 LYS A 225 -13.891 -12.437 -1.091 1.00 17.87 H new ATOM 0 HE2 LYS A 225 -13.606 -14.427 -2.348 1.00 21.49 H new ATOM 0 HE3 LYS A 225 -14.249 -15.252 -1.191 1.00 21.49 H new ATOM 0 HZ1 LYS A 225 -15.765 -14.865 -2.770 1.00 18.66 H new ATOM 0 HZ2 LYS A 225 -16.186 -14.151 -1.575 1.00 18.66 H new ATOM 0 HZ3 LYS A 225 -15.581 -13.426 -2.680 1.00 18.66 H new ATOM 3796 N PHE A 226 -10.015 -11.643 3.499 1.00 9.04 N ANISOU 3796 N PHE A 226 968 1440 1027 93 -87 -234 N ATOM 3797 CA PHE A 226 -9.096 -10.735 4.172 1.00 8.76 C ANISOU 3797 CA PHE A 226 900 1472 956 102 -35 -201 C ATOM 3798 C PHE A 226 -7.644 -11.208 3.944 1.00 8.46 C ANISOU 3798 C PHE A 226 843 1494 877 170 -22 -277 C ATOM 3799 O PHE A 226 -6.738 -10.421 3.747 1.00 8.11 O ANISOU 3799 O PHE A 226 762 1546 774 170 18 -284 O ATOM 3800 CB PHE A 226 -9.287 -10.731 5.697 1.00 8.53 C ANISOU 3800 CB PHE A 226 873 1380 987 108 -27 -130 C ATOM 3801 CG PHE A 226 -10.506 -9.996 6.229 1.00 7.45 C ANISOU 3801 CG PHE A 226 746 1200 883 51 -20 -34 C ATOM 3802 CD1 PHE A 226 -11.539 -9.529 5.433 1.00 10.67 C ANISOU 3802 CD1 PHE A 226 1161 1612 1283 -3 -29 -6 C ATOM 3803 CD2 PHE A 226 -10.603 -9.771 7.592 1.00 11.14 C ANISOU 3803 CD2 PHE A 226 1215 1630 1386 61 -3 33 C ATOM 3804 CE1 PHE A 226 -12.633 -8.878 5.986 1.00 12.44 C ANISOU 3804 CE1 PHE A 226 1391 1799 1537 -45 -17 92 C ATOM 3805 CE2 PHE A 226 -11.668 -9.098 8.146 1.00 12.63 C ANISOU 3805 CE2 PHE A 226 1417 1782 1601 21 10 125 C ATOM 3806 CZ PHE A 226 -12.663 -8.625 7.330 1.00 9.50 C ANISOU 3806 CZ PHE A 226 1024 1387 1197 -32 6 156 C ATOM 0 H PHE A 226 -10.622 -11.987 4.002 1.00 9.04 H new ATOM 0 HA PHE A 226 -9.272 -9.853 3.808 1.00 8.76 H new ATOM 0 HB2 PHE A 226 -9.333 -11.652 5.999 1.00 8.53 H new ATOM 0 HB3 PHE A 226 -8.497 -10.339 6.100 1.00 8.53 H new ATOM 0 HD1 PHE A 226 -11.499 -9.654 4.512 1.00 10.67 H new ATOM 0 HD2 PHE A 226 -9.928 -10.084 8.150 1.00 11.14 H new ATOM 0 HE1 PHE A 226 -13.342 -8.615 5.445 1.00 12.44 H new ATOM 0 HE2 PHE A 226 -11.712 -8.965 9.065 1.00 12.63 H new ATOM 0 HZ PHE A 226 -13.362 -8.130 7.692 1.00 9.50 H new ATOM 3816 N ARG A 227 -7.432 -12.522 3.978 1.00 8.01 N ANISOU 3816 N ARG A 227 811 1375 855 229 -50 -330 N ATOM 3817 CA ARG A 227 -6.094 -13.108 3.941 1.00 9.86 C ANISOU 3817 CA ARG A 227 1031 1656 1060 309 -34 -390 C ATOM 3818 C ARG A 227 -5.450 -13.087 2.574 1.00 10.24 C ANISOU 3818 C ARG A 227 1072 1790 1030 332 -25 -465 C ATOM 3819 O ARG A 227 -4.306 -13.493 2.436 1.00 11.52 O ANISOU 3819 O ARG A 227 1219 1990 1167 389 -11 -494 O ATOM 3820 CB ARG A 227 -6.148 -14.547 4.471 1.00 10.07 C ANISOU 3820 CB ARG A 227 1095 1575 1157 372 -58 -411 C ATOM 3821 CG ARG A 227 -6.610 -14.665 5.911 1.00 10.50 C ANISOU 3821 CG ARG A 227 1152 1554 1285 372 -58 -330 C ATOM 3822 CD ARG A 227 -6.556 -16.108 6.377 1.00 11.60 C ANISOU 3822 CD ARG A 227 1325 1588 1493 446 -70 -347 C ATOM 3823 NE ARG A 227 -7.107 -16.240 7.716 1.00 9.83 N ANISOU 3823 NE ARG A 227 1103 1290 1340 451 -66 -259 N ATOM 3824 CZ ARG A 227 -8.046 -17.102 8.089 1.00 12.66 C ANISOU 3824 CZ ARG A 227 1500 1516 1793 450 -85 -228 C ATOM 3825 NH1 ARG A 227 -8.493 -18.036 7.253 1.00 14.91 N ANISOU 3825 NH1 ARG A 227 1827 1716 2121 444 -114 -290 N ATOM 3826 NH2 ARG A 227 -8.522 -17.041 9.319 1.00 14.10 N ANISOU 3826 NH2 ARG A 227 1677 1651 2028 457 -74 -135 N ATOM 0 H ARG A 227 -8.065 -13.102 4.024 1.00 8.01 H new ATOM 0 HA ARG A 227 -5.537 -12.553 4.508 1.00 9.86 H new ATOM 0 HB2 ARG A 227 -6.743 -15.066 3.908 1.00 10.07 H new ATOM 0 HB3 ARG A 227 -5.266 -14.943 4.392 1.00 10.07 H new ATOM 0 HG2 ARG A 227 -6.050 -14.115 6.481 1.00 10.50 H new ATOM 0 HG3 ARG A 227 -7.516 -14.328 5.993 1.00 10.50 H new ATOM 0 HD2 ARG A 227 -7.053 -16.670 5.762 1.00 11.60 H new ATOM 0 HD3 ARG A 227 -5.638 -16.421 6.368 1.00 11.60 H new ATOM 0 HE ARG A 227 -6.797 -15.713 8.321 1.00 9.83 H new ATOM 0 HH11 ARG A 227 -8.173 -18.089 6.456 1.00 14.91 H new ATOM 0 HH12 ARG A 227 -9.101 -18.587 7.509 1.00 14.91 H new ATOM 0 HH21 ARG A 227 -8.224 -16.449 9.867 1.00 14.10 H new ATOM 0 HH22 ARG A 227 -9.130 -17.594 9.573 1.00 14.10 H new ATOM 3840 N LYS A 228 -6.190 -12.644 1.561 1.00 9.57 N ANISOU 3840 N LYS A 228 999 1724 912 282 -38 -475 N ATOM 3841 CA LYS A 228 -5.633 -12.492 0.224 1.00 10.50 C ANISOU 3841 CA LYS A 228 1108 1916 964 296 -30 -513 C ATOM 3842 C LYS A 228 -5.056 -11.106 -0.014 1.00 9.01 C ANISOU 3842 C LYS A 228 870 1801 752 250 11 -438 C ATOM 3843 O LYS A 228 -4.409 -10.879 -1.035 1.00 10.49 O ANISOU 3843 O LYS A 228 1044 2036 905 262 21 -442 O ATOM 3844 CB LYS A 228 -6.683 -12.780 -0.842 1.00 12.09 C ANISOU 3844 CB LYS A 228 1348 2099 1146 273 -70 -558 C ATOM 3845 CG LYS A 228 -7.186 -14.216 -0.833 1.00 16.84 C ANISOU 3845 CG LYS A 228 2009 2597 1794 304 -126 -641 C ATOM 3846 CD LYS A 228 -8.282 -14.450 -1.872 1.00 22.07 C ANISOU 3846 CD LYS A 228 2702 3241 2441 262 -180 -685 C ATOM 3847 CE LYS A 228 -7.835 -14.046 -3.270 1.00 26.66 C ANISOU 3847 CE LYS A 228 3270 3911 2948 274 -157 -686 C ATOM 3848 NZ LYS A 228 -8.807 -14.434 -4.329 1.00 31.46 N ANISOU 3848 NZ LYS A 228 3911 4504 3539 245 -210 -733 N ATOM 0 H LYS A 228 -7.019 -12.426 1.629 1.00 9.57 H new ATOM 0 HA LYS A 228 -4.911 -13.137 0.159 1.00 10.50 H new ATOM 0 HB2 LYS A 228 -7.435 -12.181 -0.714 1.00 12.09 H new ATOM 0 HB3 LYS A 228 -6.309 -12.582 -1.715 1.00 12.09 H new ATOM 0 HG2 LYS A 228 -6.445 -14.818 -1.006 1.00 16.84 H new ATOM 0 HG3 LYS A 228 -7.527 -14.432 0.049 1.00 16.84 H new ATOM 0 HD2 LYS A 228 -8.533 -15.387 -1.871 1.00 22.07 H new ATOM 0 HD3 LYS A 228 -9.073 -13.944 -1.627 1.00 22.07 H new ATOM 0 HE2 LYS A 228 -7.703 -13.085 -3.296 1.00 26.66 H new ATOM 0 HE3 LYS A 228 -6.977 -14.456 -3.460 1.00 26.66 H new ATOM 0 HZ1 LYS A 228 -8.663 -13.944 -5.058 1.00 31.46 H new ATOM 0 HZ2 LYS A 228 -8.704 -15.296 -4.526 1.00 31.46 H new ATOM 0 HZ3 LYS A 228 -9.636 -14.294 -4.037 1.00 31.46 H new ATOM 3862 N LEU A 229 -5.295 -10.172 0.889 1.00 8.10 N ANISOU 3862 N LEU A 229 735 1682 659 198 31 -369 N ATOM 3863 CA LEU A 229 -4.690 -8.853 0.781 1.00 8.57 C ANISOU 3863 CA LEU A 229 767 1774 716 150 58 -305 C ATOM 3864 C LEU A 229 -3.174 -8.953 0.918 1.00 9.45 C ANISOU 3864 C LEU A 229 852 1917 820 182 63 -315 C ATOM 3865 O LEU A 229 -2.642 -9.968 1.352 1.00 9.44 O ANISOU 3865 O LEU A 229 852 1913 823 238 52 -353 O ATOM 3866 CB LEU A 229 -5.258 -7.945 1.855 1.00 8.30 C ANISOU 3866 CB LEU A 229 738 1700 716 92 68 -238 C ATOM 3867 CG LEU A 229 -6.702 -7.499 1.651 1.00 9.14 C ANISOU 3867 CG LEU A 229 864 1783 825 49 71 -201 C ATOM 3868 CD1 LEU A 229 -7.270 -6.929 2.939 1.00 8.56 C ANISOU 3868 CD1 LEU A 229 808 1652 793 11 79 -137 C ATOM 3869 CD2 LEU A 229 -6.777 -6.474 0.530 1.00 12.37 C ANISOU 3869 CD2 LEU A 229 1274 2208 1218 20 83 -169 C ATOM 0 H LEU A 229 -5.805 -10.279 1.573 1.00 8.10 H new ATOM 0 HA LEU A 229 -4.893 -8.480 -0.091 1.00 8.57 H new ATOM 0 HB2 LEU A 229 -5.196 -8.403 2.708 1.00 8.30 H new ATOM 0 HB3 LEU A 229 -4.699 -7.155 1.916 1.00 8.30 H new ATOM 0 HG LEU A 229 -7.235 -8.270 1.402 1.00 9.14 H new ATOM 0 HD11 LEU A 229 -8.188 -6.650 2.793 1.00 8.56 H new ATOM 0 HD12 LEU A 229 -7.245 -7.607 3.632 1.00 8.56 H new ATOM 0 HD13 LEU A 229 -6.741 -6.165 3.216 1.00 8.56 H new ATOM 0 HD21 LEU A 229 -7.698 -6.196 0.407 1.00 12.37 H new ATOM 0 HD22 LEU A 229 -6.235 -5.703 0.759 1.00 12.37 H new ATOM 0 HD23 LEU A 229 -6.446 -6.868 -0.292 1.00 12.37 H new ATOM 3881 N ASN A 230 -2.483 -7.886 0.543 1.00 8.68 N ANISOU 3881 N ASN A 230 736 1847 714 148 82 -279 N ATOM 3882 CA ASN A 230 -1.029 -7.850 0.556 1.00 9.66 C ANISOU 3882 CA ASN A 230 831 2015 824 170 90 -287 C ATOM 3883 C ASN A 230 -0.552 -6.704 1.436 1.00 10.68 C ANISOU 3883 C ASN A 230 951 2132 976 114 102 -243 C ATOM 3884 O ASN A 230 -1.127 -5.609 1.406 1.00 10.85 O ANISOU 3884 O ASN A 230 992 2115 1015 61 115 -204 O ATOM 3885 CB ASN A 230 -0.453 -7.590 -0.843 1.00 11.12 C ANISOU 3885 CB ASN A 230 1003 2250 972 187 108 -293 C ATOM 3886 CG ASN A 230 -0.474 -8.792 -1.780 1.00 12.09 C ANISOU 3886 CG ASN A 230 1135 2396 1061 258 96 -350 C ATOM 3887 OD1 ASN A 230 0.011 -8.659 -2.901 1.00 15.15 O ANISOU 3887 OD1 ASN A 230 1515 2829 1414 281 111 -356 O ATOM 3888 ND2 ASN A 230 -1.038 -9.918 -1.375 1.00 10.66 N ANISOU 3888 ND2 ASN A 230 980 2179 890 295 73 -393 N ATOM 0 H ASN A 230 -2.848 -7.156 0.271 1.00 8.68 H new ATOM 0 HA ASN A 230 -0.730 -8.712 0.884 1.00 9.66 H new ATOM 0 HB2 ASN A 230 -0.952 -6.867 -1.255 1.00 11.12 H new ATOM 0 HB3 ASN A 230 0.463 -7.285 -0.750 1.00 11.12 H new ATOM 0 HD21 ASN A 230 -1.076 -10.595 -1.904 1.00 10.66 H new ATOM 0 HD22 ASN A 230 -1.367 -9.973 -0.582 1.00 10.66 H new ATOM 3895 N PHE A 231 0.492 -6.956 2.223 1.00 10.87 N ANISOU 3895 N PHE A 231 950 2184 997 132 96 -254 N ATOM 3896 CA PHE A 231 1.228 -5.911 2.928 1.00 11.61 C ANISOU 3896 CA PHE A 231 1027 2284 1099 86 106 -231 C ATOM 3897 C PHE A 231 2.039 -5.048 1.934 1.00 13.02 C ANISOU 3897 C PHE A 231 1184 2499 1263 68 134 -221 C ATOM 3898 O PHE A 231 2.250 -3.852 2.153 1.00 12.57 O ANISOU 3898 O PHE A 231 1118 2445 1212 16 150 -202 O ATOM 3899 CB PHE A 231 2.240 -6.522 3.915 1.00 11.39 C ANISOU 3899 CB PHE A 231 968 2301 1060 119 90 -251 C ATOM 3900 CG PHE A 231 1.650 -7.080 5.208 1.00 11.02 C ANISOU 3900 CG PHE A 231 940 2218 1031 132 69 -249 C ATOM 3901 CD1 PHE A 231 0.879 -6.298 6.057 1.00 10.62 C ANISOU 3901 CD1 PHE A 231 916 2115 1006 82 69 -221 C ATOM 3902 CD2 PHE A 231 1.990 -8.365 5.625 1.00 11.65 C ANISOU 3902 CD2 PHE A 231 1011 2315 1100 204 54 -271 C ATOM 3903 CE1 PHE A 231 0.435 -6.810 7.282 1.00 10.32 C ANISOU 3903 CE1 PHE A 231 891 2052 981 102 54 -213 C ATOM 3904 CE2 PHE A 231 1.537 -8.896 6.826 1.00 11.64 C ANISOU 3904 CE2 PHE A 231 1027 2281 1117 227 41 -262 C ATOM 3905 CZ PHE A 231 0.768 -8.114 7.651 1.00 10.28 C ANISOU 3905 CZ PHE A 231 874 2065 965 175 41 -232 C ATOM 0 H PHE A 231 0.796 -7.748 2.364 1.00 10.87 H new ATOM 0 HA PHE A 231 0.571 -5.374 3.398 1.00 11.61 H new ATOM 0 HB2 PHE A 231 2.718 -7.235 3.463 1.00 11.39 H new ATOM 0 HB3 PHE A 231 2.894 -5.843 4.144 1.00 11.39 H new ATOM 0 HD1 PHE A 231 0.656 -5.429 5.811 1.00 10.62 H new ATOM 0 HD2 PHE A 231 2.538 -8.884 5.082 1.00 11.65 H new ATOM 0 HE1 PHE A 231 -0.081 -6.282 7.848 1.00 10.32 H new ATOM 0 HE2 PHE A 231 1.752 -9.768 7.067 1.00 11.64 H new ATOM 0 HZ PHE A 231 0.467 -8.456 8.462 1.00 10.28 H new ATOM 3915 N ASN A 232 2.564 -5.682 0.889 1.00 11.38 N ANISOU 3915 N ASN A 232 958 2342 1025 118 141 -242 N ATOM 3916 CA ASN A 232 3.440 -5.017 -0.082 1.00 14.93 C ANISOU 3916 CA ASN A 232 1378 2842 1452 115 171 -232 C ATOM 3917 C ASN A 232 2.677 -4.141 -1.063 1.00 14.61 C ANISOU 3917 C ASN A 232 1356 2784 1410 87 193 -205 C ATOM 3918 O ASN A 232 1.456 -4.277 -1.237 1.00 13.04 O ANISOU 3918 O ASN A 232 1194 2538 1221 81 182 -199 O ATOM 3919 CB ASN A 232 4.156 -6.094 -0.876 1.00 15.13 C ANISOU 3919 CB ASN A 232 1385 2924 1442 190 171 -261 C ATOM 3920 CG ASN A 232 3.158 -7.075 -1.486 1.00 12.62 C ANISOU 3920 CG ASN A 232 1100 2584 1110 234 153 -289 C ATOM 3921 OD1 ASN A 232 2.669 -7.977 -0.806 1.00 14.58 O ANISOU 3921 OD1 ASN A 232 1365 2804 1369 259 127 -314 O ATOM 3922 ND2 ASN A 232 2.871 -6.896 -2.772 1.00 17.29 N ANISOU 3922 ND2 ASN A 232 1702 3190 1677 247 169 -288 N ATOM 0 H ASN A 232 2.423 -6.513 0.720 1.00 11.38 H new ATOM 0 HA ASN A 232 4.050 -4.446 0.411 1.00 14.93 H new ATOM 0 HB2 ASN A 232 4.685 -5.685 -1.579 1.00 15.13 H new ATOM 0 HB3 ASN A 232 4.772 -6.571 -0.299 1.00 15.13 H new ATOM 0 HD21 ASN A 232 2.320 -7.425 -3.167 1.00 17.29 H new ATOM 0 HD22 ASN A 232 3.237 -6.252 -3.209 1.00 17.29 H new ATOM 3929 N GLY A 233 3.420 -3.247 -1.710 1.00 14.44 N ANISOU 3929 N GLY A 233 1306 2805 1377 72 227 -185 N ATOM 3930 CA GLY A 233 2.933 -2.458 -2.823 1.00 15.18 C ANISOU 3930 CA GLY A 233 1410 2896 1461 62 257 -156 C ATOM 3931 C GLY A 233 2.890 -3.263 -4.110 1.00 16.51 C ANISOU 3931 C GLY A 233 1581 3105 1588 126 257 -173 C ATOM 3932 O GLY A 233 3.469 -4.371 -4.224 1.00 17.06 O ANISOU 3932 O GLY A 233 1640 3207 1635 181 243 -208 O ATOM 0 H GLY A 233 4.239 -3.083 -1.505 1.00 14.44 H new ATOM 0 HA2 GLY A 233 2.045 -2.126 -2.620 1.00 15.18 H new ATOM 0 HA3 GLY A 233 3.504 -1.684 -2.945 1.00 15.18 H new ATOM 3936 N GLU A 234 2.199 -2.705 -5.095 1.00 14.56 N ANISOU 3936 N GLU A 234 1349 2857 1326 125 275 -149 N ATOM 3937 CA GLU A 234 2.084 -3.306 -6.398 1.00 14.05 C ANISOU 3937 CA GLU A 234 1288 2836 1214 184 277 -164 C ATOM 3938 C GLU A 234 3.468 -3.451 -7.031 1.00 19.50 C ANISOU 3938 C GLU A 234 1939 3599 1872 228 304 -169 C ATOM 3939 O GLU A 234 4.284 -2.541 -6.969 1.00 20.46 O ANISOU 3939 O GLU A 234 2028 3741 2005 202 341 -137 O ATOM 3940 CB GLU A 234 1.184 -2.438 -7.284 1.00 13.78 C ANISOU 3940 CB GLU A 234 1269 2798 1168 171 296 -127 C ATOM 3941 CG GLU A 234 0.903 -3.021 -8.629 1.00 15.73 C ANISOU 3941 CG GLU A 234 1522 3095 1359 232 293 -145 C ATOM 3942 CD GLU A 234 0.114 -2.093 -9.524 1.00 19.27 C ANISOU 3942 CD GLU A 234 1977 3553 1790 225 314 -101 C ATOM 3943 OE1 GLU A 234 -0.170 -0.922 -9.141 1.00 19.32 O ANISOU 3943 OE1 GLU A 234 1987 3523 1833 174 338 -53 O ATOM 3944 OE2 GLU A 234 -0.245 -2.564 -10.616 1.00 19.91 O ANISOU 3944 OE2 GLU A 234 2065 3680 1821 276 305 -119 O ATOM 0 H GLU A 234 1.781 -1.957 -5.017 1.00 14.56 H new ATOM 0 HA GLU A 234 1.689 -4.188 -6.312 1.00 14.05 H new ATOM 0 HB2 GLU A 234 0.342 -2.289 -6.825 1.00 13.78 H new ATOM 0 HB3 GLU A 234 1.601 -1.570 -7.400 1.00 13.78 H new ATOM 0 HG2 GLU A 234 1.743 -3.242 -9.061 1.00 15.73 H new ATOM 0 HG3 GLU A 234 0.413 -3.851 -8.520 1.00 15.73 H new ATOM 3951 N GLY A 235 3.721 -4.595 -7.642 1.00 20.30 N ANISOU 3951 N GLY A 235 2044 3734 1934 297 290 -209 N ATOM 3952 CA GLY A 235 4.999 -4.824 -8.301 1.00 21.85 C ANISOU 3952 CA GLY A 235 2206 4002 2094 351 316 -212 C ATOM 3953 C GLY A 235 6.124 -5.262 -7.372 1.00 24.18 C ANISOU 3953 C GLY A 235 2470 4313 2405 358 313 -225 C ATOM 3954 O GLY A 235 7.262 -5.429 -7.818 1.00 23.99 O ANISOU 3954 O GLY A 235 2410 4352 2353 402 337 -221 O ATOM 0 H GLY A 235 3.169 -5.253 -7.688 1.00 20.30 H new ATOM 0 HA2 GLY A 235 4.879 -5.501 -8.986 1.00 21.85 H new ATOM 0 HA3 GLY A 235 5.267 -4.008 -8.752 1.00 21.85 H new ATOM 3958 N GLU A 236 5.807 -5.461 -6.091 1.00 21.34 N ANISOU 3958 N GLU A 236 2120 3901 2086 319 283 -236 N ATOM 3959 CA GLU A 236 6.772 -5.949 -5.112 1.00 17.50 C ANISOU 3959 CA GLU A 236 1604 3432 1612 329 273 -249 C ATOM 3960 C GLU A 236 6.481 -7.391 -4.767 1.00 24.00 C ANISOU 3960 C GLU A 236 2454 4241 2425 388 236 -297 C ATOM 3961 O GLU A 236 5.385 -7.889 -5.004 1.00 22.20 O ANISOU 3961 O GLU A 236 2268 3972 2194 399 214 -322 O ATOM 3962 CB GLU A 236 6.696 -5.107 -3.844 1.00 21.25 C ANISOU 3962 CB GLU A 236 2068 3874 2132 251 266 -230 C ATOM 3963 CG GLU A 236 7.072 -3.681 -4.063 1.00 19.24 C ANISOU 3963 CG GLU A 236 1784 3636 1891 195 306 -189 C ATOM 3964 CD GLU A 236 6.775 -2.809 -2.877 1.00 26.42 C ANISOU 3964 CD GLU A 236 2698 4498 2844 118 300 -177 C ATOM 3965 OE1 GLU A 236 6.375 -3.357 -1.816 1.00 23.30 O ANISOU 3965 OE1 GLU A 236 2321 4067 2464 111 261 -198 O ATOM 3966 OE2 GLU A 236 6.933 -1.576 -3.018 1.00 27.44 O ANISOU 3966 OE2 GLU A 236 2812 4620 2993 67 337 -146 O ATOM 0 H GLU A 236 5.024 -5.316 -5.768 1.00 21.34 H new ATOM 0 HA GLU A 236 7.661 -5.883 -5.495 1.00 17.50 H new ATOM 0 HB2 GLU A 236 5.794 -5.147 -3.490 1.00 21.25 H new ATOM 0 HB3 GLU A 236 7.282 -5.490 -3.172 1.00 21.25 H new ATOM 0 HG2 GLU A 236 8.019 -3.629 -4.268 1.00 19.24 H new ATOM 0 HG3 GLU A 236 6.595 -3.341 -4.836 1.00 19.24 H new ATOM 3973 N PRO A 237 7.471 -8.087 -4.198 1.00 19.96 N ANISOU 3973 N PRO A 237 1914 3768 1904 430 230 -311 N ATOM 3974 CA PRO A 237 7.236 -9.460 -3.764 1.00 20.30 C ANISOU 3974 CA PRO A 237 1983 3791 1940 492 199 -355 C ATOM 3975 C PRO A 237 6.006 -9.556 -2.852 1.00 20.73 C ANISOU 3975 C PRO A 237 2073 3769 2035 450 168 -364 C ATOM 3976 O PRO A 237 5.835 -8.760 -1.926 1.00 18.99 O ANISOU 3976 O PRO A 237 1841 3526 1848 381 163 -336 O ATOM 3977 CB PRO A 237 8.520 -9.810 -3.001 1.00 21.58 C ANISOU 3977 CB PRO A 237 2100 4005 2095 524 202 -349 C ATOM 3978 CG PRO A 237 9.575 -8.956 -3.646 1.00 26.57 C ANISOU 3978 CG PRO A 237 2682 4705 2708 511 239 -316 C ATOM 3979 CD PRO A 237 8.869 -7.663 -3.973 1.00 22.76 C ANISOU 3979 CD PRO A 237 2210 4187 2252 428 254 -287 C ATOM 0 HA PRO A 237 7.054 -10.064 -4.501 1.00 20.30 H new ATOM 0 HB2 PRO A 237 8.435 -9.614 -2.055 1.00 21.58 H new ATOM 0 HB3 PRO A 237 8.732 -10.753 -3.077 1.00 21.58 H new ATOM 0 HG2 PRO A 237 10.324 -8.808 -3.047 1.00 26.57 H new ATOM 0 HG3 PRO A 237 9.930 -9.376 -4.445 1.00 26.57 H new ATOM 0 HD2 PRO A 237 8.937 -7.024 -3.246 1.00 22.76 H new ATOM 0 HD3 PRO A 237 9.245 -7.239 -4.760 1.00 22.76 H new ATOM 3987 N GLU A 238 5.183 -10.558 -3.099 1.00 17.42 N ANISOU 3987 N GLU A 238 1699 3307 1611 493 149 -405 N ATOM 3988 CA GLU A 238 3.921 -10.679 -2.380 1.00 18.00 C ANISOU 3988 CA GLU A 238 1808 3310 1723 457 124 -412 C ATOM 3989 C GLU A 238 4.119 -11.213 -0.963 1.00 19.85 C ANISOU 3989 C GLU A 238 2037 3519 1985 467 107 -412 C ATOM 3990 O GLU A 238 4.671 -12.285 -0.748 1.00 17.83 O ANISOU 3990 O GLU A 238 1787 3266 1720 538 103 -437 O ATOM 3991 CB GLU A 238 2.997 -11.618 -3.136 1.00 17.95 C ANISOU 3991 CB GLU A 238 1853 3264 1704 501 109 -463 C ATOM 3992 CG GLU A 238 1.630 -11.724 -2.511 1.00 19.21 C ANISOU 3992 CG GLU A 238 2045 3352 1901 462 85 -471 C ATOM 3993 CD GLU A 238 0.628 -12.439 -3.378 1.00 23.48 C ANISOU 3993 CD GLU A 238 2637 3857 2427 488 67 -525 C ATOM 3994 OE1 GLU A 238 1.031 -13.162 -4.314 1.00 29.13 O ANISOU 3994 OE1 GLU A 238 3373 4589 3104 550 68 -570 O ATOM 3995 OE2 GLU A 238 -0.580 -12.269 -3.142 1.00 16.78 O ANISOU 3995 OE2 GLU A 238 1810 2964 1602 445 51 -525 O ATOM 0 H GLU A 238 5.331 -11.178 -3.676 1.00 17.42 H new ATOM 0 HA GLU A 238 3.533 -9.792 -2.317 1.00 18.00 H new ATOM 0 HB2 GLU A 238 2.906 -11.308 -4.051 1.00 17.95 H new ATOM 0 HB3 GLU A 238 3.400 -12.500 -3.174 1.00 17.95 H new ATOM 0 HG2 GLU A 238 1.705 -12.190 -1.664 1.00 19.21 H new ATOM 0 HG3 GLU A 238 1.301 -10.832 -2.316 1.00 19.21 H new ATOM 4002 N GLU A 239 3.604 -10.470 0.001 1.00 15.20 N ANISOU 4002 N GLU A 239 1638 2533 1603 315 144 -282 N ATOM 4003 CA GLU A 239 3.600 -10.881 1.391 1.00 14.09 C ANISOU 4003 CA GLU A 239 1510 2330 1515 313 109 -285 C ATOM 4004 C GLU A 239 2.171 -10.741 1.870 1.00 10.80 C ANISOU 4004 C GLU A 239 1154 1821 1129 283 87 -255 C ATOM 4005 O GLU A 239 1.652 -9.633 1.936 1.00 14.87 O ANISOU 4005 O GLU A 239 1683 2322 1647 227 109 -210 O ATOM 4006 CB GLU A 239 4.512 -9.991 2.221 1.00 18.88 C ANISOU 4006 CB GLU A 239 2073 2964 2135 267 134 -258 C ATOM 4007 CG GLU A 239 4.784 -10.529 3.630 1.00 21.94 C ANISOU 4007 CG GLU A 239 2463 3305 2567 278 97 -270 C ATOM 4008 CD GLU A 239 5.479 -11.888 3.626 1.00 23.07 C ANISOU 4008 CD GLU A 239 2590 3467 2710 355 64 -328 C ATOM 4009 OE1 GLU A 239 4.827 -12.870 4.044 1.00 23.87 O ANISOU 4009 OE1 GLU A 239 2736 3498 2834 389 19 -345 O ATOM 4010 OE2 GLU A 239 6.659 -11.981 3.205 1.00 25.13 O ANISOU 4010 OE2 GLU A 239 2793 3811 2946 383 82 -357 O ATOM 0 H GLU A 239 3.242 -9.702 -0.136 1.00 15.20 H new ATOM 0 HA GLU A 239 3.923 -11.791 1.483 1.00 14.09 H new ATOM 0 HB2 GLU A 239 5.356 -9.884 1.756 1.00 18.88 H new ATOM 0 HB3 GLU A 239 4.113 -9.110 2.292 1.00 18.88 H new ATOM 0 HG2 GLU A 239 5.333 -9.892 4.114 1.00 21.94 H new ATOM 0 HG3 GLU A 239 3.945 -10.602 4.110 1.00 21.94 H new ATOM 4017 N LEU A 240 1.527 -11.840 2.147 1.00 12.91 N ANISOU 4017 N LEU A 240 1458 2028 1419 320 42 -281 N ATOM 4018 CA ALEU A 240 0.126 -11.788 2.480 0.67 12.16 C ANISOU 4018 CA ALEU A 240 1416 1855 1351 293 22 -257 C ATOM 4019 CA BLEU A 240 0.120 -11.801 2.497 0.33 12.75 C ANISOU 4019 CA BLEU A 240 1491 1928 1426 293 21 -257 C ATOM 4020 C LEU A 240 -0.110 -10.969 3.758 1.00 7.95 C ANISOU 4020 C LEU A 240 888 1282 850 237 28 -214 C ATOM 4021 O LEU A 240 0.630 -11.091 4.739 1.00 8.80 O ANISOU 4021 O LEU A 240 977 1390 977 238 20 -216 O ATOM 4022 CB ALEU A 240 -0.421 -13.205 2.641 0.67 11.62 C ANISOU 4022 CB ALEU A 240 1381 1727 1306 339 -29 -292 C ATOM 4023 CB BLEU A 240 -0.425 -13.217 2.706 0.33 12.90 C ANISOU 4023 CB BLEU A 240 1544 1887 1470 338 -30 -292 C ATOM 4024 CG ALEU A 240 -0.436 -14.125 1.418 0.67 14.14 C ANISOU 4024 CG ALEU A 240 1706 2068 1599 399 -47 -342 C ATOM 4025 CG BLEU A 240 -0.787 -14.092 1.498 0.33 16.12 C ANISOU 4025 CG BLEU A 240 1968 2300 1857 389 -52 -335 C ATOM 4026 CD1ALEU A 240 -0.991 -15.493 1.818 0.67 16.99 C ANISOU 4026 CD1ALEU A 240 2106 2354 1997 434 -105 -372 C ATOM 4027 CD1BLEU A 240 -1.140 -13.237 0.284 0.33 15.26 C ANISOU 4027 CD1BLEU A 240 1855 2238 1705 374 -17 -322 C ATOM 4028 CD2ALEU A 240 -1.296 -13.507 0.332 0.67 12.22 C ANISOU 4028 CD2ALEU A 240 1478 1838 1327 381 -28 -328 C ATOM 4029 CD2BLEU A 240 0.317 -15.070 1.164 0.33 12.12 C ANISOU 4029 CD2BLEU A 240 1435 1835 1336 457 -68 -390 C ATOM 0 H ALEU A 240 1.875 -12.626 2.150 0.67 12.91 H new ATOM 0 H BLEU A 240 1.878 -12.625 2.141 0.33 12.91 H new ATOM 0 HA ALEU A 240 -0.346 -11.347 1.756 0.67 12.75 H new ATOM 0 HA BLEU A 240 -0.354 -11.385 1.760 0.33 12.75 H new ATOM 0 HB2ALEU A 240 0.096 -13.644 3.334 0.67 12.90 H new ATOM 0 HB2BLEU A 240 0.232 -13.704 3.227 0.33 12.90 H new ATOM 0 HB3ALEU A 240 -1.331 -13.134 2.968 0.67 12.90 H new ATOM 0 HB3BLEU A 240 -1.221 -13.140 3.254 0.33 12.90 H new ATOM 0 HG ALEU A 240 0.466 -14.237 1.080 0.67 16.12 H new ATOM 0 HG BLEU A 240 -1.571 -14.608 1.743 0.33 16.12 H new ATOM 0 HD11ALEU A 240 -1.001 -16.077 1.044 0.67 15.26 H new ATOM 0 HD11BLEU A 240 -1.364 -13.813 -0.464 0.33 15.26 H new ATOM 0 HD12ALEU A 240 -0.430 -15.881 2.508 0.67 15.26 H new ATOM 0 HD12BLEU A 240 -1.900 -12.672 0.496 0.33 15.26 H new ATOM 0 HD13ALEU A 240 -1.894 -15.390 2.156 0.67 15.26 H new ATOM 0 HD13BLEU A 240 -0.381 -12.682 0.047 0.33 15.26 H new ATOM 0 HD21ALEU A 240 -1.306 -14.089 -0.444 0.67 12.12 H new ATOM 0 HD21BLEU A 240 0.055 -15.605 0.398 0.33 12.12 H new ATOM 0 HD22ALEU A 240 -2.201 -13.392 0.662 0.67 12.12 H new ATOM 0 HD22BLEU A 240 1.129 -14.583 0.955 0.33 12.12 H new ATOM 0 HD23ALEU A 240 -0.932 -12.643 0.083 0.67 12.12 H new ATOM 0 HD23BLEU A 240 0.476 -15.651 1.924 0.33 12.12 H new ATOM 4052 N MET A 241 -1.149 -10.136 3.721 1.00 7.96 N ANISOU 4052 N MET A 241 916 1251 855 194 38 -178 N ATOM 4053 CA MET A 241 -1.568 -9.378 4.884 1.00 6.76 C ANISOU 4053 CA MET A 241 776 1059 733 147 40 -142 C ATOM 4054 C MET A 241 -2.354 -10.297 5.803 1.00 7.00 C ANISOU 4054 C MET A 241 841 1022 798 157 1 -147 C ATOM 4055 O MET A 241 -3.568 -10.471 5.661 1.00 7.47 O ANISOU 4055 O MET A 241 933 1039 868 150 -12 -140 O ATOM 4056 CB MET A 241 -2.396 -8.168 4.448 1.00 7.62 C ANISOU 4056 CB MET A 241 902 1161 833 104 62 -107 C ATOM 4057 CG MET A 241 -2.816 -7.266 5.598 1.00 7.12 C ANISOU 4057 CG MET A 241 850 1060 797 58 63 -74 C ATOM 4058 SD MET A 241 -3.786 -5.854 5.087 1.00 7.87 S ANISOU 4058 SD MET A 241 966 1140 882 16 82 -37 S ATOM 4059 CE MET A 241 -2.474 -4.809 4.490 1.00 9.62 C ANISOU 4059 CE MET A 241 1152 1426 1078 -10 120 -19 C ATOM 0 H MET A 241 -1.627 -9.999 3.019 1.00 7.96 H new ATOM 0 HA MET A 241 -0.797 -9.041 5.367 1.00 6.76 H new ATOM 0 HB2 MET A 241 -1.882 -7.648 3.811 1.00 7.62 H new ATOM 0 HB3 MET A 241 -3.190 -8.479 3.986 1.00 7.62 H new ATOM 0 HG2 MET A 241 -3.329 -7.787 6.236 1.00 7.12 H new ATOM 0 HG3 MET A 241 -2.022 -6.953 6.060 1.00 7.12 H new ATOM 0 HE1 MET A 241 -2.349 -4.065 5.100 1.00 9.62 H new ATOM 0 HE2 MET A 241 -1.652 -5.321 4.433 1.00 9.62 H new ATOM 0 HE3 MET A 241 -2.704 -4.470 3.611 1.00 9.62 H new ATOM 4069 N VAL A 242 -1.611 -10.961 6.691 1.00 7.31 N ANISOU 4069 N VAL A 242 869 1056 853 177 -17 -161 N ATOM 4070 CA VAL A 242 -2.161 -11.831 7.708 1.00 7.17 C ANISOU 4070 CA VAL A 242 881 978 865 184 -53 -159 C ATOM 4071 C VAL A 242 -1.364 -11.605 8.989 1.00 6.77 C ANISOU 4071 C VAL A 242 813 931 826 174 -54 -148 C ATOM 4072 O VAL A 242 -0.210 -11.172 8.940 1.00 7.52 O ANISOU 4072 O VAL A 242 869 1078 909 178 -38 -158 O ATOM 4073 CB VAL A 242 -2.082 -13.338 7.338 1.00 8.19 C ANISOU 4073 CB VAL A 242 1026 1086 1001 238 -91 -197 C ATOM 4074 CG1 VAL A 242 -3.008 -13.648 6.150 1.00 8.89 C ANISOU 4074 CG1 VAL A 242 1135 1161 1080 248 -97 -211 C ATOM 4075 CG2 VAL A 242 -0.640 -13.777 7.037 1.00 8.64 C ANISOU 4075 CG2 VAL A 242 1046 1195 1041 284 -93 -233 C ATOM 0 H VAL A 242 -0.753 -10.911 6.712 1.00 7.31 H new ATOM 0 HA VAL A 242 -3.101 -11.614 7.808 1.00 7.17 H new ATOM 0 HB VAL A 242 -2.382 -13.847 8.107 1.00 8.19 H new ATOM 0 HG11 VAL A 242 -2.948 -14.591 5.930 1.00 8.89 H new ATOM 0 HG12 VAL A 242 -3.923 -13.429 6.387 1.00 8.89 H new ATOM 0 HG13 VAL A 242 -2.738 -13.120 5.382 1.00 8.89 H new ATOM 0 HG21 VAL A 242 -0.629 -14.720 6.811 1.00 8.64 H new ATOM 0 HG22 VAL A 242 -0.294 -13.262 6.291 1.00 8.64 H new ATOM 0 HG23 VAL A 242 -0.086 -13.626 7.819 1.00 8.64 H new ATOM 4085 N ASP A 243 -1.962 -11.930 10.130 1.00 6.24 N ANISOU 4085 N ASP A 243 774 814 782 161 -75 -130 N ATOM 4086 CA ASP A 243 -1.330 -11.785 11.430 1.00 5.52 C ANISOU 4086 CA ASP A 243 673 724 700 155 -83 -119 C ATOM 4087 C ASP A 243 -0.867 -10.356 11.650 1.00 5.90 C ANISOU 4087 C ASP A 243 691 810 740 117 -51 -104 C ATOM 4088 O ASP A 243 0.225 -10.089 12.132 1.00 7.29 O ANISOU 4088 O ASP A 243 837 1019 914 121 -49 -112 O ATOM 4089 CB ASP A 243 -0.238 -12.812 11.622 1.00 7.22 C ANISOU 4089 CB ASP A 243 876 950 916 204 -110 -149 C ATOM 4090 CG ASP A 243 -0.796 -14.201 11.691 1.00 6.58 C ANISOU 4090 CG ASP A 243 835 814 851 235 -150 -157 C ATOM 4091 OD1 ASP A 243 -1.837 -14.420 12.362 1.00 6.79 O ANISOU 4091 OD1 ASP A 243 897 789 893 210 -161 -129 O ATOM 4092 OD2 ASP A 243 -0.240 -15.104 11.036 1.00 8.27 O ANISOU 4092 OD2 ASP A 243 1044 1035 1062 284 -171 -193 O ATOM 0 H ASP A 243 -2.761 -12.246 10.168 1.00 6.24 H new ATOM 0 HA ASP A 243 -1.987 -11.965 12.121 1.00 5.52 H new ATOM 0 HB2 ASP A 243 0.396 -12.753 10.890 1.00 7.22 H new ATOM 0 HB3 ASP A 243 0.251 -12.618 12.437 1.00 7.22 H new ATOM 4097 N ASN A 244 -1.747 -9.426 11.317 1.00 5.45 N ANISOU 4097 N ASN A 244 646 744 681 81 -29 -83 N ATOM 4098 CA ASN A 244 -1.473 -7.998 11.524 1.00 5.97 C ANISOU 4098 CA ASN A 244 692 833 743 41 -3 -65 C ATOM 4099 C ASN A 244 -2.049 -7.538 12.859 1.00 5.47 C ANISOU 4099 C ASN A 244 647 739 694 16 -11 -45 C ATOM 4100 O ASN A 244 -2.661 -6.485 12.968 1.00 6.78 O ANISOU 4100 O ASN A 244 820 894 861 -17 2 -27 O ATOM 4101 CB ASN A 244 -2.031 -7.171 10.373 1.00 5.27 C ANISOU 4101 CB ASN A 244 607 753 641 19 21 -54 C ATOM 4102 CG ASN A 244 -3.531 -7.309 10.220 1.00 6.34 C ANISOU 4102 CG ASN A 244 780 845 783 13 14 -42 C ATOM 4103 OD1 ASN A 244 -4.153 -8.206 10.755 1.00 6.77 O ANISOU 4103 OD1 ASN A 244 857 865 851 26 -8 -45 O ATOM 4104 ND2 ASN A 244 -4.121 -6.399 9.478 1.00 7.62 N ANISOU 4104 ND2 ASN A 244 949 1009 936 -9 31 -28 N ATOM 0 H ASN A 244 -2.515 -9.594 10.968 1.00 5.45 H new ATOM 0 HA ASN A 244 -0.512 -7.866 11.546 1.00 5.97 H new ATOM 0 HB2 ASN A 244 -1.810 -6.237 10.515 1.00 5.27 H new ATOM 0 HB3 ASN A 244 -1.600 -7.442 9.547 1.00 5.27 H new ATOM 0 HD21 ASN A 244 -4.972 -6.427 9.359 1.00 7.62 H new ATOM 0 HD22 ASN A 244 -3.656 -5.775 9.111 1.00 7.62 H new ATOM 4111 N TRP A 245 -1.791 -8.315 13.909 1.00 5.79 N ANISOU 4111 N TRP A 245 694 764 741 34 -35 -49 N ATOM 4112 CA TRP A 245 -2.247 -8.044 15.266 1.00 5.17 C ANISOU 4112 CA TRP A 245 632 664 670 18 -45 -32 C ATOM 4113 C TRP A 245 -1.038 -7.921 16.205 1.00 5.53 C ANISOU 4113 C TRP A 245 654 734 715 26 -56 -42 C ATOM 4114 O TRP A 245 -0.053 -8.651 16.093 1.00 6.30 O ANISOU 4114 O TRP A 245 733 850 810 58 -70 -61 O ATOM 4115 CB TRP A 245 -3.175 -9.176 15.770 1.00 4.98 C ANISOU 4115 CB TRP A 245 644 597 652 31 -66 -21 C ATOM 4116 CG TRP A 245 -2.674 -10.554 15.594 1.00 6.05 C ANISOU 4116 CG TRP A 245 786 722 790 70 -92 -36 C ATOM 4117 CD1 TRP A 245 -2.783 -11.331 14.463 1.00 6.04 C ANISOU 4117 CD1 TRP A 245 790 714 792 93 -98 -52 C ATOM 4118 CD2 TRP A 245 -2.059 -11.399 16.581 1.00 5.38 C ANISOU 4118 CD2 TRP A 245 708 628 707 95 -120 -36 C ATOM 4119 NE1 TRP A 245 -2.237 -12.565 14.668 1.00 6.09 N ANISOU 4119 NE1 TRP A 245 805 705 803 132 -130 -66 N ATOM 4120 CE2 TRP A 245 -1.796 -12.632 15.955 1.00 6.11 C ANISOU 4120 CE2 TRP A 245 811 705 806 133 -144 -55 C ATOM 4121 CE3 TRP A 245 -1.708 -11.240 17.932 1.00 6.84 C ANISOU 4121 CE3 TRP A 245 895 816 887 93 -131 -25 C ATOM 4122 CZ2 TRP A 245 -1.199 -13.687 16.619 1.00 8.26 C ANISOU 4122 CZ2 TRP A 245 1096 961 1082 169 -179 -60 C ATOM 4123 CZ3 TRP A 245 -1.136 -12.289 18.591 1.00 7.89 C ANISOU 4123 CZ3 TRP A 245 1041 936 1020 127 -164 -27 C ATOM 4124 CH2 TRP A 245 -0.864 -13.494 17.936 1.00 9.52 C ANISOU 4124 CH2 TRP A 245 1258 1123 1235 164 -189 -44 C ATOM 0 H TRP A 245 -1.330 -9.038 13.846 1.00 5.79 H new ATOM 0 HA TRP A 245 -2.745 -7.212 15.260 1.00 5.17 H new ATOM 0 HB2 TRP A 245 -3.347 -9.032 16.714 1.00 4.98 H new ATOM 0 HB3 TRP A 245 -4.026 -9.100 15.311 1.00 4.98 H new ATOM 0 HD1 TRP A 245 -3.175 -11.053 13.667 1.00 6.04 H new ATOM 0 HE1 TRP A 245 -2.181 -13.194 14.084 1.00 6.09 H new ATOM 0 HE3 TRP A 245 -1.863 -10.434 18.369 1.00 6.84 H new ATOM 0 HZ2 TRP A 245 -1.031 -14.495 16.191 1.00 8.26 H new ATOM 0 HZ3 TRP A 245 -0.923 -12.201 19.492 1.00 7.89 H new ATOM 0 HH2 TRP A 245 -0.446 -14.181 18.404 1.00 9.52 H new ATOM 4135 N ARG A 246 -1.152 -7.013 17.161 1.00 5.73 N ANISOU 4135 N ARG A 246 679 758 740 1 -54 -31 N ATOM 4136 CA ARG A 246 -0.204 -6.880 18.264 1.00 5.89 C ANISOU 4136 CA ARG A 246 681 796 759 8 -70 -40 C ATOM 4137 C ARG A 246 -0.676 -7.799 19.386 1.00 5.71 C ANISOU 4137 C ARG A 246 691 748 731 28 -94 -28 C ATOM 4138 O ARG A 246 -1.861 -7.785 19.726 1.00 6.49 O ANISOU 4138 O ARG A 246 819 819 827 13 -89 -8 O ATOM 4139 CB ARG A 246 -0.182 -5.431 18.759 1.00 5.86 C ANISOU 4139 CB ARG A 246 667 801 758 -27 -60 -38 C ATOM 4140 CG ARG A 246 0.919 -5.179 19.767 1.00 5.81 C ANISOU 4140 CG ARG A 246 636 819 751 -22 -78 -53 C ATOM 4141 CD ARG A 246 0.863 -3.822 20.393 1.00 6.16 C ANISOU 4141 CD ARG A 246 675 864 800 -54 -76 -54 C ATOM 4142 NE ARG A 246 2.110 -3.539 21.083 1.00 5.82 N ANISOU 4142 NE ARG A 246 599 850 761 -51 -94 -75 N ATOM 4143 CZ ARG A 246 2.330 -2.528 21.924 1.00 5.93 C ANISOU 4143 CZ ARG A 246 607 868 780 -71 -105 -84 C ATOM 4144 NH1 ARG A 246 1.361 -1.737 22.307 1.00 6.40 N ANISOU 4144 NH1 ARG A 246 692 901 837 -89 -101 -76 N ATOM 4145 NH2 ARG A 246 3.551 -2.324 22.426 1.00 7.53 N ANISOU 4145 NH2 ARG A 246 774 1100 988 -69 -123 -106 N ATOM 0 H ARG A 246 -1.795 -6.443 17.191 1.00 5.73 H new ATOM 0 HA ARG A 246 0.691 -7.119 17.976 1.00 5.89 H new ATOM 0 HB2 ARG A 246 -0.066 -4.836 18.002 1.00 5.86 H new ATOM 0 HB3 ARG A 246 -1.039 -5.216 19.160 1.00 5.86 H new ATOM 0 HG2 ARG A 246 0.867 -5.851 20.465 1.00 5.81 H new ATOM 0 HG3 ARG A 246 1.778 -5.290 19.330 1.00 5.81 H new ATOM 0 HD2 ARG A 246 0.702 -3.150 19.712 1.00 6.16 H new ATOM 0 HD3 ARG A 246 0.122 -3.776 21.017 1.00 6.16 H new ATOM 0 HE ARG A 246 2.767 -4.073 20.935 1.00 5.82 H new ATOM 0 HH11 ARG A 246 0.562 -1.864 22.016 1.00 6.40 H new ATOM 0 HH12 ARG A 246 1.523 -1.090 22.850 1.00 6.40 H new ATOM 0 HH21 ARG A 246 4.199 -2.846 22.207 1.00 7.53 H new ATOM 0 HH22 ARG A 246 3.689 -1.671 22.968 1.00 7.53 H new ATOM 4159 N PRO A 247 0.215 -8.574 20.001 1.00 6.37 N ANISOU 4159 N PRO A 247 769 840 811 60 -120 -39 N ATOM 4160 CA APRO A 247 -0.218 -9.393 21.125 0.44 7.63 C ANISOU 4160 CA APRO A 247 963 975 962 75 -143 -21 C ATOM 4161 CA BPRO A 247 -0.137 -9.396 21.152 0.56 6.45 C ANISOU 4161 CA BPRO A 247 812 827 812 76 -145 -22 C ATOM 4162 C PRO A 247 -0.498 -8.571 22.380 1.00 6.13 C ANISOU 4162 C PRO A 247 779 791 759 56 -143 -10 C ATOM 4163 O PRO A 247 -0.154 -7.406 22.492 1.00 6.52 O ANISOU 4163 O PRO A 247 805 863 810 36 -133 -23 O ATOM 4164 CB APRO A 247 0.966 -10.328 21.343 0.44 8.27 C ANISOU 4164 CB APRO A 247 1033 1067 1042 118 -174 -39 C ATOM 4165 CB BPRO A 247 1.143 -10.203 21.416 0.56 8.08 C ANISOU 4165 CB BPRO A 247 1003 1049 1017 119 -175 -42 C ATOM 4166 CG APRO A 247 2.141 -9.535 20.904 0.44 8.81 C ANISOU 4166 CG APRO A 247 1050 1181 1115 117 -165 -68 C ATOM 4167 CG BPRO A 247 1.867 -10.205 20.135 0.56 6.67 C ANISOU 4167 CG BPRO A 247 790 896 849 130 -164 -68 C ATOM 4168 CD APRO A 247 1.657 -8.689 19.756 0.44 7.85 C ANISOU 4168 CD APRO A 247 916 1065 1000 83 -130 -67 C ATOM 4169 CD BPRO A 247 1.559 -8.882 19.500 0.56 6.22 C ANISOU 4169 CD BPRO A 247 713 855 795 86 -128 -67 C ATOM 0 HA APRO A 247 -1.054 -9.851 20.943 0.44 6.45 H new ATOM 0 HA BPRO A 247 -0.921 -9.939 20.976 0.56 6.45 H new ATOM 0 HB2APRO A 247 1.043 -10.591 22.273 0.44 8.08 H new ATOM 0 HB2BPRO A 247 1.675 -9.797 22.119 0.56 8.08 H new ATOM 0 HB3APRO A 247 0.874 -11.143 20.825 0.44 8.08 H new ATOM 0 HB3BPRO A 247 0.935 -11.106 21.703 0.56 8.08 H new ATOM 0 HG2APRO A 247 2.478 -8.982 21.626 0.44 6.67 H new ATOM 0 HG2BPRO A 247 2.821 -10.313 20.273 0.56 6.67 H new ATOM 0 HG3APRO A 247 2.868 -10.114 20.627 0.44 6.67 H new ATOM 0 HG3BPRO A 247 1.577 -10.939 19.571 0.56 6.67 H new ATOM 0 HD2APRO A 247 2.088 -7.820 19.746 0.44 6.22 H new ATOM 0 HD2BPRO A 247 2.202 -8.203 19.758 0.56 6.22 H new ATOM 0 HD3APRO A 247 1.842 -9.108 18.901 0.44 6.22 H new ATOM 0 HD3BPRO A 247 1.577 -8.937 18.532 0.56 6.22 H new ATOM 4184 N ALA A 248 -1.150 -9.223 23.324 1.00 6.59 N ANISOU 4184 N ALA A 248 871 828 803 62 -156 14 N ATOM 4185 CA ALA A 248 -1.512 -8.622 24.595 1.00 6.72 C ANISOU 4185 CA ALA A 248 899 855 801 50 -157 25 C ATOM 4186 C ALA A 248 -0.282 -8.125 25.319 1.00 7.57 C ANISOU 4186 C ALA A 248 982 995 901 65 -176 1 C ATOM 4187 O ALA A 248 0.756 -8.807 25.359 1.00 7.85 O ANISOU 4187 O ALA A 248 1006 1039 939 96 -201 -12 O ATOM 4188 CB ALA A 248 -2.274 -9.630 25.447 1.00 9.10 C ANISOU 4188 CB ALA A 248 1240 1134 1085 58 -168 59 C ATOM 0 H ALA A 248 -1.400 -10.042 23.244 1.00 6.59 H new ATOM 0 HA ALA A 248 -2.088 -7.859 24.429 1.00 6.72 H new ATOM 0 HB1 ALA A 248 -2.513 -9.223 26.294 1.00 9.10 H new ATOM 0 HB2 ALA A 248 -3.080 -9.904 24.982 1.00 9.10 H new ATOM 0 HB3 ALA A 248 -1.715 -10.406 25.608 1.00 9.10 H new ATOM 4194 N GLN A 249 -0.419 -6.947 25.913 1.00 6.32 N ANISOU 4194 N GLN A 249 814 853 735 46 -169 -8 N ATOM 4195 CA GLN A 249 0.622 -6.254 26.650 1.00 6.89 C ANISOU 4195 CA GLN A 249 861 955 803 52 -188 -34 C ATOM 4196 C GLN A 249 0.293 -6.253 28.134 1.00 7.33 C ANISOU 4196 C GLN A 249 940 1019 825 64 -204 -25 C ATOM 4197 O GLN A 249 -0.853 -6.439 28.513 1.00 7.82 O ANISOU 4197 O GLN A 249 1033 1069 870 56 -191 1 O ATOM 4198 CB GLN A 249 0.708 -4.828 26.146 1.00 7.67 C ANISOU 4198 CB GLN A 249 932 1062 919 19 -171 -54 C ATOM 4199 CG GLN A 249 1.032 -4.734 24.669 1.00 7.12 C ANISOU 4199 CG GLN A 249 839 990 875 5 -151 -60 C ATOM 4200 CD GLN A 249 2.349 -5.387 24.322 1.00 7.75 C ANISOU 4200 CD GLN A 249 887 1093 963 29 -167 -77 C ATOM 4201 OE1 GLN A 249 3.380 -5.104 24.929 1.00 9.93 O ANISOU 4201 OE1 GLN A 249 1137 1396 1240 37 -188 -99 O ATOM 4202 NE2 GLN A 249 2.331 -6.284 23.350 1.00 7.86 N ANISOU 4202 NE2 GLN A 249 903 1100 984 43 -159 -71 N ATOM 0 H GLN A 249 -1.159 -6.510 25.895 1.00 6.32 H new ATOM 0 HA GLN A 249 1.471 -6.704 26.518 1.00 6.89 H new ATOM 0 HB2 GLN A 249 -0.136 -4.380 26.315 1.00 7.67 H new ATOM 0 HB3 GLN A 249 1.387 -4.353 26.651 1.00 7.67 H new ATOM 0 HG2 GLN A 249 0.322 -5.153 24.158 1.00 7.12 H new ATOM 0 HG3 GLN A 249 1.058 -3.801 24.406 1.00 7.12 H new ATOM 0 HE21 GLN A 249 1.595 -6.462 22.943 1.00 7.86 H new ATOM 0 HE22 GLN A 249 3.056 -6.689 23.125 1.00 7.86 H new ATOM 4211 N PRO A 250 1.286 -5.985 28.998 1.00 8.40 N ANISOU 4211 N PRO A 250 1060 1181 950 82 -232 -47 N ATOM 4212 CA PRO A 250 1.006 -6.050 30.436 1.00 9.49 C ANISOU 4212 CA PRO A 250 1223 1332 1049 98 -249 -38 C ATOM 4213 C PRO A 250 -0.032 -5.029 30.878 1.00 8.55 C ANISOU 4213 C PRO A 250 1116 1218 917 76 -229 -39 C ATOM 4214 O PRO A 250 0.019 -3.853 30.490 1.00 8.46 O ANISOU 4214 O PRO A 250 1082 1207 925 53 -221 -65 O ATOM 4215 CB PRO A 250 2.366 -5.768 31.064 1.00 11.58 C ANISOU 4215 CB PRO A 250 1461 1627 1312 120 -284 -72 C ATOM 4216 CG PRO A 250 3.367 -6.170 30.016 1.00 15.15 C ANISOU 4216 CG PRO A 250 1880 2080 1797 126 -289 -87 C ATOM 4217 CD PRO A 250 2.710 -5.764 28.721 1.00 8.48 C ANISOU 4217 CD PRO A 250 1028 1214 980 91 -251 -80 C ATOM 0 HA PRO A 250 0.626 -6.903 30.699 1.00 9.49 H new ATOM 0 HB2 PRO A 250 2.458 -4.831 31.297 1.00 11.58 H new ATOM 0 HB3 PRO A 250 2.488 -6.277 31.881 1.00 11.58 H new ATOM 0 HG2 PRO A 250 4.216 -5.718 30.142 1.00 15.15 H new ATOM 0 HG3 PRO A 250 3.546 -7.123 30.041 1.00 15.15 H new ATOM 0 HD2 PRO A 250 2.894 -4.838 28.498 1.00 8.48 H new ATOM 0 HD3 PRO A 250 3.020 -6.302 27.976 1.00 8.48 H new ATOM 4225 N LEU A 251 -0.919 -5.459 31.762 1.00 8.89 N ANISOU 4225 N LEU A 251 1191 1264 923 84 -225 -11 N ATOM 4226 CA LEU A 251 -1.959 -4.586 32.231 1.00 7.94 C ANISOU 4226 CA LEU A 251 1079 1155 784 69 -206 -14 C ATOM 4227 C LEU A 251 -1.414 -3.491 33.143 1.00 8.25 C ANISOU 4227 C LEU A 251 1105 1222 809 79 -228 -54 C ATOM 4228 O LEU A 251 -1.972 -2.376 33.198 1.00 8.08 O ANISOU 4228 O LEU A 251 1077 1203 788 66 -218 -76 O ATOM 4229 CB LEU A 251 -3.022 -5.400 32.965 1.00 9.74 C ANISOU 4229 CB LEU A 251 1341 1389 972 74 -193 28 C ATOM 4230 CG LEU A 251 -4.289 -4.681 33.386 1.00 9.92 C ANISOU 4230 CG LEU A 251 1370 1428 972 62 -167 29 C ATOM 4231 CD1 LEU A 251 -4.999 -4.169 32.186 1.00 10.51 C ANISOU 4231 CD1 LEU A 251 1431 1477 1084 34 -141 23 C ATOM 4232 CD2 LEU A 251 -5.211 -5.628 34.162 1.00 13.96 C ANISOU 4232 CD2 LEU A 251 1910 1954 1441 63 -153 76 C ATOM 0 H LEU A 251 -0.930 -6.251 32.097 1.00 8.89 H new ATOM 0 HA LEU A 251 -2.354 -4.152 31.459 1.00 7.94 H new ATOM 0 HB2 LEU A 251 -3.275 -6.144 32.396 1.00 9.74 H new ATOM 0 HB3 LEU A 251 -2.614 -5.777 33.760 1.00 9.74 H new ATOM 0 HG LEU A 251 -4.047 -3.939 33.961 1.00 9.92 H new ATOM 0 HD11 LEU A 251 -5.808 -3.710 32.460 1.00 10.51 H new ATOM 0 HD12 LEU A 251 -4.424 -3.551 31.708 1.00 10.51 H new ATOM 0 HD13 LEU A 251 -5.229 -4.911 31.605 1.00 10.51 H new ATOM 0 HD21 LEU A 251 -6.016 -5.154 34.424 1.00 13.96 H new ATOM 0 HD22 LEU A 251 -5.449 -6.382 33.599 1.00 13.96 H new ATOM 0 HD23 LEU A 251 -4.753 -5.949 34.955 1.00 13.96 H new ATOM 4244 N LYS A 252 -0.357 -3.795 33.890 1.00 8.14 N ANISOU 4244 N LYS A 252 1086 1228 778 106 -262 -67 N ATOM 4245 CA LYS A 252 0.250 -2.807 34.782 1.00 9.82 C ANISOU 4245 CA LYS A 252 1285 1467 978 117 -290 -109 C ATOM 4246 C LYS A 252 -0.787 -2.225 35.742 1.00 9.93 C ANISOU 4246 C LYS A 252 1320 1502 950 123 -281 -112 C ATOM 4247 O LYS A 252 -1.630 -2.968 36.232 1.00 11.54 O ANISOU 4247 O LYS A 252 1552 1717 1115 132 -265 -75 O ATOM 4248 CB LYS A 252 1.033 -1.768 33.990 1.00 10.79 C ANISOU 4248 CB LYS A 252 1369 1578 1150 93 -297 -148 C ATOM 4249 CG LYS A 252 2.186 -2.430 33.196 1.00 13.74 C ANISOU 4249 CG LYS A 252 1717 1948 1556 95 -308 -148 C ATOM 4250 CD LYS A 252 3.132 -1.426 32.546 1.00 15.53 C ANISOU 4250 CD LYS A 252 1899 2173 1827 68 -316 -185 C ATOM 4251 CE LYS A 252 4.287 -2.149 31.867 1.00 18.57 C ANISOU 4251 CE LYS A 252 2253 2567 2236 76 -325 -187 C ATOM 4252 NZ LYS A 252 5.217 -1.210 31.182 1.00 20.71 N ANISOU 4252 NZ LYS A 252 2475 2843 2550 44 -328 -218 N ATOM 0 H LYS A 252 0.025 -4.566 33.896 1.00 8.14 H new ATOM 0 HA LYS A 252 0.904 -3.245 35.349 1.00 9.82 H new ATOM 0 HB2 LYS A 252 0.438 -1.306 33.379 1.00 10.79 H new ATOM 0 HB3 LYS A 252 1.393 -1.100 34.594 1.00 10.79 H new ATOM 0 HG2 LYS A 252 2.693 -3.002 33.793 1.00 13.74 H new ATOM 0 HG3 LYS A 252 1.809 -3.001 32.508 1.00 13.74 H new ATOM 0 HD2 LYS A 252 2.650 -0.892 31.895 1.00 15.53 H new ATOM 0 HD3 LYS A 252 3.475 -0.815 33.216 1.00 15.53 H new ATOM 0 HE2 LYS A 252 4.778 -2.662 32.528 1.00 18.57 H new ATOM 0 HE3 LYS A 252 3.935 -2.781 31.221 1.00 18.57 H new ATOM 0 HZ1 LYS A 252 5.761 -1.668 30.647 1.00 20.71 H new ATOM 0 HZ2 LYS A 252 4.749 -0.627 30.699 1.00 20.71 H new ATOM 0 HZ3 LYS A 252 5.698 -0.772 31.790 1.00 20.71 H new ATOM 4266 N ASN A 253 -0.742 -0.930 36.003 1.00 10.66 N ANISOU 4266 N ASN A 253 1399 1602 1049 118 -292 -156 N ATOM 4267 CA AASN A 253 -1.595 -0.323 37.011 0.56 11.96 C ANISOU 4267 CA AASN A 253 1580 1794 1170 133 -289 -170 C ATOM 4268 CA BASN A 253 -1.597 -0.334 37.015 0.44 12.90 C ANISOU 4268 CA BASN A 253 1699 1914 1289 133 -289 -170 C ATOM 4269 C ASN A 253 -2.909 0.133 36.401 1.00 11.66 C ANISOU 4269 C ASN A 253 1548 1741 1143 112 -252 -161 C ATOM 4270 O ASN A 253 -3.186 1.362 36.349 1.00 14.57 O ANISOU 4270 O ASN A 253 1909 2102 1526 107 -257 -200 O ATOM 4271 CB AASN A 253 -0.875 0.857 37.676 0.56 15.32 C ANISOU 4271 CB AASN A 253 1991 2234 1598 144 -328 -230 C ATOM 4272 CB BASN A 253 -0.862 0.820 37.701 0.44 15.63 C ANISOU 4272 CB BASN A 253 2031 2274 1636 145 -329 -229 C ATOM 4273 CG AASN A 253 -1.665 1.444 38.821 0.56 18.45 C ANISOU 4273 CG AASN A 253 2404 2664 1941 170 -331 -252 C ATOM 4274 CG BASN A 253 0.403 0.362 38.416 0.44 18.30 C ANISOU 4274 CG BASN A 253 2361 2635 1958 171 -369 -241 C ATOM 4275 OD1AASN A 253 -1.787 2.664 38.956 0.56 21.45 O ANISOU 4275 OD1AASN A 253 2778 3040 2334 169 -346 -299 O ATOM 4276 OD1BASN A 253 0.378 -0.577 39.215 0.44 19.51 O ANISOU 4276 OD1BASN A 253 2535 2815 2062 199 -375 -214 O ATOM 4277 ND2AASN A 253 -2.215 0.575 39.651 0.56 14.51 N ANISOU 4277 ND2AASN A 253 1928 2202 1381 194 -319 -218 N ATOM 4278 ND2BASN A 253 1.514 1.034 38.135 0.44 20.99 N ANISOU 4278 ND2BASN A 253 2670 2965 2341 159 -400 -281 N ATOM 0 H AASN A 253 -0.218 -0.378 35.603 0.56 10.66 H new ATOM 0 H BASN A 253 -0.221 -0.375 35.603 0.44 10.66 H new ATOM 0 HA AASN A 253 -1.791 -0.990 37.688 0.56 12.90 H new ATOM 0 HA BASN A 253 -1.809 -1.003 37.685 0.44 12.90 H new ATOM 0 HB2AASN A 253 -0.010 0.563 38.001 0.56 15.63 H new ATOM 0 HB2BASN A 253 -0.631 1.491 37.040 0.44 15.63 H new ATOM 0 HB3AASN A 253 -0.710 1.546 37.014 0.56 15.63 H new ATOM 0 HB3BASN A 253 -1.456 1.244 38.340 0.44 15.63 H new ATOM 0 HD21AASN A 253 -2.681 0.853 40.318 0.56 20.99 H new ATOM 0 HD21BASN A 253 2.254 0.819 38.516 0.44 20.99 H new ATOM 0 HD22AASN A 253 -2.107 -0.269 39.524 0.56 20.99 H new ATOM 0 HD22BASN A 253 1.493 1.684 37.572 0.44 20.99 H new ATOM 4291 N ARG A 254 -3.704 -0.854 35.938 1.00 10.20 N ANISOU 4291 N ARG A 254 1376 1547 952 102 -219 -112 N ATOM 4292 CA ARG A 254 -5.012 -0.606 35.332 1.00 8.11 C ANISOU 4292 CA ARG A 254 1115 1272 697 84 -183 -99 C ATOM 4293 C ARG A 254 -6.027 -1.614 35.797 1.00 8.99 C ANISOU 4293 C ARG A 254 1246 1405 766 87 -156 -52 C ATOM 4294 O ARG A 254 -5.659 -2.725 36.211 1.00 11.65 O ANISOU 4294 O ARG A 254 1597 1749 1080 95 -163 -17 O ATOM 4295 CB ARG A 254 -4.935 -0.650 33.819 1.00 7.76 C ANISOU 4295 CB ARG A 254 1059 1182 709 54 -169 -89 C ATOM 4296 CG ARG A 254 -4.088 0.480 33.259 1.00 7.77 C ANISOU 4296 CG ARG A 254 1040 1161 753 41 -190 -130 C ATOM 4297 CD ARG A 254 -3.991 0.442 31.749 1.00 6.70 C ANISOU 4297 CD ARG A 254 893 988 667 12 -174 -117 C ATOM 4298 NE ARG A 254 -3.122 -0.643 31.318 1.00 6.80 N ANISOU 4298 NE ARG A 254 898 995 690 13 -178 -96 N ATOM 4299 CZ ARG A 254 -2.862 -0.939 30.052 1.00 5.74 C ANISOU 4299 CZ ARG A 254 753 836 590 -6 -165 -83 C ATOM 4300 NH1 ARG A 254 -3.452 -0.276 29.065 1.00 5.95 N ANISOU 4300 NH1 ARG A 254 777 840 644 -29 -146 -84 N ATOM 4301 NH2 ARG A 254 -2.011 -1.908 29.747 1.00 5.86 N ANISOU 4301 NH2 ARG A 254 761 852 613 3 -173 -71 N ATOM 0 H ARG A 254 -3.490 -1.686 35.971 1.00 10.20 H new ATOM 0 HA ARG A 254 -5.288 0.281 35.613 1.00 8.11 H new ATOM 0 HB2 ARG A 254 -4.563 -1.501 33.540 1.00 7.76 H new ATOM 0 HB3 ARG A 254 -5.830 -0.596 33.449 1.00 7.76 H new ATOM 0 HG2 ARG A 254 -4.466 1.330 33.534 1.00 7.77 H new ATOM 0 HG3 ARG A 254 -3.197 0.430 33.638 1.00 7.77 H new ATOM 0 HD2 ARG A 254 -4.875 0.327 31.366 1.00 6.70 H new ATOM 0 HD3 ARG A 254 -3.648 1.288 31.421 1.00 6.70 H new ATOM 0 HE ARG A 254 -2.752 -1.125 31.926 1.00 6.80 H new ATOM 0 HH11 ARG A 254 -4.010 0.354 29.243 1.00 5.95 H new ATOM 0 HH12 ARG A 254 -3.276 -0.476 28.247 1.00 5.95 H new ATOM 0 HH21 ARG A 254 -1.622 -2.351 30.373 1.00 5.86 H new ATOM 0 HH22 ARG A 254 -1.848 -2.094 28.923 1.00 5.86 H new ATOM 4315 N GLN A 255 -7.277 -1.182 35.812 1.00 9.02 N ANISOU 4315 N GLN A 255 1248 1422 757 81 -129 -53 N ATOM 4316 CA AGLN A 255 -8.417 -2.046 36.073 0.31 12.09 C ANISOU 4316 CA AGLN A 255 1648 1833 1113 74 -96 -7 C ATOM 4317 CA BGLN A 255 -8.430 -2.038 36.080 0.69 10.01 C ANISOU 4317 CA BGLN A 255 1385 1570 850 74 -96 -7 C ATOM 4318 C GLN A 255 -9.359 -2.011 34.877 1.00 10.00 C ANISOU 4318 C GLN A 255 1373 1539 889 46 -68 4 C ATOM 4319 O GLN A 255 -9.566 -0.960 34.247 1.00 12.52 O ANISOU 4319 O GLN A 255 1679 1841 1238 43 -69 -32 O ATOM 4320 CB AGLN A 255 -9.149 -1.610 37.339 0.31 14.69 C ANISOU 4320 CB AGLN A 255 1979 2222 1381 97 -87 -19 C ATOM 4321 CB BGLN A 255 -9.182 -1.606 37.336 0.69 11.95 C ANISOU 4321 CB BGLN A 255 1632 1876 1033 96 -86 -19 C ATOM 4322 CG AGLN A 255 -9.429 -0.126 37.410 0.31 18.96 C ANISOU 4322 CG AGLN A 255 2505 2772 1927 112 -95 -80 C ATOM 4323 CG BGLN A 255 -8.378 -1.842 38.617 0.69 10.11 C ANISOU 4323 CG BGLN A 255 1414 1679 749 126 -112 -21 C ATOM 4324 CD AGLN A 255 -9.766 0.324 38.810 0.31 17.92 C ANISOU 4324 CD AGLN A 255 2376 2704 1729 147 -98 -104 C ATOM 4325 CD BGLN A 255 -9.187 -1.578 39.866 0.69 13.26 C ANISOU 4325 CD BGLN A 255 1816 2146 1077 149 -98 -26 C ATOM 4326 OE1AGLN A 255 -10.179 -0.475 39.652 0.31 20.91 O ANISOU 4326 OE1AGLN A 255 2764 3128 2051 153 -80 -67 O ATOM 4327 OE1BGLN A 255 -9.854 -0.552 39.982 0.69 17.54 O ANISOU 4327 OE1BGLN A 255 2343 2710 1612 161 -90 -68 O ATOM 4328 NE2AGLN A 255 -9.578 1.614 39.077 0.31 15.01 N ANISOU 4328 NE2AGLN A 255 2000 2339 1364 170 -123 -167 N ATOM 4329 NE2BGLN A 255 -9.114 -2.494 40.828 0.69 13.86 N ANISOU 4329 NE2BGLN A 255 1912 2259 1096 159 -96 15 N ATOM 0 H AGLN A 255 -7.492 -0.362 35.668 0.31 9.02 H new ATOM 0 H BGLN A 255 -7.488 -0.362 35.663 0.69 9.02 H new ATOM 0 HA AGLN A 255 -8.101 -2.953 36.209 0.31 10.01 H new ATOM 0 HA BGLN A 255 -8.110 -2.941 36.235 0.69 10.01 H new ATOM 0 HB2AGLN A 255 -9.989 -2.091 37.397 0.31 11.95 H new ATOM 0 HB2BGLN A 255 -9.405 -0.664 37.267 0.69 11.95 H new ATOM 0 HB3AGLN A 255 -8.621 -1.867 38.111 0.31 11.95 H new ATOM 0 HB3BGLN A 255 -10.020 -2.092 37.390 0.69 11.95 H new ATOM 0 HG2AGLN A 255 -8.654 0.363 37.093 0.31 10.11 H new ATOM 0 HG2BGLN A 255 -8.058 -2.758 38.630 0.69 10.11 H new ATOM 0 HG3AGLN A 255 -10.165 0.091 36.816 0.31 10.11 H new ATOM 0 HG3BGLN A 255 -7.596 -1.268 38.615 0.69 10.11 H new ATOM 0 HE21AGLN A 255 -9.288 2.142 38.463 0.31 13.86 H new ATOM 0 HE21BGLN A 255 -8.638 -3.201 40.714 0.69 13.86 H new ATOM 0 HE22AGLN A 255 -9.746 1.919 39.863 0.31 13.86 H new ATOM 0 HE22BGLN A 255 -9.543 -2.379 41.564 0.69 13.86 H new ATOM 4346 N ILE A 256 -9.888 -3.161 34.524 1.00 8.84 N ANISOU 4346 N ILE A 256 1234 1381 743 26 -48 53 N ATOM 4347 CA ILE A 256 -10.873 -3.256 33.462 1.00 7.70 C ANISOU 4347 CA ILE A 256 1080 1215 632 1 -22 66 C ATOM 4348 C ILE A 256 -12.255 -3.287 34.097 1.00 7.75 C ANISOU 4348 C ILE A 256 1079 1266 599 -3 9 80 C ATOM 4349 O ILE A 256 -12.500 -4.043 35.039 1.00 9.43 O ANISOU 4349 O ILE A 256 1303 1513 768 -3 18 116 O ATOM 4350 CB ILE A 256 -10.636 -4.496 32.630 1.00 7.35 C ANISOU 4350 CB ILE A 256 1047 1129 618 -20 -22 105 C ATOM 4351 CG1 ILE A 256 -9.217 -4.476 32.052 1.00 8.84 C ANISOU 4351 CG1 ILE A 256 1236 1284 839 -11 -51 87 C ATOM 4352 CG2 ILE A 256 -11.712 -4.617 31.516 1.00 10.19 C ANISOU 4352 CG2 ILE A 256 1394 1466 1009 -45 1 116 C ATOM 4353 CD1 ILE A 256 -8.898 -5.644 31.131 1.00 9.98 C ANISOU 4353 CD1 ILE A 256 1389 1387 1015 -24 -55 116 C ATOM 0 H ILE A 256 -9.689 -3.913 34.891 1.00 8.84 H new ATOM 0 HA ILE A 256 -10.801 -2.491 32.871 1.00 7.70 H new ATOM 0 HB ILE A 256 -10.716 -5.280 33.195 1.00 7.35 H new ATOM 0 HG12 ILE A 256 -9.090 -3.648 31.563 1.00 8.84 H new ATOM 0 HG13 ILE A 256 -8.581 -4.473 32.784 1.00 8.84 H new ATOM 0 HG21 ILE A 256 -11.547 -5.416 30.992 1.00 10.19 H new ATOM 0 HG22 ILE A 256 -12.592 -4.672 31.920 1.00 10.19 H new ATOM 0 HG23 ILE A 256 -11.670 -3.838 30.939 1.00 10.19 H new ATOM 0 HD11 ILE A 256 -7.987 -5.562 30.807 1.00 9.98 H new ATOM 0 HD12 ILE A 256 -8.993 -6.477 31.619 1.00 9.98 H new ATOM 0 HD13 ILE A 256 -9.510 -5.640 30.378 1.00 9.98 H new ATOM 4365 N LYS A 257 -13.139 -2.426 33.604 1.00 7.60 N ANISOU 4365 N LYS A 257 1041 1251 595 -4 23 53 N ATOM 4366 CA LYS A 257 -14.481 -2.344 34.133 1.00 7.57 C ANISOU 4366 CA LYS A 257 1022 1297 557 -5 53 59 C ATOM 4367 C LYS A 257 -15.472 -2.944 33.162 1.00 7.47 C ANISOU 4367 C LYS A 257 998 1266 576 -36 77 87 C ATOM 4368 O LYS A 257 -15.291 -2.828 31.952 1.00 8.03 O ANISOU 4368 O LYS A 257 1068 1287 697 -47 68 78 O ATOM 4369 CB LYS A 257 -14.850 -0.886 34.408 1.00 9.75 C ANISOU 4369 CB LYS A 257 1283 1599 824 25 48 0 C ATOM 4370 CG LYS A 257 -13.966 -0.243 35.453 1.00 13.69 C ANISOU 4370 CG LYS A 257 1791 2120 1289 57 22 -34 C ATOM 4371 CD LYS A 257 -14.094 -1.024 36.748 1.00 19.31 C ANISOU 4371 CD LYS A 257 2510 2890 1935 64 36 -1 C ATOM 4372 CE LYS A 257 -13.566 -0.264 37.971 1.00 20.85 C ANISOU 4372 CE LYS A 257 2711 3127 2083 105 14 -42 C ATOM 4373 NZ LYS A 257 -13.905 -0.949 39.251 1.00 23.73 N ANISOU 4373 NZ LYS A 257 3082 3560 2373 114 33 -9 N ATOM 0 H LYS A 257 -12.974 -1.881 32.960 1.00 7.60 H new ATOM 0 HA LYS A 257 -14.513 -2.845 34.963 1.00 7.57 H new ATOM 0 HB2 LYS A 257 -14.788 -0.380 33.583 1.00 9.75 H new ATOM 0 HB3 LYS A 257 -15.774 -0.840 34.700 1.00 9.75 H new ATOM 0 HG2 LYS A 257 -13.043 -0.236 35.154 1.00 13.69 H new ATOM 0 HG3 LYS A 257 -14.226 0.681 35.591 1.00 13.69 H new ATOM 0 HD2 LYS A 257 -15.027 -1.248 36.892 1.00 19.31 H new ATOM 0 HD3 LYS A 257 -13.611 -1.861 36.662 1.00 19.31 H new ATOM 0 HE2 LYS A 257 -12.603 -0.172 37.901 1.00 20.85 H new ATOM 0 HE3 LYS A 257 -13.937 0.632 37.978 1.00 20.85 H new ATOM 0 HZ1 LYS A 257 -13.212 -0.898 39.808 1.00 23.73 H new ATOM 0 HZ2 LYS A 257 -14.612 -0.554 39.621 1.00 23.73 H new ATOM 0 HZ3 LYS A 257 -14.094 -1.804 39.090 1.00 23.73 H new ATOM 4387 N ALA A 258 -16.491 -3.596 33.688 1.00 8.19 N ANISOU 4387 N ALA A 258 1079 1399 636 -53 106 121 N ATOM 4388 CA ALA A 258 -17.556 -4.193 32.893 1.00 8.30 C ANISOU 4388 CA ALA A 258 1076 1402 677 -86 128 147 C ATOM 4389 C ALA A 258 -18.835 -3.386 33.034 1.00 8.71 C ANISOU 4389 C ALA A 258 1093 1505 713 -76 152 119 C ATOM 4390 O ALA A 258 -19.183 -2.912 34.126 1.00 9.08 O ANISOU 4390 O ALA A 258 1128 1615 708 -54 165 104 O ATOM 4391 CB ALA A 258 -17.784 -5.646 33.319 1.00 9.62 C ANISOU 4391 CB ALA A 258 1255 1574 828 -119 143 213 C ATOM 0 H ALA A 258 -16.589 -3.709 34.535 1.00 8.19 H new ATOM 0 HA ALA A 258 -17.291 -4.185 31.960 1.00 8.30 H new ATOM 0 HB1 ALA A 258 -18.494 -6.033 32.784 1.00 9.62 H new ATOM 0 HB2 ALA A 258 -16.968 -6.154 33.188 1.00 9.62 H new ATOM 0 HB3 ALA A 258 -18.034 -5.673 34.256 1.00 9.62 H new ATOM 4397 N SER A 259 -19.543 -3.236 31.928 1.00 8.11 N ANISOU 4397 N SER A 259 998 1403 678 -89 157 108 N ATOM 4398 CA SER A 259 -20.807 -2.517 31.932 1.00 9.20 C ANISOU 4398 CA SER A 259 1100 1588 807 -77 176 79 C ATOM 4399 C SER A 259 -21.961 -3.420 32.314 1.00 9.96 C ANISOU 4399 C SER A 259 1169 1732 882 -111 212 120 C ATOM 4400 O SER A 259 -23.103 -2.944 32.433 1.00 12.76 O ANISOU 4400 O SER A 259 1485 2139 1223 -103 233 99 O ATOM 4401 CB SER A 259 -21.093 -1.968 30.540 1.00 10.19 C ANISOU 4401 CB SER A 259 1219 1667 987 -75 162 50 C ATOM 4402 OG SER A 259 -21.503 -3.022 29.672 1.00 8.73 O ANISOU 4402 OG SER A 259 1030 1451 835 -114 169 87 O ATOM 0 H SER A 259 -19.309 -3.544 31.160 1.00 8.11 H new ATOM 0 HA SER A 259 -20.728 -1.802 32.582 1.00 9.20 H new ATOM 0 HB2 SER A 259 -21.786 -1.291 30.588 1.00 10.19 H new ATOM 0 HB3 SER A 259 -20.300 -1.537 30.185 1.00 10.19 H new ATOM 0 HG SER A 259 -21.789 -2.697 28.952 1.00 8.73 H new ATOM 4408 N PHE A 260 -21.691 -4.695 32.560 1.00 9.72 N ANISOU 4408 N PHE A 260 1157 1689 848 -147 218 179 N ATOM 4409 CA PHE A 260 -22.739 -5.698 32.736 1.00 13.74 C ANISOU 4409 CA PHE A 260 1643 2228 1349 -192 249 228 C ATOM 4410 C PHE A 260 -22.370 -6.593 33.913 1.00 16.14 C ANISOU 4410 C PHE A 260 1970 2549 1613 -207 256 278 C ATOM 4411 O PHE A 260 -21.193 -6.764 34.245 1.00 15.90 O ANISOU 4411 O PHE A 260 1978 2495 1568 -194 235 290 O ATOM 4412 CB PHE A 260 -22.872 -6.551 31.481 1.00 11.13 C ANISOU 4412 CB PHE A 260 1318 1830 1079 -230 237 251 C ATOM 4413 CG PHE A 260 -21.583 -7.233 31.088 1.00 10.74 C ANISOU 4413 CG PHE A 260 1316 1708 1056 -234 206 272 C ATOM 4414 CD1 PHE A 260 -20.604 -6.566 30.383 1.00 9.47 C ANISOU 4414 CD1 PHE A 260 1176 1501 923 -202 176 233 C ATOM 4415 CD2 PHE A 260 -21.332 -8.530 31.507 1.00 14.95 C ANISOU 4415 CD2 PHE A 260 1875 2223 1583 -267 205 332 C ATOM 4416 CE1 PHE A 260 -19.424 -7.190 30.049 1.00 13.67 C ANISOU 4416 CE1 PHE A 260 1743 1975 1474 -203 149 248 C ATOM 4417 CE2 PHE A 260 -20.149 -9.156 31.174 1.00 17.74 C ANISOU 4417 CE2 PHE A 260 2270 2512 1959 -264 173 346 C ATOM 4418 CZ PHE A 260 -19.191 -8.474 30.459 1.00 16.45 C ANISOU 4418 CZ PHE A 260 2119 2310 1820 -229 147 302 C ATOM 0 H PHE A 260 -20.893 -5.007 32.630 1.00 9.72 H new ATOM 0 HA PHE A 260 -23.584 -5.251 32.903 1.00 13.74 H new ATOM 0 HB2 PHE A 260 -23.556 -7.223 31.625 1.00 11.13 H new ATOM 0 HB3 PHE A 260 -23.173 -5.992 30.747 1.00 11.13 H new ATOM 0 HD1 PHE A 260 -20.743 -5.682 30.130 1.00 9.47 H new ATOM 0 HD2 PHE A 260 -21.966 -8.981 32.016 1.00 14.95 H new ATOM 0 HE1 PHE A 260 -18.786 -6.739 29.545 1.00 13.67 H new ATOM 0 HE2 PHE A 260 -19.999 -10.037 31.432 1.00 17.74 H new ATOM 0 HZ PHE A 260 -18.383 -8.887 30.254 1.00 16.45 H new ATOM 4428 N LYS A 261 -23.387 -7.194 34.515 1.00 20.49 N ANISOU 4428 N LYS A 261 2501 3129 2155 -230 280 305 N ATOM 4429 CA LYS A 261 -23.159 -8.085 35.648 1.00 24.69 C ANISOU 4429 CA LYS A 261 3058 3666 2655 -242 285 351 C ATOM 4430 C LYS A 261 -23.065 -9.507 35.130 1.00 25.67 C ANISOU 4430 C LYS A 261 3209 3722 2824 -286 274 402 C ATOM 4431 O LYS A 261 -22.225 -10.296 35.585 1.00 36.55 O ANISOU 4431 O LYS A 261 4629 5066 4194 -289 258 437 O ATOM 4432 CB LYS A 261 -24.267 -7.947 36.686 1.00 29.17 C ANISOU 4432 CB LYS A 261 3592 4309 3184 -242 319 352 C ATOM 4433 CG LYS A 261 -23.742 -7.849 38.109 1.00 33.26 C ANISOU 4433 CG LYS A 261 4131 4867 3640 -217 322 360 C ATOM 4434 CD LYS A 261 -24.879 -7.847 39.118 1.00 35.52 C ANISOU 4434 CD LYS A 261 4383 5226 3886 -222 356 367 C ATOM 4435 CE LYS A 261 -25.883 -6.753 38.817 1.00 35.34 C ANISOU 4435 CE LYS A 261 4307 5257 3865 -200 371 312 C ATOM 4436 NZ LYS A 261 -26.995 -6.740 39.814 1.00 41.53 N ANISOU 4436 NZ LYS A 261 5054 6119 4609 -203 405 318 N ATOM 4437 OXT LYS A 261 -23.812 -9.882 34.228 1.00 32.41 O ANISOU 4437 OXT LYS A 261 4042 4550 3722 -316 277 405 O ATOM 0 H LYS A 261 -24.211 -7.102 34.287 1.00 20.49 H new ATOM 0 HA LYS A 261 -22.329 -7.846 36.090 1.00 24.69 H new ATOM 0 HB2 LYS A 261 -24.793 -7.157 36.486 1.00 29.17 H new ATOM 0 HB3 LYS A 261 -24.863 -8.710 36.619 1.00 29.17 H new ATOM 0 HG2 LYS A 261 -23.148 -8.595 38.289 1.00 33.26 H new ATOM 0 HG3 LYS A 261 -23.218 -7.039 38.208 1.00 33.26 H new ATOM 0 HD2 LYS A 261 -25.324 -8.709 39.108 1.00 35.52 H new ATOM 0 HD3 LYS A 261 -24.521 -7.723 40.011 1.00 35.52 H new ATOM 0 HE2 LYS A 261 -25.436 -5.892 38.819 1.00 35.34 H new ATOM 0 HE3 LYS A 261 -26.247 -6.882 37.927 1.00 35.34 H new ATOM 0 HZ1 LYS A 261 -27.567 -6.089 39.612 1.00 41.53 H new ATOM 0 HZ2 LYS A 261 -27.418 -7.523 39.797 1.00 41.53 H new ATOM 0 HZ3 LYS A 261 -26.663 -6.601 40.628 1.00 41.53 H new TER 4451 LYS A 261 HETATM 4452 ZN ZN A 301 -6.769 -1.513 15.227 1.00 4.86 ZN ANISOU 4452 ZN ZN A 301 628 669 550 -53 -114 -13 ZN HETATM 4453 N1 IMD A 302 -4.714 1.825 16.806 0.96 12.64 N HETATM 4454 C2 IMD A 302 -4.670 0.710 15.998 0.96 16.56 C HETATM 4455 N3 IMD A 302 -5.814 -0.015 16.118 0.96 10.84 N HETATM 4456 C4 IMD A 302 -6.583 0.687 16.998 0.96 10.95 C HETATM 4457 C5 IMD A 302 -5.911 1.836 17.402 0.96 11.19 C HETATM 0 HN1 IMD A 302 -4.088 2.406 16.908 0.96 12.64 H new HETATM 0 H5 IMD A 302 -6.248 2.518 18.004 0.96 11.19 H new HETATM 0 H4 IMD A 302 -7.467 0.424 17.298 0.96 10.95 H new HETATM 0 H2 IMD A 302 -3.925 0.475 15.423 0.96 16.56 H new HETATM 4458 N1 IMD A 303 -25.538 0.809 16.562 0.93 31.08 N HETATM 4459 C2 IMD A 303 -26.133 -0.084 15.723 0.93 24.48 C HETATM 4460 N3 IMD A 303 -27.282 0.449 15.256 0.93 20.55 N HETATM 4461 C4 IMD A 303 -27.404 1.663 15.811 0.93 21.87 C HETATM 4462 C5 IMD A 303 -26.325 1.893 16.629 0.93 22.09 C HETATM 0 HN3 IMD A 303 -27.831 0.080 14.707 0.93 20.55 H new HETATM 0 HN1 IMD A 303 -24.792 0.698 16.975 0.93 31.08 H new HETATM 0 H5 IMD A 303 -26.162 2.691 17.157 0.93 22.09 H new HETATM 0 H4 IMD A 303 -28.137 2.280 15.659 0.93 21.87 H new HETATM 0 H2 IMD A 303 -25.787 -0.962 15.497 0.93 24.48 H new HETATM 4463 N1 IMD A 304 3.037 -11.124 16.247 0.92 33.62 N HETATM 4464 C2 IMD A 304 1.712 -10.830 16.082 0.92 11.88 C HETATM 4465 N3 IMD A 304 1.522 -10.568 14.766 0.92 20.23 N HETATM 4466 C4 IMD A 304 2.683 -10.691 14.111 0.92 28.39 C HETATM 4467 C5 IMD A 304 3.636 -11.031 15.044 0.92 28.92 C HETATM 0 HN3 IMD A 304 0.770 -10.355 14.407 0.92 20.23 H new HETATM 0 HN1 IMD A 304 3.420 -11.332 16.988 0.92 33.62 H new HETATM 0 H5 IMD A 304 4.578 -11.178 14.866 0.92 28.92 H new HETATM 0 H4 IMD A 304 2.825 -10.565 13.160 0.92 28.39 H new HETATM 0 H2 IMD A 304 1.035 -10.812 16.776 0.92 11.88 H new HETATM 4468 N1 IMD A 305 -17.744 14.544 2.039 0.98 31.14 N HETATM 4469 C2 IMD A 305 -19.069 14.361 2.280 0.98 23.67 C HETATM 4470 N3 IMD A 305 -19.617 13.751 1.189 0.98 30.34 N HETATM 4471 C4 IMD A 305 -18.652 13.568 0.279 0.98 22.74 C HETATM 4472 C5 IMD A 305 -17.486 14.066 0.811 0.98 23.65 C HETATM 0 HN3 IMD A 305 -20.442 13.523 1.101 0.98 30.34 H new HETATM 0 HN1 IMD A 305 -17.174 14.901 2.575 0.98 31.14 H new HETATM 0 H5 IMD A 305 -16.621 14.071 0.372 0.98 23.65 H new HETATM 0 H4 IMD A 305 -18.756 13.159 -0.595 0.98 22.74 H new HETATM 0 H2 IMD A 305 -19.542 14.619 3.086 0.98 23.67 H new HETATM 4473 N1 IMD A 306 -28.192 -3.950 11.246 0.98 23.28 N HETATM 4474 C2 IMD A 306 -28.110 -2.687 10.736 0.98 18.38 C HETATM 4475 N3 IMD A 306 -27.821 -2.787 9.414 0.98 25.92 N HETATM 4476 C4 IMD A 306 -27.733 -4.086 9.104 0.98 23.92 C HETATM 4477 C5 IMD A 306 -27.957 -4.813 10.244 0.98 24.37 C HETATM 0 HN3 IMD A 306 -27.713 -2.130 8.870 0.98 25.92 H new HETATM 0 HN1 IMD A 306 -28.364 -4.157 12.063 0.98 23.28 H new HETATM 0 H5 IMD A 306 -27.947 -5.780 10.315 0.98 24.37 H new HETATM 0 H4 IMD A 306 -27.544 -4.450 8.225 0.98 23.92 H new HETATM 0 H2 IMD A 306 -28.236 -1.863 11.231 0.98 18.38 H new HETATM 4478 N1 IMD A 307 -1.378 8.931 15.308 0.99 27.04 N HETATM 4479 C2 IMD A 307 -0.334 9.715 14.927 0.99 24.35 C HETATM 4480 N3 IMD A 307 0.154 9.187 13.779 0.99 30.98 N HETATM 4481 C4 IMD A 307 -0.573 8.107 13.454 0.99 27.36 C HETATM 4482 C5 IMD A 307 -1.540 7.945 14.410 0.99 27.08 C HETATM 0 HN3 IMD A 307 0.821 9.494 13.331 0.99 30.98 H new HETATM 0 HN1 IMD A 307 -1.858 9.048 16.012 0.99 27.04 H new HETATM 0 H5 IMD A 307 -2.215 7.249 14.434 0.99 27.08 H new HETATM 0 H4 IMD A 307 -0.437 7.541 12.678 0.99 27.36 H new HETATM 0 H2 IMD A 307 -0.003 10.501 15.389 0.99 24.35 H new HETATM 4483 N1 IMD A 308 -2.684 4.110 0.449 0.60 34.80 N HETATM 4484 C2 IMD A 308 -2.335 4.443 1.716 0.60 29.92 C HETATM 4485 N3 IMD A 308 -2.778 5.706 1.954 0.60 29.02 N HETATM 4486 C4 IMD A 308 -3.402 6.149 0.864 0.60 29.12 C HETATM 4487 C5 IMD A 308 -3.333 5.156 -0.078 0.60 32.37 C HETATM 0 HN3 IMD A 308 -2.673 6.145 2.686 0.60 29.02 H new HETATM 0 HN1 IMD A 308 -2.519 3.363 0.056 0.60 34.80 H new HETATM 0 H5 IMD A 308 -3.694 5.203 -0.977 0.60 32.37 H new HETATM 0 H4 IMD A 308 -3.827 7.014 0.757 0.60 29.12 H new HETATM 0 H2 IMD A 308 -1.854 3.880 2.342 0.60 29.92 H new HETATM 4488 N1 IMD A 309 -11.698 -4.008 40.452 0.87 29.43 N HETATM 4489 C2 IMD A 309 -11.110 -5.174 40.061 0.87 24.66 C HETATM 4490 N3 IMD A 309 -11.127 -5.221 38.702 0.87 16.06 N HETATM 4491 C4 IMD A 309 -11.716 -4.095 38.253 0.87 26.33 C HETATM 4492 C5 IMD A 309 -12.063 -3.337 39.345 0.87 23.78 C HETATM 0 HN3 IMD A 309 -10.816 -5.858 38.214 0.87 16.06 H new HETATM 0 HN1 IMD A 309 -11.815 -3.747 41.263 0.87 29.43 H new HETATM 0 H5 IMD A 309 -12.496 -2.469 39.322 0.87 23.78 H new HETATM 0 H4 IMD A 309 -11.868 -3.861 37.324 0.87 26.33 H new HETATM 0 H2 IMD A 309 -10.743 -5.852 40.650 0.87 24.66 H new HETATM 4493 N1 IMD A 310 -3.742 16.222 11.965 0.87 32.28 N HETATM 4494 C2 IMD A 310 -5.062 16.486 12.161 0.87 25.27 C HETATM 4495 N3 IMD A 310 -5.757 15.387 11.796 0.87 21.46 N HETATM 4496 C4 IMD A 310 -4.885 14.453 11.388 0.87 28.90 C HETATM 4497 C5 IMD A 310 -3.619 14.977 11.485 0.87 29.65 C HETATM 0 HN3 IMD A 310 -6.612 15.301 11.821 0.87 21.46 H new HETATM 0 HN1 IMD A 310 -3.094 16.764 12.123 0.87 32.28 H new HETATM 0 H5 IMD A 310 -2.791 14.530 11.250 0.87 29.65 H new HETATM 0 H4 IMD A 310 -5.110 13.562 11.078 0.87 28.90 H new HETATM 0 H2 IMD A 310 -5.436 17.314 12.501 0.87 25.27 H new HETATM 4498 O HOH A 401 -17.071 -8.318 20.457 0.98 6.12 O HETATM 4499 O HOH A 402 -21.639 -6.996 23.572 0.98 9.20 O HETATM 4500 O HOH A 403 4.753 -4.646 21.015 0.98 8.97 O HETATM 4501 O HOH A 404 -3.534 -10.913 20.891 0.98 6.80 O HETATM 4502 O HOH A 405 -22.222 5.863 4.849 0.98 9.86 O HETATM 4503 O HOH A 406 -24.136 -0.767 3.962 0.98 12.55 O HETATM 4504 O HOH A 407 -8.817 -3.767 7.890 0.98 6.00 O HETATM 4505 O HOH A 408 -10.801 8.973 25.450 0.98 7.44 O HETATM 4506 O HOH A 409 -4.481 -13.252 18.064 0.98 6.95 O HETATM 4507 O HOH A 410 -1.324 -3.886 15.679 0.98 6.64 O HETATM 4508 O HOH A 411 -21.405 7.856 1.840 0.98 8.59 O HETATM 4509 O HOH A 412 -13.889 10.571 27.866 0.98 12.54 O HETATM 4510 O HOH A 413 -3.647 -15.609 24.434 0.98 10.01 O HETATM 4511 O HOH A 414 -7.962 -15.300 11.469 0.98 7.76 O HETATM 4512 O HOH A 415 -22.957 -11.472 14.222 0.98 10.94 O HETATM 4513 O HOH A 416 1.107 -1.218 29.477 0.98 11.15 O HETATM 4514 O HOH A 417 -6.205 -4.450 -6.334 0.98 16.26 O HETATM 4515 O HOH A 418 -19.437 10.153 8.907 0.98 9.08 O HETATM 4516 O HOH A 419 -0.042 -0.779 -4.642 0.98 13.02 O HETATM 4517 O HOH A 420 -3.354 -12.957 25.227 0.98 8.88 O HETATM 4518 O HOH A 421 -2.571 -8.417 29.147 0.98 8.30 O HETATM 4519 O HOH A 422 -22.755 -5.978 3.008 0.98 12.85 O HETATM 4520 O HOH A 423 -22.292 4.233 -3.209 0.98 12.44 O HETATM 4521 O HOH A 424 -23.178 -3.121 6.961 0.98 12.01 O HETATM 4522 O HOH A 425 7.623 6.253 21.657 0.98 11.57 O HETATM 4523 O HOH A 426 -2.717 -3.218 11.532 0.98 9.13 O HETATM 4524 O HOH A 427 -5.023 0.877 9.848 0.98 10.96 O HETATM 4525 O HOH A 428 -2.080 -12.032 22.907 0.98 7.42 O HETATM 4526 O HOH A 429 5.411 7.263 20.196 0.98 11.17 O HETATM 4527 O HOH A 430 3.520 5.396 29.757 0.98 13.20 O HETATM 4528 O HOH A 431 -17.821 -20.568 8.265 0.98 10.99 O HETATM 4529 O HOH A 432 1.150 9.000 24.370 0.98 12.22 O HETATM 4530 O HOH A 433 8.472 -3.707 21.103 0.98 9.10 O HETATM 4531 O HOH A 434 -26.463 2.937 20.770 0.98 13.24 O HETATM 4532 O HOH A 435 -6.995 -14.633 31.657 0.98 13.35 O HETATM 4533 O HOH A 436 -16.211 16.203 23.458 0.98 15.28 O HETATM 4534 O HOH A 437 -25.727 9.550 13.151 0.98 16.32 O HETATM 4535 O HOH A 438 -9.602 -7.666 34.156 0.98 12.20 O HETATM 4536 O HOH A 439 5.071 -7.139 22.195 0.98 15.58 O HETATM 4537 O HOH A 440 -24.911 -7.671 9.231 0.98 10.00 O HETATM 4538 O HOH A 441 -7.485 -8.344 32.580 0.98 10.63 O HETATM 4539 O HOH A 442 2.499 -12.944 5.428 0.98 16.14 O HETATM 4540 O HOH A 443 -18.009 10.735 11.289 0.98 12.30 O HETATM 4541 O HOH A 444 -20.309 11.046 26.445 0.98 13.93 O HETATM 4542 O HOH A 445 -12.113 2.991 30.859 0.98 14.14 O HETATM 4543 O HOH A 446 -9.262 -5.558 36.058 0.98 12.18 O HETATM 4544 O HOH A 447 -0.142 -13.949 22.289 0.98 17.48 O HETATM 4545 O HOH A 448 -9.299 15.807 12.131 0.98 14.41 O HETATM 4546 O HOH A 449 16.537 -8.905 11.486 0.98 12.93 O HETATM 4547 O HOH A 450 -7.990 -21.808 10.121 0.98 20.97 O HETATM 4548 O HOH A 451 -24.105 9.084 20.197 0.98 14.80 O HETATM 4549 O HOH A 452 -0.620 10.960 23.498 0.98 13.33 O HETATM 4550 O HOH A 453 -4.568 -11.633 32.151 0.98 14.90 O HETATM 4551 O HOH A 454 -18.488 -3.700 -2.392 0.98 16.81 O HETATM 4552 O HOH A 455 -16.310 -9.685 32.989 0.98 14.81 O HETATM 4553 O HOH A 456 -14.330 -16.384 28.977 0.98 19.03 O HETATM 4554 O HOH A 457 -12.327 10.853 5.561 0.98 18.72 O HETATM 4555 O HOH A 458 -7.031 6.107 6.538 0.98 18.11 O HETATM 4556 O HOH A 459 -23.187 -11.631 16.988 0.98 17.70 O HETATM 4557 O HOH A 460 -4.310 -8.049 31.129 0.98 12.86 O HETATM 4558 O HOH A 461 -12.926 -16.736 26.597 0.98 13.51 O HETATM 4559 O HOH A 462 -6.851 -20.004 19.525 0.98 16.83 O HETATM 4560 O HOH A 463 -12.996 13.613 31.810 0.98 14.89 O HETATM 4561 O HOH A 464 -1.327 9.629 27.817 0.98 17.53 O HETATM 4562 O HOH A 465 -23.880 -0.527 26.329 0.98 15.85 O HETATM 4563 O HOH A 466 3.935 -3.079 26.613 0.98 15.12 O HETATM 4564 O HOH A 467 -12.798 -17.131 17.028 0.98 12.39 O HETATM 4565 O HOH A 468 2.556 -11.276 9.522 0.98 14.94 O HETATM 4566 O HOH A 469 -12.801 8.151 28.818 0.98 14.08 O HETATM 4567 O HOH A 470 -26.022 7.954 6.418 0.98 14.25 O HETATM 4568 O HOH A 471 -14.888 20.520 17.581 0.98 15.11 O HETATM 4569 O HOH A 472 -11.932 9.498 3.161 0.98 14.13 O HETATM 4570 O HOH A 473 -9.161 0.487 -6.558 0.98 18.10 O HETATM 4571 O HOH A 474 -7.225 -8.418 -2.189 0.98 18.59 O HETATM 4572 O HOH A 475 -7.171 -16.955 1.546 0.98 17.77 O HETATM 4573 O HOH A 476 13.714 2.181 22.860 0.98 18.83 O HETATM 4574 O HOH A 477 0.453 -19.329 10.620 0.98 16.71 O HETATM 4575 O HOH A 478 -0.868 -8.305 32.692 0.98 13.71 O HETATM 4576 O HOH A 479 -1.202 -10.824 29.041 0.98 15.08 O HETATM 4577 O HOH A 480 -13.173 -18.362 14.659 0.98 14.07 O HETATM 4578 O HOH A 481 -1.495 4.772 -4.849 0.98 21.64 O HETATM 4579 O HOH A 482 15.628 -2.632 14.557 0.98 19.23 O HETATM 4580 O HOH A 483 -31.108 -7.239 22.570 0.98 17.64 O HETATM 4581 O HOH A 484 -24.807 4.447 8.657 0.98 15.56 O HETATM 4582 O HOH A 485 -15.570 0.587 -4.796 0.98 17.10 O HETATM 4583 O HOH A 486 -13.124 3.502 -6.844 0.98 15.41 O HETATM 4584 O HOH A 487 12.960 -5.718 24.475 0.98 25.74 O HETATM 4585 O HOH A 488 -3.755 -0.712 11.618 0.98 16.79 O HETATM 4586 O HOH A 489 -6.796 -5.155 37.401 0.98 11.39 O HETATM 4587 O HOH A 490 0.963 -11.553 25.216 0.98 19.56 O HETATM 4588 O HOH A 491 -1.288 -12.678 27.031 0.98 15.99 O HETATM 4589 O HOH A 492 -15.901 9.148 -1.922 0.98 18.38 O HETATM 4590 O HOH A 493 -3.380 -12.838 -2.704 0.98 20.98 O HETATM 4591 O HOH A 494 -26.102 -6.289 33.542 0.98 29.55 O HETATM 4592 O HOH A 495 -16.466 -15.265 32.793 0.98 29.02 O HETATM 4593 O HOH A 496 10.580 -8.663 8.664 0.98 26.88 O HETATM 4594 O HOH A 497 -14.487 -18.517 18.777 0.98 14.69 O HETATM 4595 O HOH A 498 -11.137 -19.308 7.351 0.98 22.55 O HETATM 4596 O HOH A 499 -7.784 -19.186 21.863 0.98 22.05 O HETATM 4597 O AHOH A 500 -24.253 -3.325 29.540 0.50 24.62 O HETATM 4598 O BHOH A 500 -23.966 -2.153 28.698 0.50 19.97 O HETATM 4599 O HOH A 501 -5.883 3.320 -5.946 0.98 18.91 O HETATM 4600 O HOH A 502 9.230 2.174 11.937 0.98 19.66 O HETATM 4601 O HOH A 503 -9.040 -10.028 -1.044 0.98 17.48 O HETATM 4602 O HOH A 504 -10.986 -23.475 12.248 0.98 17.75 O HETATM 4603 O HOH A 505 -10.276 -18.081 17.272 0.98 14.78 O HETATM 4604 O HOH A 506 -16.718 -1.286 39.724 0.98 21.02 O HETATM 4605 O HOH A 507 -18.862 17.921 18.750 0.98 16.69 O HETATM 4606 O HOH A 508 1.935 -15.438 9.424 0.98 19.13 O HETATM 4607 O HOH A 509 0.238 1.403 34.510 0.98 19.78 O HETATM 4608 O HOH A 510 -22.207 -18.421 13.726 0.98 18.60 O HETATM 4609 O HOH A 511 11.187 1.217 25.656 0.98 21.26 O HETATM 4610 O HOH A 512 -0.416 14.261 16.216 0.98 17.48 O HETATM 4611 O HOH A 513 -13.568 14.497 27.308 0.98 21.56 O HETATM 4612 O HOH A 514 -5.693 8.446 5.184 0.98 20.30 O HETATM 4613 O HOH A 515 -17.968 -11.783 31.646 0.98 25.37 O HETATM 4614 O HOH A 516 -0.028 0.754 -6.904 0.98 17.00 O HETATM 4615 O HOH A 517 -17.378 -16.344 21.959 0.98 23.18 O HETATM 4616 O HOH A 518 -26.992 -3.721 24.596 0.98 21.02 O HETATM 4617 O HOH A 519 -5.032 -9.297 33.362 0.98 17.84 O HETATM 4618 O HOH A 520 -15.100 19.742 13.107 0.98 16.58 O HETATM 4619 O HOH A 521 -1.743 -17.021 25.653 0.98 22.31 O HETATM 4620 O HOH A 522 -23.262 -18.385 6.393 0.98 16.65 O HETATM 4621 O HOH A 523 7.705 -7.237 -0.411 0.98 24.52 O HETATM 4622 O HOH A 524 -7.329 1.747 35.188 0.98 17.89 O HETATM 4623 O HOH A 525 4.276 -6.391 7.762 0.98 18.93 O HETATM 4624 O HOH A 526 15.163 -7.250 12.835 0.98 20.96 O HETATM 4625 O HOH A 527 -16.034 -12.167 24.425 0.98 14.85 O HETATM 4626 O HOH A 528 -24.847 -9.457 2.056 0.98 18.73 O HETATM 4627 O HOH A 529 -3.946 -20.578 15.708 0.98 25.07 O HETATM 4628 O HOH A 530 -29.762 6.569 7.478 0.98 24.23 O HETATM 4629 O HOH A 531 -1.932 -10.974 31.751 0.98 22.59 O HETATM 4630 O HOH A 532 -10.346 15.966 29.611 0.98 16.28 O HETATM 4631 O AHOH A 533 -12.741 13.109 29.007 0.50 24.02 O HETATM 4632 O BHOH A 533 -12.211 11.989 29.758 0.50 21.81 O HETATM 4633 O HOH A 534 -28.529 15.007 6.368 0.98 31.22 O HETATM 4634 O HOH A 535 -25.723 -15.330 8.014 0.98 19.45 O HETATM 4635 O HOH A 536 14.472 4.500 23.730 0.98 19.38 O HETATM 4636 O HOH A 537 -13.622 -0.953 -6.008 0.98 17.53 O HETATM 4637 O HOH A 538 -20.016 -3.849 41.292 0.98 20.37 O HETATM 4638 O HOH A 539 9.516 7.588 18.313 0.98 18.69 O HETATM 4639 O HOH A 540 -13.430 20.422 15.081 0.98 15.87 O HETATM 4640 O HOH A 541 -23.810 -3.504 4.297 0.98 23.75 O HETATM 4641 O HOH A 542 -15.041 2.968 38.433 0.98 28.68 O HETATM 4642 O HOH A 543 11.610 -0.432 16.143 0.98 16.50 O HETATM 4643 O HOH A 544 2.644 -3.951 7.822 0.98 22.58 O HETATM 4644 O HOH A 545 -18.617 -8.668 34.462 0.98 30.79 O HETATM 4645 O HOH A 546 1.456 -5.972 34.526 0.98 18.08 O HETATM 4646 O AHOH A 547 -4.793 5.190 -2.639 0.50 23.97 O HETATM 4647 O BHOH A 547 -5.340 5.320 -3.789 0.50 33.51 O HETATM 4648 O HOH A 548 -9.617 13.746 10.390 0.98 16.06 O HETATM 4649 O HOH A 549 -20.793 19.075 13.721 0.98 18.65 O HETATM 4650 O HOH A 550 -1.591 11.776 26.069 0.98 19.94 O HETATM 4651 O HOH A 551 4.235 -2.253 28.892 0.98 24.72 O HETATM 4652 O HOH A 552 -26.054 6.551 27.007 0.98 19.77 O HETATM 4653 O HOH A 553 -1.632 -8.134 35.214 0.98 26.33 O HETATM 4654 O HOH A 554 -28.495 -0.200 6.462 0.98 21.32 O HETATM 4655 O HOH A 555 -15.868 -10.359 -5.191 0.98 18.41 O HETATM 4656 O HOH A 556 2.015 -13.834 20.430 0.98 22.41 O HETATM 4657 O HOH A 557 -18.937 12.361 12.967 0.98 16.04 O HETATM 4658 O HOH A 558 -7.367 -17.220 32.186 0.98 26.47 O HETATM 4659 O HOH A 559 13.450 0.359 24.374 0.98 19.30 O HETATM 4660 O HOH A 560 -23.388 0.476 34.601 0.98 26.09 O HETATM 4661 O HOH A 561 -4.387 4.994 6.937 0.98 18.74 O HETATM 4662 O HOH A 562 -6.997 -8.527 -6.825 0.98 23.86 O HETATM 4663 O AHOH A 563 -25.183 -5.742 12.732 0.50 25.59 O HETATM 4664 O BHOH A 563 -25.925 -5.028 13.687 0.50 26.84 O HETATM 4665 O HOH A 564 -26.348 4.586 6.375 0.98 27.46 O HETATM 4666 O HOH A 565 -20.577 8.749 29.968 0.98 21.05 O HETATM 4667 O HOH A 566 -20.614 -4.742 -3.498 0.98 19.94 O HETATM 4668 O HOH A 567 -11.225 1.272 33.464 0.98 22.48 O HETATM 4669 O HOH A 568 -10.563 6.018 -4.264 0.98 26.68 O HETATM 4670 O HOH A 569 -19.519 17.604 5.983 0.98 16.24 O HETATM 4671 O HOH A 570 1.339 -17.360 7.083 0.98 25.19 O HETATM 4672 O HOH A 571 3.328 -8.549 -6.317 0.98 26.27 O HETATM 4673 O HOH A 572 -7.600 8.483 29.569 0.98 30.09 O HETATM 4674 O HOH A 573 -5.348 2.508 12.242 0.98 19.28 O HETATM 4675 O HOH A 574 3.016 -14.217 -5.559 0.98 30.85 O HETATM 4676 O HOH A 575 -10.928 -14.972 34.200 0.98 21.15 O HETATM 4677 O HOH A 576 -20.476 13.942 28.679 0.98 31.50 O HETATM 4678 O HOH A 577 3.549 10.186 23.690 0.98 21.34 O HETATM 4679 O HOH A 578 -25.797 -9.315 15.161 0.98 21.40 O HETATM 4680 O HOH A 579 -21.579 -14.247 18.995 0.98 25.01 O HETATM 4681 O HOH A 580 -32.069 4.301 10.325 0.98 29.41 O HETATM 4682 O HOH A 581 -5.662 -11.373 36.580 0.98 36.52 O HETATM 4683 O HOH A 582 -1.292 -5.692 36.471 0.98 19.55 O HETATM 4684 O HOH A 583 -25.288 12.749 6.976 0.98 20.56 O HETATM 4685 O HOH A 584 -12.901 -22.195 8.761 0.98 24.24 O HETATM 4686 O HOH A 585 -1.142 4.060 13.966 0.98 27.61 O HETATM 4687 O HOH A 586 9.467 8.393 21.314 0.98 25.07 O HETATM 4688 O HOH A 587 5.365 -8.893 6.772 0.98 32.00 O HETATM 4689 O HOH A 588 -4.862 -18.290 23.256 0.98 25.67 O HETATM 4690 O HOH A 589 -14.845 -15.913 24.930 0.98 34.22 O HETATM 4691 O HOH A 590 3.499 -3.012 4.509 0.98 27.27 O HETATM 4692 O HOH A 591 3.055 -13.522 8.038 0.98 19.65 O HETATM 4693 O HOH A 592 -4.467 -16.115 1.000 0.98 22.47 O HETATM 4694 O HOH A 593 -26.883 -17.451 8.271 0.98 22.22 O HETATM 4695 O HOH A 594 -22.761 20.102 12.243 0.98 26.60 O HETATM 4696 O HOH A 595 12.043 -6.467 7.970 0.98 32.23 O HETATM 4697 O HOH A 596 -14.827 -11.803 -3.432 0.98 29.84 O HETATM 4698 O HOH A 597 -8.344 -17.623 34.827 0.98 25.65 O HETATM 4699 O HOH A 598 6.892 8.397 18.030 0.98 21.99 O HETATM 4700 O HOH A 599 13.116 -4.063 13.835 0.98 23.05 O HETATM 4701 O HOH A 600 -6.197 3.233 14.315 0.98 35.51 O HETATM 4702 O HOH A 601 -10.868 -11.444 -2.523 0.98 29.95 O HETATM 4703 O HOH A 602 1.768 8.431 27.601 0.98 29.41 O HETATM 4704 O HOH A 603 -19.886 -13.419 24.604 0.98 30.88 O HETATM 4705 O HOH A 604 0.983 -18.689 13.133 0.98 23.31 O HETATM 4706 O HOH A 605 -2.061 8.630 30.459 0.98 25.47 O HETATM 4707 O HOH A 606 9.219 -9.744 14.165 0.98 25.18 O HETATM 4708 O HOH A 607 8.113 3.485 27.845 0.98 27.96 O HETATM 4709 O HOH A 608 -13.325 -22.439 11.383 0.98 28.01 O HETATM 4710 O HOH A 609 3.712 4.555 10.331 0.98 31.67 O HETATM 4711 O HOH A 610 -4.601 3.896 10.366 0.98 35.17 O HETATM 4712 O HOH A 611 -16.890 18.297 22.131 0.98 23.31 O HETATM 4713 O HOH A 612 0.788 -8.972 -5.429 0.98 31.21 O HETATM 4714 O HOH A 613 -2.881 18.211 14.561 0.98 25.73 O HETATM 4715 O HOH A 614 -6.289 -2.303 -8.145 0.98 32.71 O HETATM 4716 O HOH A 615 -13.954 7.922 -4.906 0.98 26.55 O HETATM 4717 O HOH A 616 -22.928 15.717 21.039 0.98 34.55 O HETATM 4718 O HOH A 617 6.747 -5.609 6.747 0.98 26.80 O HETATM 4719 O HOH A 618 -27.922 5.485 14.838 0.98 23.26 O HETATM 4720 O HOH A 619 5.349 9.448 21.752 0.98 23.75 O HETATM 4721 O HOH A 620 -6.977 -10.119 -4.453 0.98 26.43 O HETATM 4722 O HOH A 621 0.114 19.729 17.635 0.98 31.47 O HETATM 4723 O HOH A 622 -5.454 -17.945 3.340 0.98 24.40 O HETATM 4724 O HOH A 623 -24.563 18.218 6.417 0.98 27.91 O HETATM 4725 O HOH A 624 -26.477 1.015 23.481 0.98 26.08 O HETATM 4726 O HOH A 625 5.785 0.958 8.287 0.98 27.58 O HETATM 4727 O HOH A 626 -18.868 -6.051 45.434 0.98 26.28 O HETATM 4728 O HOH A 627 -26.911 -0.273 3.778 0.98 26.43 O HETATM 4729 O HOH A 628 -26.313 3.934 15.338 0.98 26.92 O HETATM 4730 O HOH A 629 -20.560 -7.049 -2.155 0.98 32.93 O HETATM 4731 O HOH A 630 4.809 -7.437 26.000 0.98 30.36 O HETATM 4732 O HOH A 631 2.939 -8.963 27.360 0.98 35.34 O HETATM 4733 O HOH A 632 -5.273 2.623 37.459 0.98 20.52 O HETATM 4734 O HOH A 633 7.314 -3.700 -10.580 0.98 21.72 O HETATM 4735 O HOH A 634 -23.663 -0.075 32.015 0.98 26.74 O HETATM 4736 O HOH A 635 -18.346 -2.995 45.359 0.98 30.37 O HETATM 4737 O HOH A 636 4.454 -10.979 -7.099 0.98 31.08 O HETATM 4738 O HOH A 637 -17.210 -4.521 -4.818 0.98 25.37 O HETATM 4739 O HOH A 638 -17.631 -13.343 29.279 0.98 38.25 O HETATM 4740 O HOH A 639 -13.546 -16.654 0.020 0.98 32.87 O HETATM 4741 O HOH A 640 12.511 0.001 12.282 0.98 23.97 O HETATM 4742 O HOH A 641 -25.709 11.302 19.504 0.98 24.20 O HETATM 4743 O HOH A 642 -16.171 -1.499 46.178 0.98 32.76 O HETATM 4744 O HOH A 643 -25.527 -19.385 7.122 0.98 23.99 O HETATM 4745 O HOH A 644 6.878 -0.036 33.115 0.98 36.49 O HETATM 4746 O HOH A 645 -28.480 5.856 25.798 0.98 23.60 O HETATM 4747 O HOH A 646 -2.445 -19.037 5.910 0.98 22.55 O HETATM 4748 O HOH A 647 -19.151 2.130 40.964 0.98 31.43 O HETATM 4749 O HOH A 648 6.999 -3.142 29.996 0.98 30.07 O HETATM 4750 O HOH A 649 -4.286 -5.772 -7.921 0.98 22.53 O HETATM 4751 O HOH A 650 -12.149 16.664 9.348 0.98 28.65 O HETATM 4752 O HOH A 651 -26.429 4.084 3.962 0.98 26.54 O HETATM 4753 O HOH A 652 4.263 -11.106 7.287 0.98 31.39 O HETATM 4754 O HOH A 653 -11.923 0.827 -7.620 0.98 26.25 O HETATM 4755 O HOH A 654 1.458 -9.841 31.965 0.98 33.73 O HETATM 4756 O HOH A 655 -15.795 9.736 31.931 0.98 36.82 O HETATM 4757 O HOH A 656 -16.594 17.412 25.909 0.98 27.34 O HETATM 4758 O HOH A 657 -25.834 -0.997 34.863 0.98 32.08 O HETATM 4759 O HOH A 658 1.615 13.031 17.188 0.98 33.03 O HETATM 4760 O HOH A 659 -11.419 -14.071 -3.624 0.98 35.93 O HETATM 4761 O HOH A 660 -18.938 20.666 15.111 0.98 23.40 O HETATM 4762 O HOH A 661 -27.219 -6.768 7.907 0.98 34.29 O HETATM 4763 O HOH A 662 -18.239 -7.711 39.215 0.98 25.44 O HETATM 4764 O HOH A 663 -28.880 8.100 15.813 0.98 32.57 O HETATM 4765 O HOH A 664 0.383 7.498 29.651 0.98 27.82 O HETATM 4766 O HOH A 665 8.437 -13.014 8.843 0.98 33.00 O HETATM 4767 O HOH A 666 1.842 9.344 31.017 0.98 34.38 O HETATM 4768 O HOH A 667 8.577 -10.232 24.889 0.98 42.10 O HETATM 4769 O HOH A 668 -6.551 -11.017 39.040 0.98 27.79 O HETATM 4770 O HOH A 669 11.403 -3.715 7.351 0.98 33.95 O HETATM 4771 O HOH A 670 7.156 -2.450 6.917 0.98 32.41 O HETATM 4772 O HOH A 671 -19.771 -1.719 43.171 0.98 34.33 O HETATM 4773 O HOH A 672 5.272 -1.053 -5.354 0.98 29.10 O HETATM 4774 O HOH A 673 -27.082 -12.468 19.847 0.98 34.75 O HETATM 4775 O HOH A 674 -30.352 4.666 27.562 0.98 34.42 O HETATM 4776 O HOH A 675 -16.824 -13.799 26.315 0.98 22.26 O HETATM 4777 O HOH A 676 0.078 -6.727 -7.288 0.98 31.76 O HETATM 4778 O HOH A 677 -5.499 5.676 14.236 0.98 26.06 O HETATM 4779 O HOH A 678 -0.716 6.914 31.992 0.98 22.76 O HETATM 4780 O HOH A 679 -1.523 -16.668 4.718 0.98 25.08 O HETATM 4781 O HOH A 680 10.910 -2.565 13.207 0.98 30.88 O HETATM 4782 O HOH A 681 9.898 -15.060 9.033 0.98 36.24 O HETATM 4783 O HOH A 682 -17.630 20.142 17.546 1.00 18.93 O HETATM 4784 O AHOH A 683 -22.726 -14.449 11.154 0.42 9.73 O HETATM 4785 O BHOH A 683 -23.432 -13.262 11.394 0.58 13.82 O HETATM 4786 O HOH A 684 6.867 -7.812 -10.290 1.00 23.54 O HETATM 4787 O HOH A 685 2.920 1.110 -1.812 1.00 30.15 O HETATM 4788 O HOH A 686 2.604 -2.202 37.161 1.00 34.51 O HETATM 4789 O HOH A 687 -1.316 16.778 12.460 1.00 25.69 O HETATM 4790 O HOH A 688 0.736 3.634 1.898 1.00 27.39 O HETATM 4791 O HOH A 689 -24.728 16.770 9.302 1.00 36.18 O HETATM 4792 O HOH A 690 -25.980 14.693 8.861 1.00 24.19 O HETATM 4793 O HOH A 691 9.555 -0.202 14.550 0.94 25.76 O HETATM 4794 O HOH A 692 -27.010 -10.816 22.563 0.94 27.55 O HETATM 4795 O HOH A 693 5.063 -4.071 6.174 0.94 33.78 O HETATM 4796 O HOH A 694 4.046 -0.366 36.249 0.94 31.12 O HETATM 4797 O HOH A 695 -26.004 12.030 16.741 0.97 31.58 O CONECT 1531 4452 CONECT 1568 4452 CONECT 1946 4452 CONECT 4452 1531 1568 1946 4455 CONECT 4453 4454 4457 CONECT 4454 4453 4455 CONECT 4455 4452 4454 4456 CONECT 4456 4455 4457 CONECT 4457 4453 4456 CONECT 4458 4459 4462 CONECT 4459 4458 4460 CONECT 4460 4459 4461 CONECT 4461 4460 4462 CONECT 4462 4458 4461 CONECT 4463 4464 4467 CONECT 4464 4463 4465 CONECT 4465 4464 4466 CONECT 4466 4465 4467 CONECT 4467 4463 4466 CONECT 4468 4469 4472 CONECT 4469 4468 4470 CONECT 4470 4469 4471 CONECT 4471 4470 4472 CONECT 4472 4468 4471 CONECT 4473 4474 4477 CONECT 4474 4473 4475 CONECT 4475 4474 4476 CONECT 4476 4475 4477 CONECT 4477 4473 4476 CONECT 4478 4479 4482 CONECT 4479 4478 4480 CONECT 4480 4479 4481 CONECT 4481 4480 4482 CONECT 4482 4478 4481 CONECT 4483 4484 4487 CONECT 4484 4483 4485 CONECT 4485 4484 4486 CONECT 4486 4485 4487 CONECT 4487 4483 4486 CONECT 4488 4489 4492 CONECT 4489 4488 4490 CONECT 4490 4489 4491 CONECT 4491 4490 4492 CONECT 4492 4488 4491 CONECT 4493 4494 4497 CONECT 4494 4493 4495 CONECT 4495 4494 4496 CONECT 4496 4495 4497 CONECT 4497 4493 4496 END