HEADER TRANSFERASE 25-FEB-97 2HCK TITLE SRC FAMILY KINASE HCK-QUERCETIN COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMATOPOETIC CELL KINASE HCK; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: SH3-SH2-KINASE-REGULATORY TAIL; COMPND 5 EC: 2.7.1.112; COMPND 6 ENGINEERED: YES; COMPND 7 BIOLOGICAL_UNIT: MONOMER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 EXPRESSION_SYSTEM: INSECT CELLS; SOURCE 5 EXPRESSION_SYSTEM_CELL_LINE: SF9; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS; SOURCE 7 EXPRESSION_SYSTEM_GENE: HUMAN HCK KEYWDS TRANSFERASE, PROTEIN TYROSINE KINASE, SIGNAL TRANSDUCTION, KEYWDS 2 SH2, SH3 EXPDTA X-RAY DIFFRACTION AUTHOR F.SICHERI,I.MOAREFI,J.KURIYAN REVDAT 1 20-AUG-97 2HCK 0 JRNL AUTH F.SICHERI,I.MOAREFI,J.KURIYAN JRNL TITL CRYSTAL STRUCTURE OF THE SRC FAMILY TYROSINE KINASE JRNL TITL 2 HCK JRNL REF NATURE V. 385 602 1997 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 0006 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 3.0 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.0 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 18. REMARK 3 DATA CUTOFF (SIGMA(F)) : 0. REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.00 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.001 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.1 REMARK 3 NUMBER OF REFLECTIONS : 24477 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.228 REMARK 3 FREE R VALUE : 0.311 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5. REMARK 3 FREE R VALUE TEST SET COUNT : 1224 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 13 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.0 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.08 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.0 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1655 REMARK 3 BIN R VALUE (WORKING SET) : 0.355 REMARK 3 BIN FREE R VALUE : 0.423 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5. REMARK 3 BIN FREE R VALUE TEST SET COUNT : 58 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 6972 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 46 REMARK 3 SOLVENT ATOMS : 2 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 57.5 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.2 REMARK 3 B22 (A**2) : -18.3 REMARK 3 B33 (A**2) : 17.4 REMARK 3 B12 (A**2) : 0. REMARK 3 B13 (A**2) : 0. REMARK 3 B23 (A**2) : 0. REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.018 REMARK 3 BOND ANGLES (DEGREES) : 3.7 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.9 ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.4 ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : RESTRAINTS REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARAM19X.PRO REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPH19X.PRO REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2HCK COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 6 REMARK 6 THE ORIENTATION PLANES OF THE QUERCETIN INHIBITORS IN BOTH REMARK 6 HCK MOLECULES OF THE ASYMMETRIC UNIT ARE RELIABLY REMARK 6 DETERMINED. THE POSITION AND ORIENTATION OF THE QUERCETIN REMARK 6 INHIBITOR IN HCK MOLECULE 1 AND THE POSITION OF THE REMARK 6 BRIDGING WATER MOLECULE, HOH 4, IS RELIABLY DETERMINED AS REMARK 6 CONFIRMED BY 'SIMULATED ANNEALING OMIT' ELECTRON DENSITY REMARK 6 MAPS. THE ORIENTATION AND POSITION OF THE QUERCETIN REMARK 6 INHIBITOR IN HCK MOLECULE 2 IS NOT RELIABLY DETERMINED. REMARK 6 BOOMERANG SHAPED PLANAR ELECTRON DENSITY CAN BE EQUALLY REMARK 6 ACCOUNTED FOR BY TWO ORIENTATIONS OF THE QUERCETIN REMARK 6 INHIBITOR. THE TWO ORIENTATIONS ARE RELATED BY A 180 REMARK 6 DEGREE ROTATION PERPENDICULAR TO THE LONG AXIS OF THE REMARK 6 QUERCETIN MOLECULE. THE AUTHORS HAVE CHOSEN TO MODEL THE REMARK 6 QUERCETIN INHIBITOR IN HCK MOLECULE 2 IN THE SAME REMARK 6 ORIENTATION AS THAT RELIABLY DETERMINED FOR THE QUERCETIN REMARK 6 INHIBITOR IN HCK MOLECULE 1. REMARK 7 REMARK 7 RESIDUES 412 TO 421 OF THE ACTIVATION SEGMENT ARE REMARK 7 DISORDERED AND HAVE NOT BEEN MODELED. REMARK 8 REMARK 8 THE FOLLOWING DISORDERED SIDE CHAINS WERE MODELED AS REMARK 8 ALANINE: ASP 192, ARG 194, GLN 195, ASN 209, GLU 225, REMARK 8 ASN 234, GLN 277, ARG 409, VAL 410, ILE 411, LYS 423, REMARK 8 GLU 476. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NOV-1996 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NI FILTER REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 385451 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.0 REMARK 200 RESOLUTION RANGE LOW (A) : 18. REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.1 REMARK 200 DATA REDUNDANCY : 15.7 REMARK 200 R MERGE (I) : 0.079 REMARK 200 R SYM (I) : 0.079 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 17.7 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.0 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.11 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.4 REMARK 200 DATA REDUNDANCY IN SHELL : 6. REMARK 200 R MERGE FOR SHELL (I) : 0.145 REMARK 200 R SYM FOR SHELL (I) : 0.145 REMARK 200 <I/SIGMA(I)> FOR SHELL : 4.5 REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIRAS/MAD REMARK 200 SOFTWARE USED: PHASES REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HANGING DROPS (1UL) OF 50MG/ML REMARK 280 PROTEIN AND 10MM QUERCETIN WERE MIXED WITH EQUAL VOLUMES REMARK 280 OF RESERVOIR BUFFER CONTAINING 150 MM CALCIUM ACETATE, REMARK 280 100MM CACODYLATE (PH 6.5), 7% PEG 8000 AND 16% V/V REMARK 280 ETHYLENE GLYCOL. THE MIXED DROPS WERE THEN SEEDED AND REMARK 280 STORED AT 19 DEGREES C. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 1/2-X,-Y,1/2+Z REMARK 290 3555 -X,1/2+Y,1/2-Z REMARK 290 4555 1/2+X,1/2-Y,-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 36.75119 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 88.44861 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 46.65049 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 88.44861 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 36.75119 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 46.65049 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 82 CG CD OE1 OE2 REMARK 470 ASP A 83 CG OD1 OD2 REMARK 470 ASP A 192 CG OD1 OD2 REMARK 470 ARG A 194 CG CD NE CZ NH1 NH2 REMARK 470 GLN A 195 CG CD OE1 NE2 REMARK 470 ASN A 209 CG OD1 ND2 REMARK 470 GLU A 225 CG CD OE1 OE2 REMARK 470 ASN A 234 CG OD1 ND2 REMARK 470 GLN A 277 CG CD OE1 NE2 REMARK 470 ARG A 409 CG CD NE CZ NH1 NH2 REMARK 470 VAL A 410 CG1 CG2 REMARK 470 LYS A 423 CG CD CE NZ REMARK 470 GLU A 476 CG CD OE1 OE2 REMARK 470 GLU B 82 CG CD OE1 OE2 REMARK 470 ASP B 83 CG OD1 OD2 REMARK 470 ASP B 192 CG OD1 OD2 REMARK 470 ARG B 194 CG CD NE CZ NH1 NH2 REMARK 470 GLN B 195 CG CD OE1 NE2 REMARK 470 ASN B 209 CG OD1 ND2 REMARK 470 GLU B 225 CG CD OE1 OE2 REMARK 470 ASN B 234 CG OD1 ND2 REMARK 470 GLN B 277 CG CD OE1 NE2 REMARK 470 ARG B 409 CG CD NE CZ NH1 NH2 REMARK 470 VAL B 410 CG1 CG2 REMARK 470 LYS B 423 CG CD CE NZ REMARK 470 GLU B 476 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ASP A 192 PRO A 193 0 233.78 REMARK 500 ASP B 192 PRO B 193 0 220.23 REMARK 500 ILE B 262 PRO B 263 0 146.37 REMARK 550 REMARK 550 SEGID REMARK 550 MOL1: MOLECULE 1 REMARK 550 MOL2: MOLECULE 2 REMARK 550 CA+: CALCIUM IONS REMARK 550 WAT: WATER MOLECULES REMARK 600 REMARK 600 HETEROGEN REMARK 600 QUE: QUERCETIN, 3,5,7,3',4'-PENTAHYDROXYFLAVONE REMARK 600 PTR: PHOSPHOTYROSINE REMARK 850 REMARK 850 CORRECTION BEFORE RELEASE REMARK 850 ORIGINAL DEPOSITION REVISED PRIOR TO RELEASE REMARK 850 DATE REVISED: 22-MAY-1997 TRACKING NUMBER: T10802 REMARK 999 REMARK 999 SEQUENCE REMARK 999 2HCK A SWS P08631 1 - 78 NOT IN ATOMS LIST REMARK 999 2HCK B SWS P08631 1 - 78 NOT IN ATOMS LIST REMARK 999 REMARK 999 REFERENCE: RESIDUE NUMBERING CORRESPONDS TO CHICKEN SRC. REMARK 999 SEE PRIMARY REFERENCE SICHERI, MOAREFI, KURIYAN, NATURE REMARK 999 (1997) FOR DESCRIPTION (FIGURE). DBREF 2HCK A 82 411 SWS P08631 HCK_HUMAN 79 416 DBREF 2HCK A 422 531 SWS P08631 HCK_HUMAN 417 526 DBREF 2HCK B 82 411 SWS P08631 HCK_HUMAN 79 416 DBREF 2HCK B 422 531 SWS P08631 HCK_HUMAN 417 526 SEQADV 2HCK A SWS P08631 ILE 406 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 GLU 407 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 ASP 408 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 ASN 409 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 GLU 410 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 TYR 411 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 THR 412 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 ALA 413 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 ARG 414 GAP IN PDB ENTRY SEQADV 2HCK A SWS P08631 GLU 415 GAP IN PDB ENTRY SEQADV 2HCK PTR A 527 SWS P08631 TYR 522 MODIFIED RESIDUE SEQADV 2HCK B SWS P08631 ILE 406 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 GLU 407 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 ASP 408 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 ASN 409 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 GLU 410 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 TYR 411 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 THR 412 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 ALA 413 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 ARG 414 GAP IN PDB ENTRY SEQADV 2HCK B SWS P08631 GLU 415 GAP IN PDB ENTRY SEQADV 2HCK PTR B 527 SWS P08631 TYR 522 MODIFIED RESIDUE SEQRES 1 A 438 GLU ASP ILE ILE VAL VAL ALA LEU TYR ASP TYR GLU ALA SEQRES 2 A 438 ILE HIS HIS GLU ASP LEU SER PHE GLN LYS GLY ASP GLN SEQRES 3 A 438 MET VAL VAL LEU GLU GLU SER GLY GLU TRP TRP LYS ALA SEQRES 4 A 438 ARG SER LEU ALA THR ARG LYS GLU GLY TYR ILE PRO SER SEQRES 5 A 438 ASN TYR VAL ALA ARG VAL ASP SER LEU GLU THR GLU GLU SEQRES 6 A 438 TRP PHE PHE LYS GLY ILE SER ARG LYS ASP ALA GLU ARG SEQRES 7 A 438 GLN LEU LEU ALA PRO GLY ASN MET LEU GLY SER PHE MET SEQRES 8 A 438 ILE ARG ASP SER GLU THR THR LYS GLY SER TYR SER LEU SEQRES 9 A 438 SER VAL ARG ASP TYR ASP PRO ARG GLN GLY ASP THR VAL SEQRES 10 A 438 LYS HIS TYR LYS ILE ARG THR LEU ASP ASN GLY GLY PHE SEQRES 11 A 438 TYR ILE SER PRO ARG SER THR PHE SER THR LEU GLN GLU SEQRES 12 A 438 LEU VAL ASP HIS TYR LYS LYS GLY ASN ASP GLY LEU CYS SEQRES 13 A 438 GLN LYS LEU SER VAL PRO CYS MET SER SER LYS PRO GLN SEQRES 14 A 438 LYS PRO TRP GLU LYS ASP ALA TRP GLU ILE PRO ARG GLU SEQRES 15 A 438 SER LEU LYS LEU GLU LYS LYS LEU GLY ALA GLY GLN PHE SEQRES 16 A 438 GLY GLU VAL TRP MET ALA THR TYR ASN LYS HIS THR LYS SEQRES 17 A 438 VAL ALA VAL LYS THR MET LYS PRO GLY SER MET SER VAL SEQRES 18 A 438 GLU ALA PHE LEU ALA GLU ALA ASN VAL MET LYS THR LEU SEQRES 19 A 438 GLN HIS ASP LYS LEU VAL LYS LEU HIS ALA VAL VAL THR SEQRES 20 A 438 LYS GLU PRO ILE TYR ILE ILE THR GLU PHE MET ALA LYS SEQRES 21 A 438 GLY SER LEU LEU ASP PHE LEU LYS SER ASP GLU GLY SER SEQRES 22 A 438 LYS GLN PRO LEU PRO LYS LEU ILE ASP PHE SER ALA GLN SEQRES 23 A 438 ILE ALA GLU GLY MET ALA PHE ILE GLU GLN ARG ASN TYR SEQRES 24 A 438 ILE HIS ARG ASP LEU ARG ALA ALA ASN ILE LEU VAL SER SEQRES 25 A 438 ALA SER LEU VAL CYS LYS ILE ALA ASP PHE GLY LEU ALA SEQRES 26 A 438 ARG VAL GLY ALA LYS PHE PRO ILE LYS TRP THR ALA PRO SEQRES 27 A 438 GLU ALA ILE ASN PHE GLY SER PHE THR ILE LYS SER ASP SEQRES 28 A 438 VAL TRP SER PHE GLY ILE LEU LEU MET GLU ILE VAL THR SEQRES 29 A 438 TYR GLY ARG ILE PRO TYR PRO GLY MET SER ASN PRO GLU SEQRES 30 A 438 VAL ILE ARG ALA LEU GLU ARG GLY TYR ARG MET PRO ARG SEQRES 31 A 438 PRO GLU ASN CYS PRO GLU GLU LEU TYR ASN ILE MET MET SEQRES 32 A 438 ARG CYS TRP LYS ASN ARG PRO GLU GLU ARG PRO THR PHE SEQRES 33 A 438 GLU TYR ILE GLN SER VAL LEU ASP ASP PHE TYR THR ALA SEQRES 34 A 438 THR GLU SER GLN PTR GLN GLN GLN PRO SEQRES 1 B 438 GLU ASP ILE ILE VAL VAL ALA LEU TYR ASP TYR GLU ALA SEQRES 2 B 438 ILE HIS HIS GLU ASP LEU SER PHE GLN LYS GLY ASP GLN SEQRES 3 B 438 MET VAL VAL LEU GLU GLU SER GLY GLU TRP TRP LYS ALA SEQRES 4 B 438 ARG SER LEU ALA THR ARG LYS GLU GLY TYR ILE PRO SER SEQRES 5 B 438 ASN TYR VAL ALA ARG VAL ASP SER LEU GLU THR GLU GLU SEQRES 6 B 438 TRP PHE PHE LYS GLY ILE SER ARG LYS ASP ALA GLU ARG SEQRES 7 B 438 GLN LEU LEU ALA PRO GLY ASN MET LEU GLY SER PHE MET SEQRES 8 B 438 ILE ARG ASP SER GLU THR THR LYS GLY SER TYR SER LEU SEQRES 9 B 438 SER VAL ARG ASP TYR ASP PRO ARG GLN GLY ASP THR VAL SEQRES 10 B 438 LYS HIS TYR LYS ILE ARG THR LEU ASP ASN GLY GLY PHE SEQRES 11 B 438 TYR ILE SER PRO ARG SER THR PHE SER THR LEU GLN GLU SEQRES 12 B 438 LEU VAL ASP HIS TYR LYS LYS GLY ASN ASP GLY LEU CYS SEQRES 13 B 438 GLN LYS LEU SER VAL PRO CYS MET SER SER LYS PRO GLN SEQRES 14 B 438 LYS PRO TRP GLU LYS ASP ALA TRP GLU ILE PRO ARG GLU SEQRES 15 B 438 SER LEU LYS LEU GLU LYS LYS LEU GLY ALA GLY GLN PHE SEQRES 16 B 438 GLY GLU VAL TRP MET ALA THR TYR ASN LYS HIS THR LYS SEQRES 17 B 438 VAL ALA VAL LYS THR MET LYS PRO GLY SER MET SER VAL SEQRES 18 B 438 GLU ALA PHE LEU ALA GLU ALA ASN VAL MET LYS THR LEU SEQRES 19 B 438 GLN HIS ASP LYS LEU VAL LYS LEU HIS ALA VAL VAL THR SEQRES 20 B 438 LYS GLU PRO ILE TYR ILE ILE THR GLU PHE MET ALA LYS SEQRES 21 B 438 GLY SER LEU LEU ASP PHE LEU LYS SER ASP GLU GLY SER SEQRES 22 B 438 LYS GLN PRO LEU PRO LYS LEU ILE ASP PHE SER ALA GLN SEQRES 23 B 438 ILE ALA GLU GLY MET ALA PHE ILE GLU GLN ARG ASN TYR SEQRES 24 B 438 ILE HIS ARG ASP LEU ARG ALA ALA ASN ILE LEU VAL SER SEQRES 25 B 438 ALA SER LEU VAL CYS LYS ILE ALA ASP PHE GLY LEU ALA SEQRES 26 B 438 ARG VAL GLY ALA LYS PHE PRO ILE LYS TRP THR ALA PRO SEQRES 27 B 438 GLU ALA ILE ASN PHE GLY SER PHE THR ILE LYS SER ASP SEQRES 28 B 438 VAL TRP SER PHE GLY ILE LEU LEU MET GLU ILE VAL THR SEQRES 29 B 438 TYR GLY ARG ILE PRO TYR PRO GLY MET SER ASN PRO GLU SEQRES 30 B 438 VAL ILE ARG ALA LEU GLU ARG GLY TYR ARG MET PRO ARG SEQRES 31 B 438 PRO GLU ASN CYS PRO GLU GLU LEU TYR ASN ILE MET MET SEQRES 32 B 438 ARG CYS TRP LYS ASN ARG PRO GLU GLU ARG PRO THR PHE SEQRES 33 B 438 GLU TYR ILE GLN SER VAL LEU ASP ASP PHE TYR THR ALA SEQRES 34 B 438 THR GLU SER GLN PTR GLN GLN GLN PRO MODRES 2HCK PTR A 527 TYR PHOSPHONATED TYROSINE MODRES 2HCK PTR B 527 TYR PHOSPHONATED TYROSINE HET PTR A 527 17 HET QUE A 1 22 HET PTR B 527 17 HET QUE B 1 22 HET CA 1 1 HET CA 2 1 HETNAM PTR PHOSPHOTYROSINE HETNAM QUE 3,5,7,3',4'-PENTAHYDROXYFLAVONE HETNAM CA CALCIUM ION HETSYN PTR PHOSPHONOTYROSINE FORMUL 1 PTR C9 H12 N1 O6 P1 FORMUL 3 QUE 2(C15 H10 O7) FORMUL 2 PTR C9 H12 N1 O6 P1 FORMUL 4 CA 2(CA1 2+) FORMUL 5 HOH *4(H2 O1) HELIX 1 1 SER A 134 TYR A 136 5 3 HELIX 2 2 LEU A 143 THR A 145 5 3 HELIX 3 3 ARG A 155 LEU A 162 1 8 HELIX 4 4 LEU A 223 LYS A 232 1 10 HELIX 5 5 ARG A 264 SER A 266 5 3 HELIX 6 6 VAL A 304 THR A 316 1 13 HELIX 7 7 LEU A 346 LYS A 351 1 6 HELIX 8 8 ASP A 353 SER A 356 1 4 HELIX 9 9 LEU A 360 GLN A 379 1 20 HELIX 10 10 ALA A 389 ASN A 391 5 3 HELIX 11 11 ILE A 426 TRP A 428 5 3 HELIX 12 12 PRO A 431 PHE A 436 1 6 HELIX 13 13 ILE A 441 VAL A 456 1 16 HELIX 14 14 GLU A 470 GLU A 476 1 7 HELIX 15 15 GLU A 489 CYS A 498 1 10 HELIX 16 16 PRO A 503 GLU A 505 5 3 HELIX 17 17 PHE A 509 ASP A 517 1 9 HELIX 18 18 THR A 523 SER A 525 5 3 HELIX 19 19 SER B 134 TYR B 136 5 3 HELIX 20 20 LEU B 143 THR B 145 5 3 HELIX 21 21 ARG B 155 LEU B 162 1 8 HELIX 22 22 LEU B 223 LYS B 232 1 10 HELIX 23 23 ARG B 264 SER B 266 5 3 HELIX 24 24 TYR B 286 LYS B 288 5 3 HELIX 25 25 VAL B 304 THR B 316 1 13 HELIX 26 26 LEU B 346 LYS B 351 1 6 HELIX 27 27 ASP B 353 LYS B 357 1 5 HELIX 28 28 LEU B 360 GLN B 379 1 20 HELIX 29 29 ALA B 389 ASN B 391 5 3 HELIX 30 30 ILE B 426 TRP B 428 5 3 HELIX 31 31 PRO B 431 PHE B 436 1 6 HELIX 32 32 ILE B 441 VAL B 456 1 16 HELIX 33 33 ASN B 468 GLU B 476 5 9 HELIX 34 34 GLU B 489 CYS B 498 1 10 HELIX 35 35 PRO B 503 GLU B 505 5 3 HELIX 36 36 PHE B 509 ASP B 517 1 9 HELIX 37 37 THR B 523 SER B 525 5 3 SHEET 1 A 5 VAL A 137 ARG A 139 0 SHEET 2 A 5 ILE A 85 ALA A 88 -1 N VAL A 87 O ALA A 138 SHEET 3 A 5 GLN A 107 GLU A 113 -1 N MET A 108 O VAL A 86 SHEET 4 A 5 TRP A 118 SER A 123 -1 N ARG A 122 O VAL A 109 SHEET 5 A 5 GLU A 129 PRO A 133 -1 N ILE A 132 O TRP A 119 SHEET 1 B 3 PHE A 172 ASP A 176 0 SHEET 2 B 3 TYR A 184 TYR A 191 -1 N SER A 187 O MET A 173 SHEET 3 B 3 ASP A 197 ILE A 204 -1 N ILE A 204 O TYR A 184 SHEET 1 C 5 GLY A 274 GLY A 276 0 SHEET 2 C 5 GLY A 279 TYR A 286 -1 N VAL A 281 O GLY A 274 SHEET 3 C 5 THR A 290 MET A 297 -1 N THR A 296 O GLU A 280 SHEET 4 C 5 ILE A 334 THR A 338 -1 N THR A 338 O ALA A 293 SHEET 5 C 5 ALA A 327 VAL A 329 -1 N VAL A 329 O TYR A 335 SHEET 1 D 2 ILE A 392 VAL A 394 0 SHEET 2 D 2 CYS A 400 ILE A 402 -1 N LYS A 401 O LEU A 393 SHEET 1 E 5 VAL B 137 ARG B 139 0 SHEET 2 E 5 ILE B 85 ALA B 88 -1 N VAL B 87 O ALA B 138 SHEET 3 E 5 GLN B 107 SER B 114 -1 N MET B 108 O VAL B 86 SHEET 4 E 5 TRP B 118 SER B 123 -1 N ARG B 122 O VAL B 109 SHEET 5 E 5 GLU B 129 PRO B 133 -1 N ILE B 132 O TRP B 119 SHEET 1 F 3 PHE B 172 ASP B 176 0 SHEET 2 F 3 TYR B 184 ASP B 192 -1 N SER B 187 O MET B 173 SHEET 3 F 3 GLN B 195 ILE B 204 -1 N ILE B 204 O TYR B 184 SHEET 1 G 2 ARG B 205 LEU B 207 0 SHEET 2 G 2 GLY B 211 TYR B 213 -1 N TYR B 213 O ARG B 205 SHEET 1 H 5 LEU B 325 VAL B 329 0 SHEET 2 H 5 ILE B 334 THR B 338 -1 N ILE B 337 O HIS B 326 SHEET 3 H 5 THR B 290 MET B 297 -1 N MET B 297 O ILE B 334 SHEET 4 H 5 GLY B 279 TYR B 286 -1 N TYR B 286 O THR B 290 SHEET 5 H 5 LEU B 267 LYS B 272 -1 N LYS B 271 O MET B 283 SHEET 1 I 2 ILE B 392 VAL B 394 0 SHEET 2 I 2 CYS B 400 ILE B 402 -1 N LYS B 401 O LEU B 393 SHEET 1 J 2 LEU A 267 LYS A 272 0 SHEET 2 J 2 TRP A 282 TYR A 286 -1 N THR A 285 O LYS A 268 LINK N PTR A 527 C GLN A 526 LINK C PTR A 527 N GLN A 528 LINK N PTR B 527 C GLN B 526 LINK C PTR B 527 N GLN B 528 CISPEP 1 GLU A 332 PRO A 333 0 -12.91 CISPEP 2 GLU B 332 PRO B 333 0 -3.53 CRYST1 73.500 93.300 176.900 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013605 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010718 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005653 0.00000 ATOM 1 N GLU A 82 80.593 45.593 107.670 1.00 78.18 MOL1 N ATOM 2 CA GLU A 82 80.123 45.029 106.409 1.00 78.38 MOL1 C ATOM 3 C GLU A 82 79.044 46.003 105.882 1.00 78.30 MOL1 C ATOM 4 O GLU A 82 79.093 47.136 106.370 1.00 79.33 MOL1 O ATOM 5 CB GLU A 82 79.504 43.650 106.650 1.00 77.78 MOL1 C ATOM 6 1H GLU A 82 80.350 46.608 107.585 1.00 0.00 MOL1 H ATOM 7 2H GLU A 82 80.068 45.258 108.509 1.00 0.00 MOL1 H ATOM 8 3H GLU A 82 81.607 45.500 107.852 1.00 0.00 MOL1 H ATOM 9 N ASP A 83 78.119 45.717 104.928 1.00 77.01 MOL1 N ATOM 10 CA ASP A 83 77.030 46.629 104.472 1.00 74.20 MOL1 C ATOM 11 C ASP A 83 75.683 45.891 104.729 1.00 71.73 MOL1 C ATOM 12 O ASP A 83 75.741 44.661 104.945 1.00 72.82 MOL1 O ATOM 13 CB ASP A 83 77.172 46.946 102.961 1.00 73.43 MOL1 C ATOM 14 H ASP A 83 78.048 44.800 104.580 1.00 0.00 MOL1 H ATOM 15 N ILE A 84 74.463 46.467 104.696 1.00 66.42 MOL1 N ATOM 16 CA ILE A 84 73.306 45.713 105.198 1.00 61.59 MOL1 C ATOM 17 C ILE A 84 72.627 44.820 104.158 1.00 58.60 MOL1 C ATOM 18 O ILE A 84 71.995 45.297 103.204 1.00 58.64 MOL1 O ATOM 19 CB ILE A 84 72.220 46.665 105.829 1.00 62.63 MOL1 C ATOM 20 CG1 ILE A 84 72.742 48.048 106.301 1.00 64.16 MOL1 C ATOM 21 CG2 ILE A 84 71.668 45.909 107.045 1.00 60.13 MOL1 C ATOM 22 CD1 ILE A 84 72.979 49.154 105.213 1.00 64.56 MOL1 C ATOM 23 H ILE A 84 74.334 47.318 104.235 1.00 0.00 MOL1 H ATOM 24 N ILE A 85 72.778 43.507 104.354 1.00 54.44 MOL1 N ATOM 25 CA ILE A 85 72.207 42.465 103.489 1.00 51.72 MOL1 C ATOM 26 C ILE A 85 70.983 41.742 104.079 1.00 51.01 MOL1 C ATOM 27 O ILE A 85 71.046 41.036 105.087 1.00 51.28 MOL1 O ATOM 28 CB ILE A 85 73.335 41.425 103.102 1.00 51.30 MOL1 C ATOM 29 CG1 ILE A 85 72.720 40.080 102.665 1.00 50.07 MOL1 C ATOM 30 CG2 ILE A 85 74.302 41.229 104.281 1.00 53.21 MOL1 C ATOM 31 CD1 ILE A 85 73.758 38.993 102.330 1.00 50.43 MOL1 C ATOM 32 H ILE A 85 73.272 43.237 105.155 1.00 0.00 MOL1 H ATOM 33 N VAL A 86 69.843 41.889 103.415 1.00 50.46 MOL1 N ATOM 34 CA VAL A 86 68.547 41.355 103.819 1.00 49.29 MOL1 C ATOM 35 C VAL A 86 68.179 40.150 102.969 1.00 49.82 MOL1 C ATOM 36 O VAL A 86 68.904 39.825 102.017 1.00 50.45 MOL1 O ATOM 37 CB VAL A 86 67.469 42.411 103.653 1.00 48.45 MOL1 C ATOM 38 CG1 VAL A 86 67.853 43.619 104.437 1.00 49.20 MOL1 C ATOM 39 CG2 VAL A 86 67.344 42.838 102.229 1.00 48.82 MOL1 C ATOM 40 H VAL A 86 69.914 42.282 102.519 1.00 0.00 MOL1 H ATOM 41 N VAL A 87 67.037 39.514 103.228 1.00 49.86 MOL1 N ATOM 42 CA VAL A 87 66.687 38.319 102.471 1.00 51.44 MOL1 C ATOM 43 C VAL A 87 65.224 38.129 102.059 1.00 53.57 MOL1 C ATOM 44 O VAL A 87 64.259 38.374 102.794 1.00 55.52 MOL1 O ATOM 45 CB VAL A 87 67.177 37.103 103.282 1.00 48.43 MOL1 C ATOM 46 CG1 VAL A 87 66.468 37.076 104.594 1.00 48.27 MOL1 C ATOM 47 CG2 VAL A 87 66.883 35.809 102.577 1.00 48.48 MOL1 C ATOM 48 H VAL A 87 66.489 39.781 103.993 1.00 0.00 MOL1 H ATOM 49 N ALA A 88 65.051 37.647 100.840 1.00 53.68 MOL1 N ATOM 50 CA ALA A 88 63.728 37.369 100.343 1.00 53.33 MOL1 C ATOM 51 C ALA A 88 63.171 36.135 101.045 1.00 53.14 MOL1 C ATOM 52 O ALA A 88 63.759 35.053 100.988 1.00 51.39 MOL1 O ATOM 53 CB ALA A 88 63.829 37.122 98.853 1.00 53.38 MOL1 C ATOM 54 H ALA A 88 65.832 37.401 100.295 1.00 0.00 MOL1 H ATOM 55 N LEU A 89 62.117 36.360 101.816 1.00 54.58 MOL1 N ATOM 56 CA LEU A 89 61.303 35.322 102.459 1.00 56.71 MOL1 C ATOM 57 C LEU A 89 60.321 34.519 101.615 1.00 59.12 MOL1 C ATOM 58 O LEU A 89 59.989 33.356 101.879 1.00 59.44 MOL1 O ATOM 59 CB LEU A 89 60.438 35.878 103.571 1.00 53.41 MOL1 C ATOM 60 CG LEU A 89 61.073 36.024 104.885 1.00 51.38 MOL1 C ATOM 61 CD1 LEU A 89 61.696 34.659 105.223 1.00 50.92 MOL1 C ATOM 62 CD2 LEU A 89 62.020 37.214 104.873 1.00 49.99 MOL1 C ATOM 63 H LEU A 89 61.992 37.290 102.073 1.00 0.00 MOL1 H ATOM 64 N TYR A 90 59.753 35.204 100.634 1.00 61.52 MOL1 N ATOM 65 CA TYR A 90 58.759 34.632 99.748 1.00 63.11 MOL1 C ATOM 66 C TYR A 90 59.154 35.189 98.395 1.00 62.43 MOL1 C ATOM 67 O TYR A 90 59.923 36.154 98.336 1.00 62.73 MOL1 O ATOM 68 CB TYR A 90 57.338 35.126 100.003 1.00 66.78 MOL1 C ATOM 69 CG TYR A 90 56.871 35.217 101.443 1.00 70.04 MOL1 C ATOM 70 CD1 TYR A 90 56.256 34.105 102.022 1.00 71.50 MOL1 C ATOM 71 CD2 TYR A 90 57.053 36.411 102.175 1.00 70.87 MOL1 C ATOM 72 CE1 TYR A 90 55.814 34.199 103.349 1.00 73.42 MOL1 C ATOM 73 CE2 TYR A 90 56.617 36.497 103.501 1.00 70.60 MOL1 C ATOM 74 CZ TYR A 90 55.995 35.388 104.083 1.00 71.81 MOL1 C ATOM 75 OH TYR A 90 55.555 35.438 105.396 1.00 69.74 MOL1 O ATOM 76 H TYR A 90 60.099 36.093 100.403 1.00 0.00 MOL1 H ATOM 77 HH TYR A 90 55.605 36.345 105.717 1.00 0.00 MOL1 H ATOM 78 N ASP A 91 58.605 34.625 97.324 1.00 60.53 MOL1 N ATOM 79 CA ASP A 91 58.864 35.126 95.995 1.00 58.90 MOL1 C ATOM 80 C ASP A 91 58.098 36.438 95.783 1.00 59.01 MOL1 C ATOM 81 O ASP A 91 56.980 36.609 96.286 1.00 58.61 MOL1 O ATOM 82 CB ASP A 91 58.411 34.081 94.966 1.00 59.63 MOL1 C ATOM 83 CG ASP A 91 59.049 32.683 94.996 1.00 59.60 MOL1 C ATOM 84 OD1 ASP A 91 60.116 32.543 95.560 1.00 60.10 MOL1 O ATOM 85 OD2 ASP A 91 58.505 31.722 94.442 1.00 58.35 MOL1 O ATOM 86 H ASP A 91 57.896 33.970 97.453 1.00 0.00 MOL1 H ATOM 87 N TYR A 92 58.671 37.413 95.081 1.00 59.45 MOL1 N ATOM 88 CA TYR A 92 57.965 38.611 94.697 1.00 59.26 MOL1 C ATOM 89 C TYR A 92 58.090 38.660 93.176 1.00 62.67 MOL1 C ATOM 90 O TYR A 92 59.171 38.406 92.639 1.00 65.08 MOL1 O ATOM 91 CB TYR A 92 58.582 39.857 95.242 1.00 55.05 MOL1 C ATOM 92 CG TYR A 92 57.714 41.044 94.930 1.00 54.33 MOL1 C ATOM 93 CD1 TYR A 92 56.372 40.982 95.290 1.00 55.75 MOL1 C ATOM 94 CD2 TYR A 92 58.191 42.150 94.241 1.00 53.46 MOL1 C ATOM 95 CE1 TYR A 92 55.481 42.007 94.957 1.00 56.03 MOL1 C ATOM 96 CE2 TYR A 92 57.308 43.191 93.910 1.00 55.10 MOL1 C ATOM 97 CZ TYR A 92 55.941 43.116 94.264 1.00 56.32 MOL1 C ATOM 98 OH TYR A 92 54.985 44.086 93.951 1.00 56.09 MOL1 O ATOM 99 H TYR A 92 59.575 37.287 94.729 1.00 0.00 MOL1 H ATOM 100 HH TYR A 92 54.151 43.815 94.351 1.00 0.00 MOL1 H ATOM 101 N GLU A 93 56.988 39.011 92.486 1.00 64.92 MOL1 N ATOM 102 CA GLU A 93 56.835 39.085 91.027 1.00 64.23 MOL1 C ATOM 103 C GLU A 93 56.824 40.585 90.817 1.00 63.15 MOL1 C ATOM 104 O GLU A 93 55.891 41.242 91.287 1.00 62.47 MOL1 O ATOM 105 CB GLU A 93 55.469 38.537 90.516 1.00 66.86 MOL1 C ATOM 106 CG GLU A 93 54.479 37.726 91.447 1.00 72.08 MOL1 C ATOM 107 CD GLU A 93 53.734 38.381 92.643 1.00 73.74 MOL1 C ATOM 108 OE1 GLU A 93 53.184 39.477 92.490 1.00 75.89 MOL1 O ATOM 109 OE2 GLU A 93 53.685 37.780 93.727 1.00 72.05 MOL1 O ATOM 110 H GLU A 93 56.256 39.396 93.007 1.00 0.00 MOL1 H ATOM 111 N ALA A 94 57.842 41.182 90.223 1.00 63.30 MOL1 N ATOM 112 CA ALA A 94 57.844 42.624 90.005 1.00 64.65 MOL1 C ATOM 113 C ALA A 94 56.635 43.007 89.165 1.00 65.49 MOL1 C ATOM 114 O ALA A 94 56.367 42.296 88.199 1.00 67.12 MOL1 O ATOM 115 CB ALA A 94 59.074 43.049 89.249 1.00 64.80 MOL1 C ATOM 116 H ALA A 94 58.556 40.627 89.854 1.00 0.00 MOL1 H ATOM 117 N ILE A 95 55.841 44.034 89.492 1.00 66.12 MOL1 N ATOM 118 CA ILE A 95 54.650 44.423 88.717 1.00 66.59 MOL1 C ATOM 119 C ILE A 95 54.405 45.947 88.620 1.00 68.03 MOL1 C ATOM 120 O ILE A 95 53.291 46.426 88.339 1.00 68.46 MOL1 O ATOM 121 CB ILE A 95 53.349 43.782 89.309 1.00 65.38 MOL1 C ATOM 122 CG1 ILE A 95 53.210 44.161 90.779 1.00 65.28 MOL1 C ATOM 123 CG2 ILE A 95 53.359 42.274 89.103 1.00 64.83 MOL1 C ATOM 124 CD1 ILE A 95 51.760 44.429 91.199 1.00 65.66 MOL1 C ATOM 125 H ILE A 95 56.030 44.488 90.329 1.00 0.00 MOL1 H ATOM 126 N HIS A 96 55.419 46.772 88.907 1.00 68.87 MOL1 N ATOM 127 CA HIS A 96 55.361 48.239 88.868 1.00 69.66 MOL1 C ATOM 128 C HIS A 96 56.634 48.620 88.174 1.00 70.16 MOL1 C ATOM 129 O HIS A 96 57.508 47.755 88.052 1.00 70.88 MOL1 O ATOM 130 CB HIS A 96 55.400 48.910 90.239 1.00 71.16 MOL1 C ATOM 131 CG HIS A 96 54.139 48.569 91.001 1.00 73.19 MOL1 C ATOM 132 ND1 HIS A 96 54.023 47.912 92.149 1.00 73.50 MOL1 N ATOM 133 CD2 HIS A 96 52.873 48.816 90.516 1.00 73.93 MOL1 C ATOM 134 CE1 HIS A 96 52.744 47.737 92.370 1.00 75.36 MOL1 C ATOM 135 NE2 HIS A 96 52.066 48.282 91.382 1.00 75.66 MOL1 N ATOM 136 H HIS A 96 56.314 46.371 88.941 1.00 0.00 MOL1 H ATOM 137 HD1 HIS A 96 54.740 47.648 92.774 1.00 0.00 MOL1 H ATOM 138 HE2 HIS A 96 51.109 48.115 91.213 1.00 0.00 MOL1 H ATOM 139 N HIS A 97 56.829 49.893 87.817 1.00 70.59 MOL1 N ATOM 140 CA HIS A 97 58.010 50.251 87.021 1.00 69.99 MOL1 C ATOM 141 C HIS A 97 59.404 49.761 87.417 1.00 67.92 MOL1 C ATOM 142 O HIS A 97 60.016 48.994 86.671 1.00 65.57 MOL1 O ATOM 143 CB HIS A 97 58.049 51.775 86.868 1.00 71.24 MOL1 C ATOM 144 CG HIS A 97 57.237 52.200 85.663 1.00 72.11 MOL1 C ATOM 145 ND1 HIS A 97 56.771 53.413 85.393 1.00 73.43 MOL1 N ATOM 146 CD2 HIS A 97 56.855 51.350 84.644 1.00 72.26 MOL1 C ATOM 147 CE1 HIS A 97 56.122 53.338 84.257 1.00 73.67 MOL1 C ATOM 148 NE2 HIS A 97 56.181 52.093 83.822 1.00 73.98 MOL1 N ATOM 149 H HIS A 97 56.190 50.573 88.104 1.00 0.00 MOL1 H ATOM 150 HD1 HIS A 97 56.871 54.236 85.924 1.00 0.00 MOL1 H ATOM 151 HE2 HIS A 97 55.782 51.779 82.979 1.00 0.00 MOL1 H ATOM 152 N GLU A 98 59.818 50.160 88.630 1.00 66.37 MOL1 N ATOM 153 CA GLU A 98 61.145 49.860 89.159 1.00 64.20 MOL1 C ATOM 154 C GLU A 98 61.254 48.711 90.182 1.00 61.35 MOL1 C ATOM 155 O GLU A 98 62.367 48.427 90.638 1.00 61.96 MOL1 O ATOM 156 CB GLU A 98 61.717 51.148 89.795 1.00 64.91 MOL1 C ATOM 157 CG GLU A 98 62.106 52.291 88.860 1.00 64.97 MOL1 C ATOM 158 CD GLU A 98 61.399 53.596 89.169 1.00 65.41 MOL1 C ATOM 159 OE1 GLU A 98 61.889 54.379 89.997 1.00 65.49 MOL1 O ATOM 160 OE2 GLU A 98 60.347 53.803 88.567 1.00 66.07 MOL1 O ATOM 161 H GLU A 98 59.186 50.580 89.241 1.00 0.00 MOL1 H ATOM 162 N ASP A 99 60.184 48.012 90.601 1.00 57.35 MOL1 N ATOM 163 CA ASP A 99 60.309 47.037 91.692 1.00 51.99 MOL1 C ATOM 164 C ASP A 99 60.996 45.771 91.212 1.00 48.81 MOL1 C ATOM 165 O ASP A 99 60.970 45.480 90.021 1.00 49.97 MOL1 O ATOM 166 CB ASP A 99 58.914 46.726 92.281 1.00 48.38 MOL1 C ATOM 167 CG ASP A 99 57.890 46.026 91.402 1.00 45.00 MOL1 C ATOM 168 OD1 ASP A 99 58.041 45.940 90.188 1.00 42.82 MOL1 O ATOM 169 OD2 ASP A 99 56.905 45.568 91.960 1.00 42.77 MOL1 O ATOM 170 H ASP A 99 59.405 47.973 90.014 1.00 0.00 MOL1 H ATOM 171 N LEU A 100 61.568 44.978 92.081 1.00 45.57 MOL1 N ATOM 172 CA LEU A 100 62.376 43.883 91.632 1.00 43.48 MOL1 C ATOM 173 C LEU A 100 61.752 42.561 91.788 1.00 43.00 MOL1 C ATOM 174 O LEU A 100 60.903 42.339 92.635 1.00 42.73 MOL1 O ATOM 175 CB LEU A 100 63.633 43.890 92.395 1.00 41.62 MOL1 C ATOM 176 CG LEU A 100 64.857 44.230 91.672 1.00 38.74 MOL1 C ATOM 177 CD1 LEU A 100 65.740 44.931 92.656 1.00 35.78 MOL1 C ATOM 178 CD2 LEU A 100 65.395 42.978 90.975 1.00 39.00 MOL1 C ATOM 179 H LEU A 100 61.391 45.086 93.040 1.00 0.00 MOL1 H ATOM 180 N SER A 101 62.186 41.684 90.940 1.00 44.41 MOL1 N ATOM 181 CA SER A 101 61.760 40.346 91.179 1.00 48.52 MOL1 C ATOM 182 C SER A 101 62.870 39.631 91.900 1.00 50.19 MOL1 C ATOM 183 O SER A 101 64.060 39.897 91.687 1.00 50.16 MOL1 O ATOM 184 CB SER A 101 61.465 39.619 89.899 1.00 49.77 MOL1 C ATOM 185 OG SER A 101 60.297 40.178 89.333 1.00 50.63 MOL1 O ATOM 186 H SER A 101 62.857 41.877 90.260 1.00 0.00 MOL1 H ATOM 187 HG SER A 101 60.564 40.971 88.857 1.00 0.00 MOL1 H ATOM 188 N PHE A 102 62.383 38.739 92.753 1.00 53.46 MOL1 N ATOM 189 CA PHE A 102 63.180 37.842 93.543 1.00 56.80 MOL1 C ATOM 190 C PHE A 102 62.411 36.601 93.970 1.00 60.45 MOL1 C ATOM 191 O PHE A 102 61.198 36.601 94.171 1.00 58.56 MOL1 O ATOM 192 CB PHE A 102 63.704 38.543 94.784 1.00 54.58 MOL1 C ATOM 193 CG PHE A 102 62.716 39.376 95.560 1.00 50.89 MOL1 C ATOM 194 CD1 PHE A 102 61.928 38.788 96.526 1.00 49.23 MOL1 C ATOM 195 CD2 PHE A 102 62.678 40.751 95.352 1.00 50.65 MOL1 C ATOM 196 CE1 PHE A 102 61.079 39.590 97.278 1.00 50.63 MOL1 C ATOM 197 CE2 PHE A 102 61.827 41.537 96.109 1.00 49.65 MOL1 C ATOM 198 CZ PHE A 102 61.036 40.964 97.086 1.00 49.94 MOL1 C ATOM 199 H PHE A 102 61.407 38.660 92.855 1.00 0.00 MOL1 H ATOM 200 N GLN A 103 63.166 35.505 93.945 1.00 65.92 MOL1 N ATOM 201 CA GLN A 103 62.763 34.183 94.409 1.00 71.54 MOL1 C ATOM 202 C GLN A 103 63.003 34.161 95.942 1.00 73.72 MOL1 C ATOM 203 O GLN A 103 63.539 35.132 96.491 1.00 74.58 MOL1 O ATOM 204 CB GLN A 103 63.644 33.125 93.685 1.00 74.07 MOL1 C ATOM 205 CG GLN A 103 63.069 32.032 92.773 1.00 78.54 MOL1 C ATOM 206 CD GLN A 103 62.044 31.083 93.408 1.00 82.44 MOL1 C ATOM 207 OE1 GLN A 103 62.161 30.593 94.535 1.00 84.50 MOL1 O ATOM 208 NE2 GLN A 103 60.940 30.790 92.734 1.00 84.03 MOL1 N ATOM 209 H GLN A 103 64.072 35.600 93.608 1.00 0.00 MOL1 H ATOM 210 1HE2 GLN A 103 60.331 30.151 93.159 1.00 0.00 MOL1 H ATOM 211 2HE2 GLN A 103 60.793 31.194 91.855 1.00 0.00 MOL1 H ATOM 212 N LYS A 104 62.655 33.093 96.680 1.00 75.86 MOL1 N ATOM 213 CA LYS A 104 62.946 32.961 98.111 1.00 77.24 MOL1 C ATOM 214 C LYS A 104 64.427 32.561 98.168 1.00 76.16 MOL1 C ATOM 215 O LYS A 104 64.912 31.851 97.276 1.00 76.05 MOL1 O ATOM 216 CB LYS A 104 62.084 31.843 98.774 1.00 81.72 MOL1 C ATOM 217 CG LYS A 104 60.551 31.923 98.539 1.00 86.65 MOL1 C ATOM 218 CD LYS A 104 59.576 30.906 99.198 1.00 90.04 MOL1 C ATOM 219 CE LYS A 104 58.167 30.814 98.503 1.00 91.14 MOL1 C ATOM 220 NZ LYS A 104 57.341 32.024 98.459 1.00 89.53 MOL1 N ATOM 221 H LYS A 104 62.313 32.302 96.211 1.00 0.00 MOL1 H ATOM 222 1HZ LYS A 104 57.868 32.764 97.955 1.00 0.00 MOL1 H ATOM 223 2HZ LYS A 104 56.459 31.832 97.942 1.00 0.00 MOL1 H ATOM 224 3HZ LYS A 104 57.113 32.351 99.419 1.00 0.00 MOL1 H ATOM 225 N GLY A 105 65.234 33.012 99.129 1.00 74.97 MOL1 N ATOM 226 CA GLY A 105 66.654 32.625 99.169 1.00 73.52 MOL1 C ATOM 227 C GLY A 105 67.602 33.627 98.507 1.00 71.31 MOL1 C ATOM 228 O GLY A 105 68.835 33.604 98.656 1.00 71.90 MOL1 O ATOM 229 H GLY A 105 64.882 33.643 99.799 1.00 0.00 MOL1 H ATOM 230 N ASP A 106 66.997 34.513 97.731 1.00 68.47 MOL1 N ATOM 231 CA ASP A 106 67.697 35.612 97.116 1.00 66.01 MOL1 C ATOM 232 C ASP A 106 68.156 36.555 98.226 1.00 64.28 MOL1 C ATOM 233 O ASP A 106 67.381 36.824 99.157 1.00 64.14 MOL1 O ATOM 234 CB ASP A 106 66.729 36.310 96.145 1.00 65.48 MOL1 C ATOM 235 CG ASP A 106 66.367 35.543 94.871 1.00 64.88 MOL1 C ATOM 236 OD1 ASP A 106 66.436 34.310 94.875 1.00 64.89 MOL1 O ATOM 237 OD2 ASP A 106 66.029 36.185 93.868 1.00 62.94 MOL1 O ATOM 238 H ASP A 106 66.037 34.418 97.573 1.00 0.00 MOL1 H ATOM 239 N GLN A 107 69.409 37.009 98.217 1.00 61.35 MOL1 N ATOM 240 CA GLN A 107 69.817 37.997 99.204 1.00 59.08 MOL1 C ATOM 241 C GLN A 107 69.836 39.328 98.493 1.00 54.58 MOL1 C ATOM 242 O GLN A 107 69.910 39.345 97.263 1.00 54.95 MOL1 O ATOM 243 CB GLN A 107 71.194 37.688 99.754 1.00 64.50 MOL1 C ATOM 244 CG GLN A 107 71.212 36.634 100.883 1.00 68.95 MOL1 C ATOM 245 CD GLN A 107 72.424 35.701 100.789 1.00 71.61 MOL1 C ATOM 246 OE1 GLN A 107 73.557 36.047 101.145 1.00 71.37 MOL1 O ATOM 247 NE2 GLN A 107 72.211 34.496 100.241 1.00 72.66 MOL1 N ATOM 248 H GLN A 107 70.024 36.749 97.508 1.00 0.00 MOL1 H ATOM 249 1HE2 GLN A 107 72.978 33.893 100.173 1.00 0.00 MOL1 H ATOM 250 2HE2 GLN A 107 71.301 34.274 99.940 1.00 0.00 MOL1 H ATOM 251 N MET A 108 69.805 40.451 99.177 1.00 48.71 MOL1 N ATOM 252 CA MET A 108 69.620 41.737 98.536 1.00 44.86 MOL1 C ATOM 253 C MET A 108 70.363 42.730 99.356 1.00 43.16 MOL1 C ATOM 254 O MET A 108 70.596 42.423 100.507 1.00 44.75 MOL1 O ATOM 255 CB MET A 108 68.172 42.164 98.549 1.00 44.09 MOL1 C ATOM 256 CG MET A 108 67.520 42.080 97.205 1.00 44.61 MOL1 C ATOM 257 SD MET A 108 65.866 41.351 97.154 1.00 46.05 MOL1 S ATOM 258 CE MET A 108 66.349 39.669 96.956 1.00 44.24 MOL1 C ATOM 259 H MET A 108 69.890 40.430 100.160 1.00 0.00 MOL1 H ATOM 260 N VAL A 109 70.741 43.909 98.910 1.00 41.74 MOL1 N ATOM 261 CA VAL A 109 71.383 44.883 99.791 1.00 41.83 MOL1 C ATOM 262 C VAL A 109 70.454 46.057 99.828 1.00 40.84 MOL1 C ATOM 263 O VAL A 109 69.919 46.424 98.783 1.00 40.54 MOL1 O ATOM 264 CB VAL A 109 72.717 45.415 99.257 1.00 44.61 MOL1 C ATOM 265 CG1 VAL A 109 73.299 46.514 100.194 1.00 44.50 MOL1 C ATOM 266 CG2 VAL A 109 73.644 44.215 99.051 1.00 47.27 MOL1 C ATOM 267 H VAL A 109 70.589 44.127 97.970 1.00 0.00 MOL1 H ATOM 268 N VAL A 110 70.305 46.697 100.963 1.00 40.78 MOL1 N ATOM 269 CA VAL A 110 69.361 47.797 101.036 1.00 41.09 MOL1 C ATOM 270 C VAL A 110 70.011 49.184 100.911 1.00 42.64 MOL1 C ATOM 271 O VAL A 110 71.091 49.461 101.420 1.00 44.49 MOL1 O ATOM 272 CB VAL A 110 68.484 47.523 102.372 1.00 38.43 MOL1 C ATOM 273 CG1 VAL A 110 69.163 46.634 103.401 1.00 33.18 MOL1 C ATOM 274 CG2 VAL A 110 68.142 48.859 102.987 1.00 37.86 MOL1 C ATOM 275 H VAL A 110 70.916 46.495 101.703 1.00 0.00 MOL1 H ATOM 276 N LEU A 111 69.384 50.097 100.211 1.00 44.18 MOL1 N ATOM 277 CA LEU A 111 69.997 51.372 99.968 1.00 48.72 MOL1 C ATOM 278 C LEU A 111 69.111 52.531 100.386 1.00 52.22 MOL1 C ATOM 279 O LEU A 111 69.556 53.672 100.537 1.00 51.88 MOL1 O ATOM 280 CB LEU A 111 70.335 51.521 98.476 1.00 49.95 MOL1 C ATOM 281 CG LEU A 111 71.388 50.746 97.662 1.00 49.71 MOL1 C ATOM 282 CD1 LEU A 111 70.802 49.510 97.000 1.00 48.65 MOL1 C ATOM 283 CD2 LEU A 111 71.879 51.658 96.529 1.00 49.60 MOL1 C ATOM 284 H LEU A 111 68.524 49.882 99.817 1.00 0.00 MOL1 H ATOM 285 N GLU A 112 67.821 52.312 100.568 1.00 56.83 MOL1 N ATOM 286 CA GLU A 112 66.946 53.381 101.003 1.00 62.15 MOL1 C ATOM 287 C GLU A 112 65.888 52.632 101.779 1.00 63.64 MOL1 C ATOM 288 O GLU A 112 65.384 51.619 101.288 1.00 63.79 MOL1 O ATOM 289 CB GLU A 112 66.316 54.132 99.799 1.00 65.33 MOL1 C ATOM 290 CG GLU A 112 66.896 55.543 99.491 1.00 70.50 MOL1 C ATOM 291 CD GLU A 112 66.508 56.154 98.129 1.00 72.82 MOL1 C ATOM 292 OE1 GLU A 112 65.355 56.594 97.954 1.00 72.40 MOL1 O ATOM 293 OE2 GLU A 112 67.384 56.183 97.249 1.00 72.65 MOL1 O ATOM 294 H GLU A 112 67.453 51.409 100.503 1.00 0.00 MOL1 H ATOM 295 N GLU A 113 65.675 53.034 103.030 1.00 64.90 MOL1 N ATOM 296 CA GLU A 113 64.601 52.521 103.842 1.00 66.57 MOL1 C ATOM 297 C GLU A 113 63.521 53.600 103.849 1.00 67.92 MOL1 C ATOM 298 O GLU A 113 63.340 54.340 104.810 1.00 69.70 MOL1 O ATOM 299 CB GLU A 113 65.170 52.232 105.213 1.00 67.36 MOL1 C ATOM 300 CG GLU A 113 66.039 51.042 104.937 1.00 72.23 MOL1 C ATOM 301 CD GLU A 113 66.866 50.485 106.077 1.00 75.79 MOL1 C ATOM 302 OE1 GLU A 113 66.369 49.629 106.812 1.00 76.08 MOL1 O ATOM 303 OE2 GLU A 113 68.031 50.875 106.196 1.00 78.85 MOL1 O ATOM 304 H GLU A 113 66.278 53.694 103.427 1.00 0.00 MOL1 H ATOM 305 N SER A 114 62.780 53.791 102.771 1.00 68.68 MOL1 N ATOM 306 CA SER A 114 61.781 54.842 102.687 1.00 68.73 MOL1 C ATOM 307 C SER A 114 60.402 54.211 102.826 1.00 69.96 MOL1 C ATOM 308 O SER A 114 59.543 54.237 101.930 1.00 70.74 MOL1 O ATOM 309 CB SER A 114 61.949 55.537 101.348 1.00 68.52 MOL1 C ATOM 310 OG SER A 114 62.142 54.582 100.302 1.00 67.93 MOL1 O ATOM 311 H SER A 114 62.876 53.216 101.983 1.00 0.00 MOL1 H ATOM 312 HG SER A 114 61.344 54.035 100.213 1.00 0.00 MOL1 H ATOM 313 N GLY A 116 60.192 53.530 103.948 1.00 69.79 MOL1 N ATOM 314 CA GLY A 116 58.876 52.971 104.205 1.00 68.72 MOL1 C ATOM 315 C GLY A 116 58.643 51.587 103.621 1.00 67.81 MOL1 C ATOM 316 O GLY A 116 59.524 50.721 103.665 1.00 68.67 MOL1 O ATOM 317 H GLY A 116 60.931 53.391 104.576 1.00 0.00 MOL1 H ATOM 318 N GLU A 117 57.469 51.377 103.031 1.00 65.45 MOL1 N ATOM 319 CA GLU A 117 57.075 50.036 102.628 1.00 62.95 MOL1 C ATOM 320 C GLU A 117 57.919 49.461 101.504 1.00 60.50 MOL1 C ATOM 321 O GLU A 117 57.973 48.250 101.288 1.00 59.57 MOL1 O ATOM 322 CB GLU A 117 55.601 50.060 102.230 1.00 65.45 MOL1 C ATOM 323 CG GLU A 117 54.739 50.946 103.169 1.00 68.72 MOL1 C ATOM 324 CD GLU A 117 53.235 50.678 103.234 1.00 70.67 MOL1 C ATOM 325 OE1 GLU A 117 52.801 49.601 102.781 1.00 71.83 MOL1 O ATOM 326 OE2 GLU A 117 52.521 51.546 103.772 1.00 69.26 MOL1 O ATOM 327 H GLU A 117 56.891 52.147 102.847 1.00 0.00 MOL1 H ATOM 328 N TRP A 118 58.628 50.327 100.796 1.00 58.47 MOL1 N ATOM 329 CA TRP A 118 59.465 49.906 99.699 1.00 56.68 MOL1 C ATOM 330 C TRP A 118 60.855 50.414 99.968 1.00 55.82 MOL1 C ATOM 331 O TRP A 118 61.037 51.632 100.162 1.00 54.17 MOL1 O ATOM 332 CB TRP A 118 59.045 50.516 98.396 1.00 57.23 MOL1 C ATOM 333 CG TRP A 118 57.694 50.126 97.838 1.00 56.64 MOL1 C ATOM 334 CD1 TRP A 118 56.542 50.798 98.162 1.00 57.12 MOL1 C ATOM 335 CD2 TRP A 118 57.491 49.103 96.973 1.00 56.45 MOL1 C ATOM 336 NE1 TRP A 118 55.588 50.187 97.503 1.00 56.11 MOL1 N ATOM 337 CE2 TRP A 118 56.106 49.180 96.778 1.00 56.47 MOL1 C ATOM 338 CE3 TRP A 118 58.275 48.147 96.337 1.00 57.24 MOL1 C ATOM 339 CZ2 TRP A 118 55.477 48.273 95.937 1.00 56.70 MOL1 C ATOM 340 CZ3 TRP A 118 57.638 47.244 95.493 1.00 58.40 MOL1 C ATOM 341 CH2 TRP A 118 56.256 47.308 95.293 1.00 58.18 MOL1 C ATOM 342 H TRP A 118 58.663 51.273 101.034 1.00 0.00 MOL1 H ATOM 343 HE1 TRP A 118 54.629 50.415 97.572 1.00 0.00 MOL1 H ATOM 344 N TRP A 119 61.807 49.478 99.956 1.00 55.54 MOL1 N ATOM 345 CA TRP A 119 63.221 49.779 100.170 1.00 56.00 MOL1 C ATOM 346 C TRP A 119 64.047 49.661 98.902 1.00 54.56 MOL1 C ATOM 347 O TRP A 119 63.749 48.761 98.108 1.00 54.60 MOL1 O ATOM 348 CB TRP A 119 63.797 48.836 101.212 1.00 59.31 MOL1 C ATOM 349 CG TRP A 119 63.350 49.090 102.653 1.00 63.11 MOL1 C ATOM 350 CD1 TRP A 119 62.493 50.104 103.008 1.00 63.69 MOL1 C ATOM 351 CD2 TRP A 119 63.743 48.354 103.730 1.00 64.51 MOL1 C ATOM 352 NE1 TRP A 119 62.337 50.013 104.298 1.00 64.72 MOL1 N ATOM 353 CE2 TRP A 119 63.066 48.992 104.774 1.00 65.39 MOL1 C ATOM 354 CE3 TRP A 119 64.562 47.256 103.964 1.00 65.99 MOL1 C ATOM 355 CZ2 TRP A 119 63.204 48.535 106.082 1.00 67.34 MOL1 C ATOM 356 CZ3 TRP A 119 64.704 46.793 105.273 1.00 68.07 MOL1 C ATOM 357 CH2 TRP A 119 64.032 47.427 106.326 1.00 68.65 MOL1 C ATOM 358 H TRP A 119 61.533 48.551 99.784 1.00 0.00 MOL1 H ATOM 359 HE1 TRP A 119 61.612 50.457 104.786 1.00 0.00 MOL1 H ATOM 360 N LYS A 120 65.068 50.476 98.608 1.00 53.04 MOL1 N ATOM 361 CA LYS A 120 65.779 50.291 97.332 1.00 52.11 MOL1 C ATOM 362 C LYS A 120 66.858 49.218 97.482 1.00 48.85 MOL1 C ATOM 363 O LYS A 120 67.824 49.405 98.220 1.00 48.29 MOL1 O ATOM 364 CB LYS A 120 66.414 51.638 96.828 1.00 54.29 MOL1 C ATOM 365 CG LYS A 120 66.893 51.659 95.348 1.00 54.10 MOL1 C ATOM 366 CD LYS A 120 66.954 53.048 94.715 1.00 54.63 MOL1 C ATOM 367 CE LYS A 120 67.166 52.919 93.207 1.00 56.46 MOL1 C ATOM 368 NZ LYS A 120 66.869 54.162 92.499 1.00 56.45 MOL1 N ATOM 369 H LYS A 120 65.317 51.169 99.245 1.00 0.00 MOL1 H ATOM 370 1HZ LYS A 120 67.395 54.943 92.942 1.00 0.00 MOL1 H ATOM 371 2HZ LYS A 120 67.161 54.066 91.504 1.00 0.00 MOL1 H ATOM 372 3HZ LYS A 120 65.848 54.355 92.548 1.00 0.00 MOL1 H ATOM 373 N ALA A 121 66.692 48.077 96.831 1.00 44.78 MOL1 N ATOM 374 CA ALA A 121 67.596 46.977 97.028 1.00 41.93 MOL1 C ATOM 375 C ALA A 121 68.277 46.581 95.748 1.00 39.68 MOL1 C ATOM 376 O ALA A 121 67.861 46.948 94.654 1.00 40.10 MOL1 O ATOM 377 CB ALA A 121 66.866 45.748 97.570 1.00 42.52 MOL1 C ATOM 378 H ALA A 121 66.045 48.044 96.098 1.00 0.00 MOL1 H ATOM 379 N ARG A 122 69.348 45.827 95.879 1.00 36.58 MOL1 N ATOM 380 CA ARG A 122 70.099 45.375 94.748 1.00 34.22 MOL1 C ATOM 381 C ARG A 122 70.078 43.916 94.953 1.00 31.57 MOL1 C ATOM 382 O ARG A 122 70.558 43.483 95.997 1.00 31.37 MOL1 O ATOM 383 CB ARG A 122 71.551 45.819 94.791 1.00 38.94 MOL1 C ATOM 384 CG ARG A 122 72.466 45.477 93.571 1.00 44.57 MOL1 C ATOM 385 CD ARG A 122 73.962 45.648 93.839 1.00 49.19 MOL1 C ATOM 386 NE ARG A 122 74.343 46.944 94.431 1.00 53.99 MOL1 N ATOM 387 CZ ARG A 122 75.312 47.067 95.383 1.00 55.36 MOL1 C ATOM 388 NH1 ARG A 122 75.999 45.998 95.869 1.00 55.61 MOL1 N ATOM 389 NH2 ARG A 122 75.607 48.294 95.854 1.00 54.68 MOL1 N ATOM 390 H ARG A 122 69.652 45.623 96.786 1.00 0.00 MOL1 H ATOM 391 HE ARG A 122 73.866 47.752 94.143 1.00 0.00 MOL1 H ATOM 392 1HH1 ARG A 122 75.774 45.070 95.576 1.00 0.00 MOL1 H ATOM 393 2HH1 ARG A 122 76.683 46.141 96.586 1.00 0.00 MOL1 H ATOM 394 1HH2 ARG A 122 75.125 49.095 95.502 1.00 0.00 MOL1 H ATOM 395 2HH2 ARG A 122 76.322 48.406 96.543 1.00 0.00 MOL1 H ATOM 396 N SER A 123 69.542 43.145 94.044 1.00 30.07 MOL1 N ATOM 397 CA SER A 123 69.602 41.740 94.245 1.00 31.88 MOL1 C ATOM 398 C SER A 123 71.036 41.384 94.099 1.00 34.67 MOL1 C ATOM 399 O SER A 123 71.681 41.675 93.115 1.00 38.43 MOL1 O ATOM 400 CB SER A 123 68.845 40.970 93.213 1.00 31.82 MOL1 C ATOM 401 OG SER A 123 69.078 39.554 93.202 1.00 29.89 MOL1 O ATOM 402 H SER A 123 69.265 43.534 93.185 1.00 0.00 MOL1 H ATOM 403 HG SER A 123 68.297 39.155 92.791 1.00 0.00 MOL1 H ATOM 404 N LEU A 124 71.515 40.741 95.120 1.00 37.96 MOL1 N ATOM 405 CA LEU A 124 72.815 40.088 95.141 1.00 40.23 MOL1 C ATOM 406 C LEU A 124 72.776 39.064 94.008 1.00 40.94 MOL1 C ATOM 407 O LEU A 124 73.807 38.814 93.384 1.00 42.98 MOL1 O ATOM 408 CB LEU A 124 72.980 39.371 96.497 1.00 42.03 MOL1 C ATOM 409 CG LEU A 124 74.265 39.195 97.277 1.00 43.26 MOL1 C ATOM 410 CD1 LEU A 124 75.063 37.961 96.758 1.00 44.49 MOL1 C ATOM 411 CD2 LEU A 124 74.922 40.602 97.306 1.00 42.46 MOL1 C ATOM 412 H LEU A 124 70.968 40.708 95.931 1.00 0.00 MOL1 H ATOM 413 N ALA A 125 71.577 38.503 93.756 1.00 41.15 MOL1 N ATOM 414 CA ALA A 125 71.311 37.457 92.762 1.00 42.12 MOL1 C ATOM 415 C ALA A 125 71.152 37.845 91.260 1.00 42.03 MOL1 C ATOM 416 O ALA A 125 71.310 37.018 90.336 1.00 40.68 MOL1 O ATOM 417 CB ALA A 125 70.040 36.695 93.190 1.00 40.78 MOL1 C ATOM 418 H ALA A 125 70.814 38.858 94.253 1.00 0.00 MOL1 H ATOM 419 N THR A 126 70.779 39.110 90.998 1.00 39.78 MOL1 N ATOM 420 CA THR A 126 70.579 39.547 89.636 1.00 34.58 MOL1 C ATOM 421 C THR A 126 71.549 40.644 89.300 1.00 34.57 MOL1 C ATOM 422 O THR A 126 71.781 40.924 88.124 1.00 36.03 MOL1 O ATOM 423 CB THR A 126 69.175 40.064 89.456 1.00 30.34 MOL1 C ATOM 424 OG1 THR A 126 69.065 41.177 90.327 1.00 27.08 MOL1 O ATOM 425 CG2 THR A 126 68.116 39.021 89.734 1.00 30.47 MOL1 C ATOM 426 H THR A 126 70.608 39.735 91.729 1.00 0.00 MOL1 H ATOM 427 HG1 THR A 126 68.179 41.544 90.203 1.00 0.00 MOL1 H ATOM 428 N ARG A 127 72.069 41.293 90.331 1.00 32.06 MOL1 N ATOM 429 CA ARG A 127 72.850 42.500 90.224 1.00 32.62 MOL1 C ATOM 430 C ARG A 127 71.986 43.680 89.845 1.00 32.63 MOL1 C ATOM 431 O ARG A 127 72.429 44.824 89.818 1.00 32.87 MOL1 O ATOM 432 CB ARG A 127 73.956 42.398 89.192 1.00 34.54 MOL1 C ATOM 433 CG ARG A 127 74.850 41.227 89.524 1.00 39.55 MOL1 C ATOM 434 CD ARG A 127 75.344 41.234 90.932 1.00 43.09 MOL1 C ATOM 435 NE ARG A 127 75.772 42.585 91.216 1.00 46.90 MOL1 N ATOM 436 CZ ARG A 127 76.406 42.885 92.324 1.00 50.44 MOL1 C ATOM 437 NH1 ARG A 127 76.666 41.963 93.265 1.00 52.15 MOL1 N ATOM 438 NH2 ARG A 127 76.750 44.162 92.447 1.00 52.15 MOL1 N ATOM 439 H ARG A 127 71.915 40.950 91.228 1.00 0.00 MOL1 H ATOM 440 HE ARG A 127 75.521 43.327 90.641 1.00 0.00 MOL1 H ATOM 441 1HH1 ARG A 127 76.352 41.019 93.156 1.00 0.00 MOL1 H ATOM 442 2HH1 ARG A 127 77.144 42.227 94.103 1.00 0.00 MOL1 H ATOM 443 1HH2 ARG A 127 76.549 44.802 91.704 1.00 0.00 MOL1 H ATOM 444 2HH2 ARG A 127 77.263 44.465 93.253 1.00 0.00 MOL1 H ATOM 445 N LYS A 128 70.710 43.481 89.599 1.00 33.30 MOL1 N ATOM 446 CA LYS A 128 69.882 44.589 89.194 1.00 35.23 MOL1 C ATOM 447 C LYS A 128 69.547 45.364 90.462 1.00 35.24 MOL1 C ATOM 448 O LYS A 128 69.385 44.729 91.498 1.00 35.53 MOL1 O ATOM 449 CB LYS A 128 68.593 44.094 88.551 1.00 35.89 MOL1 C ATOM 450 CG LYS A 128 68.584 43.175 87.335 1.00 36.17 MOL1 C ATOM 451 CD LYS A 128 67.112 42.813 87.018 1.00 39.63 MOL1 C ATOM 452 CE LYS A 128 66.810 41.788 85.907 1.00 39.41 MOL1 C ATOM 453 NZ LYS A 128 65.434 41.352 86.079 1.00 40.52 MOL1 N ATOM 454 H LYS A 128 70.297 42.655 89.901 1.00 0.00 MOL1 H ATOM 455 1HZ LYS A 128 64.809 42.177 86.012 1.00 0.00 MOL1 H ATOM 456 2HZ LYS A 128 65.198 40.666 85.335 1.00 0.00 MOL1 H ATOM 457 3HZ LYS A 128 65.343 40.912 87.017 1.00 0.00 MOL1 H ATOM 458 N GLU A 129 69.488 46.684 90.474 1.00 37.63 MOL1 N ATOM 459 CA GLU A 129 69.031 47.457 91.637 1.00 42.34 MOL1 C ATOM 460 C GLU A 129 67.547 47.716 91.351 1.00 44.68 MOL1 C ATOM 461 O GLU A 129 67.027 47.233 90.333 1.00 45.48 MOL1 O ATOM 462 CB GLU A 129 69.774 48.830 91.788 1.00 43.00 MOL1 C ATOM 463 CG GLU A 129 71.282 48.603 91.530 1.00 47.31 MOL1 C ATOM 464 CD GLU A 129 72.295 49.699 91.858 1.00 48.94 MOL1 C ATOM 465 OE1 GLU A 129 71.890 50.875 91.883 1.00 52.23 MOL1 O ATOM 466 OE2 GLU A 129 73.478 49.366 92.074 1.00 46.61 MOL1 O ATOM 467 H GLU A 129 69.710 47.161 89.645 1.00 0.00 MOL1 H ATOM 468 N GLY A 130 66.824 48.416 92.229 1.00 46.08 MOL1 N ATOM 469 CA GLY A 130 65.424 48.707 92.013 1.00 47.02 MOL1 C ATOM 470 C GLY A 130 64.752 48.705 93.359 1.00 47.95 MOL1 C ATOM 471 O GLY A 130 65.439 48.965 94.341 1.00 49.45 MOL1 O ATOM 472 H GLY A 130 67.173 48.563 93.135 1.00 0.00 MOL1 H ATOM 473 N TYR A 131 63.452 48.455 93.504 1.00 47.65 MOL1 N ATOM 474 CA TYR A 131 62.828 48.513 94.819 1.00 46.97 MOL1 C ATOM 475 C TYR A 131 62.349 47.150 95.249 1.00 47.05 MOL1 C ATOM 476 O TYR A 131 62.050 46.256 94.448 1.00 47.40 MOL1 O ATOM 477 CB TYR A 131 61.630 49.458 94.841 1.00 46.21 MOL1 C ATOM 478 CG TYR A 131 61.960 50.946 94.748 1.00 45.90 MOL1 C ATOM 479 CD1 TYR A 131 62.567 51.601 95.814 1.00 45.69 MOL1 C ATOM 480 CD2 TYR A 131 61.607 51.667 93.609 1.00 46.73 MOL1 C ATOM 481 CE1 TYR A 131 62.822 52.969 95.761 1.00 46.87 MOL1 C ATOM 482 CE2 TYR A 131 61.863 53.042 93.543 1.00 48.54 MOL1 C ATOM 483 CZ TYR A 131 62.466 53.691 94.623 1.00 48.53 MOL1 C ATOM 484 OH TYR A 131 62.688 55.069 94.571 1.00 51.57 MOL1 O ATOM 485 H TYR A 131 62.935 48.190 92.717 1.00 0.00 MOL1 H ATOM 486 HH TYR A 131 62.646 55.374 93.661 1.00 0.00 MOL1 H ATOM 487 N ILE A 132 62.243 47.039 96.560 1.00 47.13 MOL1 N ATOM 488 CA ILE A 132 61.837 45.829 97.248 1.00 46.40 MOL1 C ATOM 489 C ILE A 132 60.606 46.099 98.173 1.00 46.64 MOL1 C ATOM 490 O ILE A 132 60.412 47.206 98.730 1.00 46.66 MOL1 O ATOM 491 CB ILE A 132 63.174 45.410 97.949 1.00 45.65 MOL1 C ATOM 492 CG1 ILE A 132 63.465 44.026 97.525 1.00 43.53 MOL1 C ATOM 493 CG2 ILE A 132 63.136 45.578 99.485 1.00 45.69 MOL1 C ATOM 494 CD1 ILE A 132 63.873 44.088 96.084 1.00 44.16 MOL1 C ATOM 495 H ILE A 132 62.423 47.822 97.120 1.00 0.00 MOL1 H ATOM 496 N PRO A 133 59.691 45.142 98.355 1.00 44.91 MOL1 N ATOM 497 CA PRO A 133 58.703 45.193 99.438 1.00 45.43 MOL1 C ATOM 498 C PRO A 133 59.280 44.885 100.842 1.00 45.36 MOL1 C ATOM 499 O PRO A 133 59.627 43.715 101.086 1.00 45.59 MOL1 O ATOM 500 CB PRO A 133 57.636 44.223 98.900 1.00 44.05 MOL1 C ATOM 501 CG PRO A 133 58.385 43.234 98.047 1.00 43.13 MOL1 C ATOM 502 CD PRO A 133 59.361 44.143 97.349 1.00 44.66 MOL1 C ATOM 503 N SER A 134 59.393 45.813 101.814 1.00 44.23 MOL1 N ATOM 504 CA SER A 134 60.093 45.519 103.059 1.00 43.89 MOL1 C ATOM 505 C SER A 134 59.497 44.361 103.813 1.00 45.63 MOL1 C ATOM 506 O SER A 134 60.223 43.594 104.429 1.00 47.37 MOL1 O ATOM 507 CB SER A 134 60.121 46.711 103.984 1.00 41.68 MOL1 C ATOM 508 OG SER A 134 59.225 47.706 103.549 1.00 42.37 MOL1 O ATOM 509 H SER A 134 58.957 46.690 101.737 1.00 0.00 MOL1 H ATOM 510 HG SER A 134 59.556 48.585 103.779 1.00 0.00 MOL1 H ATOM 511 N ASN A 135 58.199 44.137 103.705 1.00 46.35 MOL1 N ATOM 512 CA ASN A 135 57.613 42.986 104.341 1.00 47.33 MOL1 C ATOM 513 C ASN A 135 57.827 41.677 103.573 1.00 47.86 MOL1 C ATOM 514 O ASN A 135 57.095 40.709 103.776 1.00 48.49 MOL1 O ATOM 515 CB ASN A 135 56.093 43.280 104.608 1.00 50.33 MOL1 C ATOM 516 CG ASN A 135 55.162 43.817 103.508 1.00 53.03 MOL1 C ATOM 517 OD1 ASN A 135 55.466 44.751 102.755 1.00 55.91 MOL1 O ATOM 518 ND2 ASN A 135 53.961 43.275 103.384 1.00 52.91 MOL1 N ATOM 519 H ASN A 135 57.645 44.763 103.190 1.00 0.00 MOL1 H ATOM 520 1HD2 ASN A 135 53.380 43.616 102.666 1.00 0.00 MOL1 H ATOM 521 2HD2 ASN A 135 53.725 42.542 103.986 1.00 0.00 MOL1 H ATOM 522 N TYR A 136 58.773 41.521 102.652 1.00 48.83 MOL1 N ATOM 523 CA TYR A 136 59.050 40.208 102.090 1.00 50.88 MOL1 C ATOM 524 C TYR A 136 60.468 39.862 102.489 1.00 52.44 MOL1 C ATOM 525 O TYR A 136 60.956 38.754 102.297 1.00 51.34 MOL1 O ATOM 526 CB TYR A 136 58.932 40.196 100.547 1.00 52.24 MOL1 C ATOM 527 CG TYR A 136 57.500 40.096 99.950 1.00 54.71 MOL1 C ATOM 528 CD1 TYR A 136 56.560 41.100 100.230 1.00 53.81 MOL1 C ATOM 529 CD2 TYR A 136 57.094 39.019 99.125 1.00 54.42 MOL1 C ATOM 530 CE1 TYR A 136 55.267 41.054 99.713 1.00 52.12 MOL1 C ATOM 531 CE2 TYR A 136 55.788 38.967 98.607 1.00 53.34 MOL1 C ATOM 532 CZ TYR A 136 54.879 39.995 98.911 1.00 53.07 MOL1 C ATOM 533 OH TYR A 136 53.566 40.011 98.449 1.00 54.14 MOL1 O ATOM 534 H TYR A 136 59.338 42.272 102.376 1.00 0.00 MOL1 H ATOM 535 HH TYR A 136 53.290 39.118 98.213 1.00 0.00 MOL1 H ATOM 536 N VAL A 137 61.175 40.800 103.079 1.00 55.22 MOL1 N ATOM 537 CA VAL A 137 62.541 40.582 103.423 1.00 59.80 MOL1 C ATOM 538 C VAL A 137 62.650 40.738 104.908 1.00 65.58 MOL1 C ATOM 539 O VAL A 137 61.747 41.252 105.564 1.00 67.24 MOL1 O ATOM 540 CB VAL A 137 63.514 41.588 102.756 1.00 57.87 MOL1 C ATOM 541 CG1 VAL A 137 63.358 41.370 101.272 1.00 57.23 MOL1 C ATOM 542 CG2 VAL A 137 63.281 43.046 103.149 1.00 56.14 MOL1 C ATOM 543 H VAL A 137 60.743 41.575 103.492 1.00 0.00 MOL1 H ATOM 544 N ALA A 138 63.775 40.274 105.433 1.00 71.74 MOL1 N ATOM 545 CA ALA A 138 64.151 40.413 106.837 1.00 76.52 MOL1 C ATOM 546 C ALA A 138 65.681 40.467 106.886 1.00 79.34 MOL1 C ATOM 547 O ALA A 138 66.307 40.088 105.885 1.00 79.90 MOL1 O ATOM 548 CB ALA A 138 63.654 39.201 107.615 1.00 76.45 MOL1 C ATOM 549 H ALA A 138 64.364 39.739 104.861 1.00 0.00 MOL1 H ATOM 550 N ARG A 139 66.344 40.963 107.942 1.00 82.56 MOL1 N ATOM 551 CA ARG A 139 67.817 40.971 108.007 1.00 86.15 MOL1 C ATOM 552 C ARG A 139 68.301 39.495 108.102 1.00 86.96 MOL1 C ATOM 553 O ARG A 139 67.641 38.712 108.802 1.00 87.35 MOL1 O ATOM 554 CB ARG A 139 68.166 41.863 109.226 1.00 88.76 MOL1 C ATOM 555 CG ARG A 139 69.618 42.275 109.582 1.00 92.25 MOL1 C ATOM 556 CD ARG A 139 69.727 43.128 110.896 1.00 94.37 MOL1 C ATOM 557 NE ARG A 139 68.983 42.517 112.004 1.00 96.27 MOL1 N ATOM 558 CZ ARG A 139 69.462 42.132 113.206 1.00 96.42 MOL1 C ATOM 559 NH1 ARG A 139 70.736 42.273 113.580 1.00 95.82 MOL1 N ATOM 560 NH2 ARG A 139 68.602 41.534 114.042 1.00 96.17 MOL1 N ATOM 561 H ARG A 139 65.829 41.291 108.707 1.00 0.00 MOL1 H ATOM 562 HE ARG A 139 68.018 42.398 111.874 1.00 0.00 MOL1 H ATOM 563 1HH1 ARG A 139 71.406 42.675 112.958 1.00 0.00 MOL1 H ATOM 564 2HH1 ARG A 139 71.011 41.966 114.492 1.00 0.00 MOL1 H ATOM 565 1HH2 ARG A 139 67.650 41.417 113.751 1.00 0.00 MOL1 H ATOM 566 2HH2 ARG A 139 68.879 41.244 114.957 1.00 0.00 MOL1 H ATOM 567 N VAL A 140 69.384 39.020 107.447 1.00 87.62 MOL1 N ATOM 568 CA VAL A 140 69.712 37.584 107.399 1.00 88.01 MOL1 C ATOM 569 C VAL A 140 70.141 36.962 108.725 1.00 87.56 MOL1 C ATOM 570 O VAL A 140 70.799 37.549 109.587 1.00 86.16 MOL1 O ATOM 571 CB VAL A 140 70.834 37.289 106.325 1.00 89.75 MOL1 C ATOM 572 CG1 VAL A 140 70.955 35.784 106.046 1.00 90.32 MOL1 C ATOM 573 CG2 VAL A 140 70.482 37.921 104.988 1.00 90.53 MOL1 C ATOM 574 H VAL A 140 69.972 39.654 106.978 1.00 0.00 MOL1 H ATOM 575 N ASP A 141 69.653 35.724 108.838 1.00 88.02 MOL1 N ATOM 576 CA ASP A 141 69.775 34.826 109.978 1.00 88.81 MOL1 C ATOM 577 C ASP A 141 69.174 35.352 111.294 1.00 88.19 MOL1 C ATOM 578 O ASP A 141 69.323 34.719 112.344 1.00 88.64 MOL1 O ATOM 579 CB ASP A 141 71.274 34.422 110.140 1.00 89.70 MOL1 C ATOM 580 CG ASP A 141 71.746 33.257 109.246 1.00 91.26 MOL1 C ATOM 581 OD1 ASP A 141 71.130 32.960 108.214 1.00 91.38 MOL1 O ATOM 582 OD2 ASP A 141 72.750 32.630 109.593 1.00 91.84 MOL1 O ATOM 583 H ASP A 141 69.090 35.414 108.103 1.00 0.00 MOL1 H ATOM 584 N SER A 142 68.420 36.471 111.259 1.00 87.12 MOL1 N ATOM 585 CA SER A 142 67.675 36.960 112.408 1.00 85.47 MOL1 C ATOM 586 C SER A 142 66.369 36.169 112.456 1.00 85.35 MOL1 C ATOM 587 O SER A 142 65.892 35.678 111.430 1.00 84.42 MOL1 O ATOM 588 CB SER A 142 67.374 38.464 112.278 1.00 84.18 MOL1 C ATOM 589 OG SER A 142 66.383 38.845 111.332 1.00 79.84 MOL1 O ATOM 590 H SER A 142 68.375 37.004 110.441 1.00 0.00 MOL1 H ATOM 591 HG SER A 142 66.752 38.813 110.438 1.00 0.00 MOL1 H ATOM 592 N LEU A 143 65.734 36.108 113.625 1.00 85.57 MOL1 N ATOM 593 CA LEU A 143 64.561 35.277 113.929 1.00 86.17 MOL1 C ATOM 594 C LEU A 143 63.658 34.716 112.824 1.00 84.86 MOL1 C ATOM 595 O LEU A 143 63.658 33.524 112.487 1.00 84.16 MOL1 O ATOM 596 CB LEU A 143 63.628 36.029 114.916 1.00 88.88 MOL1 C ATOM 597 CG LEU A 143 63.895 36.366 116.400 1.00 90.54 MOL1 C ATOM 598 CD1 LEU A 143 64.189 35.064 117.138 1.00 90.25 MOL1 C ATOM 599 CD2 LEU A 143 65.019 37.407 116.531 1.00 92.26 MOL1 C ATOM 600 H LEU A 143 66.096 36.665 114.341 1.00 0.00 MOL1 H ATOM 601 N GLU A 144 63.038 35.720 112.203 1.00 82.20 MOL1 N ATOM 602 CA GLU A 144 61.970 35.608 111.239 1.00 80.77 MOL1 C ATOM 603 C GLU A 144 62.224 34.584 110.158 1.00 79.25 MOL1 C ATOM 604 O GLU A 144 61.348 33.856 109.694 1.00 78.31 MOL1 O ATOM 605 CB GLU A 144 61.763 36.972 110.620 1.00 82.50 MOL1 C ATOM 606 CG GLU A 144 61.536 38.133 111.603 1.00 87.43 MOL1 C ATOM 607 CD GLU A 144 62.743 39.027 111.954 1.00 89.92 MOL1 C ATOM 608 OE1 GLU A 144 63.645 38.587 112.674 1.00 90.23 MOL1 O ATOM 609 OE2 GLU A 144 62.773 40.188 111.522 1.00 91.68 MOL1 O ATOM 610 H GLU A 144 63.426 36.599 112.341 1.00 0.00 MOL1 H ATOM 611 N THR A 145 63.501 34.570 109.801 1.00 78.53 MOL1 N ATOM 612 CA THR A 145 64.069 33.688 108.793 1.00 77.86 MOL1 C ATOM 613 C THR A 145 63.630 32.240 108.923 1.00 77.84 MOL1 C ATOM 614 O THR A 145 63.277 31.525 107.979 1.00 78.10 MOL1 O ATOM 615 CB THR A 145 65.602 33.784 108.906 1.00 77.20 MOL1 C ATOM 616 OG1 THR A 145 65.895 35.167 108.733 1.00 75.45 MOL1 O ATOM 617 CG2 THR A 145 66.363 32.872 107.943 1.00 76.35 MOL1 C ATOM 618 H THR A 145 64.121 35.190 110.241 1.00 0.00 MOL1 H ATOM 619 HG1 THR A 145 66.039 35.571 109.594 1.00 0.00 MOL1 H ATOM 620 N GLU A 146 63.690 31.823 110.178 1.00 77.57 MOL1 N ATOM 621 CA GLU A 146 63.502 30.448 110.485 1.00 76.72 MOL1 C ATOM 622 C GLU A 146 62.023 30.107 110.422 1.00 74.24 MOL1 C ATOM 623 O GLU A 146 61.228 30.389 111.303 1.00 74.73 MOL1 O ATOM 624 CB GLU A 146 64.203 30.272 111.843 1.00 79.23 MOL1 C ATOM 625 CG GLU A 146 65.781 30.235 111.855 1.00 83.53 MOL1 C ATOM 626 CD GLU A 146 66.485 28.959 111.297 1.00 86.56 MOL1 C ATOM 627 OE1 GLU A 146 66.122 27.840 111.681 1.00 86.98 MOL1 O ATOM 628 OE2 GLU A 146 67.416 29.071 110.483 1.00 88.28 MOL1 O ATOM 629 H GLU A 146 63.711 32.477 110.908 1.00 0.00 MOL1 H ATOM 630 N GLU A 147 61.676 29.545 109.274 1.00 71.44 MOL1 N ATOM 631 CA GLU A 147 60.370 29.032 108.896 1.00 69.46 MOL1 C ATOM 632 C GLU A 147 59.225 28.906 109.882 1.00 67.01 MOL1 C ATOM 633 O GLU A 147 58.086 29.205 109.546 1.00 66.16 MOL1 O ATOM 634 CB GLU A 147 60.593 27.654 108.237 1.00 71.92 MOL1 C ATOM 635 CG GLU A 147 61.013 27.510 106.741 1.00 73.80 MOL1 C ATOM 636 CD GLU A 147 59.909 27.647 105.675 1.00 74.95 MOL1 C ATOM 637 OE1 GLU A 147 59.568 28.780 105.310 1.00 74.73 MOL1 O ATOM 638 OE2 GLU A 147 59.412 26.622 105.188 1.00 75.18 MOL1 O ATOM 639 H GLU A 147 62.350 29.587 108.566 1.00 0.00 MOL1 H ATOM 640 N TRP A 148 59.574 28.390 111.069 1.00 65.26 MOL1 N ATOM 641 CA TRP A 148 58.669 28.118 112.194 1.00 63.10 MOL1 C ATOM 642 C TRP A 148 58.342 29.276 113.110 1.00 60.67 MOL1 C ATOM 643 O TRP A 148 57.527 29.156 114.032 1.00 61.68 MOL1 O ATOM 644 CB TRP A 148 59.205 27.040 113.113 1.00 62.59 MOL1 C ATOM 645 CG TRP A 148 60.711 27.108 113.401 1.00 64.41 MOL1 C ATOM 646 CD1 TRP A 148 61.534 26.150 112.824 1.00 63.80 MOL1 C ATOM 647 CD2 TRP A 148 61.398 27.991 114.239 1.00 62.78 MOL1 C ATOM 648 NE1 TRP A 148 62.725 26.404 113.297 1.00 63.75 MOL1 N ATOM 649 CE2 TRP A 148 62.709 27.476 114.136 1.00 62.48 MOL1 C ATOM 650 CE3 TRP A 148 61.175 29.109 115.061 1.00 61.35 MOL1 C ATOM 651 CZ2 TRP A 148 63.775 28.061 114.842 1.00 60.17 MOL1 C ATOM 652 CZ3 TRP A 148 62.243 29.695 115.765 1.00 60.62 MOL1 C ATOM 653 CH2 TRP A 148 63.533 29.172 115.656 1.00 60.05 MOL1 C ATOM 654 H TRP A 148 60.535 28.313 111.239 1.00 0.00 MOL1 H ATOM 655 HE1 TRP A 148 63.490 25.812 113.151 1.00 0.00 MOL1 H ATOM 656 N PHE A 149 59.007 30.386 112.889 1.00 57.10 MOL1 N ATOM 657 CA PHE A 149 58.774 31.515 113.707 1.00 54.65 MOL1 C ATOM 658 C PHE A 149 57.813 32.402 112.986 1.00 52.44 MOL1 C ATOM 659 O PHE A 149 58.083 32.694 111.829 1.00 51.87 MOL1 O ATOM 660 CB PHE A 149 60.059 32.250 113.940 1.00 56.35 MOL1 C ATOM 661 CG PHE A 149 59.725 33.362 114.908 1.00 59.00 MOL1 C ATOM 662 CD1 PHE A 149 59.349 33.038 116.219 1.00 58.70 MOL1 C ATOM 663 CD2 PHE A 149 59.719 34.694 114.462 1.00 60.31 MOL1 C ATOM 664 CE1 PHE A 149 58.961 34.056 117.077 1.00 59.22 MOL1 C ATOM 665 CE2 PHE A 149 59.323 35.707 115.343 1.00 60.98 MOL1 C ATOM 666 CZ PHE A 149 58.943 35.388 116.648 1.00 60.31 MOL1 C ATOM 667 H PHE A 149 59.523 30.508 112.065 1.00 0.00 MOL1 H ATOM 668 N PHE A 150 56.782 32.913 113.649 1.00 51.39 MOL1 N ATOM 669 CA PHE A 150 55.867 33.868 113.026 1.00 52.53 MOL1 C ATOM 670 C PHE A 150 55.811 35.246 113.737 1.00 53.20 MOL1 C ATOM 671 O PHE A 150 55.266 35.317 114.834 1.00 54.11 MOL1 O ATOM 672 CB PHE A 150 54.495 33.176 112.962 1.00 51.03 MOL1 C ATOM 673 CG PHE A 150 54.483 32.161 111.828 1.00 52.21 MOL1 C ATOM 674 CD1 PHE A 150 54.275 32.569 110.504 1.00 52.92 MOL1 C ATOM 675 CD2 PHE A 150 54.721 30.809 112.101 1.00 53.81 MOL1 C ATOM 676 CE1 PHE A 150 54.318 31.609 109.481 1.00 55.40 MOL1 C ATOM 677 CE2 PHE A 150 54.760 29.849 111.083 1.00 53.89 MOL1 C ATOM 678 CZ PHE A 150 54.559 30.253 109.766 1.00 54.90 MOL1 C ATOM 679 H PHE A 150 56.661 32.686 114.598 1.00 0.00 MOL1 H ATOM 680 N LYS A 151 56.257 36.407 113.201 1.00 55.09 MOL1 N ATOM 681 CA LYS A 151 56.394 37.639 114.008 1.00 58.14 MOL1 C ATOM 682 C LYS A 151 55.228 38.447 114.614 1.00 57.90 MOL1 C ATOM 683 O LYS A 151 54.972 38.228 115.804 1.00 59.04 MOL1 O ATOM 684 CB LYS A 151 57.293 38.664 113.239 1.00 61.37 MOL1 C ATOM 685 CG LYS A 151 57.871 39.925 114.000 1.00 65.58 MOL1 C ATOM 686 CD LYS A 151 59.049 39.646 114.977 1.00 71.17 MOL1 C ATOM 687 CE LYS A 151 59.719 40.817 115.783 1.00 73.49 MOL1 C ATOM 688 NZ LYS A 151 60.780 40.340 116.688 1.00 72.91 MOL1 N ATOM 689 H LYS A 151 56.495 36.421 112.254 1.00 0.00 MOL1 H ATOM 690 1HZ LYS A 151 60.388 39.622 117.333 1.00 0.00 MOL1 H ATOM 691 2HZ LYS A 151 61.553 39.920 116.131 1.00 0.00 MOL1 H ATOM 692 3HZ LYS A 151 61.141 41.141 117.247 1.00 0.00 MOL1 H ATOM 693 N GLY A 152 54.472 39.368 113.982 1.00 55.98 MOL1 N ATOM 694 CA GLY A 152 53.497 40.221 114.693 1.00 53.41 MOL1 C ATOM 695 C GLY A 152 52.154 39.582 115.053 1.00 51.64 MOL1 C ATOM 696 O GLY A 152 51.091 40.219 114.996 1.00 52.70 MOL1 O ATOM 697 H GLY A 152 54.545 39.488 113.016 1.00 0.00 MOL1 H ATOM 698 N ILE A 153 52.181 38.313 115.451 1.00 48.95 MOL1 N ATOM 699 CA ILE A 153 50.974 37.546 115.726 1.00 45.00 MOL1 C ATOM 700 C ILE A 153 50.447 37.794 117.141 1.00 43.78 MOL1 C ATOM 701 O ILE A 153 51.177 38.023 118.106 1.00 42.06 MOL1 O ATOM 702 CB ILE A 153 51.290 36.036 115.470 1.00 42.46 MOL1 C ATOM 703 CG1 ILE A 153 51.827 35.813 114.074 1.00 40.34 MOL1 C ATOM 704 CG2 ILE A 153 50.041 35.226 115.579 1.00 40.92 MOL1 C ATOM 705 CD1 ILE A 153 50.977 36.379 112.918 1.00 41.39 MOL1 C ATOM 706 H ILE A 153 53.040 37.930 115.724 1.00 0.00 MOL1 H ATOM 707 N SER A 154 49.124 37.865 117.222 1.00 41.89 MOL1 N ATOM 708 CA SER A 154 48.482 37.956 118.505 1.00 40.34 MOL1 C ATOM 709 C SER A 154 48.201 36.522 118.902 1.00 38.18 MOL1 C ATOM 710 O SER A 154 48.367 35.643 118.045 1.00 37.51 MOL1 O ATOM 711 CB SER A 154 47.203 38.763 118.355 1.00 42.84 MOL1 C ATOM 712 OG SER A 154 46.180 38.162 117.552 1.00 46.04 MOL1 O ATOM 713 H SER A 154 48.568 37.824 116.418 1.00 0.00 MOL1 H ATOM 714 HG SER A 154 45.577 38.872 117.286 1.00 0.00 MOL1 H ATOM 715 N ARG A 155 47.696 36.215 120.095 1.00 36.28 MOL1 N ATOM 716 CA ARG A 155 47.504 34.820 120.432 1.00 37.45 MOL1 C ATOM 717 C ARG A 155 46.302 34.149 119.729 1.00 38.51 MOL1 C ATOM 718 O ARG A 155 46.229 32.920 119.498 1.00 37.97 MOL1 O ATOM 719 CB ARG A 155 47.374 34.779 121.905 1.00 39.22 MOL1 C ATOM 720 CG ARG A 155 47.500 33.377 122.445 1.00 43.27 MOL1 C ATOM 721 CD ARG A 155 47.073 33.270 123.911 1.00 43.85 MOL1 C ATOM 722 NE ARG A 155 45.628 33.304 124.079 1.00 43.89 MOL1 N ATOM 723 CZ ARG A 155 45.018 34.331 124.696 1.00 45.28 MOL1 C ATOM 724 NH1 ARG A 155 45.722 35.378 125.206 1.00 47.37 MOL1 N ATOM 725 NH2 ARG A 155 43.683 34.334 124.717 1.00 40.17 MOL1 N ATOM 726 H ARG A 155 47.566 36.914 120.762 1.00 0.00 MOL1 H ATOM 727 HE ARG A 155 45.093 32.553 123.744 1.00 0.00 MOL1 H ATOM 728 1HH1 ARG A 155 46.719 35.411 125.113 1.00 0.00 MOL1 H ATOM 729 2HH1 ARG A 155 45.239 36.134 125.643 1.00 0.00 MOL1 H ATOM 730 1HH2 ARG A 155 43.180 33.594 124.271 1.00 0.00 MOL1 H ATOM 731 2HH2 ARG A 155 43.195 35.085 125.156 1.00 0.00 MOL1 H ATOM 732 N LYS A 156 45.300 34.969 119.384 1.00 37.34 MOL1 N ATOM 733 CA LYS A 156 44.188 34.437 118.657 1.00 35.93 MOL1 C ATOM 734 C LYS A 156 44.559 34.334 117.217 1.00 34.82 MOL1 C ATOM 735 O LYS A 156 44.242 33.323 116.610 1.00 33.96 MOL1 O ATOM 736 CB LYS A 156 42.979 35.318 118.818 1.00 38.41 MOL1 C ATOM 737 CG LYS A 156 42.011 34.676 119.854 1.00 41.61 MOL1 C ATOM 738 CD LYS A 156 40.985 33.660 119.277 1.00 42.61 MOL1 C ATOM 739 CE LYS A 156 40.552 32.549 120.249 1.00 41.33 MOL1 C ATOM 740 NZ LYS A 156 39.324 31.911 119.805 1.00 42.12 MOL1 N ATOM 741 H LYS A 156 45.329 35.915 119.615 1.00 0.00 MOL1 H ATOM 742 1HZ LYS A 156 38.616 32.660 119.657 1.00 0.00 MOL1 H ATOM 743 2HZ LYS A 156 39.461 31.386 118.916 1.00 0.00 MOL1 H ATOM 744 3HZ LYS A 156 39.001 31.273 120.561 1.00 0.00 MOL1 H ATOM 745 N ASP A 157 45.282 35.290 116.638 1.00 34.66 MOL1 N ATOM 746 CA ASP A 157 45.633 35.160 115.230 1.00 34.20 MOL1 C ATOM 747 C ASP A 157 46.448 33.918 114.965 1.00 32.08 MOL1 C ATOM 748 O ASP A 157 46.250 33.249 113.950 1.00 31.01 MOL1 O ATOM 749 CB ASP A 157 46.371 36.435 114.756 1.00 34.70 MOL1 C ATOM 750 CG ASP A 157 45.363 37.554 114.453 1.00 37.32 MOL1 C ATOM 751 OD1 ASP A 157 44.261 37.268 113.951 1.00 37.92 MOL1 O ATOM 752 OD2 ASP A 157 45.687 38.725 114.705 1.00 39.71 MOL1 O ATOM 753 H ASP A 157 45.616 36.054 117.149 1.00 0.00 MOL1 H ATOM 754 N ALA A 158 47.210 33.568 115.994 1.00 31.17 MOL1 N ATOM 755 CA ALA A 158 47.939 32.334 115.969 1.00 32.71 MOL1 C ATOM 756 C ALA A 158 46.972 31.172 115.898 1.00 34.49 MOL1 C ATOM 757 O ALA A 158 47.103 30.296 115.041 1.00 34.99 MOL1 O ATOM 758 CB ALA A 158 48.741 32.170 117.221 1.00 32.73 MOL1 C ATOM 759 H ALA A 158 47.321 34.177 116.749 1.00 0.00 MOL1 H ATOM 760 N GLU A 159 45.976 31.184 116.786 1.00 37.08 MOL1 N ATOM 761 CA GLU A 159 44.975 30.143 116.825 1.00 38.80 MOL1 C ATOM 762 C GLU A 159 44.317 30.126 115.455 1.00 38.96 MOL1 C ATOM 763 O GLU A 159 44.478 29.114 114.782 1.00 41.28 MOL1 O ATOM 764 CB GLU A 159 43.881 30.407 117.882 1.00 43.47 MOL1 C ATOM 765 CG GLU A 159 44.233 30.378 119.378 1.00 47.16 MOL1 C ATOM 766 CD GLU A 159 43.223 29.692 120.336 1.00 52.27 MOL1 C ATOM 767 OE1 GLU A 159 42.340 28.905 119.911 1.00 54.97 MOL1 O ATOM 768 OE2 GLU A 159 43.342 29.943 121.549 1.00 54.06 MOL1 O ATOM 769 H GLU A 159 45.893 31.960 117.377 1.00 0.00 MOL1 H ATOM 770 N ARG A 160 43.661 31.163 114.924 1.00 38.19 MOL1 N ATOM 771 CA ARG A 160 43.033 31.109 113.606 1.00 37.70 MOL1 C ATOM 772 C ARG A 160 43.940 30.566 112.495 1.00 38.37 MOL1 C ATOM 773 O ARG A 160 43.569 29.669 111.726 1.00 38.56 MOL1 O ATOM 774 CB ARG A 160 42.581 32.492 113.208 1.00 38.14 MOL1 C ATOM 775 CG ARG A 160 41.521 33.063 114.143 1.00 37.26 MOL1 C ATOM 776 CD ARG A 160 40.761 34.283 113.618 1.00 35.18 MOL1 C ATOM 777 NE ARG A 160 39.984 34.743 114.750 1.00 32.89 MOL1 N ATOM 778 CZ ARG A 160 40.269 35.840 115.453 1.00 33.25 MOL1 C ATOM 779 NH1 ARG A 160 41.292 36.667 115.175 1.00 33.41 MOL1 N ATOM 780 NH2 ARG A 160 39.551 36.027 116.548 1.00 32.15 MOL1 N ATOM 781 H ARG A 160 43.613 31.993 115.443 1.00 0.00 MOL1 H ATOM 782 HE ARG A 160 39.231 34.206 115.060 1.00 0.00 MOL1 H ATOM 783 1HH1 ARG A 160 41.889 36.484 114.393 1.00 0.00 MOL1 H ATOM 784 2HH1 ARG A 160 41.437 37.473 115.748 1.00 0.00 MOL1 H ATOM 785 1HH2 ARG A 160 38.836 35.372 116.785 1.00 0.00 MOL1 H ATOM 786 2HH2 ARG A 160 39.717 36.821 117.131 1.00 0.00 MOL1 H ATOM 787 N GLN A 161 45.177 31.050 112.435 1.00 37.48 MOL1 N ATOM 788 CA GLN A 161 46.097 30.587 111.433 1.00 36.62 MOL1 C ATOM 789 C GLN A 161 46.410 29.113 111.391 1.00 34.74 MOL1 C ATOM 790 O GLN A 161 46.566 28.558 110.294 1.00 33.55 MOL1 O ATOM 791 CB GLN A 161 47.364 31.298 111.580 1.00 39.56 MOL1 C ATOM 792 CG GLN A 161 47.172 32.681 111.019 1.00 43.61 MOL1 C ATOM 793 CD GLN A 161 48.537 33.176 110.593 1.00 45.06 MOL1 C ATOM 794 OE1 GLN A 161 49.044 34.209 111.039 1.00 45.60 MOL1 O ATOM 795 NE2 GLN A 161 49.142 32.394 109.707 1.00 45.41 MOL1 N ATOM 796 H GLN A 161 45.466 31.720 113.096 1.00 0.00 MOL1 H ATOM 797 1HE2 GLN A 161 50.043 32.632 109.409 1.00 0.00 MOL1 H ATOM 798 2HE2 GLN A 161 48.678 31.591 109.391 1.00 0.00 MOL1 H ATOM 799 N LEU A 162 46.560 28.492 112.554 1.00 33.13 MOL1 N ATOM 800 CA LEU A 162 46.811 27.050 112.590 1.00 31.83 MOL1 C ATOM 801 C LEU A 162 45.547 26.274 112.270 1.00 31.98 MOL1 C ATOM 802 O LEU A 162 45.584 25.182 111.707 1.00 28.73 MOL1 O ATOM 803 CB LEU A 162 47.332 26.639 113.963 1.00 25.94 MOL1 C ATOM 804 CG LEU A 162 48.782 26.747 114.152 1.00 20.12 MOL1 C ATOM 805 CD1 LEU A 162 49.051 26.746 115.602 1.00 19.54 MOL1 C ATOM 806 CD2 LEU A 162 49.477 25.589 113.492 1.00 19.09 MOL1 C ATOM 807 H LEU A 162 46.510 29.018 113.387 1.00 0.00 MOL1 H ATOM 808 N LEU A 163 44.421 26.895 112.603 1.00 34.56 MOL1 N ATOM 809 CA LEU A 163 43.140 26.308 112.331 1.00 40.41 MOL1 C ATOM 810 C LEU A 163 42.735 26.485 110.881 1.00 46.38 MOL1 C ATOM 811 O LEU A 163 41.604 26.173 110.511 1.00 47.71 MOL1 O ATOM 812 CB LEU A 163 42.148 26.933 113.289 1.00 38.62 MOL1 C ATOM 813 CG LEU A 163 42.077 26.165 114.596 1.00 36.48 MOL1 C ATOM 814 CD1 LEU A 163 41.457 26.897 115.783 1.00 34.16 MOL1 C ATOM 815 CD2 LEU A 163 41.265 24.963 114.225 1.00 37.81 MOL1 C ATOM 816 H LEU A 163 44.454 27.773 113.045 1.00 0.00 MOL1 H ATOM 817 N ALA A 164 43.654 27.050 110.074 1.00 53.09 MOL1 N ATOM 818 CA ALA A 164 43.581 27.097 108.618 1.00 57.81 MOL1 C ATOM 819 C ALA A 164 43.740 25.652 108.135 1.00 61.34 MOL1 C ATOM 820 O ALA A 164 44.484 24.849 108.729 1.00 61.99 MOL1 O ATOM 821 CB ALA A 164 44.738 27.890 107.985 1.00 57.42 MOL1 C ATOM 822 H ALA A 164 44.424 27.471 110.496 1.00 0.00 MOL1 H ATOM 823 N PRO A 165 43.058 25.247 107.060 1.00 65.30 MOL1 N ATOM 824 CA PRO A 165 43.222 23.930 106.442 1.00 67.97 MOL1 C ATOM 825 C PRO A 165 44.656 23.775 105.913 1.00 69.05 MOL1 C ATOM 826 O PRO A 165 45.316 24.786 105.604 1.00 69.06 MOL1 O ATOM 827 CB PRO A 165 42.160 23.909 105.351 1.00 68.44 MOL1 C ATOM 828 CG PRO A 165 42.147 25.369 104.911 1.00 67.48 MOL1 C ATOM 829 CD PRO A 165 42.137 26.071 106.271 1.00 66.49 MOL1 C ATOM 830 N GLY A 166 45.118 22.513 105.810 1.00 68.86 MOL1 N ATOM 831 CA GLY A 166 46.450 22.220 105.298 1.00 67.88 MOL1 C ATOM 832 C GLY A 166 47.427 22.054 106.455 1.00 68.14 MOL1 C ATOM 833 O GLY A 166 48.466 21.424 106.303 1.00 70.25 MOL1 O ATOM 834 H GLY A 166 44.579 21.768 106.149 1.00 0.00 MOL1 H ATOM 835 N ASN A 167 47.174 22.633 107.626 1.00 66.20 MOL1 N ATOM 836 CA ASN A 167 47.992 22.372 108.783 1.00 63.38 MOL1 C ATOM 837 C ASN A 167 47.481 21.004 109.229 1.00 64.31 MOL1 C ATOM 838 O ASN A 167 46.435 20.516 108.772 1.00 64.66 MOL1 O ATOM 839 CB ASN A 167 47.725 23.432 109.825 1.00 60.29 MOL1 C ATOM 840 CG ASN A 167 48.179 24.818 109.425 1.00 57.53 MOL1 C ATOM 841 OD1 ASN A 167 49.360 25.076 109.204 1.00 56.89 MOL1 O ATOM 842 ND2 ASN A 167 47.275 25.770 109.331 1.00 55.39 MOL1 N ATOM 843 H ASN A 167 46.399 23.216 107.718 1.00 0.00 MOL1 H ATOM 844 1HD2 ASN A 167 47.536 26.690 109.118 1.00 0.00 MOL1 H ATOM 845 2HD2 ASN A 167 46.345 25.502 109.516 1.00 0.00 MOL1 H ATOM 846 N MET A 168 48.179 20.337 110.129 1.00 64.98 MOL1 N ATOM 847 CA MET A 168 47.835 19.022 110.637 1.00 64.80 MOL1 C ATOM 848 C MET A 168 47.961 19.017 112.160 1.00 62.83 MOL1 C ATOM 849 O MET A 168 48.325 20.004 112.809 1.00 61.97 MOL1 O ATOM 850 CB MET A 168 48.784 17.987 110.051 1.00 68.53 MOL1 C ATOM 851 CG MET A 168 50.257 18.324 110.351 1.00 73.02 MOL1 C ATOM 852 SD MET A 168 51.563 17.144 109.880 1.00 78.67 MOL1 S ATOM 853 CE MET A 168 51.202 16.922 108.150 1.00 75.86 MOL1 C ATOM 854 H MET A 168 48.947 20.774 110.529 1.00 0.00 MOL1 H ATOM 855 N LEU A 169 47.747 17.863 112.770 1.00 60.29 MOL1 N ATOM 856 CA LEU A 169 47.894 17.730 114.203 1.00 58.41 MOL1 C ATOM 857 C LEU A 169 49.374 17.684 114.508 1.00 57.03 MOL1 C ATOM 858 O LEU A 169 50.150 16.906 113.938 1.00 57.73 MOL1 O ATOM 859 CB LEU A 169 47.287 16.474 114.676 1.00 59.28 MOL1 C ATOM 860 CG LEU A 169 45.853 16.355 114.284 1.00 61.49 MOL1 C ATOM 861 CD1 LEU A 169 45.728 15.529 112.980 1.00 62.66 MOL1 C ATOM 862 CD2 LEU A 169 45.107 15.791 115.493 1.00 62.39 MOL1 C ATOM 863 H LEU A 169 47.608 17.060 112.236 1.00 0.00 MOL1 H ATOM 864 N GLY A 170 49.761 18.589 115.377 1.00 54.16 MOL1 N ATOM 865 CA GLY A 170 51.149 18.722 115.698 1.00 50.59 MOL1 C ATOM 866 C GLY A 170 51.664 19.939 114.996 1.00 48.59 MOL1 C ATOM 867 O GLY A 170 52.708 20.449 115.387 1.00 47.58 MOL1 O ATOM 868 H GLY A 170 49.119 19.191 115.805 1.00 0.00 MOL1 H ATOM 869 N SER A 171 50.988 20.428 113.962 1.00 48.15 MOL1 N ATOM 870 CA SER A 171 51.409 21.645 113.294 1.00 49.44 MOL1 C ATOM 871 C SER A 171 51.656 22.694 114.349 1.00 49.24 MOL1 C ATOM 872 O SER A 171 50.905 22.700 115.336 1.00 51.29 MOL1 O ATOM 873 CB SER A 171 50.334 22.181 112.346 1.00 51.30 MOL1 C ATOM 874 OG SER A 171 50.378 21.724 110.988 1.00 52.66 MOL1 O ATOM 875 H SER A 171 50.167 19.998 113.660 1.00 0.00 MOL1 H ATOM 876 HG SER A 171 51.128 22.157 110.559 1.00 0.00 MOL1 H ATOM 877 N PHE A 172 52.663 23.540 114.173 1.00 48.42 MOL1 N ATOM 878 CA PHE A 172 53.019 24.494 115.215 1.00 47.70 MOL1 C ATOM 879 C PHE A 172 53.636 25.800 114.741 1.00 46.73 MOL1 C ATOM 880 O PHE A 172 53.717 26.057 113.529 1.00 47.89 MOL1 O ATOM 881 CB PHE A 172 53.984 23.811 116.184 1.00 46.89 MOL1 C ATOM 882 CG PHE A 172 55.299 23.455 115.549 1.00 46.99 MOL1 C ATOM 883 CD1 PHE A 172 55.397 22.297 114.774 1.00 47.53 MOL1 C ATOM 884 CD2 PHE A 172 56.387 24.329 115.700 1.00 49.13 MOL1 C ATOM 885 CE1 PHE A 172 56.608 22.005 114.133 1.00 49.54 MOL1 C ATOM 886 CE2 PHE A 172 57.599 24.041 115.061 1.00 49.73 MOL1 C ATOM 887 CZ PHE A 172 57.703 22.875 114.278 1.00 50.87 MOL1 C ATOM 888 H PHE A 172 53.198 23.489 113.351 1.00 0.00 MOL1 H ATOM 889 N MET A 173 54.087 26.602 115.700 1.00 44.19 MOL1 N ATOM 890 CA MET A 173 54.834 27.804 115.426 1.00 43.49 MOL1 C ATOM 891 C MET A 173 55.241 28.385 116.750 1.00 43.25 MOL1 C ATOM 892 O MET A 173 54.750 27.976 117.809 1.00 44.63 MOL1 O ATOM 893 CB MET A 173 54.046 28.862 114.712 1.00 43.86 MOL1 C ATOM 894 CG MET A 173 52.902 29.585 115.392 1.00 46.95 MOL1 C ATOM 895 SD MET A 173 52.147 30.878 114.331 1.00 49.52 MOL1 S ATOM 896 CE MET A 173 50.890 29.953 113.482 1.00 47.60 MOL1 C ATOM 897 H MET A 173 53.887 26.378 116.634 1.00 0.00 MOL1 H ATOM 898 N ILE A 174 56.144 29.336 116.683 1.00 42.16 MOL1 N ATOM 899 CA ILE A 174 56.687 30.014 117.834 1.00 40.71 MOL1 C ATOM 900 C ILE A 174 56.392 31.429 117.474 1.00 42.21 MOL1 C ATOM 901 O ILE A 174 56.276 31.748 116.294 1.00 43.49 MOL1 O ATOM 902 CB ILE A 174 58.201 29.785 117.943 1.00 38.16 MOL1 C ATOM 903 CG1 ILE A 174 58.395 28.305 118.183 1.00 36.49 MOL1 C ATOM 904 CG2 ILE A 174 58.847 30.599 119.068 1.00 37.28 MOL1 C ATOM 905 CD1 ILE A 174 59.827 27.836 118.328 1.00 34.03 MOL1 C ATOM 906 H ILE A 174 56.422 29.671 115.799 1.00 0.00 MOL1 H ATOM 907 N ARG A 175 56.298 32.313 118.427 1.00 44.17 MOL1 N ATOM 908 CA ARG A 175 55.865 33.645 118.091 1.00 48.30 MOL1 C ATOM 909 C ARG A 175 56.215 34.553 119.230 1.00 50.32 MOL1 C ATOM 910 O ARG A 175 56.849 34.127 120.202 1.00 50.16 MOL1 O ATOM 911 CB ARG A 175 54.345 33.664 117.862 1.00 50.73 MOL1 C ATOM 912 CG ARG A 175 53.522 33.472 119.130 1.00 52.40 MOL1 C ATOM 913 CD ARG A 175 52.220 32.858 118.689 1.00 53.83 MOL1 C ATOM 914 NE ARG A 175 51.558 32.244 119.820 1.00 54.98 MOL1 N ATOM 915 CZ ARG A 175 51.055 32.953 120.850 1.00 57.34 MOL1 C ATOM 916 NH1 ARG A 175 51.130 34.290 120.938 1.00 57.24 MOL1 N ATOM 917 NH2 ARG A 175 50.413 32.302 121.811 1.00 56.78 MOL1 N ATOM 918 H ARG A 175 56.529 32.087 119.355 1.00 0.00 MOL1 H ATOM 919 HE ARG A 175 51.538 31.272 119.860 1.00 0.00 MOL1 H ATOM 920 1HH1 ARG A 175 51.593 34.824 120.231 1.00 0.00 MOL1 H ATOM 921 2HH1 ARG A 175 50.755 34.753 121.741 1.00 0.00 MOL1 H ATOM 922 1HH2 ARG A 175 50.312 31.310 121.743 1.00 0.00 MOL1 H ATOM 923 2HH2 ARG A 175 50.050 32.801 122.597 1.00 0.00 MOL1 H ATOM 924 N ASP A 176 55.719 35.774 119.031 1.00 52.42 MOL1 N ATOM 925 CA ASP A 176 55.823 36.883 119.951 1.00 53.11 MOL1 C ATOM 926 C ASP A 176 54.698 36.934 120.957 1.00 50.47 MOL1 C ATOM 927 O ASP A 176 53.562 37.229 120.586 1.00 49.75 MOL1 O ATOM 928 CB ASP A 176 55.847 38.190 119.161 1.00 56.62 MOL1 C ATOM 929 CG ASP A 176 57.249 38.666 118.791 1.00 59.94 MOL1 C ATOM 930 OD1 ASP A 176 58.251 38.060 119.202 1.00 60.49 MOL1 O ATOM 931 OD2 ASP A 176 57.312 39.679 118.091 1.00 61.82 MOL1 O ATOM 932 H ASP A 176 55.220 35.949 118.202 1.00 0.00 MOL1 H ATOM 933 N SER A 177 55.065 36.637 122.218 1.00 46.92 MOL1 N ATOM 934 CA SER A 177 54.130 36.661 123.310 1.00 43.73 MOL1 C ATOM 935 C SER A 177 53.526 38.041 123.333 1.00 44.38 MOL1 C ATOM 936 O SER A 177 54.224 39.046 123.252 1.00 44.39 MOL1 O ATOM 937 CB SER A 177 54.806 36.432 124.626 1.00 40.96 MOL1 C ATOM 938 OG SER A 177 55.318 35.130 124.750 1.00 36.20 MOL1 O ATOM 939 H SER A 177 56.013 36.482 122.423 1.00 0.00 MOL1 H ATOM 940 HG SER A 177 55.451 34.988 125.697 1.00 0.00 MOL1 H ATOM 941 N GLU A 178 52.222 38.116 123.287 1.00 45.67 MOL1 N ATOM 942 CA GLU A 178 51.590 39.401 123.385 1.00 48.61 MOL1 C ATOM 943 C GLU A 178 51.347 39.786 124.834 1.00 50.58 MOL1 C ATOM 944 O GLU A 178 51.019 40.952 125.048 1.00 51.25 MOL1 O ATOM 945 CB GLU A 178 50.281 39.408 122.622 1.00 48.61 MOL1 C ATOM 946 CG GLU A 178 49.461 38.206 122.995 1.00 51.54 MOL1 C ATOM 947 CD GLU A 178 47.977 38.367 122.827 1.00 54.63 MOL1 C ATOM 948 OE1 GLU A 178 47.561 39.345 122.201 1.00 55.91 MOL1 O ATOM 949 OE2 GLU A 178 47.254 37.509 123.347 1.00 55.00 MOL1 O ATOM 950 H GLU A 178 51.751 37.314 122.997 1.00 0.00 MOL1 H ATOM 951 N THR A 179 51.434 38.926 125.862 1.00 52.52 MOL1 N ATOM 952 CA THR A 179 51.269 39.415 127.220 1.00 54.23 MOL1 C ATOM 953 C THR A 179 52.622 39.716 127.844 1.00 57.37 MOL1 C ATOM 954 O THR A 179 52.943 40.881 128.151 1.00 58.49 MOL1 O ATOM 955 CB THR A 179 50.506 38.391 128.053 1.00 52.70 MOL1 C ATOM 956 OG1 THR A 179 50.981 37.065 127.830 1.00 50.70 MOL1 O ATOM 957 CG2 THR A 179 49.052 38.541 127.710 1.00 52.99 MOL1 C ATOM 958 H THR A 179 51.585 37.969 125.725 1.00 0.00 MOL1 H ATOM 959 HG1 THR A 179 50.528 36.520 128.495 1.00 0.00 MOL1 H ATOM 960 N THR A 180 53.458 38.685 128.023 1.00 59.10 MOL1 N ATOM 961 CA THR A 180 54.767 38.963 128.577 1.00 62.72 MOL1 C ATOM 962 C THR A 180 55.700 39.410 127.433 1.00 63.04 MOL1 C ATOM 963 O THR A 180 56.334 38.594 126.750 1.00 63.83 MOL1 O ATOM 964 CB THR A 180 55.245 37.677 129.322 1.00 63.41 MOL1 C ATOM 965 OG1 THR A 180 55.088 36.616 128.391 1.00 64.99 MOL1 O ATOM 966 CG2 THR A 180 54.505 37.427 130.651 1.00 63.13 MOL1 C ATOM 967 H THR A 180 53.215 37.759 127.798 1.00 0.00 MOL1 H ATOM 968 HG1 THR A 180 55.782 36.733 127.727 1.00 0.00 MOL1 H ATOM 969 N LYS A 181 55.748 40.721 127.178 1.00 62.61 MOL1 N ATOM 970 CA LYS A 181 56.531 41.289 126.094 1.00 63.51 MOL1 C ATOM 971 C LYS A 181 58.046 41.002 126.043 1.00 63.21 MOL1 C ATOM 972 O LYS A 181 58.639 40.504 127.006 1.00 63.98 MOL1 O ATOM 973 CB LYS A 181 56.237 42.789 126.101 1.00 65.42 MOL1 C ATOM 974 CG LYS A 181 54.732 43.132 125.902 1.00 69.34 MOL1 C ATOM 975 CD LYS A 181 53.965 42.419 124.737 1.00 73.73 MOL1 C ATOM 976 CE LYS A 181 54.439 42.556 123.244 1.00 75.02 MOL1 C ATOM 977 NZ LYS A 181 53.691 41.761 122.258 1.00 73.03 MOL1 N ATOM 978 H LYS A 181 55.193 41.302 127.742 1.00 0.00 MOL1 H ATOM 979 1HZ LYS A 181 52.684 42.015 122.292 1.00 0.00 MOL1 H ATOM 980 2HZ LYS A 181 54.066 41.963 121.310 1.00 0.00 MOL1 H ATOM 981 3HZ LYS A 181 53.799 40.746 122.453 1.00 0.00 MOL1 H ATOM 982 N GLY A 182 58.709 41.181 124.885 1.00 61.27 MOL1 N ATOM 983 CA GLY A 182 60.105 40.810 124.720 1.00 58.58 MOL1 C ATOM 984 C GLY A 182 60.323 39.298 124.804 1.00 57.73 MOL1 C ATOM 985 O GLY A 182 61.413 38.823 124.518 1.00 57.22 MOL1 O ATOM 986 H GLY A 182 58.228 41.525 124.109 1.00 0.00 MOL1 H ATOM 987 N SER A 183 59.322 38.490 125.126 1.00 57.47 MOL1 N ATOM 988 CA SER A 183 59.480 37.059 125.348 1.00 58.13 MOL1 C ATOM 989 C SER A 183 58.747 36.269 124.256 1.00 56.42 MOL1 C ATOM 990 O SER A 183 58.140 36.900 123.367 1.00 55.03 MOL1 O ATOM 991 CB SER A 183 58.924 36.735 126.745 1.00 59.54 MOL1 C ATOM 992 OG SER A 183 59.289 37.735 127.698 1.00 61.65 MOL1 O ATOM 993 H SER A 183 58.407 38.824 125.138 1.00 0.00 MOL1 H ATOM 994 HG SER A 183 59.098 38.629 127.376 1.00 0.00 MOL1 H ATOM 995 N TYR A 184 58.757 34.922 124.282 1.00 55.12 MOL1 N ATOM 996 CA TYR A 184 58.196 34.106 123.204 1.00 54.86 MOL1 C ATOM 997 C TYR A 184 57.219 33.016 123.698 1.00 52.13 MOL1 C ATOM 998 O TYR A 184 57.202 32.692 124.891 1.00 52.93 MOL1 O ATOM 999 CB TYR A 184 59.409 33.517 122.386 1.00 59.79 MOL1 C ATOM 1000 CG TYR A 184 60.350 34.629 121.857 1.00 64.80 MOL1 C ATOM 1001 CD1 TYR A 184 59.767 35.787 121.296 1.00 67.94 MOL1 C ATOM 1002 CD2 TYR A 184 61.746 34.606 122.032 1.00 65.57 MOL1 C ATOM 1003 CE1 TYR A 184 60.528 36.901 120.941 1.00 69.01 MOL1 C ATOM 1004 CE2 TYR A 184 62.520 35.725 121.667 1.00 67.63 MOL1 C ATOM 1005 CZ TYR A 184 61.904 36.874 121.131 1.00 69.09 MOL1 C ATOM 1006 OH TYR A 184 62.620 38.019 120.777 1.00 71.25 MOL1 O ATOM 1007 H TYR A 184 59.043 34.457 125.092 1.00 0.00 MOL1 H ATOM 1008 HH TYR A 184 62.019 38.713 120.495 1.00 0.00 MOL1 H ATOM 1009 N SER A 185 56.362 32.462 122.831 1.00 47.35 MOL1 N ATOM 1010 CA SER A 185 55.283 31.556 123.209 1.00 42.44 MOL1 C ATOM 1011 C SER A 185 55.161 30.460 122.172 1.00 40.29 MOL1 C ATOM 1012 O SER A 185 55.706 30.628 121.082 1.00 41.34 MOL1 O ATOM 1013 CB SER A 185 53.960 32.331 123.285 1.00 41.22 MOL1 C ATOM 1014 OG SER A 185 53.717 33.172 124.413 1.00 38.50 MOL1 O ATOM 1015 H SER A 185 56.477 32.659 121.880 1.00 0.00 MOL1 H ATOM 1016 HG SER A 185 54.581 33.538 124.606 1.00 0.00 MOL1 H ATOM 1017 N LEU A 186 54.457 29.363 122.385 1.00 37.40 MOL1 N ATOM 1018 CA LEU A 186 54.410 28.279 121.426 1.00 36.27 MOL1 C ATOM 1019 C LEU A 186 53.004 27.808 121.179 1.00 35.73 MOL1 C ATOM 1020 O LEU A 186 52.293 27.440 122.111 1.00 35.57 MOL1 O ATOM 1021 CB LEU A 186 55.178 27.082 121.915 1.00 36.57 MOL1 C ATOM 1022 CG LEU A 186 54.955 25.779 121.152 1.00 35.84 MOL1 C ATOM 1023 CD1 LEU A 186 55.905 25.675 119.983 1.00 35.46 MOL1 C ATOM 1024 CD2 LEU A 186 55.135 24.636 122.120 1.00 36.22 MOL1 C ATOM 1025 H LEU A 186 53.947 29.286 123.217 1.00 0.00 MOL1 H ATOM 1026 N SER A 187 52.617 27.698 119.936 1.00 35.81 MOL1 N ATOM 1027 CA SER A 187 51.266 27.280 119.635 1.00 36.59 MOL1 C ATOM 1028 C SER A 187 51.317 25.938 118.923 1.00 37.96 MOL1 C ATOM 1029 O SER A 187 52.032 25.782 117.918 1.00 38.11 MOL1 O ATOM 1030 CB SER A 187 50.618 28.373 118.776 1.00 35.45 MOL1 C ATOM 1031 OG SER A 187 50.633 29.673 119.397 1.00 32.74 MOL1 O ATOM 1032 H SER A 187 53.267 27.788 119.207 1.00 0.00 MOL1 H ATOM 1033 HG SER A 187 51.135 30.234 118.788 1.00 0.00 MOL1 H ATOM 1034 N VAL A 188 50.548 24.979 119.457 1.00 39.22 MOL1 N ATOM 1035 CA VAL A 188 50.539 23.606 118.974 1.00 39.33 MOL1 C ATOM 1036 C VAL A 188 49.111 23.195 118.708 1.00 40.60 MOL1 C ATOM 1037 O VAL A 188 48.239 23.465 119.545 1.00 39.69 MOL1 O ATOM 1038 CB VAL A 188 51.109 22.647 120.003 1.00 38.58 MOL1 C ATOM 1039 CG1 VAL A 188 51.611 21.411 119.306 1.00 38.88 MOL1 C ATOM 1040 CG2 VAL A 188 52.255 23.286 120.753 1.00 40.70 MOL1 C ATOM 1041 H VAL A 188 49.916 25.206 120.168 1.00 0.00 MOL1 H ATOM 1042 N ARG A 189 48.901 22.618 117.517 1.00 43.37 MOL1 N ATOM 1043 CA ARG A 189 47.608 22.100 117.093 1.00 47.10 MOL1 C ATOM 1044 C ARG A 189 47.367 20.752 117.802 1.00 51.11 MOL1 C ATOM 1045 O ARG A 189 48.289 19.936 117.887 1.00 51.65 MOL1 O ATOM 1046 CB ARG A 189 47.575 21.902 115.559 1.00 43.63 MOL1 C ATOM 1047 CG ARG A 189 46.102 21.906 115.157 1.00 41.43 MOL1 C ATOM 1048 CD ARG A 189 45.741 21.212 113.842 1.00 41.02 MOL1 C ATOM 1049 NE ARG A 189 45.362 22.142 112.784 1.00 39.66 MOL1 N ATOM 1050 CZ ARG A 189 44.909 21.771 111.582 1.00 37.89 MOL1 C ATOM 1051 NH1 ARG A 189 44.772 20.491 111.259 1.00 38.16 MOL1 N ATOM 1052 NH2 ARG A 189 44.639 22.702 110.664 1.00 36.49 MOL1 N ATOM 1053 H ARG A 189 49.669 22.545 116.909 1.00 0.00 MOL1 H ATOM 1054 HE ARG A 189 45.498 23.100 112.940 1.00 0.00 MOL1 H ATOM 1055 1HH1 ARG A 189 45.032 19.777 111.906 1.00 0.00 MOL1 H ATOM 1056 2HH1 ARG A 189 44.445 20.245 110.347 1.00 0.00 MOL1 H ATOM 1057 1HH2 ARG A 189 44.791 23.665 110.879 1.00 0.00 MOL1 H ATOM 1058 2HH2 ARG A 189 44.311 22.446 109.757 1.00 0.00 MOL1 H ATOM 1059 N ASP A 190 46.159 20.464 118.288 1.00 54.95 MOL1 N ATOM 1060 CA ASP A 190 45.813 19.267 119.029 1.00 59.46 MOL1 C ATOM 1061 C ASP A 190 44.349 18.938 118.690 1.00 64.29 MOL1 C ATOM 1062 O ASP A 190 43.816 19.615 117.815 1.00 64.63 MOL1 O ATOM 1063 CB ASP A 190 46.041 19.597 120.520 1.00 56.60 MOL1 C ATOM 1064 CG ASP A 190 45.678 18.516 121.549 1.00 56.49 MOL1 C ATOM 1065 OD1 ASP A 190 46.039 17.347 121.396 1.00 55.89 MOL1 O ATOM 1066 OD2 ASP A 190 45.018 18.848 122.529 1.00 54.91 MOL1 O ATOM 1067 H ASP A 190 45.430 21.068 118.057 1.00 0.00 MOL1 H ATOM 1068 N TYR A 191 43.651 17.922 119.244 1.00 71.59 MOL1 N ATOM 1069 CA TYR A 191 42.201 17.645 119.095 1.00 78.55 MOL1 C ATOM 1070 C TYR A 191 41.750 17.207 120.498 1.00 81.34 MOL1 C ATOM 1071 O TYR A 191 42.484 16.443 121.145 1.00 81.15 MOL1 O ATOM 1072 CB TYR A 191 41.918 16.494 118.082 1.00 82.49 MOL1 C ATOM 1073 CG TYR A 191 40.477 15.973 117.825 1.00 87.92 MOL1 C ATOM 1074 CD1 TYR A 191 39.463 16.001 118.809 1.00 90.03 MOL1 C ATOM 1075 CD2 TYR A 191 40.171 15.395 116.574 1.00 89.26 MOL1 C ATOM 1076 CE1 TYR A 191 38.190 15.473 118.578 1.00 92.96 MOL1 C ATOM 1077 CE2 TYR A 191 38.891 14.858 116.327 1.00 92.37 MOL1 C ATOM 1078 CZ TYR A 191 37.899 14.898 117.336 1.00 94.28 MOL1 C ATOM 1079 OH TYR A 191 36.618 14.377 117.128 1.00 95.33 MOL1 O ATOM 1080 H TYR A 191 44.114 17.302 119.844 1.00 0.00 MOL1 H ATOM 1081 HH TYR A 191 36.028 14.727 117.811 1.00 0.00 MOL1 H ATOM 1082 N ASP A 192 40.577 17.662 120.993 1.00 85.36 MOL1 N ATOM 1083 CA ASP A 192 40.076 17.316 122.341 1.00 89.57 MOL1 C ATOM 1084 C ASP A 192 38.547 17.203 122.523 1.00 91.52 MOL1 C ATOM 1085 O ASP A 192 37.856 18.174 122.866 1.00 90.57 MOL1 O ATOM 1086 CB ASP A 192 40.574 18.338 123.406 1.00 89.64 MOL1 C ATOM 1087 H ASP A 192 40.008 18.227 120.422 1.00 0.00 MOL1 H ATOM 1088 N PRO A 193 38.014 15.958 122.490 1.00 93.85 MOL1 N ATOM 1089 CA PRO A 193 36.910 15.486 121.626 1.00 94.67 MOL1 C ATOM 1090 C PRO A 193 35.617 16.292 121.502 1.00 94.74 MOL1 C ATOM 1091 O PRO A 193 34.917 16.237 120.487 1.00 92.99 MOL1 O ATOM 1092 CB PRO A 193 36.642 14.072 122.125 1.00 95.43 MOL1 C ATOM 1093 CG PRO A 193 36.965 14.152 123.603 1.00 95.66 MOL1 C ATOM 1094 CD PRO A 193 38.259 14.972 123.551 1.00 94.58 MOL1 C ATOM 1095 N ARG A 194 35.327 17.068 122.561 1.00 95.50 MOL1 N ATOM 1096 CA ARG A 194 34.151 17.936 122.708 1.00 94.96 MOL1 C ATOM 1097 C ARG A 194 34.371 19.299 122.014 1.00 93.67 MOL1 C ATOM 1098 O ARG A 194 33.921 20.362 122.462 1.00 94.44 MOL1 O ATOM 1099 CB ARG A 194 33.878 18.148 124.221 1.00 93.91 MOL1 C ATOM 1100 H ARG A 194 36.025 17.177 123.238 1.00 0.00 MOL1 H ATOM 1101 N GLN A 195 35.078 19.232 120.886 1.00 90.71 MOL1 N ATOM 1102 CA GLN A 195 35.493 20.321 120.028 1.00 87.12 MOL1 C ATOM 1103 C GLN A 195 36.327 19.577 118.989 1.00 84.67 MOL1 C ATOM 1104 O GLN A 195 36.890 18.508 119.278 1.00 84.84 MOL1 O ATOM 1105 CB GLN A 195 36.398 21.313 120.759 1.00 87.60 MOL1 C ATOM 1106 H GLN A 195 35.365 18.349 120.582 1.00 0.00 MOL1 H ATOM 1107 N GLY A 196 36.363 20.085 117.760 1.00 81.37 MOL1 N ATOM 1108 CA GLY A 196 37.140 19.459 116.710 1.00 78.01 MOL1 C ATOM 1109 C GLY A 196 38.631 19.672 116.942 1.00 75.65 MOL1 C ATOM 1110 O GLY A 196 39.166 19.481 118.042 1.00 75.43 MOL1 O ATOM 1111 H GLY A 196 35.922 20.938 117.597 1.00 0.00 MOL1 H ATOM 1112 N ASP A 197 39.334 20.083 115.890 1.00 72.76 MOL1 N ATOM 1113 CA ASP A 197 40.755 20.347 116.035 1.00 69.90 MOL1 C ATOM 1114 C ASP A 197 40.889 21.570 116.950 1.00 67.16 MOL1 C ATOM 1115 O ASP A 197 39.976 22.403 116.989 1.00 66.82 MOL1 O ATOM 1116 CB ASP A 197 41.372 20.630 114.662 1.00 71.21 MOL1 C ATOM 1117 CG ASP A 197 41.179 19.507 113.661 1.00 71.34 MOL1 C ATOM 1118 OD1 ASP A 197 41.767 18.435 113.840 1.00 72.16 MOL1 O ATOM 1119 OD2 ASP A 197 40.437 19.730 112.708 1.00 70.05 MOL1 O ATOM 1120 H ASP A 197 38.880 20.343 115.066 1.00 0.00 MOL1 H ATOM 1121 N THR A 198 41.968 21.706 117.709 1.00 63.79 MOL1 N ATOM 1122 CA THR A 198 42.142 22.855 118.565 1.00 60.63 MOL1 C ATOM 1123 C THR A 198 43.605 23.305 118.689 1.00 58.87 MOL1 C ATOM 1124 O THR A 198 44.516 22.666 118.150 1.00 58.27 MOL1 O ATOM 1125 CB THR A 198 41.529 22.508 119.911 1.00 59.83 MOL1 C ATOM 1126 OG1 THR A 198 41.502 23.778 120.570 1.00 61.20 MOL1 O ATOM 1127 CG2 THR A 198 42.235 21.396 120.678 1.00 56.55 MOL1 C ATOM 1128 H THR A 198 42.710 21.081 117.611 1.00 0.00 MOL1 H ATOM 1129 HG1 THR A 198 40.784 23.777 121.212 1.00 0.00 MOL1 H ATOM 1130 N VAL A 199 43.862 24.429 119.363 1.00 56.28 MOL1 N ATOM 1131 CA VAL A 199 45.198 24.954 119.504 1.00 52.84 MOL1 C ATOM 1132 C VAL A 199 45.392 25.289 120.965 1.00 51.94 MOL1 C ATOM 1133 O VAL A 199 44.567 25.962 121.602 1.00 51.34 MOL1 O ATOM 1134 CB VAL A 199 45.425 26.236 118.705 1.00 52.07 MOL1 C ATOM 1135 CG1 VAL A 199 46.887 26.626 118.879 1.00 52.74 MOL1 C ATOM 1136 CG2 VAL A 199 45.117 26.052 117.238 1.00 49.22 MOL1 C ATOM 1137 H VAL A 199 43.140 24.844 119.879 1.00 0.00 MOL1 H ATOM 1138 N LYS A 200 46.535 24.777 121.414 1.00 50.26 MOL1 N ATOM 1139 CA LYS A 200 47.064 24.976 122.734 1.00 49.52 MOL1 C ATOM 1140 C LYS A 200 48.269 25.863 122.607 1.00 48.97 MOL1 C ATOM 1141 O LYS A 200 48.858 25.980 121.534 1.00 49.76 MOL1 O ATOM 1142 CB LYS A 200 47.465 23.672 123.329 1.00 50.68 MOL1 C ATOM 1143 CG LYS A 200 46.174 23.081 123.808 1.00 56.14 MOL1 C ATOM 1144 CD LYS A 200 46.235 21.771 124.559 1.00 60.54 MOL1 C ATOM 1145 CE LYS A 200 44.766 21.415 124.855 1.00 63.92 MOL1 C ATOM 1146 NZ LYS A 200 44.635 20.078 125.416 1.00 67.94 MOL1 N ATOM 1147 H LYS A 200 47.064 24.235 120.794 1.00 0.00 MOL1 H ATOM 1148 1HZ LYS A 200 45.168 19.993 126.305 1.00 0.00 MOL1 H ATOM 1149 2HZ LYS A 200 43.629 19.866 125.583 1.00 0.00 MOL1 H ATOM 1150 3HZ LYS A 200 45.012 19.397 124.724 1.00 0.00 MOL1 H ATOM 1151 N HIS A 201 48.600 26.554 123.683 1.00 47.69 MOL1 N ATOM 1152 CA HIS A 201 49.724 27.447 123.679 1.00 47.33 MOL1 C ATOM 1153 C HIS A 201 50.541 27.194 124.915 1.00 49.24 MOL1 C ATOM 1154 O HIS A 201 50.004 26.889 125.990 1.00 50.84 MOL1 O ATOM 1155 CB HIS A 201 49.312 28.864 123.735 1.00 46.35 MOL1 C ATOM 1156 CG HIS A 201 48.408 29.326 122.618 1.00 47.36 MOL1 C ATOM 1157 ND1 HIS A 201 48.686 29.628 121.353 1.00 48.47 MOL1 N ATOM 1158 CD2 HIS A 201 47.077 29.569 122.811 1.00 47.94 MOL1 C ATOM 1159 CE1 HIS A 201 47.586 30.044 120.778 1.00 49.18 MOL1 C ATOM 1160 NE2 HIS A 201 46.625 30.006 121.667 1.00 48.61 MOL1 N ATOM 1161 H HIS A 201 48.134 26.380 124.531 1.00 0.00 MOL1 H ATOM 1162 HD1 HIS A 201 49.576 29.645 120.925 1.00 0.00 MOL1 H ATOM 1163 HE2 HIS A 201 45.700 30.291 121.512 1.00 0.00 MOL1 H ATOM 1164 N TYR A 202 51.845 27.321 124.813 1.00 50.56 MOL1 N ATOM 1165 CA TYR A 202 52.738 27.044 125.920 1.00 51.66 MOL1 C ATOM 1166 C TYR A 202 53.627 28.242 126.028 1.00 51.51 MOL1 C ATOM 1167 O TYR A 202 54.010 28.864 125.025 1.00 51.03 MOL1 O ATOM 1168 CB TYR A 202 53.604 25.856 125.649 1.00 52.71 MOL1 C ATOM 1169 CG TYR A 202 52.744 24.631 125.569 1.00 54.21 MOL1 C ATOM 1170 CD1 TYR A 202 52.036 24.272 124.415 1.00 53.81 MOL1 C ATOM 1171 CD2 TYR A 202 52.688 23.860 126.715 1.00 56.74 MOL1 C ATOM 1172 CE1 TYR A 202 51.263 23.109 124.430 1.00 56.32 MOL1 C ATOM 1173 CE2 TYR A 202 51.914 22.697 126.735 1.00 58.61 MOL1 C ATOM 1174 CZ TYR A 202 51.205 22.321 125.598 1.00 58.16 MOL1 C ATOM 1175 OH TYR A 202 50.438 21.159 125.690 1.00 59.67 MOL1 O ATOM 1176 H TYR A 202 52.255 27.652 123.987 1.00 0.00 MOL1 H ATOM 1177 HH TYR A 202 50.163 21.042 126.613 1.00 0.00 MOL1 H ATOM 1178 N LYS A 203 53.943 28.564 127.265 1.00 51.23 MOL1 N ATOM 1179 CA LYS A 203 54.708 29.761 127.485 1.00 50.06 MOL1 C ATOM 1180 C LYS A 203 56.147 29.314 127.416 1.00 52.64 MOL1 C ATOM 1181 O LYS A 203 56.448 28.164 127.751 1.00 52.28 MOL1 O ATOM 1182 CB LYS A 203 54.349 30.307 128.836 1.00 45.61 MOL1 C ATOM 1183 CG LYS A 203 54.570 31.772 128.801 1.00 39.53 MOL1 C ATOM 1184 CD LYS A 203 53.316 32.489 128.503 1.00 32.50 MOL1 C ATOM 1185 CE LYS A 203 53.898 33.872 128.461 1.00 32.92 MOL1 C ATOM 1186 NZ LYS A 203 52.927 34.937 128.580 1.00 31.12 MOL1 N ATOM 1187 H LYS A 203 53.802 27.948 128.016 1.00 0.00 MOL1 H ATOM 1188 1HZ LYS A 203 52.414 34.829 129.475 1.00 0.00 MOL1 H ATOM 1189 2HZ LYS A 203 53.401 35.860 128.573 1.00 0.00 MOL1 H ATOM 1190 3HZ LYS A 203 52.258 34.884 127.788 1.00 0.00 MOL1 H ATOM 1191 N ILE A 204 56.993 30.206 126.899 1.00 56.67 MOL1 N ATOM 1192 CA ILE A 204 58.423 29.973 126.748 1.00 57.79 MOL1 C ATOM 1193 C ILE A 204 58.946 31.158 127.521 1.00 60.76 MOL1 C ATOM 1194 O ILE A 204 58.478 32.304 127.400 1.00 59.42 MOL1 O ATOM 1195 CB ILE A 204 58.885 30.045 125.263 1.00 54.63 MOL1 C ATOM 1196 CG1 ILE A 204 58.289 28.923 124.407 1.00 50.81 MOL1 C ATOM 1197 CG2 ILE A 204 60.389 29.965 125.260 1.00 54.39 MOL1 C ATOM 1198 CD1 ILE A 204 58.390 29.084 122.903 1.00 46.86 MOL1 C ATOM 1199 H ILE A 204 56.686 31.104 126.649 1.00 0.00 MOL1 H ATOM 1200 N ARG A 205 59.838 30.776 128.427 1.00 66.20 MOL1 N ATOM 1201 CA ARG A 205 60.483 31.726 129.320 1.00 70.99 MOL1 C ATOM 1202 C ARG A 205 62.015 31.676 129.122 1.00 74.37 MOL1 C ATOM 1203 O ARG A 205 62.641 30.648 128.794 1.00 72.94 MOL1 O ATOM 1204 CB ARG A 205 60.067 31.405 130.793 1.00 70.61 MOL1 C ATOM 1205 CG ARG A 205 58.875 32.102 131.526 1.00 69.23 MOL1 C ATOM 1206 CD ARG A 205 57.370 31.806 131.355 1.00 67.63 MOL1 C ATOM 1207 NE ARG A 205 56.869 30.497 131.811 1.00 67.61 MOL1 N ATOM 1208 CZ ARG A 205 55.659 30.354 132.408 1.00 67.12 MOL1 C ATOM 1209 NH1 ARG A 205 54.879 31.417 132.636 1.00 65.73 MOL1 N ATOM 1210 NH2 ARG A 205 55.139 29.141 132.681 1.00 65.59 MOL1 N ATOM 1211 H ARG A 205 60.088 29.827 128.475 1.00 0.00 MOL1 H ATOM 1212 HE ARG A 205 57.421 29.699 131.677 1.00 0.00 MOL1 H ATOM 1213 1HH1 ARG A 205 55.187 32.329 132.371 1.00 0.00 MOL1 H ATOM 1214 2HH1 ARG A 205 53.987 31.302 133.069 1.00 0.00 MOL1 H ATOM 1215 1HH2 ARG A 205 55.641 28.310 132.453 1.00 0.00 MOL1 H ATOM 1216 2HH2 ARG A 205 54.241 29.083 133.116 1.00 0.00 MOL1 H ATOM 1217 N THR A 206 62.561 32.883 129.307 1.00 79.11 MOL1 N ATOM 1218 CA THR A 206 63.944 33.296 129.044 1.00 84.65 MOL1 C ATOM 1219 C THR A 206 64.520 34.086 130.262 1.00 88.40 MOL1 C ATOM 1220 O THR A 206 63.831 34.991 130.741 1.00 89.03 MOL1 O ATOM 1221 CB THR A 206 63.884 34.173 127.715 1.00 84.71 MOL1 C ATOM 1222 OG1 THR A 206 63.237 33.339 126.750 1.00 85.27 MOL1 O ATOM 1223 CG2 THR A 206 65.230 34.671 127.178 1.00 84.19 MOL1 C ATOM 1224 H THR A 206 61.999 33.607 129.656 1.00 0.00 MOL1 H ATOM 1225 HG1 THR A 206 63.653 32.472 126.752 1.00 0.00 MOL1 H ATOM 1226 N LEU A 207 65.733 33.820 130.820 1.00 92.48 MOL1 N ATOM 1227 CA LEU A 207 66.372 34.564 131.948 1.00 95.61 MOL1 C ATOM 1228 C LEU A 207 67.494 35.619 131.632 1.00 97.08 MOL1 C ATOM 1229 O LEU A 207 67.373 36.838 131.840 1.00 96.04 MOL1 O ATOM 1230 CB LEU A 207 66.942 33.501 132.954 1.00 96.09 MOL1 C ATOM 1231 CG LEU A 207 67.743 33.875 134.230 1.00 95.94 MOL1 C ATOM 1232 CD1 LEU A 207 66.799 34.348 135.334 1.00 95.53 MOL1 C ATOM 1233 CD2 LEU A 207 68.537 32.661 134.698 1.00 95.73 MOL1 C ATOM 1234 H LEU A 207 66.233 33.073 130.436 1.00 0.00 MOL1 H ATOM 1235 N ASP A 208 68.636 35.100 131.133 1.00 98.73 MOL1 N ATOM 1236 CA ASP A 208 69.876 35.819 130.824 1.00 99.51 MOL1 C ATOM 1237 C ASP A 208 70.515 35.059 129.638 1.00100.00 MOL1 C ATOM 1238 O ASP A 208 69.834 34.192 129.061 1.00100.00 MOL1 O ATOM 1239 CB ASP A 208 70.774 35.777 132.069 1.00 99.27 MOL1 C ATOM 1240 CG ASP A 208 71.794 36.893 132.201 1.00 99.14 MOL1 C ATOM 1241 OD1 ASP A 208 71.703 37.880 131.475 1.00100.00 MOL1 O ATOM 1242 OD2 ASP A 208 72.673 36.775 133.053 1.00 99.68 MOL1 O ATOM 1243 H ASP A 208 68.613 34.164 130.850 1.00 0.00 MOL1 H ATOM 1244 N ASN A 209 71.785 35.223 129.230 1.00100.00 MOL1 N ATOM 1245 CA ASN A 209 72.319 34.482 128.074 1.00 99.62 MOL1 C ATOM 1246 C ASN A 209 72.607 32.953 128.200 1.00 99.38 MOL1 C ATOM 1247 O ASN A 209 73.582 32.456 127.623 1.00 99.03 MOL1 O ATOM 1248 CB ASN A 209 73.591 35.212 127.622 1.00 98.73 MOL1 C ATOM 1249 H ASN A 209 72.386 35.799 129.749 1.00 0.00 MOL1 H ATOM 1250 N GLY A 210 71.784 32.143 128.907 1.00 98.91 MOL1 N ATOM 1251 CA GLY A 210 71.995 30.694 129.069 1.00 98.08 MOL1 C ATOM 1252 C GLY A 210 71.046 29.760 128.293 1.00 97.45 MOL1 C ATOM 1253 O GLY A 210 71.341 28.586 128.047 1.00 96.05 MOL1 O ATOM 1254 H GLY A 210 70.981 32.549 129.288 1.00 0.00 MOL1 H ATOM 1255 N GLY A 211 69.869 30.254 127.913 1.00 98.25 MOL1 N ATOM 1256 CA GLY A 211 68.861 29.490 127.202 1.00 98.56 MOL1 C ATOM 1257 C GLY A 211 67.447 30.055 127.428 1.00 99.39 MOL1 C ATOM 1258 O GLY A 211 67.254 31.225 127.804 1.00 99.56 MOL1 O ATOM 1259 H GLY A 211 69.604 31.168 128.150 1.00 0.00 MOL1 H ATOM 1260 N PHE A 212 66.448 29.204 127.199 1.00 99.12 MOL1 N ATOM 1261 CA PHE A 212 65.033 29.499 127.340 1.00 98.59 MOL1 C ATOM 1262 C PHE A 212 64.404 28.115 127.510 1.00 98.73 MOL1 C ATOM 1263 O PHE A 212 65.027 27.090 127.159 1.00 98.15 MOL1 O ATOM 1264 CB PHE A 212 64.361 30.120 126.082 1.00 99.79 MOL1 C ATOM 1265 CG PHE A 212 65.186 30.779 124.961 1.00100.00 MOL1 C ATOM 1266 CD1 PHE A 212 65.976 29.976 124.122 1.00100.00 MOL1 C ATOM 1267 CD2 PHE A 212 65.171 32.171 124.755 1.00100.00 MOL1 C ATOM 1268 CE1 PHE A 212 66.743 30.560 123.109 1.00100.00 MOL1 C ATOM 1269 CE2 PHE A 212 65.938 32.750 123.738 1.00100.00 MOL1 C ATOM 1270 CZ PHE A 212 66.730 31.945 122.914 1.00100.00 MOL1 C ATOM 1271 H PHE A 212 66.646 28.290 126.907 1.00 0.00 MOL1 H ATOM 1272 N TYR A 213 63.170 28.001 128.008 1.00 98.97 MOL1 N ATOM 1273 CA TYR A 213 62.544 26.696 128.202 1.00 99.04 MOL1 C ATOM 1274 C TYR A 213 61.027 26.826 128.187 1.00 98.47 MOL1 C ATOM 1275 O TYR A 213 60.459 27.928 128.163 1.00 97.24 MOL1 O ATOM 1276 CB TYR A 213 62.993 26.076 129.566 1.00 99.52 MOL1 C ATOM 1277 CG TYR A 213 62.402 26.715 130.838 1.00100.00 MOL1 C ATOM 1278 CD1 TYR A 213 62.479 28.097 131.083 1.00100.00 MOL1 C ATOM 1279 CD2 TYR A 213 61.701 25.911 131.738 1.00 99.33 MOL1 C ATOM 1280 CE1 TYR A 213 61.848 28.657 132.204 1.00100.00 MOL1 C ATOM 1281 CE2 TYR A 213 61.066 26.456 132.856 1.00100.00 MOL1 C ATOM 1282 CZ TYR A 213 61.130 27.836 133.089 1.00100.00 MOL1 C ATOM 1283 OH TYR A 213 60.433 28.399 134.163 1.00100.00 MOL1 O ATOM 1284 H TYR A 213 62.631 28.795 128.210 1.00 0.00 MOL1 H ATOM 1285 HH TYR A 213 59.729 27.788 134.431 1.00 0.00 MOL1 H ATOM 1286 N ILE A 214 60.416 25.651 128.148 1.00 98.47 MOL1 N ATOM 1287 CA ILE A 214 59.007 25.555 128.441 1.00 99.41 MOL1 C ATOM 1288 C ILE A 214 58.930 24.606 129.642 1.00100.00 MOL1 C ATOM 1289 O ILE A 214 58.475 25.036 130.703 1.00 99.96 MOL1 O ATOM 1290 CB ILE A 214 58.174 25.007 127.252 1.00 99.51 MOL1 C ATOM 1291 CG1 ILE A 214 58.734 23.790 126.552 1.00100.00 MOL1 C ATOM 1292 CG2 ILE A 214 58.108 26.139 126.270 1.00 99.70 MOL1 C ATOM 1293 CD1 ILE A 214 57.657 23.257 125.577 1.00 99.95 MOL1 C ATOM 1294 H ILE A 214 60.935 24.840 127.982 1.00 0.00 MOL1 H ATOM 1295 N SER A 215 59.385 23.342 129.598 1.00100.00 MOL1 N ATOM 1296 CA SER A 215 59.400 22.458 130.773 1.00100.00 MOL1 C ATOM 1297 C SER A 215 60.656 22.745 131.603 1.00100.00 MOL1 C ATOM 1298 O SER A 215 61.624 23.121 130.938 1.00100.00 MOL1 O ATOM 1299 CB SER A 215 59.424 21.015 130.315 1.00 99.67 MOL1 C ATOM 1300 OG SER A 215 58.213 20.669 129.669 1.00100.00 MOL1 O ATOM 1301 H SER A 215 59.778 22.992 128.777 1.00 0.00 MOL1 H ATOM 1302 HG SER A 215 57.650 20.295 130.368 1.00 0.00 MOL1 H ATOM 1303 N PRO A 216 60.845 22.638 132.940 1.00100.00 MOL1 N ATOM 1304 CA PRO A 216 62.151 22.822 133.572 1.00 99.81 MOL1 C ATOM 1305 C PRO A 216 63.042 21.610 133.333 1.00 99.45 MOL1 C ATOM 1306 O PRO A 216 64.270 21.690 133.348 1.00 98.62 MOL1 O ATOM 1307 CB PRO A 216 61.843 23.054 135.037 1.00100.00 MOL1 C ATOM 1308 CG PRO A 216 60.396 23.454 135.050 1.00100.00 MOL1 C ATOM 1309 CD PRO A 216 59.827 22.521 133.975 1.00100.00 MOL1 C ATOM 1310 N ARG A 217 62.420 20.459 133.075 1.00 99.45 MOL1 N ATOM 1311 CA ARG A 217 63.175 19.239 132.865 1.00 99.96 MOL1 C ATOM 1312 C ARG A 217 64.026 19.048 131.599 1.00 99.92 MOL1 C ATOM 1313 O ARG A 217 64.456 17.929 131.299 1.00 99.53 MOL1 O ATOM 1314 CB ARG A 217 62.180 18.095 133.045 1.00100.00 MOL1 C ATOM 1315 CG ARG A 217 60.908 18.027 132.221 1.00100.00 MOL1 C ATOM 1316 CD ARG A 217 60.179 16.863 132.873 1.00100.00 MOL1 C ATOM 1317 NE ARG A 217 59.043 16.383 132.109 1.00100.00 MOL1 N ATOM 1318 CZ ARG A 217 58.436 15.226 132.403 1.00100.00 MOL1 C ATOM 1319 NH1 ARG A 217 58.839 14.433 133.407 1.00 99.74 MOL1 N ATOM 1320 NH2 ARG A 217 57.386 14.866 131.671 1.00100.00 MOL1 N ATOM 1321 H ARG A 217 61.442 20.438 133.077 1.00 0.00 MOL1 H ATOM 1322 HE ARG A 217 58.732 16.906 131.341 1.00 0.00 MOL1 H ATOM 1323 1HH1 ARG A 217 59.634 14.685 133.959 1.00 0.00 MOL1 H ATOM 1324 2HH1 ARG A 217 58.345 13.586 133.599 1.00 0.00 MOL1 H ATOM 1325 1HH2 ARG A 217 57.068 15.471 130.940 1.00 0.00 MOL1 H ATOM 1326 2HH2 ARG A 217 56.885 14.029 131.887 1.00 0.00 MOL1 H ATOM 1327 N SER A 218 64.287 20.115 130.837 1.00100.00 MOL1 N ATOM 1328 CA SER A 218 65.206 20.160 129.697 1.00100.00 MOL1 C ATOM 1329 C SER A 218 65.391 21.670 129.392 1.00 99.78 MOL1 C ATOM 1330 O SER A 218 64.402 22.402 129.518 1.00 99.39 MOL1 O ATOM 1331 CB SER A 218 64.602 19.436 128.465 1.00100.00 MOL1 C ATOM 1332 OG SER A 218 64.185 18.067 128.577 1.00100.00 MOL1 O ATOM 1333 H SER A 218 63.845 20.970 131.030 1.00 0.00 MOL1 H ATOM 1334 HG SER A 218 64.434 17.716 129.447 1.00 0.00 MOL1 H ATOM 1335 N THR A 219 66.555 22.259 129.043 1.00 99.82 MOL1 N ATOM 1336 CA THR A 219 66.657 23.706 128.744 1.00 99.88 MOL1 C ATOM 1337 C THR A 219 67.498 23.916 127.473 1.00100.00 MOL1 C ATOM 1338 O THR A 219 68.410 23.101 127.202 1.00100.00 MOL1 O ATOM 1339 CB THR A 219 67.304 24.470 129.922 1.00 99.03 MOL1 C ATOM 1340 OG1 THR A 219 66.578 24.034 131.064 1.00100.00 MOL1 O ATOM 1341 CG2 THR A 219 67.281 25.997 129.788 1.00 97.20 MOL1 C ATOM 1342 H THR A 219 67.377 21.740 128.934 1.00 0.00 MOL1 H ATOM 1343 HG1 THR A 219 65.630 23.972 130.879 1.00 0.00 MOL1 H ATOM 1344 N PHE A 220 67.176 24.970 126.680 1.00100.00 MOL1 N ATOM 1345 CA PHE A 220 67.781 25.163 125.366 1.00 99.45 MOL1 C ATOM 1346 C PHE A 220 68.160 26.613 125.050 1.00 98.86 MOL1 C ATOM 1347 O PHE A 220 67.362 27.487 125.367 1.00 98.54 MOL1 O ATOM 1348 CB PHE A 220 66.806 24.687 124.270 1.00100.00 MOL1 C ATOM 1349 CG PHE A 220 66.061 23.365 124.486 1.00100.00 MOL1 C ATOM 1350 CD1 PHE A 220 64.830 23.384 125.158 1.00 99.92 MOL1 C ATOM 1351 CD2 PHE A 220 66.588 22.145 124.021 1.00100.00 MOL1 C ATOM 1352 CE1 PHE A 220 64.134 22.189 125.359 1.00 99.95 MOL1 C ATOM 1353 CE2 PHE A 220 65.879 20.954 124.230 1.00100.00 MOL1 C ATOM 1354 CZ PHE A 220 64.658 20.984 124.895 1.00 99.63 MOL1 C ATOM 1355 H PHE A 220 66.501 25.629 126.959 1.00 0.00 MOL1 H ATOM 1356 N SER A 221 69.345 26.947 124.507 1.00 98.53 MOL1 N ATOM 1357 CA SER A 221 69.678 28.282 123.965 1.00 97.29 MOL1 C ATOM 1358 C SER A 221 69.467 28.247 122.430 1.00 95.36 MOL1 C ATOM 1359 O SER A 221 69.087 29.200 121.731 1.00 95.73 MOL1 O ATOM 1360 CB SER A 221 71.142 28.619 124.310 1.00 98.53 MOL1 C ATOM 1361 OG SER A 221 71.976 27.466 124.145 1.00100.00 MOL1 O ATOM 1362 H SER A 221 70.068 26.285 124.494 1.00 0.00 MOL1 H ATOM 1363 HG SER A 221 72.722 27.544 124.753 1.00 0.00 MOL1 H ATOM 1364 N THR A 222 69.727 27.043 121.916 1.00 91.72 MOL1 N ATOM 1365 CA THR A 222 69.521 26.601 120.549 1.00 86.82 MOL1 C ATOM 1366 C THR A 222 68.006 26.551 120.281 1.00 84.41 MOL1 C ATOM 1367 O THR A 222 67.401 25.474 120.333 1.00 82.30 MOL1 O ATOM 1368 CB THR A 222 70.189 25.210 120.444 1.00 86.36 MOL1 C ATOM 1369 OG1 THR A 222 71.100 25.020 121.547 1.00 84.91 MOL1 O ATOM 1370 CG2 THR A 222 70.851 25.075 119.087 1.00 86.46 MOL1 C ATOM 1371 H THR A 222 70.193 26.415 122.504 1.00 0.00 MOL1 H ATOM 1372 HG1 THR A 222 71.588 24.195 121.435 1.00 0.00 MOL1 H ATOM 1373 N LEU A 223 67.343 27.671 119.988 1.00 82.20 MOL1 N ATOM 1374 CA LEU A 223 65.898 27.662 119.826 1.00 81.07 MOL1 C ATOM 1375 C LEU A 223 65.389 26.624 118.846 1.00 80.22 MOL1 C ATOM 1376 O LEU A 223 64.441 25.888 119.098 1.00 78.81 MOL1 O ATOM 1377 CB LEU A 223 65.437 29.053 119.407 1.00 81.58 MOL1 C ATOM 1378 CG LEU A 223 64.470 29.748 120.403 1.00 81.67 MOL1 C ATOM 1379 CD1 LEU A 223 64.169 31.193 119.999 1.00 81.51 MOL1 C ATOM 1380 CD2 LEU A 223 63.185 28.957 120.458 1.00 80.55 MOL1 C ATOM 1381 H LEU A 223 67.836 28.521 120.031 1.00 0.00 MOL1 H ATOM 1382 N GLN A 224 66.147 26.477 117.771 1.00 80.46 MOL1 N ATOM 1383 CA GLN A 224 65.873 25.463 116.771 1.00 80.66 MOL1 C ATOM 1384 C GLN A 224 65.888 24.055 117.390 1.00 79.71 MOL1 C ATOM 1385 O GLN A 224 64.994 23.241 117.179 1.00 79.52 MOL1 O ATOM 1386 CB GLN A 224 66.924 25.624 115.684 1.00 81.37 MOL1 C ATOM 1387 CG GLN A 224 66.899 24.524 114.638 1.00 84.24 MOL1 C ATOM 1388 CD GLN A 224 66.250 24.890 113.310 1.00 86.48 MOL1 C ATOM 1389 OE1 GLN A 224 65.042 24.817 113.113 1.00 87.35 MOL1 O ATOM 1390 NE2 GLN A 224 67.042 25.264 112.313 1.00 87.89 MOL1 N ATOM 1391 H GLN A 224 66.885 27.102 117.640 1.00 0.00 MOL1 H ATOM 1392 1HE2 GLN A 224 66.606 25.523 111.475 1.00 0.00 MOL1 H ATOM 1393 2HE2 GLN A 224 68.010 25.221 112.444 1.00 0.00 MOL1 H ATOM 1394 N GLU A 225 66.832 23.733 118.262 1.00 79.00 MOL1 N ATOM 1395 CA GLU A 225 66.902 22.391 118.847 1.00 77.88 MOL1 C ATOM 1396 C GLU A 225 65.715 22.059 119.746 1.00 76.55 MOL1 C ATOM 1397 O GLU A 225 65.303 20.892 119.877 1.00 74.97 MOL1 O ATOM 1398 CB GLU A 225 68.165 22.231 119.686 1.00 78.75 MOL1 C ATOM 1399 H GLU A 225 67.390 24.445 118.633 1.00 0.00 MOL1 H ATOM 1400 N LEU A 226 65.158 23.143 120.322 1.00 74.63 MOL1 N ATOM 1401 CA LEU A 226 63.997 23.045 121.170 1.00 72.43 MOL1 C ATOM 1402 C LEU A 226 63.004 22.347 120.273 1.00 72.89 MOL1 C ATOM 1403 O LEU A 226 62.650 21.189 120.526 1.00 72.75 MOL1 O ATOM 1404 CB LEU A 226 63.503 24.451 121.582 1.00 70.01 MOL1 C ATOM 1405 CG LEU A 226 62.395 24.649 122.651 1.00 69.38 MOL1 C ATOM 1406 CD1 LEU A 226 62.558 26.006 123.307 1.00 67.69 MOL1 C ATOM 1407 CD2 LEU A 226 61.014 24.544 122.036 1.00 67.75 MOL1 C ATOM 1408 H LEU A 226 65.543 24.028 120.144 1.00 0.00 MOL1 H ATOM 1409 N VAL A 227 62.848 22.968 119.103 1.00 73.33 MOL1 N ATOM 1410 CA VAL A 227 61.810 22.560 118.191 1.00 74.18 MOL1 C ATOM 1411 C VAL A 227 62.077 21.179 117.621 1.00 75.90 MOL1 C ATOM 1412 O VAL A 227 61.176 20.335 117.603 1.00 75.89 MOL1 O ATOM 1413 CB VAL A 227 61.611 23.650 117.036 1.00 72.95 MOL1 C ATOM 1414 CG1 VAL A 227 62.045 25.020 117.526 1.00 70.77 MOL1 C ATOM 1415 CG2 VAL A 227 62.368 23.308 115.776 1.00 73.67 MOL1 C ATOM 1416 H VAL A 227 63.496 23.661 118.853 1.00 0.00 MOL1 H ATOM 1417 N ASP A 228 63.307 20.863 117.247 1.00 78.58 MOL1 N ATOM 1418 CA ASP A 228 63.549 19.564 116.661 1.00 82.14 MOL1 C ATOM 1419 C ASP A 228 63.360 18.461 117.694 1.00 85.12 MOL1 C ATOM 1420 O ASP A 228 62.881 17.372 117.354 1.00 86.16 MOL1 O ATOM 1421 CB ASP A 228 64.954 19.541 116.068 1.00 81.09 MOL1 C ATOM 1422 CG ASP A 228 65.104 20.559 114.941 1.00 81.35 MOL1 C ATOM 1423 OD1 ASP A 228 64.501 20.383 113.879 1.00 81.40 MOL1 O ATOM 1424 OD2 ASP A 228 65.821 21.538 115.136 1.00 79.96 MOL1 O ATOM 1425 H ASP A 228 64.031 21.520 117.331 1.00 0.00 MOL1 H ATOM 1426 N HIS A 229 63.615 18.749 118.979 1.00 88.20 MOL1 N ATOM 1427 CA HIS A 229 63.468 17.774 120.068 1.00 90.60 MOL1 C ATOM 1428 C HIS A 229 62.070 17.136 120.098 1.00 90.99 MOL1 C ATOM 1429 O HIS A 229 61.868 15.907 119.985 1.00 88.72 MOL1 O ATOM 1430 CB HIS A 229 63.811 18.531 121.410 1.00 92.57 MOL1 C ATOM 1431 CG HIS A 229 63.412 17.986 122.808 1.00 94.92 MOL1 C ATOM 1432 ND1 HIS A 229 63.101 18.749 123.862 1.00 94.46 MOL1 N ATOM 1433 CD2 HIS A 229 63.312 16.662 123.231 1.00 95.14 MOL1 C ATOM 1434 CE1 HIS A 229 62.825 17.963 124.883 1.00 95.06 MOL1 C ATOM 1435 NE2 HIS A 229 62.953 16.712 124.495 1.00 95.02 MOL1 N ATOM 1436 H HIS A 229 63.896 19.663 119.198 1.00 0.00 MOL1 H ATOM 1437 HD1 HIS A 229 62.971 19.724 123.847 1.00 0.00 MOL1 H ATOM 1438 HE2 HIS A 229 62.746 15.939 125.066 1.00 0.00 MOL1 H ATOM 1439 N TYR A 230 61.136 18.102 120.179 1.00 92.12 MOL1 N ATOM 1440 CA TYR A 230 59.726 17.853 120.415 1.00 92.76 MOL1 C ATOM 1441 C TYR A 230 59.019 17.286 119.203 1.00 93.96 MOL1 C ATOM 1442 O TYR A 230 57.885 16.810 119.318 1.00 93.70 MOL1 O ATOM 1443 CB TYR A 230 59.046 19.160 120.873 1.00 92.05 MOL1 C ATOM 1444 CG TYR A 230 59.319 19.619 122.321 1.00 92.36 MOL1 C ATOM 1445 CD1 TYR A 230 58.738 18.950 123.421 1.00 91.94 MOL1 C ATOM 1446 CD2 TYR A 230 60.163 20.718 122.566 1.00 91.81 MOL1 C ATOM 1447 CE1 TYR A 230 59.009 19.369 124.736 1.00 90.67 MOL1 C ATOM 1448 CE2 TYR A 230 60.433 21.137 123.878 1.00 90.56 MOL1 C ATOM 1449 CZ TYR A 230 59.858 20.459 124.958 1.00 90.23 MOL1 C ATOM 1450 OH TYR A 230 60.165 20.846 126.250 1.00 88.73 MOL1 O ATOM 1451 H TYR A 230 61.400 19.018 119.939 1.00 0.00 MOL1 H ATOM 1452 HH TYR A 230 59.574 20.387 126.863 1.00 0.00 MOL1 H ATOM 1453 N LYS A 231 59.683 17.346 118.035 1.00 95.28 MOL1 N ATOM 1454 CA LYS A 231 59.183 16.718 116.817 1.00 95.59 MOL1 C ATOM 1455 C LYS A 231 59.304 15.193 116.878 1.00 95.54 MOL1 C ATOM 1456 O LYS A 231 58.616 14.495 116.129 1.00 94.77 MOL1 O ATOM 1457 CB LYS A 231 59.948 17.261 115.582 1.00 96.12 MOL1 C ATOM 1458 CG LYS A 231 59.461 18.631 115.049 1.00 96.45 MOL1 C ATOM 1459 CD LYS A 231 60.280 19.244 113.888 1.00 97.19 MOL1 C ATOM 1460 CE LYS A 231 60.249 18.525 112.528 1.00 95.71 MOL1 C ATOM 1461 NZ LYS A 231 61.253 19.112 111.658 1.00 95.32 MOL1 N ATOM 1462 H LYS A 231 60.511 17.866 117.974 1.00 0.00 MOL1 H ATOM 1463 1HZ LYS A 231 61.067 20.131 111.549 1.00 0.00 MOL1 H ATOM 1464 2HZ LYS A 231 62.188 18.992 112.100 1.00 0.00 MOL1 H ATOM 1465 3HZ LYS A 231 61.246 18.656 110.724 1.00 0.00 MOL1 H ATOM 1466 N LYS A 232 60.172 14.626 117.739 1.00 96.30 MOL1 N ATOM 1467 CA LYS A 232 60.263 13.165 117.873 1.00 96.69 MOL1 C ATOM 1468 C LYS A 232 59.900 12.560 119.220 1.00 96.91 MOL1 C ATOM 1469 O LYS A 232 59.490 11.395 119.324 1.00 94.90 MOL1 O ATOM 1470 CB LYS A 232 61.672 12.683 117.507 1.00 96.06 MOL1 C ATOM 1471 CG LYS A 232 61.861 12.627 115.977 1.00 94.74 MOL1 C ATOM 1472 CD LYS A 232 60.914 11.630 115.277 1.00 91.10 MOL1 C ATOM 1473 CE LYS A 232 60.822 11.914 113.790 1.00 87.92 MOL1 C ATOM 1474 NZ LYS A 232 60.250 13.222 113.535 1.00 86.27 MOL1 N ATOM 1475 H LYS A 232 60.788 15.205 118.235 1.00 0.00 MOL1 H ATOM 1476 1HZ LYS A 232 60.784 13.952 114.047 1.00 0.00 MOL1 H ATOM 1477 2HZ LYS A 232 60.298 13.407 112.514 1.00 0.00 MOL1 H ATOM 1478 3HZ LYS A 232 59.260 13.226 113.851 1.00 0.00 MOL1 H ATOM 1479 N GLY A 233 60.060 13.379 120.260 1.00 98.40 MOL1 N ATOM 1480 CA GLY A 233 59.738 12.980 121.619 1.00 99.97 MOL1 C ATOM 1481 C GLY A 233 58.694 13.941 122.180 1.00100.00 MOL1 C ATOM 1482 O GLY A 233 59.014 15.096 122.493 1.00100.00 MOL1 O ATOM 1483 H GLY A 233 60.368 14.298 120.112 1.00 0.00 MOL1 H ATOM 1484 N ASN A 234 57.441 13.461 122.273 1.00100.00 MOL1 N ATOM 1485 CA ASN A 234 56.294 14.207 122.787 1.00 98.58 MOL1 C ATOM 1486 C ASN A 234 56.443 14.365 124.303 1.00 97.96 MOL1 C ATOM 1487 O ASN A 234 55.694 13.851 125.133 1.00 98.25 MOL1 O ATOM 1488 CB ASN A 234 55.005 13.432 122.430 1.00 97.76 MOL1 C ATOM 1489 H ASN A 234 57.305 12.537 121.980 1.00 0.00 MOL1 H ATOM 1490 N ASP A 235 57.448 15.119 124.704 1.00 97.17 MOL1 N ATOM 1491 CA ASP A 235 57.783 15.247 126.096 1.00 97.19 MOL1 C ATOM 1492 C ASP A 235 56.948 16.337 126.743 1.00 97.06 MOL1 C ATOM 1493 O ASP A 235 57.208 17.534 126.606 1.00 96.85 MOL1 O ATOM 1494 CB ASP A 235 59.283 15.545 126.206 1.00 97.70 MOL1 C ATOM 1495 CG ASP A 235 59.843 15.683 127.618 1.00 97.79 MOL1 C ATOM 1496 OD1 ASP A 235 59.905 14.678 128.334 1.00 96.90 MOL1 O ATOM 1497 OD2 ASP A 235 60.224 16.799 127.983 1.00 97.64 MOL1 O ATOM 1498 H ASP A 235 57.915 15.660 124.033 1.00 0.00 MOL1 H ATOM 1499 N GLY A 236 55.842 15.888 127.335 1.00 96.59 MOL1 N ATOM 1500 CA GLY A 236 55.024 16.727 128.209 1.00 95.01 MOL1 C ATOM 1501 C GLY A 236 53.937 17.520 127.521 1.00 93.30 MOL1 C ATOM 1502 O GLY A 236 52.975 17.942 128.170 1.00 92.82 MOL1 O ATOM 1503 H GLY A 236 55.508 15.000 127.078 1.00 0.00 MOL1 H ATOM 1504 N LEU A 237 54.139 17.742 126.221 1.00 91.97 MOL1 N ATOM 1505 CA LEU A 237 53.189 18.438 125.388 1.00 90.31 MOL1 C ATOM 1506 C LEU A 237 52.223 17.394 124.919 1.00 90.60 MOL1 C ATOM 1507 O LEU A 237 52.571 16.231 124.716 1.00 90.82 MOL1 O ATOM 1508 CB LEU A 237 53.743 19.003 124.122 1.00 87.94 MOL1 C ATOM 1509 CG LEU A 237 54.833 20.007 124.111 1.00 86.94 MOL1 C ATOM 1510 CD1 LEU A 237 54.871 20.478 122.699 1.00 87.06 MOL1 C ATOM 1511 CD2 LEU A 237 54.597 21.209 124.982 1.00 85.75 MOL1 C ATOM 1512 H LEU A 237 54.930 17.356 125.801 1.00 0.00 MOL1 H ATOM 1513 N CYS A 238 51.021 17.889 124.682 1.00 91.25 MOL1 N ATOM 1514 CA CYS A 238 49.945 17.066 124.203 1.00 91.76 MOL1 C ATOM 1515 C CYS A 238 50.263 16.396 122.874 1.00 91.61 MOL1 C ATOM 1516 O CYS A 238 49.690 15.341 122.616 1.00 91.51 MOL1 O ATOM 1517 CB CYS A 238 48.702 17.934 124.078 1.00 92.65 MOL1 C ATOM 1518 SG CYS A 238 48.951 19.342 122.956 1.00 94.42 MOL1 S ATOM 1519 H CYS A 238 50.844 18.842 124.860 1.00 0.00 MOL1 H ATOM 1520 N GLN A 239 51.119 16.894 121.981 1.00 91.96 MOL1 N ATOM 1521 CA GLN A 239 51.353 16.203 120.725 1.00 93.04 MOL1 C ATOM 1522 C GLN A 239 52.745 16.289 120.142 1.00 92.96 MOL1 C ATOM 1523 O GLN A 239 53.505 17.226 120.393 1.00 92.93 MOL1 O ATOM 1524 CB GLN A 239 50.388 16.694 119.657 1.00 94.40 MOL1 C ATOM 1525 CG GLN A 239 49.001 16.042 119.677 1.00 97.21 MOL1 C ATOM 1526 CD GLN A 239 48.982 14.528 119.459 1.00 98.82 MOL1 C ATOM 1527 OE1 GLN A 239 49.008 14.042 118.334 1.00100.00 MOL1 O ATOM 1528 NE2 GLN A 239 48.951 13.683 120.475 1.00 99.39 MOL1 N ATOM 1529 H GLN A 239 51.632 17.706 122.168 1.00 0.00 MOL1 H ATOM 1530 1HE2 GLN A 239 48.807 12.742 120.264 1.00 0.00 MOL1 H ATOM 1531 2HE2 GLN A 239 49.024 14.047 121.384 1.00 0.00 MOL1 H ATOM 1532 N LYS A 240 53.027 15.259 119.347 1.00 92.40 MOL1 N ATOM 1533 CA LYS A 240 54.272 15.128 118.621 1.00 92.38 MOL1 C ATOM 1534 C LYS A 240 54.209 16.129 117.471 1.00 91.97 MOL1 C ATOM 1535 O LYS A 240 53.403 15.948 116.539 1.00 91.77 MOL1 O ATOM 1536 CB LYS A 240 54.380 13.687 118.118 1.00 93.38 MOL1 C ATOM 1537 CG LYS A 240 55.562 13.374 117.202 1.00 93.83 MOL1 C ATOM 1538 CD LYS A 240 55.705 11.868 117.054 1.00 94.50 MOL1 C ATOM 1539 CE LYS A 240 56.880 11.589 116.137 1.00 95.58 MOL1 C ATOM 1540 NZ LYS A 240 57.037 10.163 115.928 1.00 95.85 MOL1 N ATOM 1541 H LYS A 240 52.311 14.626 119.136 1.00 0.00 MOL1 H ATOM 1542 1HZ LYS A 240 57.153 9.678 116.841 1.00 0.00 MOL1 H ATOM 1543 2HZ LYS A 240 56.186 9.806 115.450 1.00 0.00 MOL1 H ATOM 1544 3HZ LYS A 240 57.872 9.997 115.332 1.00 0.00 MOL1 H ATOM 1545 N LEU A 241 55.028 17.196 117.603 1.00 90.85 MOL1 N ATOM 1546 CA LEU A 241 55.104 18.287 116.625 1.00 89.71 MOL1 C ATOM 1547 C LEU A 241 55.304 17.699 115.234 1.00 89.25 MOL1 C ATOM 1548 O LEU A 241 56.004 16.697 115.076 1.00 90.37 MOL1 O ATOM 1549 CB LEU A 241 56.291 19.243 116.859 1.00 87.79 MOL1 C ATOM 1550 CG LEU A 241 56.566 20.039 118.133 1.00 86.55 MOL1 C ATOM 1551 CD1 LEU A 241 57.913 20.683 117.960 1.00 86.35 MOL1 C ATOM 1552 CD2 LEU A 241 55.564 21.145 118.380 1.00 85.66 MOL1 C ATOM 1553 H LEU A 241 55.661 17.193 118.350 1.00 0.00 MOL1 H ATOM 1554 N SER A 242 54.672 18.224 114.210 1.00 88.32 MOL1 N ATOM 1555 CA SER A 242 54.953 17.683 112.918 1.00 87.79 MOL1 C ATOM 1556 C SER A 242 55.624 18.766 112.099 1.00 87.57 MOL1 C ATOM 1557 O SER A 242 56.845 18.759 111.942 1.00 88.05 MOL1 O ATOM 1558 CB SER A 242 53.625 17.190 112.377 1.00 87.55 MOL1 C ATOM 1559 OG SER A 242 52.528 17.968 112.850 1.00 86.92 MOL1 O ATOM 1560 H SER A 242 53.945 18.871 114.321 1.00 0.00 MOL1 H ATOM 1561 HG SER A 242 51.849 17.329 113.124 1.00 0.00 MOL1 H ATOM 1562 N VAL A 243 54.876 19.761 111.619 1.00 86.56 MOL1 N ATOM 1563 CA VAL A 243 55.415 20.789 110.730 1.00 84.92 MOL1 C ATOM 1564 C VAL A 243 55.105 22.207 111.205 1.00 83.72 MOL1 C ATOM 1565 O VAL A 243 54.157 22.368 111.971 1.00 84.00 MOL1 O ATOM 1566 CB VAL A 243 54.848 20.559 109.285 1.00 84.81 MOL1 C ATOM 1567 CG1 VAL A 243 55.154 19.124 108.824 1.00 84.47 MOL1 C ATOM 1568 CG2 VAL A 243 53.344 20.786 109.248 1.00 84.06 MOL1 C ATOM 1569 H VAL A 243 53.937 19.819 111.895 1.00 0.00 MOL1 H ATOM 1570 N PRO A 244 55.839 23.271 110.881 1.00 82.93 MOL1 N ATOM 1571 CA PRO A 244 55.413 24.656 111.045 1.00 83.03 MOL1 C ATOM 1572 C PRO A 244 54.157 24.979 110.269 1.00 82.68 MOL1 C ATOM 1573 O PRO A 244 53.792 24.306 109.313 1.00 81.96 MOL1 O ATOM 1574 CB PRO A 244 56.577 25.497 110.592 1.00 83.01 MOL1 C ATOM 1575 CG PRO A 244 57.720 24.606 110.956 1.00 82.87 MOL1 C ATOM 1576 CD PRO A 244 57.234 23.232 110.515 1.00 82.84 MOL1 C ATOM 1577 N CYS A 245 53.486 26.009 110.737 1.00 83.07 MOL1 N ATOM 1578 CA CYS A 245 52.262 26.486 110.135 1.00 83.80 MOL1 C ATOM 1579 C CYS A 245 52.521 27.079 108.759 1.00 85.30 MOL1 C ATOM 1580 O CYS A 245 53.625 27.523 108.410 1.00 85.68 MOL1 O ATOM 1581 CB CYS A 245 51.673 27.518 111.056 1.00 83.02 MOL1 C ATOM 1582 SG CYS A 245 50.013 28.130 110.693 1.00 80.28 MOL1 S ATOM 1583 H CYS A 245 53.831 26.469 111.529 1.00 0.00 MOL1 H ATOM 1584 N MET A 246 51.449 27.064 107.973 1.00 86.46 MOL1 N ATOM 1585 CA MET A 246 51.468 27.566 106.613 1.00 87.56 MOL1 C ATOM 1586 C MET A 246 51.731 29.054 106.543 1.00 88.48 MOL1 C ATOM 1587 O MET A 246 51.084 29.865 107.210 1.00 87.90 MOL1 O ATOM 1588 CB MET A 246 50.142 27.253 105.929 1.00 87.37 MOL1 C ATOM 1589 CG MET A 246 50.249 26.225 104.806 1.00 87.07 MOL1 C ATOM 1590 SD MET A 246 50.637 24.526 105.308 1.00 85.58 MOL1 S ATOM 1591 CE MET A 246 52.407 24.524 105.145 1.00 86.05 MOL1 C ATOM 1592 H MET A 246 50.622 26.676 108.335 1.00 0.00 MOL1 H ATOM 1593 N SER A 247 52.715 29.415 105.739 1.00 89.80 MOL1 N ATOM 1594 CA SER A 247 53.106 30.801 105.612 1.00 91.23 MOL1 C ATOM 1595 C SER A 247 52.200 31.528 104.596 1.00 91.77 MOL1 C ATOM 1596 O SER A 247 52.264 31.211 103.405 1.00 93.03 MOL1 O ATOM 1597 CB SER A 247 54.602 30.745 105.232 1.00 91.69 MOL1 C ATOM 1598 OG SER A 247 55.273 29.562 105.709 1.00 92.77 MOL1 O ATOM 1599 H SER A 247 53.260 28.745 105.274 1.00 0.00 MOL1 H ATOM 1600 HG SER A 247 55.313 29.564 106.677 1.00 0.00 MOL1 H ATOM 1601 N SER A 248 51.291 32.445 104.983 1.00 91.64 MOL1 N ATOM 1602 CA SER A 248 50.428 33.206 104.058 1.00 90.38 MOL1 C ATOM 1603 C SER A 248 51.175 34.357 103.378 1.00 89.70 MOL1 C ATOM 1604 O SER A 248 51.588 35.289 104.076 1.00 89.45 MOL1 O ATOM 1605 CB SER A 248 49.253 33.814 104.803 1.00 89.95 MOL1 C ATOM 1606 OG SER A 248 48.895 33.012 105.917 1.00 90.53 MOL1 O ATOM 1607 H SER A 248 51.133 32.589 105.939 1.00 0.00 MOL1 H ATOM 1608 HG SER A 248 48.243 33.491 106.432 1.00 0.00 MOL1 H ATOM 1609 N LYS A 249 51.364 34.354 102.048 1.00 88.91 MOL1 N ATOM 1610 CA LYS A 249 52.099 35.415 101.356 1.00 87.13 MOL1 C ATOM 1611 C LYS A 249 51.478 36.757 101.653 1.00 85.09 MOL1 C ATOM 1612 O LYS A 249 50.253 36.873 101.733 1.00 85.41 MOL1 O ATOM 1613 CB LYS A 249 52.088 35.252 99.839 1.00 88.10 MOL1 C ATOM 1614 CG LYS A 249 53.486 35.144 99.243 1.00 89.54 MOL1 C ATOM 1615 CD LYS A 249 53.448 35.125 97.721 1.00 90.64 MOL1 C ATOM 1616 CE LYS A 249 54.699 34.468 97.162 1.00 90.52 MOL1 C ATOM 1617 NZ LYS A 249 54.623 34.409 95.717 1.00 89.80 MOL1 N ATOM 1618 H LYS A 249 50.974 33.627 101.526 1.00 0.00 MOL1 H ATOM 1619 1HZ LYS A 249 53.743 33.923 95.447 1.00 0.00 MOL1 H ATOM 1620 2HZ LYS A 249 54.626 35.368 95.314 1.00 0.00 MOL1 H ATOM 1621 3HZ LYS A 249 55.435 33.874 95.349 1.00 0.00 MOL1 H ATOM 1622 N PRO A 250 52.286 37.776 101.892 1.00 83.35 MOL1 N ATOM 1623 CA PRO A 250 51.792 39.060 102.326 1.00 83.12 MOL1 C ATOM 1624 C PRO A 250 51.104 39.707 101.152 1.00 82.80 MOL1 C ATOM 1625 O PRO A 250 51.361 39.345 100.002 1.00 83.58 MOL1 O ATOM 1626 CB PRO A 250 53.019 39.791 102.791 1.00 82.59 MOL1 C ATOM 1627 CG PRO A 250 54.034 38.697 102.988 1.00 82.30 MOL1 C ATOM 1628 CD PRO A 250 53.731 37.777 101.827 1.00 81.95 MOL1 C ATOM 1629 N GLN A 251 50.209 40.645 101.415 1.00 82.84 MOL1 N ATOM 1630 CA GLN A 251 49.593 41.345 100.308 1.00 83.68 MOL1 C ATOM 1631 C GLN A 251 50.671 42.284 99.779 1.00 82.24 MOL1 C ATOM 1632 O GLN A 251 51.394 42.903 100.576 1.00 82.47 MOL1 O ATOM 1633 CB GLN A 251 48.366 42.148 100.781 1.00 86.22 MOL1 C ATOM 1634 CG GLN A 251 47.469 42.718 99.652 1.00 88.19 MOL1 C ATOM 1635 CD GLN A 251 46.034 43.055 100.084 1.00 89.28 MOL1 C ATOM 1636 OE1 GLN A 251 45.722 44.139 100.593 1.00 88.81 MOL1 O ATOM 1637 NE2 GLN A 251 45.087 42.143 99.872 1.00 87.89 MOL1 N ATOM 1638 H GLN A 251 50.030 40.920 102.332 1.00 0.00 MOL1 H ATOM 1639 1HE2 GLN A 251 44.191 42.348 100.213 1.00 0.00 MOL1 H ATOM 1640 2HE2 GLN A 251 45.309 41.314 99.406 1.00 0.00 MOL1 H ATOM 1641 N LYS A 252 50.804 42.310 98.446 1.00 79.36 MOL1 N ATOM 1642 CA LYS A 252 51.719 43.219 97.768 1.00 76.23 MOL1 C ATOM 1643 C LYS A 252 51.281 44.632 98.193 1.00 73.10 MOL1 C ATOM 1644 O LYS A 252 50.089 44.955 98.179 1.00 71.67 MOL1 O ATOM 1645 CB LYS A 252 51.622 43.081 96.216 1.00 78.16 MOL1 C ATOM 1646 CG LYS A 252 51.609 41.671 95.544 1.00 78.66 MOL1 C ATOM 1647 CD LYS A 252 51.382 41.768 94.015 1.00 76.27 MOL1 C ATOM 1648 CE LYS A 252 50.405 40.689 93.510 1.00 74.87 MOL1 C ATOM 1649 NZ LYS A 252 50.164 40.779 92.078 1.00 72.32 MOL1 N ATOM 1650 H LYS A 252 50.273 41.678 97.928 1.00 0.00 MOL1 H ATOM 1651 1HZ LYS A 252 51.068 40.793 91.563 1.00 0.00 MOL1 H ATOM 1652 2HZ LYS A 252 49.602 39.963 91.760 1.00 0.00 MOL1 H ATOM 1653 3HZ LYS A 252 49.644 41.659 91.895 1.00 0.00 MOL1 H ATOM 1654 N PRO A 253 52.189 45.469 98.689 1.00 71.36 MOL1 N ATOM 1655 CA PRO A 253 51.885 46.827 99.156 1.00 70.62 MOL1 C ATOM 1656 C PRO A 253 51.367 47.792 98.086 1.00 69.41 MOL1 C ATOM 1657 O PRO A 253 51.421 47.477 96.894 1.00 70.00 MOL1 O ATOM 1658 CB PRO A 253 53.199 47.273 99.797 1.00 71.38 MOL1 C ATOM 1659 CG PRO A 253 54.272 46.448 99.104 1.00 70.30 MOL1 C ATOM 1660 CD PRO A 253 53.587 45.103 98.943 1.00 70.91 MOL1 C ATOM 1661 N TRP A 254 50.896 49.002 98.402 1.00 68.31 MOL1 N ATOM 1662 CA TRP A 254 50.426 49.886 97.337 1.00 66.70 MOL1 C ATOM 1663 C TRP A 254 51.662 50.563 96.742 1.00 66.27 MOL1 C ATOM 1664 O TRP A 254 52.684 50.693 97.431 1.00 66.81 MOL1 O ATOM 1665 CB TRP A 254 49.427 50.902 97.927 1.00 65.93 MOL1 C ATOM 1666 CG TRP A 254 48.560 51.681 96.925 1.00 64.09 MOL1 C ATOM 1667 CD1 TRP A 254 48.558 53.055 96.936 1.00 64.50 MOL1 C ATOM 1668 CD2 TRP A 254 47.671 51.165 96.011 1.00 61.14 MOL1 C ATOM 1669 NE1 TRP A 254 47.659 53.403 96.053 1.00 63.04 MOL1 N ATOM 1670 CE2 TRP A 254 47.109 52.329 95.479 1.00 60.92 MOL1 C ATOM 1671 CE3 TRP A 254 47.245 49.917 95.561 1.00 58.66 MOL1 C ATOM 1672 CZ2 TRP A 254 46.119 52.269 94.503 1.00 59.31 MOL1 C ATOM 1673 CZ3 TRP A 254 46.256 49.843 94.586 1.00 57.94 MOL1 C ATOM 1674 CH2 TRP A 254 45.699 51.011 94.062 1.00 59.46 MOL1 C ATOM 1675 H TRP A 254 51.037 49.364 99.296 1.00 0.00 MOL1 H ATOM 1676 HE1 TRP A 254 47.418 54.341 95.876 1.00 0.00 MOL1 H ATOM 1677 N GLU A 255 51.585 50.984 95.466 1.00 65.23 MOL1 N ATOM 1678 CA GLU A 255 52.705 51.566 94.729 1.00 63.29 MOL1 C ATOM 1679 C GLU A 255 53.109 52.874 95.382 1.00 62.37 MOL1 C ATOM 1680 O GLU A 255 52.308 53.630 95.961 1.00 61.06 MOL1 O ATOM 1681 CB GLU A 255 52.301 51.807 93.260 1.00 64.33 MOL1 C ATOM 1682 CG GLU A 255 53.293 52.503 92.284 1.00 64.28 MOL1 C ATOM 1683 CD GLU A 255 52.778 52.838 90.864 1.00 64.15 MOL1 C ATOM 1684 OE1 GLU A 255 51.568 52.983 90.668 1.00 62.03 MOL1 O ATOM 1685 OE2 GLU A 255 53.597 52.962 89.942 1.00 64.22 MOL1 O ATOM 1686 H GLU A 255 50.693 51.036 95.071 1.00 0.00 MOL1 H ATOM 1687 N LYS A 257 54.421 53.055 95.253 1.00 61.35 MOL1 N ATOM 1688 CA LYS A 257 55.115 54.184 95.825 1.00 61.55 MOL1 C ATOM 1689 C LYS A 257 54.459 55.476 95.345 1.00 60.46 MOL1 C ATOM 1690 O LYS A 257 54.173 55.666 94.160 1.00 59.64 MOL1 O ATOM 1691 CB LYS A 257 56.610 54.081 95.404 1.00 63.69 MOL1 C ATOM 1692 CG LYS A 257 57.631 54.632 96.427 1.00 64.98 MOL1 C ATOM 1693 CD LYS A 257 59.032 55.036 95.885 1.00 67.42 MOL1 C ATOM 1694 CE LYS A 257 59.217 56.499 95.346 1.00 68.86 MOL1 C ATOM 1695 NZ LYS A 257 60.597 56.846 94.975 1.00 67.30 MOL1 N ATOM 1696 H LYS A 257 54.930 52.400 94.738 1.00 0.00 MOL1 H ATOM 1697 1HZ LYS A 257 61.215 56.724 95.802 1.00 0.00 MOL1 H ATOM 1698 2HZ LYS A 257 60.907 56.212 94.210 1.00 0.00 MOL1 H ATOM 1699 3HZ LYS A 257 60.639 57.832 94.646 1.00 0.00 MOL1 H ATOM 1700 N ASP A 258 54.091 56.307 96.311 1.00 60.38 MOL1 N ATOM 1701 CA ASP A 258 53.512 57.630 96.054 1.00 61.53 MOL1 C ATOM 1702 C ASP A 258 52.108 57.744 95.444 1.00 60.21 MOL1 C ATOM 1703 O ASP A 258 51.517 58.843 95.465 1.00 59.52 MOL1 O ATOM 1704 CB ASP A 258 54.471 58.487 95.165 1.00 63.39 MOL1 C ATOM 1705 CG ASP A 258 55.580 59.258 95.895 1.00 64.33 MOL1 C ATOM 1706 OD1 ASP A 258 55.245 60.283 96.513 1.00 65.12 MOL1 O ATOM 1707 OD2 ASP A 258 56.757 58.852 95.829 1.00 63.42 MOL1 O ATOM 1708 H ASP A 258 54.149 55.991 97.233 1.00 0.00 MOL1 H ATOM 1709 N ALA A 259 51.522 56.619 95.014 1.00 58.99 MOL1 N ATOM 1710 CA ALA A 259 50.199 56.578 94.402 1.00 58.30 MOL1 C ATOM 1711 C ALA A 259 48.952 56.827 95.260 1.00 58.03 MOL1 C ATOM 1712 O ALA A 259 48.027 56.018 95.215 1.00 57.97 MOL1 O ATOM 1713 CB ALA A 259 50.021 55.228 93.714 1.00 57.74 MOL1 C ATOM 1714 H ALA A 259 52.004 55.769 95.112 1.00 0.00 MOL1 H ATOM 1715 N TRP A 260 48.832 57.915 96.044 1.00 57.97 MOL1 N ATOM 1716 CA TRP A 260 47.602 58.177 96.805 1.00 57.41 MOL1 C ATOM 1717 C TRP A 260 46.633 58.888 95.886 1.00 57.14 MOL1 C ATOM 1718 O TRP A 260 45.444 58.562 95.823 1.00 56.64 MOL1 O ATOM 1719 CB TRP A 260 47.846 59.088 98.062 1.00 57.40 MOL1 C ATOM 1720 CG TRP A 260 46.635 59.712 98.826 1.00 55.23 MOL1 C ATOM 1721 CD1 TRP A 260 46.496 61.084 98.896 1.00 54.21 MOL1 C ATOM 1722 CD2 TRP A 260 45.620 59.078 99.524 1.00 51.64 MOL1 C ATOM 1723 NE1 TRP A 260 45.432 61.329 99.619 1.00 52.56 MOL1 N ATOM 1724 CE2 TRP A 260 44.881 60.173 100.012 1.00 51.13 MOL1 C ATOM 1725 CE3 TRP A 260 45.213 57.782 99.829 1.00 47.05 MOL1 C ATOM 1726 CZ2 TRP A 260 43.745 59.984 100.798 1.00 47.73 MOL1 C ATOM 1727 CZ3 TRP A 260 44.084 57.598 100.618 1.00 45.93 MOL1 C ATOM 1728 CH2 TRP A 260 43.359 58.684 101.097 1.00 45.82 MOL1 C ATOM 1729 H TRP A 260 49.584 58.544 96.069 1.00 0.00 MOL1 H ATOM 1730 HE1 TRP A 260 45.108 62.217 99.879 1.00 0.00 MOL1 H ATOM 1731 N GLU A 261 47.171 59.900 95.209 1.00 57.16 MOL1 N ATOM 1732 CA GLU A 261 46.367 60.708 94.324 1.00 58.22 MOL1 C ATOM 1733 C GLU A 261 46.224 59.909 93.041 1.00 56.38 MOL1 C ATOM 1734 O GLU A 261 47.242 59.620 92.406 1.00 56.60 MOL1 O ATOM 1735 CB GLU A 261 47.119 62.025 94.160 1.00 62.08 MOL1 C ATOM 1736 CG GLU A 261 47.079 62.878 95.449 1.00 64.67 MOL1 C ATOM 1737 CD GLU A 261 45.716 63.522 95.802 1.00 67.16 MOL1 C ATOM 1738 OE1 GLU A 261 44.762 63.403 95.014 1.00 67.70 MOL1 O ATOM 1739 OE2 GLU A 261 45.618 64.163 96.864 1.00 67.24 MOL1 O ATOM 1740 H GLU A 261 48.136 60.047 95.235 1.00 0.00 MOL1 H ATOM 1741 N ILE A 262 45.038 59.457 92.658 1.00 53.26 MOL1 N ATOM 1742 CA ILE A 262 44.939 58.611 91.491 1.00 50.33 MOL1 C ATOM 1743 C ILE A 262 44.130 59.314 90.411 1.00 51.31 MOL1 C ATOM 1744 O ILE A 262 43.053 59.902 90.603 1.00 52.62 MOL1 O ATOM 1745 CB ILE A 262 44.357 57.188 91.956 1.00 47.73 MOL1 C ATOM 1746 CG1 ILE A 262 45.559 56.301 92.094 1.00 46.74 MOL1 C ATOM 1747 CG2 ILE A 262 43.499 56.408 91.007 1.00 44.64 MOL1 C ATOM 1748 CD1 ILE A 262 46.630 56.427 90.993 1.00 47.95 MOL1 C ATOM 1749 H ILE A 262 44.213 59.731 93.113 1.00 0.00 MOL1 H ATOM 1750 N PRO A 263 44.736 59.357 89.226 1.00 50.16 MOL1 N ATOM 1751 CA PRO A 263 44.038 59.604 87.980 1.00 49.28 MOL1 C ATOM 1752 C PRO A 263 43.279 58.373 87.506 1.00 48.40 MOL1 C ATOM 1753 O PRO A 263 43.845 57.340 87.119 1.00 47.17 MOL1 O ATOM 1754 CB PRO A 263 45.133 60.040 87.048 1.00 49.80 MOL1 C ATOM 1755 CG PRO A 263 46.301 59.221 87.552 1.00 49.86 MOL1 C ATOM 1756 CD PRO A 263 46.175 59.452 89.040 1.00 49.67 MOL1 C ATOM 1757 N ARG A 264 41.971 58.593 87.445 1.00 47.36 MOL1 N ATOM 1758 CA ARG A 264 40.959 57.616 87.093 1.00 46.35 MOL1 C ATOM 1759 C ARG A 264 41.243 56.606 85.988 1.00 46.17 MOL1 C ATOM 1760 O ARG A 264 40.728 55.489 85.966 1.00 46.45 MOL1 O ATOM 1761 CB ARG A 264 39.704 58.413 86.771 1.00 46.32 MOL1 C ATOM 1762 CG ARG A 264 38.442 57.601 86.500 1.00 47.63 MOL1 C ATOM 1763 CD ARG A 264 37.269 58.518 86.233 1.00 50.35 MOL1 C ATOM 1764 NE ARG A 264 36.547 58.957 87.426 1.00 53.54 MOL1 N ATOM 1765 CZ ARG A 264 36.680 60.169 88.019 1.00 55.74 MOL1 C ATOM 1766 NH1 ARG A 264 37.520 61.144 87.620 1.00 58.69 MOL1 N ATOM 1767 NH2 ARG A 264 35.829 60.501 88.975 1.00 54.51 MOL1 N ATOM 1768 H ARG A 264 41.661 59.495 87.669 1.00 0.00 MOL1 H ATOM 1769 HE ARG A 264 35.943 58.309 87.840 1.00 0.00 MOL1 H ATOM 1770 1HH1 ARG A 264 38.109 61.005 86.825 1.00 0.00 MOL1 H ATOM 1771 2HH1 ARG A 264 37.549 62.010 88.119 1.00 0.00 MOL1 H ATOM 1772 1HH2 ARG A 264 35.121 59.849 89.246 1.00 0.00 MOL1 H ATOM 1773 2HH2 ARG A 264 35.908 61.387 89.432 1.00 0.00 MOL1 H ATOM 1774 N GLU A 265 42.096 56.969 85.051 1.00 45.63 MOL1 N ATOM 1775 CA GLU A 265 42.368 56.093 83.929 1.00 45.67 MOL1 C ATOM 1776 C GLU A 265 43.119 54.849 84.358 1.00 43.21 MOL1 C ATOM 1777 O GLU A 265 43.196 53.885 83.595 1.00 44.53 MOL1 O ATOM 1778 CB GLU A 265 43.203 56.803 82.876 1.00 50.22 MOL1 C ATOM 1779 CG GLU A 265 42.702 58.156 82.322 1.00 56.03 MOL1 C ATOM 1780 CD GLU A 265 42.847 59.378 83.238 1.00 58.36 MOL1 C ATOM 1781 OE1 GLU A 265 43.971 59.881 83.425 1.00 60.92 MOL1 O ATOM 1782 OE2 GLU A 265 41.818 59.823 83.754 1.00 58.91 MOL1 O ATOM 1783 H GLU A 265 42.571 57.815 85.130 1.00 0.00 MOL1 H ATOM 1784 N SER A 266 43.683 54.842 85.563 1.00 38.02 MOL1 N ATOM 1785 CA SER A 266 44.389 53.674 86.027 1.00 34.66 MOL1 C ATOM 1786 C SER A 266 43.497 52.459 86.207 1.00 33.68 MOL1 C ATOM 1787 O SER A 266 43.908 51.284 86.179 1.00 33.86 MOL1 O ATOM 1788 CB SER A 266 45.028 54.028 87.306 1.00 33.27 MOL1 C ATOM 1789 OG SER A 266 44.157 54.871 88.027 1.00 33.95 MOL1 O ATOM 1790 H SER A 266 43.564 55.581 86.187 1.00 0.00 MOL1 H ATOM 1791 HG SER A 266 44.482 55.776 87.985 1.00 0.00 MOL1 H ATOM 1792 N LEU A 267 42.236 52.834 86.348 1.00 31.62 MOL1 N ATOM 1793 CA LEU A 267 41.183 51.947 86.721 1.00 30.94 MOL1 C ATOM 1794 C LEU A 267 40.279 51.518 85.596 1.00 32.17 MOL1 C ATOM 1795 O LEU A 267 39.918 52.270 84.696 1.00 31.39 MOL1 O ATOM 1796 CB LEU A 267 40.384 52.639 87.778 1.00 28.30 MOL1 C ATOM 1797 CG LEU A 267 41.092 52.786 89.077 1.00 25.59 MOL1 C ATOM 1798 CD1 LEU A 267 40.621 54.007 89.856 1.00 22.14 MOL1 C ATOM 1799 CD2 LEU A 267 40.923 51.443 89.753 1.00 25.25 MOL1 C ATOM 1800 H LEU A 267 41.960 53.740 86.104 1.00 0.00 MOL1 H ATOM 1801 N LYS A 268 39.887 50.258 85.707 1.00 32.73 MOL1 N ATOM 1802 CA LYS A 268 38.949 49.636 84.794 1.00 31.98 MOL1 C ATOM 1803 C LYS A 268 37.952 49.016 85.750 1.00 29.41 MOL1 C ATOM 1804 O LYS A 268 38.227 48.002 86.406 1.00 27.94 MOL1 O ATOM 1805 CB LYS A 268 39.676 48.581 83.955 1.00 33.86 MOL1 C ATOM 1806 CG LYS A 268 40.848 49.214 83.180 1.00 38.13 MOL1 C ATOM 1807 CD LYS A 268 40.941 48.557 81.801 1.00 43.02 MOL1 C ATOM 1808 CE LYS A 268 41.821 49.314 80.791 1.00 44.92 MOL1 C ATOM 1809 NZ LYS A 268 41.779 48.675 79.479 1.00 46.09 MOL1 N ATOM 1810 H LYS A 268 40.296 49.721 86.416 1.00 0.00 MOL1 H ATOM 1811 1HZ LYS A 268 40.797 48.589 79.149 1.00 0.00 MOL1 H ATOM 1812 2HZ LYS A 268 42.328 49.248 78.806 1.00 0.00 MOL1 H ATOM 1813 3HZ LYS A 268 42.210 47.731 79.548 1.00 0.00 MOL1 H ATOM 1814 N LEU A 269 36.820 49.686 85.905 1.00 28.70 MOL1 N ATOM 1815 CA LEU A 269 35.803 49.236 86.846 1.00 29.02 MOL1 C ATOM 1816 C LEU A 269 34.902 48.177 86.245 1.00 28.17 MOL1 C ATOM 1817 O LEU A 269 33.847 48.475 85.709 1.00 27.37 MOL1 O ATOM 1818 CB LEU A 269 34.903 50.368 87.300 1.00 29.16 MOL1 C ATOM 1819 CG LEU A 269 35.323 51.667 87.961 1.00 28.96 MOL1 C ATOM 1820 CD1 LEU A 269 34.341 51.818 89.120 1.00 28.71 MOL1 C ATOM 1821 CD2 LEU A 269 36.764 51.700 88.458 1.00 28.16 MOL1 C ATOM 1822 H LEU A 269 36.609 50.446 85.319 1.00 0.00 MOL1 H ATOM 1823 N GLU A 270 35.297 46.932 86.423 1.00 29.07 MOL1 N ATOM 1824 CA GLU A 270 34.697 45.779 85.800 1.00 31.69 MOL1 C ATOM 1825 C GLU A 270 33.371 45.171 86.304 1.00 33.33 MOL1 C ATOM 1826 O GLU A 270 32.666 44.602 85.464 1.00 34.93 MOL1 O ATOM 1827 CB GLU A 270 35.812 44.736 85.772 1.00 33.45 MOL1 C ATOM 1828 CG GLU A 270 37.100 45.195 85.057 1.00 40.05 MOL1 C ATOM 1829 CD GLU A 270 38.313 44.257 85.050 1.00 45.08 MOL1 C ATOM 1830 OE1 GLU A 270 38.215 43.184 85.653 1.00 50.34 MOL1 O ATOM 1831 OE2 GLU A 270 39.352 44.588 84.449 1.00 44.15 MOL1 O ATOM 1832 H GLU A 270 36.031 46.797 87.059 1.00 0.00 MOL1 H ATOM 1833 N LYS A 271 32.889 45.169 87.558 1.00 34.34 MOL1 N ATOM 1834 CA LYS A 271 31.621 44.521 87.917 1.00 34.61 MOL1 C ATOM 1835 C LYS A 271 30.966 45.383 88.961 1.00 34.49 MOL1 C ATOM 1836 O LYS A 271 31.619 45.774 89.923 1.00 33.16 MOL1 O ATOM 1837 CB LYS A 271 31.854 43.122 88.516 1.00 35.93 MOL1 C ATOM 1838 CG LYS A 271 31.334 41.872 87.783 1.00 39.30 MOL1 C ATOM 1839 CD LYS A 271 29.818 41.538 87.992 1.00 43.18 MOL1 C ATOM 1840 CE LYS A 271 29.360 40.211 87.306 1.00 43.71 MOL1 C ATOM 1841 NZ LYS A 271 29.411 40.237 85.850 1.00 41.08 MOL1 N ATOM 1842 H LYS A 271 33.379 45.660 88.253 1.00 0.00 MOL1 H ATOM 1843 1HZ LYS A 271 30.370 40.496 85.547 1.00 0.00 MOL1 H ATOM 1844 2HZ LYS A 271 29.150 39.309 85.457 1.00 0.00 MOL1 H ATOM 1845 3HZ LYS A 271 28.740 40.953 85.508 1.00 0.00 MOL1 H ATOM 1846 N LYS A 272 29.713 45.776 88.787 1.00 37.21 MOL1 N ATOM 1847 CA LYS A 272 28.964 46.519 89.804 1.00 39.87 MOL1 C ATOM 1848 C LYS A 272 28.788 45.418 90.837 1.00 40.15 MOL1 C ATOM 1849 O LYS A 272 28.375 44.296 90.498 1.00 41.17 MOL1 O ATOM 1850 CB LYS A 272 27.570 47.003 89.252 1.00 42.15 MOL1 C ATOM 1851 CG LYS A 272 26.933 48.345 89.728 1.00 44.37 MOL1 C ATOM 1852 CD LYS A 272 25.806 48.911 88.791 1.00 48.22 MOL1 C ATOM 1853 CE LYS A 272 26.260 49.185 87.303 1.00 50.99 MOL1 C ATOM 1854 NZ LYS A 272 25.403 50.066 86.507 1.00 50.71 MOL1 N ATOM 1855 H LYS A 272 29.259 45.540 87.957 1.00 0.00 MOL1 H ATOM 1856 1HZ LYS A 272 24.451 49.651 86.455 1.00 0.00 MOL1 H ATOM 1857 2HZ LYS A 272 25.344 51.000 86.958 1.00 0.00 MOL1 H ATOM 1858 3HZ LYS A 272 25.789 50.166 85.547 1.00 0.00 MOL1 H ATOM 1859 N LEU A 273 29.327 45.714 92.020 1.00 41.40 MOL1 N ATOM 1860 CA LEU A 273 29.255 44.827 93.195 1.00 42.85 MOL1 C ATOM 1861 C LEU A 273 28.065 45.189 94.060 1.00 44.76 MOL1 C ATOM 1862 O LEU A 273 27.503 44.325 94.745 1.00 44.83 MOL1 O ATOM 1863 CB LEU A 273 30.520 44.889 94.112 1.00 39.94 MOL1 C ATOM 1864 CG LEU A 273 31.745 44.055 93.714 1.00 37.91 MOL1 C ATOM 1865 CD1 LEU A 273 32.840 44.356 94.676 1.00 35.96 MOL1 C ATOM 1866 CD2 LEU A 273 31.418 42.574 93.685 1.00 36.67 MOL1 C ATOM 1867 H LEU A 273 29.814 46.561 92.102 1.00 0.00 MOL1 H ATOM 1868 N GLY A 274 27.684 46.470 94.058 1.00 47.53 MOL1 N ATOM 1869 CA GLY A 274 26.480 46.894 94.747 1.00 51.40 MOL1 C ATOM 1870 C GLY A 274 26.250 48.405 94.668 1.00 55.15 MOL1 C ATOM 1871 O GLY A 274 27.192 49.186 94.427 1.00 54.84 MOL1 O ATOM 1872 H GLY A 274 28.226 47.138 93.581 1.00 0.00 MOL1 H ATOM 1873 N ALA A 275 24.955 48.745 94.828 1.00 56.74 MOL1 N ATOM 1874 CA ALA A 275 24.513 50.112 94.971 1.00 57.94 MOL1 C ATOM 1875 C ALA A 275 24.411 50.327 96.497 1.00 59.62 MOL1 C ATOM 1876 O ALA A 275 24.002 49.483 97.308 1.00 58.78 MOL1 O ATOM 1877 CB ALA A 275 23.130 50.317 94.349 1.00 57.80 MOL1 C ATOM 1878 H ALA A 275 24.310 48.047 95.056 1.00 0.00 MOL1 H ATOM 1879 N GLY A 276 24.965 51.449 96.899 1.00 61.65 MOL1 N ATOM 1880 CA GLY A 276 24.782 51.954 98.241 1.00 62.54 MOL1 C ATOM 1881 C GLY A 276 23.782 53.073 97.941 1.00 63.84 MOL1 C ATOM 1882 O GLY A 276 23.267 53.229 96.813 1.00 63.51 MOL1 O ATOM 1883 H GLY A 276 25.285 52.053 96.198 1.00 0.00 MOL1 H ATOM 1884 N GLN A 277 23.489 53.915 98.923 1.00 63.86 MOL1 N ATOM 1885 CA GLN A 277 22.560 55.009 98.628 1.00 62.88 MOL1 C ATOM 1886 C GLN A 277 23.281 56.133 97.899 1.00 60.03 MOL1 C ATOM 1887 O GLN A 277 22.781 56.782 96.993 1.00 57.93 MOL1 O ATOM 1888 CB GLN A 277 21.957 55.545 99.936 1.00 65.62 MOL1 C ATOM 1889 H GLN A 277 23.814 53.748 99.826 1.00 0.00 MOL1 H ATOM 1890 N PHE A 278 24.520 56.338 98.291 1.00 58.11 MOL1 N ATOM 1891 CA PHE A 278 25.275 57.433 97.727 1.00 58.70 MOL1 C ATOM 1892 C PHE A 278 26.404 56.948 96.825 1.00 54.85 MOL1 C ATOM 1893 O PHE A 278 27.414 57.621 96.580 1.00 54.62 MOL1 O ATOM 1894 CB PHE A 278 25.807 58.297 98.903 1.00 64.16 MOL1 C ATOM 1895 CG PHE A 278 24.677 58.753 99.833 1.00 69.54 MOL1 C ATOM 1896 CD1 PHE A 278 23.544 59.390 99.289 1.00 72.47 MOL1 C ATOM 1897 CD2 PHE A 278 24.723 58.479 101.213 1.00 71.57 MOL1 C ATOM 1898 CE1 PHE A 278 22.458 59.739 100.113 1.00 74.90 MOL1 C ATOM 1899 CE2 PHE A 278 23.633 58.834 102.027 1.00 73.64 MOL1 C ATOM 1900 CZ PHE A 278 22.498 59.457 101.484 1.00 74.19 MOL1 C ATOM 1901 H PHE A 278 24.940 55.746 98.940 1.00 0.00 MOL1 H ATOM 1902 N GLY A 279 26.237 55.780 96.241 1.00 50.45 MOL1 N ATOM 1903 CA GLY A 279 27.349 55.230 95.529 1.00 43.38 MOL1 C ATOM 1904 C GLY A 279 27.006 53.882 95.007 1.00 39.14 MOL1 C ATOM 1905 O GLY A 279 25.853 53.435 94.950 1.00 36.52 MOL1 O ATOM 1906 H GLY A 279 25.354 55.357 96.152 1.00 0.00 MOL1 H ATOM 1907 N GLU A 280 28.147 53.320 94.672 1.00 36.30 MOL1 N ATOM 1908 CA GLU A 280 28.246 52.069 93.985 1.00 35.01 MOL1 C ATOM 1909 C GLU A 280 29.594 51.567 94.368 1.00 33.89 MOL1 C ATOM 1910 O GLU A 280 30.496 52.341 94.688 1.00 33.19 MOL1 O ATOM 1911 CB GLU A 280 28.236 52.241 92.486 1.00 37.67 MOL1 C ATOM 1912 CG GLU A 280 26.966 52.824 91.841 1.00 37.74 MOL1 C ATOM 1913 CD GLU A 280 27.262 53.497 90.525 1.00 36.58 MOL1 C ATOM 1914 OE1 GLU A 280 27.821 54.623 90.560 1.00 35.05 MOL1 O ATOM 1915 OE2 GLU A 280 26.911 52.859 89.519 1.00 34.40 MOL1 O ATOM 1916 H GLU A 280 29.000 53.749 94.907 1.00 0.00 MOL1 H ATOM 1917 N VAL A 281 29.716 50.269 94.359 1.00 34.36 MOL1 N ATOM 1918 CA VAL A 281 30.953 49.620 94.737 1.00 36.98 MOL1 C ATOM 1919 C VAL A 281 31.228 48.813 93.503 1.00 37.55 MOL1 C ATOM 1920 O VAL A 281 30.285 48.221 92.968 1.00 39.68 MOL1 O ATOM 1921 CB VAL A 281 30.835 48.604 95.884 1.00 37.66 MOL1 C ATOM 1922 CG1 VAL A 281 32.254 48.175 96.212 1.00 37.69 MOL1 C ATOM 1923 CG2 VAL A 281 30.151 49.164 97.122 1.00 39.38 MOL1 C ATOM 1924 H VAL A 281 29.004 49.717 93.987 1.00 0.00 MOL1 H ATOM 1925 N TRP A 282 32.443 48.682 93.036 1.00 36.76 MOL1 N ATOM 1926 CA TRP A 282 32.667 47.973 91.798 1.00 36.94 MOL1 C ATOM 1927 C TRP A 282 33.944 47.223 92.019 1.00 37.12 MOL1 C ATOM 1928 O TRP A 282 34.838 47.789 92.673 1.00 40.41 MOL1 O ATOM 1929 CB TRP A 282 32.905 48.930 90.614 1.00 38.47 MOL1 C ATOM 1930 CG TRP A 282 31.724 49.658 89.973 1.00 38.35 MOL1 C ATOM 1931 CD1 TRP A 282 31.064 50.710 90.548 1.00 37.85 MOL1 C ATOM 1932 CD2 TRP A 282 31.252 49.374 88.738 1.00 38.95 MOL1 C ATOM 1933 NE1 TRP A 282 30.176 51.085 89.677 1.00 38.44 MOL1 N ATOM 1934 CE2 TRP A 282 30.249 50.311 88.587 1.00 39.31 MOL1 C ATOM 1935 CE3 TRP A 282 31.537 48.457 87.740 1.00 40.08 MOL1 C ATOM 1936 CZ2 TRP A 282 29.529 50.335 87.402 1.00 40.80 MOL1 C ATOM 1937 CZ3 TRP A 282 30.817 48.481 86.555 1.00 40.28 MOL1 C ATOM 1938 CH2 TRP A 282 29.811 49.418 86.387 1.00 41.13 MOL1 C ATOM 1939 H TRP A 282 33.210 49.109 93.475 1.00 0.00 MOL1 H ATOM 1940 HE1 TRP A 282 29.595 51.866 89.789 1.00 0.00 MOL1 H ATOM 1941 N MET A 283 34.097 45.999 91.516 1.00 35.81 MOL1 N ATOM 1942 CA MET A 283 35.399 45.319 91.590 1.00 34.28 MOL1 C ATOM 1943 C MET A 283 36.237 45.982 90.514 1.00 33.17 MOL1 C ATOM 1944 O MET A 283 35.610 46.475 89.575 1.00 35.23 MOL1 O ATOM 1945 CB MET A 283 35.255 43.850 91.258 1.00 35.07 MOL1 C ATOM 1946 CG MET A 283 36.571 43.099 91.216 1.00 34.03 MOL1 C ATOM 1947 SD MET A 283 37.046 42.586 89.559 1.00 33.41 MOL1 S ATOM 1948 CE MET A 283 36.308 41.055 90.048 1.00 36.38 MOL1 C ATOM 1949 H MET A 283 33.370 45.614 90.985 1.00 0.00 MOL1 H ATOM 1950 N ALA A 284 37.555 46.027 90.467 1.00 31.15 MOL1 N ATOM 1951 CA ALA A 284 38.225 46.723 89.397 1.00 29.83 MOL1 C ATOM 1952 C ALA A 284 39.657 46.288 89.372 1.00 31.19 MOL1 C ATOM 1953 O ALA A 284 40.079 45.414 90.149 1.00 31.24 MOL1 O ATOM 1954 CB ALA A 284 38.172 48.204 89.659 1.00 28.93 MOL1 C ATOM 1955 H ALA A 284 38.093 45.547 91.134 1.00 0.00 MOL1 H ATOM 1956 N THR A 285 40.408 46.985 88.519 1.00 32.44 MOL1 N ATOM 1957 CA THR A 285 41.828 46.769 88.346 1.00 32.30 MOL1 C ATOM 1958 C THR A 285 42.573 48.073 88.259 1.00 31.15 MOL1 C ATOM 1959 O THR A 285 42.125 49.036 87.648 1.00 32.97 MOL1 O ATOM 1960 CB THR A 285 42.104 45.976 87.072 1.00 33.36 MOL1 C ATOM 1961 OG1 THR A 285 41.214 44.849 87.065 1.00 36.35 MOL1 O ATOM 1962 CG2 THR A 285 43.552 45.506 87.006 1.00 33.49 MOL1 C ATOM 1963 H THR A 285 39.984 47.633 87.923 1.00 0.00 MOL1 H ATOM 1964 HG1 THR A 285 41.152 44.489 87.957 1.00 0.00 MOL1 H ATOM 1965 N TYR A 286 43.713 48.076 88.917 1.00 30.57 MOL1 N ATOM 1966 CA TYR A 286 44.644 49.172 88.910 1.00 30.14 MOL1 C ATOM 1967 C TYR A 286 45.849 48.815 88.038 1.00 32.10 MOL1 C ATOM 1968 O TYR A 286 46.639 47.904 88.349 1.00 31.83 MOL1 O ATOM 1969 CB TYR A 286 45.075 49.439 90.325 1.00 25.35 MOL1 C ATOM 1970 CG TYR A 286 45.934 50.661 90.412 1.00 23.36 MOL1 C ATOM 1971 CD1 TYR A 286 45.354 51.926 90.570 1.00 20.69 MOL1 C ATOM 1972 CD2 TYR A 286 47.311 50.480 90.302 1.00 23.51 MOL1 C ATOM 1973 CE1 TYR A 286 46.187 53.040 90.613 1.00 21.75 MOL1 C ATOM 1974 CE2 TYR A 286 48.136 51.600 90.339 1.00 24.41 MOL1 C ATOM 1975 CZ TYR A 286 47.582 52.870 90.500 1.00 23.50 MOL1 C ATOM 1976 OH TYR A 286 48.470 53.937 90.533 1.00 24.82 MOL1 O ATOM 1977 H TYR A 286 43.909 47.335 89.517 1.00 0.00 MOL1 H ATOM 1978 HH TYR A 286 48.094 54.625 91.089 1.00 0.00 MOL1 H ATOM 1979 N ASN A 287 45.962 49.589 86.955 1.00 33.62 MOL1 N ATOM 1980 CA ASN A 287 47.015 49.511 85.954 1.00 36.31 MOL1 C ATOM 1981 C ASN A 287 47.258 48.110 85.515 1.00 38.49 MOL1 C ATOM 1982 O ASN A 287 48.209 47.426 85.855 1.00 37.46 MOL1 O ATOM 1983 CB ASN A 287 48.333 50.068 86.462 1.00 34.91 MOL1 C ATOM 1984 CG ASN A 287 48.232 51.529 86.798 1.00 34.48 MOL1 C ATOM 1985 OD1 ASN A 287 47.191 52.165 86.725 1.00 33.29 MOL1 O ATOM 1986 ND2 ASN A 287 49.304 52.130 87.233 1.00 35.83 MOL1 N ATOM 1987 H ASN A 287 45.294 50.297 86.858 1.00 0.00 MOL1 H ATOM 1988 1HD2 ASN A 287 49.209 53.077 87.461 1.00 0.00 MOL1 H ATOM 1989 2HD2 ASN A 287 50.142 51.633 87.316 1.00 0.00 MOL1 H ATOM 1990 N LYS A 288 46.216 47.661 84.862 1.00 44.81 MOL1 N ATOM 1991 CA LYS A 288 46.144 46.337 84.270 1.00 51.62 MOL1 C ATOM 1992 C LYS A 288 46.697 45.156 85.082 1.00 53.61 MOL1 C ATOM 1993 O LYS A 288 47.087 44.167 84.463 1.00 54.53 MOL1 O ATOM 1994 CB LYS A 288 46.825 46.447 82.884 1.00 53.85 MOL1 C ATOM 1995 CG LYS A 288 46.030 47.394 81.951 1.00 58.56 MOL1 C ATOM 1996 CD LYS A 288 46.862 48.147 80.890 1.00 61.57 MOL1 C ATOM 1997 CE LYS A 288 47.828 47.277 80.053 1.00 64.35 MOL1 C ATOM 1998 NZ LYS A 288 47.182 46.236 79.262 1.00 64.07 MOL1 N ATOM 1999 H LYS A 288 45.455 48.270 84.751 1.00 0.00 MOL1 H ATOM 2000 1HZ LYS A 288 46.599 45.636 79.881 1.00 0.00 MOL1 H ATOM 2001 2HZ LYS A 288 46.581 46.666 78.527 1.00 0.00 MOL1 H ATOM 2002 3HZ LYS A 288 47.907 45.650 78.800 1.00 0.00 MOL1 H ATOM 2003 N HIS A 289 46.804 45.170 86.426 1.00 56.18 MOL1 N ATOM 2004 CA HIS A 289 47.324 44.007 87.183 1.00 59.72 MOL1 C ATOM 2005 C HIS A 289 46.694 43.726 88.568 1.00 58.28 MOL1 C ATOM 2006 O HIS A 289 46.175 42.655 88.940 1.00 58.33 MOL1 O ATOM 2007 CB HIS A 289 48.852 44.141 87.422 1.00 65.28 MOL1 C ATOM 2008 CG HIS A 289 49.778 44.086 86.198 1.00 70.85 MOL1 C ATOM 2009 ND1 HIS A 289 50.574 45.040 85.681 1.00 73.18 MOL1 N ATOM 2010 CD2 HIS A 289 49.922 42.967 85.399 1.00 73.60 MOL1 C ATOM 2011 CE1 HIS A 289 51.182 44.550 84.616 1.00 74.06 MOL1 C ATOM 2012 NE2 HIS A 289 50.779 43.302 84.460 1.00 75.59 MOL1 N ATOM 2013 H HIS A 289 46.641 46.015 86.891 1.00 0.00 MOL1 H ATOM 2014 HD1 HIS A 289 50.588 45.986 85.967 1.00 0.00 MOL1 H ATOM 2015 HE2 HIS A 289 51.051 42.697 83.737 1.00 0.00 MOL1 H ATOM 2016 N THR A 290 46.735 44.806 89.322 1.00 54.46 MOL1 N ATOM 2017 CA THR A 290 46.338 44.876 90.708 1.00 50.58 MOL1 C ATOM 2018 C THR A 290 44.812 44.852 90.898 1.00 45.85 MOL1 C ATOM 2019 O THR A 290 44.180 45.837 90.532 1.00 43.91 MOL1 O ATOM 2020 CB THR A 290 47.012 46.175 91.215 1.00 52.78 MOL1 C ATOM 2021 OG1 THR A 290 48.160 46.487 90.375 1.00 54.90 MOL1 O ATOM 2022 CG2 THR A 290 47.397 46.024 92.676 1.00 53.12 MOL1 C ATOM 2023 H THR A 290 47.045 45.646 88.933 1.00 0.00 MOL1 H ATOM 2024 HG1 THR A 290 47.900 47.183 89.752 1.00 0.00 MOL1 H ATOM 2025 N LYS A 291 44.112 43.823 91.364 1.00 42.25 MOL1 N ATOM 2026 CA LYS A 291 42.660 43.933 91.584 1.00 39.36 MOL1 C ATOM 2027 C LYS A 291 42.420 44.886 92.767 1.00 38.39 MOL1 C ATOM 2028 O LYS A 291 43.299 45.016 93.633 1.00 38.32 MOL1 O ATOM 2029 CB LYS A 291 42.045 42.578 91.936 1.00 37.33 MOL1 C ATOM 2030 CG LYS A 291 40.594 42.476 91.565 1.00 32.67 MOL1 C ATOM 2031 CD LYS A 291 40.012 41.227 92.169 1.00 31.32 MOL1 C ATOM 2032 CE LYS A 291 39.671 40.279 91.046 1.00 32.88 MOL1 C ATOM 2033 NZ LYS A 291 38.726 39.229 91.414 1.00 33.24 MOL1 N ATOM 2034 H LYS A 291 44.582 43.007 91.616 1.00 0.00 MOL1 H ATOM 2035 1HZ LYS A 291 39.120 38.643 92.176 1.00 0.00 MOL1 H ATOM 2036 2HZ LYS A 291 37.830 39.655 91.715 1.00 0.00 MOL1 H ATOM 2037 3HZ LYS A 291 38.562 38.633 90.580 1.00 0.00 MOL1 H ATOM 2038 N VAL A 292 41.305 45.612 92.848 1.00 34.27 MOL1 N ATOM 2039 CA VAL A 292 41.052 46.488 93.976 1.00 30.11 MOL1 C ATOM 2040 C VAL A 292 39.557 46.526 94.066 1.00 30.18 MOL1 C ATOM 2041 O VAL A 292 38.865 45.665 93.525 1.00 30.62 MOL1 O ATOM 2042 CB VAL A 292 41.525 47.970 93.821 1.00 28.03 MOL1 C ATOM 2043 CG1 VAL A 292 43.033 48.044 93.929 1.00 27.47 MOL1 C ATOM 2044 CG2 VAL A 292 40.977 48.557 92.536 1.00 27.69 MOL1 C ATOM 2045 H VAL A 292 40.600 45.506 92.177 1.00 0.00 MOL1 H ATOM 2046 N ALA A 293 39.023 47.494 94.792 1.00 29.78 MOL1 N ATOM 2047 CA ALA A 293 37.605 47.740 94.779 1.00 28.08 MOL1 C ATOM 2048 C ALA A 293 37.549 49.239 94.952 1.00 28.20 MOL1 C ATOM 2049 O ALA A 293 38.424 49.862 95.573 1.00 26.82 MOL1 O ATOM 2050 CB ALA A 293 36.966 47.091 95.931 1.00 28.18 MOL1 C ATOM 2051 H ALA A 293 39.559 48.069 95.391 1.00 0.00 MOL1 H ATOM 2052 N VAL A 294 36.547 49.773 94.257 1.00 28.91 MOL1 N ATOM 2053 CA VAL A 294 36.273 51.207 94.185 1.00 30.26 MOL1 C ATOM 2054 C VAL A 294 34.822 51.563 94.609 1.00 32.95 MOL1 C ATOM 2055 O VAL A 294 33.835 50.899 94.217 1.00 31.20 MOL1 O ATOM 2056 CB VAL A 294 36.512 51.714 92.741 1.00 27.20 MOL1 C ATOM 2057 CG1 VAL A 294 36.914 53.141 92.844 1.00 25.59 MOL1 C ATOM 2058 CG2 VAL A 294 37.553 50.917 92.001 1.00 24.50 MOL1 C ATOM 2059 H VAL A 294 35.951 49.172 93.755 1.00 0.00 MOL1 H ATOM 2060 N LYS A 295 34.676 52.613 95.427 1.00 35.86 MOL1 N ATOM 2061 CA LYS A 295 33.371 53.095 95.876 1.00 40.07 MOL1 C ATOM 2062 C LYS A 295 33.264 54.376 95.076 1.00 40.87 MOL1 C ATOM 2063 O LYS A 295 34.211 55.181 95.081 1.00 39.22 MOL1 O ATOM 2064 CB LYS A 295 33.410 53.325 97.422 1.00 43.60 MOL1 C ATOM 2065 CG LYS A 295 32.091 53.722 98.080 1.00 47.16 MOL1 C ATOM 2066 CD LYS A 295 32.077 53.483 99.600 1.00 50.50 MOL1 C ATOM 2067 CE LYS A 295 30.748 53.967 100.286 1.00 54.73 MOL1 C ATOM 2068 NZ LYS A 295 29.521 53.228 99.954 1.00 55.49 MOL1 N ATOM 2069 H LYS A 295 35.483 53.092 95.703 1.00 0.00 MOL1 H ATOM 2070 1HZ LYS A 295 29.419 53.202 98.920 1.00 0.00 MOL1 H ATOM 2071 2HZ LYS A 295 29.627 52.256 100.310 1.00 0.00 MOL1 H ATOM 2072 3HZ LYS A 295 28.685 53.664 100.392 1.00 0.00 MOL1 H ATOM 2073 N THR A 296 32.198 54.498 94.283 1.00 43.17 MOL1 N ATOM 2074 CA THR A 296 32.025 55.635 93.391 1.00 45.96 MOL1 C ATOM 2075 C THR A 296 31.170 56.608 94.153 1.00 48.82 MOL1 C ATOM 2076 O THR A 296 30.175 56.147 94.728 1.00 48.77 MOL1 O ATOM 2077 CB THR A 296 31.310 55.248 92.042 1.00 44.87 MOL1 C ATOM 2078 OG1 THR A 296 30.049 54.669 92.337 1.00 46.41 MOL1 O ATOM 2079 CG2 THR A 296 32.098 54.224 91.236 1.00 43.86 MOL1 C ATOM 2080 H THR A 296 31.478 53.844 94.322 1.00 0.00 MOL1 H ATOM 2081 HG1 THR A 296 29.607 55.190 93.020 1.00 0.00 MOL1 H ATOM 2082 N MET A 297 31.468 57.907 94.161 1.00 53.03 MOL1 N ATOM 2083 CA MET A 297 30.691 58.841 94.956 1.00 57.04 MOL1 C ATOM 2084 C MET A 297 29.893 59.910 94.241 1.00 61.27 MOL1 C ATOM 2085 O MET A 297 30.493 60.833 93.673 1.00 62.31 MOL1 O ATOM 2086 CB MET A 297 31.637 59.480 95.933 1.00 55.13 MOL1 C ATOM 2087 CG MET A 297 31.950 58.493 97.059 1.00 54.56 MOL1 C ATOM 2088 SD MET A 297 30.623 58.246 98.274 1.00 50.20 MOL1 S ATOM 2089 CE MET A 297 30.052 56.599 97.942 1.00 52.69 MOL1 C ATOM 2090 H MET A 297 32.255 58.248 93.686 1.00 0.00 MOL1 H ATOM 2091 N LYS A 298 28.553 59.807 94.331 1.00 66.80 MOL1 N ATOM 2092 CA LYS A 298 27.581 60.679 93.646 1.00 73.05 MOL1 C ATOM 2093 C LYS A 298 27.821 62.193 93.741 1.00 78.69 MOL1 C ATOM 2094 O LYS A 298 28.012 62.683 94.866 1.00 81.08 MOL1 O ATOM 2095 CB LYS A 298 26.170 60.381 94.172 1.00 70.95 MOL1 C ATOM 2096 CG LYS A 298 25.568 59.131 93.562 1.00 70.02 MOL1 C ATOM 2097 CD LYS A 298 24.213 58.796 94.159 1.00 69.48 MOL1 C ATOM 2098 CE LYS A 298 23.630 57.527 93.542 1.00 70.73 MOL1 C ATOM 2099 NZ LYS A 298 24.425 56.339 93.826 1.00 72.25 MOL1 N ATOM 2100 H LYS A 298 28.215 59.142 94.972 1.00 0.00 MOL1 H ATOM 2101 1HZ LYS A 298 24.495 56.193 94.855 1.00 0.00 MOL1 H ATOM 2102 2HZ LYS A 298 23.983 55.508 93.385 1.00 0.00 MOL1 H ATOM 2103 3HZ LYS A 298 25.376 56.468 93.427 1.00 0.00 MOL1 H ATOM 2104 N PRO A 299 27.843 63.004 92.655 1.00 83.08 MOL1 N ATOM 2105 CA PRO A 299 28.494 64.312 92.656 1.00 85.48 MOL1 C ATOM 2106 C PRO A 299 27.716 65.250 93.586 1.00 87.99 MOL1 C ATOM 2107 O PRO A 299 26.475 65.251 93.585 1.00 88.23 MOL1 O ATOM 2108 CB PRO A 299 28.479 64.725 91.191 1.00 85.73 MOL1 C ATOM 2109 CG PRO A 299 27.911 63.548 90.405 1.00 85.04 MOL1 C ATOM 2110 CD PRO A 299 27.030 62.860 91.441 1.00 83.79 MOL1 C ATOM 2111 N GLY A 300 28.423 65.996 94.445 1.00 89.74 MOL1 N ATOM 2112 CA GLY A 300 27.778 66.903 95.383 1.00 92.14 MOL1 C ATOM 2113 C GLY A 300 27.317 66.228 96.680 1.00 93.85 MOL1 C ATOM 2114 O GLY A 300 26.782 66.941 97.538 1.00 94.64 MOL1 O ATOM 2115 H GLY A 300 29.393 65.926 94.468 1.00 0.00 MOL1 H ATOM 2116 N SER A 301 27.503 64.900 96.872 1.00 94.41 MOL1 N ATOM 2117 CA SER A 301 27.179 64.218 98.130 1.00 94.52 MOL1 C ATOM 2118 C SER A 301 28.159 64.607 99.243 1.00 94.69 MOL1 C ATOM 2119 O SER A 301 27.890 64.459 100.444 1.00 94.45 MOL1 O ATOM 2120 CB SER A 301 27.229 62.692 97.967 1.00 94.86 MOL1 C ATOM 2121 OG SER A 301 26.333 62.133 97.011 1.00 94.89 MOL1 O ATOM 2122 H SER A 301 27.803 64.340 96.128 1.00 0.00 MOL1 H ATOM 2123 HG SER A 301 26.743 62.231 96.150 1.00 0.00 MOL1 H ATOM 2124 N MET A 302 29.342 65.058 98.836 1.00 95.15 MOL1 N ATOM 2125 CA MET A 302 30.321 65.612 99.746 1.00 96.26 MOL1 C ATOM 2126 C MET A 302 31.219 66.510 98.910 1.00 96.48 MOL1 C ATOM 2127 O MET A 302 31.372 66.299 97.689 1.00 96.33 MOL1 O ATOM 2128 CB MET A 302 31.163 64.518 100.405 1.00 96.42 MOL1 C ATOM 2129 CG MET A 302 31.998 63.689 99.456 1.00 96.81 MOL1 C ATOM 2130 SD MET A 302 33.041 62.512 100.339 1.00 95.50 MOL1 S ATOM 2131 CE MET A 302 31.914 61.154 100.348 1.00 97.27 MOL1 C ATOM 2132 H MET A 302 29.567 65.060 97.883 1.00 0.00 MOL1 H ATOM 2133 N SER A 303 31.750 67.560 99.541 1.00 96.27 MOL1 N ATOM 2134 CA SER A 303 32.671 68.428 98.840 1.00 95.81 MOL1 C ATOM 2135 C SER A 303 33.985 67.734 99.072 1.00 94.48 MOL1 C ATOM 2136 O SER A 303 34.342 67.378 100.201 1.00 92.66 MOL1 O ATOM 2137 CB SER A 303 32.706 69.834 99.436 1.00 95.89 MOL1 C ATOM 2138 OG SER A 303 31.445 70.480 99.322 1.00 95.08 MOL1 O ATOM 2139 H SER A 303 31.562 67.717 100.489 1.00 0.00 MOL1 H ATOM 2140 HG SER A 303 31.126 70.485 98.418 1.00 0.00 MOL1 H ATOM 2141 N VAL A 304 34.667 67.589 97.942 1.00 94.58 MOL1 N ATOM 2142 CA VAL A 304 35.933 66.899 97.869 1.00 95.29 MOL1 C ATOM 2143 C VAL A 304 36.855 67.280 99.017 1.00 95.83 MOL1 C ATOM 2144 O VAL A 304 37.487 66.395 99.577 1.00 95.99 MOL1 O ATOM 2145 CB VAL A 304 36.582 67.193 96.460 1.00 95.82 MOL1 C ATOM 2146 CG1 VAL A 304 36.910 68.680 96.263 1.00 95.50 MOL1 C ATOM 2147 CG2 VAL A 304 37.838 66.332 96.325 1.00 95.06 MOL1 C ATOM 2148 H VAL A 304 34.263 67.908 97.109 1.00 0.00 MOL1 H ATOM 2149 N GLU A 305 36.864 68.548 99.450 1.00 95.66 MOL1 N ATOM 2150 CA GLU A 305 37.755 69.002 100.509 1.00 95.22 MOL1 C ATOM 2151 C GLU A 305 37.531 68.327 101.836 1.00 94.20 MOL1 C ATOM 2152 O GLU A 305 38.472 67.782 102.417 1.00 92.79 MOL1 O ATOM 2153 CB GLU A 305 37.644 70.536 100.695 1.00 97.53 MOL1 C ATOM 2154 CG GLU A 305 36.265 71.243 100.791 1.00 99.61 MOL1 C ATOM 2155 CD GLU A 305 35.840 72.151 99.616 1.00100.00 MOL1 C ATOM 2156 OE1 GLU A 305 36.185 71.888 98.452 1.00100.00 MOL1 O ATOM 2157 OE2 GLU A 305 35.136 73.130 99.881 1.00 99.50 MOL1 O ATOM 2158 H GLU A 305 36.320 69.198 98.969 1.00 0.00 MOL1 H ATOM 2159 N ALA A 306 36.250 68.292 102.224 1.00 94.23 MOL1 N ATOM 2160 CA ALA A 306 35.801 67.703 103.487 1.00 94.57 MOL1 C ATOM 2161 C ALA A 306 36.254 66.256 103.574 1.00 94.38 MOL1 C ATOM 2162 O ALA A 306 36.781 65.747 104.564 1.00 94.40 MOL1 O ATOM 2163 CB ALA A 306 34.270 67.734 103.580 1.00 93.93 MOL1 C ATOM 2164 H ALA A 306 35.572 68.629 101.609 1.00 0.00 MOL1 H ATOM 2165 N PHE A 307 36.090 65.658 102.408 1.00 94.48 MOL1 N ATOM 2166 CA PHE A 307 36.451 64.303 102.173 1.00 93.90 MOL1 C ATOM 2167 C PHE A 307 37.949 64.094 102.117 1.00 93.19 MOL1 C ATOM 2168 O PHE A 307 38.417 63.245 102.862 1.00 93.55 MOL1 O ATOM 2169 CB PHE A 307 35.819 63.857 100.884 1.00 95.82 MOL1 C ATOM 2170 CG PHE A 307 36.364 62.504 100.483 1.00 98.18 MOL1 C ATOM 2171 CD1 PHE A 307 36.199 61.396 101.324 1.00 99.46 MOL1 C ATOM 2172 CD2 PHE A 307 37.114 62.400 99.314 1.00 99.50 MOL1 C ATOM 2173 CE1 PHE A 307 36.800 60.181 100.995 1.00 99.69 MOL1 C ATOM 2174 CE2 PHE A 307 37.706 61.180 98.999 1.00100.00 MOL1 C ATOM 2175 CZ PHE A 307 37.556 60.073 99.834 1.00 99.57 MOL1 C ATOM 2176 H PHE A 307 35.722 66.176 101.665 1.00 0.00 MOL1 H ATOM 2177 N LEU A 308 38.762 64.759 101.309 1.00 92.67 MOL1 N ATOM 2178 CA LEU A 308 40.181 64.463 101.242 1.00 92.86 MOL1 C ATOM 2179 C LEU A 308 40.809 64.689 102.606 1.00 92.85 MOL1 C ATOM 2180 O LEU A 308 41.836 64.102 102.973 1.00 92.27 MOL1 O ATOM 2181 CB LEU A 308 40.838 65.343 100.185 1.00 93.57 MOL1 C ATOM 2182 CG LEU A 308 42.376 65.349 100.062 1.00 94.91 MOL1 C ATOM 2183 CD1 LEU A 308 42.945 63.951 99.896 1.00 95.58 MOL1 C ATOM 2184 CD2 LEU A 308 42.755 66.149 98.845 1.00 95.92 MOL1 C ATOM 2185 H LEU A 308 38.412 65.537 100.852 1.00 0.00 MOL1 H ATOM 2186 N ALA A 309 40.145 65.552 103.355 1.00 93.20 MOL1 N ATOM 2187 CA ALA A 309 40.461 65.739 104.739 1.00 94.30 MOL1 C ATOM 2188 C ALA A 309 40.176 64.443 105.523 1.00 94.31 MOL1 C ATOM 2189 O ALA A 309 41.151 63.789 105.925 1.00 95.00 MOL1 O ATOM 2190 CB ALA A 309 39.616 66.880 105.259 1.00 95.21 MOL1 C ATOM 2191 H ALA A 309 39.462 66.124 102.943 1.00 0.00 MOL1 H ATOM 2192 N GLU A 310 38.913 63.975 105.693 1.00 93.45 MOL1 N ATOM 2193 CA GLU A 310 38.557 62.774 106.481 1.00 91.23 MOL1 C ATOM 2194 C GLU A 310 39.395 61.590 106.060 1.00 88.80 MOL1 C ATOM 2195 O GLU A 310 39.884 60.822 106.873 1.00 87.76 MOL1 O ATOM 2196 CB GLU A 310 37.071 62.389 106.308 1.00 92.26 MOL1 C ATOM 2197 CG GLU A 310 36.403 61.789 107.555 1.00 93.69 MOL1 C ATOM 2198 CD GLU A 310 36.065 62.797 108.665 1.00 95.50 MOL1 C ATOM 2199 OE1 GLU A 310 36.968 63.291 109.344 1.00 95.69 MOL1 O ATOM 2200 OE2 GLU A 310 34.887 63.094 108.867 1.00 95.97 MOL1 O ATOM 2201 H GLU A 310 38.189 64.478 105.260 1.00 0.00 MOL1 H ATOM 2202 N ALA A 311 39.636 61.547 104.763 1.00 87.00 MOL1 N ATOM 2203 CA ALA A 311 40.451 60.561 104.115 1.00 85.98 MOL1 C ATOM 2204 C ALA A 311 41.914 60.646 104.530 1.00 85.37 MOL1 C ATOM 2205 O ALA A 311 42.494 59.604 104.813 1.00 85.79 MOL1 O ATOM 2206 CB ALA A 311 40.328 60.753 102.627 1.00 85.88 MOL1 C ATOM 2207 H ALA A 311 39.245 62.264 104.226 1.00 0.00 MOL1 H ATOM 2208 N ASN A 312 42.592 61.790 104.642 1.00 85.10 MOL1 N ATOM 2209 CA ASN A 312 43.998 61.842 105.078 1.00 84.55 MOL1 C ATOM 2210 C ASN A 312 44.187 61.235 106.458 1.00 83.66 MOL1 C ATOM 2211 O ASN A 312 45.215 60.679 106.853 1.00 83.27 MOL1 O ATOM 2212 CB ASN A 312 44.508 63.270 105.154 1.00 85.73 MOL1 C ATOM 2213 CG ASN A 312 45.365 63.642 103.971 1.00 85.72 MOL1 C ATOM 2214 OD1 ASN A 312 46.573 63.851 104.086 1.00 85.25 MOL1 O ATOM 2215 ND2 ASN A 312 44.745 63.748 102.804 1.00 84.54 MOL1 N ATOM 2216 H ASN A 312 42.112 62.632 104.480 1.00 0.00 MOL1 H ATOM 2217 1HD2 ASN A 312 45.289 63.977 102.031 1.00 0.00 MOL1 H ATOM 2218 2HD2 ASN A 312 43.773 63.605 102.787 1.00 0.00 MOL1 H ATOM 2219 N VAL A 313 43.096 61.382 107.195 1.00 82.49 MOL1 N ATOM 2220 CA VAL A 313 42.954 60.823 108.509 1.00 81.07 MOL1 C ATOM 2221 C VAL A 313 42.758 59.314 108.331 1.00 78.76 MOL1 C ATOM 2222 O VAL A 313 43.609 58.552 108.776 1.00 77.39 MOL1 O ATOM 2223 CB VAL A 313 41.747 61.527 109.154 1.00 82.83 MOL1 C ATOM 2224 CG1 VAL A 313 41.508 60.977 110.543 1.00 85.60 MOL1 C ATOM 2225 CG2 VAL A 313 42.009 63.031 109.239 1.00 85.20 MOL1 C ATOM 2226 H VAL A 313 42.362 61.920 106.831 1.00 0.00 MOL1 H ATOM 2227 N MET A 314 41.717 58.827 107.640 1.00 76.25 MOL1 N ATOM 2228 CA MET A 314 41.416 57.406 107.460 1.00 73.46 MOL1 C ATOM 2229 C MET A 314 42.594 56.542 107.015 1.00 71.99 MOL1 C ATOM 2230 O MET A 314 42.748 55.424 107.484 1.00 70.80 MOL1 O ATOM 2231 CB MET A 314 40.247 57.243 106.448 1.00 73.34 MOL1 C ATOM 2232 CG MET A 314 38.835 57.605 106.968 1.00 74.68 MOL1 C ATOM 2233 SD MET A 314 37.370 57.224 105.939 1.00 75.32 MOL1 S ATOM 2234 CE MET A 314 36.673 58.816 105.607 1.00 75.31 MOL1 C ATOM 2235 H MET A 314 41.112 59.481 107.241 1.00 0.00 MOL1 H ATOM 2236 N LYS A 315 43.507 57.018 106.181 1.00 72.18 MOL1 N ATOM 2237 CA LYS A 315 44.654 56.247 105.724 1.00 72.61 MOL1 C ATOM 2238 C LYS A 315 45.690 56.031 106.835 1.00 72.50 MOL1 C ATOM 2239 O LYS A 315 46.667 55.282 106.691 1.00 73.96 MOL1 O ATOM 2240 CB LYS A 315 45.280 56.982 104.528 1.00 74.21 MOL1 C ATOM 2241 CG LYS A 315 45.840 58.372 104.883 1.00 77.19 MOL1 C ATOM 2242 CD LYS A 315 46.508 59.094 103.719 1.00 79.39 MOL1 C ATOM 2243 CE LYS A 315 47.283 60.355 104.137 1.00 80.31 MOL1 C ATOM 2244 NZ LYS A 315 48.010 60.863 102.983 1.00 80.38 MOL1 N ATOM 2245 H LYS A 315 43.374 57.929 105.835 1.00 0.00 MOL1 H ATOM 2246 1HZ LYS A 315 47.340 61.037 102.204 1.00 0.00 MOL1 H ATOM 2247 2HZ LYS A 315 48.519 61.742 103.203 1.00 0.00 MOL1 H ATOM 2248 3HZ LYS A 315 48.686 60.135 102.675 1.00 0.00 MOL1 H ATOM 2249 N THR A 316 45.508 56.703 107.966 1.00 71.11 MOL1 N ATOM 2250 CA THR A 316 46.368 56.582 109.136 1.00 69.97 MOL1 C ATOM 2251 C THR A 316 46.052 55.372 110.038 1.00 67.27 MOL1 C ATOM 2252 O THR A 316 46.916 54.798 110.717 1.00 67.81 MOL1 O ATOM 2253 CB THR A 316 46.224 57.918 109.883 1.00 72.32 MOL1 C ATOM 2254 OG1 THR A 316 46.563 58.917 108.905 1.00 75.02 MOL1 O ATOM 2255 CG2 THR A 316 47.032 57.997 111.185 1.00 74.41 MOL1 C ATOM 2256 H THR A 316 44.815 57.382 107.981 1.00 0.00 MOL1 H ATOM 2257 HG1 THR A 316 45.795 59.218 108.398 1.00 0.00 MOL1 H ATOM 2258 N LEU A 317 44.801 54.910 110.013 1.00 63.43 MOL1 N ATOM 2259 CA LEU A 317 44.292 53.856 110.871 1.00 58.31 MOL1 C ATOM 2260 C LEU A 317 44.640 52.461 110.386 1.00 56.82 MOL1 C ATOM 2261 O LEU A 317 43.782 51.595 110.346 1.00 57.39 MOL1 O ATOM 2262 CB LEU A 317 42.785 54.050 110.959 1.00 55.65 MOL1 C ATOM 2263 CG LEU A 317 42.206 55.140 111.883 1.00 55.34 MOL1 C ATOM 2264 CD1 LEU A 317 42.764 56.528 111.565 1.00 55.24 MOL1 C ATOM 2265 CD2 LEU A 317 40.680 55.114 111.734 1.00 53.09 MOL1 C ATOM 2266 H LEU A 317 44.203 55.237 109.306 1.00 0.00 MOL1 H ATOM 2267 N GLN A 318 45.871 52.123 110.038 1.00 56.18 MOL1 N ATOM 2268 CA GLN A 318 46.142 50.811 109.461 1.00 55.06 MOL1 C ATOM 2269 C GLN A 318 46.177 49.687 110.486 1.00 52.00 MOL1 C ATOM 2270 O GLN A 318 46.970 49.624 111.438 1.00 51.50 MOL1 O ATOM 2271 CB GLN A 318 47.468 50.794 108.731 1.00 57.46 MOL1 C ATOM 2272 CG GLN A 318 47.572 51.625 107.478 1.00 58.63 MOL1 C ATOM 2273 CD GLN A 318 48.863 51.283 106.743 1.00 61.26 MOL1 C ATOM 2274 OE1 GLN A 318 49.430 50.188 106.844 1.00 61.77 MOL1 O ATOM 2275 NE2 GLN A 318 49.360 52.229 105.961 1.00 62.63 MOL1 N ATOM 2276 H GLN A 318 46.620 52.696 110.307 1.00 0.00 MOL1 H ATOM 2277 1HE2 GLN A 318 50.214 52.047 105.529 1.00 0.00 MOL1 H ATOM 2278 2HE2 GLN A 318 48.848 53.061 105.879 1.00 0.00 MOL1 H ATOM 2279 N HIS A 319 45.288 48.750 110.226 1.00 48.34 MOL1 N ATOM 2280 CA HIS A 319 45.147 47.638 111.114 1.00 44.86 MOL1 C ATOM 2281 C HIS A 319 44.527 46.510 110.358 1.00 42.71 MOL1 C ATOM 2282 O HIS A 319 43.586 46.745 109.596 1.00 41.01 MOL1 O ATOM 2283 CB HIS A 319 44.263 48.061 112.256 1.00 46.42 MOL1 C ATOM 2284 CG HIS A 319 43.978 46.950 113.237 1.00 45.76 MOL1 C ATOM 2285 ND1 HIS A 319 42.787 46.537 113.605 1.00 45.33 MOL1 N ATOM 2286 CD2 HIS A 319 44.918 46.179 113.880 1.00 47.52 MOL1 C ATOM 2287 CE1 HIS A 319 42.956 45.549 114.449 1.00 45.93 MOL1 C ATOM 2288 NE2 HIS A 319 44.238 45.340 114.608 1.00 46.92 MOL1 N ATOM 2289 H HIS A 319 44.691 48.820 109.448 1.00 0.00 MOL1 H ATOM 2290 HD1 HIS A 319 41.919 46.933 113.343 1.00 0.00 MOL1 H ATOM 2291 HE2 HIS A 319 44.628 44.721 115.271 1.00 0.00 MOL1 H ATOM 2292 N ASP A 320 45.005 45.310 110.726 1.00 40.61 MOL1 N ATOM 2293 CA ASP A 320 44.550 44.095 110.061 1.00 40.66 MOL1 C ATOM 2294 C ASP A 320 43.058 43.962 109.840 1.00 38.55 MOL1 C ATOM 2295 O ASP A 320 42.659 43.577 108.760 1.00 39.79 MOL1 O ATOM 2296 CB ASP A 320 45.012 42.821 110.816 1.00 42.31 MOL1 C ATOM 2297 CG ASP A 320 44.599 41.454 110.199 1.00 44.57 MOL1 C ATOM 2298 OD1 ASP A 320 44.493 41.323 108.964 1.00 46.09 MOL1 O ATOM 2299 OD2 ASP A 320 44.383 40.507 110.969 1.00 44.02 MOL1 O ATOM 2300 H ASP A 320 45.782 45.232 111.311 1.00 0.00 MOL1 H ATOM 2301 N LYS A 321 42.226 44.312 110.805 1.00 37.10 MOL1 N ATOM 2302 CA LYS A 321 40.800 44.121 110.668 1.00 35.56 MOL1 C ATOM 2303 C LYS A 321 40.065 45.408 110.303 1.00 35.05 MOL1 C ATOM 2304 O LYS A 321 38.990 45.734 110.818 1.00 35.23 MOL1 O ATOM 2305 CB LYS A 321 40.241 43.523 111.973 1.00 37.09 MOL1 C ATOM 2306 CG LYS A 321 40.192 41.985 112.087 1.00 39.18 MOL1 C ATOM 2307 CD LYS A 321 41.441 41.186 112.504 1.00 40.36 MOL1 C ATOM 2308 CE LYS A 321 41.283 39.684 112.171 1.00 40.01 MOL1 C ATOM 2309 NZ LYS A 321 42.422 38.895 112.627 1.00 41.03 MOL1 N ATOM 2310 H LYS A 321 42.563 44.811 111.555 1.00 0.00 MOL1 H ATOM 2311 1HZ LYS A 321 42.547 39.039 113.652 1.00 0.00 MOL1 H ATOM 2312 2HZ LYS A 321 42.253 37.885 112.439 1.00 0.00 MOL1 H ATOM 2313 3HZ LYS A 321 43.280 39.217 112.132 1.00 0.00 MOL1 H ATOM 2314 N LEU A 322 40.667 46.220 109.447 1.00 34.91 MOL1 N ATOM 2315 CA LEU A 322 40.014 47.353 108.837 1.00 35.03 MOL1 C ATOM 2316 C LEU A 322 40.507 47.231 107.389 1.00 36.62 MOL1 C ATOM 2317 O LEU A 322 41.647 46.813 107.105 1.00 37.69 MOL1 O ATOM 2318 CB LEU A 322 40.490 48.594 109.544 1.00 35.03 MOL1 C ATOM 2319 CG LEU A 322 39.899 48.746 110.951 1.00 36.23 MOL1 C ATOM 2320 CD1 LEU A 322 40.535 49.944 111.619 1.00 35.70 MOL1 C ATOM 2321 CD2 LEU A 322 38.380 48.929 110.891 1.00 36.27 MOL1 C ATOM 2322 H LEU A 322 41.576 46.031 109.105 1.00 0.00 MOL1 H ATOM 2323 N VAL A 323 39.639 47.505 106.421 1.00 36.40 MOL1 N ATOM 2324 CA VAL A 323 39.957 47.264 105.025 1.00 36.93 MOL1 C ATOM 2325 C VAL A 323 40.915 48.290 104.387 1.00 39.12 MOL1 C ATOM 2326 O VAL A 323 40.482 49.413 104.126 1.00 43.44 MOL1 O ATOM 2327 CB VAL A 323 38.567 47.159 104.402 1.00 34.95 MOL1 C ATOM 2328 CG1 VAL A 323 37.893 48.495 104.211 1.00 35.47 MOL1 C ATOM 2329 CG2 VAL A 323 38.737 46.413 103.123 1.00 37.53 MOL1 C ATOM 2330 H VAL A 323 38.792 47.927 106.663 1.00 0.00 MOL1 H ATOM 2331 N LYS A 324 42.213 48.022 104.130 1.00 37.87 MOL1 N ATOM 2332 CA LYS A 324 43.161 49.004 103.628 1.00 37.02 MOL1 C ATOM 2333 C LYS A 324 42.624 49.978 102.593 1.00 38.64 MOL1 C ATOM 2334 O LYS A 324 42.139 49.599 101.519 1.00 37.92 MOL1 O ATOM 2335 CB LYS A 324 44.369 48.298 103.052 1.00 35.99 MOL1 C ATOM 2336 CG LYS A 324 45.572 48.016 103.968 1.00 40.27 MOL1 C ATOM 2337 CD LYS A 324 45.750 46.620 104.676 1.00 44.22 MOL1 C ATOM 2338 CE LYS A 324 44.855 46.153 105.924 1.00 45.77 MOL1 C ATOM 2339 NZ LYS A 324 44.785 47.068 107.070 1.00 41.53 MOL1 N ATOM 2340 H LYS A 324 42.566 47.193 104.494 1.00 0.00 MOL1 H ATOM 2341 1HZ LYS A 324 45.747 47.232 107.424 1.00 0.00 MOL1 H ATOM 2342 2HZ LYS A 324 44.364 47.973 106.779 1.00 0.00 MOL1 H ATOM 2343 3HZ LYS A 324 44.217 46.628 107.816 1.00 0.00 MOL1 H ATOM 2344 N LEU A 325 42.576 51.249 103.024 1.00 40.71 MOL1 N ATOM 2345 CA LEU A 325 42.174 52.376 102.175 1.00 42.08 MOL1 C ATOM 2346 C LEU A 325 43.472 52.612 101.392 1.00 43.94 MOL1 C ATOM 2347 O LEU A 325 44.541 52.623 102.024 1.00 46.71 MOL1 O ATOM 2348 CB LEU A 325 41.844 53.587 103.044 1.00 40.41 MOL1 C ATOM 2349 CG LEU A 325 40.801 54.698 102.713 1.00 40.93 MOL1 C ATOM 2350 CD1 LEU A 325 41.093 55.419 101.437 1.00 39.20 MOL1 C ATOM 2351 CD2 LEU A 325 39.446 54.059 102.569 1.00 42.68 MOL1 C ATOM 2352 H LEU A 325 42.925 51.450 103.916 1.00 0.00 MOL1 H ATOM 2353 N HIS A 326 43.441 52.752 100.057 1.00 43.16 MOL1 N ATOM 2354 CA HIS A 326 44.656 52.857 99.257 1.00 43.16 MOL1 C ATOM 2355 C HIS A 326 45.034 54.137 98.489 1.00 43.82 MOL1 C ATOM 2356 O HIS A 326 46.169 54.632 98.523 1.00 43.57 MOL1 O ATOM 2357 CB HIS A 326 44.622 51.749 98.267 1.00 42.97 MOL1 C ATOM 2358 CG HIS A 326 44.800 50.337 98.763 1.00 42.96 MOL1 C ATOM 2359 ND1 HIS A 326 44.137 49.262 98.328 1.00 42.92 MOL1 N ATOM 2360 CD2 HIS A 326 45.785 49.930 99.622 1.00 42.86 MOL1 C ATOM 2361 CE1 HIS A 326 44.690 48.205 98.878 1.00 42.00 MOL1 C ATOM 2362 NE2 HIS A 326 45.668 48.625 99.647 1.00 42.88 MOL1 N ATOM 2363 H HIS A 326 42.570 52.839 99.619 1.00 0.00 MOL1 H ATOM 2364 HD1 HIS A 326 43.299 49.264 97.801 1.00 0.00 MOL1 H ATOM 2365 HE2 HIS A 326 46.214 48.016 100.197 1.00 0.00 MOL1 H ATOM 2366 N ALA A 327 44.088 54.660 97.724 1.00 44.09 MOL1 N ATOM 2367 CA ALA A 327 44.275 55.842 96.898 1.00 44.35 MOL1 C ATOM 2368 C ALA A 327 42.878 56.367 96.620 1.00 45.70 MOL1 C ATOM 2369 O ALA A 327 41.856 55.729 96.949 1.00 44.84 MOL1 O ATOM 2370 CB ALA A 327 44.907 55.469 95.602 1.00 43.68 MOL1 C ATOM 2371 H ALA A 327 43.190 54.258 97.725 1.00 0.00 MOL1 H ATOM 2372 N VAL A 328 42.786 57.511 95.982 1.00 47.16 MOL1 N ATOM 2373 CA VAL A 328 41.489 58.124 95.785 1.00 49.68 MOL1 C ATOM 2374 C VAL A 328 41.492 58.951 94.507 1.00 50.62 MOL1 C ATOM 2375 O VAL A 328 42.561 59.420 94.088 1.00 51.13 MOL1 O ATOM 2376 CB VAL A 328 41.207 58.970 97.067 1.00 49.99 MOL1 C ATOM 2377 CG1 VAL A 328 42.102 60.198 97.151 1.00 50.58 MOL1 C ATOM 2378 CG2 VAL A 328 39.783 59.425 97.053 1.00 51.56 MOL1 C ATOM 2379 H VAL A 328 43.582 57.976 95.631 1.00 0.00 MOL1 H ATOM 2380 N VAL A 329 40.365 59.155 93.831 1.00 51.69 MOL1 N ATOM 2381 CA VAL A 329 40.418 60.015 92.673 1.00 53.34 MOL1 C ATOM 2382 C VAL A 329 39.676 61.266 93.085 1.00 55.84 MOL1 C ATOM 2383 O VAL A 329 38.467 61.316 93.354 1.00 55.58 MOL1 O ATOM 2384 CB VAL A 329 39.755 59.401 91.459 1.00 51.69 MOL1 C ATOM 2385 CG1 VAL A 329 40.069 60.375 90.335 1.00 53.18 MOL1 C ATOM 2386 CG2 VAL A 329 40.247 58.005 91.131 1.00 48.91 MOL1 C ATOM 2387 H VAL A 329 39.516 58.786 94.156 1.00 0.00 MOL1 H ATOM 2388 N THR A 330 40.555 62.242 93.163 1.00 57.79 MOL1 N ATOM 2389 CA THR A 330 40.221 63.546 93.645 1.00 59.75 MOL1 C ATOM 2390 C THR A 330 39.150 64.300 92.879 1.00 62.48 MOL1 C ATOM 2391 O THR A 330 38.291 64.935 93.482 1.00 63.53 MOL1 O ATOM 2392 CB THR A 330 41.548 64.314 93.701 1.00 58.84 MOL1 C ATOM 2393 OG1 THR A 330 42.642 63.589 93.110 1.00 58.70 MOL1 O ATOM 2394 CG2 THR A 330 41.816 64.589 95.141 1.00 59.52 MOL1 C ATOM 2395 H THR A 330 41.484 62.068 92.895 1.00 0.00 MOL1 H ATOM 2396 HG1 THR A 330 43.446 64.120 93.132 1.00 0.00 MOL1 H ATOM 2397 N LYS A 331 39.170 64.211 91.553 1.00 65.66 MOL1 N ATOM 2398 CA LYS A 331 38.294 65.009 90.695 1.00 69.18 MOL1 C ATOM 2399 C LYS A 331 36.886 64.454 90.756 1.00 69.24 MOL1 C ATOM 2400 O LYS A 331 36.729 63.273 90.452 1.00 69.54 MOL1 O ATOM 2401 CB LYS A 331 38.760 64.981 89.205 1.00 72.75 MOL1 C ATOM 2402 CG LYS A 331 40.127 65.596 88.789 1.00 75.56 MOL1 C ATOM 2403 CD LYS A 331 41.387 64.875 89.330 1.00 77.27 MOL1 C ATOM 2404 CE LYS A 331 42.306 65.780 90.179 1.00 78.46 MOL1 C ATOM 2405 NZ LYS A 331 41.624 66.437 91.297 1.00 77.86 MOL1 N ATOM 2406 H LYS A 331 39.651 63.463 91.150 1.00 0.00 MOL1 H ATOM 2407 1HZ LYS A 331 41.174 65.733 91.913 1.00 0.00 MOL1 H ATOM 2408 2HZ LYS A 331 42.306 66.996 91.849 1.00 0.00 MOL1 H ATOM 2409 3HZ LYS A 331 40.885 67.066 90.922 1.00 0.00 MOL1 H ATOM 2410 N GLU A 332 35.889 65.256 91.162 1.00 69.33 MOL1 N ATOM 2411 CA GLU A 332 34.513 64.773 91.250 1.00 69.16 MOL1 C ATOM 2412 C GLU A 332 34.021 64.090 89.976 1.00 67.49 MOL1 C ATOM 2413 O GLU A 332 34.467 64.484 88.902 1.00 69.09 MOL1 O ATOM 2414 CB GLU A 332 33.506 65.904 91.575 1.00 70.71 MOL1 C ATOM 2415 CG GLU A 332 33.413 66.336 93.044 1.00 71.62 MOL1 C ATOM 2416 CD GLU A 332 31.976 66.577 93.515 1.00 72.99 MOL1 C ATOM 2417 OE1 GLU A 332 31.287 65.589 93.780 1.00 73.94 MOL1 O ATOM 2418 OE2 GLU A 332 31.554 67.733 93.624 1.00 73.56 MOL1 O ATOM 2419 H GLU A 332 36.100 66.169 91.430 1.00 0.00 MOL1 H ATOM 2420 N PRO A 333 33.143 63.088 89.990 1.00 65.32 MOL1 N ATOM 2421 CA PRO A 333 32.729 62.326 91.160 1.00 63.42 MOL1 C ATOM 2422 C PRO A 333 33.906 61.616 91.805 1.00 61.55 MOL1 C ATOM 2423 O PRO A 333 34.793 61.171 91.112 1.00 62.03 MOL1 O ATOM 2424 CB PRO A 333 31.699 61.401 90.611 1.00 64.75 MOL1 C ATOM 2425 CG PRO A 333 32.148 61.175 89.200 1.00 65.29 MOL1 C ATOM 2426 CD PRO A 333 32.476 62.597 88.798 1.00 65.42 MOL1 C ATOM 2427 N ILE A 334 33.950 61.424 93.103 1.00 58.87 MOL1 N ATOM 2428 CA ILE A 334 35.160 60.932 93.753 1.00 56.27 MOL1 C ATOM 2429 C ILE A 334 35.228 59.404 93.804 1.00 53.00 MOL1 C ATOM 2430 O ILE A 334 34.174 58.766 93.931 1.00 53.29 MOL1 O ATOM 2431 CB ILE A 334 35.199 61.507 95.174 1.00 58.88 MOL1 C ATOM 2432 CG1 ILE A 334 34.713 62.970 95.300 1.00 59.83 MOL1 C ATOM 2433 CG2 ILE A 334 36.643 61.388 95.601 1.00 60.42 MOL1 C ATOM 2434 CD1 ILE A 334 33.208 63.160 95.662 1.00 58.77 MOL1 C ATOM 2435 H ILE A 334 33.112 61.476 93.604 1.00 0.00 MOL1 H ATOM 2436 N TYR A 335 36.380 58.736 93.733 1.00 48.73 MOL1 N ATOM 2437 CA TYR A 335 36.428 57.273 93.823 1.00 44.90 MOL1 C ATOM 2438 C TYR A 335 37.346 56.834 94.954 1.00 42.56 MOL1 C ATOM 2439 O TYR A 335 38.411 57.437 95.107 1.00 42.79 MOL1 O ATOM 2440 CB TYR A 335 36.955 56.680 92.541 1.00 45.70 MOL1 C ATOM 2441 CG TYR A 335 36.012 56.630 91.345 1.00 48.55 MOL1 C ATOM 2442 CD1 TYR A 335 34.705 57.139 91.385 1.00 49.61 MOL1 C ATOM 2443 CD2 TYR A 335 36.461 56.009 90.175 1.00 49.94 MOL1 C ATOM 2444 CE1 TYR A 335 33.848 57.023 90.290 1.00 49.18 MOL1 C ATOM 2445 CE2 TYR A 335 35.602 55.891 89.070 1.00 50.90 MOL1 C ATOM 2446 CZ TYR A 335 34.298 56.392 89.136 1.00 49.41 MOL1 C ATOM 2447 OH TYR A 335 33.430 56.222 88.073 1.00 49.40 MOL1 O ATOM 2448 H TYR A 335 37.208 59.252 93.622 1.00 0.00 MOL1 H ATOM 2449 HH TYR A 335 33.902 55.791 87.342 1.00 0.00 MOL1 H ATOM 2450 N ILE A 336 37.072 55.823 95.775 1.00 38.65 MOL1 N ATOM 2451 CA ILE A 336 37.968 55.448 96.881 1.00 35.96 MOL1 C ATOM 2452 C ILE A 336 38.458 54.039 96.588 1.00 33.95 MOL1 C ATOM 2453 O ILE A 336 37.637 53.180 96.261 1.00 33.89 MOL1 O ATOM 2454 CB ILE A 336 37.229 55.435 98.246 1.00 35.70 MOL1 C ATOM 2455 CG1 ILE A 336 36.694 56.807 98.639 1.00 32.34 MOL1 C ATOM 2456 CG2 ILE A 336 38.207 54.907 99.285 1.00 36.31 MOL1 C ATOM 2457 CD1 ILE A 336 35.173 56.803 98.948 1.00 28.74 MOL1 C ATOM 2458 H ILE A 336 36.242 55.315 95.634 1.00 0.00 MOL1 H ATOM 2459 N ILE A 337 39.740 53.763 96.730 1.00 31.64 MOL1 N ATOM 2460 CA ILE A 337 40.228 52.503 96.275 1.00 30.35 MOL1 C ATOM 2461 C ILE A 337 40.757 51.801 97.472 1.00 31.56 MOL1 C ATOM 2462 O ILE A 337 41.818 52.130 98.000 1.00 31.00 MOL1 O ATOM 2463 CB ILE A 337 41.298 52.749 95.235 1.00 29.98 MOL1 C ATOM 2464 CG1 ILE A 337 40.648 53.478 94.066 1.00 31.21 MOL1 C ATOM 2465 CG2 ILE A 337 41.920 51.450 94.751 1.00 28.57 MOL1 C ATOM 2466 CD1 ILE A 337 40.669 55.023 94.153 1.00 30.88 MOL1 C ATOM 2467 H ILE A 337 40.350 54.413 97.123 1.00 0.00 MOL1 H ATOM 2468 N THR A 338 39.978 50.845 97.937 1.00 32.61 MOL1 N ATOM 2469 CA THR A 338 40.297 50.079 99.131 1.00 30.49 MOL1 C ATOM 2470 C THR A 338 40.713 48.682 98.667 1.00 30.94 MOL1 C ATOM 2471 O THR A 338 40.744 48.422 97.460 1.00 31.32 MOL1 O ATOM 2472 CB THR A 338 39.039 50.109 99.955 1.00 29.72 MOL1 C ATOM 2473 OG1 THR A 338 38.118 49.308 99.230 1.00 28.63 MOL1 O ATOM 2474 CG2 THR A 338 38.439 51.514 100.129 1.00 27.41 MOL1 C ATOM 2475 H THR A 338 39.188 50.565 97.421 1.00 0.00 MOL1 H ATOM 2476 HG1 THR A 338 38.114 48.409 99.576 1.00 0.00 MOL1 H ATOM 2477 N GLU A 339 41.054 47.718 99.518 1.00 30.86 MOL1 N ATOM 2478 CA GLU A 339 41.561 46.438 99.033 1.00 30.03 MOL1 C ATOM 2479 C GLU A 339 40.429 45.551 98.603 1.00 29.31 MOL1 C ATOM 2480 O GLU A 339 39.332 45.769 99.113 1.00 28.72 MOL1 O ATOM 2481 CB GLU A 339 42.340 45.770 100.130 1.00 33.07 MOL1 C ATOM 2482 CG GLU A 339 41.590 45.415 101.423 1.00 37.22 MOL1 C ATOM 2483 CD GLU A 339 42.492 44.869 102.550 1.00 42.18 MOL1 C ATOM 2484 OE1 GLU A 339 43.270 43.915 102.332 1.00 44.21 MOL1 O ATOM 2485 OE2 GLU A 339 42.408 45.399 103.664 1.00 42.73 MOL1 O ATOM 2486 H GLU A 339 40.880 47.849 100.477 1.00 0.00 MOL1 H ATOM 2487 N PHE A 340 40.597 44.568 97.717 1.00 29.14 MOL1 N ATOM 2488 CA PHE A 340 39.430 43.757 97.364 1.00 28.93 MOL1 C ATOM 2489 C PHE A 340 39.252 42.663 98.421 1.00 28.10 MOL1 C ATOM 2490 O PHE A 340 40.224 42.018 98.835 1.00 29.05 MOL1 O ATOM 2491 CB PHE A 340 39.593 43.102 95.962 1.00 30.45 MOL1 C ATOM 2492 CG PHE A 340 38.392 42.242 95.489 1.00 32.87 MOL1 C ATOM 2493 CD1 PHE A 340 37.169 42.870 95.103 1.00 31.27 MOL1 C ATOM 2494 CD2 PHE A 340 38.487 40.816 95.453 1.00 31.75 MOL1 C ATOM 2495 CE1 PHE A 340 36.080 42.087 94.696 1.00 28.54 MOL1 C ATOM 2496 CE2 PHE A 340 37.385 40.043 95.043 1.00 29.44 MOL1 C ATOM 2497 CZ PHE A 340 36.188 40.683 94.677 1.00 29.80 MOL1 C ATOM 2498 H PHE A 340 41.491 44.324 97.398 1.00 0.00 MOL1 H ATOM 2499 N MET A 341 38.008 42.401 98.815 1.00 26.31 MOL1 N ATOM 2500 CA MET A 341 37.680 41.417 99.812 1.00 24.79 MOL1 C ATOM 2501 C MET A 341 36.789 40.443 99.084 1.00 21.98 MOL1 C ATOM 2502 O MET A 341 35.639 40.725 98.724 1.00 19.57 MOL1 O ATOM 2503 CB MET A 341 36.949 42.088 100.964 1.00 29.63 MOL1 C ATOM 2504 CG MET A 341 37.907 42.868 101.867 1.00 35.95 MOL1 C ATOM 2505 SD MET A 341 39.072 41.806 102.782 1.00 41.35 MOL1 S ATOM 2506 CE MET A 341 37.984 41.447 104.130 1.00 40.36 MOL1 C ATOM 2507 H MET A 341 37.272 42.766 98.292 1.00 0.00 MOL1 H ATOM 2508 N ALA A 342 37.371 39.267 98.924 1.00 20.69 MOL1 N ATOM 2509 CA ALA A 342 36.769 38.199 98.137 1.00 21.04 MOL1 C ATOM 2510 C ALA A 342 35.345 37.738 98.364 1.00 19.46 MOL1 C ATOM 2511 O ALA A 342 34.614 37.497 97.402 1.00 16.57 MOL1 O ATOM 2512 CB ALA A 342 37.638 36.956 98.214 1.00 21.67 MOL1 C ATOM 2513 H ALA A 342 38.263 39.152 99.300 1.00 0.00 MOL1 H ATOM 2514 N LYS A 343 34.903 37.592 99.603 1.00 21.15 MOL1 N ATOM 2515 CA LYS A 343 33.557 37.056 99.827 1.00 23.73 MOL1 C ATOM 2516 C LYS A 343 32.451 38.102 100.029 1.00 24.08 MOL1 C ATOM 2517 O LYS A 343 31.268 37.804 100.239 1.00 22.81 MOL1 O ATOM 2518 CB LYS A 343 33.696 36.020 100.997 1.00 23.62 MOL1 C ATOM 2519 CG LYS A 343 33.823 34.606 100.382 1.00 26.13 MOL1 C ATOM 2520 CD LYS A 343 34.584 33.533 101.177 1.00 28.45 MOL1 C ATOM 2521 CE LYS A 343 34.366 32.156 100.496 1.00 31.41 MOL1 C ATOM 2522 NZ LYS A 343 35.042 31.034 101.157 1.00 32.57 MOL1 N ATOM 2523 H LYS A 343 35.427 37.896 100.367 1.00 0.00 MOL1 H ATOM 2524 1HZ LYS A 343 36.048 31.261 101.305 1.00 0.00 MOL1 H ATOM 2525 2HZ LYS A 343 34.586 30.829 102.071 1.00 0.00 MOL1 H ATOM 2526 3HZ LYS A 343 34.968 30.198 100.544 1.00 0.00 MOL1 H ATOM 2527 N GLY A 344 32.816 39.371 99.854 1.00 25.51 MOL1 N ATOM 2528 CA GLY A 344 31.829 40.432 99.844 1.00 27.27 MOL1 C ATOM 2529 C GLY A 344 31.480 40.998 101.199 1.00 27.51 MOL1 C ATOM 2530 O GLY A 344 32.390 41.104 102.026 1.00 29.54 MOL1 O ATOM 2531 H GLY A 344 33.759 39.610 99.702 1.00 0.00 MOL1 H ATOM 2532 N SER A 345 30.200 41.401 101.390 1.00 25.90 MOL1 N ATOM 2533 CA SER A 345 29.728 41.936 102.654 1.00 22.05 MOL1 C ATOM 2534 C SER A 345 29.366 40.718 103.458 1.00 20.59 MOL1 C ATOM 2535 O SER A 345 28.956 39.670 102.941 1.00 17.64 MOL1 O ATOM 2536 CB SER A 345 28.483 42.811 102.516 1.00 23.85 MOL1 C ATOM 2537 OG SER A 345 27.161 42.251 102.383 1.00 26.80 MOL1 O ATOM 2538 H SER A 345 29.530 41.199 100.704 1.00 0.00 MOL1 H ATOM 2539 HG SER A 345 26.587 43.001 102.180 1.00 0.00 MOL1 H ATOM 2540 N LEU A 346 29.462 40.897 104.759 1.00 21.93 MOL1 N ATOM 2541 CA LEU A 346 29.294 39.775 105.644 1.00 22.69 MOL1 C ATOM 2542 C LEU A 346 27.912 39.231 105.520 1.00 24.22 MOL1 C ATOM 2543 O LEU A 346 27.703 38.021 105.490 1.00 25.92 MOL1 O ATOM 2544 CB LEU A 346 29.547 40.187 107.072 1.00 20.83 MOL1 C ATOM 2545 CG LEU A 346 29.361 39.133 108.170 1.00 20.01 MOL1 C ATOM 2546 CD1 LEU A 346 30.146 37.885 107.807 1.00 15.09 MOL1 C ATOM 2547 CD2 LEU A 346 29.712 39.761 109.529 1.00 16.70 MOL1 C ATOM 2548 H LEU A 346 29.662 41.786 105.125 1.00 0.00 MOL1 H ATOM 2549 N LEU A 347 27.017 40.193 105.365 1.00 26.21 MOL1 N ATOM 2550 CA LEU A 347 25.608 39.958 105.147 1.00 27.46 MOL1 C ATOM 2551 C LEU A 347 25.351 38.910 104.060 1.00 29.59 MOL1 C ATOM 2552 O LEU A 347 24.967 37.764 104.332 1.00 28.34 MOL1 O ATOM 2553 CB LEU A 347 25.073 41.328 104.823 1.00 26.96 MOL1 C ATOM 2554 CG LEU A 347 23.588 41.546 104.797 1.00 29.76 MOL1 C ATOM 2555 CD1 LEU A 347 22.854 40.550 105.696 1.00 29.22 MOL1 C ATOM 2556 CD2 LEU A 347 23.345 42.991 105.228 1.00 30.13 MOL1 C ATOM 2557 H LEU A 347 27.344 41.118 105.398 1.00 0.00 MOL1 H ATOM 2558 N ASP A 348 25.745 39.310 102.841 1.00 32.10 MOL1 N ATOM 2559 CA ASP A 348 25.641 38.504 101.648 1.00 33.06 MOL1 C ATOM 2560 C ASP A 348 26.213 37.149 101.911 1.00 33.28 MOL1 C ATOM 2561 O ASP A 348 25.587 36.129 101.611 1.00 33.56 MOL1 O ATOM 2562 CB ASP A 348 26.396 39.195 100.545 1.00 36.46 MOL1 C ATOM 2563 CG ASP A 348 25.674 40.426 100.004 1.00 41.57 MOL1 C ATOM 2564 OD1 ASP A 348 24.894 41.045 100.751 1.00 44.44 MOL1 O ATOM 2565 OD2 ASP A 348 25.887 40.753 98.818 1.00 43.69 MOL1 O ATOM 2566 H ASP A 348 26.195 40.179 102.753 1.00 0.00 MOL1 H ATOM 2567 N PHE A 349 27.345 37.197 102.609 1.00 33.59 MOL1 N ATOM 2568 CA PHE A 349 28.043 36.006 102.984 1.00 33.53 MOL1 C ATOM 2569 C PHE A 349 27.232 35.096 103.895 1.00 33.34 MOL1 C ATOM 2570 O PHE A 349 27.140 33.906 103.590 1.00 32.15 MOL1 O ATOM 2571 CB PHE A 349 29.365 36.418 103.618 1.00 31.88 MOL1 C ATOM 2572 CG PHE A 349 30.109 35.164 103.982 1.00 32.58 MOL1 C ATOM 2573 CD1 PHE A 349 30.559 34.295 102.990 1.00 33.35 MOL1 C ATOM 2574 CD2 PHE A 349 30.287 34.822 105.319 1.00 34.01 MOL1 C ATOM 2575 CE1 PHE A 349 31.171 33.080 103.348 1.00 32.62 MOL1 C ATOM 2576 CE2 PHE A 349 30.910 33.609 105.658 1.00 31.17 MOL1 C ATOM 2577 CZ PHE A 349 31.348 32.733 104.679 1.00 30.05 MOL1 C ATOM 2578 H PHE A 349 27.740 38.061 102.848 1.00 0.00 MOL1 H ATOM 2579 N LEU A 350 26.567 35.537 104.945 1.00 34.57 MOL1 N ATOM 2580 CA LEU A 350 25.860 34.597 105.810 1.00 36.86 MOL1 C ATOM 2581 C LEU A 350 24.588 34.045 105.158 1.00 36.33 MOL1 C ATOM 2582 O LEU A 350 24.110 32.936 105.438 1.00 36.20 MOL1 O ATOM 2583 CB LEU A 350 25.478 35.282 107.129 1.00 41.82 MOL1 C ATOM 2584 CG LEU A 350 26.497 36.031 108.083 1.00 46.72 MOL1 C ATOM 2585 CD1 LEU A 350 25.711 36.723 109.204 1.00 47.63 MOL1 C ATOM 2586 CD2 LEU A 350 27.510 35.078 108.734 1.00 47.21 MOL1 C ATOM 2587 H LEU A 350 26.496 36.505 105.099 1.00 0.00 MOL1 H ATOM 2588 N LYS A 351 24.024 34.853 104.256 1.00 34.84 MOL1 N ATOM 2589 CA LYS A 351 22.810 34.473 103.547 1.00 32.29 MOL1 C ATOM 2590 C LYS A 351 23.123 33.411 102.485 1.00 32.47 MOL1 C ATOM 2591 O LYS A 351 22.232 32.687 102.010 1.00 32.05 MOL1 O ATOM 2592 CB LYS A 351 22.216 35.703 102.880 1.00 28.76 MOL1 C ATOM 2593 CG LYS A 351 22.216 36.897 103.759 1.00 23.71 MOL1 C ATOM 2594 CD LYS A 351 21.605 38.060 103.028 1.00 25.51 MOL1 C ATOM 2595 CE LYS A 351 20.104 37.984 103.234 1.00 28.94 MOL1 C ATOM 2596 NZ LYS A 351 19.691 38.037 104.645 1.00 29.99 MOL1 N ATOM 2597 H LYS A 351 24.447 35.722 104.083 1.00 0.00 MOL1 H ATOM 2598 1HZ LYS A 351 20.157 37.281 105.187 1.00 0.00 MOL1 H ATOM 2599 2HZ LYS A 351 19.930 38.962 105.061 1.00 0.00 MOL1 H ATOM 2600 3HZ LYS A 351 18.662 37.888 104.690 1.00 0.00 MOL1 H ATOM 2601 N SER A 352 24.417 33.385 102.101 1.00 32.63 MOL1 N ATOM 2602 CA SER A 352 24.944 32.511 101.068 1.00 32.70 MOL1 C ATOM 2603 C SER A 352 24.903 31.039 101.433 1.00 34.19 MOL1 C ATOM 2604 O SER A 352 24.822 30.708 102.609 1.00 33.96 MOL1 O ATOM 2605 CB SER A 352 26.378 32.932 100.754 1.00 29.68 MOL1 C ATOM 2606 OG SER A 352 27.366 32.188 101.433 1.00 27.15 MOL1 O ATOM 2607 H SER A 352 25.033 34.020 102.515 1.00 0.00 MOL1 H ATOM 2608 HG SER A 352 27.576 32.694 102.232 1.00 0.00 MOL1 H ATOM 2609 N ASP A 353 25.046 30.101 100.500 1.00 38.45 MOL1 N ATOM 2610 CA ASP A 353 24.940 28.700 100.871 1.00 42.45 MOL1 C ATOM 2611 C ASP A 353 25.993 28.375 101.892 1.00 42.24 MOL1 C ATOM 2612 O ASP A 353 25.669 27.832 102.939 1.00 43.79 MOL1 O ATOM 2613 CB ASP A 353 25.137 27.741 99.695 1.00 47.68 MOL1 C ATOM 2614 CG ASP A 353 25.240 26.277 100.162 1.00 53.10 MOL1 C ATOM 2615 OD1 ASP A 353 24.243 25.689 100.604 1.00 55.02 MOL1 O ATOM 2616 OD2 ASP A 353 26.350 25.739 100.127 1.00 57.34 MOL1 O ATOM 2617 H ASP A 353 25.203 30.367 99.573 1.00 0.00 MOL1 H ATOM 2618 N GLU A 354 27.220 28.770 101.612 1.00 42.59 MOL1 N ATOM 2619 CA GLU A 354 28.320 28.505 102.507 1.00 42.54 MOL1 C ATOM 2620 C GLU A 354 28.120 29.227 103.845 1.00 42.51 MOL1 C ATOM 2621 O GLU A 354 28.563 28.745 104.898 1.00 43.24 MOL1 O ATOM 2622 CB GLU A 354 29.564 28.957 101.816 1.00 42.67 MOL1 C ATOM 2623 CG GLU A 354 30.747 28.810 102.725 1.00 45.23 MOL1 C ATOM 2624 CD GLU A 354 32.022 29.392 102.174 1.00 49.06 MOL1 C ATOM 2625 OE1 GLU A 354 31.989 30.041 101.113 1.00 49.89 MOL1 O ATOM 2626 OE2 GLU A 354 33.050 29.169 102.828 1.00 50.69 MOL1 O ATOM 2627 H GLU A 354 27.370 29.328 100.823 1.00 0.00 MOL1 H ATOM 2628 N GLY A 355 27.438 30.372 103.859 1.00 41.34 MOL1 N ATOM 2629 CA GLY A 355 27.146 31.056 105.107 1.00 40.37 MOL1 C ATOM 2630 C GLY A 355 26.295 30.153 106.003 1.00 39.56 MOL1 C ATOM 2631 O GLY A 355 26.652 29.927 107.157 1.00 39.20 MOL1 O ATOM 2632 H GLY A 355 27.079 30.734 103.021 1.00 0.00 MOL1 H ATOM 2633 N SER A 356 25.244 29.520 105.483 1.00 39.01 MOL1 N ATOM 2634 CA SER A 356 24.382 28.637 106.246 1.00 38.65 MOL1 C ATOM 2635 C SER A 356 25.076 27.424 106.868 1.00 37.97 MOL1 C ATOM 2636 O SER A 356 24.535 26.794 107.785 1.00 36.88 MOL1 O ATOM 2637 CB SER A 356 23.267 28.204 105.318 1.00 40.51 MOL1 C ATOM 2638 OG SER A 356 22.362 29.297 105.117 1.00 46.95 MOL1 O ATOM 2639 H SER A 356 25.046 29.658 104.530 1.00 0.00 MOL1 H ATOM 2640 HG SER A 356 22.820 30.101 104.838 1.00 0.00 MOL1 H ATOM 2641 N LYS A 357 26.304 27.108 106.440 1.00 37.70 MOL1 N ATOM 2642 CA LYS A 357 27.035 25.935 106.907 1.00 37.44 MOL1 C ATOM 2643 C LYS A 357 27.813 26.137 108.225 1.00 35.62 MOL1 C ATOM 2644 O LYS A 357 28.155 25.202 108.976 1.00 34.84 MOL1 O ATOM 2645 CB LYS A 357 28.001 25.482 105.748 1.00 40.29 MOL1 C ATOM 2646 CG LYS A 357 27.389 24.959 104.385 1.00 44.90 MOL1 C ATOM 2647 CD LYS A 357 28.366 24.224 103.375 1.00 49.22 MOL1 C ATOM 2648 CE LYS A 357 27.775 23.304 102.241 1.00 50.23 MOL1 C ATOM 2649 NZ LYS A 357 28.711 22.282 101.742 1.00 50.08 MOL1 N ATOM 2650 H LYS A 357 26.745 27.713 105.810 1.00 0.00 MOL1 H ATOM 2651 1HZ LYS A 357 29.571 22.749 101.390 1.00 0.00 MOL1 H ATOM 2652 2HZ LYS A 357 28.971 21.632 102.512 1.00 0.00 MOL1 H ATOM 2653 3HZ LYS A 357 28.278 21.737 100.968 1.00 0.00 MOL1 H ATOM 2654 N GLN A 358 28.065 27.430 108.489 1.00 33.64 MOL1 N ATOM 2655 CA GLN A 358 28.965 27.921 109.532 1.00 29.38 MOL1 C ATOM 2656 C GLN A 358 28.450 27.738 110.932 1.00 26.92 MOL1 C ATOM 2657 O GLN A 358 27.388 28.226 111.299 1.00 24.93 MOL1 O ATOM 2658 CB GLN A 358 29.249 29.394 109.275 1.00 26.47 MOL1 C ATOM 2659 CG GLN A 358 30.691 29.829 108.974 1.00 23.75 MOL1 C ATOM 2660 CD GLN A 358 31.503 29.183 107.867 1.00 22.53 MOL1 C ATOM 2661 OE1 GLN A 358 32.646 28.799 108.125 1.00 23.48 MOL1 O ATOM 2662 NE2 GLN A 358 31.050 29.056 106.624 1.00 23.92 MOL1 N ATOM 2663 H GLN A 358 27.544 28.108 108.011 1.00 0.00 MOL1 H ATOM 2664 1HE2 GLN A 358 31.690 28.715 105.973 1.00 0.00 MOL1 H ATOM 2665 2HE2 GLN A 358 30.127 29.308 106.413 1.00 0.00 MOL1 H ATOM 2666 N PRO A 359 29.202 27.005 111.748 1.00 25.49 MOL1 N ATOM 2667 CA PRO A 359 28.772 26.584 113.076 1.00 27.10 MOL1 C ATOM 2668 C PRO A 359 28.938 27.744 114.061 1.00 25.78 MOL1 C ATOM 2669 O PRO A 359 29.877 28.553 113.916 1.00 25.75 MOL1 O ATOM 2670 CB PRO A 359 29.670 25.365 113.251 1.00 25.81 MOL1 C ATOM 2671 CG PRO A 359 31.017 25.754 112.636 1.00 23.22 MOL1 C ATOM 2672 CD PRO A 359 30.567 26.553 111.443 1.00 25.21 MOL1 C ATOM 2673 N LEU A 360 28.124 27.843 115.108 1.00 25.02 MOL1 N ATOM 2674 CA LEU A 360 28.191 28.977 116.032 1.00 25.56 MOL1 C ATOM 2675 C LEU A 360 29.605 29.414 116.451 1.00 24.97 MOL1 C ATOM 2676 O LEU A 360 29.917 30.607 116.341 1.00 25.24 MOL1 O ATOM 2677 CB LEU A 360 27.358 28.626 117.248 1.00 25.73 MOL1 C ATOM 2678 CG LEU A 360 27.026 29.623 118.322 1.00 27.43 MOL1 C ATOM 2679 CD1 LEU A 360 25.818 30.494 117.977 1.00 27.98 MOL1 C ATOM 2680 CD2 LEU A 360 26.723 28.794 119.559 1.00 29.22 MOL1 C ATOM 2681 H LEU A 360 27.411 27.184 115.241 1.00 0.00 MOL1 H ATOM 2682 N PRO A 361 30.540 28.534 116.835 1.00 23.02 MOL1 N ATOM 2683 CA PRO A 361 31.879 28.949 117.206 1.00 23.86 MOL1 C ATOM 2684 C PRO A 361 32.663 29.771 116.189 1.00 24.82 MOL1 C ATOM 2685 O PRO A 361 33.463 30.647 116.536 1.00 27.27 MOL1 O ATOM 2686 CB PRO A 361 32.526 27.628 117.613 1.00 23.07 MOL1 C ATOM 2687 CG PRO A 361 31.626 26.541 117.122 1.00 21.24 MOL1 C ATOM 2688 CD PRO A 361 30.298 27.184 117.324 1.00 21.05 MOL1 C ATOM 2689 N LYS A 362 32.363 29.563 114.920 1.00 24.49 MOL1 N ATOM 2690 CA LYS A 362 33.029 30.321 113.919 1.00 24.84 MOL1 C ATOM 2691 C LYS A 362 32.296 31.637 113.892 1.00 23.95 MOL1 C ATOM 2692 O LYS A 362 32.918 32.689 113.893 1.00 24.96 MOL1 O ATOM 2693 CB LYS A 362 32.931 29.579 112.612 1.00 26.84 MOL1 C ATOM 2694 CG LYS A 362 33.882 30.116 111.539 1.00 30.93 MOL1 C ATOM 2695 CD LYS A 362 35.282 30.472 112.072 1.00 35.94 MOL1 C ATOM 2696 CE LYS A 362 36.253 30.866 110.948 1.00 40.12 MOL1 C ATOM 2697 NZ LYS A 362 37.385 31.658 111.443 1.00 42.38 MOL1 N ATOM 2698 H LYS A 362 31.659 28.934 114.670 1.00 0.00 MOL1 H ATOM 2699 1HZ LYS A 362 37.046 32.534 111.889 1.00 0.00 MOL1 H ATOM 2700 2HZ LYS A 362 37.912 31.099 112.143 1.00 0.00 MOL1 H ATOM 2701 3HZ LYS A 362 38.020 31.905 110.657 1.00 0.00 MOL1 H ATOM 2702 N LEU A 363 30.988 31.650 113.953 1.00 23.87 MOL1 N ATOM 2703 CA LEU A 363 30.277 32.892 114.002 1.00 24.98 MOL1 C ATOM 2704 C LEU A 363 30.799 33.757 115.120 1.00 26.30 MOL1 C ATOM 2705 O LEU A 363 31.104 34.922 114.841 1.00 27.71 MOL1 O ATOM 2706 CB LEU A 363 28.817 32.665 114.245 1.00 25.83 MOL1 C ATOM 2707 CG LEU A 363 27.971 32.413 113.000 1.00 26.61 MOL1 C ATOM 2708 CD1 LEU A 363 28.389 31.108 112.404 1.00 29.32 MOL1 C ATOM 2709 CD2 LEU A 363 26.490 32.303 113.328 1.00 24.76 MOL1 C ATOM 2710 H LEU A 363 30.496 30.807 114.003 1.00 0.00 MOL1 H ATOM 2711 N ILE A 364 31.089 33.186 116.298 1.00 25.71 MOL1 N ATOM 2712 CA ILE A 364 31.517 34.036 117.408 1.00 25.69 MOL1 C ATOM 2713 C ILE A 364 32.881 34.654 117.076 1.00 23.85 MOL1 C ATOM 2714 O ILE A 364 33.085 35.859 117.260 1.00 20.40 MOL1 O ATOM 2715 CB ILE A 364 31.542 33.222 118.819 1.00 26.46 MOL1 C ATOM 2716 CG1 ILE A 364 30.110 32.732 119.086 1.00 26.26 MOL1 C ATOM 2717 CG2 ILE A 364 31.926 34.072 120.042 1.00 23.22 MOL1 C ATOM 2718 CD1 ILE A 364 29.708 32.425 120.538 1.00 24.24 MOL1 C ATOM 2719 H ILE A 364 31.008 32.221 116.406 1.00 0.00 MOL1 H ATOM 2720 N ASP A 365 33.759 33.845 116.478 1.00 22.79 MOL1 N ATOM 2721 CA ASP A 365 35.068 34.273 116.036 1.00 21.91 MOL1 C ATOM 2722 C ASP A 365 34.865 35.444 115.079 1.00 21.57 MOL1 C ATOM 2723 O ASP A 365 35.690 36.351 115.065 1.00 21.15 MOL1 O ATOM 2724 CB ASP A 365 35.641 33.111 115.357 1.00 24.00 MOL1 C ATOM 2725 CG ASP A 365 37.128 32.966 115.286 1.00 27.22 MOL1 C ATOM 2726 OD1 ASP A 365 37.733 32.666 116.310 1.00 30.08 MOL1 O ATOM 2727 OD2 ASP A 365 37.674 33.085 114.191 1.00 28.38 MOL1 O ATOM 2728 H ASP A 365 33.502 32.909 116.313 1.00 0.00 MOL1 H ATOM 2729 N PHE A 366 33.775 35.549 114.309 1.00 20.49 MOL1 N ATOM 2730 CA PHE A 366 33.615 36.690 113.429 1.00 21.57 MOL1 C ATOM 2731 C PHE A 366 33.347 37.888 114.274 1.00 21.97 MOL1 C ATOM 2732 O PHE A 366 34.082 38.874 114.177 1.00 20.15 MOL1 O ATOM 2733 CB PHE A 366 32.456 36.555 112.446 1.00 22.93 MOL1 C ATOM 2734 CG PHE A 366 32.709 35.512 111.343 1.00 23.51 MOL1 C ATOM 2735 CD1 PHE A 366 33.999 35.216 110.865 1.00 22.76 MOL1 C ATOM 2736 CD2 PHE A 366 31.631 34.829 110.787 1.00 24.12 MOL1 C ATOM 2737 CE1 PHE A 366 34.204 34.272 109.861 1.00 18.99 MOL1 C ATOM 2738 CE2 PHE A 366 31.854 33.878 109.782 1.00 20.93 MOL1 C ATOM 2739 CZ PHE A 366 33.129 33.604 109.316 1.00 18.30 MOL1 C ATOM 2740 H PHE A 366 33.070 34.867 114.366 1.00 0.00 MOL1 H ATOM 2741 N SER A 367 32.403 37.777 115.204 1.00 23.00 MOL1 N ATOM 2742 CA SER A 367 32.096 38.902 116.073 1.00 23.94 MOL1 C ATOM 2743 C SER A 367 33.328 39.281 116.827 1.00 24.26 MOL1 C ATOM 2744 O SER A 367 33.549 40.462 117.052 1.00 24.48 MOL1 O ATOM 2745 CB SER A 367 31.130 38.594 117.118 1.00 22.52 MOL1 C ATOM 2746 OG SER A 367 30.338 37.531 116.633 1.00 30.26 MOL1 O ATOM 2747 H SER A 367 31.863 36.958 115.308 1.00 0.00 MOL1 H ATOM 2748 HG SER A 367 29.527 37.488 117.145 1.00 0.00 MOL1 H ATOM 2749 N ALA A 368 34.162 38.277 117.124 1.00 24.73 MOL1 N ATOM 2750 CA ALA A 368 35.385 38.464 117.859 1.00 23.44 MOL1 C ATOM 2751 C ALA A 368 36.149 39.342 116.924 1.00 23.98 MOL1 C ATOM 2752 O ALA A 368 36.528 40.416 117.380 1.00 25.28 MOL1 O ATOM 2753 CB ALA A 368 36.139 37.193 118.041 1.00 21.16 MOL1 C ATOM 2754 H ALA A 368 33.942 37.386 116.801 1.00 0.00 MOL1 H ATOM 2755 N GLN A 369 36.224 39.037 115.625 1.00 22.89 MOL1 N ATOM 2756 CA GLN A 369 37.026 39.855 114.728 1.00 23.33 MOL1 C ATOM 2757 C GLN A 369 36.504 41.257 114.517 1.00 24.21 MOL1 C ATOM 2758 O GLN A 369 37.276 42.225 114.502 1.00 25.56 MOL1 O ATOM 2759 CB GLN A 369 37.142 39.188 113.418 1.00 21.53 MOL1 C ATOM 2760 CG GLN A 369 37.964 37.959 113.616 1.00 23.15 MOL1 C ATOM 2761 CD GLN A 369 37.908 37.055 112.417 1.00 25.82 MOL1 C ATOM 2762 OE1 GLN A 369 38.280 37.402 111.295 1.00 28.18 MOL1 O ATOM 2763 NE2 GLN A 369 37.397 35.860 112.622 1.00 28.82 MOL1 N ATOM 2764 H GLN A 369 35.704 38.286 115.278 1.00 0.00 MOL1 H ATOM 2765 1HE2 GLN A 369 37.383 35.265 111.852 1.00 0.00 MOL1 H ATOM 2766 2HE2 GLN A 369 37.048 35.625 113.503 1.00 0.00 MOL1 H ATOM 2767 N ILE A 370 35.178 41.406 114.486 1.00 22.04 MOL1 N ATOM 2768 CA ILE A 370 34.616 42.701 114.253 1.00 19.34 MOL1 C ATOM 2769 C ILE A 370 34.901 43.467 115.514 1.00 20.09 MOL1 C ATOM 2770 O ILE A 370 35.376 44.594 115.448 1.00 22.93 MOL1 O ATOM 2771 CB ILE A 370 33.173 42.555 114.045 1.00 20.20 MOL1 C ATOM 2772 CG1 ILE A 370 32.940 41.648 112.886 1.00 21.74 MOL1 C ATOM 2773 CG2 ILE A 370 32.574 43.892 113.735 1.00 19.30 MOL1 C ATOM 2774 CD1 ILE A 370 31.424 41.411 112.677 1.00 26.46 MOL1 C ATOM 2775 H ILE A 370 34.593 40.648 114.694 1.00 0.00 MOL1 H ATOM 2776 N ALA A 371 34.728 42.847 116.662 1.00 18.64 MOL1 N ATOM 2777 CA ALA A 371 34.917 43.500 117.936 1.00 17.82 MOL1 C ATOM 2778 C ALA A 371 36.320 43.995 118.032 1.00 18.06 MOL1 C ATOM 2779 O ALA A 371 36.563 45.090 118.538 1.00 16.94 MOL1 O ATOM 2780 CB ALA A 371 34.721 42.546 119.077 1.00 18.65 MOL1 C ATOM 2781 H ALA A 371 34.588 41.894 116.638 1.00 0.00 MOL1 H ATOM 2782 N GLU A 372 37.221 43.207 117.444 1.00 18.07 MOL1 N ATOM 2783 CA GLU A 372 38.618 43.510 117.525 1.00 19.99 MOL1 C ATOM 2784 C GLU A 372 38.813 44.809 116.848 1.00 20.00 MOL1 C ATOM 2785 O GLU A 372 39.273 45.708 117.529 1.00 21.01 MOL1 O ATOM 2786 CB GLU A 372 39.512 42.491 116.842 1.00 22.56 MOL1 C ATOM 2787 CG GLU A 372 39.357 41.164 117.543 1.00 30.15 MOL1 C ATOM 2788 CD GLU A 372 40.028 39.859 117.046 1.00 35.62 MOL1 C ATOM 2789 OE1 GLU A 372 41.260 39.826 116.865 1.00 38.16 MOL1 O ATOM 2790 OE2 GLU A 372 39.307 38.855 116.900 1.00 36.45 MOL1 O ATOM 2791 H GLU A 372 36.921 42.397 116.985 1.00 0.00 MOL1 H ATOM 2792 N GLY A 373 38.395 45.019 115.609 1.00 21.44 MOL1 N ATOM 2793 CA GLY A 373 38.662 46.293 114.939 1.00 22.67 MOL1 C ATOM 2794 C GLY A 373 38.099 47.517 115.641 1.00 21.72 MOL1 C ATOM 2795 O GLY A 373 38.671 48.594 115.705 1.00 20.03 MOL1 O ATOM 2796 H GLY A 373 37.858 44.334 115.154 1.00 0.00 MOL1 H ATOM 2797 N MET A 374 36.963 47.278 116.215 1.00 23.03 MOL1 N ATOM 2798 CA MET A 374 36.319 48.265 116.997 1.00 26.43 MOL1 C ATOM 2799 C MET A 374 37.180 48.710 118.146 1.00 27.95 MOL1 C ATOM 2800 O MET A 374 37.214 49.878 118.491 1.00 27.22 MOL1 O ATOM 2801 CB MET A 374 35.017 47.668 117.449 1.00 27.29 MOL1 C ATOM 2802 CG MET A 374 34.127 47.485 116.247 1.00 26.35 MOL1 C ATOM 2803 SD MET A 374 34.243 49.117 115.479 1.00 32.26 MOL1 S ATOM 2804 CE MET A 374 32.744 49.983 115.850 1.00 28.70 MOL1 C ATOM 2805 H MET A 374 36.577 46.387 116.111 1.00 0.00 MOL1 H ATOM 2806 N ALA A 375 37.948 47.831 118.733 1.00 30.58 MOL1 N ATOM 2807 CA ALA A 375 38.748 48.242 119.849 1.00 35.51 MOL1 C ATOM 2808 C ALA A 375 39.828 49.123 119.340 1.00 40.07 MOL1 C ATOM 2809 O ALA A 375 40.077 50.136 119.984 1.00 42.21 MOL1 O ATOM 2810 CB ALA A 375 39.455 47.123 120.563 1.00 35.51 MOL1 C ATOM 2811 H ALA A 375 37.923 46.894 118.458 1.00 0.00 MOL1 H ATOM 2812 N PHE A 376 40.452 48.822 118.201 1.00 44.84 MOL1 N ATOM 2813 CA PHE A 376 41.522 49.672 117.687 1.00 47.38 MOL1 C ATOM 2814 C PHE A 376 40.918 51.048 117.342 1.00 48.35 MOL1 C ATOM 2815 O PHE A 376 41.496 52.060 117.720 1.00 47.98 MOL1 O ATOM 2816 CB PHE A 376 42.138 48.957 116.486 1.00 49.44 MOL1 C ATOM 2817 CG PHE A 376 43.289 49.700 115.808 1.00 54.66 MOL1 C ATOM 2818 CD1 PHE A 376 43.040 50.624 114.780 1.00 56.16 MOL1 C ATOM 2819 CD2 PHE A 376 44.607 49.449 116.201 1.00 56.95 MOL1 C ATOM 2820 CE1 PHE A 376 44.101 51.284 114.163 1.00 57.64 MOL1 C ATOM 2821 CE2 PHE A 376 45.661 50.115 115.570 1.00 57.69 MOL1 C ATOM 2822 CZ PHE A 376 45.414 51.028 114.553 1.00 57.54 MOL1 C ATOM 2823 H PHE A 376 40.122 48.053 117.690 1.00 0.00 MOL1 H ATOM 2824 N ILE A 377 39.736 51.132 116.723 1.00 49.14 MOL1 N ATOM 2825 CA ILE A 377 39.013 52.358 116.463 1.00 50.00 MOL1 C ATOM 2826 C ILE A 377 38.862 53.077 117.783 1.00 51.90 MOL1 C ATOM 2827 O ILE A 377 39.223 54.248 117.825 1.00 54.21 MOL1 O ATOM 2828 CB ILE A 377 37.664 51.975 115.859 1.00 50.77 MOL1 C ATOM 2829 CG1 ILE A 377 37.940 51.751 114.403 1.00 51.35 MOL1 C ATOM 2830 CG2 ILE A 377 36.548 52.988 116.099 1.00 50.16 MOL1 C ATOM 2831 CD1 ILE A 377 36.777 50.990 113.727 1.00 54.13 MOL1 C ATOM 2832 H ILE A 377 39.318 50.290 116.454 1.00 0.00 MOL1 H ATOM 2833 N GLU A 378 38.426 52.413 118.857 1.00 53.23 MOL1 N ATOM 2834 CA GLU A 378 38.230 53.005 120.174 1.00 54.65 MOL1 C ATOM 2835 C GLU A 378 39.540 53.452 120.810 1.00 56.34 MOL1 C ATOM 2836 O GLU A 378 39.604 54.520 121.417 1.00 54.78 MOL1 O ATOM 2837 CB GLU A 378 37.513 51.962 121.021 1.00 55.13 MOL1 C ATOM 2838 CG GLU A 378 37.160 52.294 122.473 1.00 56.10 MOL1 C ATOM 2839 CD GLU A 378 36.280 51.300 123.262 1.00 55.11 MOL1 C ATOM 2840 OE1 GLU A 378 36.792 50.301 123.767 1.00 55.72 MOL1 O ATOM 2841 OE2 GLU A 378 35.081 51.537 123.414 1.00 54.23 MOL1 O ATOM 2842 H GLU A 378 38.249 51.461 118.749 1.00 0.00 MOL1 H ATOM 2843 N GLN A 379 40.634 52.702 120.650 1.00 60.22 MOL1 N ATOM 2844 CA GLN A 379 41.959 53.027 121.176 1.00 63.81 MOL1 C ATOM 2845 C GLN A 379 42.425 54.295 120.502 1.00 65.87 MOL1 C ATOM 2846 O GLN A 379 43.044 55.137 121.143 1.00 66.47 MOL1 O ATOM 2847 CB GLN A 379 42.967 51.875 120.906 1.00 64.10 MOL1 C ATOM 2848 CG GLN A 379 44.475 52.135 121.117 1.00 66.46 MOL1 C ATOM 2849 CD GLN A 379 44.961 52.619 122.494 1.00 68.07 MOL1 C ATOM 2850 OE1 GLN A 379 45.425 51.840 123.327 1.00 68.52 MOL1 O ATOM 2851 NE2 GLN A 379 44.944 53.906 122.820 1.00 68.73 MOL1 N ATOM 2852 H GLN A 379 40.545 51.899 120.114 1.00 0.00 MOL1 H ATOM 2853 1HE2 GLN A 379 45.264 54.136 123.709 1.00 0.00 MOL1 H ATOM 2854 2HE2 GLN A 379 44.604 54.569 122.177 1.00 0.00 MOL1 H ATOM 2855 N ARG A 380 42.121 54.457 119.219 1.00 69.84 MOL1 N ATOM 2856 CA ARG A 380 42.446 55.664 118.467 1.00 73.26 MOL1 C ATOM 2857 C ARG A 380 41.356 56.759 118.600 1.00 73.91 MOL1 C ATOM 2858 O ARG A 380 41.413 57.820 117.982 1.00 72.66 MOL1 O ATOM 2859 CB ARG A 380 42.667 55.240 117.012 1.00 75.10 MOL1 C ATOM 2860 CG ARG A 380 43.597 54.027 116.829 1.00 79.10 MOL1 C ATOM 2861 CD ARG A 380 45.067 54.270 117.078 1.00 83.55 MOL1 C ATOM 2862 NE ARG A 380 45.601 55.063 115.980 1.00 88.28 MOL1 N ATOM 2863 CZ ARG A 380 46.570 54.648 115.137 1.00 90.10 MOL1 C ATOM 2864 NH1 ARG A 380 47.163 53.448 115.225 1.00 89.63 MOL1 N ATOM 2865 NH2 ARG A 380 46.927 55.471 114.143 1.00 91.64 MOL1 N ATOM 2866 H ARG A 380 41.663 53.727 118.749 1.00 0.00 MOL1 H ATOM 2867 HE ARG A 380 45.235 55.962 115.844 1.00 0.00 MOL1 H ATOM 2868 1HH1 ARG A 380 46.895 52.807 115.943 1.00 0.00 MOL1 H ATOM 2869 2HH1 ARG A 380 47.860 53.186 114.557 1.00 0.00 MOL1 H ATOM 2870 1HH2 ARG A 380 46.458 56.348 114.040 1.00 0.00 MOL1 H ATOM 2871 2HH2 ARG A 380 47.612 55.190 113.471 1.00 0.00 MOL1 H ATOM 2872 N ASN A 381 40.344 56.534 119.451 1.00 76.39 MOL1 N ATOM 2873 CA ASN A 381 39.240 57.439 119.841 1.00 78.46 MOL1 C ATOM 2874 C ASN A 381 38.268 57.947 118.765 1.00 76.90 MOL1 C ATOM 2875 O ASN A 381 37.441 58.853 118.956 1.00 74.95 MOL1 O ATOM 2876 CB ASN A 381 39.819 58.675 120.591 1.00 82.73 MOL1 C ATOM 2877 CG ASN A 381 40.640 58.458 121.883 1.00 86.27 MOL1 C ATOM 2878 OD1 ASN A 381 40.173 58.173 122.999 1.00 87.36 MOL1 O ATOM 2879 ND2 ASN A 381 41.947 58.687 121.761 1.00 87.52 MOL1 N ATOM 2880 H ASN A 381 40.329 55.658 119.880 1.00 0.00 MOL1 H ATOM 2881 1HD2 ASN A 381 42.499 58.554 122.558 1.00 0.00 MOL1 H ATOM 2882 2HD2 ASN A 381 42.288 58.970 120.887 1.00 0.00 MOL1 H ATOM 2883 N TYR A 382 38.341 57.310 117.603 1.00 75.94 MOL1 N ATOM 2884 CA TYR A 382 37.537 57.702 116.464 1.00 75.98 MOL1 C ATOM 2885 C TYR A 382 36.163 57.076 116.607 1.00 75.43 MOL1 C ATOM 2886 O TYR A 382 35.947 56.272 117.512 1.00 76.55 MOL1 O ATOM 2887 CB TYR A 382 38.230 57.219 115.189 1.00 76.97 MOL1 C ATOM 2888 CG TYR A 382 37.877 57.933 113.879 1.00 79.16 MOL1 C ATOM 2889 CD1 TYR A 382 37.654 59.319 113.828 1.00 79.57 MOL1 C ATOM 2890 CD2 TYR A 382 37.802 57.191 112.690 1.00 80.81 MOL1 C ATOM 2891 CE1 TYR A 382 37.358 59.960 112.614 1.00 79.67 MOL1 C ATOM 2892 CE2 TYR A 382 37.509 57.832 111.471 1.00 81.43 MOL1 C ATOM 2893 CZ TYR A 382 37.286 59.215 111.434 1.00 80.10 MOL1 C ATOM 2894 OH TYR A 382 36.999 59.837 110.228 1.00 79.37 MOL1 O ATOM 2895 H TYR A 382 38.867 56.486 117.565 1.00 0.00 MOL1 H ATOM 2896 HH TYR A 382 36.806 60.764 110.387 1.00 0.00 MOL1 H ATOM 2897 N ILE A 383 35.195 57.394 115.748 1.00 74.39 MOL1 N ATOM 2898 CA ILE A 383 33.879 56.777 115.789 1.00 73.71 MOL1 C ATOM 2899 C ILE A 383 33.608 56.397 114.325 1.00 74.14 MOL1 C ATOM 2900 O ILE A 383 33.911 57.123 113.375 1.00 75.19 MOL1 O ATOM 2901 CB ILE A 383 32.766 57.764 116.305 1.00 73.15 MOL1 C ATOM 2902 CG1 ILE A 383 32.933 58.120 117.788 1.00 74.43 MOL1 C ATOM 2903 CG2 ILE A 383 31.402 57.104 116.135 1.00 71.30 MOL1 C ATOM 2904 CD1 ILE A 383 33.772 59.390 118.140 1.00 76.72 MOL1 C ATOM 2905 H ILE A 383 35.378 57.978 114.981 1.00 0.00 MOL1 H ATOM 2906 N HIS A 384 33.073 55.214 114.086 1.00 73.27 MOL1 N ATOM 2907 CA HIS A 384 32.716 54.762 112.758 1.00 70.86 MOL1 C ATOM 2908 C HIS A 384 31.216 54.977 112.791 1.00 69.31 MOL1 C ATOM 2909 O HIS A 384 30.517 54.072 113.206 1.00 69.32 MOL1 O ATOM 2910 CB HIS A 384 33.134 53.299 112.679 1.00 71.03 MOL1 C ATOM 2911 CG HIS A 384 32.526 52.511 111.537 1.00 69.73 MOL1 C ATOM 2912 ND1 HIS A 384 31.920 52.941 110.443 1.00 69.79 MOL1 N ATOM 2913 CD2 HIS A 384 32.566 51.147 111.472 1.00 70.14 MOL1 C ATOM 2914 CE1 HIS A 384 31.609 51.895 109.726 1.00 69.72 MOL1 C ATOM 2915 NE2 HIS A 384 31.997 50.821 110.350 1.00 69.16 MOL1 N ATOM 2916 H HIS A 384 32.864 54.643 114.850 1.00 0.00 MOL1 H ATOM 2917 HD1 HIS A 384 31.889 53.856 110.075 1.00 0.00 MOL1 H ATOM 2918 HE2 HIS A 384 31.773 49.917 110.044 1.00 0.00 MOL1 H ATOM 2919 N ARG A 385 30.657 56.089 112.350 1.00 68.42 MOL1 N ATOM 2920 CA ARG A 385 29.245 56.422 112.564 1.00 67.60 MOL1 C ATOM 2921 C ARG A 385 28.144 55.425 112.134 1.00 65.03 MOL1 C ATOM 2922 O ARG A 385 26.953 55.678 112.331 1.00 63.86 MOL1 O ATOM 2923 CB ARG A 385 29.016 57.825 111.905 1.00 70.76 MOL1 C ATOM 2924 CG ARG A 385 29.851 59.010 112.463 1.00 76.08 MOL1 C ATOM 2925 CD ARG A 385 30.346 60.006 111.382 1.00 81.89 MOL1 C ATOM 2926 NE ARG A 385 31.421 60.930 111.803 1.00 86.21 MOL1 N ATOM 2927 CZ ARG A 385 32.114 61.734 110.950 1.00 88.07 MOL1 C ATOM 2928 NH1 ARG A 385 31.890 61.761 109.628 1.00 87.98 MOL1 N ATOM 2929 NH2 ARG A 385 33.049 62.566 111.428 1.00 88.11 MOL1 N ATOM 2930 H ARG A 385 31.226 56.704 111.841 1.00 0.00 MOL1 H ATOM 2931 HE ARG A 385 31.679 60.940 112.748 1.00 0.00 MOL1 H ATOM 2932 1HH1 ARG A 385 31.174 61.192 109.225 1.00 0.00 MOL1 H ATOM 2933 2HH1 ARG A 385 32.432 62.371 109.049 1.00 0.00 MOL1 H ATOM 2934 1HH2 ARG A 385 33.236 62.599 112.411 1.00 0.00 MOL1 H ATOM 2935 2HH2 ARG A 385 33.572 63.148 110.805 1.00 0.00 MOL1 H ATOM 2936 N ASP A 386 28.454 54.258 111.575 1.00 62.53 MOL1 N ATOM 2937 CA ASP A 386 27.452 53.299 111.127 1.00 61.82 MOL1 C ATOM 2938 C ASP A 386 28.009 51.891 111.373 1.00 61.14 MOL1 C ATOM 2939 O ASP A 386 29.194 51.690 111.083 1.00 62.74 MOL1 O ATOM 2940 CB ASP A 386 27.196 53.539 109.636 1.00 61.77 MOL1 C ATOM 2941 CG ASP A 386 26.353 52.500 108.907 1.00 62.23 MOL1 C ATOM 2942 OD1 ASP A 386 25.654 51.722 109.551 1.00 62.54 MOL1 O ATOM 2943 OD2 ASP A 386 26.391 52.471 107.676 1.00 63.71 MOL1 O ATOM 2944 H ASP A 386 29.376 53.941 111.585 1.00 0.00 MOL1 H ATOM 2945 N LEU A 387 27.309 50.874 111.891 1.00 58.21 MOL1 N ATOM 2946 CA LEU A 387 27.895 49.554 112.033 1.00 54.70 MOL1 C ATOM 2947 C LEU A 387 26.778 48.566 111.840 1.00 54.75 MOL1 C ATOM 2948 O LEU A 387 25.723 48.621 112.474 1.00 54.56 MOL1 O ATOM 2949 CB LEU A 387 28.490 49.284 113.415 1.00 53.03 MOL1 C ATOM 2950 CG LEU A 387 29.963 48.910 113.594 1.00 51.30 MOL1 C ATOM 2951 CD1 LEU A 387 30.039 48.138 114.890 1.00 50.06 MOL1 C ATOM 2952 CD2 LEU A 387 30.514 48.012 112.490 1.00 49.31 MOL1 C ATOM 2953 H LEU A 387 26.381 51.001 112.182 1.00 0.00 MOL1 H ATOM 2954 N ARG A 388 27.018 47.691 110.880 1.00 55.12 MOL1 N ATOM 2955 CA ARG A 388 26.131 46.587 110.560 1.00 54.67 MOL1 C ATOM 2956 C ARG A 388 26.901 45.686 109.613 1.00 52.57 MOL1 C ATOM 2957 O ARG A 388 27.900 46.080 109.001 1.00 51.33 MOL1 O ATOM 2958 CB ARG A 388 24.898 47.079 109.872 1.00 57.06 MOL1 C ATOM 2959 CG ARG A 388 25.214 47.997 108.713 1.00 59.43 MOL1 C ATOM 2960 CD ARG A 388 24.019 48.884 108.560 1.00 61.37 MOL1 C ATOM 2961 NE ARG A 388 24.049 49.546 107.275 1.00 64.14 MOL1 N ATOM 2962 CZ ARG A 388 23.249 49.144 106.291 1.00 65.20 MOL1 C ATOM 2963 NH1 ARG A 388 22.392 48.116 106.427 1.00 64.15 MOL1 N ATOM 2964 NH2 ARG A 388 23.311 49.832 105.161 1.00 67.32 MOL1 N ATOM 2965 H ARG A 388 27.824 47.774 110.327 1.00 0.00 MOL1 H ATOM 2966 HE ARG A 388 24.647 50.311 107.142 1.00 0.00 MOL1 H ATOM 2967 1HH1 ARG A 388 22.348 47.614 107.290 1.00 0.00 MOL1 H ATOM 2968 2HH1 ARG A 388 21.809 47.848 105.661 1.00 0.00 MOL1 H ATOM 2969 1HH2 ARG A 388 23.905 50.636 105.105 1.00 0.00 MOL1 H ATOM 2970 2HH2 ARG A 388 22.709 49.604 104.398 1.00 0.00 MOL1 H ATOM 2971 N ALA A 389 26.380 44.479 109.458 1.00 49.92 MOL1 N ATOM 2972 CA ALA A 389 26.990 43.434 108.650 1.00 47.66 MOL1 C ATOM 2973 C ALA A 389 27.437 43.877 107.251 1.00 46.01 MOL1 C ATOM 2974 O ALA A 389 28.445 43.501 106.630 1.00 43.46 MOL1 O ATOM 2975 CB ALA A 389 25.969 42.309 108.556 1.00 47.97 MOL1 C ATOM 2976 H ALA A 389 25.549 44.291 109.940 1.00 0.00 MOL1 H ATOM 2977 N ALA A 390 26.539 44.727 106.793 1.00 44.40 MOL1 N ATOM 2978 CA ALA A 390 26.666 45.361 105.521 1.00 43.65 MOL1 C ATOM 2979 C ALA A 390 27.994 46.064 105.299 1.00 43.51 MOL1 C ATOM 2980 O ALA A 390 28.460 46.111 104.156 1.00 44.87 MOL1 O ATOM 2981 CB ALA A 390 25.528 46.333 105.416 1.00 43.00 MOL1 C ATOM 2982 H ALA A 390 25.740 44.924 107.317 1.00 0.00 MOL1 H ATOM 2983 N ASN A 391 28.611 46.599 106.355 1.00 42.44 MOL1 N ATOM 2984 CA ASN A 391 29.854 47.351 106.216 1.00 41.98 MOL1 C ATOM 2985 C ASN A 391 31.041 46.583 106.790 1.00 39.84 MOL1 C ATOM 2986 O ASN A 391 32.070 47.170 107.169 1.00 39.01 MOL1 O ATOM 2987 CB ASN A 391 29.699 48.734 106.906 1.00 45.32 MOL1 C ATOM 2988 CG ASN A 391 28.557 49.627 106.367 1.00 49.76 MOL1 C ATOM 2989 OD1 ASN A 391 27.439 49.602 106.889 1.00 51.15 MOL1 O ATOM 2990 ND2 ASN A 391 28.703 50.477 105.343 1.00 52.69 MOL1 N ATOM 2991 H ASN A 391 28.216 46.482 107.236 1.00 0.00 MOL1 H ATOM 2992 1HD2 ASN A 391 27.925 51.005 105.079 1.00 0.00 MOL1 H ATOM 2993 2HD2 ASN A 391 29.592 50.539 104.933 1.00 0.00 MOL1 H ATOM 2994 N ILE A 392 30.884 45.244 106.826 1.00 37.14 MOL1 N ATOM 2995 CA ILE A 392 31.891 44.289 107.282 1.00 34.45 MOL1 C ATOM 2996 C ILE A 392 32.061 43.441 106.045 1.00 32.82 MOL1 C ATOM 2997 O ILE A 392 31.082 43.009 105.442 1.00 32.05 MOL1 O ATOM 2998 CB ILE A 392 31.450 43.292 108.425 1.00 34.16 MOL1 C ATOM 2999 CG1 ILE A 392 30.781 43.950 109.626 1.00 33.11 MOL1 C ATOM 3000 CG2 ILE A 392 32.714 42.568 108.872 1.00 33.48 MOL1 C ATOM 3001 CD1 ILE A 392 31.381 45.270 110.114 1.00 33.07 MOL1 C ATOM 3002 H ILE A 392 30.073 44.845 106.445 1.00 0.00 MOL1 H ATOM 3003 N LEU A 393 33.284 43.143 105.679 1.00 32.84 MOL1 N ATOM 3004 CA LEU A 393 33.547 42.418 104.464 1.00 34.33 MOL1 C ATOM 3005 C LEU A 393 34.260 41.163 104.795 1.00 35.12 MOL1 C ATOM 3006 O LEU A 393 35.026 41.161 105.760 1.00 37.44 MOL1 O ATOM 3007 CB LEU A 393 34.426 43.204 103.561 1.00 35.31 MOL1 C ATOM 3008 CG LEU A 393 33.955 44.626 103.297 1.00 37.63 MOL1 C ATOM 3009 CD1 LEU A 393 35.143 45.388 102.737 1.00 36.19 MOL1 C ATOM 3010 CD2 LEU A 393 32.649 44.606 102.471 1.00 34.71 MOL1 C ATOM 3011 H LEU A 393 34.026 43.358 106.280 1.00 0.00 MOL1 H ATOM 3012 N VAL A 394 34.111 40.112 104.021 1.00 35.19 MOL1 N ATOM 3013 CA VAL A 394 34.764 38.878 104.370 1.00 34.55 MOL1 C ATOM 3014 C VAL A 394 35.734 38.612 103.259 1.00 35.80 MOL1 C ATOM 3015 O VAL A 394 35.386 38.711 102.082 1.00 35.07 MOL1 O ATOM 3016 CB VAL A 394 33.714 37.806 104.488 1.00 33.67 MOL1 C ATOM 3017 CG1 VAL A 394 34.327 36.448 104.694 1.00 34.40 MOL1 C ATOM 3018 CG2 VAL A 394 32.857 38.145 105.683 1.00 31.03 MOL1 C ATOM 3019 H VAL A 394 33.661 40.189 103.155 1.00 0.00 MOL1 H ATOM 3020 N SER A 395 36.978 38.351 103.657 1.00 38.33 MOL1 N ATOM 3021 CA SER A 395 38.056 38.044 102.733 1.00 40.94 MOL1 C ATOM 3022 C SER A 395 37.864 36.661 102.094 1.00 43.67 MOL1 C ATOM 3023 O SER A 395 36.846 35.993 102.281 1.00 46.11 MOL1 O ATOM 3024 CB SER A 395 39.396 38.086 103.476 1.00 39.32 MOL1 C ATOM 3025 OG SER A 395 39.710 36.836 104.075 1.00 38.16 MOL1 O ATOM 3026 H SER A 395 37.170 38.403 104.616 1.00 0.00 MOL1 H ATOM 3027 HG SER A 395 40.629 36.839 104.387 1.00 0.00 MOL1 H ATOM 3028 N ALA A 396 38.855 36.191 101.338 1.00 45.37 MOL1 N ATOM 3029 CA ALA A 396 38.824 34.850 100.764 1.00 44.50 MOL1 C ATOM 3030 C ALA A 396 39.074 33.808 101.839 1.00 43.15 MOL1 C ATOM 3031 O ALA A 396 38.592 32.693 101.713 1.00 42.68 MOL1 O ATOM 3032 CB ALA A 396 39.909 34.698 99.707 1.00 47.00 MOL1 C ATOM 3033 H ALA A 396 39.643 36.749 101.185 1.00 0.00 MOL1 H ATOM 3034 N SER A 397 39.850 34.179 102.873 1.00 41.60 MOL1 N ATOM 3035 CA SER A 397 40.196 33.305 103.984 1.00 39.07 MOL1 C ATOM 3036 C SER A 397 39.238 33.415 105.173 1.00 37.35 MOL1 C ATOM 3037 O SER A 397 39.565 32.944 106.257 1.00 37.33 MOL1 O ATOM 3038 CB SER A 397 41.624 33.632 104.435 1.00 38.56 MOL1 C ATOM 3039 OG SER A 397 42.013 35.003 104.223 1.00 37.25 MOL1 O ATOM 3040 H SER A 397 40.223 35.080 102.930 1.00 0.00 MOL1 H ATOM 3041 HG SER A 397 42.920 35.062 104.547 1.00 0.00 MOL1 H ATOM 3042 N LEU A 398 38.066 34.054 105.021 1.00 34.75 MOL1 N ATOM 3043 CA LEU A 398 37.057 34.216 106.061 1.00 31.50 MOL1 C ATOM 3044 C LEU A 398 37.580 34.967 107.249 1.00 31.07 MOL1 C ATOM 3045 O LEU A 398 37.424 34.550 108.397 1.00 31.22 MOL1 O ATOM 3046 CB LEU A 398 36.526 32.894 106.592 1.00 29.85 MOL1 C ATOM 3047 CG LEU A 398 36.085 31.882 105.578 1.00 29.90 MOL1 C ATOM 3048 CD1 LEU A 398 35.597 30.631 106.273 1.00 28.96 MOL1 C ATOM 3049 CD2 LEU A 398 35.032 32.510 104.706 1.00 28.81 MOL1 C ATOM 3050 H LEU A 398 37.858 34.416 104.134 1.00 0.00 MOL1 H ATOM 3051 N VAL A 399 38.213 36.093 106.888 1.00 31.76 MOL1 N ATOM 3052 CA VAL A 399 38.758 37.099 107.807 1.00 32.19 MOL1 C ATOM 3053 C VAL A 399 37.797 38.264 107.647 1.00 33.98 MOL1 C ATOM 3054 O VAL A 399 37.434 38.612 106.504 1.00 33.50 MOL1 O ATOM 3055 CB VAL A 399 40.161 37.647 107.428 1.00 31.70 MOL1 C ATOM 3056 CG1 VAL A 399 40.593 38.590 108.521 1.00 32.13 MOL1 C ATOM 3057 CG2 VAL A 399 41.222 36.564 107.320 1.00 30.87 MOL1 C ATOM 3058 H VAL A 399 38.258 36.299 105.933 1.00 0.00 MOL1 H ATOM 3059 N CYS A 400 37.355 38.878 108.747 1.00 36.20 MOL1 N ATOM 3060 CA CYS A 400 36.380 39.972 108.638 1.00 37.15 MOL1 C ATOM 3061 C CYS A 400 37.057 41.304 108.920 1.00 37.38 MOL1 C ATOM 3062 O CYS A 400 37.752 41.466 109.920 1.00 36.68 MOL1 O ATOM 3063 CB CYS A 400 35.185 39.803 109.625 1.00 35.29 MOL1 C ATOM 3064 SG CYS A 400 34.270 38.235 109.576 1.00 28.69 MOL1 S ATOM 3065 H CYS A 400 37.685 38.600 109.630 1.00 0.00 MOL1 H ATOM 3066 N LYS A 401 36.895 42.245 107.999 1.00 37.71 MOL1 N ATOM 3067 CA LYS A 401 37.491 43.564 108.120 1.00 38.13 MOL1 C ATOM 3068 C LYS A 401 36.356 44.601 108.029 1.00 40.77 MOL1 C ATOM 3069 O LYS A 401 35.257 44.328 107.521 1.00 40.71 MOL1 O ATOM 3070 CB LYS A 401 38.539 43.749 106.987 1.00 35.24 MOL1 C ATOM 3071 CG LYS A 401 39.643 42.684 106.902 1.00 31.26 MOL1 C ATOM 3072 CD LYS A 401 40.816 43.097 106.051 1.00 31.36 MOL1 C ATOM 3073 CE LYS A 401 41.971 42.081 106.222 1.00 34.33 MOL1 C ATOM 3074 NZ LYS A 401 43.297 42.593 105.863 1.00 34.48 MOL1 N ATOM 3075 H LYS A 401 36.298 42.057 107.243 1.00 0.00 MOL1 H ATOM 3076 1HZ LYS A 401 43.247 42.939 104.882 1.00 0.00 MOL1 H ATOM 3077 2HZ LYS A 401 43.576 43.368 106.499 1.00 0.00 MOL1 H ATOM 3078 3HZ LYS A 401 43.984 41.814 105.912 1.00 0.00 MOL1 H ATOM 3079 N ILE A 402 36.574 45.809 108.545 1.00 44.61 MOL1 N ATOM 3080 CA ILE A 402 35.542 46.841 108.603 1.00 47.11 MOL1 C ATOM 3081 C ILE A 402 35.719 47.887 107.512 1.00 48.08 MOL1 C ATOM 3082 O ILE A 402 36.866 48.238 107.185 1.00 48.30 MOL1 O ATOM 3083 CB ILE A 402 35.669 47.375 110.033 1.00 48.66 MOL1 C ATOM 3084 CG1 ILE A 402 35.239 46.259 110.969 1.00 49.02 MOL1 C ATOM 3085 CG2 ILE A 402 34.854 48.644 110.242 1.00 50.48 MOL1 C ATOM 3086 CD1 ILE A 402 35.774 46.364 112.395 1.00 49.89 MOL1 C ATOM 3087 H ILE A 402 37.450 46.017 108.932 1.00 0.00 MOL1 H ATOM 3088 N ALA A 403 34.619 48.420 106.989 1.00 48.65 MOL1 N ATOM 3089 CA ALA A 403 34.696 49.350 105.882 1.00 51.63 MOL1 C ATOM 3090 C ALA A 403 33.818 50.582 105.986 1.00 53.52 MOL1 C ATOM 3091 O ALA A 403 32.884 50.563 106.784 1.00 53.98 MOL1 O ATOM 3092 CB ALA A 403 34.319 48.630 104.603 1.00 52.76 MOL1 C ATOM 3093 H ALA A 403 33.733 48.184 107.339 1.00 0.00 MOL1 H ATOM 3094 N ASP A 404 34.101 51.611 105.145 1.00 55.69 MOL1 N ATOM 3095 CA ASP A 404 33.371 52.885 105.018 1.00 57.19 MOL1 C ATOM 3096 C ASP A 404 33.321 53.477 106.415 1.00 58.80 MOL1 C ATOM 3097 O ASP A 404 32.258 53.608 107.008 1.00 61.36 MOL1 O ATOM 3098 CB ASP A 404 31.916 52.680 104.505 1.00 56.02 MOL1 C ATOM 3099 CG ASP A 404 31.692 51.814 103.270 1.00 55.94 MOL1 C ATOM 3100 OD1 ASP A 404 32.581 51.707 102.410 1.00 56.89 MOL1 O ATOM 3101 OD2 ASP A 404 30.602 51.250 103.168 1.00 54.85 MOL1 O ATOM 3102 H ASP A 404 34.859 51.471 104.545 1.00 0.00 MOL1 H ATOM 3103 N PHE A 405 34.435 53.904 106.983 1.00 60.19 MOL1 N ATOM 3104 CA PHE A 405 34.510 54.177 108.406 1.00 62.87 MOL1 C ATOM 3105 C PHE A 405 33.869 55.531 108.823 1.00 64.30 MOL1 C ATOM 3106 O PHE A 405 32.822 55.542 109.499 1.00 62.65 MOL1 O ATOM 3107 CB PHE A 405 36.013 54.071 108.825 1.00 65.54 MOL1 C ATOM 3108 CG PHE A 405 36.934 52.984 108.201 1.00 70.03 MOL1 C ATOM 3109 CD1 PHE A 405 36.640 52.256 107.015 1.00 72.25 MOL1 C ATOM 3110 CD2 PHE A 405 38.168 52.721 108.807 1.00 70.62 MOL1 C ATOM 3111 CE1 PHE A 405 37.515 51.319 106.445 1.00 71.44 MOL1 C ATOM 3112 CE2 PHE A 405 39.050 51.780 108.235 1.00 71.96 MOL1 C ATOM 3113 CZ PHE A 405 38.732 51.080 107.060 1.00 71.18 MOL1 C ATOM 3114 H PHE A 405 35.183 54.132 106.402 1.00 0.00 MOL1 H ATOM 3115 N GLY A 406 34.394 56.709 108.495 1.00 65.76 MOL1 N ATOM 3116 CA GLY A 406 33.766 57.956 108.887 1.00 67.62 MOL1 C ATOM 3117 C GLY A 406 32.941 58.306 107.692 1.00 69.77 MOL1 C ATOM 3118 O GLY A 406 33.492 58.358 106.590 1.00 69.51 MOL1 O ATOM 3119 H GLY A 406 35.176 56.767 107.912 1.00 0.00 MOL1 H ATOM 3120 N LEU A 407 31.638 58.473 107.840 1.00 72.27 MOL1 N ATOM 3121 CA LEU A 407 30.852 58.792 106.674 1.00 75.79 MOL1 C ATOM 3122 C LEU A 407 30.212 60.173 106.850 1.00 77.74 MOL1 C ATOM 3123 O LEU A 407 29.143 60.313 107.446 1.00 78.10 MOL1 O ATOM 3124 CB LEU A 407 29.824 57.643 106.464 1.00 76.25 MOL1 C ATOM 3125 CG LEU A 407 29.756 57.123 104.988 1.00 78.25 MOL1 C ATOM 3126 CD1 LEU A 407 31.152 56.585 104.597 1.00 78.34 MOL1 C ATOM 3127 CD2 LEU A 407 28.676 56.041 104.812 1.00 76.66 MOL1 C ATOM 3128 H LEU A 407 31.221 58.420 108.721 1.00 0.00 MOL1 H ATOM 3129 N ALA A 408 30.919 61.224 106.388 1.00 79.65 MOL1 N ATOM 3130 CA ALA A 408 30.495 62.626 106.475 1.00 80.74 MOL1 C ATOM 3131 C ALA A 408 29.948 63.181 105.165 1.00 81.40 MOL1 C ATOM 3132 O ALA A 408 30.680 63.700 104.321 1.00 79.29 MOL1 O ATOM 3133 CB ALA A 408 31.668 63.481 106.901 1.00 81.33 MOL1 C ATOM 3134 H ALA A 408 31.767 61.033 105.935 1.00 0.00 MOL1 H ATOM 3135 N ARG A 409 28.620 63.063 105.086 1.00 84.52 MOL1 N ATOM 3136 CA ARG A 409 27.800 63.340 103.905 1.00 87.64 MOL1 C ATOM 3137 C ARG A 409 26.625 64.315 104.140 1.00 89.16 MOL1 C ATOM 3138 O ARG A 409 26.312 64.619 105.299 1.00 88.06 MOL1 O ATOM 3139 CB ARG A 409 27.249 61.999 103.384 1.00 87.14 MOL1 C ATOM 3140 H ARG A 409 28.130 62.853 105.909 1.00 0.00 MOL1 H ATOM 3141 N VAL A 410 25.917 64.811 103.105 1.00 91.16 MOL1 N ATOM 3142 CA VAL A 410 24.812 65.762 103.282 1.00 93.63 MOL1 C ATOM 3143 C VAL A 410 23.466 65.397 102.619 1.00 95.33 MOL1 C ATOM 3144 O VAL A 410 23.413 65.220 101.398 1.00 96.67 MOL1 O ATOM 3145 CB VAL A 410 25.243 67.139 102.750 1.00 92.67 MOL1 C ATOM 3146 H VAL A 410 26.150 64.533 102.190 1.00 0.00 MOL1 H ATOM 3147 N GLY A 411 22.345 65.249 103.354 1.00 95.95 MOL1 N ATOM 3148 CA GLY A 411 21.014 64.982 102.788 1.00 96.04 MOL1 C ATOM 3149 C GLY A 411 19.934 65.316 103.817 1.00 96.60 MOL1 C ATOM 3150 O GLY A 411 20.198 65.417 105.019 1.00 96.51 MOL1 O ATOM 3151 H GLY A 411 22.398 65.325 104.332 1.00 0.00 MOL1 H ATOM 3152 N ALA A 422 15.100 57.409 105.381 1.00 92.43 MOL1 N ATOM 3153 CA ALA A 422 14.218 56.738 104.426 1.00 93.11 MOL1 C ATOM 3154 C ALA A 422 14.395 55.213 104.463 1.00 93.17 MOL1 C ATOM 3155 O ALA A 422 13.459 54.413 104.576 1.00 92.20 MOL1 O ATOM 3156 CB ALA A 422 14.522 57.257 103.022 1.00 93.47 MOL1 C ATOM 3157 H ALA A 422 14.692 58.001 106.051 1.00 0.00 MOL1 H ATOM 3158 N LYS A 423 15.666 54.845 104.307 1.00 93.11 MOL1 N ATOM 3159 CA LYS A 423 16.156 53.498 104.543 1.00 92.88 MOL1 C ATOM 3160 C LYS A 423 17.555 53.757 105.157 1.00 93.39 MOL1 C ATOM 3161 O LYS A 423 18.534 53.030 104.965 1.00 94.33 MOL1 O ATOM 3162 CB LYS A 423 16.243 52.715 103.218 1.00 91.16 MOL1 C ATOM 3163 H LYS A 423 16.305 55.526 104.009 1.00 0.00 MOL1 H ATOM 3164 N PHE A 424 17.639 54.861 105.934 1.00 92.91 MOL1 N ATOM 3165 CA PHE A 424 18.814 55.297 106.698 1.00 92.20 MOL1 C ATOM 3166 C PHE A 424 18.849 54.429 107.960 1.00 90.58 MOL1 C ATOM 3167 O PHE A 424 17.802 54.345 108.601 1.00 91.43 MOL1 O ATOM 3168 CB PHE A 424 18.677 56.799 107.105 1.00 94.27 MOL1 C ATOM 3169 CG PHE A 424 19.683 57.436 108.108 1.00 95.93 MOL1 C ATOM 3170 CD1 PHE A 424 19.457 57.379 109.502 1.00 95.94 MOL1 C ATOM 3171 CD2 PHE A 424 20.822 58.126 107.643 1.00 95.75 MOL1 C ATOM 3172 CE1 PHE A 424 20.341 57.998 110.397 1.00 95.22 MOL1 C ATOM 3173 CE2 PHE A 424 21.695 58.740 108.550 1.00 95.35 MOL1 C ATOM 3174 CZ PHE A 424 21.459 58.678 109.923 1.00 94.96 MOL1 C ATOM 3175 H PHE A 424 16.808 55.350 106.095 1.00 0.00 MOL1 H ATOM 3176 N PRO A 425 19.979 53.864 108.415 1.00 88.11 MOL1 N ATOM 3177 CA PRO A 425 20.163 52.873 109.501 1.00 86.21 MOL1 C ATOM 3178 C PRO A 425 19.419 52.683 110.849 1.00 84.09 MOL1 C ATOM 3179 O PRO A 425 19.827 51.844 111.667 1.00 83.89 MOL1 O ATOM 3180 CB PRO A 425 21.660 52.967 109.734 1.00 86.21 MOL1 C ATOM 3181 CG PRO A 425 22.066 54.290 109.164 1.00 86.61 MOL1 C ATOM 3182 CD PRO A 425 21.279 54.222 107.889 1.00 87.81 MOL1 C ATOM 3183 N ILE A 426 18.316 53.372 111.132 1.00 81.49 MOL1 N ATOM 3184 CA ILE A 426 17.481 53.215 112.316 1.00 79.10 MOL1 C ATOM 3185 C ILE A 426 17.611 52.015 113.251 1.00 76.55 MOL1 C ATOM 3186 O ILE A 426 18.070 52.189 114.377 1.00 75.64 MOL1 O ATOM 3187 CB ILE A 426 15.977 53.308 111.914 1.00 80.30 MOL1 C ATOM 3188 CG1 ILE A 426 15.616 52.785 110.491 1.00 80.41 MOL1 C ATOM 3189 CG2 ILE A 426 15.660 54.789 112.146 1.00 80.14 MOL1 C ATOM 3190 CD1 ILE A 426 16.058 51.361 109.996 1.00 80.64 MOL1 C ATOM 3191 H ILE A 426 18.051 54.057 110.485 1.00 0.00 MOL1 H ATOM 3192 N LYS A 427 17.339 50.782 112.809 1.00 73.11 MOL1 N ATOM 3193 CA LYS A 427 17.318 49.621 113.675 1.00 69.64 MOL1 C ATOM 3194 C LYS A 427 18.661 49.374 114.380 1.00 68.75 MOL1 C ATOM 3195 O LYS A 427 18.705 48.959 115.548 1.00 70.22 MOL1 O ATOM 3196 CB LYS A 427 16.884 48.430 112.819 1.00 67.58 MOL1 C ATOM 3197 CG LYS A 427 15.447 48.560 112.363 1.00 64.52 MOL1 C ATOM 3198 CD LYS A 427 14.998 47.310 111.630 1.00 64.76 MOL1 C ATOM 3199 CE LYS A 427 13.466 47.280 111.423 1.00 65.27 MOL1 C ATOM 3200 NZ LYS A 427 12.935 46.068 110.798 1.00 62.69 MOL1 N ATOM 3201 H LYS A 427 17.253 50.630 111.854 1.00 0.00 MOL1 H ATOM 3202 1HZ LYS A 427 13.440 45.906 109.902 1.00 0.00 MOL1 H ATOM 3203 2HZ LYS A 427 13.084 45.256 111.432 1.00 0.00 MOL1 H ATOM 3204 3HZ LYS A 427 11.918 46.191 110.616 1.00 0.00 MOL1 H ATOM 3205 N TRP A 428 19.758 49.726 113.706 1.00 65.97 MOL1 N ATOM 3206 CA TRP A 428 21.101 49.572 114.218 1.00 63.40 MOL1 C ATOM 3207 C TRP A 428 21.550 50.831 114.949 1.00 63.21 MOL1 C ATOM 3208 O TRP A 428 22.717 50.967 115.325 1.00 62.14 MOL1 O ATOM 3209 CB TRP A 428 22.033 49.324 113.069 1.00 63.35 MOL1 C ATOM 3210 CG TRP A 428 21.906 48.016 112.304 1.00 63.68 MOL1 C ATOM 3211 CD1 TRP A 428 22.672 46.939 112.656 1.00 63.98 MOL1 C ATOM 3212 CD2 TRP A 428 21.146 47.773 111.188 1.00 64.55 MOL1 C ATOM 3213 NE1 TRP A 428 22.413 46.015 111.774 1.00 62.59 MOL1 N ATOM 3214 CE2 TRP A 428 21.519 46.460 110.878 1.00 64.17 MOL1 C ATOM 3215 CE3 TRP A 428 20.219 48.442 110.386 1.00 65.04 MOL1 C ATOM 3216 CZ2 TRP A 428 20.973 45.815 109.768 1.00 64.60 MOL1 C ATOM 3217 CZ3 TRP A 428 19.676 47.790 109.275 1.00 64.71 MOL1 C ATOM 3218 CH2 TRP A 428 20.051 46.485 108.967 1.00 64.00 MOL1 C ATOM 3219 H TRP A 428 19.668 50.188 112.845 1.00 0.00 MOL1 H ATOM 3220 HE1 TRP A 428 22.653 45.083 111.917 1.00 0.00 MOL1 H ATOM 3221 N THR A 429 20.651 51.771 115.223 1.00 64.05 MOL1 N ATOM 3222 CA THR A 429 21.030 53.073 115.747 1.00 64.00 MOL1 C ATOM 3223 C THR A 429 20.679 53.210 117.221 1.00 65.30 MOL1 C ATOM 3224 O THR A 429 19.542 53.015 117.681 1.00 64.48 MOL1 O ATOM 3225 CB THR A 429 20.319 54.153 114.939 1.00 62.61 MOL1 C ATOM 3226 OG1 THR A 429 20.289 53.700 113.592 1.00 60.98 MOL1 O ATOM 3227 CG2 THR A 429 21.028 55.495 114.997 1.00 62.30 MOL1 C ATOM 3228 H THR A 429 19.696 51.554 115.234 1.00 0.00 MOL1 H ATOM 3229 HG1 THR A 429 19.887 52.828 113.596 1.00 0.00 MOL1 H ATOM 3230 N ALA A 430 21.746 53.508 117.958 1.00 66.58 MOL1 N ATOM 3231 CA ALA A 430 21.655 53.744 119.387 1.00 68.02 MOL1 C ATOM 3232 C ALA A 430 20.764 54.962 119.654 1.00 69.62 MOL1 C ATOM 3233 O ALA A 430 20.818 55.947 118.900 1.00 70.75 MOL1 O ATOM 3234 CB ALA A 430 23.053 53.998 119.910 1.00 68.14 MOL1 C ATOM 3235 H ALA A 430 22.606 53.591 117.497 1.00 0.00 MOL1 H ATOM 3236 N PRO A 431 19.994 55.024 120.736 1.00 70.27 MOL1 N ATOM 3237 CA PRO A 431 18.931 56.015 120.938 1.00 70.77 MOL1 C ATOM 3238 C PRO A 431 19.290 57.518 120.877 1.00 71.19 MOL1 C ATOM 3239 O PRO A 431 18.567 58.341 120.308 1.00 71.65 MOL1 O ATOM 3240 CB PRO A 431 18.382 55.574 122.258 1.00 71.44 MOL1 C ATOM 3241 CG PRO A 431 19.645 55.175 123.010 1.00 69.49 MOL1 C ATOM 3242 CD PRO A 431 20.278 54.295 121.965 1.00 69.94 MOL1 C ATOM 3243 N GLU A 432 20.420 57.921 121.473 1.00 70.90 MOL1 N ATOM 3244 CA GLU A 432 20.887 59.315 121.486 1.00 70.89 MOL1 C ATOM 3245 C GLU A 432 21.240 59.896 120.108 1.00 72.54 MOL1 C ATOM 3246 O GLU A 432 21.026 61.079 119.801 1.00 71.88 MOL1 O ATOM 3247 CB GLU A 432 22.154 59.497 122.374 1.00 68.73 MOL1 C ATOM 3248 CG GLU A 432 22.726 58.396 123.296 1.00 64.19 MOL1 C ATOM 3249 CD GLU A 432 23.686 57.398 122.659 1.00 60.44 MOL1 C ATOM 3250 OE1 GLU A 432 24.868 57.698 122.514 1.00 58.48 MOL1 O ATOM 3251 OE2 GLU A 432 23.250 56.308 122.325 1.00 58.97 MOL1 O ATOM 3252 H GLU A 432 20.925 57.246 121.963 1.00 0.00 MOL1 H ATOM 3253 N ALA A 433 21.795 59.000 119.279 1.00 74.72 MOL1 N ATOM 3254 CA ALA A 433 22.267 59.303 117.946 1.00 76.18 MOL1 C ATOM 3255 C ALA A 433 21.068 59.733 117.134 1.00 78.16 MOL1 C ATOM 3256 O ALA A 433 21.090 60.798 116.507 1.00 79.14 MOL1 O ATOM 3257 CB ALA A 433 22.889 58.064 117.367 1.00 74.30 MOL1 C ATOM 3258 H ALA A 433 21.827 58.063 119.560 1.00 0.00 MOL1 H ATOM 3259 N ILE A 434 20.011 58.934 117.305 1.00 78.77 MOL1 N ATOM 3260 CA ILE A 434 18.727 59.175 116.695 1.00 80.76 MOL1 C ATOM 3261 C ILE A 434 18.267 60.586 117.044 1.00 83.10 MOL1 C ATOM 3262 O ILE A 434 18.582 61.560 116.348 1.00 84.37 MOL1 O ATOM 3263 CB ILE A 434 17.685 58.151 117.206 1.00 80.50 MOL1 C ATOM 3264 CG1 ILE A 434 18.187 56.767 116.931 1.00 82.64 MOL1 C ATOM 3265 CG2 ILE A 434 16.327 58.380 116.555 1.00 79.29 MOL1 C ATOM 3266 CD1 ILE A 434 17.315 55.631 117.506 1.00 85.64 MOL1 C ATOM 3267 H ILE A 434 20.124 58.160 117.891 1.00 0.00 MOL1 H ATOM 3268 N ASN A 435 17.674 60.692 118.236 1.00 84.51 MOL1 N ATOM 3269 CA ASN A 435 16.920 61.865 118.648 1.00 84.78 MOL1 C ATOM 3270 C ASN A 435 17.702 63.160 118.724 1.00 85.09 MOL1 C ATOM 3271 O ASN A 435 17.084 64.223 118.763 1.00 84.10 MOL1 O ATOM 3272 CB ASN A 435 16.279 61.638 120.023 1.00 84.03 MOL1 C ATOM 3273 CG ASN A 435 15.524 60.336 120.260 1.00 83.38 MOL1 C ATOM 3274 OD1 ASN A 435 15.190 59.578 119.351 1.00 81.46 MOL1 O ATOM 3275 ND2 ASN A 435 15.249 60.017 121.518 1.00 82.71 MOL1 N ATOM 3276 H ASN A 435 17.768 59.951 118.873 1.00 0.00 MOL1 H ATOM 3277 1HD2 ASN A 435 14.760 59.178 121.643 1.00 0.00 MOL1 H ATOM 3278 2HD2 ASN A 435 15.545 60.604 122.241 1.00 0.00 MOL1 H ATOM 3279 N PHE A 436 19.038 63.121 118.756 1.00 86.12 MOL1 N ATOM 3280 CA PHE A 436 19.812 64.330 118.988 1.00 87.18 MOL1 C ATOM 3281 C PHE A 436 21.050 64.504 118.123 1.00 85.75 MOL1 C ATOM 3282 O PHE A 436 21.752 65.517 118.224 1.00 84.29 MOL1 O ATOM 3283 CB PHE A 436 20.221 64.364 120.473 1.00 91.46 MOL1 C ATOM 3284 CG PHE A 436 19.054 64.286 121.480 1.00 95.18 MOL1 C ATOM 3285 CD1 PHE A 436 18.334 65.442 121.831 1.00 95.47 MOL1 C ATOM 3286 CD2 PHE A 436 18.690 63.046 122.040 1.00 95.91 MOL1 C ATOM 3287 CE1 PHE A 436 17.264 65.352 122.723 1.00 95.68 MOL1 C ATOM 3288 CE2 PHE A 436 17.616 62.970 122.932 1.00 96.65 MOL1 C ATOM 3289 CZ PHE A 436 16.905 64.122 123.271 1.00 96.63 MOL1 C ATOM 3290 H PHE A 436 19.508 62.276 118.608 1.00 0.00 MOL1 H ATOM 3291 N GLY A 437 21.335 63.526 117.262 1.00 84.76 MOL1 N ATOM 3292 CA GLY A 437 22.547 63.561 116.469 1.00 83.24 MOL1 C ATOM 3293 C GLY A 437 23.785 63.461 117.355 1.00 82.42 MOL1 C ATOM 3294 O GLY A 437 24.820 64.032 117.000 1.00 82.46 MOL1 O ATOM 3295 H GLY A 437 20.700 62.795 117.103 1.00 0.00 MOL1 H ATOM 3296 N SER A 438 23.733 62.762 118.508 1.00 81.10 MOL1 N ATOM 3297 CA SER A 438 24.912 62.592 119.366 1.00 79.14 MOL1 C ATOM 3298 C SER A 438 25.499 61.220 119.006 1.00 76.69 MOL1 C ATOM 3299 O SER A 438 24.819 60.199 119.155 1.00 75.72 MOL1 O ATOM 3300 CB SER A 438 24.491 62.650 120.850 1.00 79.09 MOL1 C ATOM 3301 OG SER A 438 25.577 63.032 121.690 1.00 78.44 MOL1 O ATOM 3302 H SER A 438 22.899 62.305 118.746 1.00 0.00 MOL1 H ATOM 3303 HG SER A 438 25.300 62.958 122.607 1.00 0.00 MOL1 H ATOM 3304 N PHE A 439 26.718 61.133 118.480 1.00 73.40 MOL1 N ATOM 3305 CA PHE A 439 27.263 59.859 118.052 1.00 70.35 MOL1 C ATOM 3306 C PHE A 439 28.517 59.685 118.869 1.00 67.71 MOL1 C ATOM 3307 O PHE A 439 29.228 60.661 119.101 1.00 67.72 MOL1 O ATOM 3308 CB PHE A 439 27.640 59.864 116.580 1.00 72.57 MOL1 C ATOM 3309 CG PHE A 439 26.553 59.858 115.495 1.00 75.91 MOL1 C ATOM 3310 CD1 PHE A 439 25.604 58.825 115.412 1.00 76.42 MOL1 C ATOM 3311 CD2 PHE A 439 26.547 60.873 114.513 1.00 77.55 MOL1 C ATOM 3312 CE1 PHE A 439 24.675 58.812 114.358 1.00 76.36 MOL1 C ATOM 3313 CE2 PHE A 439 25.614 60.847 113.461 1.00 77.54 MOL1 C ATOM 3314 CZ PHE A 439 24.677 59.817 113.385 1.00 76.89 MOL1 C ATOM 3315 H PHE A 439 27.310 61.914 118.476 1.00 0.00 MOL1 H ATOM 3316 N THR A 440 28.825 58.469 119.296 1.00 64.76 MOL1 N ATOM 3317 CA THR A 440 29.942 58.157 120.183 1.00 61.56 MOL1 C ATOM 3318 C THR A 440 30.289 56.697 119.979 1.00 57.39 MOL1 C ATOM 3319 O THR A 440 29.511 55.912 119.416 1.00 55.41 MOL1 O ATOM 3320 CB THR A 440 29.646 58.271 121.729 1.00 64.13 MOL1 C ATOM 3321 OG1 THR A 440 28.233 58.489 121.875 1.00 64.63 MOL1 O ATOM 3322 CG2 THR A 440 30.597 59.284 122.416 1.00 62.15 MOL1 C ATOM 3323 H THR A 440 28.324 57.707 118.942 1.00 0.00 MOL1 H ATOM 3324 HG1 THR A 440 28.038 59.389 121.575 1.00 0.00 MOL1 H ATOM 3325 N ILE A 441 31.428 56.312 120.568 1.00 52.62 MOL1 N ATOM 3326 CA ILE A 441 31.843 54.916 120.510 1.00 49.46 MOL1 C ATOM 3327 C ILE A 441 30.747 54.075 121.138 1.00 46.61 MOL1 C ATOM 3328 O ILE A 441 30.369 52.986 120.707 1.00 44.59 MOL1 O ATOM 3329 CB ILE A 441 33.193 54.690 121.250 1.00 49.64 MOL1 C ATOM 3330 CG1 ILE A 441 34.198 55.867 121.056 1.00 52.05 MOL1 C ATOM 3331 CG2 ILE A 441 33.813 53.427 120.635 1.00 48.23 MOL1 C ATOM 3332 CD1 ILE A 441 35.687 55.765 121.527 1.00 51.40 MOL1 C ATOM 3333 H ILE A 441 32.022 57.003 120.924 1.00 0.00 MOL1 H ATOM 3334 N LYS A 442 30.137 54.739 122.097 1.00 44.11 MOL1 N ATOM 3335 CA LYS A 442 29.044 54.150 122.793 1.00 42.85 MOL1 C ATOM 3336 C LYS A 442 27.908 53.979 121.825 1.00 42.72 MOL1 C ATOM 3337 O LYS A 442 27.234 52.972 121.955 1.00 43.55 MOL1 O ATOM 3338 CB LYS A 442 28.719 55.048 123.982 1.00 42.61 MOL1 C ATOM 3339 CG LYS A 442 29.902 55.219 125.017 1.00 41.42 MOL1 C ATOM 3340 CD LYS A 442 30.333 53.961 125.811 1.00 36.31 MOL1 C ATOM 3341 CE LYS A 442 31.826 53.903 126.110 1.00 34.67 MOL1 C ATOM 3342 NZ LYS A 442 32.106 52.652 126.790 1.00 32.87 MOL1 N ATOM 3343 H LYS A 442 30.471 55.605 122.398 1.00 0.00 MOL1 H ATOM 3344 1HZ LYS A 442 31.474 52.583 127.615 1.00 0.00 MOL1 H ATOM 3345 2HZ LYS A 442 31.912 51.856 126.149 1.00 0.00 MOL1 H ATOM 3346 3HZ LYS A 442 33.096 52.617 127.103 1.00 0.00 MOL1 H ATOM 3347 N SER A 443 27.648 54.807 120.820 1.00 44.01 MOL1 N ATOM 3348 CA SER A 443 26.589 54.481 119.863 1.00 45.62 MOL1 C ATOM 3349 C SER A 443 26.987 53.182 119.184 1.00 45.09 MOL1 C ATOM 3350 O SER A 443 26.224 52.200 119.129 1.00 45.60 MOL1 O ATOM 3351 CB SER A 443 26.439 55.479 118.727 1.00 47.62 MOL1 C ATOM 3352 OG SER A 443 26.791 56.749 119.230 1.00 51.18 MOL1 O ATOM 3353 H SER A 443 28.091 55.670 120.725 1.00 0.00 MOL1 H ATOM 3354 HG SER A 443 26.142 57.014 119.893 1.00 0.00 MOL1 H ATOM 3355 N ASP A 444 28.268 53.208 118.815 1.00 42.85 MOL1 N ATOM 3356 CA ASP A 444 28.823 52.123 118.051 1.00 41.52 MOL1 C ATOM 3357 C ASP A 444 28.719 50.811 118.784 1.00 37.61 MOL1 C ATOM 3358 O ASP A 444 28.418 49.786 118.172 1.00 37.21 MOL1 O ATOM 3359 CB ASP A 444 30.280 52.458 117.708 1.00 45.84 MOL1 C ATOM 3360 CG ASP A 444 30.518 53.363 116.480 1.00 47.97 MOL1 C ATOM 3361 OD1 ASP A 444 29.662 54.194 116.113 1.00 49.71 MOL1 O ATOM 3362 OD2 ASP A 444 31.602 53.227 115.901 1.00 47.10 MOL1 O ATOM 3363 H ASP A 444 28.833 53.956 119.103 1.00 0.00 MOL1 H ATOM 3364 N VAL A 445 28.879 50.832 120.096 1.00 32.96 MOL1 N ATOM 3365 CA VAL A 445 28.667 49.623 120.818 1.00 30.19 MOL1 C ATOM 3366 C VAL A 445 27.236 49.169 120.613 1.00 29.85 MOL1 C ATOM 3367 O VAL A 445 27.121 48.041 120.133 1.00 31.03 MOL1 O ATOM 3368 CB VAL A 445 28.951 49.865 122.275 1.00 30.21 MOL1 C ATOM 3369 CG1 VAL A 445 28.527 48.662 123.101 1.00 27.49 MOL1 C ATOM 3370 CG2 VAL A 445 30.455 50.072 122.465 1.00 30.76 MOL1 C ATOM 3371 H VAL A 445 29.092 51.661 120.559 1.00 0.00 MOL1 H ATOM 3372 N TRP A 446 26.170 49.960 120.827 1.00 28.14 MOL1 N ATOM 3373 CA TRP A 446 24.799 49.538 120.661 1.00 27.02 MOL1 C ATOM 3374 C TRP A 446 24.744 48.824 119.343 1.00 27.66 MOL1 C ATOM 3375 O TRP A 446 24.416 47.637 119.257 1.00 26.61 MOL1 O ATOM 3376 CB TRP A 446 23.852 50.736 120.613 1.00 32.12 MOL1 C ATOM 3377 CG TRP A 446 22.351 50.429 120.360 1.00 37.51 MOL1 C ATOM 3378 CD1 TRP A 446 21.870 49.890 119.180 1.00 37.67 MOL1 C ATOM 3379 CD2 TRP A 446 21.355 50.518 121.298 1.00 40.60 MOL1 C ATOM 3380 NE1 TRP A 446 20.610 49.608 119.377 1.00 37.29 MOL1 N ATOM 3381 CE2 TRP A 446 20.262 49.959 120.609 1.00 40.27 MOL1 C ATOM 3382 CE3 TRP A 446 21.203 50.977 122.613 1.00 44.49 MOL1 C ATOM 3383 CZ2 TRP A 446 19.005 49.827 121.210 1.00 43.52 MOL1 C ATOM 3384 CZ3 TRP A 446 19.943 50.847 123.228 1.00 46.23 MOL1 C ATOM 3385 CH2 TRP A 446 18.857 50.279 122.531 1.00 45.46 MOL1 C ATOM 3386 H TRP A 446 26.351 50.895 121.081 1.00 0.00 MOL1 H ATOM 3387 HE1 TRP A 446 19.987 49.232 118.714 1.00 0.00 MOL1 H ATOM 3388 N SER A 447 25.193 49.541 118.325 1.00 29.54 MOL1 N ATOM 3389 CA SER A 447 25.157 49.015 116.972 1.00 32.63 MOL1 C ATOM 3390 C SER A 447 25.734 47.600 116.868 1.00 32.98 MOL1 C ATOM 3391 O SER A 447 25.013 46.650 116.512 1.00 31.56 MOL1 O ATOM 3392 CB SER A 447 25.939 49.948 116.051 1.00 34.29 MOL1 C ATOM 3393 OG SER A 447 25.475 51.292 115.982 1.00 39.30 MOL1 O ATOM 3394 H SER A 447 25.562 50.437 118.466 1.00 0.00 MOL1 H ATOM 3395 HG SER A 447 24.563 51.242 115.658 1.00 0.00 MOL1 H ATOM 3396 N PHE A 448 26.986 47.467 117.354 1.00 31.77 MOL1 N ATOM 3397 CA PHE A 448 27.761 46.241 117.333 1.00 30.13 MOL1 C ATOM 3398 C PHE A 448 26.941 45.076 117.840 1.00 28.78 MOL1 C ATOM 3399 O PHE A 448 26.988 43.960 117.311 1.00 29.87 MOL1 O ATOM 3400 CB PHE A 448 28.986 46.429 118.204 1.00 31.40 MOL1 C ATOM 3401 CG PHE A 448 29.771 45.141 118.378 1.00 34.62 MOL1 C ATOM 3402 CD1 PHE A 448 29.432 44.228 119.404 1.00 35.92 MOL1 C ATOM 3403 CD2 PHE A 448 30.775 44.817 117.465 1.00 35.96 MOL1 C ATOM 3404 CE1 PHE A 448 30.099 43.008 119.493 1.00 35.61 MOL1 C ATOM 3405 CE2 PHE A 448 31.441 43.589 117.560 1.00 35.78 MOL1 C ATOM 3406 CZ PHE A 448 31.105 42.690 118.572 1.00 36.37 MOL1 C ATOM 3407 H PHE A 448 27.368 48.240 117.809 1.00 0.00 MOL1 H ATOM 3408 N GLY A 449 26.194 45.398 118.879 1.00 26.19 MOL1 N ATOM 3409 CA GLY A 449 25.341 44.457 119.535 1.00 24.54 MOL1 C ATOM 3410 C GLY A 449 24.348 43.978 118.531 1.00 24.61 MOL1 C ATOM 3411 O GLY A 449 24.153 42.784 118.327 1.00 23.91 MOL1 O ATOM 3412 H GLY A 449 26.216 46.329 119.189 1.00 0.00 MOL1 H ATOM 3413 N ILE A 450 23.766 44.887 117.791 1.00 25.57 MOL1 N ATOM 3414 CA ILE A 450 22.735 44.426 116.868 1.00 27.41 MOL1 C ATOM 3415 C ILE A 450 23.280 43.563 115.752 1.00 24.88 MOL1 C ATOM 3416 O ILE A 450 22.614 42.649 115.246 1.00 25.14 MOL1 O ATOM 3417 CB ILE A 450 21.970 45.596 116.232 1.00 27.38 MOL1 C ATOM 3418 CG1 ILE A 450 21.770 46.804 117.173 1.00 28.06 MOL1 C ATOM 3419 CG2 ILE A 450 20.608 44.995 115.844 1.00 26.35 MOL1 C ATOM 3420 CD1 ILE A 450 20.549 46.778 118.098 1.00 28.93 MOL1 C ATOM 3421 H ILE A 450 23.990 45.833 117.900 1.00 0.00 MOL1 H ATOM 3422 N LEU A 451 24.530 43.846 115.475 1.00 21.90 MOL1 N ATOM 3423 CA LEU A 451 25.252 43.096 114.502 1.00 21.86 MOL1 C ATOM 3424 C LEU A 451 25.452 41.733 115.139 1.00 21.10 MOL1 C ATOM 3425 O LEU A 451 25.353 40.742 114.424 1.00 21.29 MOL1 O ATOM 3426 CB LEU A 451 26.545 43.827 114.257 1.00 24.58 MOL1 C ATOM 3427 CG LEU A 451 27.389 43.651 113.013 1.00 25.93 MOL1 C ATOM 3428 CD1 LEU A 451 28.692 44.427 113.182 1.00 26.34 MOL1 C ATOM 3429 CD2 LEU A 451 27.775 42.221 112.827 1.00 26.66 MOL1 C ATOM 3430 H LEU A 451 24.974 44.578 115.958 1.00 0.00 MOL1 H ATOM 3431 N LEU A 452 25.687 41.626 116.444 1.00 19.25 MOL1 N ATOM 3432 CA LEU A 452 25.848 40.342 117.112 1.00 19.47 MOL1 C ATOM 3433 C LEU A 452 24.714 39.374 116.878 1.00 18.18 MOL1 C ATOM 3434 O LEU A 452 24.850 38.183 116.577 1.00 16.15 MOL1 O ATOM 3435 CB LEU A 452 25.982 40.515 118.610 1.00 20.19 MOL1 C ATOM 3436 CG LEU A 452 27.356 40.990 118.975 1.00 23.63 MOL1 C ATOM 3437 CD1 LEU A 452 27.531 41.110 120.447 1.00 25.37 MOL1 C ATOM 3438 CD2 LEU A 452 28.346 39.900 118.646 1.00 25.37 MOL1 C ATOM 3439 H LEU A 452 25.762 42.445 116.969 1.00 0.00 MOL1 H ATOM 3440 N MET A 453 23.592 40.054 116.968 1.00 18.56 MOL1 N ATOM 3441 CA MET A 453 22.326 39.479 116.705 1.00 19.24 MOL1 C ATOM 3442 C MET A 453 22.321 38.937 115.290 1.00 20.58 MOL1 C ATOM 3443 O MET A 453 22.284 37.704 115.111 1.00 21.29 MOL1 O ATOM 3444 CB MET A 453 21.316 40.559 116.913 1.00 21.28 MOL1 C ATOM 3445 CG MET A 453 19.914 39.978 116.818 1.00 27.78 MOL1 C ATOM 3446 SD MET A 453 19.514 38.448 117.749 1.00 28.61 MOL1 S ATOM 3447 CE MET A 453 19.278 39.128 119.373 1.00 29.03 MOL1 C ATOM 3448 H MET A 453 23.647 40.996 117.237 1.00 0.00 MOL1 H ATOM 3449 N GLU A 454 22.492 39.847 114.320 1.00 19.28 MOL1 N ATOM 3450 CA GLU A 454 22.400 39.496 112.918 1.00 19.32 MOL1 C ATOM 3451 C GLU A 454 23.278 38.335 112.602 1.00 19.00 MOL1 C ATOM 3452 O GLU A 454 22.842 37.350 111.993 1.00 17.01 MOL1 O ATOM 3453 CB GLU A 454 22.872 40.534 111.983 1.00 23.98 MOL1 C ATOM 3454 CG GLU A 454 22.403 41.992 112.125 1.00 32.25 MOL1 C ATOM 3455 CD GLU A 454 22.700 42.868 110.894 1.00 34.46 MOL1 C ATOM 3456 OE1 GLU A 454 21.950 42.783 109.916 1.00 37.20 MOL1 O ATOM 3457 OE2 GLU A 454 23.675 43.633 110.898 1.00 36.92 MOL1 O ATOM 3458 H GLU A 454 22.680 40.770 114.578 1.00 0.00 MOL1 H ATOM 3459 N ILE A 455 24.511 38.448 113.107 1.00 19.68 MOL1 N ATOM 3460 CA ILE A 455 25.498 37.406 112.896 1.00 21.61 MOL1 C ATOM 3461 C ILE A 455 24.901 36.073 113.236 1.00 24.22 MOL1 C ATOM 3462 O ILE A 455 24.839 35.252 112.323 1.00 24.38 MOL1 O ATOM 3463 CB ILE A 455 26.721 37.581 113.742 1.00 20.71 MOL1 C ATOM 3464 CG1 ILE A 455 27.484 38.691 113.083 1.00 21.29 MOL1 C ATOM 3465 CG2 ILE A 455 27.588 36.338 113.815 1.00 20.43 MOL1 C ATOM 3466 CD1 ILE A 455 28.962 38.833 113.564 1.00 21.16 MOL1 C ATOM 3467 H ILE A 455 24.702 39.197 113.696 1.00 0.00 MOL1 H ATOM 3468 N VAL A 456 24.331 35.902 114.439 1.00 26.06 MOL1 N ATOM 3469 CA VAL A 456 23.826 34.588 114.811 1.00 27.07 MOL1 C ATOM 3470 C VAL A 456 22.483 34.218 114.228 1.00 29.93 MOL1 C ATOM 3471 O VAL A 456 22.051 33.043 114.274 1.00 26.59 MOL1 O ATOM 3472 CB VAL A 456 23.729 34.430 116.317 1.00 24.73 MOL1 C ATOM 3473 CG1 VAL A 456 25.138 34.515 116.831 1.00 22.37 MOL1 C ATOM 3474 CG2 VAL A 456 22.812 35.440 116.940 1.00 21.46 MOL1 C ATOM 3475 H VAL A 456 24.204 36.672 115.039 1.00 0.00 MOL1 H ATOM 3476 N THR A 457 21.791 35.228 113.692 1.00 33.85 MOL1 N ATOM 3477 CA THR A 457 20.534 34.906 113.020 1.00 36.26 MOL1 C ATOM 3478 C THR A 457 20.770 34.628 111.549 1.00 38.19 MOL1 C ATOM 3479 O THR A 457 19.786 34.518 110.794 1.00 39.11 MOL1 O ATOM 3480 CB THR A 457 19.534 36.062 113.194 1.00 33.49 MOL1 C ATOM 3481 OG1 THR A 457 20.147 37.334 113.124 1.00 32.51 MOL1 O ATOM 3482 CG2 THR A 457 18.971 35.971 114.556 1.00 35.02 MOL1 C ATOM 3483 H THR A 457 22.046 36.174 113.785 1.00 0.00 MOL1 H ATOM 3484 HG1 THR A 457 19.502 37.990 112.833 1.00 0.00 MOL1 H ATOM 3485 N TYR A 458 22.090 34.624 111.214 1.00 38.51 MOL1 N ATOM 3486 CA TYR A 458 22.647 34.392 109.903 1.00 40.93 MOL1 C ATOM 3487 C TYR A 458 22.010 35.372 108.948 1.00 44.87 MOL1 C ATOM 3488 O TYR A 458 21.349 35.028 107.970 1.00 46.40 MOL1 O ATOM 3489 CB TYR A 458 22.391 32.987 109.330 1.00 38.51 MOL1 C ATOM 3490 CG TYR A 458 22.968 31.800 110.062 1.00 36.35 MOL1 C ATOM 3491 CD1 TYR A 458 22.222 31.202 111.066 1.00 38.74 MOL1 C ATOM 3492 CD2 TYR A 458 24.225 31.326 109.757 1.00 35.08 MOL1 C ATOM 3493 CE1 TYR A 458 22.732 30.129 111.795 1.00 39.28 MOL1 C ATOM 3494 CE2 TYR A 458 24.748 30.258 110.478 1.00 37.74 MOL1 C ATOM 3495 CZ TYR A 458 24.004 29.667 111.501 1.00 39.31 MOL1 C ATOM 3496 OH TYR A 458 24.551 28.670 112.299 1.00 41.66 MOL1 O ATOM 3497 H TYR A 458 22.735 34.893 111.897 1.00 0.00 MOL1 H ATOM 3498 HH TYR A 458 25.406 28.427 111.907 1.00 0.00 MOL1 H ATOM 3499 N GLY A 459 22.110 36.640 109.295 1.00 49.02 MOL1 N ATOM 3500 CA GLY A 459 21.690 37.677 108.364 1.00 53.05 MOL1 C ATOM 3501 C GLY A 459 20.264 38.192 108.472 1.00 55.84 MOL1 C ATOM 3502 O GLY A 459 19.976 39.196 107.804 1.00 56.41 MOL1 O ATOM 3503 H GLY A 459 22.392 36.864 110.208 1.00 0.00 MOL1 H ATOM 3504 N ARG A 460 19.352 37.579 109.243 1.00 58.05 MOL1 N ATOM 3505 CA ARG A 460 17.999 38.114 109.377 1.00 61.39 MOL1 C ATOM 3506 C ARG A 460 17.963 39.574 109.851 1.00 63.13 MOL1 C ATOM 3507 O ARG A 460 18.583 39.895 110.866 1.00 65.15 MOL1 O ATOM 3508 CB ARG A 460 17.248 37.267 110.347 1.00 61.94 MOL1 C ATOM 3509 CG ARG A 460 15.804 37.694 110.462 1.00 64.27 MOL1 C ATOM 3510 CD ARG A 460 15.300 37.285 111.837 1.00 66.32 MOL1 C ATOM 3511 NE ARG A 460 15.685 38.247 112.867 1.00 68.06 MOL1 N ATOM 3512 CZ ARG A 460 15.627 37.954 114.182 1.00 69.67 MOL1 C ATOM 3513 NH1 ARG A 460 15.211 36.741 114.611 1.00 68.81 MOL1 N ATOM 3514 NH2 ARG A 460 15.971 38.908 115.077 1.00 69.74 MOL1 N ATOM 3515 H ARG A 460 19.589 36.722 109.658 1.00 0.00 MOL1 H ATOM 3516 HE ARG A 460 15.997 39.137 112.595 1.00 0.00 MOL1 H ATOM 3517 1HH1 ARG A 460 14.914 36.041 113.963 1.00 0.00 MOL1 H ATOM 3518 2HH1 ARG A 460 15.159 36.566 115.594 1.00 0.00 MOL1 H ATOM 3519 1HH2 ARG A 460 16.259 39.807 114.743 1.00 0.00 MOL1 H ATOM 3520 2HH2 ARG A 460 15.935 38.729 116.058 1.00 0.00 MOL1 H ATOM 3521 N ILE A 461 17.241 40.466 109.157 1.00 64.66 MOL1 N ATOM 3522 CA ILE A 461 17.151 41.887 109.490 1.00 65.22 MOL1 C ATOM 3523 C ILE A 461 16.481 42.064 110.856 1.00 64.91 MOL1 C ATOM 3524 O ILE A 461 15.538 41.334 111.191 1.00 64.26 MOL1 O ATOM 3525 CB ILE A 461 16.398 42.583 108.270 1.00 66.03 MOL1 C ATOM 3526 CG1 ILE A 461 17.420 42.676 107.116 1.00 68.96 MOL1 C ATOM 3527 CG2 ILE A 461 15.915 44.006 108.511 1.00 65.53 MOL1 C ATOM 3528 CD1 ILE A 461 18.848 43.306 107.308 1.00 70.28 MOL1 C ATOM 3529 H ILE A 461 16.747 40.151 108.377 1.00 0.00 MOL1 H ATOM 3530 N PRO A 462 17.019 42.965 111.701 1.00 65.14 MOL1 N ATOM 3531 CA PRO A 462 16.721 43.065 113.111 1.00 66.40 MOL1 C ATOM 3532 C PRO A 462 15.294 43.497 113.323 1.00 66.75 MOL1 C ATOM 3533 O PRO A 462 14.842 44.424 112.674 1.00 67.49 MOL1 O ATOM 3534 CB PRO A 462 17.730 44.078 113.660 1.00 65.69 MOL1 C ATOM 3535 CG PRO A 462 17.888 45.048 112.534 1.00 64.73 MOL1 C ATOM 3536 CD PRO A 462 17.941 44.058 111.365 1.00 66.10 MOL1 C ATOM 3537 N TYR A 463 14.607 42.897 114.276 1.00 67.06 MOL1 N ATOM 3538 CA TYR A 463 13.265 43.285 114.629 1.00 68.09 MOL1 C ATOM 3539 C TYR A 463 12.410 42.971 113.391 1.00 70.07 MOL1 C ATOM 3540 O TYR A 463 11.983 43.842 112.638 1.00 70.21 MOL1 O ATOM 3541 CB TYR A 463 13.213 44.828 115.029 1.00 66.18 MOL1 C ATOM 3542 CG TYR A 463 14.283 45.505 115.938 1.00 64.53 MOL1 C ATOM 3543 CD1 TYR A 463 14.286 45.413 117.347 1.00 62.90 MOL1 C ATOM 3544 CD2 TYR A 463 15.254 46.317 115.337 1.00 62.82 MOL1 C ATOM 3545 CE1 TYR A 463 15.233 46.127 118.116 1.00 60.24 MOL1 C ATOM 3546 CE2 TYR A 463 16.190 47.022 116.104 1.00 61.16 MOL1 C ATOM 3547 CZ TYR A 463 16.184 46.942 117.496 1.00 60.00 MOL1 C ATOM 3548 OH TYR A 463 17.111 47.679 118.232 1.00 56.11 MOL1 O ATOM 3549 H TYR A 463 14.989 42.104 114.695 1.00 0.00 MOL1 H ATOM 3550 HH TYR A 463 17.600 48.255 117.625 1.00 0.00 MOL1 H ATOM 3551 N PRO A 464 12.148 41.699 113.103 1.00 72.66 MOL1 N ATOM 3552 CA PRO A 464 11.090 41.261 112.195 1.00 76.42 MOL1 C ATOM 3553 C PRO A 464 9.706 41.805 112.486 1.00 80.26 MOL1 C ATOM 3554 O PRO A 464 9.336 42.035 113.641 1.00 80.99 MOL1 O ATOM 3555 CB PRO A 464 11.093 39.770 112.265 1.00 75.39 MOL1 C ATOM 3556 CG PRO A 464 12.569 39.572 112.404 1.00 75.06 MOL1 C ATOM 3557 CD PRO A 464 12.986 40.581 113.452 1.00 72.56 MOL1 C ATOM 3558 N GLY A 465 8.935 42.010 111.408 1.00 84.56 MOL1 N ATOM 3559 CA GLY A 465 7.572 42.537 111.458 1.00 88.11 MOL1 C ATOM 3560 C GLY A 465 7.594 44.069 111.365 1.00 90.37 MOL1 C ATOM 3561 O GLY A 465 7.084 44.684 110.403 1.00 91.10 MOL1 O ATOM 3562 H GLY A 465 9.341 41.898 110.526 1.00 0.00 MOL1 H ATOM 3563 N MET A 466 8.318 44.587 112.372 1.00 91.62 MOL1 N ATOM 3564 CA MET A 466 8.525 45.986 112.680 1.00 92.37 MOL1 C ATOM 3565 C MET A 466 8.886 46.816 111.479 1.00 92.38 MOL1 C ATOM 3566 O MET A 466 9.536 46.448 110.497 1.00 91.36 MOL1 O ATOM 3567 CB MET A 466 9.634 46.180 113.725 1.00 93.53 MOL1 C ATOM 3568 CG MET A 466 9.543 45.471 115.099 1.00 95.76 MOL1 C ATOM 3569 SD MET A 466 8.458 46.107 116.414 1.00 98.29 MOL1 S ATOM 3570 CE MET A 466 7.737 44.580 116.985 1.00 97.65 MOL1 C ATOM 3571 H MET A 466 8.784 43.952 112.949 1.00 0.00 MOL1 H ATOM 3572 N SER A 467 8.219 47.936 111.620 1.00 93.54 MOL1 N ATOM 3573 CA SER A 467 8.286 48.991 110.658 1.00 94.72 MOL1 C ATOM 3574 C SER A 467 9.041 50.070 111.414 1.00 94.44 MOL1 C ATOM 3575 O SER A 467 8.650 50.493 112.496 1.00 94.01 MOL1 O ATOM 3576 CB SER A 467 6.842 49.402 110.289 1.00 95.66 MOL1 C ATOM 3577 OG SER A 467 5.981 48.292 109.988 1.00 95.75 MOL1 O ATOM 3578 H SER A 467 7.642 48.069 112.395 1.00 0.00 MOL1 H ATOM 3579 HG SER A 467 5.087 48.631 109.855 1.00 0.00 MOL1 H ATOM 3580 N ASN A 468 10.162 50.471 110.847 1.00 95.09 MOL1 N ATOM 3581 CA ASN A 468 11.102 51.492 111.323 1.00 95.62 MOL1 C ATOM 3582 C ASN A 468 10.704 52.664 112.258 1.00 94.95 MOL1 C ATOM 3583 O ASN A 468 11.651 53.158 112.882 1.00 95.35 MOL1 O ATOM 3584 CB ASN A 468 11.832 52.108 110.080 1.00 97.46 MOL1 C ATOM 3585 CG ASN A 468 12.446 51.157 109.026 1.00 99.61 MOL1 C ATOM 3586 OD1 ASN A 468 12.013 50.017 108.851 1.00100.00 MOL1 O ATOM 3587 ND2 ASN A 468 13.427 51.520 108.206 1.00100.00 MOL1 N ATOM 3588 H ASN A 468 10.435 49.958 110.052 1.00 0.00 MOL1 H ATOM 3589 1HD2 ASN A 468 13.714 50.855 107.547 1.00 0.00 MOL1 H ATOM 3590 2HD2 ASN A 468 13.799 52.422 108.273 1.00 0.00 MOL1 H ATOM 3591 N PRO A 469 9.484 53.229 112.480 1.00 93.25 MOL1 N ATOM 3592 CA PRO A 469 9.181 53.934 113.718 1.00 91.11 MOL1 C ATOM 3593 C PRO A 469 8.566 53.007 114.747 1.00 90.05 MOL1 C ATOM 3594 O PRO A 469 8.810 53.264 115.918 1.00 88.32 MOL1 O ATOM 3595 CB PRO A 469 8.264 55.065 113.336 1.00 90.71 MOL1 C ATOM 3596 CG PRO A 469 8.438 55.159 111.855 1.00 91.21 MOL1 C ATOM 3597 CD PRO A 469 8.532 53.690 111.479 1.00 92.32 MOL1 C ATOM 3598 N GLU A 470 7.821 51.929 114.423 1.00 89.56 MOL1 N ATOM 3599 CA GLU A 470 7.270 50.978 115.396 1.00 90.11 MOL1 C ATOM 3600 C GLU A 470 8.259 50.561 116.481 1.00 92.38 MOL1 C ATOM 3601 O GLU A 470 7.866 50.255 117.615 1.00 93.86 MOL1 O ATOM 3602 CB GLU A 470 6.774 49.702 114.723 1.00 86.17 MOL1 C ATOM 3603 CG GLU A 470 5.495 49.920 113.940 1.00 83.57 MOL1 C ATOM 3604 CD GLU A 470 4.965 48.731 113.150 1.00 82.30 MOL1 C ATOM 3605 OE1 GLU A 470 5.541 47.648 113.215 1.00 81.13 MOL1 O ATOM 3606 OE2 GLU A 470 3.971 48.890 112.443 1.00 80.82 MOL1 O ATOM 3607 H GLU A 470 7.615 51.787 113.480 1.00 0.00 MOL1 H ATOM 3608 N VAL A 471 9.562 50.595 116.184 1.00 94.13 MOL1 N ATOM 3609 CA VAL A 471 10.543 50.324 117.215 1.00 96.32 MOL1 C ATOM 3610 C VAL A 471 10.868 51.581 118.010 1.00 96.83 MOL1 C ATOM 3611 O VAL A 471 11.234 51.384 119.169 1.00 97.55 MOL1 O ATOM 3612 CB VAL A 471 11.914 49.735 116.689 1.00 97.31 MOL1 C ATOM 3613 CG1 VAL A 471 11.573 48.542 115.805 1.00 97.75 MOL1 C ATOM 3614 CG2 VAL A 471 12.786 50.765 115.976 1.00 97.35 MOL1 C ATOM 3615 H VAL A 471 9.837 50.799 115.272 1.00 0.00 MOL1 H ATOM 3616 N ILE A 472 10.773 52.847 117.549 1.00 97.11 MOL1 N ATOM 3617 CA ILE A 472 11.064 53.993 118.423 1.00 98.07 MOL1 C ATOM 3618 C ILE A 472 10.119 53.948 119.638 1.00 99.54 MOL1 C ATOM 3619 O ILE A 472 10.489 54.310 120.764 1.00100.00 MOL1 O ATOM 3620 CB ILE A 472 10.931 55.407 117.683 1.00 97.11 MOL1 C ATOM 3621 CG1 ILE A 472 9.546 55.834 117.176 1.00 96.84 MOL1 C ATOM 3622 CG2 ILE A 472 11.876 55.290 116.514 1.00 95.45 MOL1 C ATOM 3623 CD1 ILE A 472 8.569 56.551 118.149 1.00 96.13 MOL1 C ATOM 3624 H ILE A 472 10.533 52.997 116.617 1.00 0.00 MOL1 H ATOM 3625 N ARG A 473 8.906 53.411 119.412 1.00100.00 MOL1 N ATOM 3626 CA ARG A 473 7.910 53.181 120.454 1.00100.00 MOL1 C ATOM 3627 C ARG A 473 8.326 52.037 121.382 1.00 99.56 MOL1 C ATOM 3628 O ARG A 473 8.234 52.139 122.614 1.00100.00 MOL1 O ATOM 3629 CB ARG A 473 6.558 52.880 119.791 1.00100.00 MOL1 C ATOM 3630 CG ARG A 473 5.897 54.162 119.264 1.00100.00 MOL1 C ATOM 3631 CD ARG A 473 4.578 53.857 118.578 1.00 99.65 MOL1 C ATOM 3632 NE ARG A 473 4.729 53.691 117.136 1.00 99.66 MOL1 N ATOM 3633 CZ ARG A 473 3.966 52.830 116.437 1.00100.00 MOL1 C ATOM 3634 NH1 ARG A 473 3.043 52.073 117.041 1.00100.00 MOL1 N ATOM 3635 NH2 ARG A 473 4.091 52.738 115.108 1.00 98.44 MOL1 N ATOM 3636 H ARG A 473 8.680 53.189 118.484 1.00 0.00 MOL1 H ATOM 3637 HE ARG A 473 5.426 54.197 116.671 1.00 0.00 MOL1 H ATOM 3638 1HH1 ARG A 473 2.906 52.128 118.030 1.00 0.00 MOL1 H ATOM 3639 2HH1 ARG A 473 2.487 51.443 116.498 1.00 0.00 MOL1 H ATOM 3640 1HH2 ARG A 473 4.766 53.302 114.634 1.00 0.00 MOL1 H ATOM 3641 2HH2 ARG A 473 3.524 52.093 114.596 1.00 0.00 MOL1 H ATOM 3642 N ALA A 474 8.809 50.931 120.828 1.00 98.56 MOL1 N ATOM 3643 CA ALA A 474 9.317 49.860 121.654 1.00 98.40 MOL1 C ATOM 3644 C ALA A 474 10.548 50.244 122.473 1.00 98.36 MOL1 C ATOM 3645 O ALA A 474 10.556 49.930 123.659 1.00 97.61 MOL1 O ATOM 3646 CB ALA A 474 9.658 48.680 120.783 1.00 99.24 MOL1 C ATOM 3647 H ALA A 474 8.787 50.826 119.854 1.00 0.00 MOL1 H ATOM 3648 N LEU A 475 11.596 50.921 121.974 1.00 98.67 MOL1 N ATOM 3649 CA LEU A 475 12.760 51.302 122.794 1.00 99.00 MOL1 C ATOM 3650 C LEU A 475 12.430 52.356 123.858 1.00 98.51 MOL1 C ATOM 3651 O LEU A 475 13.101 52.405 124.899 1.00 97.95 MOL1 O ATOM 3652 CB LEU A 475 13.949 51.902 121.982 1.00 99.41 MOL1 C ATOM 3653 CG LEU A 475 14.896 51.164 121.010 1.00 98.53 MOL1 C ATOM 3654 CD1 LEU A 475 16.067 52.115 120.693 1.00 96.65 MOL1 C ATOM 3655 CD2 LEU A 475 15.387 49.843 121.602 1.00 98.10 MOL1 C ATOM 3656 H LEU A 475 11.588 51.162 121.024 1.00 0.00 MOL1 H ATOM 3657 N GLU A 476 11.433 53.227 123.608 1.00 97.83 MOL1 N ATOM 3658 CA GLU A 476 10.954 54.177 124.608 1.00 96.91 MOL1 C ATOM 3659 C GLU A 476 10.328 53.349 125.737 1.00 96.18 MOL1 C ATOM 3660 O GLU A 476 10.457 53.714 126.905 1.00 96.28 MOL1 O ATOM 3661 CB GLU A 476 9.882 55.116 124.030 1.00 96.74 MOL1 C ATOM 3662 H GLU A 476 11.034 53.257 122.713 1.00 0.00 MOL1 H ATOM 3663 N ARG A 477 9.668 52.210 125.465 1.00 94.72 MOL1 N ATOM 3664 CA ARG A 477 9.216 51.336 126.544 1.00 92.92 MOL1 C ATOM 3665 C ARG A 477 10.205 50.172 126.788 1.00 91.00 MOL1 C ATOM 3666 O ARG A 477 9.818 49.079 127.227 1.00 91.64 MOL1 O ATOM 3667 CB ARG A 477 7.798 50.812 126.206 1.00 94.08 MOL1 C ATOM 3668 CG ARG A 477 7.636 49.847 125.051 1.00 95.88 MOL1 C ATOM 3669 CD ARG A 477 6.190 49.460 124.791 1.00 97.53 MOL1 C ATOM 3670 NE ARG A 477 6.190 48.597 123.620 1.00 99.43 MOL1 N ATOM 3671 CZ ARG A 477 5.959 49.056 122.380 1.00100.00 MOL1 C ATOM 3672 NH1 ARG A 477 5.698 50.346 122.155 1.00100.00 MOL1 N ATOM 3673 NH2 ARG A 477 6.078 48.228 121.332 1.00100.00 MOL1 N ATOM 3674 H ARG A 477 9.445 51.985 124.535 1.00 0.00 MOL1 H ATOM 3675 HE ARG A 477 6.388 47.645 123.740 1.00 0.00 MOL1 H ATOM 3676 1HH1 ARG A 477 5.671 51.003 122.908 1.00 0.00 MOL1 H ATOM 3677 2HH1 ARG A 477 5.537 50.657 121.218 1.00 0.00 MOL1 H ATOM 3678 1HH2 ARG A 477 6.335 47.273 121.481 1.00 0.00 MOL1 H ATOM 3679 2HH2 ARG A 477 5.907 48.563 120.405 1.00 0.00 MOL1 H ATOM 3680 N GLY A 478 11.504 50.399 126.482 1.00 87.48 MOL1 N ATOM 3681 CA GLY A 478 12.631 49.472 126.666 1.00 81.35 MOL1 C ATOM 3682 C GLY A 478 12.560 48.063 126.060 1.00 76.69 MOL1 C ATOM 3683 O GLY A 478 13.252 47.180 126.567 1.00 77.00 MOL1 O ATOM 3684 H GLY A 478 11.725 51.279 126.121 1.00 0.00 MOL1 H ATOM 3685 N TYR A 479 11.795 47.752 125.018 1.00 71.21 MOL1 N ATOM 3686 CA TYR A 479 11.744 46.407 124.476 1.00 65.48 MOL1 C ATOM 3687 C TYR A 479 13.073 46.061 123.858 1.00 61.31 MOL1 C ATOM 3688 O TYR A 479 13.795 46.939 123.380 1.00 59.87 MOL1 O ATOM 3689 CB TYR A 479 10.671 46.310 123.405 1.00 66.77 MOL1 C ATOM 3690 CG TYR A 479 10.625 45.044 122.551 1.00 67.76 MOL1 C ATOM 3691 CD1 TYR A 479 9.990 43.898 123.041 1.00 69.90 MOL1 C ATOM 3692 CD2 TYR A 479 11.220 45.027 121.281 1.00 68.05 MOL1 C ATOM 3693 CE1 TYR A 479 9.948 42.729 122.263 1.00 72.04 MOL1 C ATOM 3694 CE2 TYR A 479 11.184 43.864 120.498 1.00 70.69 MOL1 C ATOM 3695 CZ TYR A 479 10.545 42.708 120.989 1.00 72.12 MOL1 C ATOM 3696 OH TYR A 479 10.500 41.538 120.227 1.00 70.82 MOL1 O ATOM 3697 H TYR A 479 11.278 48.468 124.606 1.00 0.00 MOL1 H ATOM 3698 HH TYR A 479 10.045 40.859 120.731 1.00 0.00 MOL1 H ATOM 3699 N ARG A 480 13.386 44.770 123.891 1.00 56.80 MOL1 N ATOM 3700 CA ARG A 480 14.500 44.246 123.139 1.00 53.06 MOL1 C ATOM 3701 C ARG A 480 14.125 42.878 122.596 1.00 49.54 MOL1 C ATOM 3702 O ARG A 480 13.316 42.121 123.145 1.00 46.00 MOL1 O ATOM 3703 CB ARG A 480 15.737 44.137 123.983 1.00 55.30 MOL1 C ATOM 3704 CG ARG A 480 16.433 45.490 123.965 1.00 58.04 MOL1 C ATOM 3705 CD ARG A 480 16.120 46.163 125.282 1.00 58.59 MOL1 C ATOM 3706 NE ARG A 480 15.809 47.569 125.160 1.00 59.61 MOL1 N ATOM 3707 CZ ARG A 480 16.746 48.490 124.989 1.00 59.35 MOL1 C ATOM 3708 NH1 ARG A 480 18.014 48.154 124.901 1.00 56.07 MOL1 N ATOM 3709 NH2 ARG A 480 16.405 49.781 125.002 1.00 60.39 MOL1 N ATOM 3710 H ARG A 480 12.858 44.139 124.426 1.00 0.00 MOL1 H ATOM 3711 HE ARG A 480 14.873 47.852 125.166 1.00 0.00 MOL1 H ATOM 3712 1HH1 ARG A 480 18.300 47.202 125.004 1.00 0.00 MOL1 H ATOM 3713 2HH1 ARG A 480 18.702 48.869 124.771 1.00 0.00 MOL1 H ATOM 3714 1HH2 ARG A 480 15.445 50.047 125.102 1.00 0.00 MOL1 H ATOM 3715 2HH2 ARG A 480 17.099 50.484 124.844 1.00 0.00 MOL1 H ATOM 3716 N MET A 481 14.681 42.621 121.419 1.00 46.87 MOL1 N ATOM 3717 CA MET A 481 14.304 41.434 120.685 1.00 45.98 MOL1 C ATOM 3718 C MET A 481 14.905 40.172 121.255 1.00 45.43 MOL1 C ATOM 3719 O MET A 481 16.084 40.109 121.612 1.00 45.18 MOL1 O ATOM 3720 CB MET A 481 14.685 41.581 119.193 1.00 46.20 MOL1 C ATOM 3721 CG MET A 481 16.125 41.903 118.841 1.00 45.91 MOL1 C ATOM 3722 SD MET A 481 16.374 42.314 117.086 1.00 44.16 MOL1 S ATOM 3723 CE MET A 481 17.725 43.458 117.186 1.00 43.12 MOL1 C ATOM 3724 H MET A 481 15.389 43.203 121.083 1.00 0.00 MOL1 H ATOM 3725 N PRO A 482 14.075 39.149 121.392 1.00 45.40 MOL1 N ATOM 3726 CA PRO A 482 14.347 38.003 122.237 1.00 45.54 MOL1 C ATOM 3727 C PRO A 482 15.551 37.210 121.746 1.00 43.58 MOL1 C ATOM 3728 O PRO A 482 16.109 37.430 120.668 1.00 44.01 MOL1 O ATOM 3729 CB PRO A 482 13.058 37.185 122.210 1.00 46.90 MOL1 C ATOM 3730 CG PRO A 482 12.056 37.986 121.395 1.00 46.53 MOL1 C ATOM 3731 CD PRO A 482 12.964 38.822 120.497 1.00 46.86 MOL1 C ATOM 3732 N ARG A 483 15.911 36.206 122.533 1.00 40.90 MOL1 N ATOM 3733 CA ARG A 483 17.044 35.366 122.190 1.00 37.30 MOL1 C ATOM 3734 C ARG A 483 16.670 34.480 120.998 1.00 35.46 MOL1 C ATOM 3735 O ARG A 483 15.625 33.815 121.007 1.00 35.67 MOL1 O ATOM 3736 CB ARG A 483 17.393 34.511 123.407 1.00 35.54 MOL1 C ATOM 3737 CG ARG A 483 18.815 34.046 123.603 1.00 29.62 MOL1 C ATOM 3738 CD ARG A 483 18.755 32.980 124.670 1.00 26.74 MOL1 C ATOM 3739 NE ARG A 483 18.884 31.673 124.040 1.00 26.86 MOL1 N ATOM 3740 CZ ARG A 483 18.237 30.570 124.449 1.00 26.82 MOL1 C ATOM 3741 NH1 ARG A 483 17.380 30.567 125.485 1.00 28.20 MOL1 N ATOM 3742 NH2 ARG A 483 18.531 29.416 123.851 1.00 26.23 MOL1 N ATOM 3743 H ARG A 483 15.351 35.962 123.295 1.00 0.00 MOL1 H ATOM 3744 HE ARG A 483 19.492 31.585 123.278 1.00 0.00 MOL1 H ATOM 3745 1HH1 ARG A 483 17.200 31.407 125.997 1.00 0.00 MOL1 H ATOM 3746 2HH1 ARG A 483 16.942 29.710 125.758 1.00 0.00 MOL1 H ATOM 3747 1HH2 ARG A 483 19.216 29.396 123.120 1.00 0.00 MOL1 H ATOM 3748 2HH2 ARG A 483 18.079 28.573 124.136 1.00 0.00 MOL1 H ATOM 3749 N PRO A 484 17.501 34.401 119.963 1.00 33.88 MOL1 N ATOM 3750 CA PRO A 484 17.490 33.296 119.020 1.00 33.53 MOL1 C ATOM 3751 C PRO A 484 17.641 32.037 119.824 1.00 32.98 MOL1 C ATOM 3752 O PRO A 484 18.501 31.958 120.694 1.00 32.23 MOL1 O ATOM 3753 CB PRO A 484 18.657 33.573 118.114 1.00 33.24 MOL1 C ATOM 3754 CG PRO A 484 18.693 35.093 118.133 1.00 31.75 MOL1 C ATOM 3755 CD PRO A 484 18.486 35.406 119.592 1.00 32.11 MOL1 C ATOM 3756 N GLU A 485 16.792 31.077 119.581 1.00 34.35 MOL1 N ATOM 3757 CA GLU A 485 16.967 29.802 120.238 1.00 36.49 MOL1 C ATOM 3758 C GLU A 485 18.373 29.213 120.179 1.00 35.95 MOL1 C ATOM 3759 O GLU A 485 18.903 28.703 121.147 1.00 33.06 MOL1 O ATOM 3760 CB GLU A 485 15.997 28.824 119.623 1.00 40.40 MOL1 C ATOM 3761 CG GLU A 485 15.597 27.726 120.594 1.00 43.63 MOL1 C ATOM 3762 CD GLU A 485 14.940 28.277 121.863 1.00 47.61 MOL1 C ATOM 3763 OE1 GLU A 485 14.321 29.365 121.855 1.00 48.78 MOL1 O ATOM 3764 OE2 GLU A 485 15.064 27.598 122.889 1.00 50.70 MOL1 O ATOM 3765 H GLU A 485 15.995 31.272 119.048 1.00 0.00 MOL1 H ATOM 3766 N ASN A 486 19.009 29.323 119.014 1.00 38.43 MOL1 N ATOM 3767 CA ASN A 486 20.348 28.752 118.756 1.00 40.72 MOL1 C ATOM 3768 C ASN A 486 21.473 29.535 119.427 1.00 40.40 MOL1 C ATOM 3769 O ASN A 486 22.626 29.072 119.458 1.00 41.76 MOL1 O ATOM 3770 CB ASN A 486 20.684 28.714 117.236 1.00 39.76 MOL1 C ATOM 3771 CG ASN A 486 20.714 30.119 116.660 1.00 40.36 MOL1 C ATOM 3772 OD1 ASN A 486 19.773 30.883 116.894 1.00 43.27 MOL1 O ATOM 3773 ND2 ASN A 486 21.735 30.550 115.945 1.00 39.69 MOL1 N ATOM 3774 H ASN A 486 18.624 29.889 118.317 1.00 0.00 MOL1 H ATOM 3775 1HD2 ASN A 486 21.696 31.456 115.570 1.00 0.00 MOL1 H ATOM 3776 2HD2 ASN A 486 22.490 29.952 115.773 1.00 0.00 MOL1 H ATOM 3777 N CYS A 487 21.104 30.717 119.935 1.00 39.40 MOL1 N ATOM 3778 CA CYS A 487 22.013 31.694 120.504 1.00 36.02 MOL1 C ATOM 3779 C CYS A 487 22.368 31.237 121.907 1.00 37.43 MOL1 C ATOM 3780 O CYS A 487 21.527 30.603 122.542 1.00 40.39 MOL1 O ATOM 3781 CB CYS A 487 21.313 33.005 120.537 1.00 30.77 MOL1 C ATOM 3782 SG CYS A 487 22.495 34.217 121.078 1.00 22.79 MOL1 S ATOM 3783 H CYS A 487 20.156 30.874 120.114 1.00 0.00 MOL1 H ATOM 3784 N PRO A 488 23.565 31.404 122.465 1.00 37.06 MOL1 N ATOM 3785 CA PRO A 488 23.763 31.193 123.878 1.00 36.25 MOL1 C ATOM 3786 C PRO A 488 23.422 32.449 124.689 1.00 36.06 MOL1 C ATOM 3787 O PRO A 488 23.532 33.623 124.270 1.00 36.43 MOL1 O ATOM 3788 CB PRO A 488 25.195 30.704 123.915 1.00 35.51 MOL1 C ATOM 3789 CG PRO A 488 25.829 31.508 122.827 1.00 35.49 MOL1 C ATOM 3790 CD PRO A 488 24.815 31.444 121.735 1.00 36.82 MOL1 C ATOM 3791 N GLU A 489 22.976 32.127 125.908 1.00 34.97 MOL1 N ATOM 3792 CA GLU A 489 22.508 33.108 126.866 1.00 33.49 MOL1 C ATOM 3793 C GLU A 489 23.612 34.111 127.137 1.00 30.54 MOL1 C ATOM 3794 O GLU A 489 23.411 35.312 127.051 1.00 29.09 MOL1 O ATOM 3795 CB GLU A 489 22.052 32.371 128.156 1.00 35.89 MOL1 C ATOM 3796 CG GLU A 489 21.641 33.222 129.389 1.00 41.35 MOL1 C ATOM 3797 CD GLU A 489 20.648 34.412 129.256 1.00 45.95 MOL1 C ATOM 3798 OE1 GLU A 489 19.513 34.191 128.798 1.00 47.41 MOL1 O ATOM 3799 OE2 GLU A 489 20.994 35.563 129.635 1.00 47.73 MOL1 O ATOM 3800 H GLU A 489 22.917 31.173 126.134 1.00 0.00 MOL1 H ATOM 3801 N GLU A 490 24.833 33.638 127.273 1.00 27.77 MOL1 N ATOM 3802 CA GLU A 490 25.986 34.482 127.572 1.00 26.64 MOL1 C ATOM 3803 C GLU A 490 26.272 35.545 126.523 1.00 26.16 MOL1 C ATOM 3804 O GLU A 490 26.791 36.630 126.790 1.00 25.16 MOL1 O ATOM 3805 CB GLU A 490 27.238 33.621 127.723 1.00 27.78 MOL1 C ATOM 3806 CG GLU A 490 27.326 32.578 128.847 1.00 27.50 MOL1 C ATOM 3807 CD GLU A 490 26.449 31.338 128.706 1.00 29.42 MOL1 C ATOM 3808 OE1 GLU A 490 25.891 31.078 127.634 1.00 30.35 MOL1 O ATOM 3809 OE2 GLU A 490 26.329 30.616 129.691 1.00 28.68 MOL1 O ATOM 3810 H GLU A 490 24.917 32.683 127.141 1.00 0.00 MOL1 H ATOM 3811 N LEU A 491 25.896 35.178 125.298 1.00 26.03 MOL1 N ATOM 3812 CA LEU A 491 26.104 35.980 124.133 1.00 25.17 MOL1 C ATOM 3813 C LEU A 491 25.070 37.045 124.249 1.00 27.60 MOL1 C ATOM 3814 O LEU A 491 25.394 38.237 124.159 1.00 23.51 MOL1 O ATOM 3815 CB LEU A 491 25.883 35.149 122.903 1.00 23.64 MOL1 C ATOM 3816 CG LEU A 491 26.134 35.769 121.549 1.00 23.88 MOL1 C ATOM 3817 CD1 LEU A 491 27.562 36.198 121.333 1.00 24.58 MOL1 C ATOM 3818 CD2 LEU A 491 25.925 34.689 120.547 1.00 24.05 MOL1 C ATOM 3819 H LEU A 491 25.380 34.358 125.200 1.00 0.00 MOL1 H ATOM 3820 N TYR A 492 23.836 36.562 124.550 1.00 32.17 MOL1 N ATOM 3821 CA TYR A 492 22.694 37.463 124.652 1.00 37.39 MOL1 C ATOM 3822 C TYR A 492 23.048 38.526 125.650 1.00 37.26 MOL1 C ATOM 3823 O TYR A 492 22.862 39.715 125.375 1.00 36.59 MOL1 O ATOM 3824 CB TYR A 492 21.364 36.779 125.135 1.00 41.59 MOL1 C ATOM 3825 CG TYR A 492 20.086 37.686 125.098 1.00 46.02 MOL1 C ATOM 3826 CD1 TYR A 492 19.785 38.540 126.176 1.00 48.32 MOL1 C ATOM 3827 CD2 TYR A 492 19.201 37.691 123.996 1.00 47.45 MOL1 C ATOM 3828 CE1 TYR A 492 18.670 39.388 126.144 1.00 49.45 MOL1 C ATOM 3829 CE2 TYR A 492 18.077 38.538 123.960 1.00 49.49 MOL1 C ATOM 3830 CZ TYR A 492 17.819 39.389 125.043 1.00 49.76 MOL1 C ATOM 3831 OH TYR A 492 16.714 40.227 125.061 1.00 50.88 MOL1 O ATOM 3832 H TYR A 492 23.676 35.610 124.677 1.00 0.00 MOL1 H ATOM 3833 HH TYR A 492 16.377 40.284 124.156 1.00 0.00 MOL1 H ATOM 3834 N ASN A 493 23.662 38.077 126.740 1.00 38.28 MOL1 N ATOM 3835 CA ASN A 493 24.024 38.966 127.813 1.00 39.65 MOL1 C ATOM 3836 C ASN A 493 24.952 39.998 127.185 1.00 41.40 MOL1 C ATOM 3837 O ASN A 493 24.721 41.197 127.412 1.00 43.70 MOL1 O ATOM 3838 CB ASN A 493 24.702 38.178 128.892 1.00 36.91 MOL1 C ATOM 3839 CG ASN A 493 24.738 38.826 130.255 1.00 34.87 MOL1 C ATOM 3840 OD1 ASN A 493 24.907 38.064 131.200 1.00 37.92 MOL1 O ATOM 3841 ND2 ASN A 493 24.626 40.117 130.532 1.00 27.30 MOL1 N ATOM 3842 H ASN A 493 23.877 37.127 126.809 1.00 0.00 MOL1 H ATOM 3843 1HD2 ASN A 493 24.668 40.387 131.473 1.00 0.00 MOL1 H ATOM 3844 2HD2 ASN A 493 24.516 40.745 129.787 1.00 0.00 MOL1 H ATOM 3845 N ILE A 494 25.862 39.644 126.278 1.00 40.96 MOL1 N ATOM 3846 CA ILE A 494 26.691 40.677 125.682 1.00 40.60 MOL1 C ATOM 3847 C ILE A 494 25.784 41.644 124.923 1.00 39.11 MOL1 C ATOM 3848 O ILE A 494 25.765 42.841 125.187 1.00 37.94 MOL1 O ATOM 3849 CB ILE A 494 27.742 40.029 124.741 1.00 42.57 MOL1 C ATOM 3850 CG1 ILE A 494 28.571 38.939 125.439 1.00 42.40 MOL1 C ATOM 3851 CG2 ILE A 494 28.657 41.146 124.251 1.00 41.43 MOL1 C ATOM 3852 CD1 ILE A 494 29.428 39.447 126.636 1.00 45.09 MOL1 C ATOM 3853 H ILE A 494 25.987 38.709 126.034 1.00 0.00 MOL1 H ATOM 3854 N MET A 495 24.886 41.133 124.111 1.00 38.42 MOL1 N ATOM 3855 CA MET A 495 24.021 41.996 123.303 1.00 39.42 MOL1 C ATOM 3856 C MET A 495 23.228 43.062 124.027 1.00 39.22 MOL1 C ATOM 3857 O MET A 495 23.279 44.268 123.767 1.00 36.41 MOL1 O ATOM 3858 CB MET A 495 23.025 41.176 122.565 1.00 39.93 MOL1 C ATOM 3859 CG MET A 495 23.755 40.215 121.714 1.00 41.41 MOL1 C ATOM 3860 SD MET A 495 22.482 39.543 120.666 1.00 41.53 MOL1 S ATOM 3861 CE MET A 495 23.641 38.358 120.012 1.00 45.50 MOL1 C ATOM 3862 H MET A 495 24.808 40.154 124.098 1.00 0.00 MOL1 H ATOM 3863 N MET A 496 22.537 42.498 125.011 1.00 41.26 MOL1 N ATOM 3864 CA MET A 496 21.646 43.175 125.917 1.00 42.90 MOL1 C ATOM 3865 C MET A 496 22.433 44.227 126.669 1.00 43.80 MOL1 C ATOM 3866 O MET A 496 21.943 45.334 126.811 1.00 43.50 MOL1 O ATOM 3867 CB MET A 496 21.079 42.123 126.827 1.00 43.36 MOL1 C ATOM 3868 CG MET A 496 19.816 42.542 127.529 1.00 47.49 MOL1 C ATOM 3869 SD MET A 496 18.455 43.127 126.476 1.00 51.86 MOL1 S ATOM 3870 CE MET A 496 18.496 44.765 127.197 1.00 51.69 MOL1 C ATOM 3871 H MET A 496 22.661 41.544 125.158 1.00 0.00 MOL1 H ATOM 3872 N ARG A 497 23.670 43.951 127.084 1.00 44.55 MOL1 N ATOM 3873 CA ARG A 497 24.519 44.933 127.727 1.00 45.60 MOL1 C ATOM 3874 C ARG A 497 24.972 46.043 126.785 1.00 47.69 MOL1 C ATOM 3875 O ARG A 497 25.428 47.141 127.124 1.00 47.66 MOL1 O ATOM 3876 CB ARG A 497 25.715 44.227 128.280 1.00 45.27 MOL1 C ATOM 3877 CG ARG A 497 25.446 43.417 129.551 1.00 44.42 MOL1 C ATOM 3878 CD ARG A 497 26.768 42.895 130.146 1.00 43.15 MOL1 C ATOM 3879 NE ARG A 497 27.633 44.016 130.504 1.00 41.50 MOL1 N ATOM 3880 CZ ARG A 497 28.832 43.859 131.059 1.00 41.43 MOL1 C ATOM 3881 NH1 ARG A 497 29.328 42.630 131.330 1.00 39.51 MOL1 N ATOM 3882 NH2 ARG A 497 29.520 44.989 131.303 1.00 40.40 MOL1 N ATOM 3883 H ARG A 497 24.040 43.063 126.875 1.00 0.00 MOL1 H ATOM 3884 HE ARG A 497 27.321 44.930 130.340 1.00 0.00 MOL1 H ATOM 3885 1HH1 ARG A 497 28.800 41.814 131.103 1.00 0.00 MOL1 H ATOM 3886 2HH1 ARG A 497 30.230 42.537 131.751 1.00 0.00 MOL1 H ATOM 3887 1HH2 ARG A 497 29.128 45.877 131.065 1.00 0.00 MOL1 H ATOM 3888 2HH2 ARG A 497 30.424 44.947 131.728 1.00 0.00 MOL1 H ATOM 3889 N CYS A 498 24.923 45.714 125.520 1.00 51.07 MOL1 N ATOM 3890 CA CYS A 498 25.176 46.729 124.552 1.00 54.06 MOL1 C ATOM 3891 C CYS A 498 23.927 47.570 124.488 1.00 55.44 MOL1 C ATOM 3892 O CYS A 498 24.032 48.777 124.348 1.00 55.15 MOL1 O ATOM 3893 CB CYS A 498 25.509 46.067 123.231 1.00 55.24 MOL1 C ATOM 3894 SG CYS A 498 27.188 45.363 123.274 1.00 56.29 MOL1 S ATOM 3895 H CYS A 498 24.782 44.786 125.236 1.00 0.00 MOL1 H ATOM 3896 N TRP A 499 22.726 47.041 124.675 1.00 58.58 MOL1 N ATOM 3897 CA TRP A 499 21.530 47.854 124.569 1.00 62.00 MOL1 C ATOM 3898 C TRP A 499 21.114 48.493 125.912 1.00 64.54 MOL1 C ATOM 3899 O TRP A 499 19.983 48.435 126.398 1.00 63.78 MOL1 O ATOM 3900 CB TRP A 499 20.498 46.910 123.936 1.00 62.27 MOL1 C ATOM 3901 CG TRP A 499 20.956 46.310 122.597 1.00 63.31 MOL1 C ATOM 3902 CD1 TRP A 499 22.001 46.835 121.870 1.00 64.03 MOL1 C ATOM 3903 CD2 TRP A 499 20.476 45.169 122.020 1.00 63.58 MOL1 C ATOM 3904 NE1 TRP A 499 22.209 46.032 120.866 1.00 63.39 MOL1 N ATOM 3905 CE2 TRP A 499 21.332 45.029 120.919 1.00 63.58 MOL1 C ATOM 3906 CE3 TRP A 499 19.478 44.230 122.250 1.00 64.50 MOL1 C ATOM 3907 CZ2 TRP A 499 21.203 43.955 120.042 1.00 65.06 MOL1 C ATOM 3908 CZ3 TRP A 499 19.350 43.150 121.363 1.00 65.27 MOL1 C ATOM 3909 CH2 TRP A 499 20.207 43.007 120.269 1.00 64.88 MOL1 C ATOM 3910 H TRP A 499 22.619 46.097 124.912 1.00 0.00 MOL1 H ATOM 3911 HE1 TRP A 499 22.834 46.246 120.138 1.00 0.00 MOL1 H ATOM 3912 N LYS A 500 22.089 49.183 126.518 1.00 68.00 MOL1 N ATOM 3913 CA LYS A 500 21.980 49.813 127.833 1.00 71.68 MOL1 C ATOM 3914 C LYS A 500 21.676 51.313 127.688 1.00 73.03 MOL1 C ATOM 3915 O LYS A 500 22.537 52.038 127.193 1.00 74.44 MOL1 O ATOM 3916 CB LYS A 500 23.328 49.512 128.557 1.00 72.91 MOL1 C ATOM 3917 CG LYS A 500 23.804 50.281 129.797 1.00 75.40 MOL1 C ATOM 3918 CD LYS A 500 23.014 50.098 131.108 1.00 78.93 MOL1 C ATOM 3919 CE LYS A 500 21.746 50.975 131.257 1.00 79.19 MOL1 C ATOM 3920 NZ LYS A 500 21.029 50.653 132.481 1.00 79.92 MOL1 N ATOM 3921 H LYS A 500 22.921 49.336 126.012 1.00 0.00 MOL1 H ATOM 3922 1HZ LYS A 500 20.788 49.641 132.462 1.00 0.00 MOL1 H ATOM 3923 2HZ LYS A 500 21.647 50.840 133.299 1.00 0.00 MOL1 H ATOM 3924 3HZ LYS A 500 20.160 51.219 132.555 1.00 0.00 MOL1 H ATOM 3925 N ASN A 501 20.555 51.901 128.158 1.00 74.09 MOL1 N ATOM 3926 CA ASN A 501 20.225 53.303 127.830 1.00 73.95 MOL1 C ATOM 3927 C ASN A 501 21.203 54.399 128.187 1.00 73.22 MOL1 C ATOM 3928 O ASN A 501 21.252 55.446 127.548 1.00 71.34 MOL1 O ATOM 3929 CB ASN A 501 18.856 53.660 128.421 1.00 74.79 MOL1 C ATOM 3930 CG ASN A 501 17.771 52.857 127.694 1.00 77.47 MOL1 C ATOM 3931 OD1 ASN A 501 17.686 51.641 127.883 1.00 79.81 MOL1 O ATOM 3932 ND2 ASN A 501 16.927 53.407 126.825 1.00 76.96 MOL1 N ATOM 3933 H ASN A 501 19.893 51.352 128.630 1.00 0.00 MOL1 H ATOM 3934 1HD2 ASN A 501 16.259 52.805 126.436 1.00 0.00 MOL1 H ATOM 3935 2HD2 ASN A 501 16.988 54.362 126.619 1.00 0.00 MOL1 H ATOM 3936 N ARG A 502 22.032 54.150 129.183 1.00 74.40 MOL1 N ATOM 3937 CA ARG A 502 23.051 55.097 129.583 1.00 75.77 MOL1 C ATOM 3938 C ARG A 502 24.352 54.680 128.899 1.00 73.17 MOL1 C ATOM 3939 O ARG A 502 25.046 53.838 129.470 1.00 72.16 MOL1 O ATOM 3940 CB ARG A 502 23.276 55.067 131.104 1.00 81.23 MOL1 C ATOM 3941 CG ARG A 502 22.122 55.247 132.106 1.00 87.65 MOL1 C ATOM 3942 CD ARG A 502 22.599 54.830 133.526 1.00 93.12 MOL1 C ATOM 3943 NE ARG A 502 22.890 53.392 133.631 1.00 97.16 MOL1 N ATOM 3944 CZ ARG A 502 23.369 52.767 134.726 1.00 98.76 MOL1 C ATOM 3945 NH1 ARG A 502 23.649 53.388 135.881 1.00 99.42 MOL1 N ATOM 3946 NH2 ARG A 502 23.575 51.452 134.642 1.00100.00 MOL1 N ATOM 3947 H ARG A 502 22.016 53.273 129.609 1.00 0.00 MOL1 H ATOM 3948 HE ARG A 502 22.746 52.842 132.834 1.00 0.00 MOL1 H ATOM 3949 1HH1 ARG A 502 23.509 54.375 135.964 1.00 0.00 MOL1 H ATOM 3950 2HH1 ARG A 502 24.004 52.867 136.657 1.00 0.00 MOL1 H ATOM 3951 1HH2 ARG A 502 23.384 50.979 133.781 1.00 0.00 MOL1 H ATOM 3952 2HH2 ARG A 502 23.934 50.945 135.426 1.00 0.00 MOL1 H ATOM 3953 N PRO A 503 24.787 55.235 127.762 1.00 71.66 MOL1 N ATOM 3954 CA PRO A 503 26.062 54.973 127.082 1.00 71.18 MOL1 C ATOM 3955 C PRO A 503 27.270 54.457 127.873 1.00 70.88 MOL1 C ATOM 3956 O PRO A 503 27.961 53.467 127.625 1.00 69.03 MOL1 O ATOM 3957 CB PRO A 503 26.343 56.293 126.405 1.00 70.68 MOL1 C ATOM 3958 CG PRO A 503 24.989 56.716 125.940 1.00 70.61 MOL1 C ATOM 3959 CD PRO A 503 24.071 56.295 127.064 1.00 71.56 MOL1 C ATOM 3960 N GLU A 504 27.383 55.235 128.921 1.00 71.47 MOL1 N ATOM 3961 CA GLU A 504 28.389 55.179 129.947 1.00 72.51 MOL1 C ATOM 3962 C GLU A 504 28.619 53.775 130.480 1.00 72.01 MOL1 C ATOM 3963 O GLU A 504 29.775 53.398 130.668 1.00 73.70 MOL1 O ATOM 3964 CB GLU A 504 27.944 56.105 131.078 1.00 75.03 MOL1 C ATOM 3965 CG GLU A 504 27.579 57.589 130.748 1.00 78.64 MOL1 C ATOM 3966 CD GLU A 504 26.299 57.916 129.955 1.00 80.76 MOL1 C ATOM 3967 OE1 GLU A 504 25.186 57.672 130.439 1.00 81.02 MOL1 O ATOM 3968 OE2 GLU A 504 26.429 58.430 128.841 1.00 81.67 MOL1 O ATOM 3969 H GLU A 504 26.649 55.856 129.042 1.00 0.00 MOL1 H ATOM 3970 N GLU A 505 27.521 53.022 130.703 1.00 70.50 MOL1 N ATOM 3971 CA GLU A 505 27.533 51.665 131.253 1.00 68.15 MOL1 C ATOM 3972 C GLU A 505 27.316 50.565 130.223 1.00 63.25 MOL1 C ATOM 3973 O GLU A 505 26.882 49.441 130.513 1.00 62.90 MOL1 O ATOM 3974 CB GLU A 505 26.467 51.533 132.334 1.00 74.09 MOL1 C ATOM 3975 CG GLU A 505 26.791 52.244 133.666 1.00 82.21 MOL1 C ATOM 3976 CD GLU A 505 27.674 51.529 134.711 1.00 87.25 MOL1 C ATOM 3977 OE1 GLU A 505 28.236 50.444 134.442 1.00 89.49 MOL1 O ATOM 3978 OE2 GLU A 505 27.779 52.085 135.821 1.00 89.63 MOL1 O ATOM 3979 H GLU A 505 26.660 53.355 130.383 1.00 0.00 MOL1 H ATOM 3980 N ARG A 506 27.606 50.939 128.983 1.00 57.44 MOL1 N ATOM 3981 CA ARG A 506 27.678 49.998 127.905 1.00 50.22 MOL1 C ATOM 3982 C ARG A 506 29.185 49.757 127.791 1.00 45.72 MOL1 C ATOM 3983 O ARG A 506 30.042 50.637 127.979 1.00 45.76 MOL1 O ATOM 3984 CB ARG A 506 27.247 50.569 126.643 1.00 51.14 MOL1 C ATOM 3985 CG ARG A 506 25.793 50.727 126.505 1.00 53.08 MOL1 C ATOM 3986 CD ARG A 506 25.819 51.808 125.446 1.00 55.11 MOL1 C ATOM 3987 NE ARG A 506 24.505 52.206 125.004 1.00 56.26 MOL1 N ATOM 3988 CZ ARG A 506 24.300 53.255 124.219 1.00 56.81 MOL1 C ATOM 3989 NH1 ARG A 506 25.291 54.049 123.786 1.00 55.71 MOL1 N ATOM 3990 NH2 ARG A 506 23.039 53.462 123.858 1.00 58.54 MOL1 N ATOM 3991 H ARG A 506 27.978 51.828 128.805 1.00 0.00 MOL1 H ATOM 3992 HE ARG A 506 23.732 51.706 125.334 1.00 0.00 MOL1 H ATOM 3993 1HH1 ARG A 506 26.235 53.883 124.069 1.00 0.00 MOL1 H ATOM 3994 2HH1 ARG A 506 25.084 54.827 123.191 1.00 0.00 MOL1 H ATOM 3995 1HH2 ARG A 506 22.325 52.858 124.209 1.00 0.00 MOL1 H ATOM 3996 2HH2 ARG A 506 22.803 54.234 123.267 1.00 0.00 MOL1 H ATOM 3997 N PRO A 507 29.559 48.521 127.529 1.00 40.61 MOL1 N ATOM 3998 CA PRO A 507 30.931 48.047 127.698 1.00 37.94 MOL1 C ATOM 3999 C PRO A 507 31.939 48.580 126.738 1.00 36.75 MOL1 C ATOM 4000 O PRO A 507 31.573 49.001 125.655 1.00 36.97 MOL1 O ATOM 4001 CB PRO A 507 30.836 46.572 127.590 1.00 38.85 MOL1 C ATOM 4002 CG PRO A 507 29.337 46.293 127.854 1.00 40.87 MOL1 C ATOM 4003 CD PRO A 507 28.613 47.450 127.217 1.00 38.94 MOL1 C ATOM 4004 N THR A 508 33.221 48.550 127.044 1.00 37.87 MOL1 N ATOM 4005 CA THR A 508 34.180 48.971 126.052 1.00 38.74 MOL1 C ATOM 4006 C THR A 508 34.469 47.872 125.057 1.00 39.71 MOL1 C ATOM 4007 O THR A 508 34.499 46.676 125.413 1.00 40.11 MOL1 O ATOM 4008 CB THR A 508 35.470 49.440 126.731 1.00 38.54 MOL1 C ATOM 4009 OG1 THR A 508 35.825 48.687 127.873 1.00 38.58 MOL1 O ATOM 4010 CG2 THR A 508 35.226 50.860 127.128 1.00 41.89 MOL1 C ATOM 4011 H THR A 508 33.536 48.288 127.929 1.00 0.00 MOL1 H ATOM 4012 HG1 THR A 508 36.441 49.188 128.426 1.00 0.00 MOL1 H ATOM 4013 N PHE A 509 34.675 48.263 123.784 1.00 40.22 MOL1 N ATOM 4014 CA PHE A 509 35.052 47.292 122.764 1.00 40.07 MOL1 C ATOM 4015 C PHE A 509 36.327 46.621 123.260 1.00 39.68 MOL1 C ATOM 4016 O PHE A 509 36.565 45.512 122.828 1.00 39.97 MOL1 O ATOM 4017 CB PHE A 509 35.265 47.959 121.349 1.00 40.12 MOL1 C ATOM 4018 CG PHE A 509 33.973 48.321 120.571 1.00 38.38 MOL1 C ATOM 4019 CD1 PHE A 509 33.037 47.319 120.211 1.00 37.07 MOL1 C ATOM 4020 CD2 PHE A 509 33.685 49.656 120.236 1.00 36.73 MOL1 C ATOM 4021 CE1 PHE A 509 31.839 47.649 119.553 1.00 34.98 MOL1 C ATOM 4022 CE2 PHE A 509 32.473 49.975 119.588 1.00 36.22 MOL1 C ATOM 4023 CZ PHE A 509 31.555 48.977 119.243 1.00 34.67 MOL1 C ATOM 4024 H PHE A 509 34.481 49.184 123.515 1.00 0.00 MOL1 H ATOM 4025 N GLU A 510 37.124 47.180 124.196 1.00 40.61 MOL1 N ATOM 4026 CA GLU A 510 38.148 46.417 124.933 1.00 41.48 MOL1 C ATOM 4027 C GLU A 510 37.518 45.158 125.601 1.00 39.18 MOL1 C ATOM 4028 O GLU A 510 37.904 44.035 125.239 1.00 37.15 MOL1 O ATOM 4029 CB GLU A 510 38.830 47.343 126.025 1.00 43.77 MOL1 C ATOM 4030 CG GLU A 510 40.189 46.822 126.628 1.00 50.83 MOL1 C ATOM 4031 CD GLU A 510 41.153 47.746 127.453 1.00 54.48 MOL1 C ATOM 4032 OE1 GLU A 510 40.811 48.876 127.809 1.00 58.66 MOL1 O ATOM 4033 OE2 GLU A 510 42.283 47.350 127.762 1.00 54.97 MOL1 O ATOM 4034 H GLU A 510 37.072 48.141 124.334 1.00 0.00 MOL1 H ATOM 4035 N TYR A 511 36.485 45.276 126.477 1.00 37.83 MOL1 N ATOM 4036 CA TYR A 511 35.886 44.145 127.213 1.00 36.49 MOL1 C ATOM 4037 C TYR A 511 35.344 43.219 126.161 1.00 33.81 MOL1 C ATOM 4038 O TYR A 511 35.711 42.029 126.163 1.00 33.14 MOL1 O ATOM 4039 CB TYR A 511 34.661 44.523 128.196 1.00 38.46 MOL1 C ATOM 4040 CG TYR A 511 33.901 43.411 129.008 1.00 40.91 MOL1 C ATOM 4041 CD1 TYR A 511 34.566 42.501 129.882 1.00 41.85 MOL1 C ATOM 4042 CD2 TYR A 511 32.495 43.263 128.856 1.00 41.76 MOL1 C ATOM 4043 CE1 TYR A 511 33.864 41.474 130.573 1.00 43.02 MOL1 C ATOM 4044 CE2 TYR A 511 31.791 42.240 129.549 1.00 44.63 MOL1 C ATOM 4045 CZ TYR A 511 32.465 41.334 130.412 1.00 44.92 MOL1 C ATOM 4046 OH TYR A 511 31.753 40.309 131.068 1.00 44.47 MOL1 O ATOM 4047 H TYR A 511 36.091 46.158 126.606 1.00 0.00 MOL1 H ATOM 4048 HH TYR A 511 32.234 40.065 131.866 1.00 0.00 MOL1 H ATOM 4049 N ILE A 512 34.597 43.802 125.215 1.00 29.30 MOL1 N ATOM 4050 CA ILE A 512 33.919 42.961 124.257 1.00 25.69 MOL1 C ATOM 4051 C ILE A 512 34.829 41.958 123.559 1.00 26.83 MOL1 C ATOM 4052 O ILE A 512 34.592 40.733 123.601 1.00 24.69 MOL1 O ATOM 4053 CB ILE A 512 33.221 43.862 123.306 1.00 20.17 MOL1 C ATOM 4054 CG1 ILE A 512 32.145 44.585 124.077 1.00 17.09 MOL1 C ATOM 4055 CG2 ILE A 512 32.670 43.057 122.163 1.00 18.01 MOL1 C ATOM 4056 CD1 ILE A 512 31.145 45.412 123.295 1.00 15.10 MOL1 C ATOM 4057 H ILE A 512 34.520 44.775 125.188 1.00 0.00 MOL1 H ATOM 4058 N GLN A 513 35.949 42.532 123.086 1.00 27.98 MOL1 N ATOM 4059 CA GLN A 513 37.016 41.777 122.455 1.00 29.16 MOL1 C ATOM 4060 C GLN A 513 37.527 40.676 123.380 1.00 28.95 MOL1 C ATOM 4061 O GLN A 513 37.509 39.507 122.996 1.00 27.09 MOL1 O ATOM 4062 CB GLN A 513 38.134 42.707 122.113 1.00 29.83 MOL1 C ATOM 4063 CG GLN A 513 39.234 41.964 121.430 1.00 35.37 MOL1 C ATOM 4064 CD GLN A 513 40.476 42.827 121.164 1.00 40.18 MOL1 C ATOM 4065 OE1 GLN A 513 41.641 42.437 121.367 1.00 43.01 MOL1 O ATOM 4066 NE2 GLN A 513 40.298 44.032 120.637 1.00 42.60 MOL1 N ATOM 4067 H GLN A 513 36.050 43.502 123.165 1.00 0.00 MOL1 H ATOM 4068 1HE2 GLN A 513 41.113 44.548 120.514 1.00 0.00 MOL1 H ATOM 4069 2HE2 GLN A 513 39.401 44.342 120.387 1.00 0.00 MOL1 H ATOM 4070 N SER A 514 37.873 41.023 124.614 1.00 29.41 MOL1 N ATOM 4071 CA SER A 514 38.342 40.085 125.635 1.00 31.27 MOL1 C ATOM 4072 C SER A 514 37.463 38.861 125.868 1.00 30.48 MOL1 C ATOM 4073 O SER A 514 37.957 37.742 126.091 1.00 30.76 MOL1 O ATOM 4074 CB SER A 514 38.453 40.778 126.963 1.00 34.88 MOL1 C ATOM 4075 OG SER A 514 39.028 42.059 126.729 1.00 41.89 MOL1 O ATOM 4076 H SER A 514 37.736 41.960 124.857 1.00 0.00 MOL1 H ATOM 4077 HG SER A 514 38.472 42.589 126.154 1.00 0.00 MOL1 H ATOM 4078 N VAL A 515 36.143 39.127 125.845 1.00 29.56 MOL1 N ATOM 4079 CA VAL A 515 35.165 38.104 126.130 1.00 28.51 MOL1 C ATOM 4080 C VAL A 515 35.031 37.216 124.903 1.00 28.92 MOL1 C ATOM 4081 O VAL A 515 35.192 35.984 125.022 1.00 30.81 MOL1 O ATOM 4082 CB VAL A 515 33.740 38.679 126.451 1.00 27.48 MOL1 C ATOM 4083 CG1 VAL A 515 32.883 37.588 127.081 1.00 25.40 MOL1 C ATOM 4084 CG2 VAL A 515 33.794 39.795 127.432 1.00 26.12 MOL1 C ATOM 4085 H VAL A 515 35.852 40.038 125.618 1.00 0.00 MOL1 H ATOM 4086 N LEU A 516 34.741 37.810 123.731 1.00 25.86 MOL1 N ATOM 4087 CA LEU A 516 34.427 36.990 122.583 1.00 23.14 MOL1 C ATOM 4088 C LEU A 516 35.687 36.287 122.141 1.00 25.05 MOL1 C ATOM 4089 O LEU A 516 35.612 35.152 121.669 1.00 26.00 MOL1 O ATOM 4090 CB LEU A 516 33.868 37.840 121.474 1.00 17.76 MOL1 C ATOM 4091 CG LEU A 516 32.602 38.610 121.801 1.00 14.68 MOL1 C ATOM 4092 CD1 LEU A 516 32.496 39.754 120.823 1.00 14.04 MOL1 C ATOM 4093 CD2 LEU A 516 31.376 37.723 121.731 1.00 11.54 MOL1 C ATOM 4094 H LEU A 516 34.742 38.785 123.656 1.00 0.00 MOL1 H ATOM 4095 N ASP A 517 36.862 36.871 122.390 1.00 27.15 MOL1 N ATOM 4096 CA ASP A 517 38.109 36.247 121.981 1.00 30.89 MOL1 C ATOM 4097 C ASP A 517 38.254 34.847 122.601 1.00 32.60 MOL1 C ATOM 4098 O ASP A 517 38.478 33.871 121.880 1.00 33.93 MOL1 O ATOM 4099 CB ASP A 517 39.312 37.128 122.401 1.00 33.78 MOL1 C ATOM 4100 CG ASP A 517 40.032 37.981 121.337 1.00 36.30 MOL1 C ATOM 4101 OD1 ASP A 517 39.594 37.991 120.183 1.00 36.46 MOL1 O ATOM 4102 OD2 ASP A 517 41.052 38.623 121.666 1.00 36.72 MOL1 O ATOM 4103 H ASP A 517 36.889 37.736 122.838 1.00 0.00 MOL1 H ATOM 4104 N ASP A 518 38.092 34.703 123.932 1.00 33.52 MOL1 N ATOM 4105 CA ASP A 518 38.219 33.430 124.626 1.00 31.68 MOL1 C ATOM 4106 C ASP A 518 36.898 33.029 125.213 1.00 28.72 MOL1 C ATOM 4107 O ASP A 518 36.770 32.508 126.313 1.00 28.37 MOL1 O ATOM 4108 CB ASP A 518 39.228 33.504 125.763 1.00 36.63 MOL1 C ATOM 4109 CG ASP A 518 40.668 33.725 125.329 1.00 42.07 MOL1 C ATOM 4110 OD1 ASP A 518 41.248 32.873 124.638 1.00 44.38 MOL1 O ATOM 4111 OD2 ASP A 518 41.200 34.768 125.711 1.00 45.55 MOL1 O ATOM 4112 H ASP A 518 37.851 35.499 124.456 1.00 0.00 MOL1 H ATOM 4113 N PHE A 519 35.876 33.204 124.429 1.00 27.08 MOL1 N ATOM 4114 CA PHE A 519 34.547 32.825 124.834 1.00 28.08 MOL1 C ATOM 4115 C PHE A 519 34.359 31.335 125.199 1.00 29.67 MOL1 C ATOM 4116 O PHE A 519 33.435 30.964 125.947 1.00 28.88 MOL1 O ATOM 4117 CB PHE A 519 33.719 33.201 123.701 1.00 28.23 MOL1 C ATOM 4118 CG PHE A 519 32.272 33.187 124.031 1.00 28.89 MOL1 C ATOM 4119 CD1 PHE A 519 31.528 32.015 123.862 1.00 28.89 MOL1 C ATOM 4120 CD2 PHE A 519 31.693 34.378 124.471 1.00 29.73 MOL1 C ATOM 4121 CE1 PHE A 519 30.161 32.044 124.145 1.00 28.27 MOL1 C ATOM 4122 CE2 PHE A 519 30.317 34.385 124.743 1.00 29.01 MOL1 C ATOM 4123 CZ PHE A 519 29.550 33.224 124.587 1.00 27.09 MOL1 C ATOM 4124 H PHE A 519 35.994 33.686 123.584 1.00 0.00 MOL1 H ATOM 4125 N TYR A 520 35.194 30.458 124.611 1.00 30.17 MOL1 N ATOM 4126 CA TYR A 520 35.095 29.018 124.791 1.00 27.70 MOL1 C ATOM 4127 C TYR A 520 36.234 28.542 125.675 1.00 28.33 MOL1 C ATOM 4128 O TYR A 520 36.270 27.353 126.018 1.00 29.31 MOL1 O ATOM 4129 CB TYR A 520 35.150 28.348 123.403 1.00 27.06 MOL1 C ATOM 4130 CG TYR A 520 33.868 28.502 122.560 1.00 28.79 MOL1 C ATOM 4131 CD1 TYR A 520 33.663 29.615 121.729 1.00 30.51 MOL1 C ATOM 4132 CD2 TYR A 520 32.826 27.578 122.680 1.00 29.68 MOL1 C ATOM 4133 CE1 TYR A 520 32.448 29.805 121.046 1.00 28.92 MOL1 C ATOM 4134 CE2 TYR A 520 31.611 27.759 122.011 1.00 29.46 MOL1 C ATOM 4135 CZ TYR A 520 31.427 28.875 121.199 1.00 27.82 MOL1 C ATOM 4136 OH TYR A 520 30.210 29.063 120.573 1.00 26.52 MOL1 O ATOM 4137 H TYR A 520 35.926 30.807 124.067 1.00 0.00 MOL1 H ATOM 4138 HH TYR A 520 30.206 29.929 120.160 1.00 0.00 MOL1 H ATOM 4139 N THR A 521 37.119 29.457 126.111 1.00 28.19 MOL1 N ATOM 4140 CA THR A 521 38.307 29.101 126.872 1.00 27.98 MOL1 C ATOM 4141 C THR A 521 38.336 29.775 128.229 1.00 28.12 MOL1 C ATOM 4142 O THR A 521 38.270 31.008 128.375 1.00 29.00 MOL1 O ATOM 4143 CB THR A 521 39.593 29.500 126.186 1.00 27.89 MOL1 C ATOM 4144 OG1 THR A 521 39.465 29.330 124.787 1.00 28.92 MOL1 O ATOM 4145 CG2 THR A 521 40.721 28.649 126.720 1.00 29.77 MOL1 C ATOM 4146 H THR A 521 36.932 30.408 126.043 1.00 0.00 MOL1 H ATOM 4147 HG1 THR A 521 40.254 29.656 124.351 1.00 0.00 MOL1 H ATOM 4148 N ALA A 522 38.397 28.920 129.256 1.00 27.59 MOL1 N ATOM 4149 CA ALA A 522 38.470 29.448 130.604 1.00 27.37 MOL1 C ATOM 4150 C ALA A 522 39.833 30.124 130.749 1.00 26.93 MOL1 C ATOM 4151 O ALA A 522 40.856 29.556 130.296 1.00 27.34 MOL1 O ATOM 4152 CB ALA A 522 38.353 28.323 131.606 1.00 26.87 MOL1 C ATOM 4153 H ALA A 522 38.426 27.955 129.084 1.00 0.00 MOL1 H ATOM 4154 N THR A 523 39.807 31.346 131.316 1.00 23.47 MOL1 N ATOM 4155 CA THR A 523 40.997 32.135 131.591 1.00 19.77 MOL1 C ATOM 4156 C THR A 523 42.076 31.239 132.098 1.00 17.49 MOL1 C ATOM 4157 O THR A 523 43.062 31.133 131.444 1.00 19.25 MOL1 O ATOM 4158 CB THR A 523 40.750 33.158 132.646 1.00 19.31 MOL1 C ATOM 4159 OG1 THR A 523 39.505 33.795 132.339 1.00 24.09 MOL1 O ATOM 4160 CG2 THR A 523 41.947 34.069 132.762 1.00 14.92 MOL1 C ATOM 4161 H THR A 523 38.944 31.770 131.534 1.00 0.00 MOL1 H ATOM 4162 HG1 THR A 523 38.999 33.976 133.145 1.00 0.00 MOL1 H ATOM 4163 N GLU A 524 41.955 30.476 133.141 1.00 19.34 MOL1 N ATOM 4164 CA GLU A 524 43.006 29.596 133.606 1.00 22.22 MOL1 C ATOM 4165 C GLU A 524 43.557 28.700 132.516 1.00 23.57 MOL1 C ATOM 4166 O GLU A 524 44.775 28.529 132.390 1.00 25.08 MOL1 O ATOM 4167 CB GLU A 524 42.489 28.729 134.732 1.00 23.32 MOL1 C ATOM 4168 CG GLU A 524 43.599 28.091 135.535 1.00 28.71 MOL1 C ATOM 4169 CD GLU A 524 44.004 26.645 135.196 1.00 34.36 MOL1 C ATOM 4170 OE1 GLU A 524 43.205 25.866 134.637 1.00 36.56 MOL1 O ATOM 4171 OE2 GLU A 524 45.144 26.296 135.537 1.00 36.68 MOL1 O ATOM 4172 H GLU A 524 41.113 30.529 133.642 1.00 0.00 MOL1 H ATOM 4173 N SER A 525 42.719 28.201 131.641 1.00 23.59 MOL1 N ATOM 4174 CA SER A 525 43.272 27.278 130.730 1.00 25.82 MOL1 C ATOM 4175 C SER A 525 43.825 27.895 129.484 1.00 27.91 MOL1 C ATOM 4176 O SER A 525 44.226 27.091 128.633 1.00 30.33 MOL1 O ATOM 4177 CB SER A 525 42.220 26.247 130.447 1.00 26.28 MOL1 C ATOM 4178 OG SER A 525 42.298 25.311 131.519 1.00 27.57 MOL1 O ATOM 4179 H SER A 525 41.780 28.456 131.605 1.00 0.00 MOL1 H ATOM 4180 HG SER A 525 43.162 24.883 131.490 1.00 0.00 MOL1 H ATOM 4181 N GLN A 526 43.941 29.232 129.326 1.00 29.43 MOL1 N ATOM 4182 CA GLN A 526 44.558 29.854 128.122 1.00 30.76 MOL1 C ATOM 4183 C GLN A 526 45.916 29.208 127.764 1.00 32.14 MOL1 C ATOM 4184 O GLN A 526 46.087 28.455 126.783 1.00 31.93 MOL1 O ATOM 4185 CB GLN A 526 44.792 31.389 128.306 1.00 28.37 MOL1 C ATOM 4186 CG GLN A 526 43.483 32.216 128.243 1.00 33.79 MOL1 C ATOM 4187 CD GLN A 526 43.624 33.730 128.534 1.00 37.06 MOL1 C ATOM 4188 OE1 GLN A 526 44.755 34.252 128.569 1.00 39.15 MOL1 O ATOM 4189 NE2 GLN A 526 42.532 34.500 128.773 1.00 35.26 MOL1 N ATOM 4190 H GLN A 526 43.629 29.808 130.055 1.00 0.00 MOL1 H ATOM 4191 1HE2 GLN A 526 42.692 35.451 128.958 1.00 0.00 MOL1 H ATOM 4192 2HE2 GLN A 526 41.645 34.076 128.763 1.00 0.00 MOL1 H HETATM 4193 N PTR A 527 46.886 29.429 128.642 1.00 34.25 MOL1 N HETATM 4194 CA PTR A 527 48.238 28.944 128.480 1.00 35.76 MOL1 C HETATM 4195 C PTR A 527 48.290 27.759 129.383 1.00 41.78 MOL1 C HETATM 4196 O PTR A 527 47.614 27.753 130.418 1.00 42.36 MOL1 O HETATM 4197 CB PTR A 527 49.206 29.939 128.958 1.00 31.11 MOL1 C HETATM 4198 CG PTR A 527 49.474 31.060 127.960 1.00 28.82 MOL1 C HETATM 4199 CD1 PTR A 527 49.106 32.406 128.171 1.00 26.85 MOL1 C HETATM 4200 CD2 PTR A 527 50.193 30.682 126.848 1.00 29.74 MOL1 C HETATM 4201 CE1 PTR A 527 49.473 33.392 127.250 1.00 27.30 MOL1 C HETATM 4202 CE2 PTR A 527 50.569 31.648 125.926 1.00 31.04 MOL1 C HETATM 4203 CZ PTR A 527 50.218 32.965 126.142 1.00 30.64 MOL1 C HETATM 4204 OH PTR A 527 50.729 33.761 125.064 1.00 30.55 MOL1 O HETATM 4205 P PTR A 527 50.940 35.323 125.041 1.00 31.25 MOL1 P HETATM 4206 O1P PTR A 527 51.081 35.696 123.629 1.00 33.74 MOL1 O HETATM 4207 O2P PTR A 527 49.785 36.111 125.541 1.00 29.90 MOL1 O HETATM 4208 O3P PTR A 527 52.173 35.687 125.767 1.00 33.86 MOL1 O HETATM 4209 1HN PTR A 527 46.619 29.740 129.528 1.00 0.00 MOL1 H ATOM 4210 N GLN A 528 49.059 26.755 128.956 1.00 48.38 MOL1 N ATOM 4211 CA GLN A 528 49.218 25.519 129.716 1.00 53.18 MOL1 C ATOM 4212 C GLN A 528 50.251 25.731 130.823 1.00 58.63 MOL1 C ATOM 4213 O GLN A 528 51.204 26.529 130.725 1.00 58.64 MOL1 O ATOM 4214 CB GLN A 528 49.679 24.430 128.799 1.00 50.09 MOL1 C ATOM 4215 CG GLN A 528 48.905 24.444 127.514 1.00 49.81 MOL1 C ATOM 4216 CD GLN A 528 47.572 23.763 127.651 1.00 52.52 MOL1 C ATOM 4217 OE1 GLN A 528 47.509 22.531 127.628 1.00 53.46 MOL1 O ATOM 4218 NE2 GLN A 528 46.474 24.496 127.783 1.00 52.26 MOL1 N ATOM 4219 H GLN A 528 49.575 26.876 128.129 1.00 0.00 MOL1 H ATOM 4220 1HE2 GLN A 528 45.639 23.992 127.818 1.00 0.00 MOL1 H ATOM 4221 2HE2 GLN A 528 46.502 25.477 127.810 1.00 0.00 MOL1 H ATOM 4222 N GLN A 529 49.972 25.047 131.929 1.00 65.75 MOL1 N ATOM 4223 CA GLN A 529 50.888 25.077 133.052 1.00 72.70 MOL1 C ATOM 4224 C GLN A 529 51.921 24.035 132.664 1.00 75.82 MOL1 C ATOM 4225 O GLN A 529 51.666 23.008 132.010 1.00 74.34 MOL1 O ATOM 4226 CB GLN A 529 50.221 24.693 134.424 1.00 74.83 MOL1 C ATOM 4227 CG GLN A 529 49.330 25.760 135.145 1.00 78.60 MOL1 C ATOM 4228 CD GLN A 529 50.012 27.028 135.706 1.00 81.26 MOL1 C ATOM 4229 OE1 GLN A 529 50.556 27.886 134.994 1.00 82.07 MOL1 O ATOM 4230 NE2 GLN A 529 50.017 27.228 137.022 1.00 80.52 MOL1 N ATOM 4231 H GLN A 529 49.183 24.476 131.968 1.00 0.00 MOL1 H ATOM 4232 1HE2 GLN A 529 50.574 27.971 137.343 1.00 0.00 MOL1 H ATOM 4233 2HE2 GLN A 529 49.542 26.616 137.617 1.00 0.00 MOL1 H ATOM 4234 N GLN A 530 53.103 24.566 132.987 1.00 80.12 MOL1 N ATOM 4235 CA GLN A 530 54.433 23.976 132.810 1.00 83.89 MOL1 C ATOM 4236 C GLN A 530 54.623 22.529 133.314 1.00 86.67 MOL1 C ATOM 4237 O GLN A 530 54.406 22.357 134.522 1.00 88.12 MOL1 O ATOM 4238 CB GLN A 530 55.332 24.963 133.502 1.00 83.38 MOL1 C ATOM 4239 CG GLN A 530 56.784 24.645 133.599 1.00 83.73 MOL1 C ATOM 4240 CD GLN A 530 57.309 25.347 134.832 1.00 85.31 MOL1 C ATOM 4241 OE1 GLN A 530 57.950 26.404 134.793 1.00 86.27 MOL1 O ATOM 4242 NE2 GLN A 530 57.032 24.741 135.982 1.00 85.95 MOL1 N ATOM 4243 H GLN A 530 53.065 25.463 133.380 1.00 0.00 MOL1 H ATOM 4244 1HE2 GLN A 530 57.292 25.210 136.800 1.00 0.00 MOL1 H ATOM 4245 2HE2 GLN A 530 56.556 23.881 135.963 1.00 0.00 MOL1 H ATOM 4246 N PRO A 531 54.992 21.520 132.477 1.00 88.43 MOL1 N ATOM 4247 CA PRO A 531 55.082 20.075 132.813 1.00 89.65 MOL1 C ATOM 4248 C PRO A 531 56.265 19.522 133.622 1.00 90.77 MOL1 C ATOM 4249 O PRO A 531 57.398 19.982 133.398 1.00 92.00 MOL1 O ATOM 4250 CB PRO A 531 54.972 19.361 131.464 1.00 89.07 MOL1 C ATOM 4251 CG PRO A 531 54.280 20.369 130.583 1.00 88.89 MOL1 C ATOM 4252 CD PRO A 531 54.979 21.649 131.023 1.00 88.32 MOL1 C ATOM 4253 OXT PRO A 531 56.048 18.609 134.431 1.00 89.70 MOL1 O TER 4254 PRO A 531 HETATM 4255 C1 QUE A 1 35.819 46.424 99.173 1.00 70.05 MOL1 C HETATM 4256 C2 QUE A 1 35.264 45.226 98.632 1.00 70.09 MOL1 C HETATM 4257 C3 QUE A 1 33.866 45.006 98.653 1.00 70.02 MOL1 C HETATM 4258 C4 QUE A 1 33.101 46.060 99.224 1.00 72.12 MOL1 C HETATM 4259 C5 QUE A 1 33.671 47.234 99.754 1.00 71.06 MOL1 C HETATM 4260 C6 QUE A 1 35.044 47.463 99.734 1.00 70.16 MOL1 C HETATM 4261 C9 QUE A 1 33.232 43.835 98.113 1.00 69.10 MOL1 C HETATM 4262 C10 QUE A 1 31.799 43.712 98.187 1.00 70.56 MOL1 C HETATM 4263 C11 QUE A 1 31.070 44.800 98.778 1.00 73.88 MOL1 C HETATM 4264 C14 QUE A 1 29.642 44.834 98.770 1.00 76.54 MOL1 C HETATM 4265 C15 QUE A 1 28.774 43.942 98.107 1.00 78.50 MOL1 C HETATM 4266 C16 QUE A 1 27.377 44.162 98.052 1.00 80.28 MOL1 C HETATM 4267 C17 QUE A 1 26.798 45.296 98.656 1.00 81.05 MOL1 C HETATM 4268 C18 QUE A 1 27.639 46.223 99.334 1.00 81.22 MOL1 C HETATM 4269 C19 QUE A 1 29.004 45.947 99.367 1.00 79.33 MOL1 C HETATM 4270 O12 QUE A 1 31.743 45.915 99.273 1.00 73.90 MOL1 O HETATM 4271 O13 QUE A 1 33.879 42.952 97.539 1.00 66.75 MOL1 O HETATM 4272 O23 QUE A 1 27.217 47.423 99.924 1.00 83.09 MOL1 O HETATM 4273 O24 QUE A 1 25.407 45.437 98.548 1.00 80.40 MOL1 O HETATM 4274 O27 QUE A 1 31.204 42.545 97.721 1.00 69.98 MOL1 O HETATM 4275 O29 QUE A 1 35.558 48.642 100.265 1.00 68.27 MOL1 O HETATM 4276 O30 QUE A 1 36.095 44.249 98.115 1.00 68.10 MOL1 O ATOM 4277 N GLU B 82 -7.190 44.755 154.657 1.00 58.45 MOL2 N ATOM 4278 CA GLU B 82 -6.609 43.881 155.647 1.00 56.30 MOL2 C ATOM 4279 C GLU B 82 -5.436 44.694 156.247 1.00 55.62 MOL2 C ATOM 4280 O GLU B 82 -5.414 45.917 156.074 1.00 54.10 MOL2 O ATOM 4281 CB GLU B 82 -6.151 42.610 154.919 1.00 54.57 MOL2 C ATOM 4282 1H GLU B 82 -7.123 45.721 155.048 1.00 0.00 MOL2 H ATOM 4283 2H GLU B 82 -6.612 44.773 153.794 1.00 0.00 MOL2 H ATOM 4284 3H GLU B 82 -8.174 44.576 154.390 1.00 0.00 MOL2 H ATOM 4285 N ASP B 83 -4.509 44.068 156.977 1.00 55.75 MOL2 N ATOM 4286 CA ASP B 83 -3.308 44.651 157.600 1.00 55.05 MOL2 C ATOM 4287 C ASP B 83 -2.148 43.623 157.391 1.00 53.58 MOL2 C ATOM 4288 O ASP B 83 -2.378 42.398 157.339 1.00 53.56 MOL2 O ATOM 4289 CB ASP B 83 -3.544 44.868 159.110 1.00 55.45 MOL2 C ATOM 4290 H ASP B 83 -4.565 43.096 157.103 1.00 0.00 MOL2 H ATOM 4291 N ILE B 84 -0.882 44.037 157.338 1.00 49.46 MOL2 N ATOM 4292 CA ILE B 84 0.178 43.188 156.797 1.00 46.78 MOL2 C ATOM 4293 C ILE B 84 0.827 42.169 157.736 1.00 44.19 MOL2 C ATOM 4294 O ILE B 84 1.602 42.591 158.592 1.00 46.28 MOL2 O ATOM 4295 CB ILE B 84 1.321 44.090 156.170 1.00 48.26 MOL2 C ATOM 4296 CG1 ILE B 84 1.013 45.596 156.071 1.00 47.97 MOL2 C ATOM 4297 CG2 ILE B 84 1.574 43.517 154.763 1.00 50.57 MOL2 C ATOM 4298 CD1 ILE B 84 1.214 46.440 157.360 1.00 48.73 MOL2 C ATOM 4299 H ILE B 84 -0.643 44.843 157.838 1.00 0.00 MOL2 H ATOM 4300 N ILE B 85 0.683 40.849 157.663 1.00 40.16 MOL2 N ATOM 4301 CA ILE B 85 1.292 39.962 158.664 1.00 37.00 MOL2 C ATOM 4302 C ILE B 85 2.544 39.267 158.189 1.00 35.28 MOL2 C ATOM 4303 O ILE B 85 2.499 38.664 157.130 1.00 35.72 MOL2 O ATOM 4304 CB ILE B 85 0.222 38.890 159.203 1.00 36.72 MOL2 C ATOM 4305 CG1 ILE B 85 0.771 37.455 159.218 1.00 36.94 MOL2 C ATOM 4306 CG2 ILE B 85 -1.041 38.977 158.377 1.00 37.33 MOL2 C ATOM 4307 CD1 ILE B 85 -0.184 36.307 159.669 1.00 39.37 MOL2 C ATOM 4308 H ILE B 85 0.246 40.454 156.882 1.00 0.00 MOL2 H ATOM 4309 N VAL B 86 3.686 39.295 158.848 1.00 34.41 MOL2 N ATOM 4310 CA VAL B 86 4.828 38.551 158.335 1.00 35.80 MOL2 C ATOM 4311 C VAL B 86 5.194 37.314 159.165 1.00 37.62 MOL2 C ATOM 4312 O VAL B 86 4.686 37.035 160.264 1.00 37.70 MOL2 O ATOM 4313 CB VAL B 86 6.093 39.452 158.194 1.00 34.43 MOL2 C ATOM 4314 CG1 VAL B 86 5.756 40.577 157.255 1.00 35.64 MOL2 C ATOM 4315 CG2 VAL B 86 6.532 40.059 159.493 1.00 36.00 MOL2 C ATOM 4316 H VAL B 86 3.709 39.701 159.739 1.00 0.00 MOL2 H ATOM 4317 N VAL B 87 6.136 36.553 158.642 1.00 39.12 MOL2 N ATOM 4318 CA VAL B 87 6.474 35.310 159.262 1.00 41.84 MOL2 C ATOM 4319 C VAL B 87 7.965 35.216 159.545 1.00 42.02 MOL2 C ATOM 4320 O VAL B 87 8.824 35.676 158.787 1.00 43.50 MOL2 O ATOM 4321 CB VAL B 87 5.936 34.243 158.304 1.00 43.53 MOL2 C ATOM 4322 CG1 VAL B 87 6.700 34.303 156.982 1.00 44.62 MOL2 C ATOM 4323 CG2 VAL B 87 6.010 32.864 158.987 1.00 47.72 MOL2 C ATOM 4324 H VAL B 87 6.682 36.854 157.892 1.00 0.00 MOL2 H ATOM 4325 N ALA B 88 8.261 34.673 160.703 1.00 41.25 MOL2 N ATOM 4326 CA ALA B 88 9.607 34.461 161.152 1.00 41.70 MOL2 C ATOM 4327 C ALA B 88 10.462 33.481 160.380 1.00 41.68 MOL2 C ATOM 4328 O ALA B 88 10.241 32.267 160.478 1.00 41.30 MOL2 O ATOM 4329 CB ALA B 88 9.589 33.985 162.592 1.00 44.71 MOL2 C ATOM 4330 H ALA B 88 7.523 34.424 161.303 1.00 0.00 MOL2 H ATOM 4331 N LEU B 89 11.435 34.029 159.646 1.00 41.53 MOL2 N ATOM 4332 CA LEU B 89 12.439 33.236 158.956 1.00 39.80 MOL2 C ATOM 4333 C LEU B 89 13.369 32.493 159.878 1.00 40.90 MOL2 C ATOM 4334 O LEU B 89 13.757 31.364 159.562 1.00 41.30 MOL2 O ATOM 4335 CB LEU B 89 13.321 34.069 158.075 1.00 35.36 MOL2 C ATOM 4336 CG LEU B 89 13.124 33.968 156.587 1.00 33.32 MOL2 C ATOM 4337 CD1 LEU B 89 12.490 32.627 156.249 1.00 32.79 MOL2 C ATOM 4338 CD2 LEU B 89 12.264 35.111 156.107 1.00 30.91 MOL2 C ATOM 4339 H LEU B 89 11.447 35.001 159.563 1.00 0.00 MOL2 H ATOM 4340 N TYR B 90 13.767 33.137 160.991 1.00 42.46 MOL2 N ATOM 4341 CA TYR B 90 14.700 32.527 161.948 1.00 44.10 MOL2 C ATOM 4342 C TYR B 90 14.354 32.784 163.441 1.00 44.47 MOL2 C ATOM 4343 O TYR B 90 13.366 33.484 163.726 1.00 45.35 MOL2 O ATOM 4344 CB TYR B 90 16.124 33.033 161.672 1.00 43.72 MOL2 C ATOM 4345 CG TYR B 90 16.595 32.976 160.228 1.00 41.83 MOL2 C ATOM 4346 CD1 TYR B 90 17.191 31.801 159.762 1.00 41.68 MOL2 C ATOM 4347 CD2 TYR B 90 16.438 34.108 159.409 1.00 41.63 MOL2 C ATOM 4348 CE1 TYR B 90 17.637 31.747 158.454 1.00 43.86 MOL2 C ATOM 4349 CE2 TYR B 90 16.884 34.067 158.100 1.00 42.65 MOL2 C ATOM 4350 CZ TYR B 90 17.487 32.882 157.645 1.00 45.46 MOL2 C ATOM 4351 OH TYR B 90 17.952 32.795 156.348 1.00 48.15 MOL2 O ATOM 4352 H TYR B 90 13.347 33.988 161.239 1.00 0.00 MOL2 H ATOM 4353 HH TYR B 90 17.864 33.656 155.927 1.00 0.00 MOL2 H ATOM 4354 N ASP B 91 15.077 32.173 164.408 1.00 42.33 MOL2 N ATOM 4355 CA ASP B 91 14.830 32.418 165.827 1.00 40.74 MOL2 C ATOM 4356 C ASP B 91 15.657 33.596 166.192 1.00 40.68 MOL2 C ATOM 4357 O ASP B 91 16.799 33.662 165.748 1.00 42.27 MOL2 O ATOM 4358 CB ASP B 91 15.325 31.370 166.795 1.00 39.75 MOL2 C ATOM 4359 CG ASP B 91 14.813 29.998 166.492 1.00 40.59 MOL2 C ATOM 4360 OD1 ASP B 91 13.666 29.897 166.082 1.00 40.55 MOL2 O ATOM 4361 OD2 ASP B 91 15.559 29.034 166.650 1.00 42.16 MOL2 O ATOM 4362 H ASP B 91 15.870 31.655 164.167 1.00 0.00 MOL2 H ATOM 4363 N TYR B 92 15.100 34.492 166.978 1.00 40.28 MOL2 N ATOM 4364 CA TYR B 92 15.767 35.624 167.537 1.00 39.98 MOL2 C ATOM 4365 C TYR B 92 15.431 35.431 169.010 1.00 42.64 MOL2 C ATOM 4366 O TYR B 92 14.463 34.799 169.460 1.00 43.77 MOL2 O ATOM 4367 CB TYR B 92 15.186 36.897 166.996 1.00 37.38 MOL2 C ATOM 4368 CG TYR B 92 16.000 38.179 167.195 1.00 36.91 MOL2 C ATOM 4369 CD1 TYR B 92 17.379 38.247 166.919 1.00 35.08 MOL2 C ATOM 4370 CD2 TYR B 92 15.340 39.325 167.686 1.00 37.64 MOL2 C ATOM 4371 CE1 TYR B 92 18.086 39.450 167.139 1.00 34.81 MOL2 C ATOM 4372 CE2 TYR B 92 16.036 40.530 167.908 1.00 36.37 MOL2 C ATOM 4373 CZ TYR B 92 17.416 40.592 167.642 1.00 36.24 MOL2 C ATOM 4374 OH TYR B 92 18.108 41.768 167.948 1.00 32.55 MOL2 O ATOM 4375 H TYR B 92 14.190 34.334 167.256 1.00 0.00 MOL2 H ATOM 4376 HH TYR B 92 18.999 41.666 167.609 1.00 0.00 MOL2 H ATOM 4377 N GLU B 93 16.339 36.051 169.743 1.00 45.18 MOL2 N ATOM 4378 CA GLU B 93 16.545 35.981 171.178 1.00 45.89 MOL2 C ATOM 4379 C GLU B 93 16.715 37.471 171.378 1.00 43.00 MOL2 C ATOM 4380 O GLU B 93 17.669 38.039 170.847 1.00 40.67 MOL2 O ATOM 4381 CB GLU B 93 17.887 35.275 171.529 1.00 50.96 MOL2 C ATOM 4382 CG GLU B 93 18.719 34.547 170.407 1.00 58.42 MOL2 C ATOM 4383 CD GLU B 93 19.057 35.264 169.057 1.00 61.92 MOL2 C ATOM 4384 OE1 GLU B 93 19.282 36.487 169.017 1.00 63.25 MOL2 O ATOM 4385 OE2 GLU B 93 19.061 34.582 168.018 1.00 63.05 MOL2 O ATOM 4386 H GLU B 93 16.939 36.683 169.296 1.00 0.00 MOL2 H ATOM 4387 N ALA B 94 15.816 38.162 172.029 1.00 42.12 MOL2 N ATOM 4388 CA ALA B 94 16.025 39.587 172.176 1.00 42.67 MOL2 C ATOM 4389 C ALA B 94 17.160 39.940 173.143 1.00 42.19 MOL2 C ATOM 4390 O ALA B 94 17.426 39.268 174.147 1.00 39.05 MOL2 O ATOM 4391 CB ALA B 94 14.709 40.213 172.633 1.00 44.55 MOL2 C ATOM 4392 H ALA B 94 15.104 37.710 172.527 1.00 0.00 MOL2 H ATOM 4393 N ILE B 95 17.834 41.029 172.781 1.00 43.78 MOL2 N ATOM 4394 CA ILE B 95 19.031 41.490 173.492 1.00 47.69 MOL2 C ATOM 4395 C ILE B 95 19.126 42.977 173.832 1.00 50.00 MOL2 C ATOM 4396 O ILE B 95 20.016 43.462 174.552 1.00 49.31 MOL2 O ATOM 4397 CB ILE B 95 20.328 41.136 172.684 1.00 47.10 MOL2 C ATOM 4398 CG1 ILE B 95 20.106 41.607 171.248 1.00 47.20 MOL2 C ATOM 4399 CG2 ILE B 95 20.709 39.659 172.868 1.00 46.27 MOL2 C ATOM 4400 CD1 ILE B 95 21.056 41.103 170.151 1.00 50.19 MOL2 C ATOM 4401 H ILE B 95 17.535 41.481 171.973 1.00 0.00 MOL2 H ATOM 4402 N HIS B 96 18.219 43.726 173.232 1.00 53.15 MOL2 N ATOM 4403 CA HIS B 96 18.302 45.176 173.279 1.00 56.57 MOL2 C ATOM 4404 C HIS B 96 17.096 45.664 174.011 1.00 56.69 MOL2 C ATOM 4405 O HIS B 96 16.204 44.877 174.300 1.00 56.39 MOL2 O ATOM 4406 CB HIS B 96 18.314 45.776 171.868 1.00 60.43 MOL2 C ATOM 4407 CG HIS B 96 19.497 45.282 171.045 1.00 65.33 MOL2 C ATOM 4408 ND1 HIS B 96 19.535 44.758 169.815 1.00 69.04 MOL2 N ATOM 4409 CD2 HIS B 96 20.797 45.311 171.488 1.00 67.89 MOL2 C ATOM 4410 CE1 HIS B 96 20.779 44.471 169.488 1.00 69.39 MOL2 C ATOM 4411 NE2 HIS B 96 21.521 44.810 170.516 1.00 70.48 MOL2 N ATOM 4412 H HIS B 96 17.368 43.299 173.026 1.00 0.00 MOL2 H ATOM 4413 HD1 HIS B 96 18.763 44.537 169.238 1.00 0.00 MOL2 H ATOM 4414 HE2 HIS B 96 22.497 44.670 170.568 1.00 0.00 MOL2 H ATOM 4415 N HIS B 97 17.002 46.968 174.209 1.00 57.82 MOL2 N ATOM 4416 CA HIS B 97 15.897 47.492 175.001 1.00 58.84 MOL2 C ATOM 4417 C HIS B 97 14.435 47.124 174.710 1.00 56.37 MOL2 C ATOM 4418 O HIS B 97 13.742 46.628 175.598 1.00 54.50 MOL2 O ATOM 4419 CB HIS B 97 16.062 49.031 175.026 1.00 62.49 MOL2 C ATOM 4420 CG HIS B 97 16.879 49.457 176.237 1.00 66.39 MOL2 C ATOM 4421 ND1 HIS B 97 17.311 50.682 176.532 1.00 67.53 MOL2 N ATOM 4422 CD2 HIS B 97 17.273 48.580 177.252 1.00 67.13 MOL2 C ATOM 4423 CE1 HIS B 97 17.946 50.576 177.686 1.00 69.18 MOL2 C ATOM 4424 NE2 HIS B 97 17.916 49.314 178.106 1.00 68.74 MOL2 N ATOM 4425 H HIS B 97 17.679 47.553 173.817 1.00 0.00 MOL2 H ATOM 4426 HD1 HIS B 97 17.190 51.510 176.016 1.00 0.00 MOL2 H ATOM 4427 HE2 HIS B 97 18.300 48.984 178.954 1.00 0.00 MOL2 H ATOM 4428 N GLU B 98 13.992 47.339 173.463 1.00 55.69 MOL2 N ATOM 4429 CA GLU B 98 12.602 47.158 173.073 1.00 53.57 MOL2 C ATOM 4430 C GLU B 98 12.363 46.073 172.038 1.00 49.66 MOL2 C ATOM 4431 O GLU B 98 11.239 45.906 171.574 1.00 48.50 MOL2 O ATOM 4432 CB GLU B 98 12.063 48.493 172.546 1.00 55.89 MOL2 C ATOM 4433 CG GLU B 98 11.644 49.527 173.609 1.00 61.45 MOL2 C ATOM 4434 CD GLU B 98 12.512 50.786 173.762 1.00 64.07 MOL2 C ATOM 4435 OE1 GLU B 98 12.469 51.636 172.862 1.00 65.96 MOL2 O ATOM 4436 OE2 GLU B 98 13.201 50.929 174.788 1.00 64.76 MOL2 O ATOM 4437 H GLU B 98 14.632 47.562 172.763 1.00 0.00 MOL2 H ATOM 4438 N ASP B 99 13.400 45.314 171.701 1.00 46.40 MOL2 N ATOM 4439 CA ASP B 99 13.310 44.357 170.633 1.00 43.32 MOL2 C ATOM 4440 C ASP B 99 12.633 43.101 171.102 1.00 41.06 MOL2 C ATOM 4441 O ASP B 99 12.596 42.790 172.286 1.00 41.54 MOL2 O ATOM 4442 CB ASP B 99 14.713 44.089 170.093 1.00 44.19 MOL2 C ATOM 4443 CG ASP B 99 15.671 43.243 170.894 1.00 44.67 MOL2 C ATOM 4444 OD1 ASP B 99 15.551 43.173 172.105 1.00 46.23 MOL2 O ATOM 4445 OD2 ASP B 99 16.547 42.641 170.295 1.00 45.87 MOL2 O ATOM 4446 H ASP B 99 14.109 45.218 172.362 1.00 0.00 MOL2 H ATOM 4447 N LEU B 100 12.171 42.333 170.152 1.00 40.29 MOL2 N ATOM 4448 CA LEU B 100 11.293 41.252 170.463 1.00 40.53 MOL2 C ATOM 4449 C LEU B 100 11.854 39.908 170.123 1.00 41.39 MOL2 C ATOM 4450 O LEU B 100 12.415 39.678 169.057 1.00 42.04 MOL2 O ATOM 4451 CB LEU B 100 10.027 41.503 169.726 1.00 38.11 MOL2 C ATOM 4452 CG LEU B 100 8.870 41.376 170.619 1.00 37.29 MOL2 C ATOM 4453 CD1 LEU B 100 7.978 42.568 170.387 1.00 32.93 MOL2 C ATOM 4454 CD2 LEU B 100 8.269 39.967 170.437 1.00 36.61 MOL2 C ATOM 4455 H LEU B 100 12.453 42.434 169.219 1.00 0.00 MOL2 H ATOM 4456 N SER B 101 11.670 39.019 171.086 1.00 42.89 MOL2 N ATOM 4457 CA SER B 101 12.139 37.647 170.982 1.00 44.03 MOL2 C ATOM 4458 C SER B 101 11.133 36.882 170.118 1.00 45.30 MOL2 C ATOM 4459 O SER B 101 9.911 37.069 170.341 1.00 44.82 MOL2 O ATOM 4460 CB SER B 101 12.221 37.020 172.392 1.00 43.11 MOL2 C ATOM 4461 OG SER B 101 13.083 37.683 173.310 1.00 40.57 MOL2 O ATOM 4462 H SER B 101 11.059 39.245 171.812 1.00 0.00 MOL2 H ATOM 4463 HG SER B 101 12.702 38.525 173.584 1.00 0.00 MOL2 H ATOM 4464 N PHE B 102 11.617 36.053 169.157 1.00 46.59 MOL2 N ATOM 4465 CA PHE B 102 10.731 35.247 168.321 1.00 48.78 MOL2 C ATOM 4466 C PHE B 102 11.322 33.982 167.752 1.00 50.91 MOL2 C ATOM 4467 O PHE B 102 12.462 33.992 167.331 1.00 50.99 MOL2 O ATOM 4468 CB PHE B 102 10.173 36.040 167.130 1.00 46.66 MOL2 C ATOM 4469 CG PHE B 102 11.160 36.800 166.267 1.00 43.30 MOL2 C ATOM 4470 CD1 PHE B 102 11.882 36.140 165.266 1.00 42.49 MOL2 C ATOM 4471 CD2 PHE B 102 11.300 38.171 166.464 1.00 41.55 MOL2 C ATOM 4472 CE1 PHE B 102 12.743 36.870 164.452 1.00 41.44 MOL2 C ATOM 4473 CE2 PHE B 102 12.165 38.892 165.647 1.00 41.50 MOL2 C ATOM 4474 CZ PHE B 102 12.883 38.245 164.642 1.00 41.11 MOL2 C ATOM 4475 H PHE B 102 12.584 35.902 169.043 1.00 0.00 MOL2 H ATOM 4476 N GLN B 103 10.594 32.869 167.789 1.00 54.28 MOL2 N ATOM 4477 CA GLN B 103 11.021 31.603 167.191 1.00 58.20 MOL2 C ATOM 4478 C GLN B 103 10.684 31.535 165.681 1.00 58.71 MOL2 C ATOM 4479 O GLN B 103 9.976 32.431 165.185 1.00 57.89 MOL2 O ATOM 4480 CB GLN B 103 10.338 30.457 167.973 1.00 59.86 MOL2 C ATOM 4481 CG GLN B 103 11.211 29.625 168.939 1.00 64.91 MOL2 C ATOM 4482 CD GLN B 103 11.948 28.373 168.389 1.00 69.89 MOL2 C ATOM 4483 OE1 GLN B 103 11.840 27.952 167.229 1.00 73.09 MOL2 O ATOM 4484 NE2 GLN B 103 12.797 27.710 169.170 1.00 71.22 MOL2 N ATOM 4485 H GLN B 103 9.721 32.914 168.215 1.00 0.00 MOL2 H ATOM 4486 1HE2 GLN B 103 13.268 26.950 168.773 1.00 0.00 MOL2 H ATOM 4487 2HE2 GLN B 103 12.932 28.028 170.084 1.00 0.00 MOL2 H ATOM 4488 N LYS B 104 11.120 30.477 164.955 1.00 59.00 MOL2 N ATOM 4489 CA LYS B 104 10.877 30.336 163.517 1.00 60.90 MOL2 C ATOM 4490 C LYS B 104 9.448 29.877 163.331 1.00 60.68 MOL2 C ATOM 4491 O LYS B 104 8.947 29.098 164.148 1.00 61.75 MOL2 O ATOM 4492 CB LYS B 104 11.762 29.277 162.828 1.00 62.53 MOL2 C ATOM 4493 CG LYS B 104 13.266 29.538 163.002 1.00 66.96 MOL2 C ATOM 4494 CD LYS B 104 14.295 28.646 162.262 1.00 69.30 MOL2 C ATOM 4495 CE LYS B 104 15.610 28.351 163.065 1.00 69.39 MOL2 C ATOM 4496 NZ LYS B 104 16.457 29.511 163.295 1.00 67.50 MOL2 N ATOM 4497 H LYS B 104 11.459 29.691 165.430 1.00 0.00 MOL2 H ATOM 4498 1HZ LYS B 104 15.934 30.233 163.832 1.00 0.00 MOL2 H ATOM 4499 2HZ LYS B 104 17.298 29.214 163.827 1.00 0.00 MOL2 H ATOM 4500 3HZ LYS B 104 16.740 29.905 162.375 1.00 0.00 MOL2 H ATOM 4501 N GLY B 105 8.746 30.375 162.317 1.00 59.83 MOL2 N ATOM 4502 CA GLY B 105 7.390 29.932 162.045 1.00 58.66 MOL2 C ATOM 4503 C GLY B 105 6.323 30.792 162.676 1.00 58.30 MOL2 C ATOM 4504 O GLY B 105 5.231 30.838 162.107 1.00 58.31 MOL2 O ATOM 4505 H GLY B 105 9.151 31.053 161.732 1.00 0.00 MOL2 H ATOM 4506 N ASP B 106 6.592 31.507 163.791 1.00 58.73 MOL2 N ATOM 4507 CA ASP B 106 5.559 32.296 164.499 1.00 58.07 MOL2 C ATOM 4508 C ASP B 106 5.235 33.508 163.671 1.00 54.99 MOL2 C ATOM 4509 O ASP B 106 6.017 33.913 162.808 1.00 55.05 MOL2 O ATOM 4510 CB ASP B 106 5.934 32.923 165.849 1.00 59.38 MOL2 C ATOM 4511 CG ASP B 106 7.039 32.289 166.678 1.00 61.47 MOL2 C ATOM 4512 OD1 ASP B 106 7.024 31.076 166.930 1.00 61.65 MOL2 O ATOM 4513 OD2 ASP B 106 7.913 33.054 167.089 1.00 62.53 MOL2 O ATOM 4514 H ASP B 106 7.524 31.557 164.089 1.00 0.00 MOL2 H ATOM 4515 N GLN B 107 4.111 34.132 163.918 1.00 51.15 MOL2 N ATOM 4516 CA GLN B 107 3.808 35.204 163.027 1.00 48.93 MOL2 C ATOM 4517 C GLN B 107 3.691 36.422 163.851 1.00 47.19 MOL2 C ATOM 4518 O GLN B 107 3.478 36.357 165.055 1.00 46.17 MOL2 O ATOM 4519 CB GLN B 107 2.537 34.879 162.298 1.00 50.41 MOL2 C ATOM 4520 CG GLN B 107 2.728 33.693 161.335 1.00 49.37 MOL2 C ATOM 4521 CD GLN B 107 1.487 32.810 161.205 1.00 48.53 MOL2 C ATOM 4522 OE1 GLN B 107 0.445 33.230 160.682 1.00 46.91 MOL2 O ATOM 4523 NE2 GLN B 107 1.546 31.563 161.686 1.00 46.15 MOL2 N ATOM 4524 H GLN B 107 3.580 33.997 164.727 1.00 0.00 MOL2 H ATOM 4525 1HE2 GLN B 107 0.729 31.033 161.608 1.00 0.00 MOL2 H ATOM 4526 2HE2 GLN B 107 2.391 31.236 162.066 1.00 0.00 MOL2 H ATOM 4527 N MET B 108 3.800 37.502 163.135 1.00 47.31 MOL2 N ATOM 4528 CA MET B 108 3.871 38.829 163.680 1.00 48.96 MOL2 C ATOM 4529 C MET B 108 3.105 39.756 162.764 1.00 48.36 MOL2 C ATOM 4530 O MET B 108 2.906 39.426 161.593 1.00 48.08 MOL2 O ATOM 4531 CB MET B 108 5.311 39.290 163.712 1.00 52.49 MOL2 C ATOM 4532 CG MET B 108 6.035 39.009 165.001 1.00 56.69 MOL2 C ATOM 4533 SD MET B 108 7.669 38.233 164.878 1.00 59.90 MOL2 S ATOM 4534 CE MET B 108 7.171 36.533 165.020 1.00 59.83 MOL2 C ATOM 4535 H MET B 108 3.779 37.431 162.148 1.00 0.00 MOL2 H ATOM 4536 N VAL B 109 2.721 40.941 163.242 1.00 48.12 MOL2 N ATOM 4537 CA VAL B 109 2.084 41.966 162.399 1.00 47.64 MOL2 C ATOM 4538 C VAL B 109 3.008 43.171 162.298 1.00 47.91 MOL2 C ATOM 4539 O VAL B 109 3.530 43.530 163.365 1.00 49.32 MOL2 O ATOM 4540 CB VAL B 109 0.751 42.459 162.989 1.00 46.84 MOL2 C ATOM 4541 CG1 VAL B 109 0.220 43.543 162.042 1.00 46.74 MOL2 C ATOM 4542 CG2 VAL B 109 -0.231 41.288 163.210 1.00 45.63 MOL2 C ATOM 4543 H VAL B 109 2.849 41.145 164.193 1.00 0.00 MOL2 H ATOM 4544 N VAL B 110 3.231 43.832 161.157 1.00 47.18 MOL2 N ATOM 4545 CA VAL B 110 4.147 44.971 161.171 1.00 46.74 MOL2 C ATOM 4546 C VAL B 110 3.348 46.236 161.418 1.00 46.21 MOL2 C ATOM 4547 O VAL B 110 2.194 46.323 161.004 1.00 47.04 MOL2 O ATOM 4548 CB VAL B 110 4.996 45.025 159.831 1.00 46.22 MOL2 C ATOM 4549 CG1 VAL B 110 4.187 44.620 158.640 1.00 46.00 MOL2 C ATOM 4550 CG2 VAL B 110 5.565 46.440 159.639 1.00 45.87 MOL2 C ATOM 4551 H VAL B 110 2.668 43.673 160.370 1.00 0.00 MOL2 H ATOM 4552 N LEU B 111 3.963 47.176 162.128 1.00 44.76 MOL2 N ATOM 4553 CA LEU B 111 3.329 48.414 162.519 1.00 45.05 MOL2 C ATOM 4554 C LEU B 111 4.060 49.572 161.897 1.00 45.26 MOL2 C ATOM 4555 O LEU B 111 3.464 50.622 161.688 1.00 44.96 MOL2 O ATOM 4556 CB LEU B 111 3.346 48.664 164.060 1.00 45.21 MOL2 C ATOM 4557 CG LEU B 111 2.536 47.888 165.157 1.00 44.58 MOL2 C ATOM 4558 CD1 LEU B 111 3.102 46.490 165.486 1.00 41.24 MOL2 C ATOM 4559 CD2 LEU B 111 2.562 48.767 166.416 1.00 43.86 MOL2 C ATOM 4560 H LEU B 111 4.895 47.032 162.342 1.00 0.00 MOL2 H ATOM 4561 N GLU B 112 5.355 49.462 161.654 1.00 47.16 MOL2 N ATOM 4562 CA GLU B 112 6.116 50.548 161.045 1.00 51.44 MOL2 C ATOM 4563 C GLU B 112 7.196 49.903 160.207 1.00 52.53 MOL2 C ATOM 4564 O GLU B 112 7.772 48.930 160.706 1.00 54.09 MOL2 O ATOM 4565 CB GLU B 112 6.820 51.412 162.073 1.00 55.32 MOL2 C ATOM 4566 CG GLU B 112 6.053 52.571 162.730 1.00 62.38 MOL2 C ATOM 4567 CD GLU B 112 6.572 53.034 164.111 1.00 65.84 MOL2 C ATOM 4568 OE1 GLU B 112 7.793 53.012 164.374 1.00 67.09 MOL2 O ATOM 4569 OE2 GLU B 112 5.721 53.407 164.934 1.00 66.63 MOL2 O ATOM 4570 H GLU B 112 5.820 48.631 161.885 1.00 0.00 MOL2 H ATOM 4571 N GLU B 113 7.487 50.341 158.975 1.00 52.40 MOL2 N ATOM 4572 CA GLU B 113 8.568 49.755 158.203 1.00 51.27 MOL2 C ATOM 4573 C GLU B 113 9.679 50.795 158.203 1.00 52.13 MOL2 C ATOM 4574 O GLU B 113 9.833 51.603 157.292 1.00 51.48 MOL2 O ATOM 4575 CB GLU B 113 8.063 49.440 156.814 1.00 49.70 MOL2 C ATOM 4576 CG GLU B 113 7.333 48.113 156.922 1.00 48.78 MOL2 C ATOM 4577 CD GLU B 113 6.297 47.831 155.851 1.00 49.97 MOL2 C ATOM 4578 OE1 GLU B 113 5.388 48.656 155.716 1.00 51.32 MOL2 O ATOM 4579 OE2 GLU B 113 6.382 46.791 155.187 1.00 46.69 MOL2 O ATOM 4580 H GLU B 113 7.028 51.130 158.616 1.00 0.00 MOL2 H ATOM 4581 N SER B 114 10.441 50.782 159.294 1.00 53.74 MOL2 N ATOM 4582 CA SER B 114 11.490 51.748 159.599 1.00 54.36 MOL2 C ATOM 4583 C SER B 114 12.943 51.326 159.405 1.00 54.09 MOL2 C ATOM 4584 O SER B 114 13.802 51.512 160.275 1.00 53.58 MOL2 O ATOM 4585 CB SER B 114 11.267 52.196 161.038 1.00 56.70 MOL2 C ATOM 4586 OG SER B 114 11.025 51.127 161.966 1.00 57.35 MOL2 O ATOM 4587 H SER B 114 10.297 50.079 159.967 1.00 0.00 MOL2 H ATOM 4588 HG SER B 114 11.870 50.665 162.072 1.00 0.00 MOL2 H ATOM 4589 N GLY B 116 13.239 50.745 158.237 1.00 54.53 MOL2 N ATOM 4590 CA GLY B 116 14.594 50.327 157.858 1.00 54.09 MOL2 C ATOM 4591 C GLY B 116 14.945 48.956 158.401 1.00 52.70 MOL2 C ATOM 4592 O GLY B 116 14.130 48.026 158.371 1.00 51.89 MOL2 O ATOM 4593 H GLY B 116 12.512 50.628 157.595 1.00 0.00 MOL2 H ATOM 4594 N GLU B 117 16.167 48.902 158.924 1.00 51.22 MOL2 N ATOM 4595 CA GLU B 117 16.709 47.706 159.555 1.00 49.43 MOL2 C ATOM 4596 C GLU B 117 15.730 46.973 160.483 1.00 46.56 MOL2 C ATOM 4597 O GLU B 117 15.656 45.735 160.538 1.00 45.68 MOL2 O ATOM 4598 CB GLU B 117 17.946 48.118 160.352 1.00 51.60 MOL2 C ATOM 4599 CG GLU B 117 19.174 48.522 159.557 1.00 53.79 MOL2 C ATOM 4600 CD GLU B 117 19.930 47.352 158.934 1.00 56.57 MOL2 C ATOM 4601 OE1 GLU B 117 19.702 46.203 159.351 1.00 56.74 MOL2 O ATOM 4602 OE2 GLU B 117 20.754 47.611 158.039 1.00 56.20 MOL2 O ATOM 4603 H GLU B 117 16.714 49.709 158.912 1.00 0.00 MOL2 H ATOM 4604 N TRP B 118 14.980 47.810 161.224 1.00 42.66 MOL2 N ATOM 4605 CA TRP B 118 14.067 47.357 162.252 1.00 38.30 MOL2 C ATOM 4606 C TRP B 118 12.679 47.841 161.965 1.00 36.34 MOL2 C ATOM 4607 O TRP B 118 12.497 49.000 161.592 1.00 33.01 MOL2 O ATOM 4608 CB TRP B 118 14.352 47.907 163.605 1.00 36.39 MOL2 C ATOM 4609 CG TRP B 118 15.684 47.545 164.214 1.00 34.65 MOL2 C ATOM 4610 CD1 TRP B 118 16.748 48.368 164.020 1.00 35.07 MOL2 C ATOM 4611 CD2 TRP B 118 15.981 46.461 165.003 1.00 35.72 MOL2 C ATOM 4612 NE1 TRP B 118 17.731 47.822 164.684 1.00 35.28 MOL2 N ATOM 4613 CE2 TRP B 118 17.330 46.698 165.280 1.00 34.09 MOL2 C ATOM 4614 CE3 TRP B 118 15.360 45.328 165.545 1.00 37.33 MOL2 C ATOM 4615 CZ2 TRP B 118 18.087 45.843 166.072 1.00 32.74 MOL2 C ATOM 4616 CZ3 TRP B 118 16.123 44.466 166.346 1.00 36.82 MOL2 C ATOM 4617 CH2 TRP B 118 17.476 44.720 166.606 1.00 32.77 MOL2 C ATOM 4618 H TRP B 118 14.940 48.757 160.996 1.00 0.00 MOL2 H ATOM 4619 HE1 TRP B 118 18.670 48.129 164.671 1.00 0.00 MOL2 H ATOM 4620 N TRP B 119 11.719 46.958 162.150 1.00 36.14 MOL2 N ATOM 4621 CA TRP B 119 10.326 47.282 161.971 1.00 38.48 MOL2 C ATOM 4622 C TRP B 119 9.660 46.955 163.305 1.00 38.53 MOL2 C ATOM 4623 O TRP B 119 10.195 46.144 164.080 1.00 39.45 MOL2 O ATOM 4624 CB TRP B 119 9.690 46.436 160.877 1.00 41.38 MOL2 C ATOM 4625 CG TRP B 119 10.178 46.690 159.448 1.00 46.68 MOL2 C ATOM 4626 CD1 TRP B 119 11.050 47.703 159.114 1.00 47.13 MOL2 C ATOM 4627 CD2 TRP B 119 9.823 45.930 158.358 1.00 47.77 MOL2 C ATOM 4628 NE1 TRP B 119 11.260 47.598 157.829 1.00 47.80 MOL2 N ATOM 4629 CE2 TRP B 119 10.555 46.561 157.330 1.00 48.87 MOL2 C ATOM 4630 CE3 TRP B 119 9.017 44.818 158.085 1.00 46.97 MOL2 C ATOM 4631 CZ2 TRP B 119 10.478 46.081 156.010 1.00 49.38 MOL2 C ATOM 4632 CZ3 TRP B 119 8.941 44.339 156.774 1.00 46.68 MOL2 C ATOM 4633 CH2 TRP B 119 9.666 44.961 155.746 1.00 48.48 MOL2 C ATOM 4634 H TRP B 119 11.935 46.069 162.488 1.00 0.00 MOL2 H ATOM 4635 HE1 TRP B 119 11.968 48.077 157.350 1.00 0.00 MOL2 H ATOM 4636 N LYS B 120 8.534 47.587 163.663 1.00 36.70 MOL2 N ATOM 4637 CA LYS B 120 7.858 47.316 164.917 1.00 34.53 MOL2 C ATOM 4638 C LYS B 120 6.802 46.301 164.539 1.00 33.69 MOL2 C ATOM 4639 O LYS B 120 6.167 46.479 163.485 1.00 33.07 MOL2 O ATOM 4640 CB LYS B 120 7.241 48.612 165.454 1.00 35.10 MOL2 C ATOM 4641 CG LYS B 120 6.619 48.523 166.856 1.00 39.02 MOL2 C ATOM 4642 CD LYS B 120 6.239 49.913 167.408 1.00 42.33 MOL2 C ATOM 4643 CE LYS B 120 5.672 49.867 168.845 1.00 44.41 MOL2 C ATOM 4644 NZ LYS B 120 6.283 50.946 169.609 1.00 46.16 MOL2 N ATOM 4645 H LYS B 120 8.156 48.226 163.030 1.00 0.00 MOL2 H ATOM 4646 1HZ LYS B 120 7.318 50.876 169.513 1.00 0.00 MOL2 H ATOM 4647 2HZ LYS B 120 5.973 51.867 169.232 1.00 0.00 MOL2 H ATOM 4648 3HZ LYS B 120 6.026 50.875 170.614 1.00 0.00 MOL2 H ATOM 4649 N ALA B 121 6.654 45.247 165.337 1.00 32.60 MOL2 N ATOM 4650 CA ALA B 121 5.674 44.204 165.126 1.00 32.44 MOL2 C ATOM 4651 C ALA B 121 4.912 43.759 166.365 1.00 32.44 MOL2 C ATOM 4652 O ALA B 121 5.323 43.984 167.501 1.00 32.30 MOL2 O ATOM 4653 CB ALA B 121 6.321 42.959 164.548 1.00 31.34 MOL2 C ATOM 4654 H ALA B 121 7.236 45.150 166.113 1.00 0.00 MOL2 H ATOM 4655 N ARG B 122 3.742 43.166 166.213 1.00 32.75 MOL2 N ATOM 4656 CA ARG B 122 3.041 42.607 167.353 1.00 32.66 MOL2 C ATOM 4657 C ARG B 122 3.157 41.118 167.221 1.00 32.02 MOL2 C ATOM 4658 O ARG B 122 2.549 40.514 166.335 1.00 30.77 MOL2 O ATOM 4659 CB ARG B 122 1.557 42.916 167.364 1.00 34.43 MOL2 C ATOM 4660 CG ARG B 122 0.859 42.437 168.669 1.00 35.99 MOL2 C ATOM 4661 CD ARG B 122 -0.645 42.748 168.694 1.00 35.21 MOL2 C ATOM 4662 NE ARG B 122 -0.981 44.080 168.181 1.00 34.90 MOL2 N ATOM 4663 CZ ARG B 122 -1.745 44.232 167.074 1.00 35.07 MOL2 C ATOM 4664 NH1 ARG B 122 -2.231 43.167 166.382 1.00 35.39 MOL2 N ATOM 4665 NH2 ARG B 122 -2.042 45.474 166.671 1.00 34.18 MOL2 N ATOM 4666 H ARG B 122 3.333 43.131 165.321 1.00 0.00 MOL2 H ATOM 4667 HE ARG B 122 -0.621 44.869 168.636 1.00 0.00 MOL2 H ATOM 4668 1HH1 ARG B 122 -2.049 42.235 166.699 1.00 0.00 MOL2 H ATOM 4669 2HH1 ARG B 122 -2.790 43.313 165.566 1.00 0.00 MOL2 H ATOM 4670 1HH2 ARG B 122 -1.694 46.254 167.195 1.00 0.00 MOL2 H ATOM 4671 2HH2 ARG B 122 -2.593 45.615 165.849 1.00 0.00 MOL2 H ATOM 4672 N SER B 123 3.949 40.487 168.050 1.00 34.30 MOL2 N ATOM 4673 CA SER B 123 4.088 39.042 167.939 1.00 36.12 MOL2 C ATOM 4674 C SER B 123 2.741 38.407 168.173 1.00 36.08 MOL2 C ATOM 4675 O SER B 123 2.297 38.404 169.298 1.00 38.19 MOL2 O ATOM 4676 CB SER B 123 5.101 38.468 168.963 1.00 34.63 MOL2 C ATOM 4677 OG SER B 123 5.289 37.048 168.854 1.00 33.17 MOL2 O ATOM 4678 H SER B 123 4.401 40.987 168.765 1.00 0.00 MOL2 H ATOM 4679 HG SER B 123 6.092 36.873 169.362 1.00 0.00 MOL2 H ATOM 4680 N LEU B 124 2.100 37.878 167.142 1.00 36.89 MOL2 N ATOM 4681 CA LEU B 124 0.824 37.179 167.205 1.00 38.04 MOL2 C ATOM 4682 C LEU B 124 0.973 36.068 168.249 1.00 38.09 MOL2 C ATOM 4683 O LEU B 124 0.057 35.749 169.033 1.00 37.87 MOL2 O ATOM 4684 CB LEU B 124 0.550 36.634 165.781 1.00 41.33 MOL2 C ATOM 4685 CG LEU B 124 -0.768 36.549 164.939 1.00 43.12 MOL2 C ATOM 4686 CD1 LEU B 124 -1.252 35.085 164.953 1.00 45.71 MOL2 C ATOM 4687 CD2 LEU B 124 -1.790 37.594 165.419 1.00 43.87 MOL2 C ATOM 4688 H LEU B 124 2.551 37.928 166.274 1.00 0.00 MOL2 H ATOM 4689 N ALA B 125 2.204 35.543 168.281 1.00 36.64 MOL2 N ATOM 4690 CA ALA B 125 2.559 34.500 169.211 1.00 36.05 MOL2 C ATOM 4691 C ALA B 125 2.780 34.946 170.644 1.00 35.91 MOL2 C ATOM 4692 O ALA B 125 2.804 34.089 171.527 1.00 37.83 MOL2 O ATOM 4693 CB ALA B 125 3.802 33.834 168.715 1.00 37.14 MOL2 C ATOM 4694 H ALA B 125 2.891 35.883 167.674 1.00 0.00 MOL2 H ATOM 4695 N THR B 126 3.017 36.220 170.964 1.00 33.37 MOL2 N ATOM 4696 CA THR B 126 3.131 36.597 172.349 1.00 28.91 MOL2 C ATOM 4697 C THR B 126 2.278 37.742 172.740 1.00 29.87 MOL2 C ATOM 4698 O THR B 126 2.224 38.054 173.919 1.00 31.95 MOL2 O ATOM 4699 CB THR B 126 4.509 37.006 172.707 1.00 27.40 MOL2 C ATOM 4700 OG1 THR B 126 4.874 38.151 171.922 1.00 26.23 MOL2 O ATOM 4701 CG2 THR B 126 5.414 35.827 172.571 1.00 27.09 MOL2 C ATOM 4702 H THR B 126 3.147 36.894 170.268 1.00 0.00 MOL2 H ATOM 4703 HG1 THR B 126 5.805 38.311 172.134 1.00 0.00 MOL2 H ATOM 4704 N ARG B 127 1.633 38.392 171.785 1.00 29.97 MOL2 N ATOM 4705 CA ARG B 127 0.992 39.682 171.920 1.00 31.15 MOL2 C ATOM 4706 C ARG B 127 1.989 40.777 172.362 1.00 31.33 MOL2 C ATOM 4707 O ARG B 127 1.556 41.886 172.663 1.00 33.02 MOL2 O ATOM 4708 CB ARG B 127 -0.170 39.611 172.918 1.00 34.32 MOL2 C ATOM 4709 CG ARG B 127 -1.208 38.501 172.714 1.00 39.92 MOL2 C ATOM 4710 CD ARG B 127 -1.821 38.465 171.319 1.00 45.26 MOL2 C ATOM 4711 NE ARG B 127 -2.414 39.755 170.960 1.00 50.98 MOL2 N ATOM 4712 CZ ARG B 127 -3.068 40.053 169.814 1.00 52.27 MOL2 C ATOM 4713 NH1 ARG B 127 -3.292 39.212 168.794 1.00 52.41 MOL2 N ATOM 4714 NH2 ARG B 127 -3.505 41.301 169.677 1.00 52.97 MOL2 N ATOM 4715 H ARG B 127 1.539 37.940 170.928 1.00 0.00 MOL2 H ATOM 4716 HE ARG B 127 -2.266 40.518 171.547 1.00 0.00 MOL2 H ATOM 4717 1HH1 ARG B 127 -2.971 38.267 168.832 1.00 0.00 MOL2 H ATOM 4718 2HH1 ARG B 127 -3.801 39.536 167.994 1.00 0.00 MOL2 H ATOM 4719 1HH2 ARG B 127 -3.336 41.975 170.394 1.00 0.00 MOL2 H ATOM 4720 2HH2 ARG B 127 -3.996 41.571 168.847 1.00 0.00 MOL2 H ATOM 4721 N LYS B 128 3.315 40.636 172.427 1.00 30.35 MOL2 N ATOM 4722 CA LYS B 128 4.156 41.734 172.856 1.00 30.22 MOL2 C ATOM 4723 C LYS B 128 4.406 42.601 171.651 1.00 31.28 MOL2 C ATOM 4724 O LYS B 128 4.638 42.095 170.556 1.00 32.26 MOL2 O ATOM 4725 CB LYS B 128 5.425 41.189 173.373 1.00 30.81 MOL2 C ATOM 4726 CG LYS B 128 5.266 40.373 174.653 1.00 34.31 MOL2 C ATOM 4727 CD LYS B 128 6.662 39.854 174.949 1.00 37.11 MOL2 C ATOM 4728 CE LYS B 128 6.917 39.041 176.200 1.00 37.36 MOL2 C ATOM 4729 NZ LYS B 128 8.265 38.492 176.028 1.00 39.77 MOL2 N ATOM 4730 H LYS B 128 3.713 39.794 172.134 1.00 0.00 MOL2 H ATOM 4731 1HZ LYS B 128 8.347 38.026 175.101 1.00 0.00 MOL2 H ATOM 4732 2HZ LYS B 128 8.971 39.254 176.095 1.00 0.00 MOL2 H ATOM 4733 3HZ LYS B 128 8.456 37.787 176.771 1.00 0.00 MOL2 H ATOM 4734 N GLU B 129 4.277 43.906 171.758 1.00 34.09 MOL2 N ATOM 4735 CA GLU B 129 4.489 44.830 170.652 1.00 34.86 MOL2 C ATOM 4736 C GLU B 129 5.898 45.345 170.805 1.00 36.79 MOL2 C ATOM 4737 O GLU B 129 6.334 45.574 171.938 1.00 36.74 MOL2 O ATOM 4738 CB GLU B 129 3.524 46.044 170.687 1.00 34.41 MOL2 C ATOM 4739 CG GLU B 129 2.010 45.717 170.487 1.00 34.58 MOL2 C ATOM 4740 CD GLU B 129 1.042 46.865 170.101 1.00 35.79 MOL2 C ATOM 4741 OE1 GLU B 129 1.429 48.052 170.118 1.00 33.34 MOL2 O ATOM 4742 OE2 GLU B 129 -0.117 46.534 169.771 1.00 35.74 MOL2 O ATOM 4743 H GLU B 129 4.066 44.299 172.634 1.00 0.00 MOL2 H ATOM 4744 N GLY B 130 6.650 45.509 169.710 1.00 38.94 MOL2 N ATOM 4745 CA GLY B 130 8.017 46.005 169.803 1.00 39.16 MOL2 C ATOM 4746 C GLY B 130 8.852 45.664 168.582 1.00 39.21 MOL2 C ATOM 4747 O GLY B 130 8.311 45.229 167.578 1.00 41.69 MOL2 O ATOM 4748 H GLY B 130 6.325 45.227 168.825 1.00 0.00 MOL2 H ATOM 4749 N TYR B 131 10.178 45.768 168.618 1.00 39.34 MOL2 N ATOM 4750 CA TYR B 131 11.014 45.658 167.428 1.00 37.98 MOL2 C ATOM 4751 C TYR B 131 11.544 44.333 166.928 1.00 37.26 MOL2 C ATOM 4752 O TYR B 131 11.908 43.402 167.643 1.00 35.75 MOL2 O ATOM 4753 CB TYR B 131 12.173 46.598 167.601 1.00 38.06 MOL2 C ATOM 4754 CG TYR B 131 11.686 48.031 167.672 1.00 37.61 MOL2 C ATOM 4755 CD1 TYR B 131 11.361 48.714 166.512 1.00 41.56 MOL2 C ATOM 4756 CD2 TYR B 131 11.542 48.664 168.893 1.00 37.56 MOL2 C ATOM 4757 CE1 TYR B 131 10.887 50.035 166.571 1.00 42.07 MOL2 C ATOM 4758 CE2 TYR B 131 11.072 49.975 168.965 1.00 38.25 MOL2 C ATOM 4759 CZ TYR B 131 10.744 50.654 167.806 1.00 39.83 MOL2 C ATOM 4760 OH TYR B 131 10.235 51.938 167.879 1.00 43.41 MOL2 O ATOM 4761 H TYR B 131 10.604 45.808 169.504 1.00 0.00 MOL2 H ATOM 4762 HH TYR B 131 10.335 52.294 168.771 1.00 0.00 MOL2 H ATOM 4763 N ILE B 132 11.645 44.393 165.616 1.00 37.88 MOL2 N ATOM 4764 CA ILE B 132 11.938 43.278 164.770 1.00 38.00 MOL2 C ATOM 4765 C ILE B 132 13.041 43.629 163.765 1.00 37.43 MOL2 C ATOM 4766 O ILE B 132 13.040 44.686 163.113 1.00 36.80 MOL2 O ATOM 4767 CB ILE B 132 10.551 42.908 164.136 1.00 37.80 MOL2 C ATOM 4768 CG1 ILE B 132 10.288 41.474 164.493 1.00 38.37 MOL2 C ATOM 4769 CG2 ILE B 132 10.480 43.018 162.616 1.00 37.36 MOL2 C ATOM 4770 CD1 ILE B 132 9.614 41.346 165.857 1.00 39.39 MOL2 C ATOM 4771 H ILE B 132 11.497 45.253 165.170 1.00 0.00 MOL2 H ATOM 4772 N PRO B 133 14.005 42.726 163.594 1.00 37.11 MOL2 N ATOM 4773 CA PRO B 133 14.987 42.777 162.507 1.00 38.55 MOL2 C ATOM 4774 C PRO B 133 14.387 42.550 161.104 1.00 39.88 MOL2 C ATOM 4775 O PRO B 133 14.307 41.367 160.747 1.00 43.05 MOL2 O ATOM 4776 CB PRO B 133 15.981 41.719 162.989 1.00 35.52 MOL2 C ATOM 4777 CG PRO B 133 15.154 40.709 163.748 1.00 32.99 MOL2 C ATOM 4778 CD PRO B 133 14.228 41.606 164.510 1.00 35.88 MOL2 C ATOM 4779 N SER B 134 14.014 43.469 160.206 1.00 39.15 MOL2 N ATOM 4780 CA SER B 134 13.262 43.099 158.996 1.00 40.10 MOL2 C ATOM 4781 C SER B 134 13.736 41.964 158.088 1.00 40.91 MOL2 C ATOM 4782 O SER B 134 12.960 41.343 157.363 1.00 41.93 MOL2 O ATOM 4783 CB SER B 134 13.106 44.314 158.157 1.00 39.64 MOL2 C ATOM 4784 OG SER B 134 14.208 45.171 158.368 1.00 42.87 MOL2 O ATOM 4785 H SER B 134 14.350 44.389 160.274 1.00 0.00 MOL2 H ATOM 4786 HG SER B 134 13.916 46.082 158.236 1.00 0.00 MOL2 H ATOM 4787 N ASN B 135 14.999 41.588 158.153 1.00 40.45 MOL2 N ATOM 4788 CA ASN B 135 15.495 40.490 157.362 1.00 39.29 MOL2 C ATOM 4789 C ASN B 135 15.525 39.246 158.197 1.00 39.47 MOL2 C ATOM 4790 O ASN B 135 16.397 38.377 158.082 1.00 41.27 MOL2 O ATOM 4791 CB ASN B 135 16.886 40.815 156.833 1.00 40.22 MOL2 C ATOM 4792 CG ASN B 135 17.813 41.458 157.852 1.00 40.86 MOL2 C ATOM 4793 OD1 ASN B 135 17.590 42.611 158.219 1.00 43.82 MOL2 O ATOM 4794 ND2 ASN B 135 18.850 40.835 158.377 1.00 39.54 MOL2 N ATOM 4795 H ASN B 135 15.603 42.116 158.722 1.00 0.00 MOL2 H ATOM 4796 1HD2 ASN B 135 19.403 41.354 158.999 1.00 0.00 MOL2 H ATOM 4797 2HD2 ASN B 135 19.035 39.907 158.135 1.00 0.00 MOL2 H ATOM 4798 N TYR B 136 14.642 39.158 159.158 1.00 39.04 MOL2 N ATOM 4799 CA TYR B 136 14.466 37.868 159.770 1.00 42.09 MOL2 C ATOM 4800 C TYR B 136 13.053 37.445 159.522 1.00 44.28 MOL2 C ATOM 4801 O TYR B 136 12.587 36.421 160.028 1.00 43.45 MOL2 O ATOM 4802 CB TYR B 136 14.610 37.854 161.231 1.00 42.35 MOL2 C ATOM 4803 CG TYR B 136 16.007 37.601 161.721 1.00 42.06 MOL2 C ATOM 4804 CD1 TYR B 136 16.938 38.626 161.588 1.00 45.15 MOL2 C ATOM 4805 CD2 TYR B 136 16.347 36.423 162.376 1.00 40.26 MOL2 C ATOM 4806 CE1 TYR B 136 18.227 38.495 162.110 1.00 44.77 MOL2 C ATOM 4807 CE2 TYR B 136 17.630 36.273 162.897 1.00 41.35 MOL2 C ATOM 4808 CZ TYR B 136 18.558 37.315 162.758 1.00 43.54 MOL2 C ATOM 4809 OH TYR B 136 19.829 37.233 163.280 1.00 46.33 MOL2 O ATOM 4810 H TYR B 136 14.156 39.938 159.495 1.00 0.00 MOL2 H ATOM 4811 HH TYR B 136 20.042 36.318 163.482 1.00 0.00 MOL2 H ATOM 4812 N VAL B 137 12.335 38.208 158.727 1.00 47.58 MOL2 N ATOM 4813 CA VAL B 137 10.971 37.890 158.434 1.00 52.27 MOL2 C ATOM 4814 C VAL B 137 10.704 38.273 156.981 1.00 55.20 MOL2 C ATOM 4815 O VAL B 137 11.530 38.855 156.258 1.00 55.87 MOL2 O ATOM 4816 CB VAL B 137 10.037 38.666 159.395 1.00 54.04 MOL2 C ATOM 4817 CG1 VAL B 137 10.095 38.061 160.809 1.00 54.73 MOL2 C ATOM 4818 CG2 VAL B 137 10.461 40.145 159.442 1.00 55.85 MOL2 C ATOM 4819 H VAL B 137 12.722 38.938 158.190 1.00 0.00 MOL2 H ATOM 4820 N ALA B 138 9.537 37.840 156.535 1.00 58.38 MOL2 N ATOM 4821 CA ALA B 138 9.046 38.162 155.210 1.00 61.08 MOL2 C ATOM 4822 C ALA B 138 7.535 37.895 155.220 1.00 62.31 MOL2 C ATOM 4823 O ALA B 138 7.020 37.175 156.082 1.00 61.75 MOL2 O ATOM 4824 CB ALA B 138 9.735 37.285 154.166 1.00 60.55 MOL2 C ATOM 4825 H ALA B 138 8.989 37.245 157.093 1.00 0.00 MOL2 H ATOM 4826 N ARG B 139 6.806 38.540 154.309 1.00 63.94 MOL2 N ATOM 4827 CA ARG B 139 5.360 38.471 154.204 1.00 65.77 MOL2 C ATOM 4828 C ARG B 139 4.922 37.028 153.977 1.00 65.63 MOL2 C ATOM 4829 O ARG B 139 5.452 36.314 153.114 1.00 65.52 MOL2 O ATOM 4830 CB ARG B 139 5.033 39.430 153.083 1.00 68.51 MOL2 C ATOM 4831 CG ARG B 139 3.620 39.545 152.572 1.00 74.00 MOL2 C ATOM 4832 CD ARG B 139 3.691 40.463 151.349 1.00 79.76 MOL2 C ATOM 4833 NE ARG B 139 4.643 40.018 150.315 1.00 83.94 MOL2 N ATOM 4834 CZ ARG B 139 4.278 39.653 149.071 1.00 85.02 MOL2 C ATOM 4835 NH1 ARG B 139 2.993 39.662 148.693 1.00 85.80 MOL2 N ATOM 4836 NH2 ARG B 139 5.210 39.274 148.182 1.00 84.64 MOL2 N ATOM 4837 H ARG B 139 7.296 38.986 153.592 1.00 0.00 MOL2 H ATOM 4838 HE ARG B 139 5.590 39.933 150.551 1.00 0.00 MOL2 H ATOM 4839 1HH1 ARG B 139 2.286 39.951 149.338 1.00 0.00 MOL2 H ATOM 4840 2HH1 ARG B 139 2.735 39.394 147.765 1.00 0.00 MOL2 H ATOM 4841 1HH2 ARG B 139 6.172 39.208 148.442 1.00 0.00 MOL2 H ATOM 4842 2HH2 ARG B 139 4.919 38.981 147.270 1.00 0.00 MOL2 H ATOM 4843 N VAL B 140 3.946 36.603 154.785 1.00 65.38 MOL2 N ATOM 4844 CA VAL B 140 3.527 35.222 154.819 1.00 65.27 MOL2 C ATOM 4845 C VAL B 140 3.138 34.827 153.431 1.00 65.88 MOL2 C ATOM 4846 O VAL B 140 2.593 35.568 152.615 1.00 65.87 MOL2 O ATOM 4847 CB VAL B 140 2.332 34.981 155.765 1.00 64.88 MOL2 C ATOM 4848 CG1 VAL B 140 2.010 33.498 155.905 1.00 65.26 MOL2 C ATOM 4849 CG2 VAL B 140 2.724 35.339 157.167 1.00 65.05 MOL2 C ATOM 4850 H VAL B 140 3.452 37.265 155.315 1.00 0.00 MOL2 H ATOM 4851 N ASP B 141 3.705 33.665 153.212 1.00 67.36 MOL2 N ATOM 4852 CA ASP B 141 3.556 32.931 151.987 1.00 71.00 MOL2 C ATOM 4853 C ASP B 141 4.215 33.509 150.740 1.00 72.05 MOL2 C ATOM 4854 O ASP B 141 4.211 32.774 149.748 1.00 74.51 MOL2 O ATOM 4855 CB ASP B 141 2.053 32.678 151.703 1.00 71.91 MOL2 C ATOM 4856 CG ASP B 141 1.438 31.529 152.497 1.00 73.49 MOL2 C ATOM 4857 OD1 ASP B 141 2.076 31.036 153.442 1.00 73.83 MOL2 O ATOM 4858 OD2 ASP B 141 0.311 31.142 152.158 1.00 73.36 MOL2 O ATOM 4859 H ASP B 141 4.335 33.317 153.875 1.00 0.00 MOL2 H ATOM 4860 N SER B 142 4.820 34.699 150.647 1.00 70.36 MOL2 N ATOM 4861 CA SER B 142 5.483 35.028 149.395 1.00 68.95 MOL2 C ATOM 4862 C SER B 142 6.764 34.180 149.266 1.00 68.63 MOL2 C ATOM 4863 O SER B 142 7.129 33.514 150.246 1.00 68.56 MOL2 O ATOM 4864 CB SER B 142 5.773 36.485 149.423 1.00 69.36 MOL2 C ATOM 4865 OG SER B 142 6.519 36.838 150.574 1.00 68.54 MOL2 O ATOM 4866 H SER B 142 4.875 35.275 151.437 1.00 0.00 MOL2 H ATOM 4867 HG SER B 142 6.088 36.527 151.379 1.00 0.00 MOL2 H ATOM 4868 N LEU B 143 7.501 34.176 148.131 1.00 68.24 MOL2 N ATOM 4869 CA LEU B 143 8.725 33.362 147.870 1.00 67.14 MOL2 C ATOM 4870 C LEU B 143 9.692 32.855 148.935 1.00 65.51 MOL2 C ATOM 4871 O LEU B 143 9.974 31.662 149.037 1.00 62.37 MOL2 O ATOM 4872 CB LEU B 143 9.719 34.025 146.914 1.00 68.77 MOL2 C ATOM 4873 CG LEU B 143 9.605 34.165 145.424 1.00 68.25 MOL2 C ATOM 4874 CD1 LEU B 143 9.481 32.784 144.781 1.00 66.09 MOL2 C ATOM 4875 CD2 LEU B 143 8.506 35.180 145.164 1.00 70.20 MOL2 C ATOM 4876 H LEU B 143 7.160 34.724 147.399 1.00 0.00 MOL2 H ATOM 4877 N GLU B 144 10.195 33.860 149.666 1.00 65.92 MOL2 N ATOM 4878 CA GLU B 144 11.214 33.788 150.706 1.00 67.05 MOL2 C ATOM 4879 C GLU B 144 11.046 32.662 151.716 1.00 67.77 MOL2 C ATOM 4880 O GLU B 144 12.000 32.096 152.249 1.00 67.37 MOL2 O ATOM 4881 CB GLU B 144 11.247 35.133 151.438 1.00 67.23 MOL2 C ATOM 4882 CG GLU B 144 11.845 36.383 150.739 1.00 67.87 MOL2 C ATOM 4883 CD GLU B 144 11.075 37.189 149.675 1.00 68.37 MOL2 C ATOM 4884 OE1 GLU B 144 10.137 36.703 149.027 1.00 66.95 MOL2 O ATOM 4885 OE2 GLU B 144 11.461 38.349 149.488 1.00 67.94 MOL2 O ATOM 4886 H GLU B 144 9.759 34.722 149.541 1.00 0.00 MOL2 H ATOM 4887 N THR B 145 9.769 32.387 151.936 1.00 68.87 MOL2 N ATOM 4888 CA THR B 145 9.276 31.358 152.816 1.00 69.81 MOL2 C ATOM 4889 C THR B 145 9.730 29.917 152.537 1.00 69.76 MOL2 C ATOM 4890 O THR B 145 10.162 29.225 153.477 1.00 70.59 MOL2 O ATOM 4891 CB THR B 145 7.732 31.492 152.785 1.00 70.24 MOL2 C ATOM 4892 OG1 THR B 145 7.464 32.886 152.999 1.00 70.71 MOL2 O ATOM 4893 CG2 THR B 145 7.004 30.615 153.820 1.00 71.86 MOL2 C ATOM 4894 H THR B 145 9.086 32.933 151.504 1.00 0.00 MOL2 H ATOM 4895 HG1 THR B 145 7.211 33.284 152.155 1.00 0.00 MOL2 H ATOM 4896 N GLU B 146 9.667 29.379 151.313 1.00 69.32 MOL2 N ATOM 4897 CA GLU B 146 9.938 27.957 151.194 1.00 68.65 MOL2 C ATOM 4898 C GLU B 146 11.455 27.949 151.084 1.00 66.72 MOL2 C ATOM 4899 O GLU B 146 12.090 28.620 150.268 1.00 67.46 MOL2 O ATOM 4900 CB GLU B 146 9.238 27.293 149.930 1.00 70.32 MOL2 C ATOM 4901 CG GLU B 146 7.657 27.167 149.817 1.00 74.37 MOL2 C ATOM 4902 CD GLU B 146 6.806 26.050 150.509 1.00 77.81 MOL2 C ATOM 4903 OE1 GLU B 146 7.356 25.090 151.065 1.00 79.98 MOL2 O ATOM 4904 OE2 GLU B 146 5.563 26.111 150.470 1.00 78.05 MOL2 O ATOM 4905 H GLU B 146 9.675 29.957 150.517 1.00 0.00 MOL2 H ATOM 4906 N GLU B 147 11.981 27.302 152.114 1.00 63.88 MOL2 N ATOM 4907 CA GLU B 147 13.360 26.849 152.276 1.00 60.32 MOL2 C ATOM 4908 C GLU B 147 14.497 27.014 151.229 1.00 56.54 MOL2 C ATOM 4909 O GLU B 147 15.679 27.159 151.574 1.00 56.04 MOL2 O ATOM 4910 CB GLU B 147 13.235 25.354 152.635 1.00 62.87 MOL2 C ATOM 4911 CG GLU B 147 12.646 24.992 154.003 1.00 67.03 MOL2 C ATOM 4912 CD GLU B 147 13.643 25.098 155.171 1.00 69.69 MOL2 C ATOM 4913 OE1 GLU B 147 14.577 24.287 155.218 1.00 71.10 MOL2 O ATOM 4914 OE2 GLU B 147 13.504 25.987 156.026 1.00 71.41 MOL2 O ATOM 4915 H GLU B 147 11.397 27.259 152.906 1.00 0.00 MOL2 H ATOM 4916 N TRP B 148 14.127 26.883 149.940 1.00 51.52 MOL2 N ATOM 4917 CA TRP B 148 14.966 26.749 148.750 1.00 44.26 MOL2 C ATOM 4918 C TRP B 148 15.291 27.972 147.899 1.00 42.33 MOL2 C ATOM 4919 O TRP B 148 16.178 27.943 147.021 1.00 41.21 MOL2 O ATOM 4920 CB TRP B 148 14.316 25.678 147.872 1.00 40.58 MOL2 C ATOM 4921 CG TRP B 148 12.804 25.708 147.553 1.00 36.55 MOL2 C ATOM 4922 CD1 TRP B 148 11.999 24.649 147.939 1.00 35.38 MOL2 C ATOM 4923 CD2 TRP B 148 12.108 26.631 146.813 1.00 33.70 MOL2 C ATOM 4924 NE1 TRP B 148 10.815 24.890 147.439 1.00 33.38 MOL2 N ATOM 4925 CE2 TRP B 148 10.836 26.046 146.763 1.00 32.30 MOL2 C ATOM 4926 CE3 TRP B 148 12.327 27.843 146.162 1.00 33.19 MOL2 C ATOM 4927 CZ2 TRP B 148 9.804 26.668 146.075 1.00 30.16 MOL2 C ATOM 4928 CZ3 TRP B 148 11.288 28.474 145.465 1.00 30.50 MOL2 C ATOM 4929 CH2 TRP B 148 10.040 27.884 145.424 1.00 29.93 MOL2 C ATOM 4930 H TRP B 148 13.174 26.985 149.778 1.00 0.00 MOL2 H ATOM 4931 HE1 TRP B 148 10.035 24.286 147.526 1.00 0.00 MOL2 H ATOM 4932 N PHE B 149 14.502 29.021 148.142 1.00 38.06 MOL2 N ATOM 4933 CA PHE B 149 14.663 30.283 147.476 1.00 33.52 MOL2 C ATOM 4934 C PHE B 149 15.656 31.124 148.264 1.00 33.66 MOL2 C ATOM 4935 O PHE B 149 15.627 31.182 149.488 1.00 34.61 MOL2 O ATOM 4936 CB PHE B 149 13.325 30.924 147.420 1.00 28.88 MOL2 C ATOM 4937 CG PHE B 149 13.364 32.203 146.629 1.00 26.98 MOL2 C ATOM 4938 CD1 PHE B 149 13.347 32.137 145.251 1.00 25.12 MOL2 C ATOM 4939 CD2 PHE B 149 13.435 33.435 147.284 1.00 26.84 MOL2 C ATOM 4940 CE1 PHE B 149 13.410 33.315 144.526 1.00 25.25 MOL2 C ATOM 4941 CE2 PHE B 149 13.493 34.611 146.555 1.00 26.13 MOL2 C ATOM 4942 CZ PHE B 149 13.483 34.549 145.168 1.00 26.23 MOL2 C ATOM 4943 H PHE B 149 13.866 29.003 148.889 1.00 0.00 MOL2 H ATOM 4944 N PHE B 150 16.610 31.781 147.637 1.00 34.12 MOL2 N ATOM 4945 CA PHE B 150 17.561 32.594 148.350 1.00 36.14 MOL2 C ATOM 4946 C PHE B 150 17.410 33.937 147.685 1.00 36.55 MOL2 C ATOM 4947 O PHE B 150 17.577 33.981 146.466 1.00 35.91 MOL2 O ATOM 4948 CB PHE B 150 18.957 32.040 148.139 1.00 39.09 MOL2 C ATOM 4949 CG PHE B 150 19.207 30.709 148.844 1.00 40.85 MOL2 C ATOM 4950 CD1 PHE B 150 18.386 29.580 148.581 1.00 40.89 MOL2 C ATOM 4951 CD2 PHE B 150 20.247 30.625 149.784 1.00 41.01 MOL2 C ATOM 4952 CE1 PHE B 150 18.571 28.367 149.244 1.00 39.55 MOL2 C ATOM 4953 CE2 PHE B 150 20.429 29.401 150.444 1.00 42.61 MOL2 C ATOM 4954 CZ PHE B 150 19.597 28.289 150.178 1.00 41.49 MOL2 C ATOM 4955 H PHE B 150 16.706 31.714 146.659 1.00 0.00 MOL2 H ATOM 4956 N LYS B 151 17.122 35.022 148.413 1.00 37.69 MOL2 N ATOM 4957 CA LYS B 151 16.831 36.262 147.727 1.00 40.94 MOL2 C ATOM 4958 C LYS B 151 18.052 36.899 147.090 1.00 43.14 MOL2 C ATOM 4959 O LYS B 151 18.356 36.597 145.929 1.00 44.87 MOL2 O ATOM 4960 CB LYS B 151 16.135 37.282 148.688 1.00 42.39 MOL2 C ATOM 4961 CG LYS B 151 15.404 38.584 148.149 1.00 46.48 MOL2 C ATOM 4962 CD LYS B 151 14.074 38.351 147.343 1.00 51.33 MOL2 C ATOM 4963 CE LYS B 151 13.446 39.508 146.478 1.00 53.69 MOL2 C ATOM 4964 NZ LYS B 151 12.561 39.002 145.417 1.00 51.95 MOL2 N ATOM 4965 H LYS B 151 17.070 34.935 149.385 1.00 0.00 MOL2 H ATOM 4966 1HZ LYS B 151 13.098 38.356 144.804 1.00 0.00 MOL2 H ATOM 4967 2HZ LYS B 151 11.754 38.498 145.840 1.00 0.00 MOL2 H ATOM 4968 3HZ LYS B 151 12.206 39.801 144.855 1.00 0.00 MOL2 H ATOM 4969 N GLY B 152 18.874 37.658 147.822 1.00 44.73 MOL2 N ATOM 4970 CA GLY B 152 19.852 38.572 147.200 1.00 44.57 MOL2 C ATOM 4971 C GLY B 152 21.112 38.045 146.543 1.00 43.16 MOL2 C ATOM 4972 O GLY B 152 22.011 38.837 146.230 1.00 44.48 MOL2 O ATOM 4973 H GLY B 152 18.833 37.595 148.793 1.00 0.00 MOL2 H ATOM 4974 N ILE B 153 21.111 36.768 146.215 1.00 41.50 MOL2 N ATOM 4975 CA ILE B 153 22.332 36.097 145.912 1.00 41.03 MOL2 C ATOM 4976 C ILE B 153 22.847 36.276 144.496 1.00 40.09 MOL2 C ATOM 4977 O ILE B 153 22.160 36.038 143.504 1.00 41.47 MOL2 O ATOM 4978 CB ILE B 153 22.090 34.612 146.289 1.00 42.15 MOL2 C ATOM 4979 CG1 ILE B 153 21.562 34.443 147.717 1.00 42.30 MOL2 C ATOM 4980 CG2 ILE B 153 23.429 33.883 146.227 1.00 45.03 MOL2 C ATOM 4981 CD1 ILE B 153 22.467 34.950 148.864 1.00 41.48 MOL2 C ATOM 4982 H ILE B 153 20.283 36.330 145.948 1.00 0.00 MOL2 H ATOM 4983 N SER B 154 24.097 36.732 144.418 1.00 37.74 MOL2 N ATOM 4984 CA SER B 154 24.758 36.826 143.145 1.00 37.26 MOL2 C ATOM 4985 C SER B 154 24.952 35.380 142.641 1.00 37.66 MOL2 C ATOM 4986 O SER B 154 24.721 34.432 143.413 1.00 37.78 MOL2 O ATOM 4987 CB SER B 154 26.115 37.568 143.329 1.00 39.34 MOL2 C ATOM 4988 OG SER B 154 27.307 36.890 143.784 1.00 39.14 MOL2 O ATOM 4989 H SER B 154 24.552 36.994 145.238 1.00 0.00 MOL2 H ATOM 4990 HG SER B 154 27.923 37.568 144.104 1.00 0.00 MOL2 H ATOM 4991 N ARG B 155 25.443 35.142 141.394 1.00 36.58 MOL2 N ATOM 4992 CA ARG B 155 25.621 33.786 140.870 1.00 34.85 MOL2 C ATOM 4993 C ARG B 155 26.864 33.183 141.470 1.00 33.36 MOL2 C ATOM 4994 O ARG B 155 26.925 31.965 141.650 1.00 33.07 MOL2 O ATOM 4995 CB ARG B 155 25.796 33.774 139.370 1.00 37.61 MOL2 C ATOM 4996 CG ARG B 155 25.841 32.390 138.715 1.00 41.05 MOL2 C ATOM 4997 CD ARG B 155 26.451 32.322 137.294 1.00 43.05 MOL2 C ATOM 4998 NE ARG B 155 27.886 32.639 137.227 1.00 45.46 MOL2 N ATOM 4999 CZ ARG B 155 28.355 33.868 136.866 1.00 47.38 MOL2 C ATOM 5000 NH1 ARG B 155 27.537 34.905 136.540 1.00 48.91 MOL2 N ATOM 5001 NH2 ARG B 155 29.673 34.097 136.839 1.00 43.75 MOL2 N ATOM 5002 H ARG B 155 25.642 35.895 140.810 1.00 0.00 MOL2 H ATOM 5003 HE ARG B 155 28.531 31.957 137.507 1.00 0.00 MOL2 H ATOM 5004 1HH1 ARG B 155 26.545 34.780 136.554 1.00 0.00 MOL2 H ATOM 5005 2HH1 ARG B 155 27.925 35.789 136.275 1.00 0.00 MOL2 H ATOM 5006 1HH2 ARG B 155 30.319 33.383 137.099 1.00 0.00 MOL2 H ATOM 5007 2HH2 ARG B 155 30.014 35.000 136.574 1.00 0.00 MOL2 H ATOM 5008 N LYS B 156 27.869 34.014 141.800 1.00 31.97 MOL2 N ATOM 5009 CA LYS B 156 29.087 33.510 142.440 1.00 29.61 MOL2 C ATOM 5010 C LYS B 156 28.905 33.261 143.915 1.00 28.04 MOL2 C ATOM 5011 O LYS B 156 29.309 32.191 144.376 1.00 27.59 MOL2 O ATOM 5012 CB LYS B 156 30.259 34.459 142.278 1.00 28.01 MOL2 C ATOM 5013 CG LYS B 156 31.058 34.038 141.079 1.00 25.83 MOL2 C ATOM 5014 CD LYS B 156 31.864 32.862 141.543 1.00 26.58 MOL2 C ATOM 5015 CE LYS B 156 32.739 32.306 140.445 1.00 27.01 MOL2 C ATOM 5016 NZ LYS B 156 33.949 31.757 141.058 1.00 28.73 MOL2 N ATOM 5017 H LYS B 156 27.752 34.969 141.638 1.00 0.00 MOL2 H ATOM 5018 1HZ LYS B 156 33.634 31.134 141.826 1.00 0.00 MOL2 H ATOM 5019 2HZ LYS B 156 34.480 31.197 140.360 1.00 0.00 MOL2 H ATOM 5020 3HZ LYS B 156 34.560 32.512 141.435 1.00 0.00 MOL2 H ATOM 5021 N ASP B 157 28.267 34.161 144.663 1.00 27.25 MOL2 N ATOM 5022 CA ASP B 157 28.020 33.864 146.055 1.00 29.04 MOL2 C ATOM 5023 C ASP B 157 27.299 32.530 146.161 1.00 30.58 MOL2 C ATOM 5024 O ASP B 157 27.741 31.684 146.952 1.00 32.71 MOL2 O ATOM 5025 CB ASP B 157 27.195 34.954 146.664 1.00 30.28 MOL2 C ATOM 5026 CG ASP B 157 27.999 36.234 146.916 1.00 32.71 MOL2 C ATOM 5027 OD1 ASP B 157 29.203 36.164 147.226 1.00 31.52 MOL2 O ATOM 5028 OD2 ASP B 157 27.386 37.308 146.823 1.00 32.48 MOL2 O ATOM 5029 H ASP B 157 27.963 35.005 144.266 1.00 0.00 MOL2 H ATOM 5030 N ALA B 158 26.304 32.271 145.285 1.00 29.17 MOL2 N ATOM 5031 CA ALA B 158 25.603 31.001 145.235 1.00 26.59 MOL2 C ATOM 5032 C ALA B 158 26.537 29.840 145.039 1.00 27.11 MOL2 C ATOM 5033 O ALA B 158 26.295 28.793 145.632 1.00 26.18 MOL2 O ATOM 5034 CB ALA B 158 24.656 30.925 144.097 1.00 25.76 MOL2 C ATOM 5035 H ALA B 158 25.985 32.989 144.698 1.00 0.00 MOL2 H ATOM 5036 N GLU B 159 27.614 29.983 144.252 1.00 28.38 MOL2 N ATOM 5037 CA GLU B 159 28.548 28.871 144.070 1.00 29.11 MOL2 C ATOM 5038 C GLU B 159 29.188 28.641 145.413 1.00 27.96 MOL2 C ATOM 5039 O GLU B 159 29.096 27.521 145.888 1.00 26.02 MOL2 O ATOM 5040 CB GLU B 159 29.689 29.158 143.048 1.00 32.85 MOL2 C ATOM 5041 CG GLU B 159 29.384 29.237 141.499 1.00 37.90 MOL2 C ATOM 5042 CD GLU B 159 30.586 29.286 140.522 1.00 41.68 MOL2 C ATOM 5043 OE1 GLU B 159 31.731 29.184 141.021 1.00 41.23 MOL2 O ATOM 5044 OE2 GLU B 159 30.361 29.411 139.283 1.00 41.67 MOL2 O ATOM 5045 H GLU B 159 27.791 30.845 143.824 1.00 0.00 MOL2 H ATOM 5046 N ARG B 160 29.697 29.674 146.102 1.00 29.04 MOL2 N ATOM 5047 CA ARG B 160 30.394 29.536 147.393 1.00 30.53 MOL2 C ATOM 5048 C ARG B 160 29.606 28.856 148.519 1.00 30.28 MOL2 C ATOM 5049 O ARG B 160 30.049 27.955 149.244 1.00 27.59 MOL2 O ATOM 5050 CB ARG B 160 30.819 30.902 147.869 1.00 30.83 MOL2 C ATOM 5051 CG ARG B 160 31.866 31.488 146.928 1.00 35.12 MOL2 C ATOM 5052 CD ARG B 160 32.400 32.921 147.269 1.00 35.80 MOL2 C ATOM 5053 NE ARG B 160 33.294 33.424 146.219 1.00 33.38 MOL2 N ATOM 5054 CZ ARG B 160 33.212 34.629 145.629 1.00 32.32 MOL2 C ATOM 5055 NH1 ARG B 160 32.280 35.563 145.929 1.00 30.60 MOL2 N ATOM 5056 NH2 ARG B 160 34.132 34.904 144.703 1.00 32.35 MOL2 N ATOM 5057 H ARG B 160 29.559 30.577 145.730 1.00 0.00 MOL2 H ATOM 5058 HE ARG B 160 33.969 32.810 145.878 1.00 0.00 MOL2 H ATOM 5059 1HH1 ARG B 160 31.601 35.398 146.644 1.00 0.00 MOL2 H ATOM 5060 2HH1 ARG B 160 32.284 36.444 145.452 1.00 0.00 MOL2 H ATOM 5061 1HH2 ARG B 160 34.826 34.231 144.452 1.00 0.00 MOL2 H ATOM 5062 2HH2 ARG B 160 34.096 35.786 144.229 1.00 0.00 MOL2 H ATOM 5063 N GLN B 161 28.360 29.285 148.583 1.00 30.95 MOL2 N ATOM 5064 CA GLN B 161 27.414 28.805 149.555 1.00 31.94 MOL2 C ATOM 5065 C GLN B 161 27.031 27.366 149.399 1.00 30.11 MOL2 C ATOM 5066 O GLN B 161 26.819 26.628 150.366 1.00 30.49 MOL2 O ATOM 5067 CB GLN B 161 26.122 29.577 149.479 1.00 36.51 MOL2 C ATOM 5068 CG GLN B 161 26.132 30.853 150.311 1.00 41.30 MOL2 C ATOM 5069 CD GLN B 161 24.739 31.172 150.839 1.00 42.47 MOL2 C ATOM 5070 OE1 GLN B 161 24.258 32.295 150.705 1.00 42.63 MOL2 O ATOM 5071 NE2 GLN B 161 24.064 30.220 151.486 1.00 44.77 MOL2 N ATOM 5072 H GLN B 161 28.083 29.950 147.916 1.00 0.00 MOL2 H ATOM 5073 1HE2 GLN B 161 23.170 30.450 151.806 1.00 0.00 MOL2 H ATOM 5074 2HE2 GLN B 161 24.458 29.331 151.615 1.00 0.00 MOL2 H ATOM 5075 N LEU B 162 26.848 26.998 148.149 1.00 29.19 MOL2 N ATOM 5076 CA LEU B 162 26.431 25.646 147.888 1.00 29.08 MOL2 C ATOM 5077 C LEU B 162 27.617 24.762 148.164 1.00 30.05 MOL2 C ATOM 5078 O LEU B 162 27.461 23.582 148.461 1.00 30.04 MOL2 O ATOM 5079 CB LEU B 162 25.925 25.531 146.425 1.00 27.33 MOL2 C ATOM 5080 CG LEU B 162 24.399 25.660 146.369 1.00 26.57 MOL2 C ATOM 5081 CD1 LEU B 162 23.820 25.698 144.986 1.00 25.79 MOL2 C ATOM 5082 CD2 LEU B 162 23.852 24.421 147.047 1.00 28.06 MOL2 C ATOM 5083 H LEU B 162 26.982 27.621 147.391 1.00 0.00 MOL2 H ATOM 5084 N LEU B 163 28.815 25.330 148.138 1.00 31.87 MOL2 N ATOM 5085 CA LEU B 163 29.982 24.530 148.411 1.00 34.82 MOL2 C ATOM 5086 C LEU B 163 30.491 24.520 149.831 1.00 38.45 MOL2 C ATOM 5087 O LEU B 163 31.493 23.891 150.199 1.00 40.21 MOL2 O ATOM 5088 CB LEU B 163 31.056 24.960 147.470 1.00 32.22 MOL2 C ATOM 5089 CG LEU B 163 30.868 24.375 146.103 1.00 28.78 MOL2 C ATOM 5090 CD1 LEU B 163 31.884 24.969 145.179 1.00 27.88 MOL2 C ATOM 5091 CD2 LEU B 163 30.992 22.868 146.176 1.00 29.43 MOL2 C ATOM 5092 H LEU B 163 28.923 26.245 147.801 1.00 0.00 MOL2 H ATOM 5093 N ALA B 164 29.738 25.220 150.660 1.00 42.04 MOL2 N ATOM 5094 CA ALA B 164 29.967 25.156 152.081 1.00 43.79 MOL2 C ATOM 5095 C ALA B 164 29.770 23.719 152.549 1.00 45.64 MOL2 C ATOM 5096 O ALA B 164 28.974 22.936 152.010 1.00 44.91 MOL2 O ATOM 5097 CB ALA B 164 28.975 26.029 152.840 1.00 45.70 MOL2 C ATOM 5098 H ALA B 164 29.040 25.800 150.295 1.00 0.00 MOL2 H ATOM 5099 N PRO B 165 30.521 23.357 153.576 1.00 48.52 MOL2 N ATOM 5100 CA PRO B 165 30.277 22.198 154.397 1.00 50.76 MOL2 C ATOM 5101 C PRO B 165 28.819 21.979 154.764 1.00 52.48 MOL2 C ATOM 5102 O PRO B 165 28.161 22.898 155.249 1.00 51.08 MOL2 O ATOM 5103 CB PRO B 165 31.168 22.437 155.602 1.00 50.70 MOL2 C ATOM 5104 CG PRO B 165 31.351 23.940 155.637 1.00 49.94 MOL2 C ATOM 5105 CD PRO B 165 31.601 24.146 154.163 1.00 49.81 MOL2 C ATOM 5106 N GLY B 166 28.330 20.767 154.476 1.00 55.58 MOL2 N ATOM 5107 CA GLY B 166 26.997 20.367 154.900 1.00 57.34 MOL2 C ATOM 5108 C GLY B 166 26.160 19.991 153.702 1.00 58.09 MOL2 C ATOM 5109 O GLY B 166 25.357 19.057 153.747 1.00 59.61 MOL2 O ATOM 5110 H GLY B 166 28.824 20.169 153.878 1.00 0.00 MOL2 H ATOM 5111 N ASN B 167 26.427 20.713 152.627 1.00 56.88 MOL2 N ATOM 5112 CA ASN B 167 25.721 20.505 151.398 1.00 56.68 MOL2 C ATOM 5113 C ASN B 167 26.336 19.267 150.765 1.00 57.22 MOL2 C ATOM 5114 O ASN B 167 27.514 18.978 150.999 1.00 57.97 MOL2 O ATOM 5115 CB ASN B 167 25.912 21.744 150.594 1.00 55.84 MOL2 C ATOM 5116 CG ASN B 167 25.386 22.949 151.356 1.00 54.12 MOL2 C ATOM 5117 OD1 ASN B 167 24.282 22.932 151.910 1.00 52.93 MOL2 O ATOM 5118 ND2 ASN B 167 26.198 24.000 151.424 1.00 52.43 MOL2 N ATOM 5119 H ASN B 167 27.186 21.333 152.625 1.00 0.00 MOL2 H ATOM 5120 1HD2 ASN B 167 25.899 24.851 151.802 1.00 0.00 MOL2 H ATOM 5121 2HD2 ASN B 167 27.094 23.873 151.034 1.00 0.00 MOL2 H ATOM 5122 N MET B 168 25.545 18.503 150.013 1.00 57.58 MOL2 N ATOM 5123 CA MET B 168 25.920 17.221 149.430 1.00 57.77 MOL2 C ATOM 5124 C MET B 168 25.526 17.232 147.949 1.00 58.70 MOL2 C ATOM 5125 O MET B 168 24.997 18.208 147.395 1.00 59.23 MOL2 O ATOM 5126 CB MET B 168 25.181 16.082 150.137 1.00 58.01 MOL2 C ATOM 5127 CG MET B 168 23.662 16.284 149.903 1.00 59.78 MOL2 C ATOM 5128 SD MET B 168 22.436 15.124 150.549 1.00 60.98 MOL2 S ATOM 5129 CE MET B 168 23.518 14.035 151.452 1.00 62.88 MOL2 C ATOM 5130 H MET B 168 24.662 18.865 149.778 1.00 0.00 MOL2 H ATOM 5131 N LEU B 169 25.686 16.091 147.279 1.00 59.19 MOL2 N ATOM 5132 CA LEU B 169 25.421 16.016 145.853 1.00 57.60 MOL2 C ATOM 5133 C LEU B 169 23.931 16.078 145.639 1.00 55.64 MOL2 C ATOM 5134 O LEU B 169 23.114 15.315 146.181 1.00 57.31 MOL2 O ATOM 5135 CB LEU B 169 25.992 14.716 145.259 1.00 59.11 MOL2 C ATOM 5136 CG LEU B 169 27.543 14.524 145.312 1.00 61.18 MOL2 C ATOM 5137 CD1 LEU B 169 28.025 13.993 146.703 1.00 60.54 MOL2 C ATOM 5138 CD2 LEU B 169 27.926 13.561 144.174 1.00 60.15 MOL2 C ATOM 5139 H LEU B 169 25.913 15.272 147.764 1.00 0.00 MOL2 H ATOM 5140 N GLY B 170 23.672 17.185 144.975 1.00 51.72 MOL2 N ATOM 5141 CA GLY B 170 22.337 17.491 144.555 1.00 46.28 MOL2 C ATOM 5142 C GLY B 170 21.821 18.693 145.297 1.00 42.86 MOL2 C ATOM 5143 O GLY B 170 20.792 19.231 144.841 1.00 44.37 MOL2 O ATOM 5144 H GLY B 170 24.387 17.804 144.722 1.00 0.00 MOL2 H ATOM 5145 N SER B 171 22.458 19.083 146.424 1.00 37.49 MOL2 N ATOM 5146 CA SER B 171 22.074 20.289 147.147 1.00 32.88 MOL2 C ATOM 5147 C SER B 171 21.904 21.417 146.134 1.00 29.69 MOL2 C ATOM 5148 O SER B 171 22.786 21.571 145.282 1.00 30.14 MOL2 O ATOM 5149 CB SER B 171 23.153 20.634 148.171 1.00 32.40 MOL2 C ATOM 5150 OG SER B 171 22.976 19.984 149.446 1.00 31.88 MOL2 O ATOM 5151 H SER B 171 23.196 18.548 146.771 1.00 0.00 MOL2 H ATOM 5152 HG SER B 171 22.218 20.385 149.903 1.00 0.00 MOL2 H ATOM 5153 N PHE B 172 20.797 22.142 146.121 1.00 26.03 MOL2 N ATOM 5154 CA PHE B 172 20.558 23.115 145.079 1.00 25.63 MOL2 C ATOM 5155 C PHE B 172 19.999 24.408 145.631 1.00 25.20 MOL2 C ATOM 5156 O PHE B 172 19.764 24.431 146.837 1.00 25.64 MOL2 O ATOM 5157 CB PHE B 172 19.582 22.528 144.109 1.00 25.11 MOL2 C ATOM 5158 CG PHE B 172 18.219 22.355 144.749 1.00 25.93 MOL2 C ATOM 5159 CD1 PHE B 172 17.994 21.311 145.657 1.00 24.23 MOL2 C ATOM 5160 CD2 PHE B 172 17.213 23.321 144.476 1.00 26.37 MOL2 C ATOM 5161 CE1 PHE B 172 16.759 21.244 146.300 1.00 24.10 MOL2 C ATOM 5162 CE2 PHE B 172 15.978 23.236 145.130 1.00 24.91 MOL2 C ATOM 5163 CZ PHE B 172 15.757 22.193 146.047 1.00 24.58 MOL2 C ATOM 5164 H PHE B 172 20.130 22.026 146.829 1.00 0.00 MOL2 H ATOM 5165 N MET B 173 19.700 25.450 144.839 1.00 25.54 MOL2 N ATOM 5166 CA MET B 173 19.025 26.629 145.354 1.00 25.58 MOL2 C ATOM 5167 C MET B 173 18.367 27.358 144.223 1.00 26.21 MOL2 C ATOM 5168 O MET B 173 18.904 27.340 143.110 1.00 27.05 MOL2 O ATOM 5169 CB MET B 173 19.970 27.628 146.011 1.00 26.39 MOL2 C ATOM 5170 CG MET B 173 20.783 28.681 145.250 1.00 25.76 MOL2 C ATOM 5171 SD MET B 173 21.525 29.832 146.451 1.00 25.99 MOL2 S ATOM 5172 CE MET B 173 22.795 28.766 147.058 1.00 25.03 MOL2 C ATOM 5173 H MET B 173 19.908 25.428 143.877 1.00 0.00 MOL2 H ATOM 5174 N ILE B 174 17.223 27.975 144.427 1.00 26.80 MOL2 N ATOM 5175 CA ILE B 174 16.687 28.823 143.372 1.00 28.42 MOL2 C ATOM 5176 C ILE B 174 16.907 30.255 143.851 1.00 28.64 MOL2 C ATOM 5177 O ILE B 174 16.861 30.528 145.054 1.00 30.66 MOL2 O ATOM 5178 CB ILE B 174 15.184 28.609 143.127 1.00 28.42 MOL2 C ATOM 5179 CG1 ILE B 174 14.945 27.158 142.725 1.00 28.26 MOL2 C ATOM 5180 CG2 ILE B 174 14.692 29.615 142.089 1.00 27.31 MOL2 C ATOM 5181 CD1 ILE B 174 13.560 26.885 142.139 1.00 25.41 MOL2 C ATOM 5182 H ILE B 174 16.827 28.034 145.311 1.00 0.00 MOL2 H ATOM 5183 N ARG B 175 17.118 31.213 142.977 1.00 26.90 MOL2 N ATOM 5184 CA ARG B 175 17.474 32.534 143.420 1.00 26.53 MOL2 C ATOM 5185 C ARG B 175 17.167 33.495 142.294 1.00 28.22 MOL2 C ATOM 5186 O ARG B 175 16.860 33.084 141.163 1.00 27.37 MOL2 O ATOM 5187 CB ARG B 175 18.976 32.592 143.746 1.00 25.00 MOL2 C ATOM 5188 CG ARG B 175 19.838 32.003 142.641 1.00 19.36 MOL2 C ATOM 5189 CD ARG B 175 21.259 32.473 142.694 1.00 17.27 MOL2 C ATOM 5190 NE ARG B 175 21.876 31.781 141.592 1.00 19.42 MOL2 N ATOM 5191 CZ ARG B 175 22.152 32.387 140.430 1.00 22.02 MOL2 C ATOM 5192 NH1 ARG B 175 21.891 33.692 140.255 1.00 23.35 MOL2 N ATOM 5193 NH2 ARG B 175 22.551 31.671 139.370 1.00 20.42 MOL2 N ATOM 5194 H ARG B 175 17.037 31.042 142.016 1.00 0.00 MOL2 H ATOM 5195 HE ARG B 175 22.076 30.830 141.687 1.00 0.00 MOL2 H ATOM 5196 1HH1 ARG B 175 21.524 34.240 141.008 1.00 0.00 MOL2 H ATOM 5197 2HH1 ARG B 175 22.145 34.136 139.397 1.00 0.00 MOL2 H ATOM 5198 1HH2 ARG B 175 22.631 30.678 139.432 1.00 0.00 MOL2 H ATOM 5199 2HH2 ARG B 175 22.757 32.136 138.509 1.00 0.00 MOL2 H ATOM 5200 N ASP B 176 17.274 34.774 142.606 1.00 28.56 MOL2 N ATOM 5201 CA ASP B 176 17.131 35.787 141.609 1.00 32.15 MOL2 C ATOM 5202 C ASP B 176 18.201 35.674 140.514 1.00 34.64 MOL2 C ATOM 5203 O ASP B 176 19.377 35.466 140.877 1.00 35.06 MOL2 O ATOM 5204 CB ASP B 176 17.260 37.134 142.264 1.00 35.63 MOL2 C ATOM 5205 CG ASP B 176 16.156 37.506 143.246 1.00 40.46 MOL2 C ATOM 5206 OD1 ASP B 176 15.086 36.889 143.204 1.00 44.83 MOL2 O ATOM 5207 OD2 ASP B 176 16.355 38.425 144.055 1.00 41.40 MOL2 O ATOM 5208 H ASP B 176 17.507 35.023 143.526 1.00 0.00 MOL2 H ATOM 5209 N SER B 177 17.865 35.796 139.193 1.00 35.16 MOL2 N ATOM 5210 CA SER B 177 18.877 35.899 138.125 1.00 35.27 MOL2 C ATOM 5211 C SER B 177 19.557 37.253 138.235 1.00 34.51 MOL2 C ATOM 5212 O SER B 177 18.896 38.294 138.175 1.00 32.99 MOL2 O ATOM 5213 CB SER B 177 18.299 35.835 136.707 1.00 34.83 MOL2 C ATOM 5214 OG SER B 177 17.735 34.559 136.386 1.00 39.97 MOL2 O ATOM 5215 H SER B 177 16.930 35.902 138.926 1.00 0.00 MOL2 H ATOM 5216 HG SER B 177 17.727 34.450 135.427 1.00 0.00 MOL2 H ATOM 5217 N GLU B 178 20.862 37.301 138.505 1.00 35.49 MOL2 N ATOM 5218 CA GLU B 178 21.524 38.583 138.537 1.00 37.36 MOL2 C ATOM 5219 C GLU B 178 21.650 39.298 137.178 1.00 38.35 MOL2 C ATOM 5220 O GLU B 178 21.776 40.530 137.143 1.00 39.21 MOL2 O ATOM 5221 CB GLU B 178 22.907 38.414 139.179 1.00 37.53 MOL2 C ATOM 5222 CG GLU B 178 24.070 37.692 138.507 1.00 40.85 MOL2 C ATOM 5223 CD GLU B 178 25.446 37.911 139.181 1.00 44.17 MOL2 C ATOM 5224 OE1 GLU B 178 25.618 38.843 139.977 1.00 46.29 MOL2 O ATOM 5225 OE2 GLU B 178 26.378 37.144 138.913 1.00 47.05 MOL2 O ATOM 5226 H GLU B 178 21.295 36.510 138.884 1.00 0.00 MOL2 H ATOM 5227 N THR B 179 21.613 38.583 136.034 1.00 37.66 MOL2 N ATOM 5228 CA THR B 179 21.840 39.177 134.729 1.00 33.99 MOL2 C ATOM 5229 C THR B 179 20.555 39.545 134.022 1.00 34.76 MOL2 C ATOM 5230 O THR B 179 20.451 40.631 133.445 1.00 34.99 MOL2 O ATOM 5231 CB THR B 179 22.698 38.152 133.978 1.00 32.47 MOL2 C ATOM 5232 OG1 THR B 179 22.079 36.868 134.002 1.00 25.24 MOL2 O ATOM 5233 CG2 THR B 179 24.070 38.105 134.618 1.00 29.48 MOL2 C ATOM 5234 H THR B 179 21.450 37.620 136.035 1.00 0.00 MOL2 H ATOM 5235 HG1 THR B 179 22.572 36.292 133.405 1.00 0.00 MOL2 H ATOM 5236 N THR B 180 19.606 38.602 133.978 1.00 35.88 MOL2 N ATOM 5237 CA THR B 180 18.245 38.920 133.562 1.00 37.40 MOL2 C ATOM 5238 C THR B 180 17.411 39.160 134.829 1.00 36.21 MOL2 C ATOM 5239 O THR B 180 16.967 38.235 135.519 1.00 34.39 MOL2 O ATOM 5240 CB THR B 180 17.635 37.765 132.692 1.00 38.97 MOL2 C ATOM 5241 OG1 THR B 180 18.021 36.540 133.308 1.00 40.24 MOL2 O ATOM 5242 CG2 THR B 180 18.059 37.836 131.208 1.00 43.24 MOL2 C ATOM 5243 H THR B 180 19.828 37.665 134.171 1.00 0.00 MOL2 H ATOM 5244 HG1 THR B 180 17.443 36.450 134.078 1.00 0.00 MOL2 H ATOM 5245 N LYS B 181 17.233 40.434 135.169 1.00 37.16 MOL2 N ATOM 5246 CA LYS B 181 16.458 40.848 136.346 1.00 40.07 MOL2 C ATOM 5247 C LYS B 181 14.949 40.538 136.340 1.00 39.63 MOL2 C ATOM 5248 O LYS B 181 14.389 40.225 135.286 1.00 40.63 MOL2 O ATOM 5249 CB LYS B 181 16.690 42.344 136.548 1.00 42.70 MOL2 C ATOM 5250 CG LYS B 181 18.190 42.703 136.735 1.00 48.28 MOL2 C ATOM 5251 CD LYS B 181 19.011 41.933 137.821 1.00 50.78 MOL2 C ATOM 5252 CE LYS B 181 18.701 42.193 139.309 1.00 52.12 MOL2 C ATOM 5253 NZ LYS B 181 19.412 41.236 140.143 1.00 53.97 MOL2 N ATOM 5254 H LYS B 181 17.656 41.118 134.611 1.00 0.00 MOL2 H ATOM 5255 1HZ LYS B 181 19.195 40.279 139.800 1.00 0.00 MOL2 H ATOM 5256 2HZ LYS B 181 20.434 41.406 140.051 1.00 0.00 MOL2 H ATOM 5257 3HZ LYS B 181 19.130 41.325 141.139 1.00 0.00 MOL2 H ATOM 5258 N GLY B 182 14.198 40.552 137.442 1.00 38.37 MOL2 N ATOM 5259 CA GLY B 182 12.800 40.111 137.387 1.00 37.06 MOL2 C ATOM 5260 C GLY B 182 12.646 38.594 137.089 1.00 36.52 MOL2 C ATOM 5261 O GLY B 182 11.541 38.065 137.168 1.00 35.48 MOL2 O ATOM 5262 H GLY B 182 14.606 40.815 138.291 1.00 0.00 MOL2 H ATOM 5263 N SER B 183 13.670 37.793 136.808 1.00 36.43 MOL2 N ATOM 5264 CA SER B 183 13.473 36.392 136.460 1.00 37.51 MOL2 C ATOM 5265 C SER B 183 14.325 35.536 137.413 1.00 37.53 MOL2 C ATOM 5266 O SER B 183 15.054 36.132 138.220 1.00 38.21 MOL2 O ATOM 5267 CB SER B 183 13.878 36.256 134.989 1.00 38.59 MOL2 C ATOM 5268 OG SER B 183 13.503 37.380 134.163 1.00 38.64 MOL2 O ATOM 5269 H SER B 183 14.593 38.098 136.883 1.00 0.00 MOL2 H ATOM 5270 HG SER B 183 13.725 38.215 134.597 1.00 0.00 MOL2 H ATOM 5271 N TYR B 184 14.335 34.186 137.411 1.00 36.29 MOL2 N ATOM 5272 CA TYR B 184 15.033 33.352 138.407 1.00 34.06 MOL2 C ATOM 5273 C TYR B 184 16.109 32.316 137.920 1.00 30.25 MOL2 C ATOM 5274 O TYR B 184 16.102 31.890 136.769 1.00 29.60 MOL2 O ATOM 5275 CB TYR B 184 13.839 32.718 139.226 1.00 36.65 MOL2 C ATOM 5276 CG TYR B 184 12.970 33.770 139.960 1.00 40.02 MOL2 C ATOM 5277 CD1 TYR B 184 13.581 34.915 140.496 1.00 44.41 MOL2 C ATOM 5278 CD2 TYR B 184 11.571 33.676 140.072 1.00 42.82 MOL2 C ATOM 5279 CE1 TYR B 184 12.840 35.944 141.117 1.00 48.32 MOL2 C ATOM 5280 CE2 TYR B 184 10.806 34.700 140.704 1.00 46.02 MOL2 C ATOM 5281 CZ TYR B 184 11.437 35.868 141.226 1.00 48.53 MOL2 C ATOM 5282 OH TYR B 184 10.745 36.973 141.785 1.00 47.13 MOL2 O ATOM 5283 H TYR B 184 13.938 33.702 136.657 1.00 0.00 MOL2 H ATOM 5284 HH TYR B 184 11.328 37.735 141.795 1.00 0.00 MOL2 H ATOM 5285 N SER B 185 17.147 31.907 138.634 1.00 25.71 MOL2 N ATOM 5286 CA SER B 185 18.034 30.848 138.171 1.00 23.16 MOL2 C ATOM 5287 C SER B 185 18.076 29.741 139.218 1.00 23.15 MOL2 C ATOM 5288 O SER B 185 17.593 29.863 140.356 1.00 23.60 MOL2 O ATOM 5289 CB SER B 185 19.456 31.331 137.965 1.00 20.48 MOL2 C ATOM 5290 OG SER B 185 19.504 32.293 136.936 1.00 17.78 MOL2 O ATOM 5291 H SER B 185 17.309 32.315 139.506 1.00 0.00 MOL2 H ATOM 5292 HG SER B 185 18.755 32.909 137.013 1.00 0.00 MOL2 H ATOM 5293 N LEU B 186 18.656 28.623 138.859 1.00 21.72 MOL2 N ATOM 5294 CA LEU B 186 18.735 27.502 139.760 1.00 22.06 MOL2 C ATOM 5295 C LEU B 186 20.211 27.164 139.818 1.00 22.47 MOL2 C ATOM 5296 O LEU B 186 20.837 27.011 138.762 1.00 23.92 MOL2 O ATOM 5297 CB LEU B 186 17.939 26.266 139.220 1.00 20.81 MOL2 C ATOM 5298 CG LEU B 186 18.329 24.938 139.864 1.00 19.21 MOL2 C ATOM 5299 CD1 LEU B 186 17.649 24.937 141.194 1.00 22.62 MOL2 C ATOM 5300 CD2 LEU B 186 17.845 23.706 139.165 1.00 19.55 MOL2 C ATOM 5301 H LEU B 186 19.077 28.540 137.980 1.00 0.00 MOL2 H ATOM 5302 N SER B 187 20.811 27.029 140.974 1.00 20.85 MOL2 N ATOM 5303 CA SER B 187 22.184 26.605 141.004 1.00 20.81 MOL2 C ATOM 5304 C SER B 187 22.152 25.165 141.461 1.00 24.36 MOL2 C ATOM 5305 O SER B 187 21.182 24.900 142.189 1.00 26.62 MOL2 O ATOM 5306 CB SER B 187 22.843 27.532 141.933 1.00 15.50 MOL2 C ATOM 5307 OG SER B 187 22.655 28.802 141.337 1.00 10.00 MOL2 O ATOM 5308 H SER B 187 20.286 27.042 141.800 1.00 0.00 MOL2 H ATOM 5309 HG SER B 187 22.149 29.323 141.971 1.00 0.00 MOL2 H ATOM 5310 N VAL B 188 23.028 24.203 141.086 1.00 27.37 MOL2 N ATOM 5311 CA VAL B 188 22.966 22.831 141.626 1.00 31.99 MOL2 C ATOM 5312 C VAL B 188 24.377 22.327 141.859 1.00 35.39 MOL2 C ATOM 5313 O VAL B 188 25.213 22.698 141.038 1.00 35.13 MOL2 O ATOM 5314 CB VAL B 188 22.379 21.711 140.727 1.00 30.77 MOL2 C ATOM 5315 CG1 VAL B 188 21.761 20.744 141.711 1.00 32.79 MOL2 C ATOM 5316 CG2 VAL B 188 21.302 22.090 139.768 1.00 31.54 MOL2 C ATOM 5317 H VAL B 188 23.744 24.385 140.445 1.00 0.00 MOL2 H ATOM 5318 N ARG B 189 24.687 21.543 142.908 1.00 40.67 MOL2 N ATOM 5319 CA ARG B 189 26.031 21.035 143.146 1.00 47.68 MOL2 C ATOM 5320 C ARG B 189 26.215 19.726 142.375 1.00 54.28 MOL2 C ATOM 5321 O ARG B 189 25.240 18.977 142.305 1.00 54.82 MOL2 O ATOM 5322 CB ARG B 189 26.286 20.765 144.639 1.00 45.63 MOL2 C ATOM 5323 CG ARG B 189 27.783 20.475 144.808 1.00 44.41 MOL2 C ATOM 5324 CD ARG B 189 28.206 19.675 145.993 1.00 42.09 MOL2 C ATOM 5325 NE ARG B 189 28.382 20.546 147.118 1.00 43.95 MOL2 N ATOM 5326 CZ ARG B 189 28.782 20.053 148.277 1.00 46.92 MOL2 C ATOM 5327 NH1 ARG B 189 29.028 18.755 148.410 1.00 48.58 MOL2 N ATOM 5328 NH2 ARG B 189 28.949 20.851 149.327 1.00 48.37 MOL2 N ATOM 5329 H ARG B 189 23.983 21.280 143.537 1.00 0.00 MOL2 H ATOM 5330 HE ARG B 189 28.259 21.513 147.006 1.00 0.00 MOL2 H ATOM 5331 1HH1 ARG B 189 28.930 18.132 147.636 1.00 0.00 MOL2 H ATOM 5332 2HH1 ARG B 189 29.314 18.395 149.299 1.00 0.00 MOL2 H ATOM 5333 1HH2 ARG B 189 28.786 21.835 149.244 1.00 0.00 MOL2 H ATOM 5334 2HH2 ARG B 189 29.236 20.465 150.204 1.00 0.00 MOL2 H ATOM 5335 N ASP B 190 27.431 19.403 141.860 1.00 62.48 MOL2 N ATOM 5336 CA ASP B 190 27.777 18.261 140.990 1.00 69.16 MOL2 C ATOM 5337 C ASP B 190 29.274 17.883 141.109 1.00 73.65 MOL2 C ATOM 5338 O ASP B 190 29.989 18.500 141.905 1.00 73.75 MOL2 O ATOM 5339 CB ASP B 190 27.390 18.716 139.573 1.00 70.30 MOL2 C ATOM 5340 CG ASP B 190 27.982 17.975 138.390 1.00 72.72 MOL2 C ATOM 5341 OD1 ASP B 190 27.409 16.961 137.988 1.00 76.43 MOL2 O ATOM 5342 OD2 ASP B 190 29.027 18.404 137.896 1.00 71.87 MOL2 O ATOM 5343 H ASP B 190 28.165 20.029 142.066 1.00 0.00 MOL2 H ATOM 5344 N TYR B 191 29.782 16.879 140.375 1.00 78.55 MOL2 N ATOM 5345 CA TYR B 191 31.192 16.496 140.277 1.00 84.41 MOL2 C ATOM 5346 C TYR B 191 31.284 15.900 138.868 1.00 88.03 MOL2 C ATOM 5347 O TYR B 191 30.443 15.080 138.468 1.00 88.52 MOL2 O ATOM 5348 CB TYR B 191 31.602 15.403 141.311 1.00 86.05 MOL2 C ATOM 5349 CG TYR B 191 33.093 15.039 141.392 1.00 88.40 MOL2 C ATOM 5350 CD1 TYR B 191 33.785 14.551 140.276 1.00 89.44 MOL2 C ATOM 5351 CD2 TYR B 191 33.805 15.226 142.584 1.00 89.73 MOL2 C ATOM 5352 CE1 TYR B 191 35.154 14.260 140.334 1.00 91.03 MOL2 C ATOM 5353 CE2 TYR B 191 35.188 14.932 142.649 1.00 91.09 MOL2 C ATOM 5354 CZ TYR B 191 35.876 14.453 141.517 1.00 91.09 MOL2 C ATOM 5355 OH TYR B 191 37.253 14.191 141.538 1.00 88.55 MOL2 O ATOM 5356 H TYR B 191 29.159 16.343 139.840 1.00 0.00 MOL2 H ATOM 5357 HH TYR B 191 37.552 14.100 140.627 1.00 0.00 MOL2 H ATOM 5358 N ASP B 192 32.303 16.317 138.105 1.00 91.98 MOL2 N ATOM 5359 CA ASP B 192 32.571 15.834 136.745 1.00 94.32 MOL2 C ATOM 5360 C ASP B 192 34.101 15.743 136.586 1.00 95.50 MOL2 C ATOM 5361 O ASP B 192 34.794 16.770 136.624 1.00 95.56 MOL2 O ATOM 5362 CB ASP B 192 32.015 16.813 135.677 1.00 94.01 MOL2 C ATOM 5363 H ASP B 192 32.936 16.968 138.484 1.00 0.00 MOL2 H ATOM 5364 N PRO B 193 34.655 14.538 136.314 1.00 96.43 MOL2 N ATOM 5365 CA PRO B 193 35.908 13.978 136.871 1.00 96.20 MOL2 C ATOM 5366 C PRO B 193 37.223 14.772 136.887 1.00 95.65 MOL2 C ATOM 5367 O PRO B 193 38.088 14.577 137.754 1.00 95.08 MOL2 O ATOM 5368 CB PRO B 193 36.086 12.662 136.132 1.00 96.07 MOL2 C ATOM 5369 CG PRO B 193 34.689 12.308 135.705 1.00 96.82 MOL2 C ATOM 5370 CD PRO B 193 34.156 13.659 135.260 1.00 96.91 MOL2 C ATOM 5371 N ARG B 194 37.356 15.635 135.870 1.00 94.28 MOL2 N ATOM 5372 CA ARG B 194 38.512 16.490 135.703 1.00 92.11 MOL2 C ATOM 5373 C ARG B 194 38.517 17.617 136.746 1.00 90.92 MOL2 C ATOM 5374 O ARG B 194 39.573 18.203 136.997 1.00 92.21 MOL2 O ATOM 5375 CB ARG B 194 38.491 17.066 134.278 1.00 90.92 MOL2 C ATOM 5376 H ARG B 194 36.594 15.767 135.274 1.00 0.00 MOL2 H ATOM 5377 N GLN B 195 37.396 17.960 137.393 1.00 88.16 MOL2 N ATOM 5378 CA GLN B 195 37.353 19.011 138.401 1.00 85.19 MOL2 C ATOM 5379 C GLN B 195 36.687 18.489 139.685 1.00 83.17 MOL2 C ATOM 5380 O GLN B 195 35.969 17.488 139.576 1.00 83.43 MOL2 O ATOM 5381 CB GLN B 195 36.567 20.192 137.826 1.00 85.86 MOL2 C ATOM 5382 H GLN B 195 36.568 17.453 137.262 1.00 0.00 MOL2 H ATOM 5383 N GLY B 196 36.884 19.137 140.867 1.00 80.15 MOL2 N ATOM 5384 CA GLY B 196 36.353 18.737 142.186 1.00 76.72 MOL2 C ATOM 5385 C GLY B 196 34.824 18.777 142.325 1.00 75.14 MOL2 C ATOM 5386 O GLY B 196 34.119 18.216 141.482 1.00 75.59 MOL2 O ATOM 5387 H GLY B 196 37.403 19.961 140.814 1.00 0.00 MOL2 H ATOM 5388 N ASP B 197 34.200 19.336 143.372 1.00 73.15 MOL2 N ATOM 5389 CA ASP B 197 32.729 19.487 143.355 1.00 71.55 MOL2 C ATOM 5390 C ASP B 197 32.452 20.741 142.501 1.00 68.58 MOL2 C ATOM 5391 O ASP B 197 33.290 21.666 142.488 1.00 69.38 MOL2 O ATOM 5392 CB ASP B 197 32.097 19.739 144.745 1.00 75.45 MOL2 C ATOM 5393 CG ASP B 197 32.093 18.640 145.814 1.00 77.41 MOL2 C ATOM 5394 OD1 ASP B 197 33.139 18.463 146.452 1.00 78.26 MOL2 O ATOM 5395 OD2 ASP B 197 31.039 18.014 146.029 1.00 77.71 MOL2 O ATOM 5396 H ASP B 197 34.713 19.765 144.081 1.00 0.00 MOL2 H ATOM 5397 N THR B 198 31.330 20.872 141.795 1.00 63.20 MOL2 N ATOM 5398 CA THR B 198 31.129 21.968 140.851 1.00 58.93 MOL2 C ATOM 5399 C THR B 198 29.795 22.585 141.144 1.00 54.54 MOL2 C ATOM 5400 O THR B 198 28.999 21.861 141.739 1.00 55.24 MOL2 O ATOM 5401 CB THR B 198 31.120 21.459 139.368 1.00 60.61 MOL2 C ATOM 5402 OG1 THR B 198 30.598 20.128 139.332 1.00 61.58 MOL2 O ATOM 5403 CG2 THR B 198 32.498 21.475 138.762 1.00 61.10 MOL2 C ATOM 5404 H THR B 198 30.557 20.304 141.985 1.00 0.00 MOL2 H ATOM 5405 HG1 THR B 198 31.174 19.587 139.888 1.00 0.00 MOL2 H ATOM 5406 N VAL B 199 29.467 23.842 140.851 1.00 48.52 MOL2 N ATOM 5407 CA VAL B 199 28.064 24.205 140.977 1.00 42.47 MOL2 C ATOM 5408 C VAL B 199 27.656 24.593 139.576 1.00 39.76 MOL2 C ATOM 5409 O VAL B 199 28.360 25.386 138.958 1.00 40.18 MOL2 O ATOM 5410 CB VAL B 199 27.904 25.359 141.972 1.00 40.85 MOL2 C ATOM 5411 CG1 VAL B 199 26.555 26.035 141.882 1.00 40.13 MOL2 C ATOM 5412 CG2 VAL B 199 27.971 24.768 143.358 1.00 38.70 MOL2 C ATOM 5413 H VAL B 199 30.093 24.491 140.470 1.00 0.00 MOL2 H ATOM 5414 N LYS B 200 26.591 24.066 139.005 1.00 37.33 MOL2 N ATOM 5415 CA LYS B 200 26.185 24.447 137.668 1.00 36.17 MOL2 C ATOM 5416 C LYS B 200 24.881 25.198 137.745 1.00 33.53 MOL2 C ATOM 5417 O LYS B 200 24.089 24.970 138.661 1.00 31.64 MOL2 O ATOM 5418 CB LYS B 200 26.041 23.213 136.798 1.00 37.98 MOL2 C ATOM 5419 CG LYS B 200 27.429 22.769 136.321 1.00 39.72 MOL2 C ATOM 5420 CD LYS B 200 27.278 21.409 135.685 1.00 42.25 MOL2 C ATOM 5421 CE LYS B 200 28.628 20.874 135.269 1.00 47.06 MOL2 C ATOM 5422 NZ LYS B 200 28.491 19.527 134.713 1.00 52.71 MOL2 N ATOM 5423 H LYS B 200 26.043 23.418 139.494 1.00 0.00 MOL2 H ATOM 5424 1HZ LYS B 200 27.859 19.553 133.889 1.00 0.00 MOL2 H ATOM 5425 2HZ LYS B 200 29.428 19.190 134.416 1.00 0.00 MOL2 H ATOM 5426 3HZ LYS B 200 28.106 18.881 135.429 1.00 0.00 MOL2 H ATOM 5427 N HIS B 201 24.700 26.141 136.827 1.00 31.84 MOL2 N ATOM 5428 CA HIS B 201 23.580 27.046 136.913 1.00 31.62 MOL2 C ATOM 5429 C HIS B 201 22.618 26.901 135.766 1.00 32.50 MOL2 C ATOM 5430 O HIS B 201 23.017 26.852 134.602 1.00 33.58 MOL2 O ATOM 5431 CB HIS B 201 24.065 28.487 136.936 1.00 30.88 MOL2 C ATOM 5432 CG HIS B 201 24.978 28.770 138.094 1.00 29.72 MOL2 C ATOM 5433 ND1 HIS B 201 24.678 28.869 139.378 1.00 30.52 MOL2 N ATOM 5434 CD2 HIS B 201 26.331 28.917 137.973 1.00 32.22 MOL2 C ATOM 5435 CE1 HIS B 201 25.795 29.040 140.047 1.00 31.08 MOL2 C ATOM 5436 NE2 HIS B 201 26.785 29.068 139.194 1.00 33.21 MOL2 N ATOM 5437 H HIS B 201 25.284 26.183 136.040 1.00 0.00 MOL2 H ATOM 5438 HD1 HIS B 201 23.775 28.836 139.774 1.00 0.00 MOL2 H ATOM 5439 HE2 HIS B 201 27.732 29.217 139.416 1.00 0.00 MOL2 H ATOM 5440 N TYR B 202 21.342 26.870 136.042 1.00 32.82 MOL2 N ATOM 5441 CA TYR B 202 20.381 26.731 134.989 1.00 33.63 MOL2 C ATOM 5442 C TYR B 202 19.649 28.012 135.017 1.00 32.70 MOL2 C ATOM 5443 O TYR B 202 19.450 28.620 136.066 1.00 32.06 MOL2 O ATOM 5444 CB TYR B 202 19.467 25.567 135.274 1.00 36.16 MOL2 C ATOM 5445 CG TYR B 202 20.248 24.307 134.963 1.00 38.10 MOL2 C ATOM 5446 CD1 TYR B 202 20.239 23.814 133.661 1.00 39.79 MOL2 C ATOM 5447 CD2 TYR B 202 21.017 23.687 135.946 1.00 38.32 MOL2 C ATOM 5448 CE1 TYR B 202 21.013 22.694 133.339 1.00 42.21 MOL2 C ATOM 5449 CE2 TYR B 202 21.797 22.568 135.625 1.00 41.23 MOL2 C ATOM 5450 CZ TYR B 202 21.797 22.069 134.317 1.00 42.33 MOL2 C ATOM 5451 OH TYR B 202 22.587 20.968 133.982 1.00 43.72 MOL2 O ATOM 5452 H TYR B 202 21.004 27.081 136.932 1.00 0.00 MOL2 H ATOM 5453 HH TYR B 202 22.943 21.101 133.091 1.00 0.00 MOL2 H ATOM 5454 N LYS B 203 19.303 28.394 133.820 1.00 33.78 MOL2 N ATOM 5455 CA LYS B 203 18.627 29.653 133.627 1.00 35.18 MOL2 C ATOM 5456 C LYS B 203 17.162 29.300 133.670 1.00 37.79 MOL2 C ATOM 5457 O LYS B 203 16.826 28.294 133.049 1.00 39.42 MOL2 O ATOM 5458 CB LYS B 203 18.988 30.193 132.289 1.00 32.60 MOL2 C ATOM 5459 CG LYS B 203 18.607 31.616 132.309 1.00 30.43 MOL2 C ATOM 5460 CD LYS B 203 19.855 32.414 132.552 1.00 28.87 MOL2 C ATOM 5461 CE LYS B 203 19.415 33.858 132.785 1.00 29.55 MOL2 C ATOM 5462 NZ LYS B 203 20.533 34.796 132.715 1.00 30.56 MOL2 N ATOM 5463 H LYS B 203 19.345 27.764 133.073 1.00 0.00 MOL2 H ATOM 5464 1HZ LYS B 203 21.003 34.709 131.788 1.00 0.00 MOL2 H ATOM 5465 2HZ LYS B 203 20.187 35.770 132.837 1.00 0.00 MOL2 H ATOM 5466 3HZ LYS B 203 21.212 34.575 133.473 1.00 0.00 MOL2 H ATOM 5467 N ILE B 204 16.296 30.016 134.383 1.00 39.81 MOL2 N ATOM 5468 CA ILE B 204 14.884 29.681 134.439 1.00 40.04 MOL2 C ATOM 5469 C ILE B 204 14.160 30.815 133.731 1.00 42.64 MOL2 C ATOM 5470 O ILE B 204 14.215 31.953 134.181 1.00 42.82 MOL2 O ATOM 5471 CB ILE B 204 14.468 29.547 135.916 1.00 37.00 MOL2 C ATOM 5472 CG1 ILE B 204 15.265 28.463 136.611 1.00 34.52 MOL2 C ATOM 5473 CG2 ILE B 204 12.981 29.276 135.957 1.00 36.54 MOL2 C ATOM 5474 CD1 ILE B 204 15.025 28.499 138.102 1.00 36.89 MOL2 C ATOM 5475 H ILE B 204 16.586 30.806 134.890 1.00 0.00 MOL2 H ATOM 5476 N ARG B 205 13.467 30.569 132.630 1.00 46.33 MOL2 N ATOM 5477 CA ARG B 205 12.830 31.624 131.875 1.00 51.05 MOL2 C ATOM 5478 C ARG B 205 11.337 31.773 132.221 1.00 57.49 MOL2 C ATOM 5479 O ARG B 205 10.671 30.750 132.453 1.00 57.05 MOL2 O ATOM 5480 CB ARG B 205 13.072 31.275 130.422 1.00 47.83 MOL2 C ATOM 5481 CG ARG B 205 14.036 32.164 129.668 1.00 45.58 MOL2 C ATOM 5482 CD ARG B 205 15.542 32.039 129.945 1.00 44.97 MOL2 C ATOM 5483 NE ARG B 205 16.136 30.822 129.406 1.00 44.07 MOL2 N ATOM 5484 CZ ARG B 205 17.370 30.792 128.877 1.00 43.39 MOL2 C ATOM 5485 NH1 ARG B 205 18.129 31.879 128.790 1.00 39.64 MOL2 N ATOM 5486 NH2 ARG B 205 17.922 29.617 128.538 1.00 44.52 MOL2 N ATOM 5487 H ARG B 205 13.319 29.643 132.359 1.00 0.00 MOL2 H ATOM 5488 HE ARG B 205 15.611 29.994 129.438 1.00 0.00 MOL2 H ATOM 5489 1HH1 ARG B 205 17.789 32.762 129.114 1.00 0.00 MOL2 H ATOM 5490 2HH1 ARG B 205 19.037 31.816 128.372 1.00 0.00 MOL2 H ATOM 5491 1HH2 ARG B 205 17.415 28.767 128.683 1.00 0.00 MOL2 H ATOM 5492 2HH2 ARG B 205 18.836 29.594 128.135 1.00 0.00 MOL2 H ATOM 5493 N THR B 206 10.814 33.027 132.241 1.00 64.92 MOL2 N ATOM 5494 CA THR B 206 9.439 33.466 132.628 1.00 71.89 MOL2 C ATOM 5495 C THR B 206 8.540 34.133 131.535 1.00 77.40 MOL2 C ATOM 5496 O THR B 206 8.859 35.297 131.225 1.00 78.69 MOL2 O ATOM 5497 CB THR B 206 9.597 34.468 133.849 1.00 71.92 MOL2 C ATOM 5498 OG1 THR B 206 10.748 35.240 133.485 1.00 72.45 MOL2 O ATOM 5499 CG2 THR B 206 9.799 33.874 135.247 1.00 71.64 MOL2 C ATOM 5500 H THR B 206 11.437 33.761 132.062 1.00 0.00 MOL2 H ATOM 5501 HG1 THR B 206 10.459 35.890 132.826 1.00 0.00 MOL2 H ATOM 5502 N LEU B 207 7.461 33.633 130.874 1.00 83.23 MOL2 N ATOM 5503 CA LEU B 207 6.684 34.447 129.880 1.00 88.87 MOL2 C ATOM 5504 C LEU B 207 5.377 35.012 130.494 1.00 91.61 MOL2 C ATOM 5505 O LEU B 207 5.043 34.650 131.636 1.00 93.44 MOL2 O ATOM 5506 CB LEU B 207 6.353 33.572 128.594 1.00 89.60 MOL2 C ATOM 5507 CG LEU B 207 5.683 34.007 127.221 1.00 89.40 MOL2 C ATOM 5508 CD1 LEU B 207 4.159 33.902 127.307 1.00 88.18 MOL2 C ATOM 5509 CD2 LEU B 207 6.152 35.408 126.828 1.00 88.98 MOL2 C ATOM 5510 H LEU B 207 7.130 32.754 131.160 1.00 0.00 MOL2 H ATOM 5511 N ASP B 208 4.539 35.838 129.820 1.00 93.48 MOL2 N ATOM 5512 CA ASP B 208 3.288 36.351 130.402 1.00 94.66 MOL2 C ATOM 5513 C ASP B 208 2.206 35.327 130.839 1.00 94.47 MOL2 C ATOM 5514 O ASP B 208 1.163 35.688 131.383 1.00 94.10 MOL2 O ATOM 5515 CB ASP B 208 2.716 37.355 129.395 1.00 95.80 MOL2 C ATOM 5516 CG ASP B 208 1.597 38.210 129.977 1.00 96.96 MOL2 C ATOM 5517 OD1 ASP B 208 1.884 39.100 130.785 1.00 96.20 MOL2 O ATOM 5518 OD2 ASP B 208 0.440 37.952 129.628 1.00 98.04 MOL2 O ATOM 5519 H ASP B 208 4.806 36.160 128.938 1.00 0.00 MOL2 H ATOM 5520 N ASN B 209 2.403 34.013 130.664 1.00 94.15 MOL2 N ATOM 5521 CA ASN B 209 1.480 32.980 131.129 1.00 93.76 MOL2 C ATOM 5522 C ASN B 209 1.500 32.820 132.640 1.00 94.32 MOL2 C ATOM 5523 O ASN B 209 0.695 32.067 133.200 1.00 95.08 MOL2 O ATOM 5524 CB ASN B 209 1.850 31.638 130.547 1.00 92.60 MOL2 C ATOM 5525 H ASN B 209 3.223 33.729 130.219 1.00 0.00 MOL2 H ATOM 5526 N GLY B 210 2.462 33.530 133.265 1.00 94.36 MOL2 N ATOM 5527 CA GLY B 210 2.751 33.446 134.688 1.00 93.76 MOL2 C ATOM 5528 C GLY B 210 3.398 32.095 134.926 1.00 93.16 MOL2 C ATOM 5529 O GLY B 210 3.261 31.477 135.988 1.00 93.24 MOL2 O ATOM 5530 H GLY B 210 3.041 34.118 132.742 1.00 0.00 MOL2 H ATOM 5531 N GLY B 211 4.098 31.694 133.859 1.00 92.11 MOL2 N ATOM 5532 CA GLY B 211 4.724 30.403 133.745 1.00 92.19 MOL2 C ATOM 5533 C GLY B 211 6.220 30.567 133.547 1.00 92.26 MOL2 C ATOM 5534 O GLY B 211 6.687 31.485 132.858 1.00 92.22 MOL2 O ATOM 5535 H GLY B 211 4.271 32.338 133.145 1.00 0.00 MOL2 H ATOM 5536 N PHE B 212 6.962 29.635 134.134 1.00 92.14 MOL2 N ATOM 5537 CA PHE B 212 8.423 29.603 134.162 1.00 91.42 MOL2 C ATOM 5538 C PHE B 212 8.879 28.212 133.749 1.00 89.55 MOL2 C ATOM 5539 O PHE B 212 8.196 27.216 134.044 1.00 89.19 MOL2 O ATOM 5540 CB PHE B 212 8.983 29.877 135.577 1.00 94.20 MOL2 C ATOM 5541 CG PHE B 212 7.952 30.256 136.652 1.00 97.13 MOL2 C ATOM 5542 CD1 PHE B 212 7.086 29.290 137.203 1.00 98.37 MOL2 C ATOM 5543 CD2 PHE B 212 7.846 31.589 137.066 1.00 98.29 MOL2 C ATOM 5544 CE1 PHE B 212 6.126 29.666 138.146 1.00 98.92 MOL2 C ATOM 5545 CE2 PHE B 212 6.879 31.952 138.012 1.00 99.51 MOL2 C ATOM 5546 CZ PHE B 212 6.014 30.992 138.554 1.00100.00 MOL2 C ATOM 5547 H PHE B 212 6.473 28.890 134.550 1.00 0.00 MOL2 H ATOM 5548 N TYR B 213 10.026 28.085 133.087 1.00 87.66 MOL2 N ATOM 5549 CA TYR B 213 10.511 26.781 132.655 1.00 85.77 MOL2 C ATOM 5550 C TYR B 213 12.010 26.840 132.432 1.00 83.82 MOL2 C ATOM 5551 O TYR B 213 12.562 27.931 132.247 1.00 81.77 MOL2 O ATOM 5552 CB TYR B 213 9.816 26.373 131.344 1.00 86.26 MOL2 C ATOM 5553 CG TYR B 213 10.189 27.251 130.156 1.00 85.50 MOL2 C ATOM 5554 CD1 TYR B 213 9.672 28.535 129.966 1.00 84.64 MOL2 C ATOM 5555 CD2 TYR B 213 11.124 26.739 129.268 1.00 86.12 MOL2 C ATOM 5556 CE1 TYR B 213 10.112 29.300 128.886 1.00 85.47 MOL2 C ATOM 5557 CE2 TYR B 213 11.568 27.495 128.196 1.00 86.64 MOL2 C ATOM 5558 CZ TYR B 213 11.064 28.771 128.007 1.00 86.45 MOL2 C ATOM 5559 OH TYR B 213 11.544 29.499 126.930 1.00 87.68 MOL2 O ATOM 5560 H TYR B 213 10.564 28.881 132.878 1.00 0.00 MOL2 H ATOM 5561 HH TYR B 213 12.345 29.075 126.592 1.00 0.00 MOL2 H ATOM 5562 N ILE B 214 12.677 25.689 132.479 1.00 82.83 MOL2 N ATOM 5563 CA ILE B 214 14.071 25.675 132.060 1.00 82.43 MOL2 C ATOM 5564 C ILE B 214 14.186 24.818 130.796 1.00 82.24 MOL2 C ATOM 5565 O ILE B 214 14.988 25.200 129.942 1.00 82.20 MOL2 O ATOM 5566 CB ILE B 214 15.048 25.132 133.156 1.00 82.05 MOL2 C ATOM 5567 CG1 ILE B 214 14.771 23.735 133.627 1.00 82.59 MOL2 C ATOM 5568 CG2 ILE B 214 14.892 26.024 134.359 1.00 83.08 MOL2 C ATOM 5569 CD1 ILE B 214 15.841 23.285 134.650 1.00 82.76 MOL2 C ATOM 5570 H ILE B 214 12.222 24.862 132.738 1.00 0.00 MOL2 H ATOM 5571 N SER B 215 13.436 23.696 130.617 1.00 81.41 MOL2 N ATOM 5572 CA SER B 215 13.354 22.911 129.367 1.00 79.25 MOL2 C ATOM 5573 C SER B 215 12.015 23.301 128.789 1.00 78.58 MOL2 C ATOM 5574 O SER B 215 11.121 23.464 129.615 1.00 78.76 MOL2 O ATOM 5575 CB SER B 215 13.276 21.424 129.587 1.00 78.67 MOL2 C ATOM 5576 OG SER B 215 14.464 20.919 130.149 1.00 79.24 MOL2 O ATOM 5577 H SER B 215 12.872 23.375 131.347 1.00 0.00 MOL2 H ATOM 5578 HG SER B 215 15.025 20.713 129.374 1.00 0.00 MOL2 H ATOM 5579 N PRO B 216 11.701 23.510 127.507 1.00 78.61 MOL2 N ATOM 5580 CA PRO B 216 10.336 23.844 127.091 1.00 78.31 MOL2 C ATOM 5581 C PRO B 216 9.458 22.593 127.010 1.00 78.17 MOL2 C ATOM 5582 O PRO B 216 8.238 22.686 126.908 1.00 77.31 MOL2 O ATOM 5583 CB PRO B 216 10.511 24.586 125.772 1.00 77.47 MOL2 C ATOM 5584 CG PRO B 216 11.977 24.968 125.762 1.00 78.21 MOL2 C ATOM 5585 CD PRO B 216 12.646 23.762 126.433 1.00 79.09 MOL2 C ATOM 5586 N ARG B 217 10.033 21.381 127.110 1.00 78.47 MOL2 N ATOM 5587 CA ARG B 217 9.233 20.160 127.158 1.00 79.31 MOL2 C ATOM 5588 C ARG B 217 8.412 20.015 128.445 1.00 78.64 MOL2 C ATOM 5589 O ARG B 217 7.639 19.072 128.613 1.00 78.33 MOL2 O ATOM 5590 CB ARG B 217 10.154 18.907 126.979 1.00 81.63 MOL2 C ATOM 5591 CG ARG B 217 11.423 18.610 127.806 1.00 85.53 MOL2 C ATOM 5592 CD ARG B 217 12.040 17.294 127.278 1.00 90.81 MOL2 C ATOM 5593 NE ARG B 217 13.378 16.932 127.785 1.00 95.41 MOL2 N ATOM 5594 CZ ARG B 217 14.156 15.948 127.243 1.00 96.75 MOL2 C ATOM 5595 NH1 ARG B 217 13.773 15.210 126.178 1.00 96.15 MOL2 N ATOM 5596 NH2 ARG B 217 15.356 15.672 127.785 1.00 96.61 MOL2 N ATOM 5597 H ARG B 217 11.008 21.311 127.126 1.00 0.00 MOL2 H ATOM 5598 HE ARG B 217 13.740 17.430 128.546 1.00 0.00 MOL2 H ATOM 5599 1HH1 ARG B 217 12.889 15.372 125.742 1.00 0.00 MOL2 H ATOM 5600 2HH1 ARG B 217 14.376 14.490 125.832 1.00 0.00 MOL2 H ATOM 5601 1HH2 ARG B 217 15.672 16.167 128.595 1.00 0.00 MOL2 H ATOM 5602 2HH2 ARG B 217 15.914 14.931 127.409 1.00 0.00 MOL2 H ATOM 5603 N SER B 218 8.543 20.937 129.395 1.00 77.90 MOL2 N ATOM 5604 CA SER B 218 7.934 20.851 130.703 1.00 76.53 MOL2 C ATOM 5605 C SER B 218 7.806 22.300 131.209 1.00 76.76 MOL2 C ATOM 5606 O SER B 218 8.749 23.100 131.126 1.00 77.17 MOL2 O ATOM 5607 CB SER B 218 8.858 20.001 131.594 1.00 75.47 MOL2 C ATOM 5608 OG SER B 218 9.252 18.732 131.068 1.00 73.28 MOL2 O ATOM 5609 H SER B 218 9.019 21.772 129.213 1.00 0.00 MOL2 H ATOM 5610 HG SER B 218 8.579 18.453 130.427 1.00 0.00 MOL2 H ATOM 5611 N THR B 219 6.664 22.747 131.721 1.00 76.51 MOL2 N ATOM 5612 CA THR B 219 6.511 24.128 132.151 1.00 75.58 MOL2 C ATOM 5613 C THR B 219 5.543 24.100 133.309 1.00 75.90 MOL2 C ATOM 5614 O THR B 219 4.795 23.124 133.452 1.00 74.93 MOL2 O ATOM 5615 CB THR B 219 5.959 24.938 130.989 1.00 75.85 MOL2 C ATOM 5616 OG1 THR B 219 6.775 24.600 129.872 1.00 76.65 MOL2 O ATOM 5617 CG2 THR B 219 5.973 26.439 131.213 1.00 76.49 MOL2 C ATOM 5618 H THR B 219 5.902 22.146 131.854 1.00 0.00 MOL2 H ATOM 5619 HG1 THR B 219 7.702 24.539 130.142 1.00 0.00 MOL2 H ATOM 5620 N PHE B 220 5.606 25.125 134.168 1.00 76.58 MOL2 N ATOM 5621 CA PHE B 220 4.799 25.208 135.381 1.00 76.74 MOL2 C ATOM 5622 C PHE B 220 4.386 26.653 135.671 1.00 75.43 MOL2 C ATOM 5623 O PHE B 220 4.807 27.581 134.982 1.00 73.90 MOL2 O ATOM 5624 CB PHE B 220 5.591 24.704 136.591 1.00 79.63 MOL2 C ATOM 5625 CG PHE B 220 6.520 23.524 136.314 1.00 83.20 MOL2 C ATOM 5626 CD1 PHE B 220 7.809 23.746 135.810 1.00 84.76 MOL2 C ATOM 5627 CD2 PHE B 220 6.080 22.216 136.528 1.00 85.20 MOL2 C ATOM 5628 CE1 PHE B 220 8.639 22.656 135.522 1.00 86.51 MOL2 C ATOM 5629 CE2 PHE B 220 6.921 21.131 136.238 1.00 86.42 MOL2 C ATOM 5630 CZ PHE B 220 8.199 21.345 135.736 1.00 86.16 MOL2 C ATOM 5631 H PHE B 220 6.219 25.875 133.992 1.00 0.00 MOL2 H ATOM 5632 N SER B 221 3.485 26.825 136.630 1.00 74.67 MOL2 N ATOM 5633 CA SER B 221 3.120 28.109 137.242 1.00 74.02 MOL2 C ATOM 5634 C SER B 221 3.343 27.953 138.758 1.00 73.39 MOL2 C ATOM 5635 O SER B 221 3.624 28.856 139.563 1.00 71.95 MOL2 O ATOM 5636 CB SER B 221 1.654 28.416 136.911 1.00 74.28 MOL2 C ATOM 5637 OG SER B 221 0.925 27.253 136.501 1.00 74.21 MOL2 O ATOM 5638 H SER B 221 2.929 26.052 136.853 1.00 0.00 MOL2 H ATOM 5639 HG SER B 221 0.113 27.584 136.101 1.00 0.00 MOL2 H ATOM 5640 N THR B 222 3.230 26.672 139.106 1.00 73.06 MOL2 N ATOM 5641 CA THR B 222 3.449 26.091 140.411 1.00 72.65 MOL2 C ATOM 5642 C THR B 222 4.957 26.149 140.638 1.00 71.52 MOL2 C ATOM 5643 O THR B 222 5.609 25.122 140.447 1.00 69.70 MOL2 O ATOM 5644 CB THR B 222 2.878 24.598 140.385 1.00 73.47 MOL2 C ATOM 5645 OG1 THR B 222 2.389 24.302 139.062 1.00 72.07 MOL2 O ATOM 5646 CG2 THR B 222 1.785 24.389 141.439 1.00 73.51 MOL2 C ATOM 5647 H THR B 222 2.923 26.025 138.444 1.00 0.00 MOL2 H ATOM 5648 HG1 THR B 222 1.765 23.565 139.116 1.00 0.00 MOL2 H ATOM 5649 N LEU B 223 5.581 27.278 141.016 1.00 71.52 MOL2 N ATOM 5650 CA LEU B 223 7.045 27.295 141.153 1.00 71.72 MOL2 C ATOM 5651 C LEU B 223 7.630 26.219 142.067 1.00 71.85 MOL2 C ATOM 5652 O LEU B 223 8.657 25.615 141.745 1.00 70.68 MOL2 O ATOM 5653 CB LEU B 223 7.555 28.667 141.641 1.00 69.97 MOL2 C ATOM 5654 CG LEU B 223 8.686 29.275 140.735 1.00 68.47 MOL2 C ATOM 5655 CD1 LEU B 223 9.166 30.618 141.268 1.00 67.67 MOL2 C ATOM 5656 CD2 LEU B 223 9.884 28.367 140.694 1.00 65.40 MOL2 C ATOM 5657 H LEU B 223 5.066 28.116 141.050 1.00 0.00 MOL2 H ATOM 5658 N GLN B 224 6.941 25.892 143.161 1.00 72.98 MOL2 N ATOM 5659 CA GLN B 224 7.371 24.794 144.019 1.00 74.84 MOL2 C ATOM 5660 C GLN B 224 7.432 23.505 143.166 1.00 75.35 MOL2 C ATOM 5661 O GLN B 224 8.411 22.751 143.215 1.00 74.99 MOL2 O ATOM 5662 CB GLN B 224 6.364 24.728 145.217 1.00 75.47 MOL2 C ATOM 5663 CG GLN B 224 6.317 23.493 146.155 1.00 77.91 MOL2 C ATOM 5664 CD GLN B 224 6.859 23.537 147.595 1.00 79.53 MOL2 C ATOM 5665 OE1 GLN B 224 8.066 23.432 147.825 1.00 80.46 MOL2 O ATOM 5666 NE2 GLN B 224 6.033 23.623 148.644 1.00 79.01 MOL2 N ATOM 5667 H GLN B 224 6.153 26.418 143.392 1.00 0.00 MOL2 H ATOM 5668 1HE2 GLN B 224 6.465 23.617 149.521 1.00 0.00 MOL2 H ATOM 5669 2HE2 GLN B 224 5.067 23.691 148.513 1.00 0.00 MOL2 H ATOM 5670 N GLU B 225 6.480 23.300 142.242 1.00 75.68 MOL2 N ATOM 5671 CA GLU B 225 6.426 22.094 141.417 1.00 75.73 MOL2 C ATOM 5672 C GLU B 225 7.644 21.845 140.540 1.00 74.75 MOL2 C ATOM 5673 O GLU B 225 8.019 20.675 140.322 1.00 74.64 MOL2 O ATOM 5674 CB GLU B 225 5.218 22.109 140.478 1.00 77.58 MOL2 C ATOM 5675 H GLU B 225 5.833 24.003 142.050 1.00 0.00 MOL2 H ATOM 5676 N LEU B 226 8.274 22.946 140.087 1.00 72.41 MOL2 N ATOM 5677 CA LEU B 226 9.490 22.849 139.291 1.00 70.40 MOL2 C ATOM 5678 C LEU B 226 10.520 22.064 140.082 1.00 69.82 MOL2 C ATOM 5679 O LEU B 226 10.997 20.998 139.675 1.00 68.55 MOL2 O ATOM 5680 CB LEU B 226 10.093 24.235 138.958 1.00 68.38 MOL2 C ATOM 5681 CG LEU B 226 11.377 24.291 138.080 1.00 66.96 MOL2 C ATOM 5682 CD1 LEU B 226 11.354 25.493 137.165 1.00 64.64 MOL2 C ATOM 5683 CD2 LEU B 226 12.609 24.398 138.956 1.00 66.99 MOL2 C ATOM 5684 H LEU B 226 7.906 23.822 140.325 1.00 0.00 MOL2 H ATOM 5685 N VAL B 227 10.692 22.537 141.310 1.00 68.90 MOL2 N ATOM 5686 CA VAL B 227 11.757 22.018 142.119 1.00 67.11 MOL2 C ATOM 5687 C VAL B 227 11.404 20.581 142.414 1.00 67.30 MOL2 C ATOM 5688 O VAL B 227 12.121 19.695 141.974 1.00 66.08 MOL2 O ATOM 5689 CB VAL B 227 11.958 22.898 143.430 1.00 65.30 MOL2 C ATOM 5690 CG1 VAL B 227 11.585 24.319 143.079 1.00 62.52 MOL2 C ATOM 5691 CG2 VAL B 227 11.165 22.448 144.635 1.00 64.61 MOL2 C ATOM 5692 H VAL B 227 10.007 23.126 141.693 1.00 0.00 MOL2 H ATOM 5693 N ASP B 228 10.207 20.312 142.903 1.00 70.09 MOL2 N ATOM 5694 CA ASP B 228 9.878 18.980 143.360 1.00 74.08 MOL2 C ATOM 5695 C ASP B 228 10.030 17.915 142.316 1.00 75.43 MOL2 C ATOM 5696 O ASP B 228 10.465 16.781 142.565 1.00 75.74 MOL2 O ATOM 5697 CB ASP B 228 8.450 18.916 143.897 1.00 76.17 MOL2 C ATOM 5698 CG ASP B 228 8.236 19.591 145.258 1.00 78.24 MOL2 C ATOM 5699 OD1 ASP B 228 8.866 19.225 146.265 1.00 76.88 MOL2 O ATOM 5700 OD2 ASP B 228 7.405 20.497 145.299 1.00 79.97 MOL2 O ATOM 5701 H ASP B 228 9.546 21.036 142.957 1.00 0.00 MOL2 H ATOM 5702 N HIS B 229 9.759 18.390 141.112 1.00 77.08 MOL2 N ATOM 5703 CA HIS B 229 9.835 17.530 139.959 1.00 79.42 MOL2 C ATOM 5704 C HIS B 229 11.224 16.892 139.810 1.00 79.35 MOL2 C ATOM 5705 O HIS B 229 11.426 15.662 139.847 1.00 78.46 MOL2 O ATOM 5706 CB HIS B 229 9.399 18.424 138.784 1.00 79.31 MOL2 C ATOM 5707 CG HIS B 229 9.681 17.914 137.387 1.00 79.37 MOL2 C ATOM 5708 ND1 HIS B 229 9.888 18.722 136.367 1.00 79.05 MOL2 N ATOM 5709 CD2 HIS B 229 9.811 16.608 136.971 1.00 78.53 MOL2 C ATOM 5710 CE1 HIS B 229 10.153 17.963 135.341 1.00 80.00 MOL2 C ATOM 5711 NE2 HIS B 229 10.107 16.703 135.716 1.00 79.55 MOL2 N ATOM 5712 H HIS B 229 9.479 19.327 141.011 1.00 0.00 MOL2 H ATOM 5713 HD1 HIS B 229 9.974 19.700 136.408 1.00 0.00 MOL2 H ATOM 5714 HE2 HIS B 229 10.288 15.942 135.120 1.00 0.00 MOL2 H ATOM 5715 N TYR B 230 12.188 17.792 139.733 1.00 79.36 MOL2 N ATOM 5716 CA TYR B 230 13.554 17.397 139.499 1.00 79.40 MOL2 C ATOM 5717 C TYR B 230 14.174 16.660 140.704 1.00 81.06 MOL2 C ATOM 5718 O TYR B 230 15.294 16.145 140.619 1.00 82.14 MOL2 O ATOM 5719 CB TYR B 230 14.306 18.686 139.108 1.00 76.95 MOL2 C ATOM 5720 CG TYR B 230 13.870 19.393 137.809 1.00 74.00 MOL2 C ATOM 5721 CD1 TYR B 230 14.318 18.879 136.588 1.00 73.19 MOL2 C ATOM 5722 CD2 TYR B 230 13.042 20.522 137.814 1.00 70.16 MOL2 C ATOM 5723 CE1 TYR B 230 13.948 19.479 135.387 1.00 70.55 MOL2 C ATOM 5724 CE2 TYR B 230 12.666 21.119 136.615 1.00 68.89 MOL2 C ATOM 5725 CZ TYR B 230 13.119 20.593 135.400 1.00 69.24 MOL2 C ATOM 5726 OH TYR B 230 12.700 21.128 134.187 1.00 68.32 MOL2 O ATOM 5727 H TYR B 230 11.997 18.728 139.980 1.00 0.00 MOL2 H ATOM 5728 HH TYR B 230 13.219 20.747 133.462 1.00 0.00 MOL2 H ATOM 5729 N LYS B 231 13.476 16.555 141.850 1.00 82.18 MOL2 N ATOM 5730 CA LYS B 231 13.948 15.821 143.029 1.00 82.37 MOL2 C ATOM 5731 C LYS B 231 13.847 14.327 142.818 1.00 82.34 MOL2 C ATOM 5732 O LYS B 231 14.542 13.504 143.415 1.00 79.97 MOL2 O ATOM 5733 CB LYS B 231 13.120 16.216 144.239 1.00 82.73 MOL2 C ATOM 5734 CG LYS B 231 13.316 17.702 144.508 1.00 84.02 MOL2 C ATOM 5735 CD LYS B 231 12.440 18.314 145.588 1.00 86.25 MOL2 C ATOM 5736 CE LYS B 231 12.622 17.604 146.913 1.00 88.62 MOL2 C ATOM 5737 NZ LYS B 231 11.848 18.213 147.982 1.00 90.24 MOL2 N ATOM 5738 H LYS B 231 12.625 17.032 141.922 1.00 0.00 MOL2 H ATOM 5739 1HZ LYS B 231 10.832 18.182 147.760 1.00 0.00 MOL2 H ATOM 5740 2HZ LYS B 231 12.032 17.645 148.835 1.00 0.00 MOL2 H ATOM 5741 3HZ LYS B 231 12.159 19.192 148.141 1.00 0.00 MOL2 H ATOM 5742 N LYS B 232 12.877 14.020 141.961 1.00 83.85 MOL2 N ATOM 5743 CA LYS B 232 12.653 12.664 141.551 1.00 85.91 MOL2 C ATOM 5744 C LYS B 232 13.057 12.469 140.092 1.00 85.22 MOL2 C ATOM 5745 O LYS B 232 13.331 11.329 139.703 1.00 85.11 MOL2 O ATOM 5746 CB LYS B 232 11.170 12.330 141.803 1.00 89.04 MOL2 C ATOM 5747 CG LYS B 232 10.790 12.181 143.312 1.00 92.13 MOL2 C ATOM 5748 CD LYS B 232 11.328 10.932 144.055 1.00 93.34 MOL2 C ATOM 5749 CE LYS B 232 11.516 11.209 145.559 1.00 94.23 MOL2 C ATOM 5750 NZ LYS B 232 12.584 12.174 145.819 1.00 96.17 MOL2 N ATOM 5751 H LYS B 232 12.300 14.729 141.609 1.00 0.00 MOL2 H ATOM 5752 1HZ LYS B 232 13.480 11.840 145.406 1.00 0.00 MOL2 H ATOM 5753 2HZ LYS B 232 12.341 13.091 145.393 1.00 0.00 MOL2 H ATOM 5754 3HZ LYS B 232 12.721 12.298 146.843 1.00 0.00 MOL2 H ATOM 5755 N GLY B 233 13.157 13.510 139.245 1.00 84.28 MOL2 N ATOM 5756 CA GLY B 233 13.600 13.333 137.858 1.00 82.55 MOL2 C ATOM 5757 C GLY B 233 14.753 14.224 137.370 1.00 80.77 MOL2 C ATOM 5758 O GLY B 233 14.569 15.431 137.217 1.00 79.86 MOL2 O ATOM 5759 H GLY B 233 12.882 14.398 139.548 1.00 0.00 MOL2 H ATOM 5760 N ASN B 234 15.933 13.671 137.043 1.00 79.72 MOL2 N ATOM 5761 CA ASN B 234 17.095 14.414 136.533 1.00 78.83 MOL2 C ATOM 5762 C ASN B 234 16.910 14.692 135.051 1.00 78.77 MOL2 C ATOM 5763 O ASN B 234 17.651 14.212 134.183 1.00 77.68 MOL2 O ATOM 5764 CB ASN B 234 18.378 13.594 136.712 1.00 78.00 MOL2 C ATOM 5765 H ASN B 234 16.028 12.705 137.155 1.00 0.00 MOL2 H ATOM 5766 N ASP B 235 15.867 15.478 134.770 1.00 79.37 MOL2 N ATOM 5767 CA ASP B 235 15.404 15.725 133.409 1.00 79.70 MOL2 C ATOM 5768 C ASP B 235 16.342 16.590 132.576 1.00 78.37 MOL2 C ATOM 5769 O ASP B 235 16.180 17.804 132.455 1.00 78.04 MOL2 O ATOM 5770 CB ASP B 235 13.984 16.349 133.494 1.00 80.85 MOL2 C ATOM 5771 CG ASP B 235 13.262 16.620 132.168 1.00 81.75 MOL2 C ATOM 5772 OD1 ASP B 235 13.238 15.746 131.312 1.00 82.89 MOL2 O ATOM 5773 OD2 ASP B 235 12.709 17.704 131.985 1.00 82.94 MOL2 O ATOM 5774 H ASP B 235 15.401 15.920 135.515 1.00 0.00 MOL2 H ATOM 5775 N GLY B 236 17.422 15.978 132.084 1.00 77.15 MOL2 N ATOM 5776 CA GLY B 236 18.398 16.681 131.257 1.00 74.29 MOL2 C ATOM 5777 C GLY B 236 19.385 17.452 132.117 1.00 71.07 MOL2 C ATOM 5778 O GLY B 236 20.474 17.825 131.678 1.00 70.66 MOL2 O ATOM 5779 H GLY B 236 17.614 15.057 132.371 1.00 0.00 MOL2 H ATOM 5780 N LEU B 237 18.967 17.743 133.347 1.00 68.46 MOL2 N ATOM 5781 CA LEU B 237 19.822 18.356 134.327 1.00 66.90 MOL2 C ATOM 5782 C LEU B 237 20.933 17.381 134.580 1.00 66.71 MOL2 C ATOM 5783 O LEU B 237 20.776 16.158 134.469 1.00 66.71 MOL2 O ATOM 5784 CB LEU B 237 19.166 18.587 135.683 1.00 64.11 MOL2 C ATOM 5785 CG LEU B 237 17.968 19.489 135.808 1.00 62.17 MOL2 C ATOM 5786 CD1 LEU B 237 17.982 20.045 137.213 1.00 60.50 MOL2 C ATOM 5787 CD2 LEU B 237 18.010 20.633 134.817 1.00 58.43 MOL2 C ATOM 5788 H LEU B 237 18.056 17.551 133.606 1.00 0.00 MOL2 H ATOM 5789 N CYS B 238 22.042 17.989 134.962 1.00 66.60 MOL2 N ATOM 5790 CA CYS B 238 23.199 17.198 135.278 1.00 67.12 MOL2 C ATOM 5791 C CYS B 238 22.906 16.261 136.450 1.00 66.86 MOL2 C ATOM 5792 O CYS B 238 23.381 15.117 136.421 1.00 67.95 MOL2 O ATOM 5793 CB CYS B 238 24.378 18.131 135.607 1.00 67.12 MOL2 C ATOM 5794 SG CYS B 238 24.073 19.283 136.976 1.00 65.93 MOL2 S ATOM 5795 H CYS B 238 22.106 18.972 134.966 1.00 0.00 MOL2 H ATOM 5796 N GLN B 239 22.100 16.691 137.455 1.00 64.88 MOL2 N ATOM 5797 CA GLN B 239 21.874 15.967 138.711 1.00 61.33 MOL2 C ATOM 5798 C GLN B 239 20.456 15.970 139.302 1.00 59.94 MOL2 C ATOM 5799 O GLN B 239 19.648 16.846 138.985 1.00 58.80 MOL2 O ATOM 5800 CB GLN B 239 22.849 16.533 139.711 1.00 60.56 MOL2 C ATOM 5801 CG GLN B 239 24.293 16.213 139.351 1.00 62.66 MOL2 C ATOM 5802 CD GLN B 239 24.569 14.726 139.477 1.00 64.15 MOL2 C ATOM 5803 OE1 GLN B 239 24.844 14.295 140.589 1.00 66.98 MOL2 O ATOM 5804 NE2 GLN B 239 24.510 13.827 138.499 1.00 64.60 MOL2 N ATOM 5805 H GLN B 239 21.582 17.509 137.308 1.00 0.00 MOL2 H ATOM 5806 1HE2 GLN B 239 24.648 12.896 138.767 1.00 0.00 MOL2 H ATOM 5807 2HE2 GLN B 239 24.322 14.093 137.578 1.00 0.00 MOL2 H ATOM 5808 N LYS B 240 20.155 14.980 140.164 1.00 59.49 MOL2 N ATOM 5809 CA LYS B 240 18.862 14.780 140.855 1.00 58.63 MOL2 C ATOM 5810 C LYS B 240 18.754 15.650 142.107 1.00 55.89 MOL2 C ATOM 5811 O LYS B 240 19.397 15.332 143.120 1.00 55.29 MOL2 O ATOM 5812 CB LYS B 240 18.720 13.273 141.234 1.00 61.53 MOL2 C ATOM 5813 CG LYS B 240 17.542 12.838 142.143 1.00 64.10 MOL2 C ATOM 5814 CD LYS B 240 17.636 11.352 142.532 1.00 65.47 MOL2 C ATOM 5815 CE LYS B 240 16.395 10.883 143.303 1.00 66.66 MOL2 C ATOM 5816 NZ LYS B 240 16.321 9.433 143.295 1.00 67.41 MOL2 N ATOM 5817 H LYS B 240 20.876 14.364 140.403 1.00 0.00 MOL2 H ATOM 5818 1HZ LYS B 240 17.186 9.029 143.709 1.00 0.00 MOL2 H ATOM 5819 2HZ LYS B 240 15.492 9.111 143.834 1.00 0.00 MOL2 H ATOM 5820 3HZ LYS B 240 16.235 9.103 142.312 1.00 0.00 MOL2 H ATOM 5821 N LEU B 241 17.925 16.702 142.062 1.00 52.70 MOL2 N ATOM 5822 CA LEU B 241 17.883 17.707 143.128 1.00 50.96 MOL2 C ATOM 5823 C LEU B 241 17.600 17.093 144.468 1.00 51.05 MOL2 C ATOM 5824 O LEU B 241 16.624 16.356 144.613 1.00 52.71 MOL2 O ATOM 5825 CB LEU B 241 16.795 18.738 142.989 1.00 47.97 MOL2 C ATOM 5826 CG LEU B 241 16.666 19.621 141.802 1.00 45.42 MOL2 C ATOM 5827 CD1 LEU B 241 15.429 20.444 142.019 1.00 42.22 MOL2 C ATOM 5828 CD2 LEU B 241 17.898 20.489 141.612 1.00 44.78 MOL2 C ATOM 5829 H LEU B 241 17.237 16.726 141.359 1.00 0.00 MOL2 H ATOM 5830 N SER B 242 18.431 17.397 145.437 1.00 50.07 MOL2 N ATOM 5831 CA SER B 242 18.186 16.809 146.715 1.00 49.35 MOL2 C ATOM 5832 C SER B 242 17.781 17.851 147.749 1.00 48.22 MOL2 C ATOM 5833 O SER B 242 16.669 18.376 147.696 1.00 47.74 MOL2 O ATOM 5834 CB SER B 242 19.462 15.986 147.050 1.00 50.48 MOL2 C ATOM 5835 OG SER B 242 20.738 16.625 147.077 1.00 50.26 MOL2 O ATOM 5836 H SER B 242 19.190 17.993 145.276 1.00 0.00 MOL2 H ATOM 5837 HG SER B 242 21.404 15.930 146.950 1.00 0.00 MOL2 H ATOM 5838 N VAL B 243 18.599 18.274 148.690 1.00 47.20 MOL2 N ATOM 5839 CA VAL B 243 18.077 19.209 149.652 1.00 46.60 MOL2 C ATOM 5840 C VAL B 243 18.436 20.631 149.239 1.00 46.32 MOL2 C ATOM 5841 O VAL B 243 19.365 20.869 148.461 1.00 46.12 MOL2 O ATOM 5842 CB VAL B 243 18.626 18.839 151.039 1.00 46.73 MOL2 C ATOM 5843 CG1 VAL B 243 17.789 17.650 151.457 1.00 45.88 MOL2 C ATOM 5844 CG2 VAL B 243 20.141 18.541 151.069 1.00 46.93 MOL2 C ATOM 5845 H VAL B 243 19.572 18.203 148.557 1.00 0.00 MOL2 H ATOM 5846 N PRO B 244 17.669 21.617 149.687 1.00 45.80 MOL2 N ATOM 5847 CA PRO B 244 18.081 22.996 149.753 1.00 44.85 MOL2 C ATOM 5848 C PRO B 244 19.498 23.204 150.244 1.00 44.40 MOL2 C ATOM 5849 O PRO B 244 20.112 22.316 150.843 1.00 44.34 MOL2 O ATOM 5850 CB PRO B 244 16.999 23.575 150.623 1.00 45.82 MOL2 C ATOM 5851 CG PRO B 244 15.752 22.930 150.079 1.00 45.20 MOL2 C ATOM 5852 CD PRO B 244 16.242 21.493 149.979 1.00 46.47 MOL2 C ATOM 5853 N CYS B 245 20.049 24.357 149.905 1.00 44.93 MOL2 N ATOM 5854 CA CYS B 245 21.391 24.730 150.348 1.00 47.19 MOL2 C ATOM 5855 C CYS B 245 21.311 25.114 151.825 1.00 49.59 MOL2 C ATOM 5856 O CYS B 245 20.227 25.439 152.318 1.00 51.33 MOL2 O ATOM 5857 CB CYS B 245 21.865 25.910 149.511 1.00 45.21 MOL2 C ATOM 5858 SG CYS B 245 23.562 26.529 149.651 1.00 43.04 MOL2 S ATOM 5859 H CYS B 245 19.525 24.994 149.380 1.00 0.00 MOL2 H ATOM 5860 N MET B 246 22.380 25.069 152.613 1.00 51.73 MOL2 N ATOM 5861 CA MET B 246 22.305 25.501 153.985 1.00 53.82 MOL2 C ATOM 5862 C MET B 246 21.900 26.955 154.096 1.00 55.83 MOL2 C ATOM 5863 O MET B 246 22.318 27.804 153.302 1.00 55.54 MOL2 O ATOM 5864 CB MET B 246 23.641 25.279 154.620 1.00 55.62 MOL2 C ATOM 5865 CG MET B 246 23.478 24.179 155.629 1.00 60.86 MOL2 C ATOM 5866 SD MET B 246 22.678 22.680 154.968 1.00 66.88 MOL2 S ATOM 5867 CE MET B 246 21.269 22.527 156.058 1.00 66.10 MOL2 C ATOM 5868 H MET B 246 23.209 24.671 152.271 1.00 0.00 MOL2 H ATOM 5869 N SER B 247 20.962 27.219 154.995 1.00 58.29 MOL2 N ATOM 5870 CA SER B 247 20.585 28.583 155.290 1.00 60.35 MOL2 C ATOM 5871 C SER B 247 21.617 29.016 156.361 1.00 61.90 MOL2 C ATOM 5872 O SER B 247 21.952 28.258 157.290 1.00 63.09 MOL2 O ATOM 5873 CB SER B 247 19.131 28.585 155.822 1.00 61.00 MOL2 C ATOM 5874 OG SER B 247 18.224 27.629 155.239 1.00 62.80 MOL2 O ATOM 5875 H SER B 247 20.500 26.491 155.459 1.00 0.00 MOL2 H ATOM 5876 HG SER B 247 18.165 27.748 154.282 1.00 0.00 MOL2 H ATOM 5877 N SER B 248 22.225 30.188 156.205 1.00 62.76 MOL2 N ATOM 5878 CA SER B 248 23.141 30.765 157.187 1.00 63.11 MOL2 C ATOM 5879 C SER B 248 22.364 31.899 157.890 1.00 63.24 MOL2 C ATOM 5880 O SER B 248 21.874 32.797 157.179 1.00 63.16 MOL2 O ATOM 5881 CB SER B 248 24.359 31.294 156.426 1.00 63.47 MOL2 C ATOM 5882 OG SER B 248 24.561 30.509 155.247 1.00 63.97 MOL2 O ATOM 5883 H SER B 248 22.134 30.670 155.359 1.00 0.00 MOL2 H ATOM 5884 HG SER B 248 25.130 30.981 154.636 1.00 0.00 MOL2 H ATOM 5885 N LYS B 249 22.194 31.900 159.236 1.00 62.48 MOL2 N ATOM 5886 CA LYS B 249 21.398 32.931 159.931 1.00 62.25 MOL2 C ATOM 5887 C LYS B 249 21.978 34.320 159.754 1.00 60.69 MOL2 C ATOM 5888 O LYS B 249 23.197 34.463 159.902 1.00 60.92 MOL2 O ATOM 5889 CB LYS B 249 21.292 32.738 161.461 1.00 64.35 MOL2 C ATOM 5890 CG LYS B 249 20.173 31.846 162.078 1.00 67.40 MOL2 C ATOM 5891 CD LYS B 249 20.086 31.971 163.635 1.00 68.05 MOL2 C ATOM 5892 CE LYS B 249 19.121 30.976 164.314 1.00 68.70 MOL2 C ATOM 5893 NZ LYS B 249 19.183 31.063 165.768 1.00 68.18 MOL2 N ATOM 5894 H LYS B 249 22.660 31.224 159.763 1.00 0.00 MOL2 H ATOM 5895 1HZ LYS B 249 19.011 32.048 166.057 1.00 0.00 MOL2 H ATOM 5896 2HZ LYS B 249 18.459 30.447 166.190 1.00 0.00 MOL2 H ATOM 5897 3HZ LYS B 249 20.126 30.768 166.091 1.00 0.00 MOL2 H ATOM 5898 N PRO B 250 21.163 35.338 159.426 1.00 59.01 MOL2 N ATOM 5899 CA PRO B 250 21.600 36.685 159.129 1.00 59.14 MOL2 C ATOM 5900 C PRO B 250 22.290 37.218 160.365 1.00 59.49 MOL2 C ATOM 5901 O PRO B 250 22.053 36.726 161.472 1.00 59.58 MOL2 O ATOM 5902 CB PRO B 250 20.350 37.457 158.791 1.00 58.09 MOL2 C ATOM 5903 CG PRO B 250 19.353 36.397 158.440 1.00 58.25 MOL2 C ATOM 5904 CD PRO B 250 19.718 35.322 159.451 1.00 58.07 MOL2 C ATOM 5905 N GLN B 251 23.178 38.196 160.189 1.00 60.27 MOL2 N ATOM 5906 CA GLN B 251 23.832 38.765 161.345 1.00 60.30 MOL2 C ATOM 5907 C GLN B 251 22.777 39.779 161.823 1.00 58.29 MOL2 C ATOM 5908 O GLN B 251 22.040 40.390 161.031 1.00 56.45 MOL2 O ATOM 5909 CB GLN B 251 25.206 39.410 160.929 1.00 63.14 MOL2 C ATOM 5910 CG GLN B 251 26.425 39.015 161.855 1.00 66.66 MOL2 C ATOM 5911 CD GLN B 251 27.703 39.902 161.945 1.00 67.69 MOL2 C ATOM 5912 OE1 GLN B 251 27.701 41.131 161.776 1.00 66.69 MOL2 O ATOM 5913 NE2 GLN B 251 28.872 39.335 162.276 1.00 68.04 MOL2 N ATOM 5914 H GLN B 251 23.269 38.619 159.318 1.00 0.00 MOL2 H ATOM 5915 1HE2 GLN B 251 29.658 39.914 162.197 1.00 0.00 MOL2 H ATOM 5916 2HE2 GLN B 251 28.916 38.391 162.525 1.00 0.00 MOL2 H ATOM 5917 N LYS B 252 22.666 39.818 163.156 1.00 56.57 MOL2 N ATOM 5918 CA LYS B 252 21.695 40.620 163.889 1.00 54.84 MOL2 C ATOM 5919 C LYS B 252 22.064 42.075 163.654 1.00 53.53 MOL2 C ATOM 5920 O LYS B 252 23.245 42.388 163.776 1.00 53.68 MOL2 O ATOM 5921 CB LYS B 252 21.774 40.359 165.382 1.00 56.31 MOL2 C ATOM 5922 CG LYS B 252 22.276 38.993 165.871 1.00 60.05 MOL2 C ATOM 5923 CD LYS B 252 22.622 39.124 167.373 1.00 62.27 MOL2 C ATOM 5924 CE LYS B 252 23.370 37.923 167.981 1.00 62.84 MOL2 C ATOM 5925 NZ LYS B 252 23.580 38.115 169.408 1.00 60.77 MOL2 N ATOM 5926 H LYS B 252 23.314 39.287 163.650 1.00 0.00 MOL2 H ATOM 5927 1HZ LYS B 252 24.088 39.008 169.571 1.00 0.00 MOL2 H ATOM 5928 2HZ LYS B 252 22.665 38.130 169.901 1.00 0.00 MOL2 H ATOM 5929 3HZ LYS B 252 24.152 37.324 169.769 1.00 0.00 MOL2 H ATOM 5930 N PRO B 253 21.197 43.020 163.303 1.00 52.68 MOL2 N ATOM 5931 CA PRO B 253 21.541 44.412 163.079 1.00 52.67 MOL2 C ATOM 5932 C PRO B 253 21.890 45.150 164.350 1.00 52.65 MOL2 C ATOM 5933 O PRO B 253 21.557 44.764 165.481 1.00 53.39 MOL2 O ATOM 5934 CB PRO B 253 20.341 45.022 162.404 1.00 52.93 MOL2 C ATOM 5935 CG PRO B 253 19.236 44.274 163.097 1.00 52.41 MOL2 C ATOM 5936 CD PRO B 253 19.777 42.833 163.087 1.00 53.57 MOL2 C ATOM 5937 N TRP B 254 22.490 46.300 164.090 1.00 52.22 MOL2 N ATOM 5938 CA TRP B 254 22.896 47.180 165.154 1.00 51.42 MOL2 C ATOM 5939 C TRP B 254 21.658 47.857 165.711 1.00 50.30 MOL2 C ATOM 5940 O TRP B 254 20.686 48.081 164.993 1.00 49.01 MOL2 O ATOM 5941 CB TRP B 254 23.831 48.203 164.607 1.00 52.85 MOL2 C ATOM 5942 CG TRP B 254 24.677 48.936 165.644 1.00 53.06 MOL2 C ATOM 5943 CD1 TRP B 254 24.644 50.309 165.744 1.00 52.95 MOL2 C ATOM 5944 CD2 TRP B 254 25.622 48.364 166.449 1.00 52.77 MOL2 C ATOM 5945 NE1 TRP B 254 25.592 50.604 166.586 1.00 51.45 MOL2 N ATOM 5946 CE2 TRP B 254 26.196 49.495 167.024 1.00 52.46 MOL2 C ATOM 5947 CE3 TRP B 254 26.090 47.085 166.750 1.00 54.03 MOL2 C ATOM 5948 CZ2 TRP B 254 27.258 49.344 167.907 1.00 52.66 MOL2 C ATOM 5949 CZ3 TRP B 254 27.159 46.945 167.639 1.00 52.05 MOL2 C ATOM 5950 CH2 TRP B 254 27.735 48.068 168.205 1.00 51.79 MOL2 C ATOM 5951 H TRP B 254 22.537 46.615 163.167 1.00 0.00 MOL2 H ATOM 5952 HE1 TRP B 254 25.872 51.527 166.779 1.00 0.00 MOL2 H ATOM 5953 N GLU B 255 21.774 48.185 167.001 1.00 50.63 MOL2 N ATOM 5954 CA GLU B 255 20.733 48.801 167.792 1.00 51.06 MOL2 C ATOM 5955 C GLU B 255 20.334 50.119 167.130 1.00 51.48 MOL2 C ATOM 5956 O GLU B 255 21.107 50.916 166.561 1.00 50.13 MOL2 O ATOM 5957 CB GLU B 255 21.283 48.997 169.226 1.00 52.92 MOL2 C ATOM 5958 CG GLU B 255 20.377 49.592 170.347 1.00 55.41 MOL2 C ATOM 5959 CD GLU B 255 20.961 49.692 171.772 1.00 54.72 MOL2 C ATOM 5960 OE1 GLU B 255 21.755 50.599 172.030 1.00 53.61 MOL2 O ATOM 5961 OE2 GLU B 255 20.600 48.875 172.627 1.00 55.32 MOL2 O ATOM 5962 H GLU B 255 22.667 48.122 167.390 1.00 0.00 MOL2 H ATOM 5963 N LYS B 257 19.020 50.262 167.173 1.00 52.36 MOL2 N ATOM 5964 CA LYS B 257 18.345 51.386 166.575 1.00 53.32 MOL2 C ATOM 5965 C LYS B 257 18.944 52.651 167.191 1.00 55.37 MOL2 C ATOM 5966 O LYS B 257 18.934 52.854 168.412 1.00 55.36 MOL2 O ATOM 5967 CB LYS B 257 16.843 51.239 166.869 1.00 51.63 MOL2 C ATOM 5968 CG LYS B 257 15.924 51.552 165.697 1.00 49.18 MOL2 C ATOM 5969 CD LYS B 257 14.457 51.536 166.107 1.00 46.86 MOL2 C ATOM 5970 CE LYS B 257 13.887 52.921 166.488 1.00 48.13 MOL2 C ATOM 5971 NZ LYS B 257 13.293 53.663 165.377 1.00 46.49 MOL2 N ATOM 5972 H LYS B 257 18.493 49.584 167.637 1.00 0.00 MOL2 H ATOM 5973 1HZ LYS B 257 12.543 53.088 164.944 1.00 0.00 MOL2 H ATOM 5974 2HZ LYS B 257 12.883 54.551 165.732 1.00 0.00 MOL2 H ATOM 5975 3HZ LYS B 257 14.025 53.867 164.667 1.00 0.00 MOL2 H ATOM 5976 N ASP B 258 19.639 53.347 166.283 1.00 57.53 MOL2 N ATOM 5977 CA ASP B 258 20.212 54.685 166.482 1.00 59.90 MOL2 C ATOM 5978 C ASP B 258 21.427 54.834 167.377 1.00 59.68 MOL2 C ATOM 5979 O ASP B 258 21.802 55.950 167.783 1.00 60.59 MOL2 O ATOM 5980 CB ASP B 258 19.167 55.676 167.022 1.00 61.86 MOL2 C ATOM 5981 CG ASP B 258 17.889 55.677 166.209 1.00 65.11 MOL2 C ATOM 5982 OD1 ASP B 258 17.941 55.730 164.971 1.00 65.12 MOL2 O ATOM 5983 OD2 ASP B 258 16.840 55.592 166.850 1.00 67.52 MOL2 O ATOM 5984 H ASP B 258 19.865 52.867 165.459 1.00 0.00 MOL2 H ATOM 5985 N ALA B 259 22.134 53.739 167.628 1.00 58.63 MOL2 N ATOM 5986 CA ALA B 259 23.326 53.845 168.447 1.00 57.77 MOL2 C ATOM 5987 C ALA B 259 24.531 54.081 167.542 1.00 56.59 MOL2 C ATOM 5988 O ALA B 259 25.386 53.247 167.285 1.00 55.89 MOL2 O ATOM 5989 CB ALA B 259 23.483 52.563 169.248 1.00 58.06 MOL2 C ATOM 5990 H ALA B 259 21.843 52.862 167.281 1.00 0.00 MOL2 H ATOM 5991 N TRP B 260 24.567 55.268 166.976 1.00 56.71 MOL2 N ATOM 5992 CA TRP B 260 25.660 55.663 166.107 1.00 57.06 MOL2 C ATOM 5993 C TRP B 260 26.726 56.431 166.908 1.00 57.13 MOL2 C ATOM 5994 O TRP B 260 27.938 56.210 166.850 1.00 56.66 MOL2 O ATOM 5995 CB TRP B 260 25.050 56.501 164.985 1.00 56.32 MOL2 C ATOM 5996 CG TRP B 260 26.138 57.134 164.162 1.00 56.64 MOL2 C ATOM 5997 CD1 TRP B 260 26.293 58.493 164.117 1.00 58.02 MOL2 C ATOM 5998 CD2 TRP B 260 27.077 56.452 163.451 1.00 57.07 MOL2 C ATOM 5999 NE1 TRP B 260 27.356 58.686 163.373 1.00 57.49 MOL2 N ATOM 6000 CE2 TRP B 260 27.856 57.516 162.957 1.00 56.67 MOL2 C ATOM 6001 CE3 TRP B 260 27.390 55.125 163.163 1.00 56.39 MOL2 C ATOM 6002 CZ2 TRP B 260 28.965 57.282 162.156 1.00 55.16 MOL2 C ATOM 6003 CZ3 TRP B 260 28.506 54.885 162.361 1.00 56.84 MOL2 C ATOM 6004 CH2 TRP B 260 29.281 55.950 161.867 1.00 56.58 MOL2 C ATOM 6005 H TRP B 260 23.810 55.866 167.150 1.00 0.00 MOL2 H ATOM 6006 HE1 TRP B 260 27.737 59.567 163.179 1.00 0.00 MOL2 H ATOM 6007 N GLU B 261 26.230 57.402 167.652 1.00 56.97 MOL2 N ATOM 6008 CA GLU B 261 27.037 58.189 168.548 1.00 55.96 MOL2 C ATOM 6009 C GLU B 261 27.003 57.291 169.764 1.00 55.09 MOL2 C ATOM 6010 O GLU B 261 25.914 57.029 170.320 1.00 54.93 MOL2 O ATOM 6011 CB GLU B 261 26.337 59.458 168.866 1.00 57.51 MOL2 C ATOM 6012 CG GLU B 261 26.132 60.378 167.687 1.00 60.03 MOL2 C ATOM 6013 CD GLU B 261 27.307 61.313 167.492 1.00 61.71 MOL2 C ATOM 6014 OE1 GLU B 261 27.955 61.697 168.478 1.00 61.96 MOL2 O ATOM 6015 OE2 GLU B 261 27.547 61.669 166.340 1.00 62.44 MOL2 O ATOM 6016 H GLU B 261 25.260 57.491 167.711 1.00 0.00 MOL2 H ATOM 6017 N ILE B 262 28.149 56.731 170.120 1.00 52.46 MOL2 N ATOM 6018 CA ILE B 262 28.186 55.900 171.296 1.00 49.36 MOL2 C ATOM 6019 C ILE B 262 29.058 56.544 172.355 1.00 49.92 MOL2 C ATOM 6020 O ILE B 262 30.109 57.161 172.139 1.00 50.22 MOL2 O ATOM 6021 CB ILE B 262 28.624 54.461 170.838 1.00 47.04 MOL2 C ATOM 6022 CG1 ILE B 262 27.312 53.713 170.735 1.00 45.30 MOL2 C ATOM 6023 CG2 ILE B 262 29.555 53.687 171.742 1.00 46.60 MOL2 C ATOM 6024 CD1 ILE B 262 26.347 53.811 171.952 1.00 46.07 MOL2 C ATOM 6025 H ILE B 262 28.964 56.941 169.625 1.00 0.00 MOL2 H ATOM 6026 N PRO B 263 28.399 56.585 173.516 1.00 49.98 MOL2 N ATOM 6027 CA PRO B 263 28.968 56.460 174.855 1.00 49.21 MOL2 C ATOM 6028 C PRO B 263 29.897 55.283 175.137 1.00 47.65 MOL2 C ATOM 6029 O PRO B 263 29.453 54.131 175.255 1.00 45.79 MOL2 O ATOM 6030 CB PRO B 263 27.749 56.447 175.754 1.00 50.62 MOL2 C ATOM 6031 CG PRO B 263 26.616 56.062 174.819 1.00 51.67 MOL2 C ATOM 6032 CD PRO B 263 26.988 56.950 173.640 1.00 51.36 MOL2 C ATOM 6033 N ARG B 264 31.158 55.661 175.415 1.00 45.45 MOL2 N ATOM 6034 CA ARG B 264 32.267 54.734 175.615 1.00 44.60 MOL2 C ATOM 6035 C ARG B 264 32.010 53.642 176.647 1.00 44.29 MOL2 C ATOM 6036 O ARG B 264 32.351 52.476 176.475 1.00 44.74 MOL2 O ATOM 6037 CB ARG B 264 33.534 55.534 175.997 1.00 43.60 MOL2 C ATOM 6038 CG ARG B 264 34.800 54.694 175.796 1.00 45.32 MOL2 C ATOM 6039 CD ARG B 264 36.135 55.266 176.312 1.00 48.24 MOL2 C ATOM 6040 NE ARG B 264 36.967 55.680 175.197 1.00 49.63 MOL2 N ATOM 6041 CZ ARG B 264 36.885 56.911 174.689 1.00 51.38 MOL2 C ATOM 6042 NH1 ARG B 264 36.058 57.823 175.201 1.00 53.58 MOL2 N ATOM 6043 NH2 ARG B 264 37.531 57.205 173.571 1.00 50.20 MOL2 N ATOM 6044 H ARG B 264 31.359 56.618 175.401 1.00 0.00 MOL2 H ATOM 6045 HE ARG B 264 37.626 55.059 174.829 1.00 0.00 MOL2 H ATOM 6046 1HH1 ARG B 264 35.466 57.578 175.968 1.00 0.00 MOL2 H ATOM 6047 2HH1 ARG B 264 36.004 58.733 174.793 1.00 0.00 MOL2 H ATOM 6048 1HH2 ARG B 264 38.114 56.532 173.123 1.00 0.00 MOL2 H ATOM 6049 2HH2 ARG B 264 37.479 58.132 173.203 1.00 0.00 MOL2 H ATOM 6050 N GLU B 265 31.242 54.013 177.655 1.00 43.84 MOL2 N ATOM 6051 CA GLU B 265 30.899 53.162 178.774 1.00 43.72 MOL2 C ATOM 6052 C GLU B 265 30.254 51.826 178.360 1.00 43.04 MOL2 C ATOM 6053 O GLU B 265 30.339 50.847 179.094 1.00 42.42 MOL2 O ATOM 6054 CB GLU B 265 29.998 54.026 179.665 1.00 45.91 MOL2 C ATOM 6055 CG GLU B 265 30.620 55.382 180.186 1.00 48.52 MOL2 C ATOM 6056 CD GLU B 265 30.744 56.645 179.283 1.00 50.13 MOL2 C ATOM 6057 OE1 GLU B 265 31.732 56.800 178.547 1.00 47.28 MOL2 O ATOM 6058 OE2 GLU B 265 29.851 57.502 179.349 1.00 50.86 MOL2 O ATOM 6059 H GLU B 265 30.822 54.889 177.590 1.00 0.00 MOL2 H ATOM 6060 N SER B 266 29.669 51.751 177.155 1.00 42.28 MOL2 N ATOM 6061 CA SER B 266 29.032 50.559 176.592 1.00 40.07 MOL2 C ATOM 6062 C SER B 266 30.008 49.431 176.213 1.00 39.05 MOL2 C ATOM 6063 O SER B 266 29.631 48.275 175.982 1.00 36.69 MOL2 O ATOM 6064 CB SER B 266 28.227 51.021 175.369 1.00 38.53 MOL2 C ATOM 6065 OG SER B 266 29.046 51.760 174.479 1.00 32.90 MOL2 O ATOM 6066 H SER B 266 29.724 52.517 176.554 1.00 0.00 MOL2 H ATOM 6067 HG SER B 266 28.703 52.653 174.458 1.00 0.00 MOL2 H ATOM 6068 N LEU B 267 31.283 49.753 176.113 1.00 38.69 MOL2 N ATOM 6069 CA LEU B 267 32.245 48.756 175.741 1.00 40.21 MOL2 C ATOM 6070 C LEU B 267 33.198 48.377 176.884 1.00 40.89 MOL2 C ATOM 6071 O LEU B 267 33.569 49.108 177.820 1.00 40.48 MOL2 O ATOM 6072 CB LEU B 267 33.117 49.226 174.576 1.00 40.70 MOL2 C ATOM 6073 CG LEU B 267 32.563 50.184 173.527 1.00 43.17 MOL2 C ATOM 6074 CD1 LEU B 267 33.780 50.844 172.868 1.00 40.90 MOL2 C ATOM 6075 CD2 LEU B 267 31.562 49.481 172.583 1.00 42.14 MOL2 C ATOM 6076 H LEU B 267 31.602 50.655 176.329 1.00 0.00 MOL2 H ATOM 6077 N LYS B 268 33.604 47.119 176.723 1.00 39.20 MOL2 N ATOM 6078 CA LYS B 268 34.674 46.537 177.487 1.00 36.30 MOL2 C ATOM 6079 C LYS B 268 35.569 46.007 176.361 1.00 33.77 MOL2 C ATOM 6080 O LYS B 268 35.277 45.024 175.655 1.00 30.94 MOL2 O ATOM 6081 CB LYS B 268 34.099 45.442 178.411 1.00 37.93 MOL2 C ATOM 6082 CG LYS B 268 33.033 46.051 179.331 1.00 41.06 MOL2 C ATOM 6083 CD LYS B 268 32.695 45.160 180.539 1.00 45.66 MOL2 C ATOM 6084 CE LYS B 268 31.558 45.769 181.428 1.00 47.47 MOL2 C ATOM 6085 NZ LYS B 268 31.432 45.116 182.732 1.00 45.55 MOL2 N ATOM 6086 H LYS B 268 33.100 46.554 176.105 1.00 0.00 MOL2 H ATOM 6087 1HZ LYS B 268 32.370 45.088 183.181 1.00 0.00 MOL2 H ATOM 6088 2HZ LYS B 268 30.778 45.651 183.341 1.00 0.00 MOL2 H ATOM 6089 3HZ LYS B 268 31.075 44.145 182.605 1.00 0.00 MOL2 H ATOM 6090 N LEU B 269 36.633 46.782 176.111 1.00 31.96 MOL2 N ATOM 6091 CA LEU B 269 37.593 46.432 175.104 1.00 32.09 MOL2 C ATOM 6092 C LEU B 269 38.367 45.298 175.757 1.00 33.93 MOL2 C ATOM 6093 O LEU B 269 39.279 45.575 176.515 1.00 35.82 MOL2 O ATOM 6094 CB LEU B 269 38.549 47.561 174.809 1.00 29.95 MOL2 C ATOM 6095 CG LEU B 269 38.189 48.997 174.534 1.00 30.29 MOL2 C ATOM 6096 CD1 LEU B 269 39.253 49.482 173.580 1.00 30.84 MOL2 C ATOM 6097 CD2 LEU B 269 36.879 49.201 173.831 1.00 28.99 MOL2 C ATOM 6098 H LEU B 269 36.845 47.529 176.714 1.00 0.00 MOL2 H ATOM 6099 N GLU B 270 38.037 44.024 175.566 1.00 36.77 MOL2 N ATOM 6100 CA GLU B 270 38.713 42.892 176.204 1.00 39.45 MOL2 C ATOM 6101 C GLU B 270 39.932 42.262 175.479 1.00 40.35 MOL2 C ATOM 6102 O GLU B 270 40.604 41.461 176.125 1.00 40.29 MOL2 O ATOM 6103 CB GLU B 270 37.623 41.794 176.492 1.00 41.97 MOL2 C ATOM 6104 CG GLU B 270 36.313 42.324 177.166 1.00 45.71 MOL2 C ATOM 6105 CD GLU B 270 35.037 41.456 177.150 1.00 47.39 MOL2 C ATOM 6106 OE1 GLU B 270 34.991 40.505 176.358 1.00 47.91 MOL2 O ATOM 6107 OE2 GLU B 270 34.092 41.741 177.917 1.00 45.86 MOL2 O ATOM 6108 H GLU B 270 37.290 43.856 174.957 1.00 0.00 MOL2 H ATOM 6109 N LYS B 271 40.372 42.441 174.221 1.00 41.81 MOL2 N ATOM 6110 CA LYS B 271 41.606 41.788 173.748 1.00 43.61 MOL2 C ATOM 6111 C LYS B 271 42.342 42.670 172.771 1.00 44.39 MOL2 C ATOM 6112 O LYS B 271 41.784 43.069 171.765 1.00 43.85 MOL2 O ATOM 6113 CB LYS B 271 41.342 40.452 173.044 1.00 44.51 MOL2 C ATOM 6114 CG LYS B 271 41.646 39.149 173.798 1.00 47.49 MOL2 C ATOM 6115 CD LYS B 271 43.170 38.932 173.996 1.00 50.98 MOL2 C ATOM 6116 CE LYS B 271 43.697 37.610 174.671 1.00 51.21 MOL2 C ATOM 6117 NZ LYS B 271 44.050 37.702 176.094 1.00 49.44 MOL2 N ATOM 6118 H LYS B 271 39.885 43.046 173.627 1.00 0.00 MOL2 H ATOM 6119 1HZ LYS B 271 44.794 38.413 176.233 1.00 0.00 MOL2 H ATOM 6120 2HZ LYS B 271 43.207 37.948 176.653 1.00 0.00 MOL2 H ATOM 6121 3HZ LYS B 271 44.401 36.775 176.412 1.00 0.00 MOL2 H ATOM 6122 N LYS B 272 43.553 43.115 173.081 1.00 47.89 MOL2 N ATOM 6123 CA LYS B 272 44.376 43.877 172.154 1.00 51.57 MOL2 C ATOM 6124 C LYS B 272 44.666 42.835 171.052 1.00 53.74 MOL2 C ATOM 6125 O LYS B 272 45.324 41.821 171.323 1.00 54.11 MOL2 O ATOM 6126 CB LYS B 272 45.678 44.339 172.859 1.00 52.81 MOL2 C ATOM 6127 CG LYS B 272 46.383 45.640 172.360 1.00 56.09 MOL2 C ATOM 6128 CD LYS B 272 47.588 46.227 173.233 1.00 61.01 MOL2 C ATOM 6129 CE LYS B 272 47.375 46.534 174.793 1.00 63.12 MOL2 C ATOM 6130 NZ LYS B 272 48.287 47.469 175.463 1.00 58.81 MOL2 N ATOM 6131 H LYS B 272 43.910 42.877 173.958 1.00 0.00 MOL2 H ATOM 6132 1HZ LYS B 272 48.239 48.396 174.997 1.00 0.00 MOL2 H ATOM 6133 2HZ LYS B 272 47.990 47.567 176.455 1.00 0.00 MOL2 H ATOM 6134 3HZ LYS B 272 49.261 47.105 175.432 1.00 0.00 MOL2 H ATOM 6135 N LEU B 273 44.088 43.002 169.846 1.00 55.13 MOL2 N ATOM 6136 CA LEU B 273 44.282 42.099 168.707 1.00 54.67 MOL2 C ATOM 6137 C LEU B 273 45.418 42.444 167.758 1.00 54.83 MOL2 C ATOM 6138 O LEU B 273 45.975 41.545 167.117 1.00 54.09 MOL2 O ATOM 6139 CB LEU B 273 43.007 42.021 167.906 1.00 53.72 MOL2 C ATOM 6140 CG LEU B 273 41.953 41.198 168.597 1.00 52.36 MOL2 C ATOM 6141 CD1 LEU B 273 40.631 41.554 167.963 1.00 51.07 MOL2 C ATOM 6142 CD2 LEU B 273 42.339 39.714 168.574 1.00 50.98 MOL2 C ATOM 6143 H LEU B 273 43.490 43.767 169.731 1.00 0.00 MOL2 H ATOM 6144 N GLY B 274 45.739 43.735 167.621 1.00 55.40 MOL2 N ATOM 6145 CA GLY B 274 46.881 44.174 166.836 1.00 57.56 MOL2 C ATOM 6146 C GLY B 274 47.106 45.662 167.060 1.00 59.95 MOL2 C ATOM 6147 O GLY B 274 46.160 46.386 167.404 1.00 59.83 MOL2 O ATOM 6148 H GLY B 274 45.164 44.419 168.025 1.00 0.00 MOL2 H ATOM 6149 N ALA B 275 48.353 46.110 166.913 1.00 62.05 MOL2 N ATOM 6150 CA ALA B 275 48.721 47.507 167.058 1.00 63.85 MOL2 C ATOM 6151 C ALA B 275 49.047 47.989 165.657 1.00 66.99 MOL2 C ATOM 6152 O ALA B 275 49.542 47.217 164.817 1.00 68.87 MOL2 O ATOM 6153 CB ALA B 275 49.972 47.681 167.887 1.00 61.65 MOL2 C ATOM 6154 H ALA B 275 49.044 45.500 166.580 1.00 0.00 MOL2 H ATOM 6155 N GLY B 276 48.682 49.246 165.395 1.00 69.58 MOL2 N ATOM 6156 CA GLY B 276 49.017 49.962 164.159 1.00 69.58 MOL2 C ATOM 6157 C GLY B 276 49.924 51.096 164.633 1.00 69.46 MOL2 C ATOM 6158 O GLY B 276 50.274 51.150 165.824 1.00 68.74 MOL2 O ATOM 6159 H GLY B 276 48.291 49.777 166.126 1.00 0.00 MOL2 H ATOM 6160 N GLN B 277 50.338 52.053 163.804 1.00 69.08 MOL2 N ATOM 6161 CA GLN B 277 51.158 53.129 164.377 1.00 68.71 MOL2 C ATOM 6162 C GLN B 277 50.296 54.291 164.919 1.00 67.69 MOL2 C ATOM 6163 O GLN B 277 50.765 55.136 165.685 1.00 67.61 MOL2 O ATOM 6164 CB GLN B 277 52.143 53.661 163.318 1.00 67.98 MOL2 C ATOM 6165 H GLN B 277 50.145 52.028 162.844 1.00 0.00 MOL2 H ATOM 6166 N PHE B 278 48.999 54.354 164.562 1.00 65.94 MOL2 N ATOM 6167 CA PHE B 278 48.099 55.435 164.983 1.00 63.34 MOL2 C ATOM 6168 C PHE B 278 46.923 54.942 165.790 1.00 59.97 MOL2 C ATOM 6169 O PHE B 278 46.037 55.676 166.227 1.00 58.89 MOL2 O ATOM 6170 CB PHE B 278 47.555 56.158 163.762 1.00 66.00 MOL2 C ATOM 6171 CG PHE B 278 48.719 56.683 162.948 1.00 68.89 MOL2 C ATOM 6172 CD1 PHE B 278 49.267 57.947 163.229 1.00 71.31 MOL2 C ATOM 6173 CD2 PHE B 278 49.282 55.877 161.953 1.00 70.13 MOL2 C ATOM 6174 CE1 PHE B 278 50.393 58.400 162.517 1.00 73.15 MOL2 C ATOM 6175 CE2 PHE B 278 50.405 56.334 161.246 1.00 73.18 MOL2 C ATOM 6176 CZ PHE B 278 50.965 57.592 161.524 1.00 73.62 MOL2 C ATOM 6177 H PHE B 278 48.640 53.665 163.971 1.00 0.00 MOL2 H ATOM 6178 N GLY B 279 46.914 53.655 166.023 1.00 57.33 MOL2 N ATOM 6179 CA GLY B 279 45.754 53.078 166.625 1.00 55.00 MOL2 C ATOM 6180 C GLY B 279 46.043 51.680 167.076 1.00 53.39 MOL2 C ATOM 6181 O GLY B 279 47.180 51.185 167.015 1.00 54.83 MOL2 O ATOM 6182 H GLY B 279 47.725 53.105 165.986 1.00 0.00 MOL2 H ATOM 6183 N GLU B 280 44.997 51.044 167.542 1.00 48.91 MOL2 N ATOM 6184 CA GLU B 280 45.118 49.707 168.026 1.00 45.89 MOL2 C ATOM 6185 C GLU B 280 43.760 49.124 167.746 1.00 42.52 MOL2 C ATOM 6186 O GLU B 280 42.795 49.886 167.660 1.00 40.73 MOL2 O ATOM 6187 CB GLU B 280 45.381 49.753 169.502 1.00 51.58 MOL2 C ATOM 6188 CG GLU B 280 46.647 50.454 169.983 1.00 58.18 MOL2 C ATOM 6189 CD GLU B 280 46.447 51.149 171.318 1.00 62.59 MOL2 C ATOM 6190 OE1 GLU B 280 45.943 52.289 171.321 1.00 66.04 MOL2 O ATOM 6191 OE2 GLU B 280 46.792 50.530 172.334 1.00 64.10 MOL2 O ATOM 6192 H GLU B 280 44.108 51.471 167.558 1.00 0.00 MOL2 H ATOM 6193 N VAL B 281 43.623 47.817 167.550 1.00 40.03 MOL2 N ATOM 6194 CA VAL B 281 42.305 47.240 167.362 1.00 37.74 MOL2 C ATOM 6195 C VAL B 281 42.145 46.235 168.480 1.00 38.22 MOL2 C ATOM 6196 O VAL B 281 42.978 45.343 168.708 1.00 36.95 MOL2 O ATOM 6197 CB VAL B 281 42.123 46.489 166.056 1.00 35.78 MOL2 C ATOM 6198 CG1 VAL B 281 40.682 46.710 165.685 1.00 32.62 MOL2 C ATOM 6199 CG2 VAL B 281 43.039 46.962 164.952 1.00 35.85 MOL2 C ATOM 6200 H VAL B 281 44.407 47.225 167.585 1.00 0.00 MOL2 H ATOM 6201 N TRP B 282 41.014 46.435 169.130 1.00 37.55 MOL2 N ATOM 6202 CA TRP B 282 40.631 45.757 170.333 1.00 38.07 MOL2 C ATOM 6203 C TRP B 282 39.383 44.969 170.146 1.00 36.26 MOL2 C ATOM 6204 O TRP B 282 38.425 45.537 169.638 1.00 37.44 MOL2 O ATOM 6205 CB TRP B 282 40.362 46.747 171.449 1.00 40.72 MOL2 C ATOM 6206 CG TRP B 282 41.634 47.108 172.162 1.00 42.54 MOL2 C ATOM 6207 CD1 TRP B 282 42.503 48.039 171.675 1.00 44.09 MOL2 C ATOM 6208 CD2 TRP B 282 42.034 46.535 173.324 1.00 45.73 MOL2 C ATOM 6209 NE1 TRP B 282 43.490 48.060 172.537 1.00 44.48 MOL2 N ATOM 6210 CE2 TRP B 282 43.253 47.189 173.533 1.00 46.36 MOL2 C ATOM 6211 CE3 TRP B 282 41.556 45.570 174.213 1.00 47.41 MOL2 C ATOM 6212 CZ2 TRP B 282 44.000 46.887 174.669 1.00 47.75 MOL2 C ATOM 6213 CZ3 TRP B 282 42.317 45.271 175.345 1.00 47.22 MOL2 C ATOM 6214 CH2 TRP B 282 43.531 45.921 175.567 1.00 48.47 MOL2 C ATOM 6215 H TRP B 282 40.357 47.037 168.740 1.00 0.00 MOL2 H ATOM 6216 HE1 TRP B 282 44.279 48.634 172.452 1.00 0.00 MOL2 H ATOM 6217 N MET B 283 39.381 43.706 170.544 1.00 34.26 MOL2 N ATOM 6218 CA MET B 283 38.171 42.908 170.578 1.00 34.03 MOL2 C ATOM 6219 C MET B 283 37.268 43.542 171.620 1.00 32.70 MOL2 C ATOM 6220 O MET B 283 37.838 44.166 172.508 1.00 33.13 MOL2 O ATOM 6221 CB MET B 283 38.531 41.510 170.964 1.00 35.52 MOL2 C ATOM 6222 CG MET B 283 37.419 40.591 170.570 1.00 37.90 MOL2 C ATOM 6223 SD MET B 283 36.736 39.730 171.996 1.00 43.03 MOL2 S ATOM 6224 CE MET B 283 37.472 38.191 171.466 1.00 40.41 MOL2 C ATOM 6225 H MET B 283 40.227 43.322 170.827 1.00 0.00 MOL2 H ATOM 6226 N ALA B 284 35.944 43.450 171.638 1.00 33.15 MOL2 N ATOM 6227 CA ALA B 284 35.149 44.234 172.576 1.00 35.11 MOL2 C ATOM 6228 C ALA B 284 33.705 43.792 172.779 1.00 36.58 MOL2 C ATOM 6229 O ALA B 284 33.198 42.944 172.039 1.00 37.66 MOL2 O ATOM 6230 CB ALA B 284 35.118 45.683 172.108 1.00 35.31 MOL2 C ATOM 6231 H ALA B 284 35.468 42.877 170.997 1.00 0.00 MOL2 H ATOM 6232 N THR B 285 32.997 44.297 173.780 1.00 38.32 MOL2 N ATOM 6233 CA THR B 285 31.600 43.949 173.948 1.00 42.52 MOL2 C ATOM 6234 C THR B 285 30.759 45.181 174.171 1.00 42.84 MOL2 C ATOM 6235 O THR B 285 30.900 45.878 175.187 1.00 45.34 MOL2 O ATOM 6236 CB THR B 285 31.444 42.958 175.148 1.00 45.98 MOL2 C ATOM 6237 OG1 THR B 285 32.169 41.780 174.765 1.00 50.69 MOL2 O ATOM 6238 CG2 THR B 285 30.001 42.557 175.470 1.00 46.98 MOL2 C ATOM 6239 H THR B 285 33.452 44.799 174.486 1.00 0.00 MOL2 H ATOM 6240 HG1 THR B 285 32.171 41.685 173.804 1.00 0.00 MOL2 H ATOM 6241 N TYR B 286 29.892 45.432 173.200 1.00 42.87 MOL2 N ATOM 6242 CA TYR B 286 28.967 46.534 173.286 1.00 44.78 MOL2 C ATOM 6243 C TYR B 286 27.831 46.011 174.148 1.00 47.19 MOL2 C ATOM 6244 O TYR B 286 27.327 44.903 173.875 1.00 48.67 MOL2 O ATOM 6245 CB TYR B 286 28.408 46.894 171.938 1.00 42.90 MOL2 C ATOM 6246 CG TYR B 286 27.359 48.003 171.956 1.00 42.26 MOL2 C ATOM 6247 CD1 TYR B 286 27.779 49.345 172.008 1.00 41.07 MOL2 C ATOM 6248 CD2 TYR B 286 25.986 47.678 171.957 1.00 41.64 MOL2 C ATOM 6249 CE1 TYR B 286 26.827 50.366 172.066 1.00 41.26 MOL2 C ATOM 6250 CE2 TYR B 286 25.031 48.700 172.015 1.00 41.78 MOL2 C ATOM 6251 CZ TYR B 286 25.463 50.034 172.064 1.00 42.55 MOL2 C ATOM 6252 OH TYR B 286 24.511 51.034 172.132 1.00 44.87 MOL2 O ATOM 6253 H TYR B 286 29.795 44.779 172.477 1.00 0.00 MOL2 H ATOM 6254 HH TYR B 286 24.872 51.855 171.793 1.00 0.00 MOL2 H ATOM 6255 N ASN B 287 27.445 46.828 175.140 1.00 48.37 MOL2 N ATOM 6256 CA ASN B 287 26.399 46.560 176.108 1.00 49.75 MOL2 C ATOM 6257 C ASN B 287 26.169 45.100 176.406 1.00 51.28 MOL2 C ATOM 6258 O ASN B 287 25.217 44.453 175.970 1.00 50.90 MOL2 O ATOM 6259 CB ASN B 287 25.064 47.178 175.674 1.00 49.77 MOL2 C ATOM 6260 CG ASN B 287 24.853 48.637 176.067 1.00 50.30 MOL2 C ATOM 6261 OD1 ASN B 287 25.554 49.244 176.874 1.00 51.53 MOL2 O ATOM 6262 ND2 ASN B 287 23.860 49.287 175.490 1.00 50.72 MOL2 N ATOM 6263 H ASN B 287 27.976 47.641 175.265 1.00 0.00 MOL2 H ATOM 6264 1HD2 ASN B 287 23.758 50.242 175.673 1.00 0.00 MOL2 H ATOM 6265 2HD2 ASN B 287 23.274 48.790 174.885 1.00 0.00 MOL2 H ATOM 6266 N LYS B 288 27.223 44.542 176.991 1.00 54.74 MOL2 N ATOM 6267 CA LYS B 288 27.196 43.206 177.583 1.00 60.17 MOL2 C ATOM 6268 C LYS B 288 26.775 41.994 176.752 1.00 60.91 MOL2 C ATOM 6269 O LYS B 288 26.710 40.878 177.281 1.00 61.34 MOL2 O ATOM 6270 CB LYS B 288 26.296 43.241 178.860 1.00 64.26 MOL2 C ATOM 6271 CG LYS B 288 26.876 43.946 180.128 1.00 68.43 MOL2 C ATOM 6272 CD LYS B 288 25.831 44.311 181.226 1.00 69.77 MOL2 C ATOM 6273 CE LYS B 288 25.127 43.180 182.010 1.00 69.92 MOL2 C ATOM 6274 NZ LYS B 288 26.016 42.453 182.906 1.00 70.88 MOL2 N ATOM 6275 H LYS B 288 28.058 45.053 177.002 1.00 0.00 MOL2 H ATOM 6276 1HZ LYS B 288 26.485 43.117 183.551 1.00 0.00 MOL2 H ATOM 6277 2HZ LYS B 288 25.464 41.762 183.449 1.00 0.00 MOL2 H ATOM 6278 3HZ LYS B 288 26.736 41.960 182.342 1.00 0.00 MOL2 H ATOM 6279 N HIS B 289 26.481 42.125 175.463 1.00 61.66 MOL2 N ATOM 6280 CA HIS B 289 25.999 40.979 174.691 1.00 62.27 MOL2 C ATOM 6281 C HIS B 289 26.572 40.902 173.277 1.00 59.93 MOL2 C ATOM 6282 O HIS B 289 26.929 39.814 172.811 1.00 60.73 MOL2 O ATOM 6283 CB HIS B 289 24.477 40.989 174.527 1.00 65.81 MOL2 C ATOM 6284 CG HIS B 289 23.523 40.615 175.678 1.00 70.20 MOL2 C ATOM 6285 ND1 HIS B 289 22.708 41.437 176.357 1.00 72.03 MOL2 N ATOM 6286 CD2 HIS B 289 23.226 39.331 176.106 1.00 71.10 MOL2 C ATOM 6287 CE1 HIS B 289 21.934 40.719 177.142 1.00 72.14 MOL2 C ATOM 6288 NE2 HIS B 289 22.255 39.453 176.984 1.00 72.04 MOL2 N ATOM 6289 H HIS B 289 26.647 42.984 175.020 1.00 0.00 MOL2 H ATOM 6290 HD1 HIS B 289 22.705 42.423 176.297 1.00 0.00 MOL2 H ATOM 6291 HE2 HIS B 289 21.885 38.713 177.515 1.00 0.00 MOL2 H ATOM 6292 N THR B 290 26.695 42.036 172.587 1.00 55.46 MOL2 N ATOM 6293 CA THR B 290 27.165 42.067 171.210 1.00 50.55 MOL2 C ATOM 6294 C THR B 290 28.690 42.157 171.106 1.00 45.75 MOL2 C ATOM 6295 O THR B 290 29.289 43.093 171.641 1.00 44.61 MOL2 O ATOM 6296 CB THR B 290 26.504 43.257 170.525 1.00 52.27 MOL2 C ATOM 6297 OG1 THR B 290 25.217 43.524 171.117 1.00 53.31 MOL2 O ATOM 6298 CG2 THR B 290 26.408 42.968 169.042 1.00 53.34 MOL2 C ATOM 6299 H THR B 290 26.505 42.890 173.023 1.00 0.00 MOL2 H ATOM 6300 HG1 THR B 290 25.411 44.016 171.920 1.00 0.00 MOL2 H ATOM 6301 N LYS B 291 29.357 41.191 170.490 1.00 41.09 MOL2 N ATOM 6302 CA LYS B 291 30.799 41.227 170.343 1.00 37.70 MOL2 C ATOM 6303 C LYS B 291 31.076 42.093 169.130 1.00 35.92 MOL2 C ATOM 6304 O LYS B 291 30.250 42.