USER MOD reduce.3.24.130724 H: found=0, std=0, add=2157, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 23-OCT-19 6T7V TITLE KEAP1 IN COMPLEX WITH PEPTIDE 8 COMPND MOL_ID: 1; COMPND 2 MOLECULE: KELCH-LIKE ECH-ASSOCIATED PROTEIN 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: KELCH DOMAIN, RESIDUES 321-609; COMPND 5 SYNONYM: CYTOSOLIC INHIBITOR OF NRF2,INRF2,KELCH-LIKE PROTEIN 19; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU; COMPND 9 CHAIN: I; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: KEAP1, INRF2, KIAA0132, KLHL19; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 0 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 1 ORGANISM_TAXID: 9606 KEYWDS KEAP1, UBIQUITINYLATION, INRF2, KIAA0132, KLHL19, PROTEROS KEYWDS 2 BIOSTRUCTURES GMBH, TRANSCRIPTION EXPDTA X-RAY DIFFRACTION AUTHOR S.COLARUSSO REVDAT 1 09-SEP-20 6T7V 0 JRNL AUTH S.COLARUSSO JRNL TITL OPTIMIZATION OF LINEAR AND CYCLIC PEPTIDE INHIBITORS OF JRNL TITL 2 KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JRNL REF BIOORG.MED.CHEM. 2020 JRNL REFN ESSN 1464-3391 JRNL DOI 10.1016/J.BMC.2020.115738 REMARK 2 REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.6.0117 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 65.32 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 94.4 REMARK 3 NUMBER OF REFLECTIONS : 10584 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 + TEST SET) : 0.207 REMARK 3 R VALUE (WORKING SET) : 0.202 REMARK 3 FREE R VALUE : 0.275 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.900 REMARK 3 FREE R VALUE TEST SET COUNT : 786 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.67 REMARK 3 REFLECTION IN BIN (WORKING SET) : 700 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 94.99 REMARK 3 BIN R VALUE (WORKING SET) : 0.3310 REMARK 3 BIN FREE R VALUE SET COUNT : 59 REMARK 3 BIN FREE R VALUE : 0.4500 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2257 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 73 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 46.89 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -2.17000 REMARK 3 B22 (A**2) : -2.17000 REMARK 3 B33 (A**2) : 3.25000 REMARK 3 B12 (A**2) : -1.08000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.749 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.351 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.284 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 13.948 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.937 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.906 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2314 ; 0.007 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1527 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3150 ; 1.133 ; 1.939 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3674 ; 0.961 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 292 ; 6.710 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 110 ;32.655 ;22.636 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 338 ;11.390 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 22 ;14.312 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 337 ; 0.073 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2664 ; 0.004 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 514 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS U VALUES : REFINED INDIVIDUALLY REMARK 4 REMARK 4 6T7V COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 23-OCT-19. REMARK 100 THE DEPOSITION ID IS D_1292104840. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-DEC-14 REMARK 200 TEMPERATURE (KELVIN) : 100.000 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SLS REMARK 200 BEAMLINE : X06SA REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11370 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.600 REMARK 200 RESOLUTION RANGE LOW (A) : 65.320 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 94.3 REMARK 200 DATA REDUNDANCY : 6.200 REMARK 200 R MERGE (I) : 0.08400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 17.7700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.81 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.7 REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 REMARK 200 R MERGE FOR SHELL (I) : 0.45100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 58.08 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.93 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM ACETATE, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 76.33133 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 38.16567 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 38.16567 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 76.33133 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1250 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12070 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 317 REMARK 465 SER A 318 REMARK 465 HIS A 319 REMARK 465 MET A 320 REMARK 465 ALA A 321 REMARK 465 PRO A 322 REMARK 465 LYS A 323 REMARK 465 VAL A 324 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 336 -47.06 66.66 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 701 DBREF 6T7V A 321 609 UNP Q14145 KEAP1_HUMAN 321 609 DBREF 6T7V I 76 84 PDB 6T7V 6T7V 76 84 SEQADV 6T7V GLY A 317 UNP Q14145 EXPRESSION TAG SEQADV 6T7V SER A 318 UNP Q14145 EXPRESSION TAG SEQADV 6T7V HIS A 319 UNP Q14145 EXPRESSION TAG SEQADV 6T7V MET A 320 UNP Q14145 EXPRESSION TAG SEQADV 6T7V ALA A 540 UNP Q14145 GLU 540 CONFLICT SEQADV 6T7V ALA A 542 UNP Q14145 GLU 542 CONFLICT SEQRES 1 A 293 GLY SER HIS MET ALA PRO LYS VAL GLY ARG LEU ILE TYR SEQRES 2 A 293 THR ALA GLY GLY TYR PHE ARG GLN SER LEU SER TYR LEU SEQRES 3 A 293 GLU ALA TYR ASN PRO SER ASP GLY THR TRP LEU ARG LEU SEQRES 4 A 293 ALA ASP LEU GLN VAL PRO ARG SER GLY LEU ALA GLY CYS SEQRES 5 A 293 VAL VAL GLY GLY LEU LEU TYR ALA VAL GLY GLY ARG ASN SEQRES 6 A 293 ASN SER PRO ASP GLY ASN THR ASP SER SER ALA LEU ASP SEQRES 7 A 293 CYS TYR ASN PRO MET THR ASN GLN TRP SER PRO CYS ALA SEQRES 8 A 293 PRO MET SER VAL PRO ARG ASN ARG ILE GLY VAL GLY VAL SEQRES 9 A 293 ILE ASP GLY HIS ILE TYR ALA VAL GLY GLY SER HIS GLY SEQRES 10 A 293 CYS ILE HIS HIS ASN SER VAL GLU ARG TYR GLU PRO GLU SEQRES 11 A 293 ARG ASP GLU TRP HIS LEU VAL ALA PRO MET LEU THR ARG SEQRES 12 A 293 ARG ILE GLY VAL GLY VAL ALA VAL LEU ASN ARG LEU LEU SEQRES 13 A 293 TYR ALA VAL GLY GLY PHE ASP GLY THR ASN ARG LEU ASN SEQRES 14 A 293 SER ALA GLU CYS TYR TYR PRO GLU ARG ASN GLU TRP ARG SEQRES 15 A 293 MET ILE THR ALA MET ASN THR ILE ARG SER GLY ALA GLY SEQRES 16 A 293 VAL CYS VAL LEU HIS ASN CYS ILE TYR ALA ALA GLY GLY SEQRES 17 A 293 TYR ASP GLY GLN ASP GLN LEU ASN SER VAL GLU ARG TYR SEQRES 18 A 293 ASP VAL ALA THR ALA THR TRP THR PHE VAL ALA PRO MET SEQRES 19 A 293 LYS HIS ARG ARG SER ALA LEU GLY ILE THR VAL HIS GLN SEQRES 20 A 293 GLY ARG ILE TYR VAL LEU GLY GLY TYR ASP GLY HIS THR SEQRES 21 A 293 PHE LEU ASP SER VAL GLU CYS TYR ASP PRO ASP THR ASP SEQRES 22 A 293 THR TRP SER GLU VAL THR ARG MET THR SER GLY ARG SER SEQRES 23 A 293 GLY VAL GLY VAL ALA VAL THR SEQRES 1 I 9 LEU ASP PRO GLU THR GLY GLU PHE LEU HET ACT A 701 4 HETNAM ACT ACETATE ION FORMUL 3 ACT C2 H3 O2 1- FORMUL 4 HOH *73(H2 O) SHEET 1 AA1 4 THR A 351 ARG A 354 0 SHEET 2 AA1 4 LEU A 342 ASN A 346 -1 N ALA A 344 O LEU A 353 SHEET 3 AA1 4 ILE A 328 ALA A 331 -1 N THR A 330 O GLU A 343 SHEET 4 AA1 4 GLY A 605 VAL A 608 -1 O GLY A 605 N ALA A 331 SHEET 1 AA2 4 ALA A 366 VAL A 370 0 SHEET 2 AA2 4 LEU A 373 VAL A 377 -1 O TYR A 375 N CYS A 368 SHEET 3 AA2 4 LEU A 393 ASN A 397 -1 O TYR A 396 N LEU A 374 SHEET 4 AA2 4 GLN A 402 PRO A 405 -1 O SER A 404 N CYS A 395 SHEET 1 AA3 2 ARG A 380 ASN A 382 0 SHEET 2 AA3 2 ASN A 387 ASP A 389 -1 O THR A 388 N ASN A 381 SHEET 1 AA4 4 GLY A 417 ILE A 421 0 SHEET 2 AA4 4 HIS A 424 VAL A 428 -1 O VAL A 428 N GLY A 417 SHEET 3 AA4 4 VAL A 440 GLU A 444 -1 O GLU A 441 N ALA A 427 SHEET 4 AA4 4 GLU A 449 LEU A 452 -1 O HIS A 451 N ARG A 442 SHEET 1 AA5 2 SER A 431 HIS A 432 0 SHEET 2 AA5 2 ILE A 435 HIS A 436 -1 O ILE A 435 N HIS A 432 SHEET 1 AA6 4 GLY A 464 LEU A 468 0 SHEET 2 AA6 4 LEU A 471 PHE A 478 -1 O LEU A 471 N LEU A 468 SHEET 3 AA6 4 ARG A 483 TYR A 491 -1 O LEU A 484 N GLY A 477 SHEET 4 AA6 4 GLU A 496 ILE A 500 -1 O ARG A 498 N CYS A 489 SHEET 1 AA7 4 GLY A 511 LEU A 515 0 SHEET 2 AA7 4 CYS A 518 ALA A 522 -1 O ALA A 522 N GLY A 511 SHEET 3 AA7 4 VAL A 534 ASP A 538 -1 O TYR A 537 N ILE A 519 SHEET 4 AA7 4 THR A 543 VAL A 547 -1 O THR A 545 N ARG A 536 SHEET 1 AA8 4 GLY A 558 VAL A 561 0 SHEET 2 AA8 4 ILE A 566 TYR A 572 -1 O TYR A 567 N THR A 560 SHEET 3 AA8 4 PHE A 577 ASP A 585 -1 O TYR A 584 N ILE A 566 SHEET 4 AA8 4 THR A 590 ARG A 596 -1 O SER A 592 N CYS A 583 SSBOND *** CYS A 434 CYS A 434 1555 5555 2.91 SITE *** AC1 5 LEU A 471 TYR A 491 PRO A 492 GLU A 493 SITE *** AC1 5 ARG A 494 CRYST1 75.430 75.430 114.497 90.00 90.00 120.00 P 32 2 1 6 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 0.013257 0.007654 0.000000 0.00000 SCALE2 0.000000 0.015308 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008734 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 588 THR OG1 : rot -83:sc= 1.89 USER MOD Set 1.2: A 590 THR OG1 : rot -63:sc= 0.696 USER MOD Set 2.1: A 552 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.2: A 580 SER OG : rot 44:sc= 1.08 USER MOD Set 3.1: A 541 THR OG1 : rot 111:sc= 0.732 USER MOD Set 3.2: A 543 THR OG1 : rot 180:sc= 0.793 USER MOD Set 4.1: A 490 TYR OH : rot -5:sc= 1.06 USER MOD Set 4.2: A 495 ASN : amide:sc= 0.892 K(o=2,f=-1.9!) USER MOD Set 5.1: A 481 THR OG1 : rot 99:sc= 0.183 USER MOD Set 5.2: A 482 ASN : amide:sc= 0.434 K(o=0.62,f=-0.32) USER MOD Set 6.1: A 458 THR OG1 : rot -160:sc= -0.0014 USER MOD Set 6.2: A 499 MET CE :methyl 153:sc= -0.0124 (180deg=0) USER MOD Set 7.1: A 396 TYR OH : rot 0:sc= 1.15 USER MOD Set 7.2: A 401 ASN : amide:sc= 0.75 K(o=1.9,f=1.2) USER MOD Set 8.1: A 338 SER OG : rot -74:sc= 0.622 USER MOD Set 8.2: A 363 SER OG : rot 110:sc= 0.736 USER MOD Set 9.1: A 330 THR OG1 : rot 159:sc= 0 USER MOD Set 9.2: A 597 MET CE :methyl 173:sc= -0.0143 (180deg=-0.0885) USER MOD Single : A 329 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 TYR OH : rot -78:sc= 0.466 USER MOD Single : A 337 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 340 SER OG : rot 180:sc=-0.00763 USER MOD Single : A 341 TYR OH : rot 180:sc= 0 USER MOD Single : A 345 TYR OH : rot 180:sc= 0 USER MOD Single : A 346 ASN : amide:sc= -0.18 K(o=-0.18,f=-3.4) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 351 THR OG1 : rot -81:sc= 1.21 USER MOD Single : A 359 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 368 CYS SG : rot 150:sc= -0.167 USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= 0.701 K(o=0.7,f=-0.94) USER MOD Single : A 382 ASN : amide:sc= 0.366 K(o=0.37,f=-0.81) USER MOD Single : A 383 SER OG : rot -22:sc= 0.178 USER MOD Single : A 387 ASN : amide:sc= -3.18! K(o=-3.2!,f=-1.5) USER MOD Single : A 388 THR OG1 : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 180:sc= 0.285 USER MOD Single : A 391 SER OG : rot 66:sc= 0.985 USER MOD Single : A 395 CYS SG : rot 114:sc= 0.0151 USER MOD Single : A 397 ASN : amide:sc= -0.141 K(o=-0.14,f=-4.5!) USER MOD Single : A 399 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 400 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 402 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 406 CYS SG : rot 180:sc= 0 USER MOD Single : A 409 MET CE :methyl -152:sc= -0.0589 (180deg=-1.35) USER MOD Single : A 410 SER OG : rot -51:sc= 0.66 USER MOD Single : A 414 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.4) USER MOD Single : A 424 HIS : no HD1:sc= 0.348 X(o=0.35,f=-0.035) USER MOD Single : A 426 TYR OH : rot 180:sc= 1.19 USER MOD Single : A 431 SER OG : rot 180:sc= 0 USER MOD Single : A 432 HIS : no HE2:sc= 0.41 K(o=0.41,f=-1.7!) USER MOD Single : A 434 CYS SG : rot 180:sc= 0 USER MOD Single : A 436 HIS : no HD1:sc= -0.115 K(o=-0.12,f=-0.94) USER MOD Single : A 437 HIS : no HD1:sc= 0.218 K(o=0.22,f=-0.96) USER MOD Single : A 438 ASN : amide:sc= -0.0729 K(o=-0.073,f=-3.1) USER MOD Single : A 439 SER OG : rot 180:sc= 0.313 USER MOD Single : A 443 TYR OH : rot -2:sc= 1.19 USER MOD Single : A 451 HIS : no HD1:sc= 0.0976 K(o=0.098,f=-0.5) USER MOD Single : A 456 MET CE :methyl -163:sc= -0.0189 (180deg=-0.571) USER MOD Single : A 469 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 473 TYR OH : rot -175:sc= 1.28 USER MOD Single : A 485 ASN : amide:sc= 0.294 K(o=0.29,f=-3.3!) USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 489 CYS SG : rot 89:sc= -0.138 USER MOD Single : A 491 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot -175:sc= 1.32 USER MOD Single : A 503 MET CE :methyl -147:sc= -0.415 (180deg=-2.57!) USER MOD Single : A 504 ASN : amide:sc= 0.642 K(o=0.64,f=-0.34) USER MOD Single : A 505 THR OG1 : rot 180:sc= 0 USER MOD Single : A 508 SER OG : rot -100:sc= 1.03 USER MOD Single : A 513 CYS SG : rot 150:sc= -0.121 USER MOD Single : A 516 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.11) USER MOD Single : A 517 ASN : amide:sc= -0.0386 X(o=-0.039,f=-0.048) USER MOD Single : A 518 CYS SG : rot 180:sc= 0 USER MOD Single : A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 525 TYR OH : rot -42:sc= 0.706 USER MOD Single : A 528 GLN : amide:sc= -0.0958 X(o=-0.096,f=-0.096) USER MOD Single : A 530 GLN : amide:sc= -0.0939 X(o=-0.094,f=0) USER MOD Single : A 532 ASN : amide:sc= 0.275 K(o=0.28,f=-4.1!) USER MOD Single : A 533 SER OG : rot 180:sc= 0.00189 USER MOD Single : A 537 TYR OH : rot 180:sc= 0 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 MET CE :methyl -157:sc= -0.252 (180deg=-1.03) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 555 SER OG : rot -86:sc= 1.17 USER MOD Single : A 560 THR OG1 : rot 126:sc= -0.809 USER MOD Single : A 562 HIS : no HD1:sc= 0.97 K(o=0.97,f=-4.3!) USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 TYR OH : rot -102:sc= 1.31 USER MOD Single : A 575 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 583 CYS SG : rot 112:sc= 0.0958 USER MOD Single : A 584 TYR OH : rot -15:sc= 1.29 USER MOD Single : A 592 SER OG : rot 180:sc= 0 USER MOD Single : A 595 THR OG1 : rot 150:sc= -0.147 USER MOD Single : A 598 THR OG1 : rot -146:sc= 0.927 USER MOD Single : A 599 SER OG : rot 180:sc= 0.945 USER MOD Single : A 602 SER OG : rot 177:sc= 0.598 USER MOD Single : A 609 THR OG1 : rot -28:sc= 0.318 USER MOD Single : I 80 THR OG1 : rot -91:sc= -0.0147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 325 -2.884 43.274 9.036 1.00 60.19 N ATOM 2 CA GLY A 325 -1.594 42.585 8.734 1.00 72.10 C ATOM 3 C GLY A 325 -1.339 41.403 9.651 1.00 77.48 C ATOM 4 O GLY A 325 -0.249 41.265 10.218 1.00 79.60 O ATOM 0 HA2 GLY A 325 -1.601 42.281 7.813 1.00 72.10 H new ATOM 0 HA3 GLY A 325 -0.865 43.219 8.818 1.00 72.10 H new ATOM 5 N ARG A 326 -2.350 40.547 9.781 1.00 74.82 N ATOM 6 CA ARG A 326 -2.300 39.374 10.660 1.00 68.26 C ATOM 7 C ARG A 326 -1.655 38.220 9.894 1.00 56.74 C ATOM 8 O ARG A 326 -1.792 38.152 8.669 1.00 52.10 O ATOM 9 CB ARG A 326 -3.718 38.993 11.102 1.00 74.19 C ATOM 10 CG ARG A 326 -4.498 40.121 11.780 1.00 82.04 C ATOM 11 CD ARG A 326 -6.004 40.030 11.545 1.00 87.54 C ATOM 12 NE ARG A 326 -6.639 38.985 12.352 1.00 93.23 N ATOM 13 CZ ARG A 326 -6.896 39.066 13.662 1.00 95.12 C ATOM 14 NH1 ARG A 326 -6.571 40.150 14.370 1.00102.76 N ATOM 15 NH2 ARG A 326 -7.482 38.042 14.280 1.00 91.78 N ATOM 0 H ARG A 326 -3.094 40.630 9.357 1.00 74.82 H new ATOM 0 HA ARG A 326 -1.777 39.573 11.452 1.00 68.26 H new ATOM 0 HB2 ARG A 326 -4.216 38.692 10.326 1.00 74.19 H new ATOM 0 HB3 ARG A 326 -3.663 38.241 11.713 1.00 74.19 H new ATOM 0 HG2 ARG A 326 -4.323 40.101 12.734 1.00 82.04 H new ATOM 0 HG3 ARG A 326 -4.175 40.974 11.450 1.00 82.04 H new ATOM 0 HD2 ARG A 326 -6.412 40.886 11.751 1.00 87.54 H new ATOM 0 HD3 ARG A 326 -6.171 39.855 10.606 1.00 87.54 H new ATOM 0 HE ARG A 326 -6.865 38.259 11.950 1.00 93.23 H new ATOM 0 HH11 ARG A 326 -6.188 40.816 13.985 1.00102.76 H new ATOM 0 HH12 ARG A 326 -6.745 40.182 15.212 1.00102.76 H new ATOM 0 HH21 ARG A 326 -7.692 37.336 13.837 1.00 91.78 H new ATOM 0 HH22 ARG A 326 -7.650 38.087 15.122 1.00 91.78 H new ATOM 16 N LEU A 327 -0.955 37.329 10.604 1.00 43.90 N ATOM 17 CA LEU A 327 -0.260 36.178 9.979 1.00 38.03 C ATOM 18 C LEU A 327 -1.052 34.871 10.113 1.00 38.29 C ATOM 19 O LEU A 327 -1.876 34.735 11.018 1.00 45.46 O ATOM 20 CB LEU A 327 1.138 35.992 10.589 1.00 37.87 C ATOM 21 CG LEU A 327 2.004 37.248 10.788 1.00 39.87 C ATOM 22 CD1 LEU A 327 3.347 36.901 11.418 1.00 35.97 C ATOM 23 CD2 LEU A 327 2.196 38.002 9.481 1.00 34.55 C ATOM 0 H LEU A 327 -0.866 37.369 11.458 1.00 43.90 H new ATOM 0 HA LEU A 327 -0.182 36.383 9.034 1.00 38.03 H new ATOM 0 HB2 LEU A 327 1.032 35.562 11.452 1.00 37.87 H new ATOM 0 HB3 LEU A 327 1.631 35.376 10.024 1.00 37.87 H new ATOM 0 HG LEU A 327 1.530 37.832 11.401 1.00 39.87 H new ATOM 0 HD11 LEU A 327 3.870 37.710 11.531 1.00 35.97 H new ATOM 0 HD12 LEU A 327 3.202 36.487 12.283 1.00 35.97 H new ATOM 0 HD13 LEU A 327 3.826 36.285 10.841 1.00 35.97 H new ATOM 0 HD21 LEU A 327 2.744 38.787 9.637 1.00 34.55 H new ATOM 0 HD22 LEU A 327 2.634 37.425 8.836 1.00 34.55 H new ATOM 0 HD23 LEU A 327 1.332 38.276 9.135 1.00 34.55 H new ATOM 24 N ILE A 328 -0.800 33.924 9.204 1.00 40.36 N ATOM 25 CA ILE A 328 -1.315 32.552 9.313 1.00 41.05 C ATOM 26 C ILE A 328 -0.246 31.657 9.946 1.00 42.37 C ATOM 27 O ILE A 328 0.688 31.236 9.270 1.00 43.19 O ATOM 28 CB ILE A 328 -1.694 31.953 7.938 1.00 43.12 C ATOM 29 CG1 ILE A 328 -2.789 32.768 7.254 1.00 41.81 C ATOM 30 CG2 ILE A 328 -2.172 30.514 8.102 1.00 44.90 C ATOM 31 CD1 ILE A 328 -3.101 32.279 5.857 1.00 43.74 C ATOM 0 H ILE A 328 -0.322 34.060 8.502 1.00 40.36 H new ATOM 0 HA ILE A 328 -2.115 32.590 9.860 1.00 41.05 H new ATOM 0 HB ILE A 328 -0.899 31.976 7.383 1.00 43.12 H new ATOM 0 HG12 ILE A 328 -3.596 32.733 7.792 1.00 41.81 H new ATOM 0 HG13 ILE A 328 -2.516 33.698 7.213 1.00 41.81 H new ATOM 0 HG21 ILE A 328 -2.406 30.150 7.234 1.00 44.90 H new ATOM 0 HG22 ILE A 328 -1.464 29.980 8.496 1.00 44.90 H new ATOM 0 HG23 ILE A 328 -2.950 30.495 8.681 1.00 44.90 H new ATOM 0 HD11 ILE A 328 -3.800 32.829 5.470 1.00 43.74 H new ATOM 0 HD12 ILE A 328 -2.303 32.337 5.308 1.00 43.74 H new ATOM 0 HD13 ILE A 328 -3.400 31.357 5.896 1.00 43.74 H new ATOM 32 N TYR A 329 -0.392 31.353 11.233 1.00 39.71 N ATOM 33 CA TYR A 329 0.568 30.489 11.931 1.00 43.29 C ATOM 34 C TYR A 329 0.285 29.021 11.605 1.00 43.71 C ATOM 35 O TYR A 329 -0.870 28.642 11.443 1.00 50.86 O ATOM 36 CB TYR A 329 0.528 30.726 13.447 1.00 45.33 C ATOM 37 CG TYR A 329 1.003 32.113 13.863 1.00 47.03 C ATOM 38 CD1 TYR A 329 0.159 33.222 13.762 1.00 47.91 C ATOM 39 CD2 TYR A 329 2.293 32.320 14.354 1.00 49.52 C ATOM 40 CE1 TYR A 329 0.580 34.486 14.131 1.00 49.45 C ATOM 41 CE2 TYR A 329 2.723 33.590 14.728 1.00 50.85 C ATOM 42 CZ TYR A 329 1.860 34.665 14.615 1.00 51.63 C ATOM 43 OH TYR A 329 2.264 35.922 14.982 1.00 54.81 O ATOM 0 H TYR A 329 -1.039 31.635 11.724 1.00 39.71 H new ATOM 0 HA TYR A 329 1.460 30.712 11.622 1.00 43.29 H new ATOM 0 HB2 TYR A 329 -0.380 30.596 13.763 1.00 45.33 H new ATOM 0 HB3 TYR A 329 1.079 30.059 13.885 1.00 45.33 H new ATOM 0 HD1 TYR A 329 -0.706 33.107 13.439 1.00 47.91 H new ATOM 0 HD2 TYR A 329 2.874 31.598 14.433 1.00 49.52 H new ATOM 0 HE1 TYR A 329 0.004 35.212 14.054 1.00 49.45 H new ATOM 0 HE2 TYR A 329 3.586 33.715 15.052 1.00 50.85 H new ATOM 0 HH TYR A 329 3.057 35.892 15.258 1.00 54.81 H new ATOM 44 N THR A 330 1.344 28.217 11.474 1.00 46.52 N ATOM 45 CA THR A 330 1.233 26.760 11.297 1.00 40.57 C ATOM 46 C THR A 330 2.211 26.041 12.233 1.00 39.91 C ATOM 47 O THR A 330 3.409 26.307 12.198 1.00 41.43 O ATOM 48 CB THR A 330 1.460 26.310 9.827 1.00 41.42 C ATOM 49 OG1 THR A 330 1.434 24.880 9.751 1.00 37.67 O ATOM 50 CG2 THR A 330 2.790 26.801 9.273 1.00 38.85 C ATOM 0 H THR A 330 2.155 28.502 11.485 1.00 46.52 H new ATOM 0 HA THR A 330 0.323 26.515 11.525 1.00 40.57 H new ATOM 0 HB THR A 330 0.747 26.698 9.296 1.00 41.42 H new ATOM 0 HG1 THR A 330 1.267 24.644 8.962 1.00 37.67 H new ATOM 0 HG21 THR A 330 2.891 26.499 8.357 1.00 38.85 H new ATOM 0 HG22 THR A 330 2.813 27.770 9.298 1.00 38.85 H new ATOM 0 HG23 THR A 330 3.515 26.447 9.811 1.00 38.85 H new ATOM 51 N ALA A 331 1.690 25.137 13.062 1.00 39.35 N ATOM 52 CA ALA A 331 2.486 24.444 14.072 1.00 43.77 C ATOM 53 C ALA A 331 2.481 22.932 13.851 1.00 44.85 C ATOM 54 O ALA A 331 1.416 22.319 13.730 1.00 41.54 O ATOM 55 CB ALA A 331 1.966 24.763 15.467 1.00 35.52 C ATOM 0 H ALA A 331 0.861 24.908 13.053 1.00 39.35 H new ATOM 0 HA ALA A 331 3.400 24.758 13.990 1.00 43.77 H new ATOM 0 HB1 ALA A 331 2.503 24.297 16.127 1.00 35.52 H new ATOM 0 HB2 ALA A 331 2.021 25.719 15.622 1.00 35.52 H new ATOM 0 HB3 ALA A 331 1.042 24.477 15.542 1.00 35.52 H new ATOM 56 N GLY A 332 3.677 22.342 13.811 1.00 38.57 N ATOM 57 CA GLY A 332 3.835 20.892 13.851 1.00 37.11 C ATOM 58 C GLY A 332 3.499 20.230 12.537 1.00 37.85 C ATOM 59 O GLY A 332 3.572 20.862 11.476 1.00 45.86 O ATOM 0 H GLY A 332 4.419 22.774 13.760 1.00 38.57 H new ATOM 0 HA2 GLY A 332 4.750 20.677 14.092 1.00 37.11 H new ATOM 0 HA3 GLY A 332 3.265 20.528 14.547 1.00 37.11 H new ATOM 60 N GLY A 333 3.118 18.960 12.619 1.00 36.36 N ATOM 61 CA GLY A 333 2.808 18.144 11.445 1.00 42.42 C ATOM 62 C GLY A 333 3.683 16.903 11.383 1.00 44.61 C ATOM 63 O GLY A 333 4.424 16.604 12.327 1.00 37.49 O ATOM 0 H GLY A 333 3.031 18.541 13.365 1.00 36.36 H new ATOM 0 HA2 GLY A 333 1.874 17.882 11.469 1.00 42.42 H new ATOM 0 HA3 GLY A 333 2.934 18.671 10.641 1.00 42.42 H new ATOM 64 N TYR A 334 3.591 16.189 10.262 1.00 46.90 N ATOM 65 CA TYR A 334 4.309 14.935 10.055 1.00 53.11 C ATOM 66 C TYR A 334 5.012 14.916 8.702 1.00 53.66 C ATOM 67 O TYR A 334 4.419 15.266 7.692 1.00 59.01 O ATOM 68 CB TYR A 334 3.331 13.760 10.138 1.00 50.52 C ATOM 69 CG TYR A 334 3.961 12.383 10.040 1.00 47.98 C ATOM 70 CD1 TYR A 334 4.272 11.652 11.188 1.00 58.64 C ATOM 71 CD2 TYR A 334 4.212 11.789 8.799 1.00 49.92 C ATOM 72 CE1 TYR A 334 4.836 10.380 11.104 1.00 50.05 C ATOM 73 CE2 TYR A 334 4.773 10.520 8.707 1.00 50.29 C ATOM 74 CZ TYR A 334 5.082 9.818 9.862 1.00 43.55 C ATOM 75 OH TYR A 334 5.640 8.561 9.777 1.00 42.34 O ATOM 0 H TYR A 334 3.104 16.423 9.593 1.00 46.90 H new ATOM 0 HA TYR A 334 4.982 14.856 10.749 1.00 53.11 H new ATOM 0 HB2 TYR A 334 2.848 13.819 10.977 1.00 50.52 H new ATOM 0 HB3 TYR A 334 2.677 13.852 9.427 1.00 50.52 H new ATOM 0 HD1 TYR A 334 4.100 12.021 12.024 1.00 58.64 H new ATOM 0 HD2 TYR A 334 4.000 12.251 8.021 1.00 49.92 H new ATOM 0 HE1 TYR A 334 5.046 9.911 11.879 1.00 50.05 H new ATOM 0 HE2 TYR A 334 4.940 10.143 7.873 1.00 50.29 H new ATOM 0 HH TYR A 334 6.465 8.610 9.925 1.00 42.34 H new ATOM 76 N PHE A 335 6.281 14.508 8.709 1.00 60.76 N ATOM 77 CA PHE A 335 6.992 14.052 7.507 1.00 57.41 C ATOM 78 C PHE A 335 8.078 13.086 7.979 1.00 59.19 C ATOM 79 O PHE A 335 9.052 13.518 8.598 1.00 50.45 O ATOM 80 CB PHE A 335 7.599 15.229 6.741 1.00 54.91 C ATOM 81 CG PHE A 335 8.349 14.825 5.507 1.00 51.59 C ATOM 82 CD1 PHE A 335 7.667 14.363 4.387 1.00 57.87 C ATOM 83 CD2 PHE A 335 9.736 14.901 5.460 1.00 54.74 C ATOM 84 CE1 PHE A 335 8.351 13.987 3.240 1.00 55.33 C ATOM 85 CE2 PHE A 335 10.427 14.528 4.315 1.00 58.37 C ATOM 86 CZ PHE A 335 9.734 14.068 3.205 1.00 55.75 C ATOM 0 H PHE A 335 6.762 14.487 9.421 1.00 60.76 H new ATOM 0 HA PHE A 335 6.382 13.614 6.894 1.00 57.41 H new ATOM 0 HB2 PHE A 335 6.890 15.842 6.492 1.00 54.91 H new ATOM 0 HB3 PHE A 335 8.199 15.713 7.330 1.00 54.91 H new ATOM 0 HD1 PHE A 335 6.739 14.305 4.407 1.00 57.87 H new ATOM 0 HD2 PHE A 335 10.206 15.205 6.203 1.00 54.74 H new ATOM 0 HE1 PHE A 335 7.883 13.681 2.497 1.00 55.33 H new ATOM 0 HE2 PHE A 335 11.355 14.587 4.292 1.00 58.37 H new ATOM 0 HZ PHE A 335 10.196 13.815 2.439 1.00 55.75 H new ATOM 87 N ARG A 336 7.873 11.787 7.741 1.00 62.38 N ATOM 88 CA ARG A 336 8.676 10.688 8.328 1.00 56.76 C ATOM 89 C ARG A 336 8.509 10.549 9.855 1.00 53.48 C ATOM 90 O ARG A 336 8.328 9.438 10.366 1.00 53.30 O ATOM 91 CB ARG A 336 10.166 10.773 7.942 1.00 65.26 C ATOM 92 CG ARG A 336 10.418 10.786 6.441 1.00 68.06 C ATOM 93 CD ARG A 336 11.881 11.053 6.104 1.00 74.26 C ATOM 94 NE ARG A 336 12.055 11.457 4.704 1.00 85.70 N ATOM 95 CZ ARG A 336 13.188 11.910 4.161 1.00 85.30 C ATOM 96 NH1 ARG A 336 14.300 12.046 4.885 1.00 86.28 N ATOM 97 NH2 ARG A 336 13.208 12.241 2.868 1.00 79.93 N ATOM 0 H ARG A 336 7.248 11.506 7.221 1.00 62.38 H new ATOM 0 HA ARG A 336 8.313 9.879 7.934 1.00 56.76 H new ATOM 0 HB2 ARG A 336 10.546 11.576 8.331 1.00 65.26 H new ATOM 0 HB3 ARG A 336 10.635 10.019 8.333 1.00 65.26 H new ATOM 0 HG2 ARG A 336 10.151 9.934 6.063 1.00 68.06 H new ATOM 0 HG3 ARG A 336 9.863 11.466 6.028 1.00 68.06 H new ATOM 0 HD2 ARG A 336 12.225 11.749 6.686 1.00 74.26 H new ATOM 0 HD3 ARG A 336 12.403 10.254 6.277 1.00 74.26 H new ATOM 0 HE ARG A 336 11.369 11.397 4.189 1.00 85.70 H new ATOM 0 HH11 ARG A 336 14.297 11.840 5.720 1.00 86.28 H new ATOM 0 HH12 ARG A 336 15.020 12.339 4.517 1.00 86.28 H new ATOM 0 HH21 ARG A 336 12.496 12.162 2.393 1.00 79.93 H new ATOM 0 HH22 ARG A 336 13.933 12.534 2.510 1.00 79.93 H new ATOM 98 N GLN A 337 8.590 11.666 10.571 1.00 54.80 N ATOM 99 CA GLN A 337 8.310 11.724 12.005 1.00 52.67 C ATOM 100 C GLN A 337 7.522 12.988 12.350 1.00 56.78 C ATOM 101 O GLN A 337 7.362 13.878 11.504 1.00 51.89 O ATOM 102 CB GLN A 337 9.621 11.676 12.792 1.00 55.57 C ATOM 103 CG GLN A 337 10.569 12.841 12.527 1.00 53.74 C ATOM 104 CD GLN A 337 11.978 12.567 13.006 1.00 54.57 C ATOM 105 OE1 GLN A 337 12.592 11.570 12.627 1.00 64.78 O ATOM 106 NE2 GLN A 337 12.504 13.458 13.835 1.00 61.91 N ATOM 0 H GLN A 337 8.813 12.425 10.233 1.00 54.80 H new ATOM 0 HA GLN A 337 7.769 10.957 12.249 1.00 52.67 H new ATOM 0 HB2 GLN A 337 9.414 11.653 13.739 1.00 55.57 H new ATOM 0 HB3 GLN A 337 10.080 10.848 12.581 1.00 55.57 H new ATOM 0 HG2 GLN A 337 10.586 13.030 11.576 1.00 53.74 H new ATOM 0 HG3 GLN A 337 10.230 13.636 12.968 1.00 53.74 H new ATOM 0 HE21 GLN A 337 12.044 14.143 14.078 1.00 61.91 H new ATOM 0 HE22 GLN A 337 13.305 13.351 14.130 1.00 61.91 H new ATOM 107 N SER A 338 7.027 13.059 13.588 1.00 56.64 N ATOM 108 CA SER A 338 6.321 14.254 14.070 1.00 49.66 C ATOM 109 C SER A 338 7.294 15.425 14.204 1.00 55.06 C ATOM 110 O SER A 338 8.447 15.238 14.614 1.00 59.44 O ATOM 111 CB SER A 338 5.611 13.993 15.399 1.00 42.17 C ATOM 112 OG SER A 338 4.508 13.125 15.217 1.00 46.07 O ATOM 0 H SER A 338 7.089 12.426 14.167 1.00 56.64 H new ATOM 0 HA SER A 338 5.642 14.481 13.416 1.00 49.66 H new ATOM 0 HB2 SER A 338 6.234 13.603 16.032 1.00 42.17 H new ATOM 0 HB3 SER A 338 5.308 14.832 15.779 1.00 42.17 H new ATOM 0 HG SER A 338 3.881 13.542 14.844 1.00 46.07 H new ATOM 113 N LEU A 339 6.803 16.620 13.866 1.00 52.72 N ATOM 114 CA LEU A 339 7.628 17.814 13.684 1.00 47.62 C ATOM 115 C LEU A 339 7.405 18.866 14.769 1.00 53.23 C ATOM 116 O LEU A 339 6.335 18.913 15.394 1.00 65.00 O ATOM 117 CB LEU A 339 7.332 18.424 12.309 1.00 49.75 C ATOM 118 CG LEU A 339 7.415 17.465 11.118 1.00 49.62 C ATOM 119 CD1 LEU A 339 7.195 18.208 9.809 1.00 49.79 C ATOM 120 CD2 LEU A 339 8.745 16.726 11.112 1.00 37.18 C ATOM 0 H LEU A 339 5.965 16.760 13.734 1.00 52.72 H new ATOM 0 HA LEU A 339 8.555 17.537 13.748 1.00 47.62 H new ATOM 0 HB2 LEU A 339 6.442 18.809 12.330 1.00 49.75 H new ATOM 0 HB3 LEU A 339 7.953 19.154 12.158 1.00 49.75 H new ATOM 0 HG LEU A 339 6.708 16.807 11.209 1.00 49.62 H new ATOM 0 HD11 LEU A 339 7.252 17.584 9.069 1.00 49.79 H new ATOM 0 HD12 LEU A 339 6.318 18.623 9.815 1.00 49.79 H new ATOM 0 HD13 LEU A 339 7.875 18.892 9.707 1.00 49.79 H new ATOM 0 HD21 LEU A 339 8.778 16.125 10.352 1.00 37.18 H new ATOM 0 HD22 LEU A 339 9.471 17.366 11.049 1.00 37.18 H new ATOM 0 HD23 LEU A 339 8.835 16.215 11.932 1.00 37.18 H new ATOM 121 N SER A 340 8.424 19.708 14.974 1.00 51.10 N ATOM 122 CA SER A 340 8.399 20.786 15.976 1.00 48.73 C ATOM 123 C SER A 340 8.245 22.190 15.367 1.00 55.43 C ATOM 124 O SER A 340 8.260 23.176 16.107 1.00 54.52 O ATOM 125 CB SER A 340 9.687 20.759 16.804 1.00 45.53 C ATOM 126 OG SER A 340 9.875 19.513 17.437 1.00 44.99 O ATOM 0 H SER A 340 9.159 19.670 14.530 1.00 51.10 H new ATOM 0 HA SER A 340 7.619 20.618 16.528 1.00 48.73 H new ATOM 0 HB2 SER A 340 10.445 20.948 16.229 1.00 45.53 H new ATOM 0 HB3 SER A 340 9.657 21.461 17.473 1.00 45.53 H new ATOM 0 HG SER A 340 10.588 19.529 17.881 1.00 44.99 H new ATOM 127 N TYR A 341 8.085 22.292 14.043 1.00 48.36 N ATOM 128 CA TYR A 341 8.079 23.597 13.367 1.00 49.58 C ATOM 129 C TYR A 341 6.981 24.521 13.903 1.00 56.94 C ATOM 130 O TYR A 341 5.904 24.058 14.279 1.00 55.42 O ATOM 131 CB TYR A 341 7.882 23.458 11.849 1.00 53.60 C ATOM 132 CG TYR A 341 8.876 22.568 11.121 1.00 61.09 C ATOM 133 CD1 TYR A 341 10.253 22.655 11.363 1.00 69.98 C ATOM 134 CD2 TYR A 341 8.437 21.653 10.164 1.00 56.76 C ATOM 135 CE1 TYR A 341 11.154 21.839 10.687 1.00 67.54 C ATOM 136 CE2 TYR A 341 9.328 20.839 9.481 1.00 70.41 C ATOM 137 CZ TYR A 341 10.683 20.931 9.742 1.00 72.49 C ATOM 138 OH TYR A 341 11.551 20.116 9.050 1.00 56.47 O ATOM 0 H TYR A 341 7.978 21.619 13.518 1.00 48.36 H new ATOM 0 HA TYR A 341 8.949 23.985 13.551 1.00 49.58 H new ATOM 0 HB2 TYR A 341 6.990 23.114 11.688 1.00 53.60 H new ATOM 0 HB3 TYR A 341 7.920 24.343 11.454 1.00 53.60 H new ATOM 0 HD1 TYR A 341 10.570 23.268 11.986 1.00 69.98 H new ATOM 0 HD2 TYR A 341 7.528 21.588 9.980 1.00 56.76 H new ATOM 0 HE1 TYR A 341 12.065 21.899 10.865 1.00 67.54 H new ATOM 0 HE2 TYR A 341 9.015 20.233 8.849 1.00 70.41 H new ATOM 0 HH TYR A 341 11.117 19.628 8.522 1.00 56.47 H new ATOM 139 N LEU A 342 7.292 25.814 13.985 1.00 55.44 N ATOM 140 CA LEU A 342 6.281 26.871 14.065 1.00 44.01 C ATOM 141 C LEU A 342 6.673 27.910 13.029 1.00 45.20 C ATOM 142 O LEU A 342 7.767 28.473 13.096 1.00 45.25 O ATOM 143 CB LEU A 342 6.208 27.509 15.452 1.00 46.14 C ATOM 144 CG LEU A 342 5.146 28.614 15.634 1.00 52.32 C ATOM 145 CD1 LEU A 342 3.736 28.059 15.475 1.00 43.27 C ATOM 146 CD2 LEU A 342 5.305 29.322 16.976 1.00 45.47 C ATOM 0 H LEU A 342 8.101 26.105 13.996 1.00 55.44 H new ATOM 0 HA LEU A 342 5.401 26.500 13.898 1.00 44.01 H new ATOM 0 HB2 LEU A 342 6.036 26.809 16.101 1.00 46.14 H new ATOM 0 HB3 LEU A 342 7.078 27.883 15.662 1.00 46.14 H new ATOM 0 HG LEU A 342 5.288 29.270 14.934 1.00 52.32 H new ATOM 0 HD11 LEU A 342 3.091 28.774 15.594 1.00 43.27 H new ATOM 0 HD12 LEU A 342 3.636 27.678 14.588 1.00 43.27 H new ATOM 0 HD13 LEU A 342 3.582 27.371 16.141 1.00 43.27 H new ATOM 0 HD21 LEU A 342 4.626 30.009 17.062 1.00 45.47 H new ATOM 0 HD22 LEU A 342 5.206 28.679 17.695 1.00 45.47 H new ATOM 0 HD23 LEU A 342 6.184 29.729 17.025 1.00 45.47 H new ATOM 147 N GLU A 343 5.787 28.138 12.064 1.00 44.87 N ATOM 148 CA GLU A 343 6.051 29.043 10.954 1.00 45.72 C ATOM 149 C GLU A 343 4.818 29.896 10.677 1.00 45.98 C ATOM 150 O GLU A 343 3.696 29.458 10.919 1.00 59.49 O ATOM 151 CB GLU A 343 6.464 28.240 9.712 1.00 48.82 C ATOM 152 CG GLU A 343 7.850 27.610 9.831 1.00 53.64 C ATOM 153 CD GLU A 343 8.276 26.833 8.596 1.00 52.87 C ATOM 154 OE1 GLU A 343 7.791 25.701 8.409 1.00 61.70 O ATOM 155 OE2 GLU A 343 9.119 27.340 7.825 1.00 56.67 O ATOM 0 H GLU A 343 5.011 27.769 12.036 1.00 44.87 H new ATOM 0 HA GLU A 343 6.783 29.636 11.186 1.00 45.72 H new ATOM 0 HB2 GLU A 343 5.810 27.541 9.555 1.00 48.82 H new ATOM 0 HB3 GLU A 343 6.447 28.823 8.937 1.00 48.82 H new ATOM 0 HG2 GLU A 343 8.500 28.309 10.004 1.00 53.64 H new ATOM 0 HG3 GLU A 343 7.862 27.015 10.597 1.00 53.64 H new ATOM 156 N ALA A 344 5.040 31.115 10.191 1.00 41.02 N ATOM 157 CA ALA A 344 3.964 32.063 9.910 1.00 41.87 C ATOM 158 C ALA A 344 4.096 32.569 8.487 1.00 42.40 C ATOM 159 O ALA A 344 5.205 32.810 8.025 1.00 53.26 O ATOM 160 CB ALA A 344 4.013 33.229 10.887 1.00 42.56 C ATOM 0 H ALA A 344 5.825 31.418 10.014 1.00 41.02 H new ATOM 0 HA ALA A 344 3.111 31.613 10.014 1.00 41.87 H new ATOM 0 HB1 ALA A 344 3.294 33.849 10.688 1.00 42.56 H new ATOM 0 HB2 ALA A 344 3.912 32.897 11.793 1.00 42.56 H new ATOM 0 HB3 ALA A 344 4.865 33.686 10.804 1.00 42.56 H new ATOM 161 N TYR A 345 2.961 32.726 7.809 1.00 43.68 N ATOM 162 CA TYR A 345 2.903 33.235 6.445 1.00 46.71 C ATOM 163 C TYR A 345 2.141 34.553 6.436 1.00 47.45 C ATOM 164 O TYR A 345 1.108 34.672 7.092 1.00 54.54 O ATOM 165 CB TYR A 345 2.201 32.218 5.537 1.00 54.64 C ATOM 166 CG TYR A 345 2.000 32.676 4.098 1.00 50.94 C ATOM 167 CD1 TYR A 345 3.089 32.839 3.237 1.00 52.76 C ATOM 168 CD2 TYR A 345 0.721 32.940 3.598 1.00 49.68 C ATOM 169 CE1 TYR A 345 2.910 33.254 1.920 1.00 56.45 C ATOM 170 CE2 TYR A 345 0.532 33.359 2.286 1.00 54.78 C ATOM 171 CZ TYR A 345 1.626 33.512 1.450 1.00 56.02 C ATOM 172 OH TYR A 345 1.440 33.918 0.149 1.00 61.86 O ATOM 0 H TYR A 345 2.189 32.535 8.137 1.00 43.68 H new ATOM 0 HA TYR A 345 3.803 33.379 6.114 1.00 46.71 H new ATOM 0 HB2 TYR A 345 2.718 31.397 5.532 1.00 54.64 H new ATOM 0 HB3 TYR A 345 1.335 32.006 5.919 1.00 54.64 H new ATOM 0 HD1 TYR A 345 3.948 32.667 3.549 1.00 52.76 H new ATOM 0 HD2 TYR A 345 -0.017 32.833 4.154 1.00 49.68 H new ATOM 0 HE1 TYR A 345 3.644 33.358 1.358 1.00 56.45 H new ATOM 0 HE2 TYR A 345 -0.325 33.536 1.971 1.00 54.78 H new ATOM 0 HH TYR A 345 0.621 34.035 0.006 1.00 61.86 H new ATOM 173 N ASN A 346 2.652 35.524 5.680 1.00 51.33 N ATOM 174 CA ASN A 346 2.032 36.838 5.516 1.00 50.42 C ATOM 175 C ASN A 346 1.530 36.974 4.070 1.00 52.92 C ATOM 176 O ASN A 346 2.343 37.068 3.153 1.00 54.73 O ATOM 177 CB ASN A 346 3.062 37.920 5.856 1.00 54.61 C ATOM 178 CG ASN A 346 2.524 39.337 5.712 1.00 62.13 C ATOM 179 OD1 ASN A 346 1.362 39.561 5.360 1.00 74.21 O ATOM 180 ND2 ASN A 346 3.384 40.308 5.985 1.00 63.21 N ATOM 0 H ASN A 346 3.385 35.435 5.239 1.00 51.33 H new ATOM 0 HA ASN A 346 1.275 36.940 6.113 1.00 50.42 H new ATOM 0 HB2 ASN A 346 3.369 37.789 6.767 1.00 54.61 H new ATOM 0 HB3 ASN A 346 3.834 37.815 5.278 1.00 54.61 H new ATOM 0 HD21 ASN A 346 3.140 41.130 5.919 1.00 63.21 H new ATOM 0 HD22 ASN A 346 4.186 40.116 6.228 1.00 63.21 H new ATOM 181 N PRO A 347 0.194 36.962 3.858 1.00 60.30 N ATOM 182 CA PRO A 347 -0.340 37.109 2.491 1.00 62.75 C ATOM 183 C PRO A 347 -0.112 38.465 1.805 1.00 63.62 C ATOM 184 O PRO A 347 -0.183 38.539 0.576 1.00 61.82 O ATOM 185 CB PRO A 347 -1.842 36.853 2.671 1.00 64.21 C ATOM 186 CG PRO A 347 -1.928 36.002 3.884 1.00 69.79 C ATOM 187 CD PRO A 347 -0.864 36.535 4.794 1.00 63.08 C ATOM 0 HA PRO A 347 0.125 36.498 1.898 1.00 62.75 H new ATOM 0 HB2 PRO A 347 -2.331 37.683 2.786 1.00 64.21 H new ATOM 0 HB3 PRO A 347 -2.220 36.406 1.898 1.00 64.21 H new ATOM 0 HG2 PRO A 347 -2.805 36.060 4.294 1.00 69.79 H new ATOM 0 HG3 PRO A 347 -1.775 35.068 3.671 1.00 69.79 H new ATOM 0 HD2 PRO A 347 -1.189 37.275 5.330 1.00 63.08 H new ATOM 0 HD3 PRO A 347 -0.546 35.857 5.410 1.00 63.08 H new ATOM 188 N SER A 348 0.141 39.521 2.577 1.00 65.55 N ATOM 189 CA SER A 348 0.447 40.836 2.005 1.00 70.59 C ATOM 190 C SER A 348 1.759 40.828 1.199 1.00 70.75 C ATOM 191 O SER A 348 1.795 41.346 0.083 1.00 70.36 O ATOM 192 CB SER A 348 0.514 41.898 3.104 1.00 76.49 C ATOM 193 OG SER A 348 0.796 43.175 2.563 1.00 83.94 O ATOM 0 H SER A 348 0.141 39.499 3.437 1.00 65.55 H new ATOM 0 HA SER A 348 -0.273 41.054 1.392 1.00 70.59 H new ATOM 0 HB2 SER A 348 -0.329 41.926 3.583 1.00 76.49 H new ATOM 0 HB3 SER A 348 1.198 41.658 3.748 1.00 76.49 H new ATOM 0 HG SER A 348 0.827 43.741 3.183 1.00 83.94 H new ATOM 194 N ASP A 349 2.815 40.234 1.767 1.00 60.85 N ATOM 195 CA ASP A 349 4.146 40.168 1.127 1.00 65.78 C ATOM 196 C ASP A 349 4.581 38.758 0.671 1.00 61.39 C ATOM 197 O ASP A 349 5.668 38.606 0.110 1.00 61.06 O ATOM 198 CB ASP A 349 5.228 40.822 2.026 1.00 63.60 C ATOM 199 CG ASP A 349 5.435 40.100 3.362 1.00 73.32 C ATOM 200 OD1 ASP A 349 5.264 38.871 3.431 1.00 81.43 O ATOM 201 OD2 ASP A 349 5.787 40.767 4.356 1.00 73.55 O ATOM 0 H ASP A 349 2.783 39.855 2.538 1.00 60.85 H new ATOM 0 HA ASP A 349 4.056 40.679 0.307 1.00 65.78 H new ATOM 0 HB2 ASP A 349 6.069 40.842 1.544 1.00 63.60 H new ATOM 0 HB3 ASP A 349 4.979 41.743 2.200 1.00 63.60 H new ATOM 202 N GLY A 350 3.748 37.743 0.915 1.00 54.03 N ATOM 203 CA GLY A 350 4.043 36.361 0.514 1.00 51.09 C ATOM 204 C GLY A 350 5.273 35.703 1.140 1.00 55.36 C ATOM 205 O GLY A 350 5.813 34.756 0.571 1.00 63.42 O ATOM 0 H GLY A 350 2.994 37.836 1.318 1.00 54.03 H new ATOM 0 HA2 GLY A 350 3.269 35.815 0.724 1.00 51.09 H new ATOM 0 HA3 GLY A 350 4.150 36.343 -0.450 1.00 51.09 H new ATOM 206 N THR A 351 5.702 36.183 2.308 1.00 53.09 N ATOM 207 CA THR A 351 6.912 35.691 2.987 1.00 58.35 C ATOM 208 C THR A 351 6.581 34.714 4.119 1.00 51.34 C ATOM 209 O THR A 351 5.472 34.726 4.646 1.00 46.56 O ATOM 210 CB THR A 351 7.732 36.856 3.587 1.00 65.26 C ATOM 211 OG1 THR A 351 6.986 37.490 4.635 1.00 55.65 O ATOM 212 CG2 THR A 351 8.083 37.887 2.512 1.00 58.47 C ATOM 0 H THR A 351 5.297 36.810 2.736 1.00 53.09 H new ATOM 0 HA THR A 351 7.430 35.232 2.307 1.00 58.35 H new ATOM 0 HB THR A 351 8.556 36.493 3.948 1.00 65.26 H new ATOM 0 HG1 THR A 351 6.432 38.026 4.300 1.00 55.65 H new ATOM 0 HG21 THR A 351 8.596 38.608 2.910 1.00 58.47 H new ATOM 0 HG22 THR A 351 8.608 37.463 1.816 1.00 58.47 H new ATOM 0 HG23 THR A 351 7.267 38.245 2.128 1.00 58.47 H new ATOM 213 N TRP A 352 7.560 33.886 4.483 1.00 53.75 N ATOM 214 CA TRP A 352 7.451 32.939 5.599 1.00 54.11 C ATOM 215 C TRP A 352 8.388 33.316 6.720 1.00 53.77 C ATOM 216 O TRP A 352 9.527 33.703 6.467 1.00 69.93 O ATOM 217 CB TRP A 352 7.768 31.522 5.133 1.00 52.63 C ATOM 218 CG TRP A 352 6.640 30.862 4.385 1.00 53.40 C ATOM 219 CD1 TRP A 352 6.430 30.840 3.011 1.00 56.45 C ATOM 220 CD2 TRP A 352 5.527 30.098 4.952 1.00 47.82 C ATOM 221 NE1 TRP A 352 5.296 30.133 2.700 1.00 63.42 N ATOM 222 CE2 TRP A 352 4.707 29.663 3.818 1.00 51.91 C ATOM 223 CE3 TRP A 352 5.145 29.741 6.232 1.00 48.73 C ATOM 224 CZ2 TRP A 352 3.558 28.905 3.989 1.00 52.15 C ATOM 225 CZ3 TRP A 352 3.982 28.975 6.395 1.00 51.22 C ATOM 226 CH2 TRP A 352 3.210 28.567 5.299 1.00 46.07 C ATOM 0 H TRP A 352 8.320 33.857 4.082 1.00 53.75 H new ATOM 0 HA TRP A 352 6.538 32.973 5.925 1.00 54.11 H new ATOM 0 HB2 TRP A 352 8.553 31.546 4.563 1.00 52.63 H new ATOM 0 HB3 TRP A 352 7.994 30.980 5.905 1.00 52.63 H new ATOM 0 HD1 TRP A 352 6.984 31.250 2.386 1.00 56.45 H new ATOM 0 HE1 TRP A 352 5.001 30.007 1.902 1.00 63.42 H new ATOM 0 HE3 TRP A 352 5.648 30.003 6.969 1.00 48.73 H new ATOM 0 HZ2 TRP A 352 3.042 28.634 3.264 1.00 52.15 H new ATOM 0 HZ3 TRP A 352 3.716 28.732 7.252 1.00 51.22 H new ATOM 0 HH2 TRP A 352 2.446 28.058 5.448 1.00 46.07 H new ATOM 227 N LEU A 353 7.919 33.188 7.961 1.00 41.95 N ATOM 228 CA LEU A 353 8.731 33.440 9.154 1.00 46.17 C ATOM 229 C LEU A 353 9.075 32.100 9.792 1.00 48.47 C ATOM 230 O LEU A 353 8.263 31.178 9.757 1.00 55.54 O ATOM 231 CB LEU A 353 7.964 34.305 10.160 1.00 48.54 C ATOM 232 CG LEU A 353 7.670 35.757 9.763 1.00 52.31 C ATOM 233 CD1 LEU A 353 6.887 35.877 8.457 1.00 45.28 C ATOM 234 CD2 LEU A 353 6.925 36.449 10.892 1.00 53.03 C ATOM 0 H LEU A 353 7.112 32.950 8.137 1.00 41.95 H new ATOM 0 HA LEU A 353 9.538 33.914 8.900 1.00 46.17 H new ATOM 0 HB2 LEU A 353 7.118 33.868 10.347 1.00 48.54 H new ATOM 0 HB3 LEU A 353 8.467 34.317 10.989 1.00 48.54 H new ATOM 0 HG LEU A 353 8.524 36.191 9.608 1.00 52.31 H new ATOM 0 HD11 LEU A 353 6.731 36.813 8.258 1.00 45.28 H new ATOM 0 HD12 LEU A 353 7.396 35.474 7.736 1.00 45.28 H new ATOM 0 HD13 LEU A 353 6.036 35.420 8.546 1.00 45.28 H new ATOM 0 HD21 LEU A 353 6.739 37.367 10.642 1.00 53.03 H new ATOM 0 HD22 LEU A 353 6.090 35.985 11.062 1.00 53.03 H new ATOM 0 HD23 LEU A 353 7.470 36.437 11.694 1.00 53.03 H new ATOM 235 N ARG A 354 10.287 31.987 10.333 1.00 49.85 N ATOM 236 CA ARG A 354 10.699 30.828 11.134 1.00 49.70 C ATOM 237 C ARG A 354 10.694 31.279 12.584 1.00 44.75 C ATOM 238 O ARG A 354 11.511 32.107 12.982 1.00 52.84 O ATOM 239 CB ARG A 354 12.096 30.324 10.724 1.00 57.93 C ATOM 240 CG ARG A 354 12.550 29.030 11.409 1.00 70.78 C ATOM 241 CD ARG A 354 11.831 27.798 10.856 1.00 81.95 C ATOM 242 NE ARG A 354 12.148 26.555 11.574 1.00 85.31 N ATOM 243 CZ ARG A 354 13.269 25.835 11.441 1.00 90.09 C ATOM 244 NH1 ARG A 354 14.253 26.214 10.621 1.00 84.06 N ATOM 245 NH2 ARG A 354 13.419 24.718 12.152 1.00 89.05 N ATOM 0 H ARG A 354 10.900 32.584 10.246 1.00 49.85 H new ATOM 0 HA ARG A 354 10.090 30.086 10.994 1.00 49.70 H new ATOM 0 HB2 ARG A 354 12.105 30.185 9.764 1.00 57.93 H new ATOM 0 HB3 ARG A 354 12.744 31.019 10.916 1.00 57.93 H new ATOM 0 HG2 ARG A 354 13.507 28.923 11.292 1.00 70.78 H new ATOM 0 HG3 ARG A 354 12.386 29.097 12.363 1.00 70.78 H new ATOM 0 HD2 ARG A 354 10.873 27.948 10.894 1.00 81.95 H new ATOM 0 HD3 ARG A 354 12.064 27.690 9.921 1.00 81.95 H new ATOM 0 HE ARG A 354 11.560 26.264 12.130 1.00 85.31 H new ATOM 0 HH11 ARG A 354 14.176 26.937 10.162 1.00 84.06 H new ATOM 0 HH12 ARG A 354 14.964 25.735 10.552 1.00 84.06 H new ATOM 0 HH21 ARG A 354 12.799 24.465 12.691 1.00 89.05 H new ATOM 0 HH22 ARG A 354 14.136 24.250 12.072 1.00 89.05 H new ATOM 246 N LEU A 355 9.770 30.730 13.364 1.00 43.04 N ATOM 247 CA LEU A 355 9.574 31.113 14.758 1.00 42.35 C ATOM 248 C LEU A 355 10.069 29.991 15.675 1.00 46.19 C ATOM 249 O LEU A 355 10.573 28.968 15.192 1.00 43.63 O ATOM 250 CB LEU A 355 8.096 31.418 14.993 1.00 39.73 C ATOM 251 CG LEU A 355 7.446 32.366 13.985 1.00 31.29 C ATOM 252 CD1 LEU A 355 5.969 32.512 14.293 1.00 33.83 C ATOM 253 CD2 LEU A 355 8.126 33.722 13.989 1.00 33.80 C ATOM 0 H LEU A 355 9.231 30.116 13.095 1.00 43.04 H new ATOM 0 HA LEU A 355 10.086 31.911 14.962 1.00 42.35 H new ATOM 0 HB2 LEU A 355 7.605 30.581 14.988 1.00 39.73 H new ATOM 0 HB3 LEU A 355 7.998 31.799 15.880 1.00 39.73 H new ATOM 0 HG LEU A 355 7.549 31.987 13.098 1.00 31.29 H new ATOM 0 HD11 LEU A 355 5.562 33.114 13.651 1.00 33.83 H new ATOM 0 HD12 LEU A 355 5.540 31.644 14.239 1.00 33.83 H new ATOM 0 HD13 LEU A 355 5.859 32.871 15.187 1.00 33.83 H new ATOM 0 HD21 LEU A 355 7.695 34.302 13.342 1.00 33.80 H new ATOM 0 HD22 LEU A 355 8.057 34.116 14.873 1.00 33.80 H new ATOM 0 HD23 LEU A 355 9.061 33.616 13.755 1.00 33.80 H new ATOM 254 N ALA A 356 9.946 30.194 16.990 1.00 46.55 N ATOM 255 CA ALA A 356 10.470 29.241 17.981 1.00 50.35 C ATOM 256 C ALA A 356 9.795 27.877 17.847 1.00 56.43 C ATOM 257 O ALA A 356 8.569 27.801 17.745 1.00 56.76 O ATOM 258 CB ALA A 356 10.281 29.778 19.395 1.00 53.09 C ATOM 0 H ALA A 356 9.560 30.882 17.333 1.00 46.55 H new ATOM 0 HA ALA A 356 11.418 29.131 17.810 1.00 50.35 H new ATOM 0 HB1 ALA A 356 10.631 29.138 20.034 1.00 53.09 H new ATOM 0 HB2 ALA A 356 10.755 30.619 19.488 1.00 53.09 H new ATOM 0 HB3 ALA A 356 9.336 29.919 19.564 1.00 53.09 H new ATOM 259 N ASP A 357 10.597 26.810 17.849 1.00 63.35 N ATOM 260 CA ASP A 357 10.079 25.443 17.713 1.00 57.81 C ATOM 261 C ASP A 357 9.231 25.048 18.917 1.00 54.35 C ATOM 262 O ASP A 357 9.384 25.607 20.004 1.00 52.36 O ATOM 263 CB ASP A 357 11.217 24.414 17.559 1.00 54.68 C ATOM 264 CG ASP A 357 11.987 24.553 16.248 1.00 60.65 C ATOM 265 OD1 ASP A 357 11.474 25.150 15.272 1.00 62.90 O ATOM 266 OD2 ASP A 357 13.124 24.037 16.198 1.00 61.36 O ATOM 0 H ASP A 357 11.452 26.856 17.929 1.00 63.35 H new ATOM 0 HA ASP A 357 9.532 25.438 16.912 1.00 57.81 H new ATOM 0 HB2 ASP A 357 11.834 24.511 18.301 1.00 54.68 H new ATOM 0 HB3 ASP A 357 10.845 23.520 17.615 1.00 54.68 H new ATOM 267 N LEU A 358 8.337 24.085 18.703 1.00 47.72 N ATOM 268 CA LEU A 358 7.561 23.476 19.777 1.00 39.41 C ATOM 269 C LEU A 358 8.516 22.770 20.742 1.00 50.21 C ATOM 270 O LEU A 358 9.543 22.220 20.313 1.00 53.15 O ATOM 271 CB LEU A 358 6.553 22.463 19.209 1.00 33.06 C ATOM 272 CG LEU A 358 5.356 22.999 18.408 1.00 31.70 C ATOM 273 CD1 LEU A 358 4.969 22.054 17.271 1.00 32.78 C ATOM 274 CD2 LEU A 358 4.161 23.262 19.313 1.00 26.58 C ATOM 0 H LEU A 358 8.164 23.765 17.924 1.00 47.72 H new ATOM 0 HA LEU A 358 7.068 24.168 20.245 1.00 39.41 H new ATOM 0 HB2 LEU A 358 7.040 21.849 18.638 1.00 33.06 H new ATOM 0 HB3 LEU A 358 6.204 21.944 19.951 1.00 33.06 H new ATOM 0 HG LEU A 358 5.631 23.841 18.014 1.00 31.70 H new ATOM 0 HD11 LEU A 358 4.213 22.422 16.788 1.00 32.78 H new ATOM 0 HD12 LEU A 358 5.720 21.951 16.666 1.00 32.78 H new ATOM 0 HD13 LEU A 358 4.728 21.189 17.637 1.00 32.78 H new ATOM 0 HD21 LEU A 358 3.422 23.599 18.783 1.00 26.58 H new ATOM 0 HD22 LEU A 358 3.897 22.437 19.748 1.00 26.58 H new ATOM 0 HD23 LEU A 358 4.402 23.919 19.985 1.00 26.58 H new ATOM 275 N GLN A 359 8.184 22.795 22.032 1.00 47.36 N ATOM 276 CA GLN A 359 8.983 22.101 23.051 1.00 64.65 C ATOM 277 C GLN A 359 8.990 20.589 22.813 1.00 64.00 C ATOM 278 O GLN A 359 10.036 19.951 22.941 1.00 60.57 O ATOM 279 CB GLN A 359 8.480 22.417 24.468 1.00 70.63 C ATOM 280 CG GLN A 359 8.698 23.866 24.888 1.00 86.82 C ATOM 281 CD GLN A 359 8.068 24.199 26.231 1.00 93.23 C ATOM 282 OE1 GLN A 359 7.172 25.040 26.320 1.00 93.58 O ATOM 283 NE2 GLN A 359 8.531 23.535 27.283 1.00 87.86 N ATOM 0 H GLN A 359 7.497 23.209 22.342 1.00 47.36 H new ATOM 0 HA GLN A 359 9.894 22.426 22.974 1.00 64.65 H new ATOM 0 HB2 GLN A 359 7.533 22.213 24.519 1.00 70.63 H new ATOM 0 HB3 GLN A 359 8.930 21.835 25.100 1.00 70.63 H new ATOM 0 HG2 GLN A 359 9.650 24.045 24.930 1.00 86.82 H new ATOM 0 HG3 GLN A 359 8.329 24.453 24.209 1.00 86.82 H new ATOM 0 HE21 GLN A 359 9.158 22.955 27.183 1.00 87.86 H new ATOM 0 HE22 GLN A 359 8.204 23.685 28.064 1.00 87.86 H new ATOM 284 N VAL A 360 7.825 20.038 22.465 1.00 55.87 N ATOM 285 CA VAL A 360 7.675 18.620 22.117 1.00 56.42 C ATOM 286 C VAL A 360 7.074 18.524 20.712 1.00 51.50 C ATOM 287 O VAL A 360 6.088 19.208 20.430 1.00 60.22 O ATOM 288 CB VAL A 360 6.738 17.898 23.107 1.00 53.21 C ATOM 289 CG1 VAL A 360 6.719 16.394 22.848 1.00 42.12 C ATOM 290 CG2 VAL A 360 7.158 18.189 24.539 1.00 53.06 C ATOM 0 H VAL A 360 7.090 20.482 22.424 1.00 55.87 H new ATOM 0 HA VAL A 360 8.547 18.197 22.155 1.00 56.42 H new ATOM 0 HB VAL A 360 5.838 18.235 22.972 1.00 53.21 H new ATOM 0 HG11 VAL A 360 6.124 15.964 23.482 1.00 42.12 H new ATOM 0 HG12 VAL A 360 6.406 16.225 21.946 1.00 42.12 H new ATOM 0 HG13 VAL A 360 7.615 16.036 22.952 1.00 42.12 H new ATOM 0 HG21 VAL A 360 6.562 17.730 25.151 1.00 53.06 H new ATOM 0 HG22 VAL A 360 8.066 17.879 24.679 1.00 53.06 H new ATOM 0 HG23 VAL A 360 7.114 19.144 24.701 1.00 53.06 H new ATOM 291 N PRO A 361 7.654 17.682 19.827 1.00 48.38 N ATOM 292 CA PRO A 361 7.082 17.573 18.474 1.00 46.92 C ATOM 293 C PRO A 361 5.725 16.893 18.500 1.00 45.22 C ATOM 294 O PRO A 361 5.459 16.083 19.393 1.00 48.30 O ATOM 295 CB PRO A 361 8.097 16.714 17.703 1.00 48.16 C ATOM 296 CG PRO A 361 8.954 16.054 18.722 1.00 48.69 C ATOM 297 CD PRO A 361 8.818 16.794 20.023 1.00 52.31 C ATOM 0 HA PRO A 361 6.938 18.443 18.069 1.00 46.92 H new ATOM 0 HB2 PRO A 361 7.644 16.055 17.154 1.00 48.16 H new ATOM 0 HB3 PRO A 361 8.630 17.262 17.107 1.00 48.16 H new ATOM 0 HG2 PRO A 361 8.690 15.127 18.834 1.00 48.69 H new ATOM 0 HG3 PRO A 361 9.880 16.052 18.432 1.00 48.69 H new ATOM 0 HD2 PRO A 361 8.675 16.183 20.763 1.00 52.31 H new ATOM 0 HD3 PRO A 361 9.619 17.302 20.225 1.00 52.31 H new ATOM 298 N ARG A 362 4.871 17.239 17.542 1.00 39.73 N ATOM 299 CA ARG A 362 3.557 16.608 17.442 1.00 44.38 C ATOM 300 C ARG A 362 2.881 16.766 16.083 1.00 44.94 C ATOM 301 O ARG A 362 3.175 17.704 15.330 1.00 45.38 O ATOM 302 CB ARG A 362 2.632 17.114 18.546 1.00 50.15 C ATOM 303 CG ARG A 362 2.711 18.602 18.838 1.00 47.05 C ATOM 304 CD ARG A 362 1.566 18.981 19.759 1.00 58.31 C ATOM 305 NE ARG A 362 1.884 20.075 20.665 1.00 59.34 N ATOM 306 CZ ARG A 362 1.116 20.468 21.683 1.00 61.31 C ATOM 307 NH1 ARG A 362 -0.041 19.861 21.953 1.00 61.35 N ATOM 308 NH2 ARG A 362 1.512 21.483 22.447 1.00 60.20 N ATOM 0 H ARG A 362 5.031 17.834 16.942 1.00 39.73 H new ATOM 0 HA ARG A 362 3.721 15.658 17.550 1.00 44.38 H new ATOM 0 HB2 ARG A 362 1.718 16.896 18.305 1.00 50.15 H new ATOM 0 HB3 ARG A 362 2.833 16.630 19.362 1.00 50.15 H new ATOM 0 HG2 ARG A 362 3.561 18.818 19.252 1.00 47.05 H new ATOM 0 HG3 ARG A 362 2.660 19.109 18.013 1.00 47.05 H new ATOM 0 HD2 ARG A 362 0.797 19.229 19.222 1.00 58.31 H new ATOM 0 HD3 ARG A 362 1.309 18.204 20.280 1.00 58.31 H new ATOM 0 HE ARG A 362 2.621 20.499 20.535 1.00 59.34 H new ATOM 0 HH11 ARG A 362 -0.305 19.203 21.467 1.00 61.35 H new ATOM 0 HH12 ARG A 362 -0.523 20.128 22.613 1.00 61.35 H new ATOM 0 HH21 ARG A 362 2.257 21.880 22.283 1.00 60.20 H new ATOM 0 HH22 ARG A 362 1.023 21.742 23.105 1.00 60.20 H new ATOM 309 N SER A 363 1.999 15.808 15.785 1.00 41.19 N ATOM 310 CA SER A 363 1.156 15.816 14.583 1.00 46.99 C ATOM 311 C SER A 363 -0.285 15.442 14.961 1.00 44.30 C ATOM 312 O SER A 363 -0.523 14.813 15.992 1.00 35.83 O ATOM 313 CB SER A 363 1.708 14.847 13.526 1.00 46.47 C ATOM 314 OG SER A 363 1.718 13.505 13.990 1.00 54.10 O ATOM 0 H SER A 363 1.871 15.121 16.286 1.00 41.19 H new ATOM 0 HA SER A 363 1.161 16.708 14.201 1.00 46.99 H new ATOM 0 HB2 SER A 363 1.170 14.906 12.721 1.00 46.47 H new ATOM 0 HB3 SER A 363 2.609 15.112 13.285 1.00 46.47 H new ATOM 0 HG SER A 363 1.138 13.061 13.575 1.00 54.10 H new ATOM 315 N GLY A 364 -1.239 15.835 14.121 1.00 46.83 N ATOM 316 CA GLY A 364 -2.655 15.679 14.438 1.00 50.15 C ATOM 317 C GLY A 364 -3.111 16.552 15.601 1.00 46.25 C ATOM 318 O GLY A 364 -4.064 16.206 16.301 1.00 40.48 O ATOM 0 H GLY A 364 -1.085 16.197 13.356 1.00 46.83 H new ATOM 0 HA2 GLY A 364 -3.182 15.896 13.653 1.00 50.15 H new ATOM 0 HA3 GLY A 364 -2.832 14.749 14.651 1.00 50.15 H new ATOM 319 N LEU A 365 -2.421 17.677 15.800 1.00 52.01 N ATOM 320 CA LEU A 365 -2.808 18.701 16.771 1.00 44.43 C ATOM 321 C LEU A 365 -3.787 19.655 16.100 1.00 40.85 C ATOM 322 O LEU A 365 -4.057 19.532 14.902 1.00 48.01 O ATOM 323 CB LEU A 365 -1.580 19.483 17.270 1.00 43.03 C ATOM 324 CG LEU A 365 -0.948 20.579 16.382 1.00 40.06 C ATOM 325 CD1 LEU A 365 -0.145 21.566 17.215 1.00 32.76 C ATOM 326 CD2 LEU A 365 -0.085 19.986 15.279 1.00 34.02 C ATOM 0 H LEU A 365 -1.703 17.869 15.367 1.00 52.01 H new ATOM 0 HA LEU A 365 -3.220 18.274 17.538 1.00 44.43 H new ATOM 0 HB2 LEU A 365 -1.825 19.899 18.111 1.00 43.03 H new ATOM 0 HB3 LEU A 365 -0.886 18.835 17.466 1.00 43.03 H new ATOM 0 HG LEU A 365 -1.678 21.058 15.960 1.00 40.06 H new ATOM 0 HD11 LEU A 365 0.240 22.241 16.635 1.00 32.76 H new ATOM 0 HD12 LEU A 365 -0.727 21.991 17.864 1.00 32.76 H new ATOM 0 HD13 LEU A 365 0.566 21.096 17.678 1.00 32.76 H new ATOM 0 HD21 LEU A 365 0.293 20.701 14.744 1.00 34.02 H new ATOM 0 HD22 LEU A 365 0.631 19.464 15.673 1.00 34.02 H new ATOM 0 HD23 LEU A 365 -0.628 19.414 14.715 1.00 34.02 H new ATOM 327 N ALA A 366 -4.298 20.607 16.876 1.00 37.66 N ATOM 328 CA ALA A 366 -5.104 21.714 16.347 1.00 46.87 C ATOM 329 C ALA A 366 -4.588 23.039 16.899 1.00 45.99 C ATOM 330 O ALA A 366 -4.038 23.089 18.004 1.00 38.93 O ATOM 331 CB ALA A 366 -6.573 21.529 16.703 1.00 43.36 C ATOM 0 H ALA A 366 -4.188 20.632 17.729 1.00 37.66 H new ATOM 0 HA ALA A 366 -5.026 21.721 15.380 1.00 46.87 H new ATOM 0 HB1 ALA A 366 -7.088 22.269 16.346 1.00 43.36 H new ATOM 0 HB2 ALA A 366 -6.896 20.697 16.323 1.00 43.36 H new ATOM 0 HB3 ALA A 366 -6.672 21.503 17.668 1.00 43.36 H new ATOM 332 N GLY A 367 -4.764 24.101 16.117 1.00 44.50 N ATOM 333 CA GLY A 367 -4.400 25.457 16.523 1.00 45.87 C ATOM 334 C GLY A 367 -5.624 26.316 16.809 1.00 48.15 C ATOM 335 O GLY A 367 -6.716 26.044 16.290 1.00 35.40 O ATOM 0 H GLY A 367 -5.102 24.054 15.327 1.00 44.50 H new ATOM 0 HA2 GLY A 367 -3.842 25.417 17.315 1.00 45.87 H new ATOM 0 HA3 GLY A 367 -3.871 25.872 15.824 1.00 45.87 H new ATOM 336 N CYS A 368 -5.435 27.334 17.653 1.00 49.18 N ATOM 337 CA CYS A 368 -6.422 28.411 17.866 1.00 50.35 C ATOM 338 C CYS A 368 -5.775 29.613 18.565 1.00 43.59 C ATOM 339 O CYS A 368 -4.633 29.528 19.011 1.00 49.55 O ATOM 340 CB CYS A 368 -7.627 27.918 18.677 1.00 45.62 C ATOM 341 SG CYS A 368 -7.215 27.261 20.306 1.00 45.05 S ATOM 0 H CYS A 368 -4.722 27.424 18.126 1.00 49.18 H new ATOM 0 HA CYS A 368 -6.739 28.689 16.992 1.00 50.35 H new ATOM 0 HB2 CYS A 368 -8.252 28.652 18.786 1.00 45.62 H new ATOM 0 HB3 CYS A 368 -8.084 27.229 18.169 1.00 45.62 H new ATOM 0 HG CYS A 368 -8.131 27.450 21.057 1.00 45.05 H new ATOM 342 N VAL A 369 -6.513 30.720 18.641 1.00 45.58 N ATOM 343 CA VAL A 369 -6.045 31.968 19.252 1.00 50.24 C ATOM 344 C VAL A 369 -7.060 32.477 20.280 1.00 58.58 C ATOM 345 O VAL A 369 -8.272 32.397 20.050 1.00 53.70 O ATOM 346 CB VAL A 369 -5.821 33.067 18.190 1.00 56.51 C ATOM 347 CG1 VAL A 369 -5.165 34.290 18.814 1.00 58.27 C ATOM 348 CG2 VAL A 369 -4.968 32.544 17.043 1.00 60.13 C ATOM 0 H VAL A 369 -7.315 30.769 18.334 1.00 45.58 H new ATOM 0 HA VAL A 369 -5.201 31.774 19.689 1.00 50.24 H new ATOM 0 HB VAL A 369 -6.687 33.324 17.838 1.00 56.51 H new ATOM 0 HG11 VAL A 369 -5.032 34.969 18.134 1.00 58.27 H new ATOM 0 HG12 VAL A 369 -5.736 34.642 19.514 1.00 58.27 H new ATOM 0 HG13 VAL A 369 -4.308 34.040 19.192 1.00 58.27 H new ATOM 0 HG21 VAL A 369 -4.839 33.248 16.388 1.00 60.13 H new ATOM 0 HG22 VAL A 369 -4.106 32.259 17.384 1.00 60.13 H new ATOM 0 HG23 VAL A 369 -5.414 31.791 16.624 1.00 60.13 H new ATOM 349 N VAL A 370 -6.555 32.979 21.411 1.00 60.97 N ATOM 350 CA VAL A 370 -7.371 33.631 22.446 1.00 59.75 C ATOM 351 C VAL A 370 -6.570 34.787 23.042 1.00 59.75 C ATOM 352 O VAL A 370 -5.563 34.558 23.713 1.00 56.47 O ATOM 353 CB VAL A 370 -7.779 32.652 23.573 1.00 55.65 C ATOM 354 CG1 VAL A 370 -8.363 33.403 24.763 1.00 46.02 C ATOM 355 CG2 VAL A 370 -8.778 31.627 23.060 1.00 50.04 C ATOM 0 H VAL A 370 -5.717 32.951 21.602 1.00 60.97 H new ATOM 0 HA VAL A 370 -8.187 33.950 22.031 1.00 59.75 H new ATOM 0 HB VAL A 370 -6.979 32.187 23.866 1.00 55.65 H new ATOM 0 HG11 VAL A 370 -8.611 32.770 25.455 1.00 46.02 H new ATOM 0 HG12 VAL A 370 -7.702 34.021 25.112 1.00 46.02 H new ATOM 0 HG13 VAL A 370 -9.149 33.897 24.480 1.00 46.02 H new ATOM 0 HG21 VAL A 370 -9.021 31.024 23.779 1.00 50.04 H new ATOM 0 HG22 VAL A 370 -9.572 32.082 22.738 1.00 50.04 H new ATOM 0 HG23 VAL A 370 -8.379 31.121 22.335 1.00 50.04 H new ATOM 356 N GLY A 371 -7.017 36.017 22.790 1.00 58.62 N ATOM 357 CA GLY A 371 -6.324 37.209 23.270 1.00 54.47 C ATOM 358 C GLY A 371 -4.943 37.378 22.658 1.00 53.30 C ATOM 359 O GLY A 371 -3.981 37.694 23.360 1.00 49.50 O ATOM 0 H GLY A 371 -7.729 36.182 22.337 1.00 58.62 H new ATOM 0 HA2 GLY A 371 -6.860 37.992 23.069 1.00 54.47 H new ATOM 0 HA3 GLY A 371 -6.241 37.163 24.235 1.00 54.47 H new ATOM 360 N GLY A 372 -4.844 37.143 21.351 1.00 48.94 N ATOM 361 CA GLY A 372 -3.586 37.295 20.618 1.00 46.83 C ATOM 362 C GLY A 372 -2.503 36.244 20.835 1.00 43.89 C ATOM 363 O GLY A 372 -1.415 36.395 20.290 1.00 48.53 O ATOM 0 H GLY A 372 -5.505 36.890 20.863 1.00 48.94 H new ATOM 0 HA2 GLY A 372 -3.794 37.317 19.671 1.00 46.83 H new ATOM 0 HA3 GLY A 372 -3.211 38.160 20.846 1.00 46.83 H new ATOM 364 N LEU A 373 -2.790 35.189 21.606 1.00 49.34 N ATOM 365 CA LEU A 373 -1.828 34.115 21.902 1.00 50.99 C ATOM 366 C LEU A 373 -2.216 32.806 21.197 1.00 56.37 C ATOM 367 O LEU A 373 -3.338 32.324 21.353 1.00 54.99 O ATOM 368 CB LEU A 373 -1.752 33.859 23.414 1.00 48.60 C ATOM 369 CG LEU A 373 -1.510 35.058 24.337 1.00 53.86 C ATOM 370 CD1 LEU A 373 -1.432 34.604 25.790 1.00 44.16 C ATOM 371 CD2 LEU A 373 -0.249 35.812 23.945 1.00 50.75 C ATOM 0 H LEU A 373 -3.558 35.075 21.977 1.00 49.34 H new ATOM 0 HA LEU A 373 -0.963 34.407 21.574 1.00 50.99 H new ATOM 0 HB2 LEU A 373 -2.582 33.438 23.686 1.00 48.60 H new ATOM 0 HB3 LEU A 373 -1.043 33.216 23.571 1.00 48.60 H new ATOM 0 HG LEU A 373 -2.260 35.665 24.240 1.00 53.86 H new ATOM 0 HD11 LEU A 373 -1.279 35.373 26.362 1.00 44.16 H new ATOM 0 HD12 LEU A 373 -2.266 34.176 26.041 1.00 44.16 H new ATOM 0 HD13 LEU A 373 -0.702 33.974 25.894 1.00 44.16 H new ATOM 0 HD21 LEU A 373 -0.122 36.564 24.545 1.00 50.75 H new ATOM 0 HD22 LEU A 373 0.515 35.218 24.005 1.00 50.75 H new ATOM 0 HD23 LEU A 373 -0.335 36.136 23.035 1.00 50.75 H new ATOM 372 N LEU A 374 -1.278 32.230 20.445 1.00 55.00 N ATOM 373 CA LEU A 374 -1.488 30.955 19.754 1.00 45.74 C ATOM 374 C LEU A 374 -1.436 29.800 20.751 1.00 44.05 C ATOM 375 O LEU A 374 -0.534 29.747 21.579 1.00 52.71 O ATOM 376 CB LEU A 374 -0.416 30.758 18.674 1.00 44.09 C ATOM 377 CG LEU A 374 -0.546 29.584 17.689 1.00 44.39 C ATOM 378 CD1 LEU A 374 -1.454 29.916 16.514 1.00 39.34 C ATOM 379 CD2 LEU A 374 0.827 29.193 17.176 1.00 46.75 C ATOM 0 H LEU A 374 -0.498 32.569 20.320 1.00 55.00 H new ATOM 0 HA LEU A 374 -2.362 30.970 19.334 1.00 45.74 H new ATOM 0 HB2 LEU A 374 -0.376 31.574 18.151 1.00 44.09 H new ATOM 0 HB3 LEU A 374 0.438 30.667 19.124 1.00 44.09 H new ATOM 0 HG LEU A 374 -0.948 28.844 18.170 1.00 44.39 H new ATOM 0 HD11 LEU A 374 -1.508 29.151 15.920 1.00 39.34 H new ATOM 0 HD12 LEU A 374 -2.341 30.133 16.841 1.00 39.34 H new ATOM 0 HD13 LEU A 374 -1.093 30.676 16.030 1.00 39.34 H new ATOM 0 HD21 LEU A 374 0.742 28.453 16.555 1.00 46.75 H new ATOM 0 HD22 LEU A 374 1.231 29.950 16.723 1.00 46.75 H new ATOM 0 HD23 LEU A 374 1.387 28.926 17.922 1.00 46.75 H new ATOM 380 N TYR A 375 -2.412 28.895 20.673 1.00 44.36 N ATOM 381 CA TYR A 375 -2.420 27.650 21.449 1.00 42.95 C ATOM 382 C TYR A 375 -2.335 26.446 20.510 1.00 43.69 C ATOM 383 O TYR A 375 -2.944 26.454 19.442 1.00 47.82 O ATOM 384 CB TYR A 375 -3.704 27.531 22.261 1.00 44.53 C ATOM 385 CG TYR A 375 -3.818 28.480 23.423 1.00 48.49 C ATOM 386 CD1 TYR A 375 -4.343 29.761 23.253 1.00 51.35 C ATOM 387 CD2 TYR A 375 -3.428 28.093 24.708 1.00 48.42 C ATOM 388 CE1 TYR A 375 -4.467 30.631 24.323 1.00 48.48 C ATOM 389 CE2 TYR A 375 -3.545 28.961 25.784 1.00 43.57 C ATOM 390 CZ TYR A 375 -4.065 30.226 25.584 1.00 43.83 C ATOM 391 OH TYR A 375 -4.189 31.090 26.641 1.00 52.99 O ATOM 0 H TYR A 375 -3.097 28.987 20.162 1.00 44.36 H new ATOM 0 HA TYR A 375 -1.656 27.666 22.046 1.00 42.95 H new ATOM 0 HB2 TYR A 375 -4.459 27.675 21.669 1.00 44.53 H new ATOM 0 HB3 TYR A 375 -3.775 26.623 22.595 1.00 44.53 H new ATOM 0 HD1 TYR A 375 -4.614 30.035 22.407 1.00 51.35 H new ATOM 0 HD2 TYR A 375 -3.084 27.240 24.844 1.00 48.42 H new ATOM 0 HE1 TYR A 375 -4.818 31.483 24.195 1.00 48.48 H new ATOM 0 HE2 TYR A 375 -3.276 28.694 26.633 1.00 43.57 H new ATOM 0 HH TYR A 375 -3.911 30.718 27.341 1.00 52.99 H new ATOM 392 N ALA A 376 -1.589 25.420 20.923 1.00 44.41 N ATOM 393 CA ALA A 376 -1.458 24.165 20.177 1.00 38.79 C ATOM 394 C ALA A 376 -1.978 23.034 21.061 1.00 47.63 C ATOM 395 O ALA A 376 -1.431 22.790 22.147 1.00 46.60 O ATOM 396 CB ALA A 376 -0.008 23.922 19.805 1.00 34.18 C ATOM 0 H ALA A 376 -1.138 25.433 21.655 1.00 44.41 H new ATOM 0 HA ALA A 376 -1.971 24.209 19.355 1.00 38.79 H new ATOM 0 HB1 ALA A 376 0.065 23.090 19.312 1.00 34.18 H new ATOM 0 HB2 ALA A 376 0.312 24.653 19.253 1.00 34.18 H new ATOM 0 HB3 ALA A 376 0.528 23.868 20.611 1.00 34.18 H new ATOM 397 N VAL A 377 -3.017 22.341 20.592 1.00 38.25 N ATOM 398 CA VAL A 377 -3.786 21.423 21.430 1.00 43.34 C ATOM 399 C VAL A 377 -3.651 19.976 20.950 1.00 42.74 C ATOM 400 O VAL A 377 -3.931 19.669 19.792 1.00 37.51 O ATOM 401 CB VAL A 377 -5.284 21.819 21.456 1.00 45.28 C ATOM 402 CG1 VAL A 377 -6.004 21.113 22.600 1.00 45.55 C ATOM 403 CG2 VAL A 377 -5.438 23.328 21.592 1.00 42.08 C ATOM 0 H VAL A 377 -3.295 22.391 19.780 1.00 38.25 H new ATOM 0 HA VAL A 377 -3.423 21.487 22.327 1.00 43.34 H new ATOM 0 HB VAL A 377 -5.685 21.541 20.618 1.00 45.28 H new ATOM 0 HG11 VAL A 377 -6.939 21.371 22.602 1.00 45.55 H new ATOM 0 HG12 VAL A 377 -5.934 20.153 22.483 1.00 45.55 H new ATOM 0 HG13 VAL A 377 -5.597 21.366 23.444 1.00 45.55 H new ATOM 0 HG21 VAL A 377 -6.380 23.557 21.607 1.00 42.08 H new ATOM 0 HG22 VAL A 377 -5.021 23.623 22.417 1.00 42.08 H new ATOM 0 HG23 VAL A 377 -5.011 23.766 20.839 1.00 42.08 H new ATOM 404 N GLY A 378 -3.218 19.094 21.849 1.00 47.81 N ATOM 405 CA GLY A 378 -3.181 17.655 21.587 1.00 47.32 C ATOM 406 C GLY A 378 -2.303 17.230 20.422 1.00 48.06 C ATOM 407 O GLY A 378 -1.343 17.918 20.068 1.00 42.54 O ATOM 0 H GLY A 378 -2.936 19.314 22.631 1.00 47.81 H new ATOM 0 HA2 GLY A 378 -2.872 17.203 22.388 1.00 47.32 H new ATOM 0 HA3 GLY A 378 -4.086 17.348 21.420 1.00 47.32 H new ATOM 408 N GLY A 379 -2.673 16.104 19.816 1.00 50.82 N ATOM 409 CA GLY A 379 -1.896 15.451 18.768 1.00 51.73 C ATOM 410 C GLY A 379 -1.164 14.244 19.323 1.00 52.60 C ATOM 411 O GLY A 379 -1.540 13.706 20.377 1.00 48.58 O ATOM 0 H GLY A 379 -3.401 15.689 20.009 1.00 50.82 H new ATOM 0 HA2 GLY A 379 -2.483 15.176 18.046 1.00 51.73 H new ATOM 0 HA3 GLY A 379 -1.258 16.078 18.392 1.00 51.73 H new ATOM 412 N ARG A 380 -0.133 13.807 18.600 1.00 50.48 N ATOM 413 CA ARG A 380 0.776 12.755 19.076 1.00 58.92 C ATOM 414 C ARG A 380 2.173 12.942 18.504 1.00 49.72 C ATOM 415 O ARG A 380 2.328 13.502 17.417 1.00 61.56 O ATOM 416 CB ARG A 380 0.248 11.362 18.706 1.00 64.00 C ATOM 417 CG ARG A 380 0.197 11.064 17.212 1.00 66.20 C ATOM 418 CD ARG A 380 -0.358 9.675 16.954 1.00 67.28 C ATOM 419 NE ARG A 380 -0.284 9.294 15.543 1.00 78.43 N ATOM 420 CZ ARG A 380 -0.600 8.091 15.057 1.00 71.41 C ATOM 421 NH1 ARG A 380 -1.020 7.109 15.857 1.00 73.16 N ATOM 422 NH2 ARG A 380 -0.494 7.865 13.750 1.00 74.23 N ATOM 0 H ARG A 380 0.062 14.110 17.819 1.00 50.48 H new ATOM 0 HA ARG A 380 0.821 12.826 20.042 1.00 58.92 H new ATOM 0 HB2 ARG A 380 0.807 10.695 19.135 1.00 64.00 H new ATOM 0 HB3 ARG A 380 -0.645 11.262 19.072 1.00 64.00 H new ATOM 0 HG2 ARG A 380 -0.355 11.725 16.765 1.00 66.20 H new ATOM 0 HG3 ARG A 380 1.087 11.136 16.834 1.00 66.20 H new ATOM 0 HD2 ARG A 380 0.133 9.030 17.486 1.00 67.28 H new ATOM 0 HD3 ARG A 380 -1.282 9.640 17.247 1.00 67.28 H new ATOM 0 HE ARG A 380 -0.017 9.890 14.984 1.00 78.43 H new ATOM 0 HH11 ARG A 380 -1.092 7.245 16.703 1.00 73.16 H new ATOM 0 HH12 ARG A 380 -1.219 6.340 15.526 1.00 73.16 H new ATOM 0 HH21 ARG A 380 -0.224 8.491 13.226 1.00 74.23 H new ATOM 0 HH22 ARG A 380 -0.696 7.093 13.429 1.00 74.23 H new ATOM 423 N ASN A 381 3.172 12.451 19.231 1.00 44.73 N ATOM 424 CA ASN A 381 4.556 12.426 18.757 1.00 48.96 C ATOM 425 C ASN A 381 4.872 11.045 18.202 1.00 48.64 C ATOM 426 O ASN A 381 5.273 10.152 18.950 1.00 56.56 O ATOM 427 CB ASN A 381 5.521 12.786 19.898 1.00 51.70 C ATOM 428 CG ASN A 381 6.968 12.904 19.445 1.00 43.72 C ATOM 429 OD1 ASN A 381 7.299 12.751 18.269 1.00 44.71 O ATOM 430 ND2 ASN A 381 7.841 13.185 20.393 1.00 39.36 N ATOM 0 H ASN A 381 3.067 12.121 20.018 1.00 44.73 H new ATOM 0 HA ASN A 381 4.667 13.084 18.053 1.00 48.96 H new ATOM 0 HB2 ASN A 381 5.243 13.626 20.296 1.00 51.70 H new ATOM 0 HB3 ASN A 381 5.459 12.110 20.591 1.00 51.70 H new ATOM 0 HD21 ASN A 381 8.675 13.268 20.199 1.00 39.36 H new ATOM 0 HD22 ASN A 381 7.576 13.286 21.205 1.00 39.36 H new ATOM 431 N ASN A 382 4.677 10.875 16.893 1.00 44.86 N ATOM 432 CA ASN A 382 5.038 9.635 16.210 1.00 46.88 C ATOM 433 C ASN A 382 6.482 9.750 15.721 1.00 48.02 C ATOM 434 O ASN A 382 6.744 10.251 14.626 1.00 54.94 O ATOM 435 CB ASN A 382 4.071 9.338 15.056 1.00 50.73 C ATOM 436 CG ASN A 382 4.324 7.986 14.404 1.00 63.40 C ATOM 437 OD1 ASN A 382 4.942 7.095 14.994 1.00 89.74 O ATOM 438 ND2 ASN A 382 3.832 7.824 13.182 1.00 59.53 N ATOM 0 H ASN A 382 4.333 11.473 16.380 1.00 44.86 H new ATOM 0 HA ASN A 382 4.969 8.890 16.827 1.00 46.88 H new ATOM 0 HB2 ASN A 382 3.160 9.366 15.388 1.00 50.73 H new ATOM 0 HB3 ASN A 382 4.150 10.035 14.386 1.00 50.73 H new ATOM 0 HD21 ASN A 382 3.939 7.076 12.771 1.00 59.53 H new ATOM 0 HD22 ASN A 382 3.406 8.467 12.801 1.00 59.53 H new ATOM 439 N SER A 383 7.408 9.304 16.564 1.00 51.67 N ATOM 440 CA SER A 383 8.847 9.395 16.305 1.00 64.07 C ATOM 441 C SER A 383 9.376 8.016 15.906 1.00 74.35 C ATOM 442 O SER A 383 8.626 7.031 15.966 1.00 67.00 O ATOM 443 CB SER A 383 9.566 9.903 17.561 1.00 52.15 C ATOM 444 OG SER A 383 9.429 8.994 18.638 1.00 54.21 O ATOM 0 H SER A 383 7.217 8.933 17.316 1.00 51.67 H new ATOM 0 HA SER A 383 9.012 10.018 15.580 1.00 64.07 H new ATOM 0 HB2 SER A 383 10.507 10.036 17.366 1.00 52.15 H new ATOM 0 HB3 SER A 383 9.204 10.766 17.816 1.00 52.15 H new ATOM 0 HG SER A 383 8.757 8.507 18.510 1.00 54.21 H new ATOM 445 N PRO A 384 10.661 7.937 15.486 1.00 79.90 N ATOM 446 CA PRO A 384 11.304 6.633 15.282 1.00 77.92 C ATOM 447 C PRO A 384 11.275 5.723 16.518 1.00 76.66 C ATOM 448 O PRO A 384 10.997 4.530 16.386 1.00 71.59 O ATOM 449 CB PRO A 384 12.741 7.010 14.921 1.00 72.76 C ATOM 450 CG PRO A 384 12.606 8.324 14.241 1.00 74.85 C ATOM 451 CD PRO A 384 11.506 9.036 14.974 1.00 79.45 C ATOM 0 HA PRO A 384 10.842 6.115 14.605 1.00 77.92 H new ATOM 0 HB2 PRO A 384 13.301 7.074 15.711 1.00 72.76 H new ATOM 0 HB3 PRO A 384 13.147 6.348 14.339 1.00 72.76 H new ATOM 0 HG2 PRO A 384 13.435 8.826 14.280 1.00 74.85 H new ATOM 0 HG3 PRO A 384 12.387 8.212 13.303 1.00 74.85 H new ATOM 0 HD2 PRO A 384 11.854 9.584 15.695 1.00 79.45 H new ATOM 0 HD3 PRO A 384 11.008 9.625 14.385 1.00 79.45 H new ATOM 452 N ASP A 385 11.533 6.294 17.697 1.00 90.49 N ATOM 453 CA ASP A 385 11.527 5.542 18.971 1.00 86.19 C ATOM 454 C ASP A 385 10.165 4.944 19.354 1.00 71.28 C ATOM 455 O ASP A 385 10.120 3.933 20.050 1.00 85.78 O ATOM 456 CB ASP A 385 12.034 6.419 20.128 1.00 87.05 C ATOM 457 CG ASP A 385 13.512 6.775 20.002 1.00 94.76 C ATOM 458 OD1 ASP A 385 14.069 6.701 18.882 1.00101.47 O ATOM 459 OD2 ASP A 385 14.118 7.139 21.032 1.00 84.65 O ATOM 0 H ASP A 385 11.717 7.129 17.787 1.00 90.49 H new ATOM 0 HA ASP A 385 12.126 4.795 18.819 1.00 86.19 H new ATOM 0 HB2 ASP A 385 11.511 7.236 20.161 1.00 87.05 H new ATOM 0 HB3 ASP A 385 11.889 5.955 20.967 1.00 87.05 H new ATOM 460 N GLY A 386 9.073 5.565 18.907 1.00 72.69 N ATOM 461 CA GLY A 386 7.715 5.079 19.189 1.00 63.60 C ATOM 462 C GLY A 386 6.676 6.186 19.161 1.00 59.91 C ATOM 463 O GLY A 386 6.956 7.296 18.702 1.00 56.98 O ATOM 0 H GLY A 386 9.096 6.281 18.431 1.00 72.69 H new ATOM 0 HA2 GLY A 386 7.477 4.401 18.537 1.00 63.60 H new ATOM 0 HA3 GLY A 386 7.703 4.652 20.060 1.00 63.60 H new ATOM 464 N ASN A 387 5.482 5.880 19.672 1.00 65.47 N ATOM 465 CA ASN A 387 4.343 6.803 19.649 1.00 62.46 C ATOM 466 C ASN A 387 3.807 7.131 21.049 1.00 55.04 C ATOM 467 O ASN A 387 3.556 6.229 21.845 1.00 48.75 O ATOM 468 CB ASN A 387 3.225 6.208 18.795 1.00 78.32 C ATOM 469 CG ASN A 387 2.262 7.259 18.280 1.00 94.74 C ATOM 470 OD1 ASN A 387 2.160 7.475 17.073 1.00117.67 O ATOM 471 ND2 ASN A 387 1.558 7.926 19.192 1.00 79.66 N ATOM 0 H ASN A 387 5.308 5.125 20.045 1.00 65.47 H new ATOM 0 HA ASN A 387 4.658 7.637 19.267 1.00 62.46 H new ATOM 0 HB2 ASN A 387 3.614 5.735 18.043 1.00 78.32 H new ATOM 0 HB3 ASN A 387 2.735 5.555 19.319 1.00 78.32 H new ATOM 0 HD21 ASN A 387 1.004 8.536 18.946 1.00 79.66 H new ATOM 0 HD22 ASN A 387 1.657 7.746 20.027 1.00 79.66 H new ATOM 472 N THR A 388 3.625 8.425 21.323 1.00 57.28 N ATOM 473 CA THR A 388 3.022 8.923 22.567 1.00 54.60 C ATOM 474 C THR A 388 1.944 9.951 22.212 1.00 50.53 C ATOM 475 O THR A 388 2.246 10.975 21.598 1.00 58.29 O ATOM 476 CB THR A 388 4.091 9.583 23.468 1.00 58.21 C ATOM 477 OG1 THR A 388 5.154 8.654 23.699 1.00 64.29 O ATOM 478 CG2 THR A 388 3.511 10.018 24.811 1.00 39.74 C ATOM 0 H THR A 388 3.853 9.052 20.780 1.00 57.28 H new ATOM 0 HA THR A 388 2.632 8.179 23.053 1.00 54.60 H new ATOM 0 HB THR A 388 4.419 10.373 23.010 1.00 58.21 H new ATOM 0 HG1 THR A 388 5.737 9.011 24.187 1.00 64.29 H new ATOM 0 HG21 THR A 388 4.208 10.426 25.348 1.00 39.74 H new ATOM 0 HG22 THR A 388 2.799 10.660 24.664 1.00 39.74 H new ATOM 0 HG23 THR A 388 3.157 9.244 25.277 1.00 39.74 H new ATOM 479 N ASP A 389 0.692 9.667 22.574 1.00 57.06 N ATOM 480 CA ASP A 389 -0.417 10.608 22.354 1.00 53.96 C ATOM 481 C ASP A 389 -0.324 11.741 23.369 1.00 53.06 C ATOM 482 O ASP A 389 0.077 11.522 24.522 1.00 50.17 O ATOM 483 CB ASP A 389 -1.780 9.918 22.482 1.00 54.44 C ATOM 484 CG ASP A 389 -2.000 8.835 21.434 1.00 58.07 C ATOM 485 OD1 ASP A 389 -1.734 9.087 20.243 1.00 59.67 O ATOM 486 OD2 ASP A 389 -2.458 7.732 21.804 1.00 64.82 O ATOM 0 H ASP A 389 0.460 8.930 22.951 1.00 57.06 H new ATOM 0 HA ASP A 389 -0.343 10.956 21.452 1.00 53.96 H new ATOM 0 HB2 ASP A 389 -1.857 9.526 23.366 1.00 54.44 H new ATOM 0 HB3 ASP A 389 -2.482 10.583 22.405 1.00 54.44 H new ATOM 487 N SER A 390 -0.704 12.942 22.938 1.00 46.46 N ATOM 488 CA SER A 390 -0.544 14.152 23.744 1.00 48.94 C ATOM 489 C SER A 390 -1.864 14.585 24.364 1.00 49.08 C ATOM 490 O SER A 390 -2.892 14.598 23.681 1.00 44.00 O ATOM 491 CB SER A 390 -0.004 15.296 22.879 1.00 46.60 C ATOM 492 OG SER A 390 0.163 16.483 23.637 1.00 42.56 O ATOM 0 H SER A 390 -1.063 13.079 22.168 1.00 46.46 H new ATOM 0 HA SER A 390 0.083 13.947 24.455 1.00 48.94 H new ATOM 0 HB2 SER A 390 0.846 15.036 22.490 1.00 46.60 H new ATOM 0 HB3 SER A 390 -0.614 15.463 22.143 1.00 46.60 H new ATOM 0 HG SER A 390 0.461 17.093 23.142 1.00 42.56 H new ATOM 493 N SER A 391 -1.819 14.935 25.652 1.00 47.27 N ATOM 494 CA SER A 391 -2.894 15.679 26.319 1.00 48.50 C ATOM 495 C SER A 391 -2.524 17.157 26.513 1.00 45.19 C ATOM 496 O SER A 391 -3.270 17.899 27.145 1.00 52.48 O ATOM 497 CB SER A 391 -3.215 15.043 27.676 1.00 44.86 C ATOM 498 OG SER A 391 -2.084 15.057 28.526 1.00 54.21 O ATOM 0 H SER A 391 -1.158 14.746 26.168 1.00 47.27 H new ATOM 0 HA SER A 391 -3.677 15.638 25.748 1.00 48.50 H new ATOM 0 HB2 SER A 391 -3.945 15.523 28.097 1.00 44.86 H new ATOM 0 HB3 SER A 391 -3.514 14.129 27.546 1.00 44.86 H new ATOM 0 HG SER A 391 -1.884 15.851 28.713 1.00 54.21 H new ATOM 499 N ALA A 392 -1.397 17.585 25.946 1.00 50.03 N ATOM 500 CA ALA A 392 -0.779 18.863 26.304 1.00 46.49 C ATOM 501 C ALA A 392 -1.452 20.053 25.633 1.00 43.68 C ATOM 502 O ALA A 392 -1.864 19.977 24.473 1.00 42.70 O ATOM 503 CB ALA A 392 0.703 18.855 25.954 1.00 39.72 C ATOM 0 H ALA A 392 -0.969 17.144 25.344 1.00 50.03 H new ATOM 0 HA ALA A 392 -0.893 18.964 27.262 1.00 46.49 H new ATOM 0 HB1 ALA A 392 1.098 19.707 26.197 1.00 39.72 H new ATOM 0 HB2 ALA A 392 1.147 18.143 26.441 1.00 39.72 H new ATOM 0 HB3 ALA A 392 0.810 18.710 25.001 1.00 39.72 H new ATOM 504 N LEU A 393 -1.559 21.138 26.395 1.00 38.73 N ATOM 505 CA LEU A 393 -1.855 22.463 25.884 1.00 37.98 C ATOM 506 C LEU A 393 -0.610 23.313 26.119 1.00 41.11 C ATOM 507 O LEU A 393 -0.160 23.452 27.256 1.00 54.90 O ATOM 508 CB LEU A 393 -3.041 23.063 26.636 1.00 39.81 C ATOM 509 CG LEU A 393 -3.503 24.471 26.261 1.00 38.98 C ATOM 510 CD1 LEU A 393 -3.923 24.488 24.796 1.00 35.66 C ATOM 511 CD2 LEU A 393 -4.644 24.925 27.178 1.00 34.53 C ATOM 0 H LEU A 393 -1.458 21.118 27.249 1.00 38.73 H new ATOM 0 HA LEU A 393 -2.085 22.428 24.942 1.00 37.98 H new ATOM 0 HB2 LEU A 393 -3.796 22.464 26.523 1.00 39.81 H new ATOM 0 HB3 LEU A 393 -2.821 23.066 27.581 1.00 39.81 H new ATOM 0 HG LEU A 393 -2.771 25.097 26.381 1.00 38.98 H new ATOM 0 HD11 LEU A 393 -4.217 25.380 24.554 1.00 35.66 H new ATOM 0 HD12 LEU A 393 -3.170 24.234 24.240 1.00 35.66 H new ATOM 0 HD13 LEU A 393 -4.650 23.860 24.660 1.00 35.66 H new ATOM 0 HD21 LEU A 393 -4.925 25.819 26.927 1.00 34.53 H new ATOM 0 HD22 LEU A 393 -5.393 24.315 27.090 1.00 34.53 H new ATOM 0 HD23 LEU A 393 -4.338 24.929 28.098 1.00 34.53 H new ATOM 512 N ASP A 394 -0.045 23.848 25.042 1.00 43.55 N ATOM 513 CA ASP A 394 1.069 24.792 25.111 1.00 46.75 C ATOM 514 C ASP A 394 0.624 26.092 24.449 1.00 40.48 C ATOM 515 O ASP A 394 -0.167 26.062 23.504 1.00 32.04 O ATOM 516 CB ASP A 394 2.315 24.231 24.407 1.00 51.82 C ATOM 517 CG ASP A 394 3.049 23.183 25.239 1.00 54.37 C ATOM 518 OD1 ASP A 394 4.227 23.428 25.588 1.00 69.06 O ATOM 519 OD2 ASP A 394 2.459 22.126 25.549 1.00 49.10 O ATOM 0 H ASP A 394 -0.300 23.672 24.240 1.00 43.55 H new ATOM 0 HA ASP A 394 1.309 24.948 26.038 1.00 46.75 H new ATOM 0 HB2 ASP A 394 2.052 23.838 23.560 1.00 51.82 H new ATOM 0 HB3 ASP A 394 2.922 24.960 24.205 1.00 51.82 H new ATOM 520 N CYS A 395 1.146 27.214 24.949 1.00 37.57 N ATOM 521 CA CYS A 395 0.748 28.552 24.519 1.00 43.28 C ATOM 522 C CYS A 395 1.953 29.366 24.031 1.00 43.08 C ATOM 523 O CYS A 395 2.943 29.490 24.751 1.00 42.27 O ATOM 524 CB CYS A 395 0.080 29.277 25.689 1.00 47.10 C ATOM 525 SG CYS A 395 -0.421 30.972 25.312 1.00 49.55 S ATOM 0 H CYS A 395 1.752 27.216 25.559 1.00 37.57 H new ATOM 0 HA CYS A 395 0.127 28.464 23.779 1.00 43.28 H new ATOM 0 HB2 CYS A 395 -0.701 28.773 25.967 1.00 47.10 H new ATOM 0 HB3 CYS A 395 0.692 29.290 26.442 1.00 47.10 H new ATOM 0 HG CYS A 395 -1.618 31.053 25.345 1.00 49.55 H new ATOM 526 N TYR A 396 1.839 29.934 22.827 1.00 49.22 N ATOM 527 CA TYR A 396 2.888 30.743 22.189 1.00 46.53 C ATOM 528 C TYR A 396 2.481 32.205 22.085 1.00 50.54 C ATOM 529 O TYR A 396 1.489 32.517 21.430 1.00 48.60 O ATOM 530 CB TYR A 396 3.159 30.221 20.777 1.00 47.96 C ATOM 531 CG TYR A 396 4.048 31.110 19.931 1.00 49.66 C ATOM 532 CD1 TYR A 396 5.437 31.054 20.044 1.00 52.72 C ATOM 533 CD2 TYR A 396 3.500 32.000 19.006 1.00 50.36 C ATOM 534 CE1 TYR A 396 6.256 31.860 19.263 1.00 46.02 C ATOM 535 CE2 TYR A 396 4.311 32.811 18.223 1.00 55.37 C ATOM 536 CZ TYR A 396 5.688 32.737 18.354 1.00 49.55 C ATOM 537 OH TYR A 396 6.486 33.546 17.577 1.00 60.93 O ATOM 0 H TYR A 396 1.131 29.858 22.345 1.00 49.22 H new ATOM 0 HA TYR A 396 3.683 30.674 22.740 1.00 46.53 H new ATOM 0 HB2 TYR A 396 3.569 29.344 20.843 1.00 47.96 H new ATOM 0 HB3 TYR A 396 2.311 30.104 20.321 1.00 47.96 H new ATOM 0 HD1 TYR A 396 5.822 30.466 20.653 1.00 52.72 H new ATOM 0 HD2 TYR A 396 2.576 32.051 18.912 1.00 50.36 H new ATOM 0 HE1 TYR A 396 7.181 31.811 19.350 1.00 46.02 H new ATOM 0 HE2 TYR A 396 3.931 33.401 17.613 1.00 55.37 H new ATOM 0 HH TYR A 396 7.293 33.399 17.757 1.00 60.93 H new ATOM 538 N ASN A 397 3.271 33.091 22.692 1.00 51.35 N ATOM 539 CA ASN A 397 3.084 34.539 22.567 1.00 46.61 C ATOM 540 C ASN A 397 3.913 35.077 21.394 1.00 43.57 C ATOM 541 O ASN A 397 5.136 34.981 21.429 1.00 55.32 O ATOM 542 CB ASN A 397 3.493 35.235 23.873 1.00 44.95 C ATOM 543 CG ASN A 397 3.186 36.727 23.881 1.00 52.97 C ATOM 544 OD1 ASN A 397 2.773 37.312 22.875 1.00 62.64 O ATOM 545 ND2 ASN A 397 3.383 37.350 25.031 1.00 52.82 N ATOM 0 H ASN A 397 3.935 32.868 23.191 1.00 51.35 H new ATOM 0 HA ASN A 397 2.147 34.724 22.395 1.00 46.61 H new ATOM 0 HB2 ASN A 397 3.033 34.812 24.615 1.00 44.95 H new ATOM 0 HB3 ASN A 397 4.443 35.106 24.017 1.00 44.95 H new ATOM 0 HD21 ASN A 397 3.222 38.192 25.097 1.00 52.82 H new ATOM 0 HD22 ASN A 397 3.672 36.913 25.713 1.00 52.82 H new ATOM 546 N PRO A 398 3.257 35.641 20.355 1.00 44.85 N ATOM 547 CA PRO A 398 3.960 36.302 19.247 1.00 46.38 C ATOM 548 C PRO A 398 4.968 37.373 19.658 1.00 45.89 C ATOM 549 O PRO A 398 6.004 37.496 19.018 1.00 48.08 O ATOM 550 CB PRO A 398 2.827 36.970 18.462 1.00 45.45 C ATOM 551 CG PRO A 398 1.650 36.113 18.710 1.00 47.03 C ATOM 552 CD PRO A 398 1.802 35.604 20.115 1.00 50.32 C ATOM 0 HA PRO A 398 4.490 35.650 18.762 1.00 46.38 H new ATOM 0 HB2 PRO A 398 2.673 37.878 18.767 1.00 45.45 H new ATOM 0 HB3 PRO A 398 3.035 37.020 17.516 1.00 45.45 H new ATOM 0 HG2 PRO A 398 0.826 36.616 18.609 1.00 47.03 H new ATOM 0 HG3 PRO A 398 1.614 35.380 18.076 1.00 47.03 H new ATOM 0 HD2 PRO A 398 1.324 36.162 20.748 1.00 50.32 H new ATOM 0 HD3 PRO A 398 1.450 34.705 20.207 1.00 50.32 H new ATOM 553 N MET A 399 4.655 38.138 20.703 1.00 47.30 N ATOM 554 CA MET A 399 5.497 39.267 21.115 1.00 62.78 C ATOM 555 C MET A 399 6.810 38.800 21.743 1.00 55.48 C ATOM 556 O MET A 399 7.844 39.421 21.521 1.00 56.06 O ATOM 557 CB MET A 399 4.751 40.211 22.079 1.00 71.60 C ATOM 558 CG MET A 399 3.447 40.814 21.546 1.00 86.25 C ATOM 559 SD MET A 399 3.600 41.922 20.121 1.00108.12 S ATOM 560 CE MET A 399 1.893 42.426 19.881 1.00 74.56 C ATOM 0 H MET A 399 3.956 38.021 21.190 1.00 47.30 H new ATOM 0 HA MET A 399 5.709 39.761 20.308 1.00 62.78 H new ATOM 0 HB2 MET A 399 4.553 39.723 22.894 1.00 71.60 H new ATOM 0 HB3 MET A 399 5.348 40.936 22.321 1.00 71.60 H new ATOM 0 HG2 MET A 399 2.852 40.087 21.304 1.00 86.25 H new ATOM 0 HG3 MET A 399 3.020 41.302 22.267 1.00 86.25 H new ATOM 0 HE1 MET A 399 1.838 43.036 19.129 1.00 74.56 H new ATOM 0 HE2 MET A 399 1.347 41.644 19.704 1.00 74.56 H new ATOM 0 HE3 MET A 399 1.571 42.870 20.681 1.00 74.56 H new ATOM 561 N THR A 400 6.770 37.703 22.501 1.00 54.11 N ATOM 562 CA THR A 400 7.959 37.157 23.176 1.00 53.99 C ATOM 563 C THR A 400 8.638 35.979 22.442 1.00 59.13 C ATOM 564 O THR A 400 9.748 35.591 22.813 1.00 59.67 O ATOM 565 CB THR A 400 7.625 36.711 24.615 1.00 53.02 C ATOM 566 OG1 THR A 400 6.914 35.469 24.599 1.00 45.71 O ATOM 567 CG2 THR A 400 6.785 37.765 25.327 1.00 47.57 C ATOM 0 H THR A 400 6.052 37.251 22.641 1.00 54.11 H new ATOM 0 HA THR A 400 8.591 37.893 23.177 1.00 53.99 H new ATOM 0 HB THR A 400 8.461 36.598 25.094 1.00 53.02 H new ATOM 0 HG1 THR A 400 6.739 35.236 25.387 1.00 45.71 H new ATOM 0 HG21 THR A 400 6.586 37.466 26.228 1.00 47.57 H new ATOM 0 HG22 THR A 400 7.277 38.600 25.365 1.00 47.57 H new ATOM 0 HG23 THR A 400 5.956 37.901 24.842 1.00 47.57 H new ATOM 568 N ASN A 401 7.974 35.419 21.425 1.00 60.11 N ATOM 569 CA ASN A 401 8.481 34.273 20.639 1.00 51.67 C ATOM 570 C ASN A 401 8.861 33.056 21.505 1.00 44.80 C ATOM 571 O ASN A 401 9.834 32.349 21.217 1.00 41.63 O ATOM 572 CB ASN A 401 9.650 34.706 19.741 1.00 52.37 C ATOM 573 CG ASN A 401 9.985 33.681 18.663 1.00 50.90 C ATOM 574 OD1 ASN A 401 9.149 33.336 17.834 1.00 60.89 O ATOM 575 ND2 ASN A 401 11.217 33.191 18.676 1.00 48.02 N ATOM 0 H ASN A 401 7.203 35.696 21.164 1.00 60.11 H new ATOM 0 HA ASN A 401 7.747 33.978 20.077 1.00 51.67 H new ATOM 0 HB2 ASN A 401 9.431 35.552 19.319 1.00 52.37 H new ATOM 0 HB3 ASN A 401 10.435 34.858 20.291 1.00 52.37 H new ATOM 0 HD21 ASN A 401 11.455 32.609 18.089 1.00 48.02 H new ATOM 0 HD22 ASN A 401 11.778 33.455 19.272 1.00 48.02 H new ATOM 576 N GLN A 402 8.066 32.821 22.550 1.00 40.55 N ATOM 577 CA GLN A 402 8.335 31.798 23.562 1.00 47.02 C ATOM 578 C GLN A 402 7.103 30.910 23.763 1.00 47.23 C ATOM 579 O GLN A 402 5.989 31.422 23.928 1.00 40.38 O ATOM 580 CB GLN A 402 8.717 32.477 24.890 1.00 51.06 C ATOM 581 CG GLN A 402 8.864 31.538 26.087 1.00 56.40 C ATOM 582 CD GLN A 402 9.486 32.202 27.305 1.00 60.32 C ATOM 583 OE1 GLN A 402 10.486 32.910 27.203 1.00 73.03 O ATOM 584 NE2 GLN A 402 8.906 31.952 28.471 1.00 64.94 N ATOM 0 H GLN A 402 7.341 33.261 22.693 1.00 40.55 H new ATOM 0 HA GLN A 402 9.070 31.241 23.261 1.00 47.02 H new ATOM 0 HB2 GLN A 402 9.554 32.950 24.765 1.00 51.06 H new ATOM 0 HB3 GLN A 402 8.044 33.143 25.101 1.00 51.06 H new ATOM 0 HG2 GLN A 402 7.990 31.192 26.327 1.00 56.40 H new ATOM 0 HG3 GLN A 402 9.409 30.778 25.828 1.00 56.40 H new ATOM 0 HE21 GLN A 402 8.207 31.452 28.505 1.00 64.94 H new ATOM 0 HE22 GLN A 402 9.229 32.290 29.193 1.00 64.94 H new ATOM 585 N TRP A 403 7.314 29.592 23.764 1.00 42.94 N ATOM 586 CA TRP A 403 6.273 28.632 24.147 1.00 44.91 C ATOM 587 C TRP A 403 6.251 28.471 25.639 1.00 47.76 C ATOM 588 O TRP A 403 7.304 28.323 26.258 1.00 61.18 O ATOM 589 CB TRP A 403 6.498 27.270 23.489 1.00 43.06 C ATOM 590 CG TRP A 403 6.144 27.252 22.024 1.00 42.30 C ATOM 591 CD1 TRP A 403 6.988 27.475 20.945 1.00 45.65 C ATOM 592 CD2 TRP A 403 4.827 27.002 21.430 1.00 42.79 C ATOM 593 NE1 TRP A 403 6.305 27.385 19.760 1.00 47.29 N ATOM 594 CE2 TRP A 403 5.005 27.107 19.979 1.00 47.58 C ATOM 595 CE3 TRP A 403 3.559 26.724 21.936 1.00 47.07 C ATOM 596 CZ2 TRP A 403 3.949 26.926 19.094 1.00 54.77 C ATOM 597 CZ3 TRP A 403 2.501 26.541 21.036 1.00 43.92 C ATOM 598 CH2 TRP A 403 2.693 26.641 19.647 1.00 51.73 C ATOM 0 H TRP A 403 8.062 29.229 23.543 1.00 42.94 H new ATOM 0 HA TRP A 403 5.421 28.980 23.841 1.00 44.91 H new ATOM 0 HB2 TRP A 403 7.428 27.017 23.594 1.00 43.06 H new ATOM 0 HB3 TRP A 403 5.968 26.602 23.952 1.00 43.06 H new ATOM 0 HD1 TRP A 403 7.896 27.661 21.017 1.00 45.65 H new ATOM 0 HE1 TRP A 403 6.658 27.491 18.983 1.00 47.29 H new ATOM 0 HE3 TRP A 403 3.418 26.661 22.853 1.00 47.07 H new ATOM 0 HZ2 TRP A 403 4.070 26.991 18.174 1.00 54.77 H new ATOM 0 HZ3 TRP A 403 1.653 26.349 21.365 1.00 43.92 H new ATOM 0 HH2 TRP A 403 1.967 26.515 19.080 1.00 51.73 H new ATOM 599 N SER A 404 5.055 28.499 26.227 1.00 50.20 N ATOM 600 CA SER A 404 4.856 28.220 27.651 1.00 48.35 C ATOM 601 C SER A 404 3.830 27.097 27.793 1.00 52.99 C ATOM 602 O SER A 404 2.778 27.150 27.151 1.00 54.54 O ATOM 603 CB SER A 404 4.343 29.463 28.379 1.00 50.48 C ATOM 604 OG SER A 404 5.215 30.563 28.195 1.00 54.35 O ATOM 0 H SER A 404 4.328 28.683 25.806 1.00 50.20 H new ATOM 0 HA SER A 404 5.704 27.959 28.043 1.00 48.35 H new ATOM 0 HB2 SER A 404 3.459 29.690 28.052 1.00 50.48 H new ATOM 0 HB3 SER A 404 4.255 29.272 29.326 1.00 50.48 H new ATOM 0 HG SER A 404 4.912 31.232 28.602 1.00 54.35 H new ATOM 605 N PRO A 405 4.114 26.088 28.637 1.00 48.47 N ATOM 606 CA PRO A 405 3.143 25.014 28.806 1.00 52.92 C ATOM 607 C PRO A 405 1.976 25.446 29.701 1.00 59.41 C ATOM 608 O PRO A 405 2.155 26.299 30.578 1.00 63.55 O ATOM 609 CB PRO A 405 3.966 23.908 29.470 1.00 60.17 C ATOM 610 CG PRO A 405 4.981 24.642 30.276 1.00 60.36 C ATOM 611 CD PRO A 405 5.254 25.941 29.562 1.00 52.91 C ATOM 0 HA PRO A 405 2.733 24.740 27.971 1.00 52.92 H new ATOM 0 HB2 PRO A 405 3.412 23.341 30.029 1.00 60.17 H new ATOM 0 HB3 PRO A 405 4.385 23.333 28.810 1.00 60.17 H new ATOM 0 HG2 PRO A 405 4.653 24.806 31.174 1.00 60.36 H new ATOM 0 HG3 PRO A 405 5.794 24.120 30.362 1.00 60.36 H new ATOM 0 HD2 PRO A 405 5.305 26.684 30.184 1.00 52.91 H new ATOM 0 HD3 PRO A 405 6.098 25.913 29.084 1.00 52.91 H new ATOM 612 N CYS A 406 0.801 24.862 29.456 1.00 55.60 N ATOM 613 CA CYS A 406 -0.414 25.097 30.248 1.00 46.11 C ATOM 614 C CYS A 406 -0.897 23.776 30.846 1.00 39.54 C ATOM 615 O CYS A 406 -0.257 22.741 30.651 1.00 40.19 O ATOM 616 CB CYS A 406 -1.500 25.707 29.365 1.00 38.14 C ATOM 617 SG CYS A 406 -0.991 27.227 28.547 1.00 50.15 S ATOM 0 H CYS A 406 0.684 24.306 28.811 1.00 55.60 H new ATOM 0 HA CYS A 406 -0.215 25.716 30.968 1.00 46.11 H new ATOM 0 HB2 CYS A 406 -1.762 25.059 28.693 1.00 38.14 H new ATOM 0 HB3 CYS A 406 -2.284 25.887 29.907 1.00 38.14 H new ATOM 0 HG CYS A 406 -1.894 27.641 27.874 1.00 50.15 H new ATOM 618 N ALA A 407 -2.014 23.816 31.575 1.00 37.29 N ATOM 619 CA ALA A 407 -2.574 22.613 32.210 1.00 46.93 C ATOM 620 C ALA A 407 -2.993 21.591 31.152 1.00 51.83 C ATOM 621 O ALA A 407 -3.579 21.972 30.138 1.00 66.00 O ATOM 622 CB ALA A 407 -3.762 22.968 33.097 1.00 40.03 C ATOM 0 H ALA A 407 -2.467 24.533 31.716 1.00 37.29 H new ATOM 0 HA ALA A 407 -1.883 22.220 32.766 1.00 46.93 H new ATOM 0 HB1 ALA A 407 -4.114 22.161 33.504 1.00 40.03 H new ATOM 0 HB2 ALA A 407 -3.476 23.582 33.791 1.00 40.03 H new ATOM 0 HB3 ALA A 407 -4.453 23.387 32.560 1.00 40.03 H new ATOM 623 N PRO A 408 -2.683 20.298 31.371 1.00 53.39 N ATOM 624 CA PRO A 408 -3.015 19.280 30.370 1.00 62.55 C ATOM 625 C PRO A 408 -4.496 18.868 30.389 1.00 63.27 C ATOM 626 O PRO A 408 -5.183 19.064 31.398 1.00 64.41 O ATOM 627 CB PRO A 408 -2.120 18.106 30.774 1.00 63.75 C ATOM 628 CG PRO A 408 -2.018 18.224 32.253 1.00 56.90 C ATOM 629 CD PRO A 408 -2.051 19.698 32.562 1.00 55.16 C ATOM 0 HA PRO A 408 -2.872 19.601 29.466 1.00 62.55 H new ATOM 0 HB2 PRO A 408 -2.508 17.257 30.511 1.00 63.75 H new ATOM 0 HB3 PRO A 408 -1.248 18.162 30.352 1.00 63.75 H new ATOM 0 HG2 PRO A 408 -2.752 17.763 32.688 1.00 56.90 H new ATOM 0 HG3 PRO A 408 -1.197 17.821 32.577 1.00 56.90 H new ATOM 0 HD2 PRO A 408 -2.562 19.881 33.366 1.00 55.16 H new ATOM 0 HD3 PRO A 408 -1.159 20.051 32.707 1.00 55.16 H new ATOM 630 N MET A 409 -4.963 18.294 29.276 1.00 59.54 N ATOM 631 CA MET A 409 -6.348 17.817 29.138 1.00 51.26 C ATOM 632 C MET A 409 -6.560 16.550 29.968 1.00 47.46 C ATOM 633 O MET A 409 -5.602 15.857 30.310 1.00 51.12 O ATOM 634 CB MET A 409 -6.694 17.541 27.661 1.00 44.54 C ATOM 635 CG MET A 409 -6.613 18.771 26.762 1.00 49.73 C ATOM 636 SD MET A 409 -7.132 18.557 25.037 1.00 52.65 S ATOM 637 CE MET A 409 -6.028 17.246 24.502 1.00 44.25 C ATOM 0 H MET A 409 -4.483 18.169 28.574 1.00 59.54 H new ATOM 0 HA MET A 409 -6.938 18.514 29.466 1.00 51.26 H new ATOM 0 HB2 MET A 409 -6.091 16.862 27.319 1.00 44.54 H new ATOM 0 HB3 MET A 409 -7.591 17.175 27.612 1.00 44.54 H new ATOM 0 HG2 MET A 409 -7.157 19.471 27.157 1.00 49.73 H new ATOM 0 HG3 MET A 409 -5.696 19.088 26.765 1.00 49.73 H new ATOM 0 HE1 MET A 409 -5.874 17.322 23.547 1.00 44.25 H new ATOM 0 HE2 MET A 409 -5.183 17.322 24.973 1.00 44.25 H new ATOM 0 HE3 MET A 409 -6.430 16.385 24.697 1.00 44.25 H new ATOM 638 N SER A 410 -7.818 16.254 30.289 1.00 50.57 N ATOM 639 CA SER A 410 -8.173 15.050 31.060 1.00 47.51 C ATOM 640 C SER A 410 -7.725 13.738 30.402 1.00 45.46 C ATOM 641 O SER A 410 -7.427 12.771 31.098 1.00 45.78 O ATOM 642 CB SER A 410 -9.681 14.997 31.311 1.00 42.64 C ATOM 643 OG SER A 410 -10.393 14.691 30.132 1.00 45.72 O ATOM 0 H SER A 410 -8.492 16.741 30.069 1.00 50.57 H new ATOM 0 HA SER A 410 -7.691 15.127 31.898 1.00 47.51 H new ATOM 0 HB2 SER A 410 -9.874 14.330 31.989 1.00 42.64 H new ATOM 0 HB3 SER A 410 -9.982 15.851 31.659 1.00 42.64 H new ATOM 0 HG SER A 410 -10.153 15.210 29.517 1.00 45.72 H new ATOM 644 N VAL A 411 -7.714 13.714 29.067 1.00 56.36 N ATOM 645 CA VAL A 411 -7.224 12.573 28.282 1.00 56.47 C ATOM 646 C VAL A 411 -6.400 13.051 27.074 1.00 49.37 C ATOM 647 O VAL A 411 -6.536 14.199 26.656 1.00 51.89 O ATOM 648 CB VAL A 411 -8.391 11.689 27.774 1.00 56.13 C ATOM 649 CG1 VAL A 411 -9.137 11.048 28.942 1.00 42.30 C ATOM 650 CG2 VAL A 411 -9.338 12.501 26.897 1.00 49.61 C ATOM 0 H VAL A 411 -7.994 14.368 28.584 1.00 56.36 H new ATOM 0 HA VAL A 411 -6.662 12.046 28.872 1.00 56.47 H new ATOM 0 HB VAL A 411 -8.018 10.975 27.233 1.00 56.13 H new ATOM 0 HG11 VAL A 411 -9.862 10.500 28.602 1.00 42.30 H new ATOM 0 HG12 VAL A 411 -8.525 10.494 29.452 1.00 42.30 H new ATOM 0 HG13 VAL A 411 -9.498 11.742 29.515 1.00 42.30 H new ATOM 0 HG21 VAL A 411 -10.061 11.933 26.589 1.00 49.61 H new ATOM 0 HG22 VAL A 411 -9.703 13.238 27.411 1.00 49.61 H new ATOM 0 HG23 VAL A 411 -8.853 12.850 26.133 1.00 49.61 H new ATOM 651 N PRO A 412 -5.548 12.173 26.503 1.00 49.85 N ATOM 652 CA PRO A 412 -4.851 12.543 25.263 1.00 50.77 C ATOM 653 C PRO A 412 -5.779 12.509 24.038 1.00 50.36 C ATOM 654 O PRO A 412 -6.720 11.711 24.004 1.00 57.94 O ATOM 655 CB PRO A 412 -3.745 11.480 25.141 1.00 48.87 C ATOM 656 CG PRO A 412 -3.761 10.713 26.422 1.00 45.76 C ATOM 657 CD PRO A 412 -5.146 10.830 26.955 1.00 47.80 C ATOM 0 HA PRO A 412 -4.513 13.452 25.294 1.00 50.77 H new ATOM 0 HB2 PRO A 412 -3.909 10.895 24.385 1.00 48.87 H new ATOM 0 HB3 PRO A 412 -2.880 11.895 24.996 1.00 48.87 H new ATOM 0 HG2 PRO A 412 -3.524 9.784 26.273 1.00 45.76 H new ATOM 0 HG3 PRO A 412 -3.116 11.073 27.050 1.00 45.76 H new ATOM 0 HD2 PRO A 412 -5.729 10.140 26.601 1.00 47.80 H new ATOM 0 HD3 PRO A 412 -5.169 10.752 27.922 1.00 47.80 H new ATOM 658 N ARG A 413 -5.515 13.368 23.053 1.00 40.60 N ATOM 659 CA ARG A 413 -6.406 13.536 21.894 1.00 44.12 C ATOM 660 C ARG A 413 -5.625 13.759 20.602 1.00 40.99 C ATOM 661 O ARG A 413 -5.252 14.883 20.288 1.00 41.12 O ATOM 662 CB ARG A 413 -7.371 14.715 22.117 1.00 48.86 C ATOM 663 CG ARG A 413 -8.387 14.513 23.229 1.00 49.97 C ATOM 664 CD ARG A 413 -9.238 15.751 23.452 1.00 50.53 C ATOM 665 NE ARG A 413 -10.057 15.623 24.659 1.00 42.86 N ATOM 666 CZ ARG A 413 -11.236 14.999 24.742 1.00 42.17 C ATOM 667 NH1 ARG A 413 -11.797 14.416 23.686 1.00 50.30 N ATOM 668 NH2 ARG A 413 -11.872 14.958 25.909 1.00 51.16 N ATOM 0 H ARG A 413 -4.817 13.870 23.034 1.00 40.60 H new ATOM 0 HA ARG A 413 -6.912 12.713 21.805 1.00 44.12 H new ATOM 0 HB2 ARG A 413 -6.850 15.509 22.314 1.00 48.86 H new ATOM 0 HB3 ARG A 413 -7.847 14.886 21.290 1.00 48.86 H new ATOM 0 HG2 ARG A 413 -8.961 13.762 23.010 1.00 49.97 H new ATOM 0 HG3 ARG A 413 -7.925 14.286 24.051 1.00 49.97 H new ATOM 0 HD2 ARG A 413 -8.665 16.530 23.528 1.00 50.53 H new ATOM 0 HD3 ARG A 413 -9.812 15.895 22.683 1.00 50.53 H new ATOM 0 HE ARG A 413 -9.752 15.981 25.379 1.00 42.86 H new ATOM 0 HH11 ARG A 413 -11.400 14.434 22.923 1.00 50.30 H new ATOM 0 HH12 ARG A 413 -12.557 14.021 23.766 1.00 50.30 H new ATOM 0 HH21 ARG A 413 -11.524 15.331 26.602 1.00 51.16 H new ATOM 0 HH22 ARG A 413 -12.631 14.559 25.971 1.00 51.16 H new ATOM 669 N ASN A 414 -5.382 12.676 19.869 1.00 45.66 N ATOM 670 CA ASN A 414 -4.766 12.733 18.546 1.00 42.82 C ATOM 671 C ASN A 414 -5.864 12.874 17.492 1.00 46.09 C ATOM 672 O ASN A 414 -6.918 12.267 17.625 1.00 50.23 O ATOM 673 CB ASN A 414 -3.934 11.469 18.293 1.00 49.96 C ATOM 674 CG ASN A 414 -3.493 11.339 16.847 1.00 53.06 C ATOM 675 OD1 ASN A 414 -2.954 12.279 16.264 1.00 49.59 O ATOM 676 ND2 ASN A 414 -3.747 10.180 16.254 1.00 48.32 N ATOM 0 H ASN A 414 -5.572 11.879 20.129 1.00 45.66 H new ATOM 0 HA ASN A 414 -4.172 13.498 18.495 1.00 42.82 H new ATOM 0 HB2 ASN A 414 -3.152 11.481 18.866 1.00 49.96 H new ATOM 0 HB3 ASN A 414 -4.455 10.689 18.540 1.00 49.96 H new ATOM 0 HD21 ASN A 414 -3.533 10.063 15.429 1.00 48.32 H new ATOM 0 HD22 ASN A 414 -4.125 9.546 16.694 1.00 48.32 H new ATOM 677 N ARG A 415 -5.594 13.663 16.449 1.00 49.29 N ATOM 678 CA ARG A 415 -6.580 14.024 15.416 1.00 50.36 C ATOM 679 C ARG A 415 -7.727 14.828 16.041 1.00 47.79 C ATOM 680 O ARG A 415 -8.909 14.537 15.849 1.00 40.38 O ATOM 681 CB ARG A 415 -7.094 12.791 14.659 1.00 65.19 C ATOM 682 CG ARG A 415 -6.016 11.875 14.074 1.00 63.32 C ATOM 683 CD ARG A 415 -5.503 12.348 12.718 1.00 57.79 C ATOM 684 NE ARG A 415 -6.567 12.475 11.717 1.00 49.87 N ATOM 685 CZ ARG A 415 -7.195 11.462 11.115 1.00 43.97 C ATOM 686 NH1 ARG A 415 -6.901 10.189 11.384 1.00 47.30 N ATOM 687 NH2 ARG A 415 -8.142 11.725 10.227 1.00 38.17 N ATOM 0 H ARG A 415 -4.819 14.011 16.317 1.00 49.29 H new ATOM 0 HA ARG A 415 -6.139 14.584 14.758 1.00 50.36 H new ATOM 0 HB2 ARG A 415 -7.647 12.269 15.261 1.00 65.19 H new ATOM 0 HB3 ARG A 415 -7.667 13.091 13.936 1.00 65.19 H new ATOM 0 HG2 ARG A 415 -5.272 11.822 14.695 1.00 63.32 H new ATOM 0 HG3 ARG A 415 -6.375 10.978 13.984 1.00 63.32 H new ATOM 0 HD2 ARG A 415 -5.062 13.205 12.825 1.00 57.79 H new ATOM 0 HD3 ARG A 415 -4.834 11.724 12.395 1.00 57.79 H new ATOM 0 HE ARG A 415 -6.807 13.271 11.499 1.00 49.87 H new ATOM 0 HH11 ARG A 415 -6.291 10.001 11.960 1.00 47.30 H new ATOM 0 HH12 ARG A 415 -7.322 9.556 10.981 1.00 47.30 H new ATOM 0 HH21 ARG A 415 -8.346 12.540 10.044 1.00 38.17 H new ATOM 0 HH22 ARG A 415 -8.553 11.080 9.833 1.00 38.17 H new ATOM 688 N ILE A 416 -7.332 15.859 16.782 1.00 53.53 N ATOM 689 CA ILE A 416 -8.230 16.651 17.624 1.00 46.51 C ATOM 690 C ILE A 416 -8.938 17.738 16.818 1.00 46.03 C ATOM 691 O ILE A 416 -8.397 18.259 15.837 1.00 48.87 O ATOM 692 CB ILE A 416 -7.438 17.302 18.795 1.00 49.88 C ATOM 693 CG1 ILE A 416 -8.370 17.918 19.836 1.00 43.66 C ATOM 694 CG2 ILE A 416 -6.450 18.357 18.290 1.00 48.62 C ATOM 695 CD1 ILE A 416 -7.667 18.278 21.124 1.00 35.29 C ATOM 0 H ILE A 416 -6.515 16.125 16.811 1.00 53.53 H new ATOM 0 HA ILE A 416 -8.902 16.050 17.982 1.00 46.51 H new ATOM 0 HB ILE A 416 -6.936 16.588 19.219 1.00 49.88 H new ATOM 0 HG12 ILE A 416 -8.779 18.715 19.464 1.00 43.66 H new ATOM 0 HG13 ILE A 416 -9.087 17.294 20.029 1.00 43.66 H new ATOM 0 HG21 ILE A 416 -5.974 18.742 19.043 1.00 48.62 H new ATOM 0 HG22 ILE A 416 -5.815 17.943 17.685 1.00 48.62 H new ATOM 0 HG23 ILE A 416 -6.934 19.056 17.822 1.00 48.62 H new ATOM 0 HD11 ILE A 416 -8.305 18.663 21.745 1.00 35.29 H new ATOM 0 HD12 ILE A 416 -7.278 17.480 21.515 1.00 35.29 H new ATOM 0 HD13 ILE A 416 -6.966 18.922 20.941 1.00 35.29 H new ATOM 696 N GLY A 417 -10.152 18.066 17.245 1.00 53.47 N ATOM 697 CA GLY A 417 -10.891 19.220 16.739 1.00 54.26 C ATOM 698 C GLY A 417 -10.925 20.279 17.822 1.00 48.93 C ATOM 699 O GLY A 417 -11.087 19.948 18.998 1.00 50.10 O ATOM 0 H GLY A 417 -10.577 17.619 17.845 1.00 53.47 H new ATOM 0 HA2 GLY A 417 -10.466 19.568 15.940 1.00 54.26 H new ATOM 0 HA3 GLY A 417 -11.793 18.961 16.492 1.00 54.26 H new ATOM 700 N VAL A 418 -10.763 21.542 17.430 1.00 50.93 N ATOM 701 CA VAL A 418 -10.755 22.669 18.373 1.00 47.34 C ATOM 702 C VAL A 418 -11.519 23.880 17.819 1.00 45.60 C ATOM 703 O VAL A 418 -11.439 24.185 16.621 1.00 41.92 O ATOM 704 CB VAL A 418 -9.303 23.054 18.771 1.00 48.30 C ATOM 705 CG1 VAL A 418 -9.195 24.501 19.242 1.00 43.86 C ATOM 706 CG2 VAL A 418 -8.788 22.115 19.853 1.00 42.17 C ATOM 0 H VAL A 418 -10.654 21.773 16.609 1.00 50.93 H new ATOM 0 HA VAL A 418 -11.218 22.379 19.175 1.00 47.34 H new ATOM 0 HB VAL A 418 -8.755 22.966 17.975 1.00 48.30 H new ATOM 0 HG11 VAL A 418 -8.275 24.697 19.479 1.00 43.86 H new ATOM 0 HG12 VAL A 418 -9.478 25.095 18.530 1.00 43.86 H new ATOM 0 HG13 VAL A 418 -9.763 24.632 20.017 1.00 43.86 H new ATOM 0 HG21 VAL A 418 -7.882 22.364 20.094 1.00 42.17 H new ATOM 0 HG22 VAL A 418 -9.359 22.178 20.635 1.00 42.17 H new ATOM 0 HG23 VAL A 418 -8.795 21.204 19.521 1.00 42.17 H new ATOM 707 N GLY A 419 -12.268 24.542 18.707 1.00 39.80 N ATOM 708 CA GLY A 419 -12.948 25.804 18.413 1.00 39.85 C ATOM 709 C GLY A 419 -12.960 26.713 19.631 1.00 43.94 C ATOM 710 O GLY A 419 -12.804 26.237 20.762 1.00 40.44 O ATOM 0 H GLY A 419 -12.396 24.263 19.510 1.00 39.80 H new ATOM 0 HA2 GLY A 419 -12.503 26.251 17.676 1.00 39.85 H new ATOM 0 HA3 GLY A 419 -13.858 25.626 18.129 1.00 39.85 H new ATOM 711 N VAL A 420 -13.159 28.015 19.402 1.00 47.92 N ATOM 712 CA VAL A 420 -13.170 29.018 20.477 1.00 49.29 C ATOM 713 C VAL A 420 -14.485 29.794 20.560 1.00 42.55 C ATOM 714 O VAL A 420 -14.951 30.330 19.560 1.00 46.96 O ATOM 715 CB VAL A 420 -12.023 30.033 20.307 1.00 51.05 C ATOM 716 CG1 VAL A 420 -11.978 30.985 21.498 1.00 44.40 C ATOM 717 CG2 VAL A 420 -10.694 29.308 20.157 1.00 39.80 C ATOM 0 H VAL A 420 -13.292 28.343 18.618 1.00 47.92 H new ATOM 0 HA VAL A 420 -13.057 28.513 21.298 1.00 49.29 H new ATOM 0 HB VAL A 420 -12.184 30.551 19.503 1.00 51.05 H new ATOM 0 HG11 VAL A 420 -11.253 31.618 21.379 1.00 44.40 H new ATOM 0 HG12 VAL A 420 -12.819 31.465 21.561 1.00 44.40 H new ATOM 0 HG13 VAL A 420 -11.834 30.478 22.312 1.00 44.40 H new ATOM 0 HG21 VAL A 420 -9.981 29.957 20.051 1.00 39.80 H new ATOM 0 HG22 VAL A 420 -10.527 28.771 20.948 1.00 39.80 H new ATOM 0 HG23 VAL A 420 -10.725 28.733 19.377 1.00 39.80 H new ATOM 718 N ILE A 421 -15.057 29.857 21.764 1.00 48.26 N ATOM 719 CA ILE A 421 -16.249 30.667 22.058 1.00 46.12 C ATOM 720 C ILE A 421 -16.029 31.458 23.355 1.00 49.90 C ATOM 721 O ILE A 421 -15.825 30.865 24.417 1.00 52.70 O ATOM 722 CB ILE A 421 -17.517 29.797 22.233 1.00 51.72 C ATOM 723 CG1 ILE A 421 -17.693 28.824 21.054 1.00 51.21 C ATOM 724 CG2 ILE A 421 -18.747 30.686 22.385 1.00 46.44 C ATOM 725 CD1 ILE A 421 -18.936 27.962 21.145 1.00 41.44 C ATOM 0 H ILE A 421 -14.760 29.424 22.446 1.00 48.26 H new ATOM 0 HA ILE A 421 -16.383 31.262 21.303 1.00 46.12 H new ATOM 0 HB ILE A 421 -17.412 29.267 23.039 1.00 51.72 H new ATOM 0 HG12 ILE A 421 -17.723 29.333 20.229 1.00 51.21 H new ATOM 0 HG13 ILE A 421 -16.914 28.248 21.003 1.00 51.21 H new ATOM 0 HG21 ILE A 421 -19.536 30.132 22.494 1.00 46.44 H new ATOM 0 HG22 ILE A 421 -18.642 31.254 23.164 1.00 46.44 H new ATOM 0 HG23 ILE A 421 -18.847 31.238 21.594 1.00 46.44 H new ATOM 0 HD11 ILE A 421 -18.981 27.377 20.373 1.00 41.44 H new ATOM 0 HD12 ILE A 421 -18.901 27.427 21.954 1.00 41.44 H new ATOM 0 HD13 ILE A 421 -19.723 28.529 21.167 1.00 41.44 H new ATOM 726 N ASP A 422 -16.082 32.788 23.260 1.00 53.88 N ATOM 727 CA ASP A 422 -15.933 33.698 24.406 1.00 48.50 C ATOM 728 C ASP A 422 -14.627 33.471 25.178 1.00 54.74 C ATOM 729 O ASP A 422 -14.621 33.376 26.411 1.00 56.00 O ATOM 730 CB ASP A 422 -17.159 33.620 25.343 1.00 48.17 C ATOM 731 CG ASP A 422 -18.349 34.426 24.838 1.00 50.90 C ATOM 732 OD1 ASP A 422 -18.176 35.590 24.407 1.00 52.45 O ATOM 733 OD2 ASP A 422 -19.476 33.904 24.907 1.00 44.66 O ATOM 0 H ASP A 422 -16.208 33.197 22.514 1.00 53.88 H new ATOM 0 HA ASP A 422 -15.885 34.596 24.043 1.00 48.50 H new ATOM 0 HB2 ASP A 422 -17.423 32.692 25.444 1.00 48.17 H new ATOM 0 HB3 ASP A 422 -16.908 33.941 26.223 1.00 48.17 H new ATOM 734 N GLY A 423 -13.524 33.383 24.439 1.00 53.39 N ATOM 735 CA GLY A 423 -12.200 33.196 25.034 1.00 53.52 C ATOM 736 C GLY A 423 -12.022 31.897 25.805 1.00 51.24 C ATOM 737 O GLY A 423 -11.249 31.854 26.767 1.00 55.41 O ATOM 0 H GLY A 423 -13.520 33.430 23.580 1.00 53.39 H new ATOM 0 HA2 GLY A 423 -11.535 33.232 24.329 1.00 53.52 H new ATOM 0 HA3 GLY A 423 -12.020 33.939 25.632 1.00 53.52 H new ATOM 738 N HIS A 424 -12.744 30.852 25.386 1.00 52.19 N ATOM 739 CA HIS A 424 -12.641 29.512 25.970 1.00 51.45 C ATOM 740 C HIS A 424 -12.425 28.498 24.879 1.00 50.10 C ATOM 741 O HIS A 424 -13.151 28.500 23.877 1.00 44.32 O ATOM 742 CB HIS A 424 -13.902 29.148 26.742 1.00 58.02 C ATOM 743 CG HIS A 424 -14.298 30.158 27.791 1.00 70.29 C ATOM 744 ND1 HIS A 424 -15.549 30.645 27.888 1.00 80.27 N ATOM 745 CD2 HIS A 424 -13.558 30.768 28.802 1.00 71.44 C ATOM 746 CE1 HIS A 424 -15.609 31.521 28.910 1.00 74.37 C ATOM 747 NE2 HIS A 424 -14.390 31.595 29.468 1.00 58.19 N ATOM 0 H HIS A 424 -13.315 30.904 24.745 1.00 52.19 H new ATOM 0 HA HIS A 424 -11.890 29.510 26.584 1.00 51.45 H new ATOM 0 HB2 HIS A 424 -14.635 29.044 26.115 1.00 58.02 H new ATOM 0 HB3 HIS A 424 -13.770 28.287 27.169 1.00 58.02 H new ATOM 0 HD2 HIS A 424 -12.656 30.630 28.984 1.00 71.44 H new ATOM 0 HE1 HIS A 424 -16.363 31.992 29.182 1.00 74.37 H new ATOM 0 HE2 HIS A 424 -14.175 32.088 30.139 1.00 58.19 H new ATOM 748 N ILE A 425 -11.441 27.618 25.078 1.00 46.51 N ATOM 749 CA ILE A 425 -11.026 26.636 24.073 1.00 44.74 C ATOM 750 C ILE A 425 -11.743 25.316 24.318 1.00 46.42 C ATOM 751 O ILE A 425 -11.574 24.715 25.380 1.00 45.33 O ATOM 752 CB ILE A 425 -9.504 26.334 24.133 1.00 44.18 C ATOM 753 CG1 ILE A 425 -8.669 27.620 24.089 1.00 40.16 C ATOM 754 CG2 ILE A 425 -9.101 25.401 22.995 1.00 40.19 C ATOM 755 CD1 ILE A 425 -7.205 27.391 24.394 1.00 43.82 C ATOM 0 H ILE A 425 -10.991 27.574 25.809 1.00 46.51 H new ATOM 0 HA ILE A 425 -11.246 27.018 23.209 1.00 44.74 H new ATOM 0 HB ILE A 425 -9.325 25.895 24.980 1.00 44.18 H new ATOM 0 HG12 ILE A 425 -8.751 28.022 23.210 1.00 40.16 H new ATOM 0 HG13 ILE A 425 -9.031 28.255 24.727 1.00 40.16 H new ATOM 0 HG21 ILE A 425 -8.149 25.221 23.045 1.00 40.19 H new ATOM 0 HG22 ILE A 425 -9.591 24.567 23.071 1.00 40.19 H new ATOM 0 HG23 ILE A 425 -9.306 25.820 22.145 1.00 40.19 H new ATOM 0 HD11 ILE A 425 -6.730 28.235 24.352 1.00 43.82 H new ATOM 0 HD12 ILE A 425 -7.115 27.014 25.283 1.00 43.82 H new ATOM 0 HD13 ILE A 425 -6.831 26.777 23.743 1.00 43.82 H new ATOM 756 N TYR A 426 -12.517 24.867 23.328 1.00 47.27 N ATOM 757 CA TYR A 426 -13.181 23.564 23.376 1.00 46.70 C ATOM 758 C TYR A 426 -12.339 22.504 22.661 1.00 43.79 C ATOM 759 O TYR A 426 -12.025 22.653 21.482 1.00 39.37 O ATOM 760 CB TYR A 426 -14.577 23.642 22.747 1.00 50.22 C ATOM 761 CG TYR A 426 -15.569 24.402 23.597 1.00 53.11 C ATOM 762 CD1 TYR A 426 -15.702 25.783 23.478 1.00 47.56 C ATOM 763 CD2 TYR A 426 -16.363 23.744 24.536 1.00 54.80 C ATOM 764 CE1 TYR A 426 -16.603 26.486 24.261 1.00 50.24 C ATOM 765 CE2 TYR A 426 -17.268 24.443 25.328 1.00 56.87 C ATOM 766 CZ TYR A 426 -17.385 25.814 25.184 1.00 54.05 C ATOM 767 OH TYR A 426 -18.273 26.524 25.960 1.00 53.34 O ATOM 0 H TYR A 426 -12.672 25.311 22.608 1.00 47.27 H new ATOM 0 HA TYR A 426 -13.276 23.309 24.307 1.00 46.70 H new ATOM 0 HB2 TYR A 426 -14.511 24.068 21.878 1.00 50.22 H new ATOM 0 HB3 TYR A 426 -14.909 22.743 22.598 1.00 50.22 H new ATOM 0 HD1 TYR A 426 -15.177 26.241 22.862 1.00 47.56 H new ATOM 0 HD2 TYR A 426 -16.286 22.822 24.634 1.00 54.80 H new ATOM 0 HE1 TYR A 426 -16.682 27.408 24.167 1.00 50.24 H new ATOM 0 HE2 TYR A 426 -17.791 23.992 25.950 1.00 56.87 H new ATOM 0 HH TYR A 426 -18.681 25.998 26.472 1.00 53.34 H new ATOM 768 N ALA A 427 -11.985 21.444 23.385 1.00 37.96 N ATOM 769 CA ALA A 427 -11.285 20.290 22.826 1.00 43.95 C ATOM 770 C ALA A 427 -12.298 19.193 22.438 1.00 52.19 C ATOM 771 O ALA A 427 -12.931 18.592 23.315 1.00 44.16 O ATOM 772 CB ALA A 427 -10.283 19.756 23.836 1.00 42.81 C ATOM 0 H ALA A 427 -12.147 21.374 24.227 1.00 37.96 H new ATOM 0 HA ALA A 427 -10.807 20.563 22.027 1.00 43.95 H new ATOM 0 HB1 ALA A 427 -9.821 18.990 23.460 1.00 42.81 H new ATOM 0 HB2 ALA A 427 -9.639 20.449 24.050 1.00 42.81 H new ATOM 0 HB3 ALA A 427 -10.749 19.488 24.643 1.00 42.81 H new ATOM 773 N VAL A 428 -12.421 18.924 21.135 1.00 41.68 N ATOM 774 CA VAL A 428 -13.456 18.033 20.588 1.00 47.21 C ATOM 775 C VAL A 428 -12.880 16.709 20.087 1.00 46.18 C ATOM 776 O VAL A 428 -12.013 16.702 19.212 1.00 51.56 O ATOM 777 CB VAL A 428 -14.165 18.708 19.393 1.00 51.73 C ATOM 778 CG1 VAL A 428 -15.241 17.803 18.823 1.00 43.29 C ATOM 779 CG2 VAL A 428 -14.736 20.066 19.795 1.00 42.31 C ATOM 0 H VAL A 428 -11.901 19.256 20.536 1.00 41.68 H new ATOM 0 HA VAL A 428 -14.075 17.858 21.314 1.00 47.21 H new ATOM 0 HB VAL A 428 -13.507 18.860 18.696 1.00 51.73 H new ATOM 0 HG11 VAL A 428 -15.673 18.245 18.075 1.00 43.29 H new ATOM 0 HG12 VAL A 428 -14.839 16.974 18.520 1.00 43.29 H new ATOM 0 HG13 VAL A 428 -15.900 17.611 19.509 1.00 43.29 H new ATOM 0 HG21 VAL A 428 -15.176 20.471 19.031 1.00 42.31 H new ATOM 0 HG22 VAL A 428 -15.378 19.948 20.512 1.00 42.31 H new ATOM 0 HG23 VAL A 428 -14.017 20.643 20.097 1.00 42.31 H new ATOM 780 N GLY A 429 -13.365 15.599 20.639 1.00 48.41 N ATOM 781 CA GLY A 429 -13.083 14.261 20.101 1.00 53.52 C ATOM 782 C GLY A 429 -11.623 13.831 20.155 1.00 55.27 C ATOM 783 O GLY A 429 -10.957 14.009 21.179 1.00 51.78 O ATOM 0 H GLY A 429 -13.868 15.596 21.337 1.00 48.41 H new ATOM 0 HA2 GLY A 429 -13.614 13.613 20.591 1.00 53.52 H new ATOM 0 HA3 GLY A 429 -13.380 14.231 19.178 1.00 53.52 H new ATOM 784 N GLY A 430 -11.132 13.256 19.056 1.00 47.85 N ATOM 785 CA GLY A 430 -9.761 12.739 18.976 1.00 47.60 C ATOM 786 C GLY A 430 -9.602 11.362 19.608 1.00 49.52 C ATOM 787 O GLY A 430 -10.523 10.863 20.255 1.00 56.15 O ATOM 0 H GLY A 430 -11.585 13.154 18.332 1.00 47.85 H new ATOM 0 HA2 GLY A 430 -9.492 12.694 18.045 1.00 47.60 H new ATOM 0 HA3 GLY A 430 -9.161 13.361 19.415 1.00 47.60 H new ATOM 788 N SER A 431 -8.428 10.751 19.422 1.00 50.82 N ATOM 789 CA SER A 431 -8.176 9.368 19.858 1.00 47.86 C ATOM 790 C SER A 431 -7.055 9.249 20.884 1.00 44.07 C ATOM 791 O SER A 431 -6.216 10.140 21.013 1.00 41.16 O ATOM 792 CB SER A 431 -7.867 8.466 18.649 1.00 44.28 C ATOM 793 OG SER A 431 -6.573 8.692 18.105 1.00 40.27 O ATOM 0 H SER A 431 -7.754 11.125 19.040 1.00 50.82 H new ATOM 0 HA SER A 431 -8.991 9.074 20.293 1.00 47.86 H new ATOM 0 HB2 SER A 431 -7.942 7.537 18.917 1.00 44.28 H new ATOM 0 HB3 SER A 431 -8.533 8.617 17.960 1.00 44.28 H new ATOM 0 HG SER A 431 -6.450 8.178 17.452 1.00 40.27 H new ATOM 794 N HIS A 432 -7.074 8.140 21.621 1.00 50.02 N ATOM 795 CA HIS A 432 -5.947 7.715 22.454 1.00 54.90 C ATOM 796 C HIS A 432 -5.806 6.221 22.348 1.00 57.23 C ATOM 797 O HIS A 432 -6.514 5.471 23.031 1.00 56.91 O ATOM 798 CB HIS A 432 -6.127 8.148 23.905 1.00 52.40 C ATOM 799 CG HIS A 432 -5.035 7.652 24.826 1.00 65.39 C ATOM 800 ND1 HIS A 432 -3.746 7.556 24.436 1.00 63.14 N ATOM 801 CD2 HIS A 432 -5.078 7.222 26.151 1.00 73.06 C ATOM 802 CE1 HIS A 432 -3.004 7.085 25.455 1.00 65.67 C ATOM 803 NE2 HIS A 432 -3.819 6.882 26.505 1.00 80.12 N ATOM 0 H HIS A 432 -7.748 7.607 21.653 1.00 50.02 H new ATOM 0 HA HIS A 432 -5.137 8.143 22.135 1.00 54.90 H new ATOM 0 HB2 HIS A 432 -6.157 9.117 23.944 1.00 52.40 H new ATOM 0 HB3 HIS A 432 -6.983 7.825 24.227 1.00 52.40 H new ATOM 0 HD1 HIS A 432 -3.446 7.764 23.657 1.00 63.14 H new ATOM 0 HD2 HIS A 432 -5.833 7.177 26.692 1.00 73.06 H new ATOM 0 HE1 HIS A 432 -2.088 6.927 25.436 1.00 65.67 H new ATOM 804 N GLY A 433 -4.891 5.778 21.484 1.00 55.73 N ATOM 805 CA GLY A 433 -4.752 4.357 21.171 1.00 55.80 C ATOM 806 C GLY A 433 -5.982 3.881 20.417 1.00 49.20 C ATOM 807 O GLY A 433 -6.332 4.459 19.389 1.00 51.60 O ATOM 0 H GLY A 433 -4.339 6.289 21.067 1.00 55.73 H new ATOM 0 HA2 GLY A 433 -3.956 4.210 20.636 1.00 55.80 H new ATOM 0 HA3 GLY A 433 -4.643 3.845 21.988 1.00 55.80 H new ATOM 808 N CYS A 434 -6.647 2.853 20.943 1.00 57.62 N ATOM 809 CA CYS A 434 -7.882 2.310 20.347 1.00 58.38 C ATOM 810 C CYS A 434 -9.147 3.092 20.739 1.00 52.95 C ATOM 811 O CYS A 434 -10.179 2.944 20.083 1.00 51.85 O ATOM 812 CB CYS A 434 -8.066 0.836 20.734 1.00 64.49 C ATOM 813 SG CYS A 434 -6.604 -0.209 20.524 1.00 58.56 S ATOM 0 H CYS A 434 -6.398 2.446 21.658 1.00 57.62 H new ATOM 0 HA CYS A 434 -7.771 2.398 19.387 1.00 58.38 H new ATOM 0 HB2 CYS A 434 -8.345 0.793 21.662 1.00 64.49 H new ATOM 0 HB3 CYS A 434 -8.789 0.466 20.203 1.00 64.49 H new ATOM 0 HG CYS A 434 -6.863 -1.332 20.857 1.00 58.56 H new ATOM 814 N ILE A 435 -9.071 3.895 21.809 1.00 53.81 N ATOM 815 CA ILE A 435 -10.194 4.738 22.269 1.00 54.00 C ATOM 816 C ILE A 435 -10.421 5.913 21.304 1.00 57.22 C ATOM 817 O ILE A 435 -9.509 6.706 21.069 1.00 63.48 O ATOM 818 CB ILE A 435 -9.944 5.308 23.697 1.00 48.94 C ATOM 819 CG1 ILE A 435 -9.885 4.191 24.748 1.00 47.35 C ATOM 820 CG2 ILE A 435 -11.025 6.307 24.092 1.00 49.37 C ATOM 821 CD1 ILE A 435 -8.964 4.505 25.911 1.00 51.29 C ATOM 0 H ILE A 435 -8.364 3.968 22.293 1.00 53.81 H new ATOM 0 HA ILE A 435 -10.979 4.169 22.292 1.00 54.00 H new ATOM 0 HB ILE A 435 -9.086 5.760 23.669 1.00 48.94 H new ATOM 0 HG12 ILE A 435 -10.779 4.028 25.087 1.00 47.35 H new ATOM 0 HG13 ILE A 435 -9.589 3.371 24.322 1.00 47.35 H new ATOM 0 HG21 ILE A 435 -10.844 6.644 24.983 1.00 49.37 H new ATOM 0 HG22 ILE A 435 -11.030 7.045 23.462 1.00 49.37 H new ATOM 0 HG23 ILE A 435 -11.890 5.869 24.082 1.00 49.37 H new ATOM 0 HD11 ILE A 435 -8.970 3.765 26.538 1.00 51.29 H new ATOM 0 HD12 ILE A 435 -8.062 4.642 25.582 1.00 51.29 H new ATOM 0 HD13 ILE A 435 -9.270 5.309 26.359 1.00 51.29 H new ATOM 822 N HIS A 436 -11.630 6.007 20.750 1.00 55.41 N ATOM 823 CA HIS A 436 -12.039 7.135 19.907 1.00 55.02 C ATOM 824 C HIS A 436 -12.995 7.960 20.723 1.00 54.23 C ATOM 825 O HIS A 436 -14.124 7.531 20.976 1.00 64.31 O ATOM 826 CB HIS A 436 -12.698 6.635 18.619 1.00 54.87 C ATOM 827 CG HIS A 436 -11.818 5.717 17.798 1.00 60.05 C ATOM 828 ND1 HIS A 436 -11.657 4.411 18.092 1.00 60.14 N ATOM 829 CD2 HIS A 436 -11.041 5.964 16.670 1.00 65.62 C ATOM 830 CE1 HIS A 436 -10.819 3.851 17.198 1.00 62.48 C ATOM 831 NE2 HIS A 436 -10.441 4.801 16.330 1.00 62.83 N ATOM 0 H HIS A 436 -12.243 5.412 20.853 1.00 55.41 H new ATOM 0 HA HIS A 436 -11.274 7.667 19.639 1.00 55.02 H new ATOM 0 HB2 HIS A 436 -13.517 6.167 18.845 1.00 54.87 H new ATOM 0 HB3 HIS A 436 -12.949 7.399 18.076 1.00 54.87 H new ATOM 0 HD2 HIS A 436 -10.951 6.779 16.231 1.00 65.62 H new ATOM 0 HE1 HIS A 436 -10.550 2.961 17.185 1.00 62.48 H new ATOM 0 HE2 HIS A 436 -9.905 4.689 15.667 1.00 62.83 H new ATOM 832 N HIS A 437 -12.557 9.141 21.160 1.00 51.18 N ATOM 833 CA HIS A 437 -13.328 9.933 22.129 1.00 53.58 C ATOM 834 C HIS A 437 -14.566 10.538 21.524 1.00 53.91 C ATOM 835 O HIS A 437 -14.547 10.982 20.369 1.00 45.00 O ATOM 836 CB HIS A 437 -12.497 11.067 22.729 1.00 46.04 C ATOM 837 CG HIS A 437 -11.267 10.614 23.477 1.00 46.09 C ATOM 838 ND1 HIS A 437 -11.324 9.761 24.512 1.00 50.44 N ATOM 839 CD2 HIS A 437 -9.924 10.969 23.332 1.00 43.51 C ATOM 840 CE1 HIS A 437 -10.079 9.559 24.996 1.00 53.30 C ATOM 841 NE2 HIS A 437 -9.225 10.300 24.271 1.00 40.82 N ATOM 0 H HIS A 437 -11.818 9.503 20.910 1.00 51.18 H new ATOM 0 HA HIS A 437 -13.583 9.305 22.823 1.00 53.58 H new ATOM 0 HB2 HIS A 437 -12.226 11.666 22.016 1.00 46.04 H new ATOM 0 HB3 HIS A 437 -13.058 11.580 23.332 1.00 46.04 H new ATOM 0 HD2 HIS A 437 -9.576 11.559 22.703 1.00 43.51 H new ATOM 0 HE1 HIS A 437 -9.853 9.004 25.707 1.00 53.30 H new ATOM 0 HE2 HIS A 437 -8.374 10.341 24.387 1.00 40.82 H new ATOM 842 N ASN A 438 -15.657 10.526 22.297 1.00 48.43 N ATOM 843 CA ASN A 438 -16.799 11.428 22.071 1.00 47.47 C ATOM 844 C ASN A 438 -16.870 12.537 23.119 1.00 46.05 C ATOM 845 O ASN A 438 -17.677 13.461 22.995 1.00 51.73 O ATOM 846 CB ASN A 438 -18.133 10.670 22.022 1.00 48.09 C ATOM 847 CG ASN A 438 -18.468 9.958 23.315 1.00 40.45 C ATOM 848 OD1 ASN A 438 -17.690 9.946 24.270 1.00 42.39 O ATOM 849 ND2 ASN A 438 -19.636 9.338 23.339 1.00 44.75 N ATOM 0 H ASN A 438 -15.758 9.996 22.967 1.00 48.43 H new ATOM 0 HA ASN A 438 -16.649 11.836 21.204 1.00 47.47 H new ATOM 0 HB2 ASN A 438 -18.845 11.295 21.811 1.00 48.09 H new ATOM 0 HB3 ASN A 438 -18.102 10.021 21.302 1.00 48.09 H new ATOM 0 HD21 ASN A 438 -19.878 8.904 24.041 1.00 44.75 H new ATOM 0 HD22 ASN A 438 -20.153 9.369 22.653 1.00 44.75 H new ATOM 850 N SER A 439 -16.034 12.442 24.150 1.00 47.21 N ATOM 851 CA SER A 439 -15.965 13.472 25.172 1.00 53.24 C ATOM 852 C SER A 439 -15.516 14.810 24.580 1.00 59.33 C ATOM 853 O SER A 439 -14.914 14.870 23.500 1.00 47.53 O ATOM 854 CB SER A 439 -15.037 13.050 26.314 1.00 47.13 C ATOM 855 OG SER A 439 -13.744 12.736 25.836 1.00 54.62 O ATOM 0 H SER A 439 -15.496 11.782 24.273 1.00 47.21 H new ATOM 0 HA SER A 439 -16.858 13.588 25.533 1.00 53.24 H new ATOM 0 HB2 SER A 439 -14.978 13.765 26.967 1.00 47.13 H new ATOM 0 HB3 SER A 439 -15.411 12.280 26.770 1.00 47.13 H new ATOM 0 HG SER A 439 -13.254 12.509 26.480 1.00 54.62 H new ATOM 856 N VAL A 440 -15.884 15.876 25.280 1.00 58.02 N ATOM 857 CA VAL A 440 -15.458 17.228 24.957 1.00 52.09 C ATOM 858 C VAL A 440 -15.140 17.918 26.275 1.00 51.83 C ATOM 859 O VAL A 440 -15.796 17.654 27.284 1.00 62.51 O ATOM 860 CB VAL A 440 -16.550 18.002 24.198 1.00 43.76 C ATOM 861 CG1 VAL A 440 -16.111 19.430 23.908 1.00 36.34 C ATOM 862 CG2 VAL A 440 -16.899 17.282 22.909 1.00 41.25 C ATOM 0 H VAL A 440 -16.398 15.832 25.968 1.00 58.02 H new ATOM 0 HA VAL A 440 -14.682 17.202 24.375 1.00 52.09 H new ATOM 0 HB VAL A 440 -17.339 18.042 24.760 1.00 43.76 H new ATOM 0 HG11 VAL A 440 -16.816 19.895 23.430 1.00 36.34 H new ATOM 0 HG12 VAL A 440 -15.930 19.889 24.743 1.00 36.34 H new ATOM 0 HG13 VAL A 440 -15.307 19.418 23.366 1.00 36.34 H new ATOM 0 HG21 VAL A 440 -17.588 17.777 22.438 1.00 41.25 H new ATOM 0 HG22 VAL A 440 -16.109 17.217 22.350 1.00 41.25 H new ATOM 0 HG23 VAL A 440 -17.224 16.391 23.113 1.00 41.25 H new ATOM 863 N GLU A 441 -14.114 18.765 26.266 1.00 52.82 N ATOM 864 CA GLU A 441 -13.717 19.529 27.453 1.00 50.65 C ATOM 865 C GLU A 441 -13.332 20.944 27.063 1.00 46.40 C ATOM 866 O GLU A 441 -13.008 21.211 25.903 1.00 49.93 O ATOM 867 CB GLU A 441 -12.596 18.824 28.239 1.00 55.06 C ATOM 868 CG GLU A 441 -11.434 18.288 27.408 1.00 55.16 C ATOM 869 CD GLU A 441 -10.508 17.407 28.220 1.00 49.28 C ATOM 870 OE1 GLU A 441 -9.993 17.884 29.254 1.00 52.73 O ATOM 871 OE2 GLU A 441 -10.298 16.234 27.829 1.00 41.71 O ATOM 0 H GLU A 441 -13.627 18.915 25.573 1.00 52.82 H new ATOM 0 HA GLU A 441 -14.480 19.579 28.050 1.00 50.65 H new ATOM 0 HB2 GLU A 441 -12.243 19.447 28.893 1.00 55.06 H new ATOM 0 HB3 GLU A 441 -12.986 18.085 28.732 1.00 55.06 H new ATOM 0 HG2 GLU A 441 -11.782 17.783 26.657 1.00 55.16 H new ATOM 0 HG3 GLU A 441 -10.931 19.032 27.041 1.00 55.16 H new ATOM 872 N ARG A 442 -13.369 21.833 28.054 1.00 48.80 N ATOM 873 CA ARG A 442 -13.369 23.278 27.853 1.00 47.68 C ATOM 874 C ARG A 442 -12.282 23.919 28.717 1.00 45.95 C ATOM 875 O ARG A 442 -12.214 23.652 29.917 1.00 50.29 O ATOM 876 CB ARG A 442 -14.759 23.795 28.235 1.00 63.74 C ATOM 877 CG ARG A 442 -14.998 25.298 28.145 1.00 73.74 C ATOM 878 CD ARG A 442 -16.331 25.667 28.787 1.00 78.30 C ATOM 879 NE ARG A 442 -16.319 27.016 29.354 1.00 93.53 N ATOM 880 CZ ARG A 442 -17.232 27.507 30.198 1.00104.71 C ATOM 881 NH1 ARG A 442 -18.273 26.775 30.602 1.00100.36 N ATOM 882 NH2 ARG A 442 -17.103 28.755 30.647 1.00116.03 N ATOM 0 H ARG A 442 -13.395 21.605 28.883 1.00 48.80 H new ATOM 0 HA ARG A 442 -13.178 23.505 26.929 1.00 47.68 H new ATOM 0 HB2 ARG A 442 -15.410 23.354 27.667 1.00 63.74 H new ATOM 0 HB3 ARG A 442 -14.943 23.516 29.146 1.00 63.74 H new ATOM 0 HG2 ARG A 442 -14.277 25.773 28.588 1.00 73.74 H new ATOM 0 HG3 ARG A 442 -14.992 25.577 27.216 1.00 73.74 H new ATOM 0 HD2 ARG A 442 -17.036 25.603 28.124 1.00 78.30 H new ATOM 0 HD3 ARG A 442 -16.540 25.027 29.485 1.00 78.30 H new ATOM 0 HE ARG A 442 -15.672 27.535 29.126 1.00 93.53 H new ATOM 0 HH11 ARG A 442 -18.367 25.968 30.319 1.00100.36 H new ATOM 0 HH12 ARG A 442 -18.849 27.110 31.146 1.00100.36 H new ATOM 0 HH21 ARG A 442 -16.437 29.236 30.394 1.00116.03 H new ATOM 0 HH22 ARG A 442 -17.686 29.079 31.190 1.00116.03 H new ATOM 883 N TYR A 443 -11.443 24.759 28.109 1.00 54.17 N ATOM 884 CA TYR A 443 -10.315 25.400 28.804 1.00 58.60 C ATOM 885 C TYR A 443 -10.603 26.863 29.132 1.00 54.85 C ATOM 886 O TYR A 443 -11.055 27.620 28.271 1.00 42.00 O ATOM 887 CB TYR A 443 -9.049 25.324 27.952 1.00 51.90 C ATOM 888 CG TYR A 443 -7.809 25.932 28.587 1.00 47.26 C ATOM 889 CD1 TYR A 443 -7.171 25.307 29.660 1.00 48.15 C ATOM 890 CD2 TYR A 443 -7.268 27.127 28.104 1.00 39.92 C ATOM 891 CE1 TYR A 443 -6.033 25.858 30.238 1.00 44.78 C ATOM 892 CE2 TYR A 443 -6.133 27.681 28.668 1.00 49.50 C ATOM 893 CZ TYR A 443 -5.519 27.049 29.738 1.00 50.38 C ATOM 894 OH TYR A 443 -4.395 27.611 30.299 1.00 47.52 O ATOM 0 H TYR A 443 -11.509 24.976 27.279 1.00 54.17 H new ATOM 0 HA TYR A 443 -10.186 24.917 29.635 1.00 58.60 H new ATOM 0 HB2 TYR A 443 -8.868 24.393 27.748 1.00 51.90 H new ATOM 0 HB3 TYR A 443 -9.216 25.772 27.108 1.00 51.90 H new ATOM 0 HD1 TYR A 443 -7.513 24.509 29.994 1.00 48.15 H new ATOM 0 HD2 TYR A 443 -7.679 27.558 27.390 1.00 39.92 H new ATOM 0 HE1 TYR A 443 -5.619 25.433 30.954 1.00 44.78 H new ATOM 0 HE2 TYR A 443 -5.783 28.474 28.331 1.00 49.50 H new ATOM 0 HH TYR A 443 -4.143 27.144 30.950 1.00 47.52 H new ATOM 895 N GLU A 444 -10.307 27.245 30.374 1.00 56.84 N ATOM 896 CA GLU A 444 -10.452 28.617 30.855 1.00 61.81 C ATOM 897 C GLU A 444 -9.043 29.185 31.063 1.00 57.32 C ATOM 898 O GLU A 444 -8.388 28.830 32.049 1.00 58.56 O ATOM 899 CB GLU A 444 -11.254 28.630 32.168 1.00 71.07 C ATOM 900 CG GLU A 444 -12.719 28.221 32.002 1.00 77.44 C ATOM 901 CD GLU A 444 -13.448 27.930 33.311 1.00 77.43 C ATOM 902 OE1 GLU A 444 -12.946 28.283 34.398 1.00 70.65 O ATOM 903 OE2 GLU A 444 -14.551 27.347 33.251 1.00 96.10 O ATOM 0 H GLU A 444 -10.010 26.702 30.972 1.00 56.84 H new ATOM 0 HA GLU A 444 -10.935 29.161 30.214 1.00 61.81 H new ATOM 0 HB2 GLU A 444 -10.830 28.031 32.802 1.00 71.07 H new ATOM 0 HB3 GLU A 444 -11.217 29.521 32.551 1.00 71.07 H new ATOM 0 HG2 GLU A 444 -13.189 28.928 31.534 1.00 77.44 H new ATOM 0 HG3 GLU A 444 -12.761 27.432 31.440 1.00 77.44 H new ATOM 904 N PRO A 445 -8.552 30.031 30.121 1.00 49.39 N ATOM 905 CA PRO A 445 -7.224 30.657 30.240 1.00 59.38 C ATOM 906 C PRO A 445 -6.964 31.422 31.540 1.00 70.90 C ATOM 907 O PRO A 445 -5.873 31.302 32.098 1.00 74.51 O ATOM 908 CB PRO A 445 -7.182 31.618 29.045 1.00 53.44 C ATOM 909 CG PRO A 445 -8.038 30.970 28.027 1.00 42.13 C ATOM 910 CD PRO A 445 -9.137 30.281 28.788 1.00 45.65 C ATOM 0 HA PRO A 445 -6.537 29.973 30.250 1.00 59.38 H new ATOM 0 HB2 PRO A 445 -7.519 32.496 29.284 1.00 53.44 H new ATOM 0 HB3 PRO A 445 -6.276 31.740 28.720 1.00 53.44 H new ATOM 0 HG2 PRO A 445 -8.401 31.625 27.410 1.00 42.13 H new ATOM 0 HG3 PRO A 445 -7.530 30.334 27.499 1.00 42.13 H new ATOM 0 HD2 PRO A 445 -9.930 30.837 28.847 1.00 45.65 H new ATOM 0 HD3 PRO A 445 -9.402 29.454 28.356 1.00 45.65 H new ATOM 911 N GLU A 446 -7.953 32.185 32.007 1.00 81.95 N ATOM 912 CA GLU A 446 -7.809 32.991 33.231 1.00 80.57 C ATOM 913 C GLU A 446 -7.632 32.176 34.525 1.00 73.59 C ATOM 914 O GLU A 446 -7.065 32.687 35.491 1.00 77.03 O ATOM 915 CB GLU A 446 -8.980 33.971 33.382 1.00 92.58 C ATOM 916 CG GLU A 446 -8.947 35.121 32.384 1.00105.80 C ATOM 917 CD GLU A 446 -10.035 36.159 32.629 1.00120.85 C ATOM 918 OE1 GLU A 446 -10.199 36.609 33.786 1.00102.29 O ATOM 919 OE2 GLU A 446 -10.724 36.540 31.659 1.00135.32 O ATOM 0 H GLU A 446 -8.723 32.253 31.629 1.00 81.95 H new ATOM 0 HA GLU A 446 -6.979 33.478 33.111 1.00 80.57 H new ATOM 0 HB2 GLU A 446 -9.813 33.486 33.277 1.00 92.58 H new ATOM 0 HB3 GLU A 446 -8.974 34.334 34.282 1.00 92.58 H new ATOM 0 HG2 GLU A 446 -8.080 35.554 32.426 1.00105.80 H new ATOM 0 HG3 GLU A 446 -9.043 34.766 31.487 1.00105.80 H new ATOM 920 N ARG A 447 -8.117 30.930 34.539 1.00 68.90 N ATOM 921 CA ARG A 447 -7.895 29.987 35.656 1.00 66.21 C ATOM 922 C ARG A 447 -6.878 28.879 35.352 1.00 60.99 C ATOM 923 O ARG A 447 -6.371 28.258 36.285 1.00 63.68 O ATOM 924 CB ARG A 447 -9.222 29.349 36.095 1.00 67.85 C ATOM 925 CG ARG A 447 -10.059 30.235 37.009 1.00 78.21 C ATOM 926 CD ARG A 447 -11.549 29.974 36.846 1.00 94.44 C ATOM 927 NE ARG A 447 -12.041 30.454 35.550 1.00107.24 N ATOM 928 CZ ARG A 447 -12.356 31.719 35.245 1.00119.01 C ATOM 929 NH1 ARG A 447 -12.246 32.709 36.137 1.00110.03 N ATOM 930 NH2 ARG A 447 -12.788 32.001 34.016 1.00122.24 N ATOM 0 H ARG A 447 -8.588 30.602 33.899 1.00 68.90 H new ATOM 0 HA ARG A 447 -7.519 30.523 36.372 1.00 66.21 H new ATOM 0 HB2 ARG A 447 -9.742 29.130 35.306 1.00 67.85 H new ATOM 0 HB3 ARG A 447 -9.034 28.514 36.552 1.00 67.85 H new ATOM 0 HG2 ARG A 447 -9.803 30.080 37.932 1.00 78.21 H new ATOM 0 HG3 ARG A 447 -9.871 31.167 36.816 1.00 78.21 H new ATOM 0 HD2 ARG A 447 -11.723 29.023 36.927 1.00 94.44 H new ATOM 0 HD3 ARG A 447 -12.036 30.413 37.561 1.00 94.44 H new ATOM 0 HE ARG A 447 -12.136 29.868 34.928 1.00107.24 H new ATOM 0 HH11 ARG A 447 -11.966 32.542 36.933 1.00110.03 H new ATOM 0 HH12 ARG A 447 -12.455 33.513 35.915 1.00110.03 H new ATOM 0 HH21 ARG A 447 -12.861 31.374 33.432 1.00122.24 H new ATOM 0 HH22 ARG A 447 -12.994 32.810 33.807 1.00122.24 H new ATOM 931 N ASP A 448 -6.591 28.632 34.067 1.00 62.52 N ATOM 932 CA ASP A 448 -5.714 27.530 33.619 1.00 54.71 C ATOM 933 C ASP A 448 -6.276 26.158 34.044 1.00 47.40 C ATOM 934 O ASP A 448 -5.536 25.286 34.501 1.00 50.19 O ATOM 935 CB ASP A 448 -4.256 27.758 34.103 1.00 54.68 C ATOM 936 CG ASP A 448 -3.231 26.799 33.460 1.00 63.31 C ATOM 937 OD1 ASP A 448 -3.501 26.179 32.408 1.00 55.80 O ATOM 938 OD2 ASP A 448 -2.131 26.664 34.032 1.00 67.66 O ATOM 0 H ASP A 448 -6.903 29.105 33.420 1.00 62.52 H new ATOM 0 HA ASP A 448 -5.693 27.527 32.649 1.00 54.71 H new ATOM 0 HB2 ASP A 448 -3.998 28.672 33.908 1.00 54.68 H new ATOM 0 HB3 ASP A 448 -4.224 27.654 35.067 1.00 54.68 H new ATOM 939 N GLU A 449 -7.592 25.986 33.881 1.00 50.18 N ATOM 940 CA GLU A 449 -8.297 24.743 34.231 1.00 54.13 C ATOM 941 C GLU A 449 -9.037 24.180 33.021 1.00 58.17 C ATOM 942 O GLU A 449 -9.524 24.939 32.179 1.00 56.09 O ATOM 943 CB GLU A 449 -9.302 24.991 35.361 1.00 65.12 C ATOM 944 CG GLU A 449 -8.681 25.187 36.739 1.00 74.34 C ATOM 945 CD GLU A 449 -9.695 25.575 37.814 1.00 85.72 C ATOM 946 OE1 GLU A 449 -10.922 25.493 37.571 1.00 83.61 O ATOM 947 OE2 GLU A 449 -9.260 25.967 38.918 1.00 89.25 O ATOM 0 H GLU A 449 -8.108 26.595 33.560 1.00 50.18 H new ATOM 0 HA GLU A 449 -7.632 24.102 34.526 1.00 54.13 H new ATOM 0 HB2 GLU A 449 -9.827 25.777 35.143 1.00 65.12 H new ATOM 0 HB3 GLU A 449 -9.916 24.241 35.401 1.00 65.12 H new ATOM 0 HG2 GLU A 449 -8.236 24.367 37.005 1.00 74.34 H new ATOM 0 HG3 GLU A 449 -7.999 25.875 36.684 1.00 74.34 H new ATOM 948 N TRP A 450 -9.101 22.848 32.942 1.00 61.48 N ATOM 949 CA TRP A 450 -9.941 22.135 31.971 1.00 54.67 C ATOM 950 C TRP A 450 -11.109 21.540 32.705 1.00 59.32 C ATOM 951 O TRP A 450 -10.933 21.011 33.807 1.00 73.50 O ATOM 952 CB TRP A 450 -9.171 21.003 31.289 1.00 53.22 C ATOM 953 CG TRP A 450 -8.211 21.432 30.200 1.00 53.87 C ATOM 954 CD1 TRP A 450 -6.835 21.613 30.307 1.00 53.75 C ATOM 955 CD2 TRP A 450 -8.520 21.712 28.789 1.00 47.91 C ATOM 956 NE1 TRP A 450 -6.293 21.984 29.106 1.00 45.73 N ATOM 957 CE2 TRP A 450 -7.244 22.064 28.154 1.00 49.68 C ATOM 958 CE3 TRP A 450 -9.682 21.710 28.016 1.00 51.19 C ATOM 959 CZ2 TRP A 450 -7.160 22.396 26.805 1.00 46.20 C ATOM 960 CZ3 TRP A 450 -9.583 22.045 26.654 1.00 38.59 C ATOM 961 CH2 TRP A 450 -8.351 22.375 26.065 1.00 42.02 C ATOM 0 H TRP A 450 -8.652 22.326 33.457 1.00 61.48 H new ATOM 0 HA TRP A 450 -10.229 22.764 31.291 1.00 54.67 H new ATOM 0 HB2 TRP A 450 -8.673 20.518 31.965 1.00 53.22 H new ATOM 0 HB3 TRP A 450 -9.811 20.381 30.908 1.00 53.22 H new ATOM 0 HD1 TRP A 450 -6.348 21.497 31.091 1.00 53.75 H new ATOM 0 HE1 TRP A 450 -5.458 22.144 28.976 1.00 45.73 H new ATOM 0 HE3 TRP A 450 -10.504 21.492 28.393 1.00 51.19 H new ATOM 0 HZ2 TRP A 450 -6.348 22.622 26.411 1.00 46.20 H new ATOM 0 HZ3 TRP A 450 -10.352 22.048 26.130 1.00 38.59 H new ATOM 0 HH2 TRP A 450 -8.325 22.585 25.159 1.00 42.02 H new ATOM 962 N HIS A 451 -12.305 21.621 32.116 1.00 56.92 N ATOM 963 CA HIS A 451 -13.500 20.952 32.663 1.00 58.31 C ATOM 964 C HIS A 451 -14.248 20.248 31.578 1.00 47.58 C ATOM 965 O HIS A 451 -14.375 20.773 30.477 1.00 55.84 O ATOM 966 CB HIS A 451 -14.432 21.943 33.364 1.00 69.82 C ATOM 967 CG HIS A 451 -13.771 22.712 34.480 1.00 74.54 C ATOM 968 ND1 HIS A 451 -13.283 22.114 35.582 1.00 78.58 N ATOM 969 CD2 HIS A 451 -13.514 24.075 34.623 1.00 85.70 C ATOM 970 CE1 HIS A 451 -12.742 23.046 36.392 1.00 95.59 C ATOM 971 NE2 HIS A 451 -12.886 24.245 35.803 1.00 96.01 N ATOM 0 H HIS A 451 -12.450 22.062 31.392 1.00 56.92 H new ATOM 0 HA HIS A 451 -13.193 20.306 33.318 1.00 58.31 H new ATOM 0 HB2 HIS A 451 -14.775 22.571 32.709 1.00 69.82 H new ATOM 0 HB3 HIS A 451 -15.194 21.461 33.721 1.00 69.82 H new ATOM 0 HD2 HIS A 451 -13.735 24.744 34.016 1.00 85.70 H new ATOM 0 HE1 HIS A 451 -12.339 22.887 37.215 1.00 95.59 H new ATOM 0 HE2 HIS A 451 -12.621 24.997 36.126 1.00 96.01 H new ATOM 972 N LEU A 452 -14.749 19.053 31.881 1.00 52.13 N ATOM 973 CA LEU A 452 -15.585 18.300 30.947 1.00 52.13 C ATOM 974 C LEU A 452 -16.944 18.988 30.761 1.00 53.80 C ATOM 975 O LEU A 452 -17.519 19.503 31.717 1.00 53.99 O ATOM 976 CB LEU A 452 -15.785 16.852 31.428 1.00 54.02 C ATOM 977 CG LEU A 452 -14.633 15.880 31.132 1.00 60.80 C ATOM 978 CD1 LEU A 452 -14.630 14.694 32.090 1.00 49.11 C ATOM 979 CD2 LEU A 452 -14.697 15.404 29.682 1.00 50.75 C ATOM 0 H LEU A 452 -14.615 18.656 32.632 1.00 52.13 H new ATOM 0 HA LEU A 452 -15.128 18.277 30.092 1.00 52.13 H new ATOM 0 HB2 LEU A 452 -15.935 16.866 32.386 1.00 54.02 H new ATOM 0 HB3 LEU A 452 -16.593 16.503 31.020 1.00 54.02 H new ATOM 0 HG LEU A 452 -13.801 16.361 31.267 1.00 60.80 H new ATOM 0 HD11 LEU A 452 -13.891 14.104 31.873 1.00 49.11 H new ATOM 0 HD12 LEU A 452 -14.531 15.014 33.001 1.00 49.11 H new ATOM 0 HD13 LEU A 452 -15.466 14.209 32.007 1.00 49.11 H new ATOM 0 HD21 LEU A 452 -13.965 14.792 29.510 1.00 50.75 H new ATOM 0 HD22 LEU A 452 -15.540 14.950 29.527 1.00 50.75 H new ATOM 0 HD23 LEU A 452 -14.627 16.167 29.087 1.00 50.75 H new ATOM 980 N VAL A 453 -17.416 19.017 29.516 1.00 54.99 N ATOM 981 CA VAL A 453 -18.777 19.432 29.168 1.00 47.68 C ATOM 982 C VAL A 453 -19.515 18.182 28.661 1.00 48.56 C ATOM 983 O VAL A 453 -18.989 17.071 28.768 1.00 50.88 O ATOM 984 CB VAL A 453 -18.771 20.557 28.101 1.00 47.71 C ATOM 985 CG1 VAL A 453 -18.035 21.782 28.615 1.00 43.37 C ATOM 986 CG2 VAL A 453 -18.160 20.076 26.793 1.00 46.55 C ATOM 0 H VAL A 453 -16.944 18.791 28.834 1.00 54.99 H new ATOM 0 HA VAL A 453 -19.227 19.801 29.944 1.00 47.68 H new ATOM 0 HB VAL A 453 -19.693 20.803 27.926 1.00 47.71 H new ATOM 0 HG11 VAL A 453 -18.042 22.473 27.935 1.00 43.37 H new ATOM 0 HG12 VAL A 453 -18.474 22.112 29.415 1.00 43.37 H new ATOM 0 HG13 VAL A 453 -17.118 21.545 28.825 1.00 43.37 H new ATOM 0 HG21 VAL A 453 -18.170 20.799 26.146 1.00 46.55 H new ATOM 0 HG22 VAL A 453 -17.245 19.793 26.948 1.00 46.55 H new ATOM 0 HG23 VAL A 453 -18.675 19.329 26.450 1.00 46.55 H new ATOM 987 N ALA A 454 -20.726 18.352 28.129 1.00 50.85 N ATOM 988 CA ALA A 454 -21.493 17.231 27.575 1.00 52.77 C ATOM 989 C ALA A 454 -20.782 16.598 26.369 1.00 54.33 C ATOM 990 O ALA A 454 -20.339 17.320 25.472 1.00 49.19 O ATOM 991 CB ALA A 454 -22.887 17.684 27.171 1.00 52.15 C ATOM 0 H ALA A 454 -21.124 19.113 28.079 1.00 50.85 H new ATOM 0 HA ALA A 454 -21.564 16.559 28.271 1.00 52.77 H new ATOM 0 HB1 ALA A 454 -23.379 16.931 26.807 1.00 52.15 H new ATOM 0 HB2 ALA A 454 -23.353 18.030 27.948 1.00 52.15 H new ATOM 0 HB3 ALA A 454 -22.819 18.380 26.499 1.00 52.15 H new ATOM 992 N PRO A 455 -20.678 15.252 26.340 1.00 60.49 N ATOM 993 CA PRO A 455 -20.025 14.574 25.217 1.00 57.41 C ATOM 994 C PRO A 455 -20.869 14.583 23.944 1.00 55.17 C ATOM 995 O PRO A 455 -22.092 14.702 24.012 1.00 58.22 O ATOM 996 CB PRO A 455 -19.854 13.144 25.734 1.00 68.00 C ATOM 997 CG PRO A 455 -20.998 12.953 26.661 1.00 64.83 C ATOM 998 CD PRO A 455 -21.185 14.282 27.332 1.00 63.27 C ATOM 0 HA PRO A 455 -19.196 15.010 24.964 1.00 57.41 H new ATOM 0 HB2 PRO A 455 -19.874 12.500 25.009 1.00 68.00 H new ATOM 0 HB3 PRO A 455 -19.005 13.031 26.190 1.00 68.00 H new ATOM 0 HG2 PRO A 455 -21.798 12.687 26.181 1.00 64.83 H new ATOM 0 HG3 PRO A 455 -20.811 12.256 27.309 1.00 64.83 H new ATOM 0 HD2 PRO A 455 -22.117 14.445 27.545 1.00 63.27 H new ATOM 0 HD3 PRO A 455 -20.690 14.333 28.165 1.00 63.27 H new ATOM 999 N MET A 456 -20.205 14.444 22.798 1.00 61.21 N ATOM 1000 CA MET A 456 -20.870 14.384 21.493 1.00 47.13 C ATOM 1001 C MET A 456 -21.717 13.127 21.373 1.00 47.88 C ATOM 1002 O MET A 456 -21.509 12.161 22.102 1.00 41.68 O ATOM 1003 CB MET A 456 -19.844 14.373 20.362 1.00 51.49 C ATOM 1004 CG MET A 456 -19.029 15.644 20.221 1.00 57.64 C ATOM 1005 SD MET A 456 -17.921 15.602 18.794 1.00 55.57 S ATOM 1006 CE MET A 456 -16.737 14.370 19.337 1.00 46.37 C ATOM 0 H MET A 456 -19.348 14.381 22.754 1.00 61.21 H new ATOM 0 HA MET A 456 -21.434 15.170 21.423 1.00 47.13 H new ATOM 0 HB2 MET A 456 -19.237 13.630 20.502 1.00 51.49 H new ATOM 0 HB3 MET A 456 -20.307 14.208 19.526 1.00 51.49 H new ATOM 0 HG2 MET A 456 -19.629 16.402 20.139 1.00 57.64 H new ATOM 0 HG3 MET A 456 -18.508 15.781 21.027 1.00 57.64 H new ATOM 0 HE1 MET A 456 -15.935 14.430 18.794 1.00 46.37 H new ATOM 0 HE2 MET A 456 -16.510 14.527 20.267 1.00 46.37 H new ATOM 0 HE3 MET A 456 -17.124 13.486 19.244 1.00 46.37 H new ATOM 1007 N LEU A 457 -22.660 13.143 20.435 1.00 52.44 N ATOM 1008 CA LEU A 457 -23.518 11.987 20.195 1.00 55.06 C ATOM 1009 C LEU A 457 -22.693 10.871 19.542 1.00 62.64 C ATOM 1010 O LEU A 457 -22.705 9.734 20.020 1.00 70.92 O ATOM 1011 CB LEU A 457 -24.741 12.371 19.345 1.00 52.54 C ATOM 1012 CG LEU A 457 -25.659 13.485 19.897 1.00 59.11 C ATOM 1013 CD1 LEU A 457 -26.933 13.575 19.073 1.00 60.40 C ATOM 1014 CD2 LEU A 457 -26.028 13.320 21.368 1.00 46.81 C ATOM 0 H LEU A 457 -22.819 13.817 19.925 1.00 52.44 H new ATOM 0 HA LEU A 457 -23.862 11.660 21.041 1.00 55.06 H new ATOM 0 HB2 LEU A 457 -24.425 12.647 18.470 1.00 52.54 H new ATOM 0 HB3 LEU A 457 -25.279 11.575 19.214 1.00 52.54 H new ATOM 0 HG LEU A 457 -25.142 14.303 19.828 1.00 59.11 H new ATOM 0 HD11 LEU A 457 -27.500 14.277 19.429 1.00 60.40 H new ATOM 0 HD12 LEU A 457 -26.709 13.777 18.151 1.00 60.40 H new ATOM 0 HD13 LEU A 457 -27.404 12.728 19.112 1.00 60.40 H new ATOM 0 HD21 LEU A 457 -26.602 14.052 21.642 1.00 46.81 H new ATOM 0 HD22 LEU A 457 -26.495 12.479 21.492 1.00 46.81 H new ATOM 0 HD23 LEU A 457 -25.221 13.324 21.907 1.00 46.81 H new ATOM 1015 N THR A 458 -21.949 11.216 18.487 1.00 56.77 N ATOM 1016 CA THR A 458 -21.033 10.286 17.813 1.00 50.79 C ATOM 1017 C THR A 458 -19.576 10.466 18.287 1.00 54.81 C ATOM 1018 O THR A 458 -19.123 11.591 18.530 1.00 60.08 O ATOM 1019 CB THR A 458 -21.073 10.464 16.277 1.00 51.57 C ATOM 1020 OG1 THR A 458 -22.430 10.598 15.829 1.00 61.68 O ATOM 1021 CG2 THR A 458 -20.437 9.264 15.580 1.00 52.34 C ATOM 0 H THR A 458 -21.961 12.002 18.139 1.00 56.77 H new ATOM 0 HA THR A 458 -21.337 9.395 18.047 1.00 50.79 H new ATOM 0 HB THR A 458 -20.574 11.265 16.054 1.00 51.57 H new ATOM 0 HG1 THR A 458 -22.473 10.423 15.009 1.00 61.68 H new ATOM 0 HG21 THR A 458 -20.471 9.392 14.619 1.00 52.34 H new ATOM 0 HG22 THR A 458 -19.513 9.178 15.862 1.00 52.34 H new ATOM 0 HG23 THR A 458 -20.923 8.458 15.815 1.00 52.34 H new ATOM 1022 N ARG A 459 -18.854 9.352 18.416 1.00 52.13 N ATOM 1023 CA ARG A 459 -17.396 9.370 18.608 1.00 54.54 C ATOM 1024 C ARG A 459 -16.746 9.841 17.308 1.00 56.63 C ATOM 1025 O ARG A 459 -17.192 9.457 16.225 1.00 54.52 O ATOM 1026 CB ARG A 459 -16.881 7.977 18.967 1.00 54.37 C ATOM 1027 CG ARG A 459 -17.406 7.439 20.289 1.00 56.48 C ATOM 1028 CD ARG A 459 -17.109 5.955 20.438 1.00 64.34 C ATOM 1029 NE ARG A 459 -17.673 5.398 21.671 1.00 63.67 N ATOM 1030 CZ ARG A 459 -17.174 5.564 22.899 1.00 66.39 C ATOM 1031 NH1 ARG A 459 -16.074 6.290 23.112 1.00 66.70 N ATOM 1032 NH2 ARG A 459 -17.790 5.000 23.938 1.00 75.49 N ATOM 0 H ARG A 459 -19.194 8.562 18.395 1.00 52.13 H new ATOM 0 HA ARG A 459 -17.173 9.971 19.336 1.00 54.54 H new ATOM 0 HB2 ARG A 459 -17.125 7.361 18.259 1.00 54.37 H new ATOM 0 HB3 ARG A 459 -15.912 8.000 19.001 1.00 54.37 H new ATOM 0 HG2 ARG A 459 -17.001 7.927 21.023 1.00 56.48 H new ATOM 0 HG3 ARG A 459 -18.363 7.587 20.344 1.00 56.48 H new ATOM 0 HD2 ARG A 459 -17.469 5.477 19.675 1.00 64.34 H new ATOM 0 HD3 ARG A 459 -16.149 5.817 20.432 1.00 64.34 H new ATOM 0 HE ARG A 459 -18.387 4.924 21.598 1.00 63.67 H new ATOM 0 HH11 ARG A 459 -15.670 6.663 22.451 1.00 66.70 H new ATOM 0 HH12 ARG A 459 -15.769 6.384 23.911 1.00 66.70 H new ATOM 0 HH21 ARG A 459 -18.502 4.534 23.815 1.00 75.49 H new ATOM 0 HH22 ARG A 459 -17.475 5.102 24.732 1.00 75.49 H new ATOM 1033 N ARG A 460 -15.727 10.696 17.407 1.00 57.85 N ATOM 1034 CA ARG A 460 -15.107 11.319 16.221 1.00 54.36 C ATOM 1035 C ARG A 460 -13.604 11.545 16.391 1.00 56.03 C ATOM 1036 O ARG A 460 -13.165 12.078 17.411 1.00 53.23 O ATOM 1037 CB ARG A 460 -15.781 12.662 15.898 1.00 54.73 C ATOM 1038 CG ARG A 460 -17.248 12.566 15.490 1.00 57.46 C ATOM 1039 CD ARG A 460 -17.911 13.927 15.358 1.00 53.61 C ATOM 1040 NE ARG A 460 -19.363 13.798 15.187 1.00 51.18 N ATOM 1041 CZ ARG A 460 -20.013 13.705 14.021 1.00 55.38 C ATOM 1042 NH1 ARG A 460 -19.364 13.731 12.850 1.00 50.77 N ATOM 1043 NH2 ARG A 460 -21.344 13.589 14.022 1.00 52.13 N ATOM 0 H ARG A 460 -15.374 10.933 18.155 1.00 57.85 H new ATOM 0 HA ARG A 460 -15.236 10.696 15.489 1.00 54.36 H new ATOM 0 HB2 ARG A 460 -15.713 13.238 16.675 1.00 54.73 H new ATOM 0 HB3 ARG A 460 -15.288 13.092 15.182 1.00 54.73 H new ATOM 0 HG2 ARG A 460 -17.314 12.095 14.645 1.00 57.46 H new ATOM 0 HG3 ARG A 460 -17.729 12.039 16.147 1.00 57.46 H new ATOM 0 HD2 ARG A 460 -17.722 14.459 16.147 1.00 53.61 H new ATOM 0 HD3 ARG A 460 -17.535 14.400 14.600 1.00 53.61 H new ATOM 0 HE ARG A 460 -19.840 13.781 15.902 1.00 51.18 H new ATOM 0 HH11 ARG A 460 -18.508 13.809 12.835 1.00 50.77 H new ATOM 0 HH12 ARG A 460 -19.804 13.670 12.113 1.00 50.77 H new ATOM 0 HH21 ARG A 460 -21.774 13.575 14.767 1.00 52.13 H new ATOM 0 HH22 ARG A 460 -21.771 13.529 13.278 1.00 52.13 H new ATOM 1044 N ILE A 461 -12.825 11.087 15.406 1.00 55.00 N ATOM 1045 CA ILE A 461 -11.448 11.543 15.203 1.00 45.41 C ATOM 1046 C ILE A 461 -11.299 11.996 13.746 1.00 44.73 C ATOM 1047 O ILE A 461 -12.027 11.537 12.870 1.00 60.11 O ATOM 1048 CB ILE A 461 -10.394 10.488 15.627 1.00 54.55 C ATOM 1049 CG1 ILE A 461 -10.174 9.390 14.574 1.00 59.85 C ATOM 1050 CG2 ILE A 461 -10.789 9.852 16.953 1.00 52.35 C ATOM 1051 CD1 ILE A 461 -8.992 8.496 14.893 1.00 57.87 C ATOM 0 H ILE A 461 -13.084 10.499 14.834 1.00 55.00 H new ATOM 0 HA ILE A 461 -11.271 12.298 15.786 1.00 45.41 H new ATOM 0 HB ILE A 461 -9.554 10.964 15.720 1.00 54.55 H new ATOM 0 HG12 ILE A 461 -10.975 8.847 14.507 1.00 59.85 H new ATOM 0 HG13 ILE A 461 -10.037 9.803 13.707 1.00 59.85 H new ATOM 0 HG21 ILE A 461 -10.123 9.194 17.208 1.00 52.35 H new ATOM 0 HG22 ILE A 461 -10.844 10.537 17.637 1.00 52.35 H new ATOM 0 HG23 ILE A 461 -11.652 9.418 16.860 1.00 52.35 H new ATOM 0 HD11 ILE A 461 -8.898 7.824 14.200 1.00 57.87 H new ATOM 0 HD12 ILE A 461 -8.184 9.031 14.936 1.00 57.87 H new ATOM 0 HD13 ILE A 461 -9.137 8.061 15.748 1.00 57.87 H new ATOM 1052 N GLY A 462 -10.369 12.912 13.503 1.00 43.12 N ATOM 1053 CA GLY A 462 -10.214 13.545 12.193 1.00 45.60 C ATOM 1054 C GLY A 462 -11.349 14.524 11.968 1.00 46.87 C ATOM 1055 O GLY A 462 -11.783 14.746 10.835 1.00 44.72 O ATOM 0 H GLY A 462 -9.807 13.187 14.093 1.00 43.12 H new ATOM 0 HA2 GLY A 462 -9.362 14.006 12.144 1.00 45.60 H new ATOM 0 HA3 GLY A 462 -10.212 12.871 11.495 1.00 45.60 H new ATOM 1056 N VAL A 463 -11.794 15.131 13.067 1.00 45.75 N ATOM 1057 CA VAL A 463 -13.032 15.902 13.115 1.00 39.66 C ATOM 1058 C VAL A 463 -12.788 17.379 12.827 1.00 44.79 C ATOM 1059 O VAL A 463 -11.941 18.011 13.464 1.00 51.31 O ATOM 1060 CB VAL A 463 -13.721 15.772 14.491 1.00 33.97 C ATOM 1061 CG1 VAL A 463 -12.775 16.137 15.629 1.00 35.09 C ATOM 1062 CG2 VAL A 463 -14.991 16.612 14.541 1.00 32.33 C ATOM 0 H VAL A 463 -11.376 15.105 13.818 1.00 45.75 H new ATOM 0 HA VAL A 463 -13.610 15.536 12.427 1.00 39.66 H new ATOM 0 HB VAL A 463 -13.969 14.842 14.610 1.00 33.97 H new ATOM 0 HG11 VAL A 463 -13.238 16.045 16.477 1.00 35.09 H new ATOM 0 HG12 VAL A 463 -12.007 15.545 15.614 1.00 35.09 H new ATOM 0 HG13 VAL A 463 -12.478 17.054 15.521 1.00 35.09 H new ATOM 0 HG21 VAL A 463 -15.408 16.517 15.412 1.00 32.33 H new ATOM 0 HG22 VAL A 463 -14.769 17.544 14.389 1.00 32.33 H new ATOM 0 HG23 VAL A 463 -15.606 16.311 13.854 1.00 32.33 H new ATOM 1063 N GLY A 464 -13.532 17.917 11.864 1.00 35.52 N ATOM 1064 CA GLY A 464 -13.601 19.353 11.665 1.00 42.63 C ATOM 1065 C GLY A 464 -14.357 20.038 12.794 1.00 50.95 C ATOM 1066 O GLY A 464 -15.303 19.467 13.354 1.00 39.24 O ATOM 0 H GLY A 464 -14.007 17.459 11.312 1.00 35.52 H new ATOM 0 HA2 GLY A 464 -12.703 19.716 11.608 1.00 42.63 H new ATOM 0 HA3 GLY A 464 -14.038 19.543 10.820 1.00 42.63 H new ATOM 1067 N VAL A 465 -13.924 21.251 13.145 1.00 53.94 N ATOM 1068 CA VAL A 465 -14.630 22.085 14.124 1.00 48.34 C ATOM 1069 C VAL A 465 -14.732 23.518 13.613 1.00 49.49 C ATOM 1070 O VAL A 465 -13.826 24.011 12.946 1.00 56.59 O ATOM 1071 CB VAL A 465 -13.976 22.031 15.516 1.00 42.90 C ATOM 1072 CG1 VAL A 465 -14.701 22.939 16.497 1.00 44.57 C ATOM 1073 CG2 VAL A 465 -13.994 20.605 16.041 1.00 42.55 C ATOM 0 H VAL A 465 -13.214 21.614 12.823 1.00 53.94 H new ATOM 0 HA VAL A 465 -15.525 21.726 14.228 1.00 48.34 H new ATOM 0 HB VAL A 465 -13.060 22.338 15.430 1.00 42.90 H new ATOM 0 HG11 VAL A 465 -14.271 22.887 17.365 1.00 44.57 H new ATOM 0 HG12 VAL A 465 -14.670 23.854 16.175 1.00 44.57 H new ATOM 0 HG13 VAL A 465 -15.625 22.656 16.578 1.00 44.57 H new ATOM 0 HG21 VAL A 465 -13.581 20.578 16.918 1.00 42.55 H new ATOM 0 HG22 VAL A 465 -14.911 20.296 16.106 1.00 42.55 H new ATOM 0 HG23 VAL A 465 -13.502 20.030 15.434 1.00 42.55 H new ATOM 1074 N ALA A 466 -15.858 24.161 13.916 1.00 53.19 N ATOM 1075 CA ALA A 466 -16.167 25.492 13.410 1.00 52.48 C ATOM 1076 C ALA A 466 -17.193 26.175 14.314 1.00 48.24 C ATOM 1077 O ALA A 466 -18.281 25.642 14.535 1.00 51.22 O ATOM 1078 CB ALA A 466 -16.701 25.389 11.992 1.00 59.85 C ATOM 0 H ALA A 466 -16.468 23.832 14.426 1.00 53.19 H new ATOM 0 HA ALA A 466 -15.357 26.026 13.405 1.00 52.48 H new ATOM 0 HB1 ALA A 466 -16.906 26.276 11.658 1.00 59.85 H new ATOM 0 HB2 ALA A 466 -16.032 24.976 11.423 1.00 59.85 H new ATOM 0 HB3 ALA A 466 -17.506 24.849 11.988 1.00 59.85 H new ATOM 1079 N VAL A 467 -16.834 27.341 14.841 1.00 41.18 N ATOM 1080 CA VAL A 467 -17.730 28.129 15.670 1.00 44.77 C ATOM 1081 C VAL A 467 -18.529 29.060 14.765 1.00 47.79 C ATOM 1082 O VAL A 467 -17.946 29.796 13.967 1.00 49.70 O ATOM 1083 CB VAL A 467 -16.968 28.928 16.750 1.00 39.17 C ATOM 1084 CG1 VAL A 467 -17.868 29.977 17.391 1.00 40.46 C ATOM 1085 CG2 VAL A 467 -16.429 27.975 17.808 1.00 30.82 C ATOM 0 H VAL A 467 -16.060 27.697 14.726 1.00 41.18 H new ATOM 0 HA VAL A 467 -18.328 27.531 16.145 1.00 44.77 H new ATOM 0 HB VAL A 467 -16.227 29.390 16.327 1.00 39.17 H new ATOM 0 HG11 VAL A 467 -17.368 30.465 18.064 1.00 40.46 H new ATOM 0 HG12 VAL A 467 -18.181 30.594 16.711 1.00 40.46 H new ATOM 0 HG13 VAL A 467 -18.629 29.541 17.806 1.00 40.46 H new ATOM 0 HG21 VAL A 467 -15.951 28.479 18.485 1.00 30.82 H new ATOM 0 HG22 VAL A 467 -17.166 27.499 18.221 1.00 30.82 H new ATOM 0 HG23 VAL A 467 -15.826 27.339 17.393 1.00 30.82 H new ATOM 1086 N LEU A 468 -19.856 29.012 14.900 1.00 46.21 N ATOM 1087 CA LEU A 468 -20.770 29.837 14.108 1.00 48.83 C ATOM 1088 C LEU A 468 -22.021 30.173 14.933 1.00 49.76 C ATOM 1089 O LEU A 468 -22.619 29.281 15.543 1.00 56.32 O ATOM 1090 CB LEU A 468 -21.149 29.090 12.827 1.00 52.27 C ATOM 1091 CG LEU A 468 -22.083 29.761 11.822 1.00 51.55 C ATOM 1092 CD1 LEU A 468 -21.539 31.108 11.373 1.00 57.54 C ATOM 1093 CD2 LEU A 468 -22.289 28.840 10.633 1.00 51.46 C ATOM 0 H LEU A 468 -20.254 28.494 15.460 1.00 46.21 H new ATOM 0 HA LEU A 468 -20.333 30.669 13.867 1.00 48.83 H new ATOM 0 HB2 LEU A 468 -20.326 28.873 12.361 1.00 52.27 H new ATOM 0 HB3 LEU A 468 -21.557 28.250 13.089 1.00 52.27 H new ATOM 0 HG LEU A 468 -22.937 29.925 12.253 1.00 51.55 H new ATOM 0 HD11 LEU A 468 -22.152 31.509 10.737 1.00 57.54 H new ATOM 0 HD12 LEU A 468 -21.444 31.692 12.142 1.00 57.54 H new ATOM 0 HD13 LEU A 468 -20.673 30.984 10.953 1.00 57.54 H new ATOM 0 HD21 LEU A 468 -22.882 29.265 9.994 1.00 51.46 H new ATOM 0 HD22 LEU A 468 -21.434 28.660 10.211 1.00 51.46 H new ATOM 0 HD23 LEU A 468 -22.682 28.006 10.934 1.00 51.46 H new ATOM 1094 N ASN A 469 -22.394 31.457 14.955 1.00 50.29 N ATOM 1095 CA ASN A 469 -23.508 31.977 15.772 1.00 50.41 C ATOM 1096 C ASN A 469 -23.424 31.574 17.250 1.00 52.24 C ATOM 1097 O ASN A 469 -24.436 31.271 17.889 1.00 48.97 O ATOM 1098 CB ASN A 469 -24.858 31.567 15.165 1.00 44.86 C ATOM 1099 CG ASN A 469 -25.111 32.215 13.822 1.00 46.55 C ATOM 1100 OD1 ASN A 469 -24.949 33.427 13.668 1.00 47.42 O ATOM 1101 ND2 ASN A 469 -25.529 31.414 12.844 1.00 45.19 N ATOM 0 H ASN A 469 -22.002 32.064 14.488 1.00 50.29 H new ATOM 0 HA ASN A 469 -23.432 32.944 15.756 1.00 50.41 H new ATOM 0 HB2 ASN A 469 -24.885 30.602 15.065 1.00 44.86 H new ATOM 0 HB3 ASN A 469 -25.571 31.809 15.777 1.00 44.86 H new ATOM 0 HD21 ASN A 469 -25.698 31.738 12.065 1.00 45.19 H new ATOM 0 HD22 ASN A 469 -25.630 30.573 12.991 1.00 45.19 H new ATOM 1102 N ARG A 470 -22.194 31.562 17.766 1.00 50.73 N ATOM 1103 CA ARG A 470 -21.881 31.135 19.137 1.00 47.43 C ATOM 1104 C ARG A 470 -22.252 29.675 19.444 1.00 43.50 C ATOM 1105 O ARG A 470 -22.386 29.295 20.607 1.00 46.58 O ATOM 1106 CB ARG A 470 -22.506 32.091 20.157 1.00 48.79 C ATOM 1107 CG ARG A 470 -22.316 33.575 19.840 1.00 57.50 C ATOM 1108 CD ARG A 470 -23.196 34.452 20.725 1.00 65.76 C ATOM 1109 NE ARG A 470 -23.026 34.119 22.138 1.00 58.24 N ATOM 1110 CZ ARG A 470 -21.967 34.439 22.883 1.00 54.99 C ATOM 1111 NH1 ARG A 470 -20.946 35.143 22.386 1.00 46.39 N ATOM 1112 NH2 ARG A 470 -21.935 34.057 24.157 1.00 60.46 N ATOM 0 H ARG A 470 -21.501 31.807 17.320 1.00 50.73 H new ATOM 0 HA ARG A 470 -20.915 31.174 19.212 1.00 47.43 H new ATOM 0 HB2 ARG A 470 -23.456 31.905 20.217 1.00 48.79 H new ATOM 0 HB3 ARG A 470 -22.125 31.908 21.030 1.00 48.79 H new ATOM 0 HG2 ARG A 470 -21.385 33.817 19.965 1.00 57.50 H new ATOM 0 HG3 ARG A 470 -22.528 33.738 18.908 1.00 57.50 H new ATOM 0 HD2 ARG A 470 -22.975 35.385 20.581 1.00 65.76 H new ATOM 0 HD3 ARG A 470 -24.126 34.339 20.473 1.00 65.76 H new ATOM 0 HE ARG A 470 -23.660 33.681 22.520 1.00 58.24 H new ATOM 0 HH11 ARG A 470 -20.961 35.402 21.566 1.00 46.39 H new ATOM 0 HH12 ARG A 470 -20.274 35.337 22.886 1.00 46.39 H new ATOM 0 HH21 ARG A 470 -22.591 33.611 24.489 1.00 60.46 H new ATOM 0 HH22 ARG A 470 -21.258 34.256 24.649 1.00 60.46 H new ATOM 1113 N LEU A 471 -22.393 28.863 18.395 1.00 44.36 N ATOM 1114 CA LEU A 471 -22.549 27.418 18.518 1.00 51.37 C ATOM 1115 C LEU A 471 -21.326 26.733 17.907 1.00 48.08 C ATOM 1116 O LEU A 471 -20.755 27.224 16.926 1.00 36.00 O ATOM 1117 CB LEU A 471 -23.811 26.958 17.792 1.00 50.46 C ATOM 1118 CG LEU A 471 -25.135 27.561 18.267 1.00 46.46 C ATOM 1119 CD1 LEU A 471 -26.262 27.143 17.334 1.00 37.75 C ATOM 1120 CD2 LEU A 471 -25.428 27.155 19.706 1.00 44.18 C ATOM 0 H LEU A 471 -22.400 29.143 17.582 1.00 44.36 H new ATOM 0 HA LEU A 471 -22.627 27.182 19.456 1.00 51.37 H new ATOM 0 HB2 LEU A 471 -23.708 27.159 16.849 1.00 50.46 H new ATOM 0 HB3 LEU A 471 -23.872 25.993 17.872 1.00 50.46 H new ATOM 0 HG LEU A 471 -25.065 28.528 18.245 1.00 46.46 H new ATOM 0 HD11 LEU A 471 -27.097 27.529 17.642 1.00 37.75 H new ATOM 0 HD12 LEU A 471 -26.072 27.457 16.436 1.00 37.75 H new ATOM 0 HD13 LEU A 471 -26.336 26.176 17.329 1.00 37.75 H new ATOM 0 HD21 LEU A 471 -26.270 27.546 19.988 1.00 44.18 H new ATOM 0 HD22 LEU A 471 -25.486 26.188 19.764 1.00 44.18 H new ATOM 0 HD23 LEU A 471 -24.715 27.471 20.283 1.00 44.18 H new ATOM 1121 N LEU A 472 -20.943 25.601 18.494 1.00 49.29 N ATOM 1122 CA LEU A 472 -19.778 24.828 18.075 1.00 47.91 C ATOM 1123 C LEU A 472 -20.269 23.628 17.281 1.00 52.54 C ATOM 1124 O LEU A 472 -21.042 22.824 17.805 1.00 59.28 O ATOM 1125 CB LEU A 472 -18.996 24.361 19.305 1.00 49.70 C ATOM 1126 CG LEU A 472 -17.666 23.640 19.084 1.00 49.86 C ATOM 1127 CD1 LEU A 472 -16.586 24.642 18.730 1.00 60.23 C ATOM 1128 CD2 LEU A 472 -17.277 22.858 20.323 1.00 52.87 C ATOM 0 H LEU A 472 -21.362 25.255 19.160 1.00 49.29 H new ATOM 0 HA LEU A 472 -19.190 25.372 17.528 1.00 47.91 H new ATOM 0 HB2 LEU A 472 -18.823 25.138 19.859 1.00 49.70 H new ATOM 0 HB3 LEU A 472 -19.572 23.771 19.816 1.00 49.70 H new ATOM 0 HG LEU A 472 -17.767 23.016 18.348 1.00 49.86 H new ATOM 0 HD11 LEU A 472 -15.746 24.177 18.591 1.00 60.23 H new ATOM 0 HD12 LEU A 472 -16.833 25.111 17.918 1.00 60.23 H new ATOM 0 HD13 LEU A 472 -16.486 25.280 19.454 1.00 60.23 H new ATOM 0 HD21 LEU A 472 -16.433 22.406 20.169 1.00 52.87 H new ATOM 0 HD22 LEU A 472 -17.186 23.465 21.074 1.00 52.87 H new ATOM 0 HD23 LEU A 472 -17.963 22.201 20.520 1.00 52.87 H new ATOM 1129 N TYR A 473 -19.828 23.519 16.025 1.00 54.48 N ATOM 1130 CA TYR A 473 -20.181 22.396 15.146 1.00 57.66 C ATOM 1131 C TYR A 473 -19.030 21.401 15.088 1.00 61.98 C ATOM 1132 O TYR A 473 -17.890 21.804 14.876 1.00 67.73 O ATOM 1133 CB TYR A 473 -20.458 22.882 13.723 1.00 50.73 C ATOM 1134 CG TYR A 473 -21.737 23.663 13.547 1.00 50.14 C ATOM 1135 CD1 TYR A 473 -21.815 25.008 13.922 1.00 61.80 C ATOM 1136 CD2 TYR A 473 -22.865 23.075 12.974 1.00 44.16 C ATOM 1137 CE1 TYR A 473 -22.987 25.740 13.747 1.00 55.25 C ATOM 1138 CE2 TYR A 473 -24.042 23.800 12.801 1.00 53.99 C ATOM 1139 CZ TYR A 473 -24.096 25.130 13.188 1.00 48.28 C ATOM 1140 OH TYR A 473 -25.251 25.851 13.011 1.00 41.99 O ATOM 0 H TYR A 473 -19.311 24.099 15.655 1.00 54.48 H new ATOM 0 HA TYR A 473 -20.977 21.977 15.508 1.00 57.66 H new ATOM 0 HB2 TYR A 473 -19.716 23.436 13.436 1.00 50.73 H new ATOM 0 HB3 TYR A 473 -20.482 22.112 13.133 1.00 50.73 H new ATOM 0 HD1 TYR A 473 -21.070 25.421 14.295 1.00 61.80 H new ATOM 0 HD2 TYR A 473 -22.831 22.186 12.704 1.00 44.16 H new ATOM 0 HE1 TYR A 473 -23.024 26.633 14.004 1.00 55.25 H new ATOM 0 HE2 TYR A 473 -24.790 23.393 12.427 1.00 53.99 H new ATOM 0 HH TYR A 473 -25.858 25.344 12.728 1.00 41.99 H new ATOM 1141 N ALA A 474 -19.337 20.115 15.273 1.00 62.83 N ATOM 1142 CA ALA A 474 -18.390 19.019 15.047 1.00 53.23 C ATOM 1143 C ALA A 474 -18.804 18.307 13.760 1.00 52.77 C ATOM 1144 O ALA A 474 -19.881 17.718 13.708 1.00 61.20 O ATOM 1145 CB ALA A 474 -18.395 18.055 16.224 1.00 48.75 C ATOM 0 H ALA A 474 -20.112 19.851 15.537 1.00 62.83 H new ATOM 0 HA ALA A 474 -17.487 19.364 14.963 1.00 53.23 H new ATOM 0 HB1 ALA A 474 -17.764 17.338 16.058 1.00 48.75 H new ATOM 0 HB2 ALA A 474 -18.140 18.528 17.031 1.00 48.75 H new ATOM 0 HB3 ALA A 474 -19.284 17.684 16.335 1.00 48.75 H new ATOM 1146 N VAL A 475 -17.951 18.369 12.733 1.00 50.58 N ATOM 1147 CA VAL A 475 -18.281 17.905 11.379 1.00 46.16 C ATOM 1148 C VAL A 475 -17.385 16.750 10.928 1.00 50.39 C ATOM 1149 O VAL A 475 -16.164 16.826 11.055 1.00 52.60 O ATOM 1150 CB VAL A 475 -18.130 19.054 10.371 1.00 51.20 C ATOM 1151 CG1 VAL A 475 -18.397 18.571 8.953 1.00 52.03 C ATOM 1152 CG2 VAL A 475 -19.064 20.197 10.737 1.00 57.39 C ATOM 0 H VAL A 475 -17.154 18.686 12.803 1.00 50.58 H new ATOM 0 HA VAL A 475 -19.199 17.593 11.409 1.00 46.16 H new ATOM 0 HB VAL A 475 -17.216 19.377 10.407 1.00 51.20 H new ATOM 0 HG11 VAL A 475 -18.296 19.311 8.334 1.00 52.03 H new ATOM 0 HG12 VAL A 475 -17.765 17.871 8.725 1.00 52.03 H new ATOM 0 HG13 VAL A 475 -19.300 18.222 8.895 1.00 52.03 H new ATOM 0 HG21 VAL A 475 -18.961 20.917 10.095 1.00 57.39 H new ATOM 0 HG22 VAL A 475 -19.981 19.882 10.725 1.00 57.39 H new ATOM 0 HG23 VAL A 475 -18.846 20.522 11.625 1.00 57.39 H new ATOM 1153 N GLY A 476 -18.003 15.690 10.401 1.00 50.97 N ATOM 1154 CA GLY A 476 -17.285 14.547 9.823 1.00 48.73 C ATOM 1155 C GLY A 476 -16.470 13.723 10.806 1.00 43.45 C ATOM 1156 O GLY A 476 -16.682 13.803 12.018 1.00 37.23 O ATOM 0 H GLY A 476 -18.859 15.613 10.368 1.00 50.97 H new ATOM 0 HA2 GLY A 476 -17.930 13.964 9.392 1.00 48.73 H new ATOM 0 HA3 GLY A 476 -16.691 14.875 9.129 1.00 48.73 H new ATOM 1157 N GLY A 477 -15.548 12.921 10.266 1.00 40.04 N ATOM 1158 CA GLY A 477 -14.553 12.187 11.059 1.00 38.21 C ATOM 1159 C GLY A 477 -14.657 10.680 10.937 1.00 42.05 C ATOM 1160 O GLY A 477 -15.269 10.173 10.000 1.00 47.93 O ATOM 0 H GLY A 477 -15.481 12.786 9.419 1.00 40.04 H new ATOM 0 HA2 GLY A 477 -13.665 12.464 10.783 1.00 38.21 H new ATOM 0 HA3 GLY A 477 -14.650 12.434 11.992 1.00 38.21 H new ATOM 1161 N PHE A 478 -14.043 9.979 11.893 1.00 45.89 N ATOM 1162 CA PHE A 478 -13.992 8.512 11.950 1.00 53.93 C ATOM 1163 C PHE A 478 -14.485 8.076 13.333 1.00 59.34 C ATOM 1164 O PHE A 478 -13.980 8.576 14.343 1.00 50.47 O ATOM 1165 CB PHE A 478 -12.543 8.058 11.714 1.00 61.56 C ATOM 1166 CG PHE A 478 -12.363 6.566 11.580 1.00 58.01 C ATOM 1167 CD1 PHE A 478 -12.903 5.877 10.496 1.00 62.98 C ATOM 1168 CD2 PHE A 478 -11.606 5.854 12.510 1.00 65.97 C ATOM 1169 CE1 PHE A 478 -12.722 4.505 10.361 1.00 62.02 C ATOM 1170 CE2 PHE A 478 -11.425 4.482 12.381 1.00 67.11 C ATOM 1171 CZ PHE A 478 -11.983 3.807 11.303 1.00 64.10 C ATOM 0 H PHE A 478 -13.631 10.355 12.548 1.00 45.89 H new ATOM 0 HA PHE A 478 -14.554 8.111 11.269 1.00 53.93 H new ATOM 0 HB2 PHE A 478 -12.210 8.485 10.909 1.00 61.56 H new ATOM 0 HB3 PHE A 478 -11.995 8.373 12.450 1.00 61.56 H new ATOM 0 HD1 PHE A 478 -13.391 6.341 9.854 1.00 62.98 H new ATOM 0 HD2 PHE A 478 -11.217 6.303 13.226 1.00 65.97 H new ATOM 0 HE1 PHE A 478 -13.097 4.056 9.638 1.00 62.02 H new ATOM 0 HE2 PHE A 478 -10.931 4.016 13.016 1.00 67.11 H new ATOM 0 HZ PHE A 478 -11.861 2.889 11.214 1.00 64.10 H new ATOM 1172 N ASP A 479 -15.464 7.164 13.378 1.00 64.38 N ATOM 1173 CA ASP A 479 -16.092 6.729 14.652 1.00 62.75 C ATOM 1174 C ASP A 479 -15.473 5.484 15.307 1.00 66.50 C ATOM 1175 O ASP A 479 -15.968 5.018 16.337 1.00 69.49 O ATOM 1176 CB ASP A 479 -17.628 6.569 14.498 1.00 69.43 C ATOM 1177 CG ASP A 479 -18.046 5.452 13.524 1.00 70.62 C ATOM 1178 OD1 ASP A 479 -17.182 4.687 13.046 1.00 66.85 O ATOM 1179 OD2 ASP A 479 -19.264 5.344 13.232 1.00 51.72 O ATOM 0 H ASP A 479 -15.786 6.778 12.680 1.00 64.38 H new ATOM 0 HA ASP A 479 -15.901 7.452 15.270 1.00 62.75 H new ATOM 0 HB2 ASP A 479 -18.014 6.387 15.369 1.00 69.43 H new ATOM 0 HB3 ASP A 479 -18.003 7.410 14.192 1.00 69.43 H new ATOM 1180 N GLY A 480 -14.394 4.965 14.718 1.00 69.56 N ATOM 1181 CA GLY A 480 -13.764 3.722 15.167 1.00 73.52 C ATOM 1182 C GLY A 480 -14.042 2.571 14.222 1.00 74.75 C ATOM 1183 O GLY A 480 -13.191 1.697 14.054 1.00 69.93 O ATOM 0 H GLY A 480 -14.005 5.327 14.042 1.00 69.56 H new ATOM 0 HA2 GLY A 480 -12.806 3.854 15.241 1.00 73.52 H new ATOM 0 HA3 GLY A 480 -14.089 3.498 16.053 1.00 73.52 H new ATOM 1184 N THR A 481 -15.238 2.570 13.623 1.00 81.19 N ATOM 1185 CA THR A 481 -15.640 1.597 12.604 1.00 79.23 C ATOM 1186 C THR A 481 -15.632 2.224 11.198 1.00 74.79 C ATOM 1187 O THR A 481 -14.914 1.752 10.313 1.00 88.23 O ATOM 1188 CB THR A 481 -17.043 1.024 12.919 1.00 87.20 C ATOM 1189 OG1 THR A 481 -18.022 2.071 12.881 1.00 97.21 O ATOM 1190 CG2 THR A 481 -17.066 0.378 14.306 1.00 74.29 C ATOM 0 H THR A 481 -15.849 3.148 13.803 1.00 81.19 H new ATOM 0 HA THR A 481 -14.994 0.874 12.619 1.00 79.23 H new ATOM 0 HB THR A 481 -17.249 0.353 12.250 1.00 87.20 H new ATOM 0 HG1 THR A 481 -18.418 2.058 12.140 1.00 97.21 H new ATOM 0 HG21 THR A 481 -17.952 0.026 14.484 1.00 74.29 H new ATOM 0 HG22 THR A 481 -16.419 -0.344 14.338 1.00 74.29 H new ATOM 0 HG23 THR A 481 -16.842 1.042 14.976 1.00 74.29 H new ATOM 1191 N ASN A 482 -16.406 3.300 11.022 1.00 62.23 N ATOM 1192 CA ASN A 482 -16.685 3.912 9.711 1.00 60.67 C ATOM 1193 C ASN A 482 -16.282 5.381 9.613 1.00 64.31 C ATOM 1194 O ASN A 482 -16.287 6.095 10.616 1.00 69.40 O ATOM 1195 CB ASN A 482 -18.188 3.848 9.426 1.00 55.27 C ATOM 1196 CG ASN A 482 -18.733 2.439 9.462 1.00 61.41 C ATOM 1197 OD1 ASN A 482 -19.493 2.081 10.362 1.00 62.73 O ATOM 1198 ND2 ASN A 482 -18.347 1.627 8.483 1.00 58.58 N ATOM 0 H ASN A 482 -16.793 3.705 11.675 1.00 62.23 H new ATOM 0 HA ASN A 482 -16.157 3.407 9.072 1.00 60.67 H new ATOM 0 HB2 ASN A 482 -18.660 4.389 10.078 1.00 55.27 H new ATOM 0 HB3 ASN A 482 -18.364 4.236 8.555 1.00 55.27 H new ATOM 0 HD21 ASN A 482 -18.630 0.815 8.461 1.00 58.58 H new ATOM 0 HD22 ASN A 482 -17.815 1.914 7.871 1.00 58.58 H new ATOM 1199 N ARG A 483 -15.967 5.828 8.394 1.00 61.12 N ATOM 1200 CA ARG A 483 -15.831 7.264 8.093 1.00 67.00 C ATOM 1201 C ARG A 483 -17.218 7.911 8.010 1.00 66.12 C ATOM 1202 O ARG A 483 -18.112 7.381 7.350 1.00 75.95 O ATOM 1203 CB ARG A 483 -15.080 7.513 6.777 1.00 61.52 C ATOM 1204 CG ARG A 483 -13.567 7.403 6.865 1.00 66.35 C ATOM 1205 CD ARG A 483 -13.098 5.962 6.837 1.00 65.81 C ATOM 1206 NE ARG A 483 -11.643 5.870 6.892 1.00 70.75 N ATOM 1207 CZ ARG A 483 -10.952 4.729 6.903 1.00 80.71 C ATOM 1208 NH1 ARG A 483 -11.573 3.548 6.861 1.00 93.17 N ATOM 1209 NH2 ARG A 483 -9.623 4.769 6.956 1.00 84.18 N ATOM 0 H ARG A 483 -15.826 5.313 7.720 1.00 61.12 H new ATOM 0 HA ARG A 483 -15.314 7.661 8.812 1.00 67.00 H new ATOM 0 HB2 ARG A 483 -15.398 6.880 6.115 1.00 61.52 H new ATOM 0 HB3 ARG A 483 -15.307 8.399 6.454 1.00 61.52 H new ATOM 0 HG2 ARG A 483 -13.165 7.887 6.127 1.00 66.35 H new ATOM 0 HG3 ARG A 483 -13.260 7.826 7.682 1.00 66.35 H new ATOM 0 HD2 ARG A 483 -13.482 5.481 7.587 1.00 65.81 H new ATOM 0 HD3 ARG A 483 -13.420 5.532 6.029 1.00 65.81 H new ATOM 0 HE ARG A 483 -11.198 6.605 6.919 1.00 70.75 H new ATOM 0 HH11 ARG A 483 -12.432 3.515 6.826 1.00 93.17 H new ATOM 0 HH12 ARG A 483 -11.114 2.821 6.869 1.00 93.17 H new ATOM 0 HH21 ARG A 483 -9.216 5.526 6.983 1.00 84.18 H new ATOM 0 HH22 ARG A 483 -9.171 4.038 6.963 1.00 84.18 H new ATOM 1210 N LEU A 484 -17.367 9.072 8.651 1.00 63.19 N ATOM 1211 CA LEU A 484 -18.666 9.729 8.844 1.00 61.29 C ATOM 1212 C LEU A 484 -18.900 10.873 7.847 1.00 55.37 C ATOM 1213 O LEU A 484 -17.953 11.561 7.450 1.00 52.83 O ATOM 1214 CB LEU A 484 -18.761 10.285 10.275 1.00 49.86 C ATOM 1215 CG LEU A 484 -18.475 9.322 11.439 1.00 62.23 C ATOM 1216 CD1 LEU A 484 -18.228 10.083 12.736 1.00 54.13 C ATOM 1217 CD2 LEU A 484 -19.604 8.312 11.607 1.00 58.53 C ATOM 0 H LEU A 484 -16.708 9.507 8.991 1.00 63.19 H new ATOM 0 HA LEU A 484 -19.349 9.057 8.692 1.00 61.29 H new ATOM 0 HB2 LEU A 484 -18.144 11.030 10.347 1.00 49.86 H new ATOM 0 HB3 LEU A 484 -19.654 10.643 10.397 1.00 49.86 H new ATOM 0 HG LEU A 484 -17.666 8.832 11.223 1.00 62.23 H new ATOM 0 HD11 LEU A 484 -18.051 9.453 13.452 1.00 54.13 H new ATOM 0 HD12 LEU A 484 -17.464 10.671 12.626 1.00 54.13 H new ATOM 0 HD13 LEU A 484 -19.012 10.610 12.956 1.00 54.13 H new ATOM 0 HD21 LEU A 484 -19.400 7.718 12.346 1.00 58.53 H new ATOM 0 HD22 LEU A 484 -20.433 8.781 11.790 1.00 58.53 H new ATOM 0 HD23 LEU A 484 -19.699 7.794 10.793 1.00 58.53 H new ATOM 1218 N ASN A 485 -20.163 11.054 7.449 1.00 44.23 N ATOM 1219 CA ASN A 485 -20.637 12.307 6.825 1.00 48.51 C ATOM 1220 C ASN A 485 -21.551 13.132 7.743 1.00 44.87 C ATOM 1221 O ASN A 485 -21.999 14.215 7.359 1.00 53.52 O ATOM 1222 CB ASN A 485 -21.357 12.033 5.494 1.00 53.08 C ATOM 1223 CG ASN A 485 -22.652 11.262 5.667 1.00 49.13 C ATOM 1224 OD1 ASN A 485 -22.777 10.425 6.563 1.00 52.65 O ATOM 1225 ND2 ASN A 485 -23.619 11.533 4.801 1.00 45.15 N ATOM 0 H ASN A 485 -20.774 10.455 7.532 1.00 44.23 H new ATOM 0 HA ASN A 485 -19.839 12.832 6.659 1.00 48.51 H new ATOM 0 HB2 ASN A 485 -21.545 12.877 5.054 1.00 53.08 H new ATOM 0 HB3 ASN A 485 -20.765 11.534 4.909 1.00 53.08 H new ATOM 0 HD21 ASN A 485 -24.370 11.118 4.852 1.00 45.15 H new ATOM 0 HD22 ASN A 485 -23.495 12.124 4.189 1.00 45.15 H new ATOM 1226 N SER A 486 -21.823 12.623 8.945 1.00 43.56 N ATOM 1227 CA SER A 486 -22.735 13.271 9.882 1.00 49.28 C ATOM 1228 C SER A 486 -22.056 14.460 10.553 1.00 53.87 C ATOM 1229 O SER A 486 -20.835 14.480 10.699 1.00 51.01 O ATOM 1230 CB SER A 486 -23.223 12.275 10.940 1.00 42.58 C ATOM 1231 OG SER A 486 -22.135 11.663 11.602 1.00 37.46 O ATOM 0 H SER A 486 -21.482 11.890 9.239 1.00 43.56 H new ATOM 0 HA SER A 486 -23.503 13.592 9.383 1.00 49.28 H new ATOM 0 HB2 SER A 486 -23.782 12.733 11.586 1.00 42.58 H new ATOM 0 HB3 SER A 486 -23.773 11.596 10.520 1.00 42.58 H new ATOM 0 HG SER A 486 -22.424 11.123 12.177 1.00 37.46 H new ATOM 1232 N ALA A 487 -22.857 15.451 10.932 1.00 56.62 N ATOM 1233 CA ALA A 487 -22.385 16.624 11.667 1.00 57.54 C ATOM 1234 C ALA A 487 -23.308 16.852 12.845 1.00 60.47 C ATOM 1235 O ALA A 487 -24.410 16.301 12.889 1.00 64.99 O ATOM 1236 CB ALA A 487 -22.357 17.849 10.767 1.00 56.61 C ATOM 0 H ALA A 487 -23.701 15.463 10.768 1.00 56.62 H new ATOM 0 HA ALA A 487 -21.480 16.471 11.980 1.00 57.54 H new ATOM 0 HB1 ALA A 487 -22.042 18.615 11.272 1.00 56.61 H new ATOM 0 HB2 ALA A 487 -21.761 17.688 10.019 1.00 56.61 H new ATOM 0 HB3 ALA A 487 -23.251 18.027 10.435 1.00 56.61 H new ATOM 1237 N GLU A 488 -22.856 17.660 13.800 1.00 57.48 N ATOM 1238 CA GLU A 488 -23.648 17.936 14.994 1.00 54.25 C ATOM 1239 C GLU A 488 -23.245 19.221 15.711 1.00 55.27 C ATOM 1240 O GLU A 488 -22.065 19.565 15.794 1.00 62.08 O ATOM 1241 CB GLU A 488 -23.599 16.746 15.960 1.00 55.41 C ATOM 1242 CG GLU A 488 -22.206 16.303 16.368 1.00 45.43 C ATOM 1243 CD GLU A 488 -22.232 15.069 17.244 1.00 43.90 C ATOM 1244 OE1 GLU A 488 -22.684 15.168 18.407 1.00 33.73 O ATOM 1245 OE2 GLU A 488 -21.791 14.001 16.765 1.00 52.33 O ATOM 0 H GLU A 488 -22.094 18.058 13.776 1.00 57.48 H new ATOM 0 HA GLU A 488 -24.559 18.069 14.688 1.00 54.25 H new ATOM 0 HB2 GLU A 488 -24.097 16.976 16.760 1.00 55.41 H new ATOM 0 HB3 GLU A 488 -24.054 15.995 15.549 1.00 55.41 H new ATOM 0 HG2 GLU A 488 -21.680 16.122 15.573 1.00 45.43 H new ATOM 0 HG3 GLU A 488 -21.765 17.025 16.842 1.00 45.43 H new ATOM 1246 N CYS A 489 -24.255 19.897 16.249 1.00 53.12 N ATOM 1247 CA CYS A 489 -24.135 21.221 16.842 1.00 50.19 C ATOM 1248 C CYS A 489 -24.046 21.082 18.353 1.00 50.42 C ATOM 1249 O CYS A 489 -24.673 20.190 18.915 1.00 45.18 O ATOM 1250 CB CYS A 489 -25.382 22.029 16.487 1.00 48.88 C ATOM 1251 SG CYS A 489 -25.138 23.803 16.438 1.00 67.42 S ATOM 0 H CYS A 489 -25.056 19.585 16.279 1.00 53.12 H new ATOM 0 HA CYS A 489 -23.341 21.667 16.507 1.00 50.19 H new ATOM 0 HB2 CYS A 489 -25.707 21.736 15.621 1.00 48.88 H new ATOM 0 HB3 CYS A 489 -26.077 21.828 17.133 1.00 48.88 H new ATOM 0 HG CYS A 489 -24.798 24.130 15.335 1.00 67.42 H new ATOM 1252 N TYR A 490 -23.272 21.960 18.994 1.00 47.94 N ATOM 1253 CA TYR A 490 -23.228 22.080 20.456 1.00 49.97 C ATOM 1254 C TYR A 490 -23.779 23.441 20.885 1.00 50.50 C ATOM 1255 O TYR A 490 -23.541 24.454 20.221 1.00 46.18 O ATOM 1256 CB TYR A 490 -21.799 21.916 20.973 1.00 53.62 C ATOM 1257 CG TYR A 490 -21.637 22.094 22.471 1.00 47.59 C ATOM 1258 CD1 TYR A 490 -22.147 21.150 23.368 1.00 54.41 C ATOM 1259 CD2 TYR A 490 -20.973 23.204 22.997 1.00 50.79 C ATOM 1260 CE1 TYR A 490 -22.000 21.306 24.746 1.00 45.88 C ATOM 1261 CE2 TYR A 490 -20.822 23.369 24.374 1.00 44.31 C ATOM 1262 CZ TYR A 490 -21.338 22.421 25.241 1.00 45.78 C ATOM 1263 OH TYR A 490 -21.190 22.584 26.597 1.00 59.62 O ATOM 0 H TYR A 490 -22.751 22.510 18.588 1.00 47.94 H new ATOM 0 HA TYR A 490 -23.776 21.375 20.836 1.00 49.97 H new ATOM 0 HB2 TYR A 490 -21.480 21.033 20.729 1.00 53.62 H new ATOM 0 HB3 TYR A 490 -21.230 22.558 20.521 1.00 53.62 H new ATOM 0 HD1 TYR A 490 -22.593 20.403 23.039 1.00 54.41 H new ATOM 0 HD2 TYR A 490 -20.625 23.845 22.419 1.00 50.79 H new ATOM 0 HE1 TYR A 490 -22.343 20.668 25.329 1.00 45.88 H new ATOM 0 HE2 TYR A 490 -20.376 24.113 24.708 1.00 44.31 H new ATOM 0 HH TYR A 490 -21.606 21.975 27.000 1.00 59.62 H new ATOM 1264 N TYR A 491 -24.499 23.433 22.007 1.00 50.78 N ATOM 1265 CA TYR A 491 -25.169 24.598 22.571 1.00 46.59 C ATOM 1266 C TYR A 491 -24.546 24.883 23.944 1.00 39.65 C ATOM 1267 O TYR A 491 -24.855 24.180 24.904 1.00 49.22 O ATOM 1268 CB TYR A 491 -26.656 24.286 22.724 1.00 45.91 C ATOM 1269 CG TYR A 491 -27.391 24.152 21.419 1.00 42.51 C ATOM 1270 CD1 TYR A 491 -27.434 22.934 20.745 1.00 44.48 C ATOM 1271 CD2 TYR A 491 -28.055 25.235 20.855 1.00 38.71 C ATOM 1272 CE1 TYR A 491 -28.120 22.799 19.547 1.00 37.46 C ATOM 1273 CE2 TYR A 491 -28.741 25.111 19.654 1.00 40.70 C ATOM 1274 CZ TYR A 491 -28.771 23.888 19.005 1.00 39.71 C ATOM 1275 OH TYR A 491 -29.445 23.749 17.814 1.00 43.45 O ATOM 0 H TYR A 491 -24.613 22.721 22.476 1.00 50.78 H new ATOM 0 HA TYR A 491 -25.067 25.372 21.996 1.00 46.59 H new ATOM 0 HB2 TYR A 491 -26.754 23.462 23.226 1.00 45.91 H new ATOM 0 HB3 TYR A 491 -27.072 24.988 23.248 1.00 45.91 H new ATOM 0 HD1 TYR A 491 -26.995 22.198 21.105 1.00 44.48 H new ATOM 0 HD2 TYR A 491 -28.040 26.057 21.290 1.00 38.71 H new ATOM 0 HE1 TYR A 491 -28.141 21.978 19.111 1.00 37.46 H new ATOM 0 HE2 TYR A 491 -29.178 25.846 19.287 1.00 40.70 H new ATOM 0 HH TYR A 491 -29.793 24.483 17.602 1.00 43.45 H new ATOM 1276 N PRO A 492 -23.644 25.883 24.038 1.00 36.18 N ATOM 1277 CA PRO A 492 -22.917 26.128 25.301 1.00 43.12 C ATOM 1278 C PRO A 492 -23.774 26.504 26.519 1.00 47.77 C ATOM 1279 O PRO A 492 -23.454 26.104 27.644 1.00 47.82 O ATOM 1280 CB PRO A 492 -21.977 27.294 24.960 1.00 37.29 C ATOM 1281 CG PRO A 492 -21.871 27.324 23.487 1.00 29.85 C ATOM 1282 CD PRO A 492 -23.046 26.614 22.903 1.00 35.14 C ATOM 0 HA PRO A 492 -22.487 25.305 25.580 1.00 43.12 H new ATOM 0 HB2 PRO A 492 -22.328 28.132 25.299 1.00 37.29 H new ATOM 0 HB3 PRO A 492 -21.106 27.167 25.367 1.00 37.29 H new ATOM 0 HG2 PRO A 492 -21.842 28.241 23.171 1.00 29.85 H new ATOM 0 HG3 PRO A 492 -21.047 26.900 23.201 1.00 29.85 H new ATOM 0 HD2 PRO A 492 -23.678 27.239 22.514 1.00 35.14 H new ATOM 0 HD3 PRO A 492 -22.776 26.007 22.196 1.00 35.14 H new ATOM 1283 N GLU A 493 -24.832 27.278 26.291 1.00 47.50 N ATOM 1284 CA GLU A 493 -25.673 27.775 27.376 1.00 44.46 C ATOM 1285 C GLU A 493 -26.532 26.633 27.926 1.00 50.80 C ATOM 1286 O GLU A 493 -26.745 26.540 29.136 1.00 40.14 O ATOM 1287 CB GLU A 493 -26.553 28.937 26.899 1.00 47.55 C ATOM 1288 CG GLU A 493 -25.810 30.123 26.277 1.00 53.19 C ATOM 1289 CD GLU A 493 -24.917 30.880 27.252 1.00 61.54 C ATOM 1290 OE1 GLU A 493 -23.721 31.082 26.936 1.00 63.53 O ATOM 1291 OE2 GLU A 493 -25.413 31.290 28.324 1.00 46.63 O ATOM 0 H GLU A 493 -25.081 27.529 25.507 1.00 47.50 H new ATOM 0 HA GLU A 493 -25.103 28.110 28.085 1.00 44.46 H new ATOM 0 HB2 GLU A 493 -27.185 28.595 26.248 1.00 47.55 H new ATOM 0 HB3 GLU A 493 -27.070 29.260 27.654 1.00 47.55 H new ATOM 0 HG2 GLU A 493 -25.268 29.802 25.540 1.00 53.19 H new ATOM 0 HG3 GLU A 493 -26.460 30.739 25.904 1.00 53.19 H new ATOM 1292 N ARG A 494 -27.004 25.772 27.022 1.00 55.17 N ATOM 1293 CA ARG A 494 -27.798 24.593 27.367 1.00 53.43 C ATOM 1294 C ARG A 494 -26.941 23.356 27.736 1.00 61.40 C ATOM 1295 O ARG A 494 -27.406 22.481 28.478 1.00 68.63 O ATOM 1296 CB ARG A 494 -28.742 24.245 26.205 1.00 49.87 C ATOM 1297 CG ARG A 494 -29.742 25.335 25.816 1.00 49.47 C ATOM 1298 CD ARG A 494 -30.498 24.937 24.551 1.00 43.12 C ATOM 1299 NE ARG A 494 -31.650 25.784 24.226 1.00 44.20 N ATOM 1300 CZ ARG A 494 -31.613 26.968 23.596 1.00 57.31 C ATOM 1301 NH1 ARG A 494 -30.465 27.531 23.209 1.00 56.78 N ATOM 1302 NH2 ARG A 494 -32.754 27.617 23.355 1.00 49.09 N ATOM 0 H ARG A 494 -26.869 25.859 26.177 1.00 55.17 H new ATOM 0 HA ARG A 494 -28.305 24.823 28.161 1.00 53.43 H new ATOM 0 HB2 ARG A 494 -28.205 24.029 25.427 1.00 49.87 H new ATOM 0 HB3 ARG A 494 -29.236 23.444 26.440 1.00 49.87 H new ATOM 0 HG2 ARG A 494 -30.369 25.481 26.542 1.00 49.47 H new ATOM 0 HG3 ARG A 494 -29.276 26.173 25.671 1.00 49.47 H new ATOM 0 HD2 ARG A 494 -29.881 24.953 23.803 1.00 43.12 H new ATOM 0 HD3 ARG A 494 -30.804 24.021 24.647 1.00 43.12 H new ATOM 0 HE ARG A 494 -32.424 25.494 24.462 1.00 44.20 H new ATOM 0 HH11 ARG A 494 -29.718 27.133 23.362 1.00 56.78 H new ATOM 0 HH12 ARG A 494 -30.473 28.291 22.807 1.00 56.78 H new ATOM 0 HH21 ARG A 494 -33.503 27.276 23.603 1.00 49.09 H new ATOM 0 HH22 ARG A 494 -32.740 28.376 22.952 1.00 49.09 H new ATOM 1303 N ASN A 495 -25.712 23.288 27.213 1.00 53.67 N ATOM 1304 CA ASN A 495 -24.769 22.168 27.439 1.00 52.25 C ATOM 1305 C ASN A 495 -25.285 20.830 26.894 1.00 54.65 C ATOM 1306 O ASN A 495 -25.398 19.837 27.622 1.00 44.91 O ATOM 1307 CB ASN A 495 -24.362 22.052 28.926 1.00 58.92 C ATOM 1308 CG ASN A 495 -23.275 21.006 29.160 1.00 60.13 C ATOM 1309 OD1 ASN A 495 -22.307 20.915 28.404 1.00 58.26 O ATOM 1310 ND2 ASN A 495 -23.448 20.195 30.198 1.00 48.75 N ATOM 0 H ASN A 495 -25.391 23.903 26.705 1.00 53.67 H new ATOM 0 HA ASN A 495 -23.972 22.383 26.929 1.00 52.25 H new ATOM 0 HB2 ASN A 495 -24.048 22.915 29.240 1.00 58.92 H new ATOM 0 HB3 ASN A 495 -25.143 21.825 29.454 1.00 58.92 H new ATOM 0 HD21 ASN A 495 -22.872 19.578 30.362 1.00 48.75 H new ATOM 0 HD22 ASN A 495 -24.136 20.287 30.706 1.00 48.75 H new ATOM 1311 N GLU A 496 -25.583 20.814 25.598 1.00 57.74 N ATOM 1312 CA GLU A 496 -26.182 19.644 24.959 1.00 57.23 C ATOM 1313 C GLU A 496 -25.898 19.650 23.468 1.00 55.86 C ATOM 1314 O GLU A 496 -25.798 20.720 22.868 1.00 48.33 O ATOM 1315 CB GLU A 496 -27.694 19.624 25.203 1.00 63.61 C ATOM 1316 CG GLU A 496 -28.416 20.910 24.806 1.00 81.85 C ATOM 1317 CD GLU A 496 -29.928 20.817 24.942 1.00 92.72 C ATOM 1318 OE1 GLU A 496 -30.413 20.381 26.016 1.00 66.30 O ATOM 1319 OE2 GLU A 496 -30.629 21.193 23.971 1.00 79.08 O ATOM 0 H GLU A 496 -25.445 21.476 25.067 1.00 57.74 H new ATOM 0 HA GLU A 496 -25.789 18.847 25.348 1.00 57.23 H new ATOM 0 HB2 GLU A 496 -28.080 18.884 24.709 1.00 63.61 H new ATOM 0 HB3 GLU A 496 -27.856 19.453 26.144 1.00 63.61 H new ATOM 0 HG2 GLU A 496 -28.092 21.639 25.358 1.00 81.85 H new ATOM 0 HG3 GLU A 496 -28.193 21.129 23.888 1.00 81.85 H new ATOM 1320 N TRP A 497 -25.791 18.453 22.887 1.00 54.17 N ATOM 1321 CA TRP A 497 -25.498 18.276 21.461 1.00 46.76 C ATOM 1322 C TRP A 497 -26.724 17.916 20.665 1.00 51.25 C ATOM 1323 O TRP A 497 -27.684 17.364 21.205 1.00 56.73 O ATOM 1324 CB TRP A 497 -24.438 17.196 21.270 1.00 49.76 C ATOM 1325 CG TRP A 497 -23.059 17.618 21.708 1.00 47.71 C ATOM 1326 CD1 TRP A 497 -22.515 17.557 22.988 1.00 44.49 C ATOM 1327 CD2 TRP A 497 -21.996 18.172 20.868 1.00 42.21 C ATOM 1328 NE1 TRP A 497 -21.229 18.031 22.998 1.00 43.01 N ATOM 1329 CE2 TRP A 497 -20.856 18.416 21.757 1.00 47.20 C ATOM 1330 CE3 TRP A 497 -21.881 18.491 19.515 1.00 48.31 C ATOM 1331 CZ2 TRP A 497 -19.658 18.949 21.288 1.00 43.62 C ATOM 1332 CZ3 TRP A 497 -20.670 19.030 19.053 1.00 40.73 C ATOM 1333 CH2 TRP A 497 -19.585 19.249 19.922 1.00 39.37 C ATOM 0 H TRP A 497 -25.887 17.713 23.314 1.00 54.17 H new ATOM 0 HA TRP A 497 -25.169 19.128 21.133 1.00 46.76 H new ATOM 0 HB2 TRP A 497 -24.699 16.406 21.768 1.00 49.76 H new ATOM 0 HB3 TRP A 497 -24.409 16.945 20.334 1.00 49.76 H new ATOM 0 HD1 TRP A 497 -22.964 17.237 23.737 1.00 44.49 H new ATOM 0 HE1 TRP A 497 -20.729 18.077 23.696 1.00 43.01 H new ATOM 0 HE3 TRP A 497 -22.591 18.350 18.932 1.00 48.31 H new ATOM 0 HZ2 TRP A 497 -18.938 19.099 21.857 1.00 43.62 H new ATOM 0 HZ3 TRP A 497 -20.583 19.247 18.153 1.00 40.73 H new ATOM 0 HH2 TRP A 497 -18.796 19.603 19.579 1.00 39.37 H new ATOM 1334 N ARG A 498 -26.684 18.205 19.365 1.00 49.66 N ATOM 1335 CA ARG A 498 -27.803 17.941 18.457 1.00 56.54 C ATOM 1336 C ARG A 498 -27.289 17.658 17.049 1.00 64.58 C ATOM 1337 O ARG A 498 -26.462 18.406 16.531 1.00 69.90 O ATOM 1338 CB ARG A 498 -28.731 19.158 18.429 1.00 65.22 C ATOM 1339 CG ARG A 498 -30.004 18.992 17.610 1.00 72.35 C ATOM 1340 CD ARG A 498 -30.906 20.214 17.724 1.00 76.40 C ATOM 1341 NE ARG A 498 -32.258 19.941 17.231 1.00 98.19 N ATOM 1342 CZ ARG A 498 -33.199 19.240 17.876 1.00110.05 C ATOM 1343 NH1 ARG A 498 -32.973 18.703 19.079 1.00111.62 N ATOM 1344 NH2 ARG A 498 -34.390 19.066 17.306 1.00114.65 N ATOM 0 H ARG A 498 -26.002 18.562 18.981 1.00 49.66 H new ATOM 0 HA ARG A 498 -28.290 17.164 18.773 1.00 56.54 H new ATOM 0 HB2 ARG A 498 -28.978 19.378 19.341 1.00 65.22 H new ATOM 0 HB3 ARG A 498 -28.236 19.915 18.079 1.00 65.22 H new ATOM 0 HG2 ARG A 498 -29.774 18.844 16.679 1.00 72.35 H new ATOM 0 HG3 ARG A 498 -30.484 18.205 17.912 1.00 72.35 H new ATOM 0 HD2 ARG A 498 -30.951 20.497 18.651 1.00 76.40 H new ATOM 0 HD3 ARG A 498 -30.521 20.948 17.221 1.00 76.40 H new ATOM 0 HE ARG A 498 -32.466 20.259 16.459 1.00 98.19 H new ATOM 0 HH11 ARG A 498 -32.208 18.804 19.458 1.00111.62 H new ATOM 0 HH12 ARG A 498 -33.593 18.257 19.474 1.00111.62 H new ATOM 0 HH21 ARG A 498 -34.549 19.403 16.531 1.00114.65 H new ATOM 0 HH22 ARG A 498 -35.000 18.617 17.713 1.00114.65 H new ATOM 1345 N MET A 499 -27.787 16.590 16.428 1.00 64.37 N ATOM 1346 CA MET A 499 -27.412 16.261 15.051 1.00 64.71 C ATOM 1347 C MET A 499 -27.990 17.292 14.079 1.00 62.26 C ATOM 1348 O MET A 499 -29.041 17.882 14.347 1.00 59.19 O ATOM 1349 CB MET A 499 -27.893 14.854 14.668 1.00 70.33 C ATOM 1350 CG MET A 499 -27.176 13.719 15.386 1.00 69.43 C ATOM 1351 SD MET A 499 -25.558 13.313 14.691 1.00 75.79 S ATOM 1352 CE MET A 499 -25.322 11.663 15.356 1.00 64.75 C ATOM 0 H MET A 499 -28.344 16.042 16.786 1.00 64.37 H new ATOM 0 HA MET A 499 -26.444 16.279 14.994 1.00 64.71 H new ATOM 0 HB2 MET A 499 -28.843 14.789 14.853 1.00 70.33 H new ATOM 0 HB3 MET A 499 -27.782 14.737 13.712 1.00 70.33 H new ATOM 0 HG2 MET A 499 -27.066 13.958 16.320 1.00 69.43 H new ATOM 0 HG3 MET A 499 -27.736 12.928 15.360 1.00 69.43 H new ATOM 0 HE1 MET A 499 -24.742 11.156 14.766 1.00 64.75 H new ATOM 0 HE2 MET A 499 -24.916 11.723 16.235 1.00 64.75 H new ATOM 0 HE3 MET A 499 -26.180 11.216 15.426 1.00 64.75 H new ATOM 1353 N ILE A 500 -27.280 17.518 12.970 1.00 50.25 N ATOM 1354 CA ILE A 500 -27.738 18.401 11.893 1.00 45.50 C ATOM 1355 C ILE A 500 -27.685 17.659 10.552 1.00 50.43 C ATOM 1356 O ILE A 500 -27.314 16.478 10.495 1.00 45.27 O ATOM 1357 CB ILE A 500 -26.930 19.730 11.849 1.00 46.62 C ATOM 1358 CG1 ILE A 500 -25.483 19.519 11.371 1.00 49.88 C ATOM 1359 CG2 ILE A 500 -26.923 20.388 13.222 1.00 41.70 C ATOM 1360 CD1 ILE A 500 -24.803 20.797 10.926 1.00 39.38 C ATOM 0 H ILE A 500 -26.513 17.160 12.821 1.00 50.25 H new ATOM 0 HA ILE A 500 -28.659 18.648 12.072 1.00 45.50 H new ATOM 0 HB ILE A 500 -27.371 20.309 11.208 1.00 46.62 H new ATOM 0 HG12 ILE A 500 -24.967 19.120 12.089 1.00 49.88 H new ATOM 0 HG13 ILE A 500 -25.482 18.887 10.635 1.00 49.88 H new ATOM 0 HG21 ILE A 500 -26.417 21.215 13.182 1.00 41.70 H new ATOM 0 HG22 ILE A 500 -27.834 20.580 13.494 1.00 41.70 H new ATOM 0 HG23 ILE A 500 -26.513 19.789 13.866 1.00 41.70 H new ATOM 0 HD11 ILE A 500 -23.898 20.599 10.638 1.00 39.38 H new ATOM 0 HD12 ILE A 500 -25.298 21.188 10.189 1.00 39.38 H new ATOM 0 HD13 ILE A 500 -24.776 21.424 11.666 1.00 39.38 H new ATOM 1361 N THR A 501 -28.061 18.356 9.483 1.00 49.69 N ATOM 1362 CA THR A 501 -28.013 17.805 8.128 1.00 53.22 C ATOM 1363 C THR A 501 -26.623 17.232 7.789 1.00 56.97 C ATOM 1364 O THR A 501 -25.631 17.965 7.750 1.00 62.17 O ATOM 1365 CB THR A 501 -28.388 18.880 7.085 1.00 54.90 C ATOM 1366 OG1 THR A 501 -29.496 19.648 7.571 1.00 54.31 O ATOM 1367 CG2 THR A 501 -28.742 18.242 5.739 1.00 49.21 C ATOM 0 H THR A 501 -28.352 19.164 9.522 1.00 49.69 H new ATOM 0 HA THR A 501 -28.659 17.082 8.097 1.00 53.22 H new ATOM 0 HB THR A 501 -27.623 19.460 6.949 1.00 54.90 H new ATOM 0 HG1 THR A 501 -29.745 20.188 6.978 1.00 54.31 H new ATOM 0 HG21 THR A 501 -28.973 18.936 5.102 1.00 49.21 H new ATOM 0 HG22 THR A 501 -27.980 17.741 5.408 1.00 49.21 H new ATOM 0 HG23 THR A 501 -29.497 17.644 5.853 1.00 49.21 H new ATOM 1368 N ALA A 502 -26.563 15.918 7.565 1.00 53.75 N ATOM 1369 CA ALA A 502 -25.322 15.244 7.177 1.00 53.61 C ATOM 1370 C ALA A 502 -24.814 15.745 5.818 1.00 56.18 C ATOM 1371 O ALA A 502 -25.585 16.292 5.024 1.00 47.99 O ATOM 1372 CB ALA A 502 -25.522 13.733 7.153 1.00 54.53 C ATOM 0 H ALA A 502 -27.240 15.393 7.634 1.00 53.75 H new ATOM 0 HA ALA A 502 -24.647 15.457 7.840 1.00 53.61 H new ATOM 0 HB1 ALA A 502 -24.693 13.301 6.895 1.00 54.53 H new ATOM 0 HB2 ALA A 502 -25.784 13.427 8.035 1.00 54.53 H new ATOM 0 HB3 ALA A 502 -26.216 13.508 6.514 1.00 54.53 H new ATOM 1373 N MET A 503 -23.515 15.562 5.574 1.00 54.97 N ATOM 1374 CA MET A 503 -22.849 16.102 4.383 1.00 52.26 C ATOM 1375 C MET A 503 -23.157 15.291 3.125 1.00 47.80 C ATOM 1376 O MET A 503 -23.556 14.128 3.204 1.00 44.28 O ATOM 1377 CB MET A 503 -21.327 16.150 4.582 1.00 61.85 C ATOM 1378 CG MET A 503 -20.847 17.153 5.624 1.00 62.67 C ATOM 1379 SD MET A 503 -19.047 17.265 5.758 1.00 44.55 S ATOM 1380 CE MET A 503 -18.657 15.613 6.336 1.00 37.50 C ATOM 0 H MET A 503 -22.993 15.120 6.095 1.00 54.97 H new ATOM 0 HA MET A 503 -23.196 16.999 4.261 1.00 52.26 H new ATOM 0 HB2 MET A 503 -21.019 15.266 4.837 1.00 61.85 H new ATOM 0 HB3 MET A 503 -20.909 16.361 3.732 1.00 61.85 H new ATOM 0 HG2 MET A 503 -21.201 18.029 5.404 1.00 62.67 H new ATOM 0 HG3 MET A 503 -21.212 16.908 6.489 1.00 62.67 H new ATOM 0 HE1 MET A 503 -17.886 15.649 6.924 1.00 37.50 H new ATOM 0 HE2 MET A 503 -19.416 15.252 6.821 1.00 37.50 H new ATOM 0 HE3 MET A 503 -18.458 15.043 5.577 1.00 37.50 H new ATOM 1381 N ASN A 504 -22.956 15.923 1.971 1.00 46.17 N ATOM 1382 CA ASN A 504 -23.095 15.259 0.669 1.00 53.07 C ATOM 1383 C ASN A 504 -22.085 14.128 0.508 1.00 54.98 C ATOM 1384 O ASN A 504 -22.437 13.036 0.065 1.00 55.06 O ATOM 1385 CB ASN A 504 -22.920 16.262 -0.481 1.00 52.24 C ATOM 1386 CG ASN A 504 -24.009 17.326 -0.513 1.00 62.42 C ATOM 1387 OD1 ASN A 504 -25.177 17.045 -0.237 1.00 62.95 O ATOM 1388 ND2 ASN A 504 -23.629 18.558 -0.862 1.00 57.76 N ATOM 0 H ASN A 504 -22.734 16.752 1.918 1.00 46.17 H new ATOM 0 HA ASN A 504 -23.990 14.886 0.636 1.00 53.07 H new ATOM 0 HB2 ASN A 504 -22.055 16.694 -0.398 1.00 52.24 H new ATOM 0 HB3 ASN A 504 -22.918 15.783 -1.324 1.00 52.24 H new ATOM 0 HD21 ASN A 504 -24.209 19.192 -0.901 1.00 57.76 H new ATOM 0 HD22 ASN A 504 -22.805 18.717 -1.048 1.00 57.76 H new ATOM 1389 N THR A 505 -20.838 14.401 0.891 1.00 62.81 N ATOM 1390 CA THR A 505 -19.731 13.441 0.810 1.00 52.34 C ATOM 1391 C THR A 505 -19.333 12.978 2.210 1.00 49.08 C ATOM 1392 O THR A 505 -19.539 13.703 3.180 1.00 49.17 O ATOM 1393 CB THR A 505 -18.515 14.097 0.129 1.00 46.12 C ATOM 1394 OG1 THR A 505 -18.957 14.861 -1.003 1.00 51.40 O ATOM 1395 CG2 THR A 505 -17.517 13.050 -0.328 1.00 47.34 C ATOM 0 H THR A 505 -20.605 15.164 1.212 1.00 62.81 H new ATOM 0 HA THR A 505 -20.022 12.676 0.289 1.00 52.34 H new ATOM 0 HB THR A 505 -18.079 14.677 0.772 1.00 46.12 H new ATOM 0 HG1 THR A 505 -18.295 15.221 -1.374 1.00 51.40 H new ATOM 0 HG21 THR A 505 -16.762 13.486 -0.753 1.00 47.34 H new ATOM 0 HG22 THR A 505 -17.207 12.542 0.438 1.00 47.34 H new ATOM 0 HG23 THR A 505 -17.943 12.452 -0.962 1.00 47.34 H new ATOM 1396 N ILE A 506 -18.782 11.769 2.318 1.00 48.98 N ATOM 1397 CA ILE A 506 -18.165 11.322 3.571 1.00 48.46 C ATOM 1398 C ILE A 506 -16.790 11.987 3.647 1.00 57.67 C ATOM 1399 O ILE A 506 -16.101 12.098 2.629 1.00 67.41 O ATOM 1400 CB ILE A 506 -18.015 9.795 3.657 1.00 49.74 C ATOM 1401 CG1 ILE A 506 -19.373 9.098 3.499 1.00 50.17 C ATOM 1402 CG2 ILE A 506 -17.402 9.412 4.995 1.00 47.18 C ATOM 1403 CD1 ILE A 506 -19.299 7.590 3.651 1.00 45.65 C ATOM 0 H ILE A 506 -18.754 11.193 1.680 1.00 48.98 H new ATOM 0 HA ILE A 506 -18.736 11.574 4.313 1.00 48.46 H new ATOM 0 HB ILE A 506 -17.435 9.507 2.935 1.00 49.74 H new ATOM 0 HG12 ILE A 506 -19.990 9.453 4.159 1.00 50.17 H new ATOM 0 HG13 ILE A 506 -19.738 9.311 2.626 1.00 50.17 H new ATOM 0 HG21 ILE A 506 -17.309 8.448 5.045 1.00 47.18 H new ATOM 0 HG22 ILE A 506 -16.529 9.825 5.081 1.00 47.18 H new ATOM 0 HG23 ILE A 506 -17.976 9.719 5.714 1.00 47.18 H new ATOM 0 HD11 ILE A 506 -20.185 7.210 3.541 1.00 45.65 H new ATOM 0 HD12 ILE A 506 -18.705 7.225 2.976 1.00 45.65 H new ATOM 0 HD13 ILE A 506 -18.960 7.370 4.533 1.00 45.65 H new ATOM 1404 N ARG A 507 -16.411 12.453 4.838 1.00 49.28 N ATOM 1405 CA ARG A 507 -15.190 13.251 5.023 1.00 41.62 C ATOM 1406 C ARG A 507 -14.582 13.027 6.405 1.00 41.46 C ATOM 1407 O ARG A 507 -15.136 13.466 7.416 1.00 44.03 O ATOM 1408 CB ARG A 507 -15.470 14.751 4.848 1.00 41.94 C ATOM 1409 CG ARG A 507 -16.009 15.172 3.490 1.00 38.51 C ATOM 1410 CD ARG A 507 -16.083 16.682 3.384 1.00 38.05 C ATOM 1411 NE ARG A 507 -16.789 17.103 2.175 1.00 45.11 N ATOM 1412 CZ ARG A 507 -16.231 17.344 0.983 1.00 64.11 C ATOM 1413 NH1 ARG A 507 -14.915 17.226 0.782 1.00 78.11 N ATOM 1414 NH2 ARG A 507 -17.006 17.714 -0.035 1.00 53.27 N ATOM 0 H ARG A 507 -16.853 12.317 5.563 1.00 49.28 H new ATOM 0 HA ARG A 507 -14.563 12.958 4.344 1.00 41.62 H new ATOM 0 HB2 ARG A 507 -16.105 15.025 5.528 1.00 41.94 H new ATOM 0 HB3 ARG A 507 -14.648 15.238 5.015 1.00 41.94 H new ATOM 0 HG2 ARG A 507 -15.438 14.822 2.788 1.00 38.51 H new ATOM 0 HG3 ARG A 507 -16.891 14.791 3.355 1.00 38.51 H new ATOM 0 HD2 ARG A 507 -16.534 17.040 4.164 1.00 38.05 H new ATOM 0 HD3 ARG A 507 -15.186 17.051 3.381 1.00 38.05 H new ATOM 0 HE ARG A 507 -17.641 17.205 2.235 1.00 45.11 H new ATOM 0 HH11 ARG A 507 -14.401 16.989 1.429 1.00 78.11 H new ATOM 0 HH12 ARG A 507 -14.582 17.387 0.005 1.00 78.11 H new ATOM 0 HH21 ARG A 507 -17.855 17.796 0.078 1.00 53.27 H new ATOM 0 HH22 ARG A 507 -16.658 17.871 -0.805 1.00 53.27 H new ATOM 1415 N SER A 508 -13.452 12.326 6.430 1.00 44.23 N ATOM 1416 CA SER A 508 -12.624 12.177 7.617 1.00 40.57 C ATOM 1417 C SER A 508 -11.315 12.907 7.313 1.00 47.66 C ATOM 1418 O SER A 508 -10.743 12.733 6.236 1.00 65.11 O ATOM 1419 CB SER A 508 -12.395 10.693 7.909 1.00 44.53 C ATOM 1420 OG SER A 508 -11.925 10.466 9.225 1.00 40.38 O ATOM 0 H SER A 508 -13.141 11.916 5.741 1.00 44.23 H new ATOM 0 HA SER A 508 -13.043 12.552 8.408 1.00 40.57 H new ATOM 0 HB2 SER A 508 -13.225 10.209 7.777 1.00 44.53 H new ATOM 0 HB3 SER A 508 -11.754 10.336 7.274 1.00 44.53 H new ATOM 0 HG SER A 508 -11.094 10.347 9.209 1.00 40.38 H new ATOM 1421 N GLY A 509 -10.864 13.741 8.247 1.00 53.90 N ATOM 1422 CA GLY A 509 -9.649 14.530 8.071 1.00 42.56 C ATOM 1423 C GLY A 509 -9.806 15.726 7.153 1.00 42.67 C ATOM 1424 O GLY A 509 -8.831 16.175 6.551 1.00 48.37 O ATOM 0 H GLY A 509 -11.256 13.865 9.002 1.00 53.90 H new ATOM 0 HA2 GLY A 509 -9.349 14.840 8.940 1.00 42.56 H new ATOM 0 HA3 GLY A 509 -8.951 13.955 7.719 1.00 42.56 H new ATOM 1425 N ALA A 510 -11.023 16.259 7.050 1.00 48.62 N ATOM 1426 CA ALA A 510 -11.279 17.440 6.221 1.00 43.43 C ATOM 1427 C ALA A 510 -10.815 18.707 6.944 1.00 44.87 C ATOM 1428 O ALA A 510 -10.628 18.706 8.166 1.00 45.83 O ATOM 1429 CB ALA A 510 -12.759 17.535 5.879 1.00 36.75 C ATOM 0 H ALA A 510 -11.717 15.951 7.453 1.00 48.62 H new ATOM 0 HA ALA A 510 -10.777 17.355 5.395 1.00 43.43 H new ATOM 0 HB1 ALA A 510 -12.915 18.320 5.331 1.00 36.75 H new ATOM 0 HB2 ALA A 510 -13.030 16.741 5.391 1.00 36.75 H new ATOM 0 HB3 ALA A 510 -13.276 17.604 6.697 1.00 36.75 H new ATOM 1430 N GLY A 511 -10.615 19.775 6.179 1.00 45.10 N ATOM 1431 CA GLY A 511 -10.385 21.103 6.742 1.00 54.59 C ATOM 1432 C GLY A 511 -11.723 21.794 6.891 1.00 51.44 C ATOM 1433 O GLY A 511 -12.425 21.982 5.898 1.00 42.96 O ATOM 0 H GLY A 511 -10.609 19.751 5.319 1.00 45.10 H new ATOM 0 HA2 GLY A 511 -9.943 21.033 7.603 1.00 54.59 H new ATOM 0 HA3 GLY A 511 -9.801 21.619 6.164 1.00 54.59 H new ATOM 1434 N VAL A 512 -12.089 22.164 8.120 1.00 48.94 N ATOM 1435 CA VAL A 512 -13.383 22.798 8.372 1.00 43.27 C ATOM 1436 C VAL A 512 -13.225 24.161 9.052 1.00 43.17 C ATOM 1437 O VAL A 512 -12.566 24.278 10.084 1.00 51.22 O ATOM 1438 CB VAL A 512 -14.308 21.872 9.173 1.00 39.90 C ATOM 1439 CG1 VAL A 512 -15.677 22.511 9.367 1.00 40.86 C ATOM 1440 CG2 VAL A 512 -14.454 20.541 8.444 1.00 40.96 C ATOM 0 H VAL A 512 -11.602 22.056 8.821 1.00 48.94 H new ATOM 0 HA VAL A 512 -13.801 22.957 7.511 1.00 43.27 H new ATOM 0 HB VAL A 512 -13.916 21.722 10.047 1.00 39.90 H new ATOM 0 HG11 VAL A 512 -16.245 21.911 9.875 1.00 40.86 H new ATOM 0 HG12 VAL A 512 -15.579 23.347 9.849 1.00 40.86 H new ATOM 0 HG13 VAL A 512 -16.080 22.682 8.501 1.00 40.86 H new ATOM 0 HG21 VAL A 512 -15.039 19.956 8.951 1.00 40.96 H new ATOM 0 HG22 VAL A 512 -14.834 20.693 7.564 1.00 40.96 H new ATOM 0 HG23 VAL A 512 -13.583 20.125 8.352 1.00 40.96 H new ATOM 1441 N CYS A 513 -13.842 25.177 8.449 1.00 48.54 N ATOM 1442 CA CYS A 513 -13.732 26.570 8.885 1.00 49.66 C ATOM 1443 C CYS A 513 -15.048 27.317 8.630 1.00 53.83 C ATOM 1444 O CYS A 513 -16.001 26.733 8.112 1.00 65.30 O ATOM 1445 CB CYS A 513 -12.583 27.248 8.138 1.00 43.76 C ATOM 1446 SG CYS A 513 -12.886 27.474 6.375 1.00 50.01 S ATOM 0 H CYS A 513 -14.347 25.074 7.761 1.00 48.54 H new ATOM 0 HA CYS A 513 -13.551 26.591 9.838 1.00 49.66 H new ATOM 0 HB2 CYS A 513 -12.414 28.114 8.541 1.00 43.76 H new ATOM 0 HB3 CYS A 513 -11.778 26.719 8.253 1.00 43.76 H new ATOM 0 HG CYS A 513 -12.306 28.452 5.991 1.00 50.01 H new ATOM 1447 N VAL A 514 -15.083 28.601 8.990 1.00 53.14 N ATOM 1448 CA VAL A 514 -16.287 29.433 8.907 1.00 49.71 C ATOM 1449 C VAL A 514 -16.009 30.705 8.109 1.00 47.05 C ATOM 1450 O VAL A 514 -15.201 31.525 8.538 1.00 56.72 O ATOM 1451 CB VAL A 514 -16.759 29.829 10.323 1.00 42.98 C ATOM 1452 CG1 VAL A 514 -17.934 30.790 10.261 1.00 37.60 C ATOM 1453 CG2 VAL A 514 -17.123 28.590 11.121 1.00 43.81 C ATOM 0 H VAL A 514 -14.397 29.020 9.294 1.00 53.14 H new ATOM 0 HA VAL A 514 -16.977 28.917 8.461 1.00 49.71 H new ATOM 0 HB VAL A 514 -16.028 30.284 10.770 1.00 42.98 H new ATOM 0 HG11 VAL A 514 -18.210 31.022 11.161 1.00 37.60 H new ATOM 0 HG12 VAL A 514 -17.670 31.594 9.787 1.00 37.60 H new ATOM 0 HG13 VAL A 514 -18.673 30.368 9.795 1.00 37.60 H new ATOM 0 HG21 VAL A 514 -17.418 28.851 12.008 1.00 43.81 H new ATOM 0 HG22 VAL A 514 -17.838 28.113 10.671 1.00 43.81 H new ATOM 0 HG23 VAL A 514 -16.347 28.013 11.195 1.00 43.81 H new ATOM 1454 N LEU A 515 -16.678 30.868 6.966 1.00 50.02 N ATOM 1455 CA LEU A 515 -16.536 32.072 6.125 1.00 50.63 C ATOM 1456 C LEU A 515 -17.896 32.607 5.678 1.00 47.58 C ATOM 1457 O LEU A 515 -18.641 31.901 5.005 1.00 53.64 O ATOM 1458 CB LEU A 515 -15.679 31.763 4.891 1.00 46.60 C ATOM 1459 CG LEU A 515 -15.428 32.893 3.882 1.00 39.53 C ATOM 1460 CD1 LEU A 515 -14.793 34.098 4.551 1.00 43.69 C ATOM 1461 CD2 LEU A 515 -14.541 32.409 2.752 1.00 42.71 C ATOM 0 H LEU A 515 -17.228 30.286 6.652 1.00 50.02 H new ATOM 0 HA LEU A 515 -16.100 32.752 6.662 1.00 50.63 H new ATOM 0 HB2 LEU A 515 -14.817 31.445 5.201 1.00 46.60 H new ATOM 0 HB3 LEU A 515 -16.098 31.028 4.416 1.00 46.60 H new ATOM 0 HG LEU A 515 -16.288 33.160 3.521 1.00 39.53 H new ATOM 0 HD11 LEU A 515 -14.646 34.794 3.892 1.00 43.69 H new ATOM 0 HD12 LEU A 515 -15.382 34.430 5.246 1.00 43.69 H new ATOM 0 HD13 LEU A 515 -13.944 33.841 4.943 1.00 43.69 H new ATOM 0 HD21 LEU A 515 -14.392 33.133 2.124 1.00 42.71 H new ATOM 0 HD22 LEU A 515 -13.690 32.114 3.112 1.00 42.71 H new ATOM 0 HD23 LEU A 515 -14.972 31.670 2.296 1.00 42.71 H new ATOM 1462 N HIS A 516 -18.193 33.857 6.037 1.00 54.54 N ATOM 1463 CA HIS A 516 -19.444 34.542 5.665 1.00 59.82 C ATOM 1464 C HIS A 516 -20.668 33.788 6.100 1.00 61.48 C ATOM 1465 O HIS A 516 -21.521 33.431 5.279 1.00 61.65 O ATOM 1466 CB HIS A 516 -19.491 34.849 4.164 1.00 57.05 C ATOM 1467 CG HIS A 516 -18.365 35.728 3.688 1.00 57.42 C ATOM 1468 ND1 HIS A 516 -17.712 36.577 4.506 1.00 51.16 N ATOM 1469 CD2 HIS A 516 -17.801 35.887 2.423 1.00 65.64 C ATOM 1470 CE1 HIS A 516 -16.768 37.238 3.808 1.00 64.38 C ATOM 1471 NE2 HIS A 516 -16.823 36.815 2.533 1.00 73.82 N ATOM 0 H HIS A 516 -17.666 34.343 6.512 1.00 54.54 H new ATOM 0 HA HIS A 516 -19.447 35.385 6.146 1.00 59.82 H new ATOM 0 HB2 HIS A 516 -19.469 34.014 3.671 1.00 57.05 H new ATOM 0 HB3 HIS A 516 -20.335 35.279 3.957 1.00 57.05 H new ATOM 0 HD2 HIS A 516 -18.051 35.438 1.648 1.00 65.64 H new ATOM 0 HE1 HIS A 516 -16.182 37.875 4.148 1.00 64.38 H new ATOM 0 HE2 HIS A 516 -16.319 37.089 1.892 1.00 73.82 H new ATOM 1472 N ASN A 517 -20.727 33.515 7.406 1.00 66.05 N ATOM 1473 CA ASN A 517 -21.859 32.832 8.061 1.00 68.53 C ATOM 1474 C ASN A 517 -22.102 31.352 7.677 1.00 62.18 C ATOM 1475 O ASN A 517 -23.055 30.747 8.172 1.00 67.47 O ATOM 1476 CB ASN A 517 -23.152 33.656 7.871 1.00 67.43 C ATOM 1477 CG ASN A 517 -24.169 33.437 8.986 1.00 68.29 C ATOM 1478 OD1 ASN A 517 -23.860 33.610 10.165 1.00 76.01 O ATOM 1479 ND2 ASN A 517 -25.393 33.064 8.612 1.00 57.73 N ATOM 0 H ASN A 517 -20.097 33.725 7.952 1.00 66.05 H new ATOM 0 HA ASN A 517 -21.599 32.786 8.994 1.00 68.53 H new ATOM 0 HB2 ASN A 517 -22.925 34.598 7.828 1.00 67.43 H new ATOM 0 HB3 ASN A 517 -23.556 33.422 7.021 1.00 67.43 H new ATOM 0 HD21 ASN A 517 -26.003 32.935 9.204 1.00 57.73 H new ATOM 0 HD22 ASN A 517 -25.573 32.953 7.778 1.00 57.73 H new ATOM 1480 N CYS A 518 -21.239 30.766 6.839 1.00 60.78 N ATOM 1481 CA CYS A 518 -21.374 29.371 6.392 1.00 56.73 C ATOM 1482 C CYS A 518 -20.216 28.525 6.898 1.00 55.79 C ATOM 1483 O CYS A 518 -19.112 29.043 7.103 1.00 53.41 O ATOM 1484 CB CYS A 518 -21.387 29.296 4.870 1.00 54.48 C ATOM 1485 SG CYS A 518 -22.730 30.202 4.079 1.00 67.64 S ATOM 0 H CYS A 518 -20.554 31.169 6.511 1.00 60.78 H new ATOM 0 HA CYS A 518 -22.209 29.032 6.750 1.00 56.73 H new ATOM 0 HB2 CYS A 518 -20.543 29.636 4.535 1.00 54.48 H new ATOM 0 HB3 CYS A 518 -21.442 28.364 4.605 1.00 54.48 H new ATOM 0 HG CYS A 518 -22.648 30.081 2.888 1.00 67.64 H new ATOM 1486 N ILE A 519 -20.478 27.231 7.094 1.00 46.36 N ATOM 1487 CA ILE A 519 -19.427 26.242 7.337 1.00 45.11 C ATOM 1488 C ILE A 519 -18.964 25.670 6.002 1.00 52.75 C ATOM 1489 O ILE A 519 -19.784 25.187 5.223 1.00 54.66 O ATOM 1490 CB ILE A 519 -19.909 25.055 8.189 1.00 40.65 C ATOM 1491 CG1 ILE A 519 -20.481 25.539 9.524 1.00 46.50 C ATOM 1492 CG2 ILE A 519 -18.763 24.075 8.414 1.00 35.57 C ATOM 1493 CD1 ILE A 519 -20.881 24.414 10.454 1.00 38.24 C ATOM 0 H ILE A 519 -21.273 26.902 7.090 1.00 46.36 H new ATOM 0 HA ILE A 519 -18.717 26.701 7.813 1.00 45.11 H new ATOM 0 HB ILE A 519 -20.619 24.598 7.711 1.00 40.65 H new ATOM 0 HG12 ILE A 519 -19.822 26.096 9.967 1.00 46.50 H new ATOM 0 HG13 ILE A 519 -21.255 26.098 9.352 1.00 46.50 H new ATOM 0 HG21 ILE A 519 -19.075 23.330 8.952 1.00 35.57 H new ATOM 0 HG22 ILE A 519 -18.446 23.746 7.559 1.00 35.57 H new ATOM 0 HG23 ILE A 519 -18.038 24.525 8.875 1.00 35.57 H new ATOM 0 HD11 ILE A 519 -21.234 24.785 11.278 1.00 38.24 H new ATOM 0 HD12 ILE A 519 -21.561 23.868 10.028 1.00 38.24 H new ATOM 0 HD13 ILE A 519 -20.105 23.867 10.653 1.00 38.24 H new ATOM 1494 N TYR A 520 -17.659 25.727 5.746 1.00 44.41 N ATOM 1495 CA TYR A 520 -17.055 25.013 4.629 1.00 38.25 C ATOM 1496 C TYR A 520 -16.338 23.806 5.198 1.00 36.87 C ATOM 1497 O TYR A 520 -15.669 23.909 6.226 1.00 41.53 O ATOM 1498 CB TYR A 520 -16.044 25.883 3.893 1.00 42.04 C ATOM 1499 CG TYR A 520 -16.630 27.040 3.120 1.00 42.16 C ATOM 1500 CD1 TYR A 520 -17.241 28.106 3.774 1.00 40.57 C ATOM 1501 CD2 TYR A 520 -16.540 27.088 1.727 1.00 47.67 C ATOM 1502 CE1 TYR A 520 -17.760 29.175 3.062 1.00 50.28 C ATOM 1503 CE2 TYR A 520 -17.052 28.157 1.010 1.00 48.23 C ATOM 1504 CZ TYR A 520 -17.656 29.200 1.683 1.00 45.65 C ATOM 1505 OH TYR A 520 -18.163 30.260 0.978 1.00 47.40 O ATOM 0 H TYR A 520 -17.100 26.181 6.216 1.00 44.41 H new ATOM 0 HA TYR A 520 -17.747 24.760 3.998 1.00 38.25 H new ATOM 0 HB2 TYR A 520 -15.410 26.233 4.538 1.00 42.04 H new ATOM 0 HB3 TYR A 520 -15.544 25.323 3.279 1.00 42.04 H new ATOM 0 HD1 TYR A 520 -17.302 28.101 4.702 1.00 40.57 H new ATOM 0 HD2 TYR A 520 -16.128 26.389 1.272 1.00 47.67 H new ATOM 0 HE1 TYR A 520 -18.178 29.875 3.510 1.00 50.28 H new ATOM 0 HE2 TYR A 520 -16.989 28.172 0.082 1.00 48.23 H new ATOM 0 HH TYR A 520 -18.029 30.141 0.157 1.00 47.40 H new ATOM 1506 N ALA A 521 -16.507 22.665 4.540 1.00 34.10 N ATOM 1507 CA ALA A 521 -15.690 21.485 4.770 1.00 40.32 C ATOM 1508 C ALA A 521 -14.938 21.171 3.460 1.00 48.52 C ATOM 1509 O ALA A 521 -15.560 20.811 2.458 1.00 52.05 O ATOM 1510 CB ALA A 521 -16.566 20.323 5.196 1.00 32.98 C ATOM 0 H ALA A 521 -17.111 22.555 3.937 1.00 34.10 H new ATOM 0 HA ALA A 521 -15.050 21.640 5.482 1.00 40.32 H new ATOM 0 HB1 ALA A 521 -16.014 19.540 5.347 1.00 32.98 H new ATOM 0 HB2 ALA A 521 -17.033 20.552 6.015 1.00 32.98 H new ATOM 0 HB3 ALA A 521 -17.213 20.132 4.499 1.00 32.98 H new ATOM 1511 N ALA A 522 -13.614 21.349 3.472 1.00 52.12 N ATOM 1512 CA ALA A 522 -12.749 21.101 2.307 1.00 45.52 C ATOM 1513 C ALA A 522 -11.929 19.829 2.500 1.00 44.97 C ATOM 1514 O ALA A 522 -11.529 19.506 3.621 1.00 49.07 O ATOM 1515 CB ALA A 522 -11.820 22.281 2.078 1.00 40.21 C ATOM 0 H ALA A 522 -13.185 21.621 4.166 1.00 52.12 H new ATOM 0 HA ALA A 522 -13.318 20.988 1.530 1.00 45.52 H new ATOM 0 HB1 ALA A 522 -11.256 22.105 1.309 1.00 40.21 H new ATOM 0 HB2 ALA A 522 -12.345 23.080 1.917 1.00 40.21 H new ATOM 0 HB3 ALA A 522 -11.264 22.412 2.862 1.00 40.21 H new ATOM 1516 N GLY A 523 -11.694 19.115 1.400 1.00 55.73 N ATOM 1517 CA GLY A 523 -10.857 17.908 1.380 1.00 50.49 C ATOM 1518 C GLY A 523 -11.308 16.766 2.274 1.00 44.04 C ATOM 1519 O GLY A 523 -12.476 16.706 2.680 1.00 48.31 O ATOM 0 H GLY A 523 -12.020 19.319 0.631 1.00 55.73 H new ATOM 0 HA2 GLY A 523 -10.813 17.582 0.467 1.00 50.49 H new ATOM 0 HA3 GLY A 523 -9.955 18.158 1.636 1.00 50.49 H new ATOM 1520 N GLY A 524 -10.364 15.869 2.572 1.00 37.01 N ATOM 1521 CA GLY A 524 -10.569 14.737 3.481 1.00 35.22 C ATOM 1522 C GLY A 524 -10.568 13.396 2.760 1.00 51.09 C ATOM 1523 O GLY A 524 -10.271 13.315 1.551 1.00 41.14 O ATOM 0 H GLY A 524 -9.570 15.903 2.244 1.00 37.01 H new ATOM 0 HA2 GLY A 524 -9.871 14.738 4.155 1.00 35.22 H new ATOM 0 HA3 GLY A 524 -11.413 14.849 3.946 1.00 35.22 H new ATOM 1524 N TYR A 525 -10.906 12.347 3.512 1.00 51.38 N ATOM 1525 CA TYR A 525 -10.916 10.966 3.022 1.00 53.95 C ATOM 1526 C TYR A 525 -12.329 10.385 3.132 1.00 57.89 C ATOM 1527 O TYR A 525 -12.901 10.350 4.226 1.00 57.14 O ATOM 1528 CB TYR A 525 -9.932 10.138 3.844 1.00 51.71 C ATOM 1529 CG TYR A 525 -9.637 8.757 3.295 1.00 57.21 C ATOM 1530 CD1 TYR A 525 -8.915 8.594 2.113 1.00 60.19 C ATOM 1531 CD2 TYR A 525 -10.045 7.609 3.980 1.00 61.73 C ATOM 1532 CE1 TYR A 525 -8.629 7.328 1.615 1.00 64.11 C ATOM 1533 CE2 TYR A 525 -9.764 6.340 3.491 1.00 58.24 C ATOM 1534 CZ TYR A 525 -9.058 6.200 2.310 1.00 60.60 C ATOM 1535 OH TYR A 525 -8.787 4.937 1.827 1.00 58.30 O ATOM 0 H TYR A 525 -11.140 12.419 4.336 1.00 51.38 H new ATOM 0 HA TYR A 525 -10.649 10.946 2.090 1.00 53.95 H new ATOM 0 HB2 TYR A 525 -9.098 10.628 3.913 1.00 51.71 H new ATOM 0 HB3 TYR A 525 -10.282 10.045 4.744 1.00 51.71 H new ATOM 0 HD1 TYR A 525 -8.620 9.345 1.650 1.00 60.19 H new ATOM 0 HD2 TYR A 525 -10.514 7.697 4.779 1.00 61.73 H new ATOM 0 HE1 TYR A 525 -8.153 7.235 0.821 1.00 64.11 H new ATOM 0 HE2 TYR A 525 -10.050 5.587 3.956 1.00 58.24 H new ATOM 0 HH TYR A 525 -8.914 4.921 0.997 1.00 58.30 H new ATOM 1536 N ASP A 526 -12.882 9.932 2.002 1.00 56.37 N ATOM 1537 CA ASP A 526 -14.262 9.391 1.951 1.00 52.35 C ATOM 1538 C ASP A 526 -14.407 7.914 2.326 1.00 46.46 C ATOM 1539 O ASP A 526 -15.524 7.409 2.400 1.00 57.36 O ATOM 1540 CB ASP A 526 -14.915 9.646 0.574 1.00 54.70 C ATOM 1541 CG ASP A 526 -14.232 8.903 -0.577 1.00 55.42 C ATOM 1542 OD1 ASP A 526 -13.458 7.950 -0.337 1.00 57.97 O ATOM 1543 OD2 ASP A 526 -14.481 9.288 -1.742 1.00 49.44 O ATOM 0 H ASP A 526 -12.476 9.927 1.244 1.00 56.37 H new ATOM 0 HA ASP A 526 -14.730 9.884 2.644 1.00 52.35 H new ATOM 0 HB2 ASP A 526 -15.847 9.380 0.613 1.00 54.70 H new ATOM 0 HB3 ASP A 526 -14.899 10.598 0.389 1.00 54.70 H new ATOM 1544 N GLY A 527 -13.286 7.235 2.555 1.00 49.66 N ATOM 1545 CA GLY A 527 -13.271 5.801 2.834 1.00 52.20 C ATOM 1546 C GLY A 527 -12.469 5.045 1.798 1.00 44.48 C ATOM 1547 O GLY A 527 -11.898 4.003 2.107 1.00 40.74 O ATOM 0 H GLY A 527 -12.506 7.597 2.553 1.00 49.66 H new ATOM 0 HA2 GLY A 527 -12.894 5.645 3.714 1.00 52.20 H new ATOM 0 HA3 GLY A 527 -14.180 5.464 2.851 1.00 52.20 H new ATOM 1548 N GLN A 528 -12.439 5.564 0.570 1.00 58.35 N ATOM 1549 CA GLN A 528 -11.683 4.971 -0.527 1.00 65.17 C ATOM 1550 C GLN A 528 -10.536 5.892 -0.947 1.00 66.31 C ATOM 1551 O GLN A 528 -9.368 5.502 -0.868 1.00 65.63 O ATOM 1552 CB GLN A 528 -12.623 4.688 -1.710 1.00 75.63 C ATOM 1553 CG GLN A 528 -12.045 3.766 -2.778 1.00 94.59 C ATOM 1554 CD GLN A 528 -11.812 2.354 -2.272 1.00 92.14 C ATOM 1555 OE1 GLN A 528 -12.737 1.695 -1.796 1.00105.56 O ATOM 1556 NE2 GLN A 528 -10.571 1.883 -2.369 1.00 75.96 N ATOM 0 H GLN A 528 -12.863 6.279 0.351 1.00 58.35 H new ATOM 0 HA GLN A 528 -11.296 4.132 -0.230 1.00 65.17 H new ATOM 0 HB2 GLN A 528 -13.442 4.295 -1.370 1.00 75.63 H new ATOM 0 HB3 GLN A 528 -12.864 5.531 -2.124 1.00 75.63 H new ATOM 0 HG2 GLN A 528 -12.649 3.738 -3.536 1.00 94.59 H new ATOM 0 HG3 GLN A 528 -11.206 4.133 -3.097 1.00 94.59 H new ATOM 0 HE21 GLN A 528 -9.950 2.373 -2.707 1.00 75.96 H new ATOM 0 HE22 GLN A 528 -10.390 1.089 -2.093 1.00 75.96 H new ATOM 1557 N ASP A 529 -10.881 7.112 -1.365 1.00 68.29 N ATOM 1558 CA ASP A 529 -9.935 8.059 -1.968 1.00 76.00 C ATOM 1559 C ASP A 529 -9.814 9.363 -1.182 1.00 64.21 C ATOM 1560 O ASP A 529 -10.584 9.620 -0.261 1.00 61.82 O ATOM 1561 CB ASP A 529 -10.379 8.381 -3.401 1.00 85.69 C ATOM 1562 CG ASP A 529 -10.295 7.181 -4.323 1.00104.47 C ATOM 1563 OD1 ASP A 529 -9.194 6.606 -4.447 1.00124.39 O ATOM 1564 OD2 ASP A 529 -11.326 6.817 -4.930 1.00109.23 O ATOM 0 H ASP A 529 -11.683 7.418 -1.306 1.00 68.29 H new ATOM 0 HA ASP A 529 -9.064 7.632 -1.959 1.00 76.00 H new ATOM 0 HB2 ASP A 529 -11.291 8.710 -3.387 1.00 85.69 H new ATOM 0 HB3 ASP A 529 -9.826 9.095 -3.754 1.00 85.69 H new ATOM 1565 N GLN A 530 -8.840 10.180 -1.581 1.00 67.27 N ATOM 1566 CA GLN A 530 -8.672 11.542 -1.065 1.00 53.06 C ATOM 1567 C GLN A 530 -9.559 12.451 -1.896 1.00 51.28 C ATOM 1568 O GLN A 530 -9.893 12.123 -3.036 1.00 63.21 O ATOM 1569 CB GLN A 530 -7.229 12.046 -1.179 1.00 51.93 C ATOM 1570 CG GLN A 530 -6.116 11.010 -1.077 1.00 59.98 C ATOM 1571 CD GLN A 530 -6.121 10.193 0.194 1.00 56.17 C ATOM 1572 OE1 GLN A 530 -5.948 8.972 0.155 1.00 61.25 O ATOM 1573 NE2 GLN A 530 -6.286 10.861 1.330 1.00 48.02 N ATOM 0 H GLN A 530 -8.250 9.958 -2.166 1.00 67.27 H new ATOM 0 HA GLN A 530 -8.906 11.543 -0.124 1.00 53.06 H new ATOM 0 HB2 GLN A 530 -7.137 12.502 -2.030 1.00 51.93 H new ATOM 0 HB3 GLN A 530 -7.087 12.708 -0.485 1.00 51.93 H new ATOM 0 HG2 GLN A 530 -6.183 10.407 -1.834 1.00 59.98 H new ATOM 0 HG3 GLN A 530 -5.262 11.464 -1.151 1.00 59.98 H new ATOM 0 HE21 GLN A 530 -6.404 11.713 1.315 1.00 48.02 H new ATOM 0 HE22 GLN A 530 -6.275 10.442 2.081 1.00 48.02 H new ATOM 1574 N LEU A 531 -9.897 13.612 -1.342 1.00 55.64 N ATOM 1575 CA LEU A 531 -10.912 14.494 -1.922 1.00 45.98 C ATOM 1576 C LEU A 531 -10.377 15.894 -2.222 1.00 44.78 C ATOM 1577 O LEU A 531 -9.522 16.414 -1.498 1.00 45.60 O ATOM 1578 CB LEU A 531 -12.098 14.601 -0.959 1.00 51.39 C ATOM 1579 CG LEU A 531 -12.913 13.324 -0.722 1.00 56.66 C ATOM 1580 CD1 LEU A 531 -13.693 13.417 0.584 1.00 50.83 C ATOM 1581 CD2 LEU A 531 -13.840 13.054 -1.903 1.00 54.38 C ATOM 0 H LEU A 531 -9.545 13.913 -0.618 1.00 55.64 H new ATOM 0 HA LEU A 531 -11.186 14.103 -2.766 1.00 45.98 H new ATOM 0 HB2 LEU A 531 -11.765 14.910 -0.102 1.00 51.39 H new ATOM 0 HB3 LEU A 531 -12.699 15.285 -1.294 1.00 51.39 H new ATOM 0 HG LEU A 531 -12.300 12.576 -0.647 1.00 56.66 H new ATOM 0 HD11 LEU A 531 -14.201 12.602 0.716 1.00 50.83 H new ATOM 0 HD12 LEU A 531 -13.075 13.536 1.322 1.00 50.83 H new ATOM 0 HD13 LEU A 531 -14.300 14.173 0.546 1.00 50.83 H new ATOM 0 HD21 LEU A 531 -14.348 12.244 -1.738 1.00 54.38 H new ATOM 0 HD22 LEU A 531 -14.450 13.800 -2.013 1.00 54.38 H new ATOM 0 HD23 LEU A 531 -13.313 12.946 -2.710 1.00 54.38 H new ATOM 1582 N ASN A 532 -10.888 16.483 -3.305 1.00 44.22 N ATOM 1583 CA ASN A 532 -10.731 17.915 -3.604 1.00 47.47 C ATOM 1584 C ASN A 532 -12.055 18.706 -3.583 1.00 54.74 C ATOM 1585 O ASN A 532 -12.048 19.937 -3.741 1.00 48.02 O ATOM 1586 CB ASN A 532 -10.006 18.119 -4.941 1.00 48.76 C ATOM 1587 CG ASN A 532 -10.745 17.506 -6.124 1.00 59.13 C ATOM 1588 OD1 ASN A 532 -11.560 16.588 -5.963 1.00 55.09 O ATOM 1589 ND2 ASN A 532 -10.448 18.001 -7.327 1.00 53.33 N ATOM 0 H ASN A 532 -11.343 16.057 -3.898 1.00 44.22 H new ATOM 0 HA ASN A 532 -10.189 18.275 -2.884 1.00 47.47 H new ATOM 0 HB2 ASN A 532 -9.889 19.069 -5.097 1.00 48.76 H new ATOM 0 HB3 ASN A 532 -9.119 17.730 -4.884 1.00 48.76 H new ATOM 0 HD21 ASN A 532 -10.828 17.682 -8.029 1.00 53.33 H new ATOM 0 HD22 ASN A 532 -9.876 18.639 -7.400 1.00 53.33 H new ATOM 1590 N SER A 533 -13.176 18.008 -3.373 1.00 50.74 N ATOM 1591 CA SER A 533 -14.494 18.639 -3.321 1.00 53.18 C ATOM 1592 C SER A 533 -14.634 19.490 -2.059 1.00 60.56 C ATOM 1593 O SER A 533 -14.114 19.130 -0.997 1.00 60.86 O ATOM 1594 CB SER A 533 -15.607 17.582 -3.385 1.00 59.20 C ATOM 1595 OG SER A 533 -15.386 16.519 -2.464 1.00 53.67 O ATOM 0 H SER A 533 -13.191 17.156 -3.257 1.00 50.74 H new ATOM 0 HA SER A 533 -14.582 19.220 -4.093 1.00 53.18 H new ATOM 0 HB2 SER A 533 -16.461 18.001 -3.195 1.00 59.20 H new ATOM 0 HB3 SER A 533 -15.660 17.224 -4.285 1.00 59.20 H new ATOM 0 HG SER A 533 -16.011 15.962 -2.524 1.00 53.67 H new ATOM 1596 N VAL A 534 -15.321 20.624 -2.195 1.00 57.84 N ATOM 1597 CA VAL A 534 -15.588 21.528 -1.076 1.00 52.93 C ATOM 1598 C VAL A 534 -17.085 21.814 -1.009 1.00 51.64 C ATOM 1599 O VAL A 534 -17.668 22.248 -2.007 1.00 55.17 O ATOM 1600 CB VAL A 534 -14.832 22.852 -1.249 1.00 49.63 C ATOM 1601 CG1 VAL A 534 -15.021 23.733 -0.019 1.00 49.99 C ATOM 1602 CG2 VAL A 534 -13.356 22.588 -1.506 1.00 46.51 C ATOM 0 H VAL A 534 -15.647 20.892 -2.944 1.00 57.84 H new ATOM 0 HA VAL A 534 -15.287 21.103 -0.257 1.00 52.93 H new ATOM 0 HB VAL A 534 -15.194 23.321 -2.017 1.00 49.63 H new ATOM 0 HG11 VAL A 534 -14.539 24.566 -0.140 1.00 49.99 H new ATOM 0 HG12 VAL A 534 -15.965 23.921 0.103 1.00 49.99 H new ATOM 0 HG13 VAL A 534 -14.680 23.273 0.764 1.00 49.99 H new ATOM 0 HG21 VAL A 534 -12.890 23.432 -1.613 1.00 46.51 H new ATOM 0 HG22 VAL A 534 -12.978 22.104 -0.755 1.00 46.51 H new ATOM 0 HG23 VAL A 534 -13.257 22.060 -2.313 1.00 46.51 H new ATOM 1603 N GLU A 535 -17.703 21.574 0.151 1.00 55.41 N ATOM 1604 CA GLU A 535 -19.135 21.855 0.328 1.00 60.40 C ATOM 1605 C GLU A 535 -19.439 22.794 1.494 1.00 55.78 C ATOM 1606 O GLU A 535 -18.759 22.775 2.517 1.00 63.17 O ATOM 1607 CB GLU A 535 -19.959 20.568 0.425 1.00 61.15 C ATOM 1608 CG GLU A 535 -19.600 19.610 1.539 1.00 51.52 C ATOM 1609 CD GLU A 535 -20.373 18.310 1.412 1.00 56.61 C ATOM 1610 OE1 GLU A 535 -21.566 18.287 1.770 1.00 66.98 O ATOM 1611 OE2 GLU A 535 -19.798 17.311 0.937 1.00 57.17 O ATOM 0 H GLU A 535 -17.314 21.250 0.846 1.00 55.41 H new ATOM 0 HA GLU A 535 -19.404 22.329 -0.474 1.00 60.40 H new ATOM 0 HB2 GLU A 535 -20.892 20.813 0.526 1.00 61.15 H new ATOM 0 HB3 GLU A 535 -19.880 20.094 -0.418 1.00 61.15 H new ATOM 0 HG2 GLU A 535 -18.648 19.427 1.518 1.00 51.52 H new ATOM 0 HG3 GLU A 535 -19.791 20.021 2.397 1.00 51.52 H new ATOM 1612 N ARG A 536 -20.504 23.577 1.310 1.00 52.66 N ATOM 1613 CA ARG A 536 -20.836 24.760 2.098 1.00 45.38 C ATOM 1614 C ARG A 536 -22.214 24.615 2.761 1.00 51.95 C ATOM 1615 O ARG A 536 -23.232 24.568 2.068 1.00 61.53 O ATOM 1616 CB ARG A 536 -20.844 25.967 1.158 1.00 43.04 C ATOM 1617 CG ARG A 536 -21.252 27.285 1.787 1.00 51.65 C ATOM 1618 CD ARG A 536 -20.950 28.453 0.865 1.00 55.63 C ATOM 1619 NE ARG A 536 -21.860 28.525 -0.274 1.00 55.74 N ATOM 1620 CZ ARG A 536 -21.724 29.359 -1.308 1.00 74.63 C ATOM 1621 NH1 ARG A 536 -20.701 30.215 -1.377 1.00 77.67 N ATOM 1622 NH2 ARG A 536 -22.620 29.336 -2.294 1.00 82.31 N ATOM 0 H ARG A 536 -21.080 23.422 0.690 1.00 52.66 H new ATOM 0 HA ARG A 536 -20.178 24.873 2.802 1.00 45.38 H new ATOM 0 HB2 ARG A 536 -19.956 26.068 0.780 1.00 43.04 H new ATOM 0 HB3 ARG A 536 -21.446 25.779 0.421 1.00 43.04 H new ATOM 0 HG2 ARG A 536 -22.200 27.268 1.992 1.00 51.65 H new ATOM 0 HG3 ARG A 536 -20.782 27.404 2.627 1.00 51.65 H new ATOM 0 HD2 ARG A 536 -21.004 29.280 1.369 1.00 55.63 H new ATOM 0 HD3 ARG A 536 -20.039 28.377 0.541 1.00 55.63 H new ATOM 0 HE ARG A 536 -22.534 27.991 -0.280 1.00 55.74 H new ATOM 0 HH11 ARG A 536 -20.115 30.236 -0.748 1.00 77.67 H new ATOM 0 HH12 ARG A 536 -20.629 30.745 -2.050 1.00 77.67 H new ATOM 0 HH21 ARG A 536 -23.281 28.786 -2.262 1.00 82.31 H new ATOM 0 HH22 ARG A 536 -22.538 29.871 -2.962 1.00 82.31 H new ATOM 1623 N TYR A 537 -22.238 24.566 4.092 1.00 54.32 N ATOM 1624 CA TYR A 537 -23.487 24.560 4.867 1.00 56.88 C ATOM 1625 C TYR A 537 -24.044 25.976 5.043 1.00 59.87 C ATOM 1626 O TYR A 537 -23.376 26.834 5.625 1.00 55.75 O ATOM 1627 CB TYR A 537 -23.238 23.954 6.248 1.00 58.25 C ATOM 1628 CG TYR A 537 -24.475 23.770 7.094 1.00 65.07 C ATOM 1629 CD1 TYR A 537 -25.441 22.828 6.750 1.00 74.50 C ATOM 1630 CD2 TYR A 537 -24.674 24.524 8.255 1.00 65.73 C ATOM 1631 CE1 TYR A 537 -26.575 22.647 7.529 1.00 78.83 C ATOM 1632 CE2 TYR A 537 -25.805 24.348 9.040 1.00 70.75 C ATOM 1633 CZ TYR A 537 -26.751 23.409 8.673 1.00 67.68 C ATOM 1634 OH TYR A 537 -27.874 23.230 9.440 1.00 65.46 O ATOM 0 H TYR A 537 -21.528 24.535 4.577 1.00 54.32 H new ATOM 0 HA TYR A 537 -24.134 24.029 4.377 1.00 56.88 H new ATOM 0 HB2 TYR A 537 -22.808 23.092 6.136 1.00 58.25 H new ATOM 0 HB3 TYR A 537 -22.615 24.522 6.728 1.00 58.25 H new ATOM 0 HD1 TYR A 537 -25.324 22.312 5.985 1.00 74.50 H new ATOM 0 HD2 TYR A 537 -24.038 25.154 8.505 1.00 65.73 H new ATOM 0 HE1 TYR A 537 -27.214 22.017 7.284 1.00 78.83 H new ATOM 0 HE2 TYR A 537 -25.926 24.858 9.808 1.00 70.75 H new ATOM 0 HH TYR A 537 -27.851 23.752 10.098 1.00 65.46 H new ATOM 1635 N ASP A 538 -25.257 26.215 4.537 1.00 66.15 N ATOM 1636 CA ASP A 538 -26.011 27.442 4.836 1.00 62.03 C ATOM 1637 C ASP A 538 -26.902 27.153 6.051 1.00 53.38 C ATOM 1638 O ASP A 538 -27.587 26.131 6.088 1.00 49.59 O ATOM 1639 CB ASP A 538 -26.845 27.879 3.624 1.00 63.80 C ATOM 1640 CG ASP A 538 -27.388 29.299 3.758 1.00 70.59 C ATOM 1641 OD1 ASP A 538 -26.592 30.253 3.646 1.00 64.23 O ATOM 1642 OD2 ASP A 538 -28.612 29.466 3.957 1.00 80.45 O ATOM 0 H ASP A 538 -25.667 25.672 4.011 1.00 66.15 H new ATOM 0 HA ASP A 538 -25.405 28.173 5.035 1.00 62.03 H new ATOM 0 HB2 ASP A 538 -26.300 27.820 2.824 1.00 63.80 H new ATOM 0 HB3 ASP A 538 -27.586 27.264 3.508 1.00 63.80 H new ATOM 1643 N VAL A 539 -26.880 28.042 7.045 1.00 61.42 N ATOM 1644 CA VAL A 539 -27.578 27.810 8.323 1.00 59.46 C ATOM 1645 C VAL A 539 -29.096 27.964 8.186 1.00 53.13 C ATOM 1646 O VAL A 539 -29.849 27.139 8.705 1.00 48.72 O ATOM 1647 CB VAL A 539 -27.069 28.754 9.440 1.00 62.66 C ATOM 1648 CG1 VAL A 539 -27.844 28.529 10.728 1.00 64.82 C ATOM 1649 CG2 VAL A 539 -25.579 28.549 9.684 1.00 63.37 C ATOM 0 H VAL A 539 -26.464 28.794 7.003 1.00 61.42 H new ATOM 0 HA VAL A 539 -27.379 26.894 8.571 1.00 59.46 H new ATOM 0 HB VAL A 539 -27.212 29.668 9.147 1.00 62.66 H new ATOM 0 HG11 VAL A 539 -27.512 29.128 11.415 1.00 64.82 H new ATOM 0 HG12 VAL A 539 -28.785 28.705 10.574 1.00 64.82 H new ATOM 0 HG13 VAL A 539 -27.730 27.610 11.018 1.00 64.82 H new ATOM 0 HG21 VAL A 539 -25.280 29.148 10.386 1.00 63.37 H new ATOM 0 HG22 VAL A 539 -25.418 27.631 9.953 1.00 63.37 H new ATOM 0 HG23 VAL A 539 -25.089 28.737 8.869 1.00 63.37 H new ATOM 1650 N ALA A 540 -29.527 29.016 7.490 1.00 51.89 N ATOM 1651 CA ALA A 540 -30.953 29.296 7.277 1.00 58.96 C ATOM 1652 C ALA A 540 -31.670 28.169 6.522 1.00 63.43 C ATOM 1653 O ALA A 540 -32.727 27.707 6.960 1.00 52.78 O ATOM 1654 CB ALA A 540 -31.131 30.618 6.540 1.00 60.25 C ATOM 0 H ALA A 540 -29.001 29.591 7.126 1.00 51.89 H new ATOM 0 HA ALA A 540 -31.362 29.357 8.155 1.00 58.96 H new ATOM 0 HB1 ALA A 540 -32.076 30.790 6.407 1.00 60.25 H new ATOM 0 HB2 ALA A 540 -30.743 31.336 7.065 1.00 60.25 H new ATOM 0 HB3 ALA A 540 -30.687 30.571 5.679 1.00 60.25 H new ATOM 1655 N THR A 541 -31.077 27.720 5.413 1.00 64.75 N ATOM 1656 CA THR A 541 -31.653 26.644 4.579 1.00 54.39 C ATOM 1657 C THR A 541 -31.399 25.225 5.128 1.00 52.58 C ATOM 1658 O THR A 541 -32.146 24.297 4.810 1.00 52.01 O ATOM 1659 CB THR A 541 -31.142 26.704 3.121 1.00 62.12 C ATOM 1660 OG1 THR A 541 -29.791 26.226 3.052 1.00 66.29 O ATOM 1661 CG2 THR A 541 -31.227 28.133 2.555 1.00 61.99 C ATOM 0 H THR A 541 -30.330 28.027 5.118 1.00 64.75 H new ATOM 0 HA THR A 541 -32.608 26.809 4.604 1.00 54.39 H new ATOM 0 HB THR A 541 -31.712 26.134 2.581 1.00 62.12 H new ATOM 0 HG1 THR A 541 -29.774 25.489 2.649 1.00 66.29 H new ATOM 0 HG21 THR A 541 -30.901 28.139 1.642 1.00 61.99 H new ATOM 0 HG22 THR A 541 -32.149 28.433 2.570 1.00 61.99 H new ATOM 0 HG23 THR A 541 -30.685 28.728 3.096 1.00 61.99 H new ATOM 1662 N ALA A 542 -30.346 25.062 5.932 1.00 53.35 N ATOM 1663 CA ALA A 542 -29.983 23.770 6.546 1.00 52.05 C ATOM 1664 C ALA A 542 -29.568 22.707 5.523 1.00 48.52 C ATOM 1665 O ALA A 542 -29.782 21.512 5.741 1.00 43.78 O ATOM 1666 CB ALA A 542 -31.112 23.254 7.436 1.00 49.39 C ATOM 0 H ALA A 542 -29.813 25.704 6.142 1.00 53.35 H new ATOM 0 HA ALA A 542 -29.201 23.941 7.094 1.00 52.05 H new ATOM 0 HB1 ALA A 542 -30.853 22.406 7.829 1.00 49.39 H new ATOM 0 HB2 ALA A 542 -31.287 23.896 8.142 1.00 49.39 H new ATOM 0 HB3 ALA A 542 -31.914 23.132 6.904 1.00 49.39 H new ATOM 1667 N THR A 543 -28.946 23.150 4.428 1.00 52.72 N ATOM 1668 CA THR A 543 -28.525 22.265 3.341 1.00 61.43 C ATOM 1669 C THR A 543 -27.076 22.538 2.912 1.00 60.29 C ATOM 1670 O THR A 543 -26.628 23.689 2.906 1.00 57.24 O ATOM 1671 CB THR A 543 -29.459 22.415 2.129 1.00 79.27 C ATOM 1672 OG1 THR A 543 -29.530 23.795 1.745 1.00 90.06 O ATOM 1673 CG2 THR A 543 -30.861 21.908 2.471 1.00 75.54 C ATOM 0 H THR A 543 -28.756 23.978 4.295 1.00 52.72 H new ATOM 0 HA THR A 543 -28.575 21.356 3.677 1.00 61.43 H new ATOM 0 HB THR A 543 -29.105 21.889 1.395 1.00 79.27 H new ATOM 0 HG1 THR A 543 -30.039 23.876 1.082 1.00 90.06 H new ATOM 0 HG21 THR A 543 -31.439 22.008 1.699 1.00 75.54 H new ATOM 0 HG22 THR A 543 -30.815 20.972 2.720 1.00 75.54 H new ATOM 0 HG23 THR A 543 -31.219 22.422 3.211 1.00 75.54 H new ATOM 1674 N TRP A 544 -26.367 21.463 2.554 1.00 56.38 N ATOM 1675 CA TRP A 544 -24.970 21.514 2.112 1.00 46.58 C ATOM 1676 C TRP A 544 -24.874 21.613 0.606 1.00 47.43 C ATOM 1677 O TRP A 544 -25.291 20.696 -0.098 1.00 54.05 O ATOM 1678 CB TRP A 544 -24.218 20.261 2.560 1.00 49.20 C ATOM 1679 CG TRP A 544 -23.915 20.143 4.043 1.00 45.18 C ATOM 1680 CD1 TRP A 544 -24.689 19.530 5.028 1.00 48.83 C ATOM 1681 CD2 TRP A 544 -22.703 20.590 4.742 1.00 43.10 C ATOM 1682 NE1 TRP A 544 -24.068 19.586 6.255 1.00 40.48 N ATOM 1683 CE2 TRP A 544 -22.878 20.206 6.157 1.00 43.65 C ATOM 1684 CE3 TRP A 544 -21.537 21.256 4.361 1.00 43.11 C ATOM 1685 CZ2 TRP A 544 -21.914 20.489 7.124 1.00 41.50 C ATOM 1686 CZ3 TRP A 544 -20.570 21.534 5.348 1.00 49.07 C ATOM 1687 CH2 TRP A 544 -20.759 21.161 6.700 1.00 34.42 C ATOM 0 H TRP A 544 -26.693 20.667 2.562 1.00 56.38 H new ATOM 0 HA TRP A 544 -24.573 22.303 2.513 1.00 46.58 H new ATOM 0 HB2 TRP A 544 -24.736 19.485 2.294 1.00 49.20 H new ATOM 0 HB3 TRP A 544 -23.379 20.222 2.075 1.00 49.20 H new ATOM 0 HD1 TRP A 544 -25.517 19.135 4.876 1.00 48.83 H new ATOM 0 HE1 TRP A 544 -24.396 19.268 6.984 1.00 40.48 H new ATOM 0 HE3 TRP A 544 -21.401 21.510 3.477 1.00 43.11 H new ATOM 0 HZ2 TRP A 544 -22.032 20.242 8.013 1.00 41.50 H new ATOM 0 HZ3 TRP A 544 -19.788 21.974 5.105 1.00 49.07 H new ATOM 0 HH2 TRP A 544 -20.100 21.367 7.323 1.00 34.42 H new ATOM 1688 N THR A 545 -24.295 22.705 0.106 1.00 51.05 N ATOM 1689 CA THR A 545 -24.093 22.932 -1.332 1.00 52.17 C ATOM 1690 C THR A 545 -22.612 22.836 -1.716 1.00 60.92 C ATOM 1691 O THR A 545 -21.762 23.399 -1.034 1.00 68.47 O ATOM 1692 CB THR A 545 -24.598 24.336 -1.715 1.00 57.05 C ATOM 1693 OG1 THR A 545 -26.028 24.370 -1.608 1.00 54.61 O ATOM 1694 CG2 THR A 545 -24.181 24.718 -3.133 1.00 48.34 C ATOM 0 H THR A 545 -24.003 23.347 0.599 1.00 51.05 H new ATOM 0 HA THR A 545 -24.588 22.246 -1.806 1.00 52.17 H new ATOM 0 HB THR A 545 -24.200 24.977 -1.106 1.00 57.05 H new ATOM 0 HG1 THR A 545 -26.307 25.135 -1.815 1.00 54.61 H new ATOM 0 HG21 THR A 545 -24.514 25.605 -3.341 1.00 48.34 H new ATOM 0 HG22 THR A 545 -23.213 24.713 -3.198 1.00 48.34 H new ATOM 0 HG23 THR A 545 -24.550 24.079 -3.762 1.00 48.34 H new ATOM 1695 N PHE A 546 -22.310 22.141 -2.813 1.00 62.84 N ATOM 1696 CA PHE A 546 -20.940 22.090 -3.345 1.00 50.00 C ATOM 1697 C PHE A 546 -20.507 23.455 -3.879 1.00 52.50 C ATOM 1698 O PHE A 546 -21.327 24.219 -4.386 1.00 44.92 O ATOM 1699 CB PHE A 546 -20.802 21.041 -4.460 1.00 46.80 C ATOM 1700 CG PHE A 546 -20.776 19.617 -3.962 1.00 51.84 C ATOM 1701 CD1 PHE A 546 -19.611 19.080 -3.399 1.00 50.55 C ATOM 1702 CD2 PHE A 546 -21.907 18.804 -4.060 1.00 43.70 C ATOM 1703 CE1 PHE A 546 -19.581 17.766 -2.934 1.00 51.25 C ATOM 1704 CE2 PHE A 546 -21.883 17.488 -3.595 1.00 47.24 C ATOM 1705 CZ PHE A 546 -20.718 16.966 -3.035 1.00 48.60 C ATOM 0 H PHE A 546 -22.884 21.690 -3.268 1.00 62.84 H new ATOM 0 HA PHE A 546 -20.363 21.836 -2.608 1.00 50.00 H new ATOM 0 HB2 PHE A 546 -21.540 21.143 -5.081 1.00 46.80 H new ATOM 0 HB3 PHE A 546 -19.987 21.215 -4.957 1.00 46.80 H new ATOM 0 HD1 PHE A 546 -18.847 19.607 -3.335 1.00 50.55 H new ATOM 0 HD2 PHE A 546 -22.685 19.143 -4.439 1.00 43.70 H new ATOM 0 HE1 PHE A 546 -18.803 17.424 -2.557 1.00 51.25 H new ATOM 0 HE2 PHE A 546 -22.645 16.959 -3.659 1.00 47.24 H new ATOM 0 HZ PHE A 546 -20.699 16.088 -2.730 1.00 48.60 H new ATOM 1706 N VAL A 547 -19.220 23.760 -3.724 1.00 56.39 N ATOM 1707 CA VAL A 547 -18.586 24.915 -4.371 1.00 56.13 C ATOM 1708 C VAL A 547 -17.385 24.394 -5.149 1.00 56.46 C ATOM 1709 O VAL A 547 -17.062 23.204 -5.058 1.00 67.60 O ATOM 1710 CB VAL A 547 -18.151 26.004 -3.355 1.00 59.70 C ATOM 1711 CG1 VAL A 547 -19.368 26.608 -2.671 1.00 62.49 C ATOM 1712 CG2 VAL A 547 -17.175 25.448 -2.324 1.00 53.74 C ATOM 0 H VAL A 547 -18.683 23.299 -3.236 1.00 56.39 H new ATOM 0 HA VAL A 547 -19.227 25.345 -4.959 1.00 56.13 H new ATOM 0 HB VAL A 547 -17.691 26.703 -3.847 1.00 59.70 H new ATOM 0 HG11 VAL A 547 -19.081 27.286 -2.040 1.00 62.49 H new ATOM 0 HG12 VAL A 547 -19.947 27.011 -3.337 1.00 62.49 H new ATOM 0 HG13 VAL A 547 -19.853 25.913 -2.200 1.00 62.49 H new ATOM 0 HG21 VAL A 547 -16.923 26.151 -1.705 1.00 53.74 H new ATOM 0 HG22 VAL A 547 -17.597 24.724 -1.836 1.00 53.74 H new ATOM 0 HG23 VAL A 547 -16.383 25.115 -2.774 1.00 53.74 H new ATOM 1713 N ALA A 548 -16.731 25.280 -5.899 1.00 52.73 N ATOM 1714 CA ALA A 548 -15.568 24.925 -6.724 1.00 54.79 C ATOM 1715 C ALA A 548 -14.533 24.095 -5.942 1.00 61.33 C ATOM 1716 O ALA A 548 -14.178 24.463 -4.818 1.00 51.05 O ATOM 1717 CB ALA A 548 -14.913 26.180 -7.291 1.00 59.18 C ATOM 0 H ALA A 548 -16.949 26.111 -5.946 1.00 52.73 H new ATOM 0 HA ALA A 548 -15.893 24.375 -7.454 1.00 54.79 H new ATOM 0 HB1 ALA A 548 -14.148 25.930 -7.832 1.00 59.18 H new ATOM 0 HB2 ALA A 548 -15.553 26.660 -7.839 1.00 59.18 H new ATOM 0 HB3 ALA A 548 -14.620 26.750 -6.563 1.00 59.18 H new ATOM 1718 N PRO A 549 -14.063 22.968 -6.526 1.00 67.25 N ATOM 1719 CA PRO A 549 -13.163 22.089 -5.795 1.00 56.38 C ATOM 1720 C PRO A 549 -11.718 22.568 -5.880 1.00 59.90 C ATOM 1721 O PRO A 549 -11.384 23.428 -6.705 1.00 63.10 O ATOM 1722 CB PRO A 549 -13.329 20.760 -6.525 1.00 63.39 C ATOM 1723 CG PRO A 549 -13.563 21.156 -7.943 1.00 66.26 C ATOM 1724 CD PRO A 549 -14.204 22.523 -7.929 1.00 65.16 C ATOM 0 HA PRO A 549 -13.364 22.046 -4.847 1.00 56.38 H new ATOM 0 HB2 PRO A 549 -12.538 20.205 -6.437 1.00 63.39 H new ATOM 0 HB3 PRO A 549 -14.074 20.250 -6.171 1.00 63.39 H new ATOM 0 HG2 PRO A 549 -12.727 21.176 -8.435 1.00 66.26 H new ATOM 0 HG3 PRO A 549 -14.138 20.513 -8.387 1.00 66.26 H new ATOM 0 HD2 PRO A 549 -13.759 23.130 -8.541 1.00 65.16 H new ATOM 0 HD3 PRO A 549 -15.135 22.482 -8.197 1.00 65.16 H new ATOM 1725 N MET A 550 -10.873 22.001 -5.028 1.00 54.14 N ATOM 1726 CA MET A 550 -9.457 22.350 -4.987 1.00 55.12 C ATOM 1727 C MET A 550 -8.722 21.721 -6.169 1.00 58.42 C ATOM 1728 O MET A 550 -9.213 20.762 -6.785 1.00 55.60 O ATOM 1729 CB MET A 550 -8.832 21.871 -3.676 1.00 58.14 C ATOM 1730 CG MET A 550 -9.441 22.490 -2.429 1.00 47.34 C ATOM 1731 SD MET A 550 -8.703 21.826 -0.930 1.00 48.13 S ATOM 1732 CE MET A 550 -9.336 20.151 -0.934 1.00 41.13 C ATOM 0 H MET A 550 -11.104 21.402 -4.456 1.00 54.14 H new ATOM 0 HA MET A 550 -9.376 23.315 -5.042 1.00 55.12 H new ATOM 0 HB2 MET A 550 -8.920 20.907 -3.621 1.00 58.14 H new ATOM 0 HB3 MET A 550 -7.882 22.069 -3.692 1.00 58.14 H new ATOM 0 HG2 MET A 550 -9.318 23.452 -2.452 1.00 47.34 H new ATOM 0 HG3 MET A 550 -10.397 22.326 -2.420 1.00 47.34 H new ATOM 0 HE1 MET A 550 -9.322 19.798 -0.031 1.00 41.13 H new ATOM 0 HE2 MET A 550 -10.247 20.150 -1.268 1.00 41.13 H new ATOM 0 HE3 MET A 550 -8.782 19.597 -1.506 1.00 41.13 H new ATOM 1733 N LYS A 551 -7.558 22.280 -6.499 1.00 53.01 N ATOM 1734 CA LYS A 551 -6.704 21.709 -7.543 1.00 68.42 C ATOM 1735 C LYS A 551 -6.108 20.390 -7.068 1.00 64.36 C ATOM 1736 O LYS A 551 -6.196 19.384 -7.773 1.00 68.02 O ATOM 1737 CB LYS A 551 -5.597 22.681 -7.971 1.00 71.32 C ATOM 1738 CG LYS A 551 -6.117 23.869 -8.772 1.00 86.46 C ATOM 1739 CD LYS A 551 -5.020 24.537 -9.590 1.00 94.22 C ATOM 1740 CE LYS A 551 -5.584 25.600 -10.522 1.00 89.59 C ATOM 1741 NZ LYS A 551 -4.582 26.030 -11.537 1.00 79.54 N ATOM 0 H LYS A 551 -7.244 22.991 -6.131 1.00 53.01 H new ATOM 0 HA LYS A 551 -7.258 21.544 -8.322 1.00 68.42 H new ATOM 0 HB2 LYS A 551 -5.138 23.007 -7.181 1.00 71.32 H new ATOM 0 HB3 LYS A 551 -4.942 22.202 -8.502 1.00 71.32 H new ATOM 0 HG2 LYS A 551 -6.825 23.572 -9.365 1.00 86.46 H new ATOM 0 HG3 LYS A 551 -6.508 24.519 -8.167 1.00 86.46 H new ATOM 0 HD2 LYS A 551 -4.371 24.941 -8.993 1.00 94.22 H new ATOM 0 HD3 LYS A 551 -4.549 23.867 -10.110 1.00 94.22 H new ATOM 0 HE2 LYS A 551 -6.371 25.253 -10.971 1.00 89.59 H new ATOM 0 HE3 LYS A 551 -5.869 26.368 -10.003 1.00 89.59 H new ATOM 0 HZ1 LYS A 551 -4.941 26.650 -12.065 1.00 79.54 H new ATOM 0 HZ2 LYS A 551 -3.869 26.368 -11.126 1.00 79.54 H new ATOM 0 HZ3 LYS A 551 -4.337 25.329 -12.028 1.00 79.54 H new ATOM 1742 N HIS A 552 -5.545 20.398 -5.859 1.00 50.21 N ATOM 1743 CA HIS A 552 -4.855 19.236 -5.301 1.00 59.85 C ATOM 1744 C HIS A 552 -5.666 18.554 -4.227 1.00 48.13 C ATOM 1745 O HIS A 552 -6.009 19.165 -3.224 1.00 53.34 O ATOM 1746 CB HIS A 552 -3.495 19.668 -4.757 1.00 68.17 C ATOM 1747 CG HIS A 552 -2.660 20.432 -5.761 1.00 71.29 C ATOM 1748 ND1 HIS A 552 -2.169 19.862 -6.875 1.00 67.54 N ATOM 1749 CD2 HIS A 552 -2.260 21.768 -5.795 1.00 78.39 C ATOM 1750 CE1 HIS A 552 -1.482 20.778 -7.583 1.00 76.60 C ATOM 1751 NE2 HIS A 552 -1.537 21.944 -6.921 1.00 87.10 N ATOM 0 H HIS A 552 -5.553 21.082 -5.338 1.00 50.21 H new ATOM 0 HA HIS A 552 -4.732 18.588 -6.012 1.00 59.85 H new ATOM 0 HB2 HIS A 552 -3.629 20.221 -3.971 1.00 68.17 H new ATOM 0 HB3 HIS A 552 -3.004 18.882 -4.470 1.00 68.17 H new ATOM 0 HD2 HIS A 552 -2.456 22.418 -5.159 1.00 78.39 H new ATOM 0 HE1 HIS A 552 -1.045 20.629 -8.390 1.00 76.60 H new ATOM 0 HE2 HIS A 552 -1.172 22.681 -7.172 1.00 87.10 H new ATOM 1752 N ARG A 553 -5.966 17.273 -4.429 1.00 58.31 N ATOM 1753 CA ARG A 553 -6.660 16.447 -3.427 1.00 59.79 C ATOM 1754 C ARG A 553 -5.846 16.417 -2.145 1.00 57.08 C ATOM 1755 O ARG A 553 -4.612 16.459 -2.202 1.00 61.08 O ATOM 1756 CB ARG A 553 -6.820 14.993 -3.906 1.00 69.53 C ATOM 1757 CG ARG A 553 -7.600 14.796 -5.197 1.00 77.04 C ATOM 1758 CD ARG A 553 -7.561 13.344 -5.654 1.00 62.13 C ATOM 1759 NE ARG A 553 -8.129 13.198 -6.995 1.00 55.91 N ATOM 1760 CZ ARG A 553 -9.432 13.220 -7.299 1.00 71.83 C ATOM 1761 NH1 ARG A 553 -10.370 13.383 -6.363 1.00 75.91 N ATOM 1762 NH2 ARG A 553 -9.809 13.077 -8.569 1.00 90.01 N ATOM 0 H ARG A 553 -5.774 16.852 -5.154 1.00 58.31 H new ATOM 0 HA ARG A 553 -7.536 16.838 -3.284 1.00 59.79 H new ATOM 0 HB2 ARG A 553 -5.936 14.611 -4.022 1.00 69.53 H new ATOM 0 HB3 ARG A 553 -7.258 14.487 -3.204 1.00 69.53 H new ATOM 0 HG2 ARG A 553 -8.521 15.071 -5.066 1.00 77.04 H new ATOM 0 HG3 ARG A 553 -7.230 15.365 -5.890 1.00 77.04 H new ATOM 0 HD2 ARG A 553 -6.645 13.026 -5.651 1.00 62.13 H new ATOM 0 HD3 ARG A 553 -8.055 12.792 -5.028 1.00 62.13 H new ATOM 0 HE ARG A 553 -7.577 13.088 -7.645 1.00 55.91 H new ATOM 0 HH11 ARG A 553 -10.143 13.477 -5.539 1.00 75.91 H new ATOM 0 HH12 ARG A 553 -11.201 13.394 -6.584 1.00 75.91 H new ATOM 0 HH21 ARG A 553 -9.217 12.972 -9.184 1.00 90.01 H new ATOM 0 HH22 ARG A 553 -10.644 13.090 -8.774 1.00 90.01 H new ATOM 1763 N ARG A 554 -6.520 16.321 -1.000 1.00 47.10 N ATOM 1764 CA ARG A 554 -5.811 16.256 0.283 1.00 47.44 C ATOM 1765 C ARG A 554 -6.646 15.825 1.487 1.00 50.40 C ATOM 1766 O ARG A 554 -7.852 16.075 1.553 1.00 54.04 O ATOM 1767 CB ARG A 554 -5.157 17.600 0.600 1.00 47.77 C ATOM 1768 CG ARG A 554 -6.078 18.795 0.464 1.00 46.36 C ATOM 1769 CD ARG A 554 -5.312 20.070 0.749 1.00 45.73 C ATOM 1770 NE ARG A 554 -4.874 20.758 -0.464 1.00 41.31 N ATOM 1771 CZ ARG A 554 -3.726 21.423 -0.619 1.00 40.23 C ATOM 1772 NH1 ARG A 554 -2.803 21.473 0.347 1.00 37.55 N ATOM 1773 NH2 ARG A 554 -3.482 22.032 -1.787 1.00 37.23 N ATOM 0 H ARG A 554 -7.378 16.292 -0.941 1.00 47.10 H new ATOM 0 HA ARG A 554 -5.154 15.555 0.150 1.00 47.44 H new ATOM 0 HB2 ARG A 554 -4.812 17.573 1.506 1.00 47.77 H new ATOM 0 HB3 ARG A 554 -4.396 17.724 0.011 1.00 47.77 H new ATOM 0 HG2 ARG A 554 -6.451 18.826 -0.431 1.00 46.36 H new ATOM 0 HG3 ARG A 554 -6.823 18.711 1.080 1.00 46.36 H new ATOM 0 HD2 ARG A 554 -5.871 20.668 1.269 1.00 45.73 H new ATOM 0 HD3 ARG A 554 -4.537 19.861 1.294 1.00 45.73 H new ATOM 0 HE ARG A 554 -5.404 20.732 -1.140 1.00 41.31 H new ATOM 0 HH11 ARG A 554 -2.940 21.070 1.094 1.00 37.55 H new ATOM 0 HH12 ARG A 554 -2.072 21.908 0.221 1.00 37.55 H new ATOM 0 HH21 ARG A 554 -4.060 21.991 -2.422 1.00 37.23 H new ATOM 0 HH22 ARG A 554 -2.747 22.464 -1.901 1.00 37.23 H new ATOM 1774 N SER A 555 -5.960 15.189 2.437 1.00 50.14 N ATOM 1775 CA SER A 555 -6.519 14.774 3.721 1.00 47.20 C ATOM 1776 C SER A 555 -5.529 15.105 4.841 1.00 50.12 C ATOM 1777 O SER A 555 -4.320 15.159 4.608 1.00 54.57 O ATOM 1778 CB SER A 555 -6.809 13.276 3.690 1.00 45.23 C ATOM 1779 OG SER A 555 -7.140 12.777 4.972 1.00 47.78 O ATOM 0 H SER A 555 -5.130 14.981 2.348 1.00 50.14 H new ATOM 0 HA SER A 555 -7.348 15.249 3.887 1.00 47.20 H new ATOM 0 HB2 SER A 555 -7.540 13.101 3.076 1.00 45.23 H new ATOM 0 HB3 SER A 555 -6.033 12.804 3.350 1.00 45.23 H new ATOM 0 HG SER A 555 -6.436 12.580 5.387 1.00 47.78 H new ATOM 1780 N ALA A 556 -6.054 15.301 6.052 1.00 57.12 N ATOM 1781 CA ALA A 556 -5.270 15.738 7.216 1.00 45.35 C ATOM 1782 C ALA A 556 -4.590 17.082 6.947 1.00 46.65 C ATOM 1783 O ALA A 556 -3.428 17.285 7.298 1.00 47.63 O ATOM 1784 CB ALA A 556 -4.252 14.676 7.602 1.00 43.10 C ATOM 0 H ALA A 556 -6.888 15.183 6.225 1.00 57.12 H new ATOM 0 HA ALA A 556 -5.877 15.861 7.963 1.00 45.35 H new ATOM 0 HB1 ALA A 556 -3.744 14.979 8.370 1.00 43.10 H new ATOM 0 HB2 ALA A 556 -4.712 13.852 7.824 1.00 43.10 H new ATOM 0 HB3 ALA A 556 -3.650 14.519 6.858 1.00 43.10 H new ATOM 1785 N LEU A 557 -5.342 17.994 6.333 1.00 50.72 N ATOM 1786 CA LEU A 557 -4.815 19.271 5.859 1.00 52.33 C ATOM 1787 C LEU A 557 -5.069 20.368 6.874 1.00 49.86 C ATOM 1788 O LEU A 557 -5.974 20.261 7.697 1.00 60.31 O ATOM 1789 CB LEU A 557 -5.394 19.650 4.479 1.00 59.38 C ATOM 1790 CG LEU A 557 -6.883 19.897 4.147 1.00 61.33 C ATOM 1791 CD1 LEU A 557 -7.766 18.675 4.365 1.00 52.58 C ATOM 1792 CD2 LEU A 557 -7.439 21.114 4.870 1.00 56.13 C ATOM 0 H LEU A 557 -6.181 17.887 6.179 1.00 50.72 H new ATOM 0 HA LEU A 557 -3.856 19.170 5.753 1.00 52.33 H new ATOM 0 HB2 LEU A 557 -4.931 20.461 4.216 1.00 59.38 H new ATOM 0 HB3 LEU A 557 -5.105 18.949 3.874 1.00 59.38 H new ATOM 0 HG LEU A 557 -6.904 20.082 3.195 1.00 61.33 H new ATOM 0 HD11 LEU A 557 -8.684 18.894 4.140 1.00 52.58 H new ATOM 0 HD12 LEU A 557 -7.460 17.949 3.799 1.00 52.58 H new ATOM 0 HD13 LEU A 557 -7.718 18.402 5.295 1.00 52.58 H new ATOM 0 HD21 LEU A 557 -8.372 21.232 4.634 1.00 56.13 H new ATOM 0 HD22 LEU A 557 -7.362 20.985 5.828 1.00 56.13 H new ATOM 0 HD23 LEU A 557 -6.938 21.902 4.609 1.00 56.13 H new ATOM 1793 N GLY A 558 -4.245 21.410 6.821 1.00 51.94 N ATOM 1794 CA GLY A 558 -4.437 22.602 7.643 1.00 55.58 C ATOM 1795 C GLY A 558 -5.441 23.516 6.971 1.00 54.79 C ATOM 1796 O GLY A 558 -5.534 23.533 5.742 1.00 48.61 O ATOM 0 H GLY A 558 -3.557 21.446 6.306 1.00 51.94 H new ATOM 0 HA2 GLY A 558 -4.752 22.352 8.526 1.00 55.58 H new ATOM 0 HA3 GLY A 558 -3.593 23.064 7.763 1.00 55.58 H new ATOM 1797 N ILE A 559 -6.200 24.264 7.768 1.00 44.79 N ATOM 1798 CA ILE A 559 -7.160 25.220 7.223 1.00 41.43 C ATOM 1799 C ILE A 559 -7.346 26.419 8.142 1.00 37.89 C ATOM 1800 O ILE A 559 -7.322 26.286 9.366 1.00 45.07 O ATOM 1801 CB ILE A 559 -8.527 24.551 6.917 1.00 47.29 C ATOM 1802 CG1 ILE A 559 -9.377 25.441 5.999 1.00 43.16 C ATOM 1803 CG2 ILE A 559 -9.290 24.207 8.194 1.00 40.25 C ATOM 1804 CD1 ILE A 559 -10.520 24.700 5.339 1.00 38.04 C ATOM 0 H ILE A 559 -6.174 24.233 8.627 1.00 44.79 H new ATOM 0 HA ILE A 559 -6.789 25.540 6.386 1.00 41.43 H new ATOM 0 HB ILE A 559 -8.344 23.718 6.455 1.00 47.29 H new ATOM 0 HG12 ILE A 559 -9.734 26.180 6.516 1.00 43.16 H new ATOM 0 HG13 ILE A 559 -8.808 25.823 5.313 1.00 43.16 H new ATOM 0 HG21 ILE A 559 -10.136 23.792 7.964 1.00 40.25 H new ATOM 0 HG22 ILE A 559 -8.764 23.593 8.730 1.00 40.25 H new ATOM 0 HG23 ILE A 559 -9.455 25.017 8.701 1.00 40.25 H new ATOM 0 HD11 ILE A 559 -11.019 25.311 4.774 1.00 38.04 H new ATOM 0 HD12 ILE A 559 -10.167 23.976 4.799 1.00 38.04 H new ATOM 0 HD13 ILE A 559 -11.108 24.338 6.021 1.00 38.04 H new ATOM 1805 N THR A 560 -7.503 27.592 7.539 1.00 36.12 N ATOM 1806 CA THR A 560 -7.963 28.772 8.265 1.00 41.42 C ATOM 1807 C THR A 560 -8.571 29.776 7.292 1.00 42.45 C ATOM 1808 O THR A 560 -8.533 29.570 6.074 1.00 37.57 O ATOM 1809 CB THR A 560 -6.821 29.439 9.070 1.00 44.27 C ATOM 1810 OG1 THR A 560 -7.368 30.337 10.047 1.00 37.26 O ATOM 1811 CG2 THR A 560 -5.861 30.195 8.144 1.00 35.58 C ATOM 0 H THR A 560 -7.348 27.727 6.704 1.00 36.12 H new ATOM 0 HA THR A 560 -8.637 28.482 8.900 1.00 41.42 H new ATOM 0 HB THR A 560 -6.321 28.740 9.520 1.00 44.27 H new ATOM 0 HG1 THR A 560 -7.068 30.141 10.807 1.00 37.26 H new ATOM 0 HG21 THR A 560 -5.156 30.603 8.671 1.00 35.58 H new ATOM 0 HG22 THR A 560 -5.471 29.576 7.507 1.00 35.58 H new ATOM 0 HG23 THR A 560 -6.348 30.885 7.667 1.00 35.58 H new ATOM 1812 N VAL A 561 -9.135 30.845 7.853 1.00 48.45 N ATOM 1813 CA VAL A 561 -9.645 31.983 7.093 1.00 47.17 C ATOM 1814 C VAL A 561 -8.800 33.213 7.431 1.00 48.38 C ATOM 1815 O VAL A 561 -8.478 33.443 8.596 1.00 41.66 O ATOM 1816 CB VAL A 561 -11.129 32.265 7.417 1.00 43.90 C ATOM 1817 CG1 VAL A 561 -11.624 33.503 6.670 1.00 42.30 C ATOM 1818 CG2 VAL A 561 -11.984 31.058 7.070 1.00 33.05 C ATOM 0 H VAL A 561 -9.233 30.929 8.703 1.00 48.45 H new ATOM 0 HA VAL A 561 -9.586 31.777 6.147 1.00 47.17 H new ATOM 0 HB VAL A 561 -11.205 32.436 8.369 1.00 43.90 H new ATOM 0 HG11 VAL A 561 -12.556 33.661 6.887 1.00 42.30 H new ATOM 0 HG12 VAL A 561 -11.096 34.273 6.933 1.00 42.30 H new ATOM 0 HG13 VAL A 561 -11.535 33.362 5.714 1.00 42.30 H new ATOM 0 HG21 VAL A 561 -12.912 31.248 7.278 1.00 33.05 H new ATOM 0 HG22 VAL A 561 -11.899 30.862 6.124 1.00 33.05 H new ATOM 0 HG23 VAL A 561 -11.688 30.292 7.586 1.00 33.05 H new ATOM 1819 N HIS A 562 -8.445 33.989 6.406 1.00 50.05 N ATOM 1820 CA HIS A 562 -7.675 35.224 6.580 1.00 46.63 C ATOM 1821 C HIS A 562 -8.217 36.267 5.650 1.00 47.80 C ATOM 1822 O HIS A 562 -8.056 36.160 4.431 1.00 51.79 O ATOM 1823 CB HIS A 562 -6.194 34.956 6.320 1.00 43.10 C ATOM 1824 CG HIS A 562 -5.296 36.165 6.487 1.00 41.37 C ATOM 1825 ND1 HIS A 562 -5.047 37.026 5.483 1.00 46.75 N ATOM 1826 CD2 HIS A 562 -4.552 36.612 7.579 1.00 38.11 C ATOM 1827 CE1 HIS A 562 -4.200 37.983 5.910 1.00 37.79 C ATOM 1828 NE2 HIS A 562 -3.897 37.727 7.190 1.00 37.83 N ATOM 0 H HIS A 562 -8.644 33.814 5.588 1.00 50.05 H new ATOM 0 HA HIS A 562 -7.758 35.547 7.491 1.00 46.63 H new ATOM 0 HB2 HIS A 562 -5.893 34.258 6.923 1.00 43.10 H new ATOM 0 HB3 HIS A 562 -6.093 34.615 5.418 1.00 43.10 H new ATOM 0 HD2 HIS A 562 -4.514 36.216 8.419 1.00 38.11 H new ATOM 0 HE1 HIS A 562 -3.882 38.696 5.405 1.00 37.79 H new ATOM 0 HE2 HIS A 562 -3.371 38.196 7.683 1.00 37.83 H new ATOM 1829 N GLN A 563 -8.893 37.264 6.225 1.00 49.95 N ATOM 1830 CA GLN A 563 -9.426 38.417 5.487 1.00 55.77 C ATOM 1831 C GLN A 563 -10.354 38.025 4.342 1.00 49.50 C ATOM 1832 O GLN A 563 -10.132 38.383 3.187 1.00 51.49 O ATOM 1833 CB GLN A 563 -8.291 39.336 5.009 1.00 53.06 C ATOM 1834 CG GLN A 563 -7.504 39.954 6.158 1.00 63.43 C ATOM 1835 CD GLN A 563 -6.956 41.328 5.820 1.00 72.83 C ATOM 1836 OE1 GLN A 563 -6.364 41.527 4.756 1.00 62.58 O ATOM 1837 NE2 GLN A 563 -7.155 42.285 6.722 1.00 71.03 N ATOM 0 H GLN A 563 -9.058 37.291 7.069 1.00 49.95 H new ATOM 0 HA GLN A 563 -9.977 38.913 6.112 1.00 55.77 H new ATOM 0 HB2 GLN A 563 -7.686 38.829 4.445 1.00 53.06 H new ATOM 0 HB3 GLN A 563 -8.664 40.044 4.461 1.00 53.06 H new ATOM 0 HG2 GLN A 563 -8.077 40.021 6.938 1.00 63.43 H new ATOM 0 HG3 GLN A 563 -6.770 39.366 6.395 1.00 63.43 H new ATOM 0 HE21 GLN A 563 -7.573 42.107 7.453 1.00 71.03 H new ATOM 0 HE22 GLN A 563 -6.866 43.082 6.575 1.00 71.03 H new ATOM 1838 N GLY A 564 -11.396 37.276 4.693 1.00 61.85 N ATOM 1839 CA GLY A 564 -12.451 36.895 3.756 1.00 52.67 C ATOM 1840 C GLY A 564 -12.087 35.852 2.719 1.00 44.20 C ATOM 1841 O GLY A 564 -12.779 35.743 1.713 1.00 55.83 O ATOM 0 H GLY A 564 -11.512 36.972 5.489 1.00 61.85 H new ATOM 0 HA2 GLY A 564 -13.207 36.565 4.267 1.00 52.67 H new ATOM 0 HA3 GLY A 564 -12.749 37.693 3.293 1.00 52.67 H new ATOM 1842 N ARG A 565 -11.010 35.098 2.954 1.00 49.21 N ATOM 1843 CA ARG A 565 -10.576 34.008 2.062 1.00 50.24 C ATOM 1844 C ARG A 565 -10.153 32.789 2.888 1.00 47.20 C ATOM 1845 O ARG A 565 -9.579 32.955 3.970 1.00 47.77 O ATOM 1846 CB ARG A 565 -9.394 34.453 1.196 1.00 56.94 C ATOM 1847 CG ARG A 565 -9.665 35.627 0.267 1.00 66.25 C ATOM 1848 CD ARG A 565 -8.392 36.072 -0.441 1.00 78.77 C ATOM 1849 NE ARG A 565 -8.454 37.469 -0.887 1.00 94.35 N ATOM 1850 CZ ARG A 565 -8.930 37.906 -2.059 1.00 85.16 C ATOM 1851 NH1 ARG A 565 -9.426 37.070 -2.976 1.00 83.62 N ATOM 1852 NH2 ARG A 565 -8.913 39.214 -2.317 1.00 65.83 N ATOM 0 H ARG A 565 -10.504 35.203 3.641 1.00 49.21 H new ATOM 0 HA ARG A 565 -11.323 33.776 1.488 1.00 50.24 H new ATOM 0 HB2 ARG A 565 -8.656 34.687 1.780 1.00 56.94 H new ATOM 0 HB3 ARG A 565 -9.104 33.698 0.661 1.00 56.94 H new ATOM 0 HG2 ARG A 565 -10.333 35.376 -0.390 1.00 66.25 H new ATOM 0 HG3 ARG A 565 -10.032 36.367 0.775 1.00 66.25 H new ATOM 0 HD2 ARG A 565 -7.637 35.960 0.158 1.00 78.77 H new ATOM 0 HD3 ARG A 565 -8.234 35.498 -1.207 1.00 78.77 H new ATOM 0 HE ARG A 565 -8.156 38.064 -0.343 1.00 94.35 H new ATOM 0 HH11 ARG A 565 -9.446 36.224 -2.821 1.00 83.62 H new ATOM 0 HH12 ARG A 565 -9.726 37.378 -3.721 1.00 83.62 H new ATOM 0 HH21 ARG A 565 -8.599 39.763 -1.734 1.00 65.83 H new ATOM 0 HH22 ARG A 565 -9.216 39.508 -3.066 1.00 65.83 H new ATOM 1853 N ILE A 566 -10.441 31.585 2.376 1.00 40.38 N ATOM 1854 CA ILE A 566 -10.053 30.321 3.024 1.00 45.12 C ATOM 1855 C ILE A 566 -8.671 29.917 2.527 1.00 46.72 C ATOM 1856 O ILE A 566 -8.404 29.989 1.332 1.00 45.80 O ATOM 1857 CB ILE A 566 -11.023 29.156 2.706 1.00 42.44 C ATOM 1858 CG1 ILE A 566 -12.465 29.527 3.041 1.00 42.61 C ATOM 1859 CG2 ILE A 566 -10.630 27.897 3.468 1.00 37.67 C ATOM 1860 CD1 ILE A 566 -13.433 28.373 2.888 1.00 55.01 C ATOM 0 H ILE A 566 -10.870 31.478 1.638 1.00 40.38 H new ATOM 0 HA ILE A 566 -10.070 30.478 3.981 1.00 45.12 H new ATOM 0 HB ILE A 566 -10.961 28.982 1.754 1.00 42.44 H new ATOM 0 HG12 ILE A 566 -12.504 29.855 3.953 1.00 42.61 H new ATOM 0 HG13 ILE A 566 -12.747 30.255 2.466 1.00 42.61 H new ATOM 0 HG21 ILE A 566 -11.250 27.182 3.254 1.00 37.67 H new ATOM 0 HG22 ILE A 566 -9.732 27.632 3.215 1.00 37.67 H new ATOM 0 HG23 ILE A 566 -10.658 28.074 4.421 1.00 37.67 H new ATOM 0 HD11 ILE A 566 -14.329 28.669 3.114 1.00 55.01 H new ATOM 0 HD12 ILE A 566 -13.419 28.058 1.971 1.00 55.01 H new ATOM 0 HD13 ILE A 566 -13.173 27.651 3.481 1.00 55.01 H new ATOM 1861 N TYR A 567 -7.811 29.490 3.451 1.00 50.57 N ATOM 1862 CA TYR A 567 -6.470 28.988 3.135 1.00 48.23 C ATOM 1863 C TYR A 567 -6.367 27.538 3.585 1.00 46.55 C ATOM 1864 O TYR A 567 -6.551 27.253 4.765 1.00 40.84 O ATOM 1865 CB TYR A 567 -5.400 29.821 3.853 1.00 52.29 C ATOM 1866 CG TYR A 567 -5.172 31.192 3.250 1.00 56.35 C ATOM 1867 CD1 TYR A 567 -6.084 32.226 3.458 1.00 52.52 C ATOM 1868 CD2 TYR A 567 -4.043 31.458 2.467 1.00 58.02 C ATOM 1869 CE1 TYR A 567 -5.882 33.482 2.900 1.00 57.44 C ATOM 1870 CE2 TYR A 567 -3.831 32.716 1.914 1.00 57.71 C ATOM 1871 CZ TYR A 567 -4.754 33.724 2.135 1.00 55.12 C ATOM 1872 OH TYR A 567 -4.561 34.973 1.596 1.00 66.48 O ATOM 0 H TYR A 567 -7.991 29.483 4.292 1.00 50.57 H new ATOM 0 HA TYR A 567 -6.324 29.054 2.178 1.00 48.23 H new ATOM 0 HB2 TYR A 567 -5.656 29.926 4.783 1.00 52.29 H new ATOM 0 HB3 TYR A 567 -4.563 29.331 3.843 1.00 52.29 H new ATOM 0 HD1 TYR A 567 -6.839 32.072 3.978 1.00 52.52 H new ATOM 0 HD2 TYR A 567 -3.424 30.781 2.314 1.00 58.02 H new ATOM 0 HE1 TYR A 567 -6.504 34.159 3.040 1.00 57.44 H new ATOM 0 HE2 TYR A 567 -3.074 32.879 1.399 1.00 57.71 H new ATOM 0 HH TYR A 567 -3.843 34.982 1.159 1.00 66.48 H new ATOM 1873 N VAL A 568 -6.091 26.633 2.645 1.00 50.05 N ATOM 1874 CA VAL A 568 -5.795 25.234 2.966 1.00 46.44 C ATOM 1875 C VAL A 568 -4.285 25.017 2.875 1.00 47.39 C ATOM 1876 O VAL A 568 -3.634 25.571 1.991 1.00 50.10 O ATOM 1877 CB VAL A 568 -6.573 24.256 2.063 1.00 44.55 C ATOM 1878 CG1 VAL A 568 -8.056 24.578 2.125 1.00 42.13 C ATOM 1879 CG2 VAL A 568 -6.081 24.297 0.623 1.00 36.89 C ATOM 0 H VAL A 568 -6.070 26.812 1.804 1.00 50.05 H new ATOM 0 HA VAL A 568 -6.090 25.047 3.871 1.00 46.44 H new ATOM 0 HB VAL A 568 -6.420 23.356 2.392 1.00 44.55 H new ATOM 0 HG11 VAL A 568 -8.545 23.962 1.557 1.00 42.13 H new ATOM 0 HG12 VAL A 568 -8.368 24.491 3.039 1.00 42.13 H new ATOM 0 HG13 VAL A 568 -8.203 25.487 1.819 1.00 42.13 H new ATOM 0 HG21 VAL A 568 -6.593 23.670 0.088 1.00 36.89 H new ATOM 0 HG22 VAL A 568 -6.194 25.193 0.268 1.00 36.89 H new ATOM 0 HG23 VAL A 568 -5.142 24.054 0.595 1.00 36.89 H new ATOM 1880 N LEU A 569 -3.738 24.229 3.801 1.00 48.69 N ATOM 1881 CA LEU A 569 -2.285 24.112 3.997 1.00 47.07 C ATOM 1882 C LEU A 569 -1.820 22.657 4.105 1.00 54.12 C ATOM 1883 O LEU A 569 -2.092 21.982 5.108 1.00 56.65 O ATOM 1884 CB LEU A 569 -1.854 24.858 5.272 1.00 43.94 C ATOM 1885 CG LEU A 569 -1.759 26.384 5.223 1.00 43.35 C ATOM 1886 CD1 LEU A 569 -3.141 27.014 5.236 1.00 49.61 C ATOM 1887 CD2 LEU A 569 -0.939 26.904 6.393 1.00 40.97 C ATOM 0 H LEU A 569 -4.200 23.742 4.339 1.00 48.69 H new ATOM 0 HA LEU A 569 -1.871 24.507 3.213 1.00 47.07 H new ATOM 0 HB2 LEU A 569 -2.477 24.623 5.977 1.00 43.94 H new ATOM 0 HB3 LEU A 569 -0.985 24.516 5.535 1.00 43.94 H new ATOM 0 HG LEU A 569 -1.317 26.630 4.395 1.00 43.35 H new ATOM 0 HD11 LEU A 569 -3.057 27.980 5.204 1.00 49.61 H new ATOM 0 HD12 LEU A 569 -3.643 26.708 4.465 1.00 49.61 H new ATOM 0 HD13 LEU A 569 -3.606 26.757 6.047 1.00 49.61 H new ATOM 0 HD21 LEU A 569 -0.888 27.872 6.348 1.00 40.97 H new ATOM 0 HD22 LEU A 569 -1.361 26.641 7.226 1.00 40.97 H new ATOM 0 HD23 LEU A 569 -0.044 26.531 6.352 1.00 40.97 H new ATOM 1888 N GLY A 570 -1.103 22.192 3.081 1.00 57.31 N ATOM 1889 CA GLY A 570 -0.395 20.915 3.136 1.00 49.94 C ATOM 1890 C GLY A 570 -1.321 19.721 3.081 1.00 39.94 C ATOM 1891 O GLY A 570 -2.371 19.786 2.456 1.00 40.43 O ATOM 0 H GLY A 570 -1.014 22.610 2.335 1.00 57.31 H new ATOM 0 HA2 GLY A 570 0.231 20.866 2.397 1.00 49.94 H new ATOM 0 HA3 GLY A 570 0.127 20.876 3.953 1.00 49.94 H new ATOM 1892 N GLY A 571 -0.914 18.631 3.725 1.00 36.92 N ATOM 1893 CA GLY A 571 -1.727 17.417 3.829 1.00 41.32 C ATOM 1894 C GLY A 571 -1.096 16.208 3.169 1.00 39.02 C ATOM 1895 O GLY A 571 0.096 16.208 2.867 1.00 49.07 O ATOM 0 H GLY A 571 -0.151 18.572 4.118 1.00 36.92 H new ATOM 0 HA2 GLY A 571 -1.883 17.220 4.766 1.00 41.32 H new ATOM 0 HA3 GLY A 571 -2.594 17.581 3.425 1.00 41.32 H new ATOM 1896 N TYR A 572 -1.913 15.175 2.964 1.00 40.87 N ATOM 1897 CA TYR A 572 -1.499 13.914 2.340 1.00 43.74 C ATOM 1898 C TYR A 572 -2.496 13.555 1.234 1.00 50.00 C ATOM 1899 O TYR A 572 -3.695 13.462 1.501 1.00 53.23 O ATOM 1900 CB TYR A 572 -1.441 12.814 3.404 1.00 40.01 C ATOM 1901 CG TYR A 572 -1.011 11.454 2.904 1.00 45.50 C ATOM 1902 CD1 TYR A 572 0.269 11.252 2.388 1.00 59.58 C ATOM 1903 CD2 TYR A 572 -1.875 10.357 2.966 1.00 51.82 C ATOM 1904 CE1 TYR A 572 0.673 10.000 1.934 1.00 62.02 C ATOM 1905 CE2 TYR A 572 -1.481 9.103 2.512 1.00 52.23 C ATOM 1906 CZ TYR A 572 -0.208 8.928 1.999 1.00 54.52 C ATOM 1907 OH TYR A 572 0.191 7.692 1.547 1.00 57.39 O ATOM 0 H TYR A 572 -2.743 15.187 3.189 1.00 40.87 H new ATOM 0 HA TYR A 572 -0.617 14.005 1.948 1.00 43.74 H new ATOM 0 HB2 TYR A 572 -0.830 13.093 4.104 1.00 40.01 H new ATOM 0 HB3 TYR A 572 -2.318 12.731 3.810 1.00 40.01 H new ATOM 0 HD1 TYR A 572 0.863 11.966 2.347 1.00 59.58 H new ATOM 0 HD2 TYR A 572 -2.729 10.468 3.317 1.00 51.82 H new ATOM 0 HE1 TYR A 572 1.528 9.882 1.589 1.00 62.02 H new ATOM 0 HE2 TYR A 572 -2.071 8.385 2.553 1.00 52.23 H new ATOM 0 HH TYR A 572 -0.142 7.550 0.789 1.00 57.39 H new ATOM 1908 N ASP A 573 -1.997 13.367 0.006 1.00 48.96 N ATOM 1909 CA ASP A 573 -2.838 13.054 -1.160 1.00 43.85 C ATOM 1910 C ASP A 573 -2.840 11.567 -1.548 1.00 48.80 C ATOM 1911 O ASP A 573 -3.193 11.230 -2.681 1.00 54.86 O ATOM 1912 CB ASP A 573 -2.452 13.943 -2.363 1.00 50.61 C ATOM 1913 CG ASP A 573 -1.140 13.536 -3.040 1.00 52.73 C ATOM 1914 OD1 ASP A 573 -0.339 12.760 -2.470 1.00 52.18 O ATOM 1915 OD2 ASP A 573 -0.910 14.016 -4.168 1.00 67.38 O ATOM 0 H ASP A 573 -1.158 13.418 -0.175 1.00 48.96 H new ATOM 0 HA ASP A 573 -3.749 13.253 -0.895 1.00 43.85 H new ATOM 0 HB2 ASP A 573 -3.167 13.913 -3.018 1.00 50.61 H new ATOM 0 HB3 ASP A 573 -2.380 14.863 -2.064 1.00 50.61 H new ATOM 1916 N GLY A 574 -2.481 10.688 -0.609 1.00 49.87 N ATOM 1917 CA GLY A 574 -2.410 9.243 -0.860 1.00 55.12 C ATOM 1918 C GLY A 574 -1.033 8.741 -1.275 1.00 60.44 C ATOM 1919 O GLY A 574 -0.661 7.616 -0.940 1.00 69.65 O ATOM 0 H GLY A 574 -2.271 10.913 0.194 1.00 49.87 H new ATOM 0 HA2 GLY A 574 -2.685 8.773 -0.057 1.00 55.12 H new ATOM 0 HA3 GLY A 574 -3.048 9.015 -1.554 1.00 55.12 H new ATOM 1920 N HIS A 575 -0.287 9.571 -2.004 1.00 52.14 N ATOM 1921 CA HIS A 575 1.043 9.232 -2.507 1.00 53.73 C ATOM 1922 C HIS A 575 2.108 9.955 -1.735 1.00 57.74 C ATOM 1923 O HIS A 575 2.995 9.326 -1.153 1.00 61.95 O ATOM 1924 CB HIS A 575 1.133 9.585 -3.991 1.00 55.30 C ATOM 1925 CG HIS A 575 -0.047 9.095 -4.799 1.00 63.73 C ATOM 1926 ND1 HIS A 575 -0.230 7.794 -5.097 1.00 67.15 N ATOM 1927 CD2 HIS A 575 -1.131 9.781 -5.346 1.00 56.05 C ATOM 1928 CE1 HIS A 575 -1.368 7.653 -5.807 1.00 58.19 C ATOM 1929 NE2 HIS A 575 -1.917 8.870 -5.959 1.00 57.08 N ATOM 0 H HIS A 575 -0.545 10.361 -2.224 1.00 52.14 H new ATOM 0 HA HIS A 575 1.186 8.279 -2.393 1.00 53.73 H new ATOM 0 HB2 HIS A 575 1.202 10.548 -4.084 1.00 55.30 H new ATOM 0 HB3 HIS A 575 1.947 9.206 -4.358 1.00 55.30 H new ATOM 0 HD2 HIS A 575 -1.284 10.697 -5.298 1.00 56.05 H new ATOM 0 HE1 HIS A 575 -1.712 6.853 -6.134 1.00 58.19 H new ATOM 0 HE2 HIS A 575 -2.649 9.041 -6.378 1.00 57.08 H new ATOM 1930 N THR A 576 1.996 11.281 -1.693 1.00 57.36 N ATOM 1931 CA THR A 576 3.046 12.165 -1.192 1.00 54.76 C ATOM 1932 C THR A 576 2.520 13.164 -0.156 1.00 48.46 C ATOM 1933 O THR A 576 1.309 13.280 0.039 1.00 50.00 O ATOM 1934 CB THR A 576 3.658 12.940 -2.365 1.00 56.41 C ATOM 1935 OG1 THR A 576 4.769 13.714 -1.902 1.00 82.09 O ATOM 1936 CG2 THR A 576 2.607 13.846 -3.022 1.00 45.45 C ATOM 0 H THR A 576 1.294 11.700 -1.960 1.00 57.36 H new ATOM 0 HA THR A 576 3.712 11.610 -0.758 1.00 54.76 H new ATOM 0 HB THR A 576 3.968 12.308 -3.032 1.00 56.41 H new ATOM 0 HG1 THR A 576 5.104 14.137 -2.546 1.00 82.09 H new ATOM 0 HG21 THR A 576 3.011 14.328 -3.761 1.00 45.45 H new ATOM 0 HG22 THR A 576 1.874 13.304 -3.353 1.00 45.45 H new ATOM 0 HG23 THR A 576 2.271 14.479 -2.368 1.00 45.45 H new ATOM 1937 N PHE A 577 3.441 13.881 0.495 1.00 45.04 N ATOM 1938 CA PHE A 577 3.102 14.916 1.492 1.00 40.42 C ATOM 1939 C PHE A 577 3.149 16.294 0.856 1.00 39.37 C ATOM 1940 O PHE A 577 4.192 16.716 0.365 1.00 44.96 O ATOM 1941 CB PHE A 577 4.061 14.864 2.677 1.00 39.11 C ATOM 1942 CG PHE A 577 3.912 13.628 3.494 1.00 40.94 C ATOM 1943 CD1 PHE A 577 4.514 12.442 3.092 1.00 43.08 C ATOM 1944 CD2 PHE A 577 3.132 13.630 4.643 1.00 48.49 C ATOM 1945 CE1 PHE A 577 4.364 11.281 3.835 1.00 50.56 C ATOM 1946 CE2 PHE A 577 2.972 12.472 5.392 1.00 56.01 C ATOM 1947 CZ PHE A 577 3.592 11.296 4.989 1.00 57.99 C ATOM 0 H PHE A 577 4.287 13.783 0.373 1.00 45.04 H new ATOM 0 HA PHE A 577 2.203 14.742 1.813 1.00 40.42 H new ATOM 0 HB2 PHE A 577 4.973 14.922 2.351 1.00 39.11 H new ATOM 0 HB3 PHE A 577 3.912 15.639 3.242 1.00 39.11 H new ATOM 0 HD1 PHE A 577 5.024 12.427 2.315 1.00 43.08 H new ATOM 0 HD2 PHE A 577 2.713 14.415 4.913 1.00 48.49 H new ATOM 0 HE1 PHE A 577 4.779 10.495 3.561 1.00 50.56 H new ATOM 0 HE2 PHE A 577 2.451 12.484 6.162 1.00 56.01 H new ATOM 0 HZ PHE A 577 3.490 10.520 5.491 1.00 57.99 H new ATOM 1948 N LEU A 578 2.020 16.997 0.877 1.00 45.29 N ATOM 1949 CA LEU A 578 1.894 18.279 0.189 1.00 44.87 C ATOM 1950 C LEU A 578 2.553 19.415 0.980 1.00 40.75 C ATOM 1951 O LEU A 578 2.504 19.432 2.204 1.00 55.73 O ATOM 1952 CB LEU A 578 0.415 18.608 -0.074 1.00 43.87 C ATOM 1953 CG LEU A 578 -0.472 17.562 -0.772 1.00 49.53 C ATOM 1954 CD1 LEU A 578 -1.784 18.185 -1.221 1.00 43.30 C ATOM 1955 CD2 LEU A 578 0.211 16.907 -1.965 1.00 57.23 C ATOM 0 H LEU A 578 1.308 16.746 1.289 1.00 45.29 H new ATOM 0 HA LEU A 578 2.357 18.199 -0.659 1.00 44.87 H new ATOM 0 HB2 LEU A 578 0.005 18.815 0.780 1.00 43.87 H new ATOM 0 HB3 LEU A 578 0.386 19.418 -0.607 1.00 43.87 H new ATOM 0 HG LEU A 578 -0.642 16.869 -0.115 1.00 49.53 H new ATOM 0 HD11 LEU A 578 -2.329 17.512 -1.658 1.00 43.30 H new ATOM 0 HD12 LEU A 578 -2.258 18.533 -0.450 1.00 43.30 H new ATOM 0 HD13 LEU A 578 -1.603 18.908 -1.842 1.00 43.30 H new ATOM 0 HD21 LEU A 578 -0.389 16.259 -2.366 1.00 57.23 H new ATOM 0 HD22 LEU A 578 0.439 17.585 -2.620 1.00 57.23 H new ATOM 0 HD23 LEU A 578 1.019 16.459 -1.670 1.00 57.23 H new ATOM 1956 N ASP A 579 3.207 20.324 0.260 1.00 44.05 N ATOM 1957 CA ASP A 579 3.575 21.651 0.768 1.00 49.82 C ATOM 1958 C ASP A 579 2.748 22.769 0.100 1.00 55.39 C ATOM 1959 O ASP A 579 2.927 23.943 0.415 1.00 60.42 O ATOM 1960 CB ASP A 579 5.084 21.916 0.590 1.00 59.42 C ATOM 1961 CG ASP A 579 5.522 21.988 -0.871 1.00 52.20 C ATOM 1962 OD1 ASP A 579 4.740 21.602 -1.767 1.00 65.06 O ATOM 1963 OD2 ASP A 579 6.669 22.423 -1.118 1.00 44.22 O ATOM 0 H ASP A 579 3.455 20.187 -0.552 1.00 44.05 H new ATOM 0 HA ASP A 579 3.372 21.659 1.716 1.00 49.82 H new ATOM 0 HB2 ASP A 579 5.313 22.750 1.030 1.00 59.42 H new ATOM 0 HB3 ASP A 579 5.583 21.214 1.036 1.00 59.42 H new ATOM 1964 N SER A 580 1.865 22.397 -0.829 1.00 45.61 N ATOM 1965 CA SER A 580 0.922 23.328 -1.458 1.00 44.02 C ATOM 1966 C SER A 580 0.018 24.056 -0.453 1.00 45.57 C ATOM 1967 O SER A 580 -0.528 23.434 0.463 1.00 45.06 O ATOM 1968 CB SER A 580 0.045 22.562 -2.455 1.00 46.58 C ATOM 1969 OG SER A 580 -1.029 23.347 -2.930 1.00 48.44 O ATOM 0 H SER A 580 1.795 21.589 -1.115 1.00 45.61 H new ATOM 0 HA SER A 580 1.454 24.006 -1.903 1.00 44.02 H new ATOM 0 HB2 SER A 580 0.588 22.271 -3.204 1.00 46.58 H new ATOM 0 HB3 SER A 580 -0.303 21.763 -2.030 1.00 46.58 H new ATOM 0 HG SER A 580 -0.753 24.120 -3.109 1.00 48.44 H new ATOM 1970 N VAL A 581 -0.131 25.368 -0.641 1.00 47.12 N ATOM 1971 CA VAL A 581 -1.091 26.183 0.109 1.00 43.88 C ATOM 1972 C VAL A 581 -2.036 26.869 -0.876 1.00 41.44 C ATOM 1973 O VAL A 581 -1.645 27.837 -1.527 1.00 48.79 O ATOM 1974 CB VAL A 581 -0.379 27.251 0.976 1.00 43.66 C ATOM 1975 CG1 VAL A 581 -1.391 28.163 1.662 1.00 44.36 C ATOM 1976 CG2 VAL A 581 0.518 26.588 2.008 1.00 43.08 C ATOM 0 H VAL A 581 0.328 25.816 -1.214 1.00 47.12 H new ATOM 0 HA VAL A 581 -1.587 25.601 0.706 1.00 43.88 H new ATOM 0 HB VAL A 581 0.170 27.795 0.390 1.00 43.66 H new ATOM 0 HG11 VAL A 581 -0.922 28.822 2.198 1.00 44.36 H new ATOM 0 HG12 VAL A 581 -1.927 28.614 0.991 1.00 44.36 H new ATOM 0 HG13 VAL A 581 -1.969 27.634 2.234 1.00 44.36 H new ATOM 0 HG21 VAL A 581 0.956 27.269 2.542 1.00 43.08 H new ATOM 0 HG22 VAL A 581 -0.017 26.020 2.585 1.00 43.08 H new ATOM 0 HG23 VAL A 581 1.188 26.051 1.557 1.00 43.08 H new ATOM 1977 N GLU A 582 -3.267 26.367 -0.993 1.00 44.73 N ATOM 1978 CA GLU A 582 -4.278 26.975 -1.879 1.00 45.80 C ATOM 1979 C GLU A 582 -5.166 27.969 -1.133 1.00 46.95 C ATOM 1980 O GLU A 582 -5.370 27.847 0.079 1.00 49.84 O ATOM 1981 CB GLU A 582 -5.163 25.917 -2.530 1.00 50.17 C ATOM 1982 CG GLU A 582 -4.445 24.955 -3.459 1.00 48.56 C ATOM 1983 CD GLU A 582 -5.419 24.117 -4.264 1.00 47.02 C ATOM 1984 OE1 GLU A 582 -6.214 24.706 -5.028 1.00 49.14 O ATOM 1985 OE2 GLU A 582 -5.398 22.876 -4.132 1.00 53.96 O ATOM 0 H GLU A 582 -3.542 25.672 -0.568 1.00 44.73 H new ATOM 0 HA GLU A 582 -3.783 27.448 -2.567 1.00 45.80 H new ATOM 0 HB2 GLU A 582 -5.598 25.405 -1.830 1.00 50.17 H new ATOM 0 HB3 GLU A 582 -5.863 26.365 -3.030 1.00 50.17 H new ATOM 0 HG2 GLU A 582 -3.873 25.454 -4.062 1.00 48.56 H new ATOM 0 HG3 GLU A 582 -3.870 24.372 -2.939 1.00 48.56 H new ATOM 1986 N CYS A 583 -5.711 28.926 -1.883 1.00 47.53 N ATOM 1987 CA CYS A 583 -6.513 30.024 -1.344 1.00 49.83 C ATOM 1988 C CYS A 583 -7.840 30.177 -2.092 1.00 56.64 C ATOM 1989 O CYS A 583 -7.839 30.377 -3.308 1.00 68.26 O ATOM 1990 CB CYS A 583 -5.729 31.324 -1.464 1.00 49.55 C ATOM 1991 SG CYS A 583 -6.660 32.808 -1.031 1.00 63.39 S ATOM 0 H CYS A 583 -5.623 28.955 -2.738 1.00 47.53 H new ATOM 0 HA CYS A 583 -6.708 29.823 -0.415 1.00 49.83 H new ATOM 0 HB2 CYS A 583 -4.947 31.270 -0.893 1.00 49.55 H new ATOM 0 HB3 CYS A 583 -5.409 31.412 -2.376 1.00 49.55 H new ATOM 0 HG CYS A 583 -6.214 33.281 -0.022 1.00 63.39 H new ATOM 1992 N TYR A 584 -8.954 30.121 -1.357 1.00 58.65 N ATOM 1993 CA TYR A 584 -10.300 30.270 -1.929 1.00 57.43 C ATOM 1994 C TYR A 584 -10.827 31.702 -1.821 1.00 53.15 C ATOM 1995 O TYR A 584 -10.876 32.252 -0.726 1.00 60.69 O ATOM 1996 CB TYR A 584 -11.268 29.349 -1.199 1.00 52.60 C ATOM 1997 CG TYR A 584 -12.679 29.367 -1.746 1.00 56.20 C ATOM 1998 CD1 TYR A 584 -12.967 28.842 -3.005 1.00 53.93 C ATOM 1999 CD2 TYR A 584 -13.732 29.906 -1.001 1.00 56.08 C ATOM 2000 CE1 TYR A 584 -14.262 28.855 -3.509 1.00 52.91 C ATOM 2001 CE2 TYR A 584 -15.028 29.918 -1.493 1.00 57.99 C ATOM 2002 CZ TYR A 584 -15.289 29.396 -2.746 1.00 54.74 C ATOM 2003 OH TYR A 584 -16.573 29.412 -3.226 1.00 59.43 O ATOM 0 H TYR A 584 -8.951 29.995 -0.506 1.00 58.65 H new ATOM 0 HA TYR A 584 -10.235 30.040 -2.869 1.00 57.43 H new ATOM 0 HB2 TYR A 584 -10.928 28.442 -1.241 1.00 52.60 H new ATOM 0 HB3 TYR A 584 -11.292 29.600 -0.262 1.00 52.60 H new ATOM 0 HD1 TYR A 584 -12.281 28.477 -3.516 1.00 53.93 H new ATOM 0 HD2 TYR A 584 -13.560 30.263 -0.160 1.00 56.08 H new ATOM 0 HE1 TYR A 584 -14.440 28.504 -4.352 1.00 52.91 H new ATOM 0 HE2 TYR A 584 -15.718 30.275 -0.983 1.00 57.99 H new ATOM 0 HH TYR A 584 -16.565 29.260 -4.052 1.00 59.43 H new ATOM 2004 N ASP A 585 -11.232 32.282 -2.952 1.00 51.29 N ATOM 2005 CA ASP A 585 -11.934 33.573 -2.991 1.00 51.89 C ATOM 2006 C ASP A 585 -13.430 33.269 -3.127 1.00 53.15 C ATOM 2007 O ASP A 585 -13.828 32.635 -4.103 1.00 60.85 O ATOM 2008 CB ASP A 585 -11.441 34.399 -4.188 1.00 57.28 C ATOM 2009 CG ASP A 585 -12.136 35.757 -4.319 1.00 68.48 C ATOM 2010 OD1 ASP A 585 -12.573 36.348 -3.306 1.00 62.51 O ATOM 2011 OD2 ASP A 585 -12.232 36.244 -5.464 1.00 83.08 O ATOM 0 H ASP A 585 -11.106 31.935 -3.729 1.00 51.29 H new ATOM 0 HA ASP A 585 -11.764 34.088 -2.187 1.00 51.89 H new ATOM 0 HB2 ASP A 585 -10.485 34.540 -4.103 1.00 57.28 H new ATOM 0 HB3 ASP A 585 -11.582 33.891 -5.002 1.00 57.28 H new ATOM 2012 N PRO A 586 -14.261 33.695 -2.152 1.00 58.05 N ATOM 2013 CA PRO A 586 -15.692 33.357 -2.237 1.00 60.67 C ATOM 2014 C PRO A 586 -16.493 34.140 -3.296 1.00 70.35 C ATOM 2015 O PRO A 586 -17.549 33.664 -3.722 1.00 72.23 O ATOM 2016 CB PRO A 586 -16.206 33.637 -0.818 1.00 55.04 C ATOM 2017 CG PRO A 586 -15.275 34.650 -0.260 1.00 51.06 C ATOM 2018 CD PRO A 586 -13.940 34.431 -0.913 1.00 52.39 C ATOM 0 HA PRO A 586 -15.809 32.440 -2.531 1.00 60.67 H new ATOM 0 HB2 PRO A 586 -17.117 33.970 -0.835 1.00 55.04 H new ATOM 0 HB3 PRO A 586 -16.209 32.830 -0.280 1.00 55.04 H new ATOM 0 HG2 PRO A 586 -15.599 35.547 -0.436 1.00 51.06 H new ATOM 0 HG3 PRO A 586 -15.205 34.557 0.703 1.00 51.06 H new ATOM 0 HD2 PRO A 586 -13.497 35.272 -1.105 1.00 52.39 H new ATOM 0 HD3 PRO A 586 -13.345 33.921 -0.341 1.00 52.39 H new ATOM 2019 N ASP A 587 -15.992 35.303 -3.721 1.00 72.70 N ATOM 2020 CA ASP A 587 -16.681 36.144 -4.709 1.00 71.48 C ATOM 2021 C ASP A 587 -16.589 35.561 -6.118 1.00 77.44 C ATOM 2022 O ASP A 587 -17.605 35.458 -6.806 1.00 80.92 O ATOM 2023 CB ASP A 587 -16.121 37.576 -4.702 1.00 69.93 C ATOM 2024 CG ASP A 587 -16.379 38.315 -3.386 1.00 74.05 C ATOM 2025 OD1 ASP A 587 -17.236 37.880 -2.583 1.00 74.48 O ATOM 2026 OD2 ASP A 587 -15.718 39.353 -3.157 1.00 72.21 O ATOM 0 H ASP A 587 -15.244 35.627 -3.446 1.00 72.70 H new ATOM 0 HA ASP A 587 -17.616 36.168 -4.452 1.00 71.48 H new ATOM 0 HB2 ASP A 587 -15.166 37.545 -4.867 1.00 69.93 H new ATOM 0 HB3 ASP A 587 -16.519 38.077 -5.431 1.00 69.93 H new ATOM 2027 N THR A 588 -15.377 35.200 -6.544 1.00 73.92 N ATOM 2028 CA THR A 588 -15.162 34.551 -7.849 1.00 65.60 C ATOM 2029 C THR A 588 -15.442 33.046 -7.836 1.00 66.63 C ATOM 2030 O THR A 588 -15.580 32.452 -8.905 1.00 76.38 O ATOM 2031 CB THR A 588 -13.720 34.749 -8.368 1.00 75.33 C ATOM 2032 OG1 THR A 588 -12.787 34.417 -7.331 1.00 81.57 O ATOM 2033 CG2 THR A 588 -13.497 36.188 -8.829 1.00 66.21 C ATOM 0 H THR A 588 -14.657 35.322 -6.090 1.00 73.92 H new ATOM 0 HA THR A 588 -15.798 34.987 -8.437 1.00 65.60 H new ATOM 0 HB THR A 588 -13.583 34.164 -9.129 1.00 75.33 H new ATOM 0 HG1 THR A 588 -12.689 35.077 -6.820 1.00 81.57 H new ATOM 0 HG21 THR A 588 -12.587 36.288 -9.150 1.00 66.21 H new ATOM 0 HG22 THR A 588 -14.117 36.398 -9.545 1.00 66.21 H new ATOM 0 HG23 THR A 588 -13.645 36.793 -8.085 1.00 66.21 H new ATOM 2034 N ASP A 589 -15.521 32.438 -6.647 1.00 58.85 N ATOM 2035 CA ASP A 589 -15.658 30.982 -6.497 1.00 57.84 C ATOM 2036 C ASP A 589 -14.529 30.244 -7.234 1.00 56.55 C ATOM 2037 O ASP A 589 -14.771 29.283 -7.970 1.00 70.02 O ATOM 2038 CB ASP A 589 -17.052 30.513 -6.966 1.00 60.56 C ATOM 2039 CG ASP A 589 -17.364 29.057 -6.594 1.00 61.45 C ATOM 2040 OD1 ASP A 589 -16.716 28.487 -5.691 1.00 66.69 O ATOM 2041 OD2 ASP A 589 -18.275 28.477 -7.219 1.00 71.04 O ATOM 0 H ASP A 589 -15.496 32.862 -5.899 1.00 58.85 H new ATOM 0 HA ASP A 589 -15.578 30.762 -5.556 1.00 57.84 H new ATOM 0 HB2 ASP A 589 -17.728 31.091 -6.578 1.00 60.56 H new ATOM 0 HB3 ASP A 589 -17.112 30.614 -7.929 1.00 60.56 H new ATOM 2042 N THR A 590 -13.297 30.713 -7.031 1.00 55.76 N ATOM 2043 CA THR A 590 -12.108 30.133 -7.666 1.00 62.09 C ATOM 2044 C THR A 590 -10.997 29.906 -6.640 1.00 61.25 C ATOM 2045 O THR A 590 -10.699 30.796 -5.837 1.00 60.57 O ATOM 2046 CB THR A 590 -11.570 31.043 -8.795 1.00 72.45 C ATOM 2047 OG1 THR A 590 -11.321 32.362 -8.286 1.00 72.79 O ATOM 2048 CG2 THR A 590 -12.566 31.126 -9.948 1.00 65.53 C ATOM 0 H THR A 590 -13.125 31.381 -6.518 1.00 55.76 H new ATOM 0 HA THR A 590 -12.377 29.282 -8.047 1.00 62.09 H new ATOM 0 HB THR A 590 -10.743 30.658 -9.124 1.00 72.45 H new ATOM 0 HG1 THR A 590 -12.043 32.704 -8.027 1.00 72.79 H new ATOM 0 HG21 THR A 590 -12.209 31.700 -10.643 1.00 65.53 H new ATOM 0 HG22 THR A 590 -12.718 30.239 -10.309 1.00 65.53 H new ATOM 0 HG23 THR A 590 -13.405 31.492 -9.626 1.00 65.53 H new ATOM 2049 N TRP A 591 -10.400 28.714 -6.664 1.00 71.52 N ATOM 2050 CA TRP A 591 -9.197 28.427 -5.872 1.00 66.19 C ATOM 2051 C TRP A 591 -7.962 28.803 -6.640 1.00 59.43 C ATOM 2052 O TRP A 591 -7.978 28.850 -7.871 1.00 72.82 O ATOM 2053 CB TRP A 591 -9.118 26.956 -5.497 1.00 63.47 C ATOM 2054 CG TRP A 591 -10.113 26.511 -4.455 1.00 50.44 C ATOM 2055 CD1 TRP A 591 -11.405 26.055 -4.660 1.00 52.38 C ATOM 2056 CD2 TRP A 591 -9.901 26.410 -3.006 1.00 46.07 C ATOM 2057 NE1 TRP A 591 -11.996 25.705 -3.474 1.00 54.09 N ATOM 2058 CE2 TRP A 591 -11.149 25.895 -2.446 1.00 48.48 C ATOM 2059 CE3 TRP A 591 -8.845 26.697 -2.149 1.00 52.31 C ATOM 2060 CZ2 TRP A 591 -11.313 25.687 -1.083 1.00 50.41 C ATOM 2061 CZ3 TRP A 591 -9.016 26.476 -0.776 1.00 49.43 C ATOM 2062 CH2 TRP A 591 -10.222 25.982 -0.258 1.00 47.26 C ATOM 0 H TRP A 591 -10.677 28.051 -7.136 1.00 71.52 H new ATOM 0 HA TRP A 591 -9.253 28.954 -5.060 1.00 66.19 H new ATOM 0 HB2 TRP A 591 -9.249 26.424 -6.298 1.00 63.47 H new ATOM 0 HB3 TRP A 591 -8.224 26.766 -5.173 1.00 63.47 H new ATOM 0 HD1 TRP A 591 -11.817 25.994 -5.492 1.00 52.38 H new ATOM 0 HE1 TRP A 591 -12.798 25.405 -3.397 1.00 54.09 H new ATOM 0 HE3 TRP A 591 -8.042 27.029 -2.480 1.00 52.31 H new ATOM 0 HZ2 TRP A 591 -12.113 25.366 -0.734 1.00 50.41 H new ATOM 0 HZ3 TRP A 591 -8.314 26.661 -0.195 1.00 49.43 H new ATOM 0 HH2 TRP A 591 -10.299 25.847 0.659 1.00 47.26 H new ATOM 2063 N SER A 592 -6.876 29.060 -5.917 1.00 66.06 N ATOM 2064 CA SER A 592 -5.596 29.420 -6.530 1.00 70.17 C ATOM 2065 C SER A 592 -4.428 29.043 -5.630 1.00 61.45 C ATOM 2066 O SER A 592 -4.537 29.113 -4.410 1.00 54.41 O ATOM 2067 CB SER A 592 -5.552 30.920 -6.821 1.00 71.29 C ATOM 2068 OG SER A 592 -5.811 31.666 -5.644 1.00 77.05 O ATOM 0 H SER A 592 -6.858 29.031 -5.058 1.00 66.06 H new ATOM 0 HA SER A 592 -5.517 28.926 -7.361 1.00 70.17 H new ATOM 0 HB2 SER A 592 -4.682 31.160 -7.177 1.00 71.29 H new ATOM 0 HB3 SER A 592 -6.207 31.142 -7.501 1.00 71.29 H new ATOM 0 HG SER A 592 -5.782 32.487 -5.820 1.00 77.05 H new ATOM 2069 N GLU A 593 -3.318 28.645 -6.249 1.00 68.65 N ATOM 2070 CA GLU A 593 -2.073 28.337 -5.543 1.00 74.61 C ATOM 2071 C GLU A 593 -1.418 29.671 -5.181 1.00 60.19 C ATOM 2072 O GLU A 593 -1.116 30.460 -6.078 1.00 70.16 O ATOM 2073 CB GLU A 593 -1.151 27.503 -6.454 1.00 77.83 C ATOM 2074 CG GLU A 593 0.115 26.943 -5.804 1.00 96.37 C ATOM 2075 CD GLU A 593 -0.085 25.603 -5.104 1.00101.45 C ATOM 2076 OE1 GLU A 593 0.353 25.477 -3.941 1.00 97.63 O ATOM 2077 OE2 GLU A 593 -0.663 24.672 -5.712 1.00 87.67 O ATOM 0 H GLU A 593 -3.265 28.545 -7.102 1.00 68.65 H new ATOM 0 HA GLU A 593 -2.242 27.818 -4.741 1.00 74.61 H new ATOM 0 HB2 GLU A 593 -1.665 26.761 -6.810 1.00 77.83 H new ATOM 0 HB3 GLU A 593 -0.888 28.054 -7.208 1.00 77.83 H new ATOM 0 HG2 GLU A 593 0.799 26.843 -6.484 1.00 96.37 H new ATOM 0 HG3 GLU A 593 0.448 27.587 -5.160 1.00 96.37 H new ATOM 2078 N VAL A 594 -1.219 29.926 -3.885 1.00 47.42 N ATOM 2079 CA VAL A 594 -0.640 31.206 -3.415 1.00 56.49 C ATOM 2080 C VAL A 594 0.824 31.104 -3.009 1.00 57.66 C ATOM 2081 O VAL A 594 1.604 32.020 -3.268 1.00 64.71 O ATOM 2082 CB VAL A 594 -1.431 31.844 -2.240 1.00 53.55 C ATOM 2083 CG1 VAL A 594 -2.779 32.343 -2.725 1.00 56.45 C ATOM 2084 CG2 VAL A 594 -1.580 30.887 -1.066 1.00 45.52 C ATOM 0 H VAL A 594 -1.411 29.373 -3.255 1.00 47.42 H new ATOM 0 HA VAL A 594 -0.708 31.780 -4.194 1.00 56.49 H new ATOM 0 HB VAL A 594 -0.921 32.603 -1.915 1.00 53.55 H new ATOM 0 HG11 VAL A 594 -3.264 32.739 -1.984 1.00 56.45 H new ATOM 0 HG12 VAL A 594 -2.648 33.009 -3.418 1.00 56.45 H new ATOM 0 HG13 VAL A 594 -3.289 31.600 -3.084 1.00 56.45 H new ATOM 0 HG21 VAL A 594 -2.078 31.321 -0.356 1.00 45.52 H new ATOM 0 HG22 VAL A 594 -2.056 30.092 -1.354 1.00 45.52 H new ATOM 0 HG23 VAL A 594 -0.702 30.637 -0.739 1.00 45.52 H new ATOM 2085 N THR A 595 1.190 30.011 -2.349 1.00 59.52 N ATOM 2086 CA THR A 595 2.565 29.813 -1.901 1.00 60.47 C ATOM 2087 C THR A 595 2.821 28.338 -1.652 1.00 68.10 C ATOM 2088 O THR A 595 1.950 27.500 -1.894 1.00 79.95 O ATOM 2089 CB THR A 595 2.853 30.615 -0.612 1.00 56.65 C ATOM 2090 OG1 THR A 595 4.246 30.536 -0.281 1.00 52.72 O ATOM 2091 CG2 THR A 595 2.029 30.080 0.547 1.00 57.38 C ATOM 0 H THR A 595 0.655 29.368 -2.149 1.00 59.52 H new ATOM 0 HA THR A 595 3.158 30.133 -2.599 1.00 60.47 H new ATOM 0 HB THR A 595 2.610 31.541 -0.771 1.00 56.65 H new ATOM 0 HG1 THR A 595 4.480 31.238 0.117 1.00 52.72 H new ATOM 0 HG21 THR A 595 2.222 30.594 1.346 1.00 57.38 H new ATOM 0 HG22 THR A 595 1.085 30.155 0.335 1.00 57.38 H new ATOM 0 HG23 THR A 595 2.253 29.149 0.700 1.00 57.38 H new ATOM 2092 N ARG A 596 4.029 28.037 -1.185 1.00 61.82 N ATOM 2093 CA ARG A 596 4.404 26.697 -0.765 1.00 56.35 C ATOM 2094 C ARG A 596 4.871 26.779 0.681 1.00 47.24 C ATOM 2095 O ARG A 596 5.501 27.759 1.075 1.00 54.23 O ATOM 2096 CB ARG A 596 5.538 26.164 -1.646 1.00 67.62 C ATOM 2097 CG ARG A 596 5.311 26.281 -3.154 1.00 70.58 C ATOM 2098 CD ARG A 596 4.767 25.005 -3.785 1.00 78.58 C ATOM 2099 NE ARG A 596 5.698 23.883 -3.646 1.00 89.95 N ATOM 2100 CZ ARG A 596 6.855 23.745 -4.304 1.00 92.74 C ATOM 2101 NH1 ARG A 596 7.267 24.640 -5.208 1.00 95.87 N ATOM 2102 NH2 ARG A 596 7.613 22.676 -4.064 1.00 87.65 N ATOM 0 H ARG A 596 4.660 28.615 -1.103 1.00 61.82 H new ATOM 0 HA ARG A 596 3.648 26.095 -0.848 1.00 56.35 H new ATOM 0 HB2 ARG A 596 6.353 26.639 -1.420 1.00 67.62 H new ATOM 0 HB3 ARG A 596 5.684 25.230 -1.428 1.00 67.62 H new ATOM 0 HG2 ARG A 596 4.692 27.008 -3.326 1.00 70.58 H new ATOM 0 HG3 ARG A 596 6.149 26.514 -3.583 1.00 70.58 H new ATOM 0 HD2 ARG A 596 3.921 24.775 -3.370 1.00 78.58 H new ATOM 0 HD3 ARG A 596 4.588 25.161 -4.726 1.00 78.58 H new ATOM 0 HE ARG A 596 5.483 23.259 -3.094 1.00 89.95 H new ATOM 0 HH11 ARG A 596 6.784 25.330 -5.381 1.00 95.87 H new ATOM 0 HH12 ARG A 596 8.015 24.526 -5.616 1.00 95.87 H new ATOM 0 HH21 ARG A 596 7.356 22.086 -3.493 1.00 87.65 H new ATOM 0 HH22 ARG A 596 8.359 22.575 -4.480 1.00 87.65 H new ATOM 2103 N MET A 597 4.562 25.755 1.470 1.00 48.01 N ATOM 2104 CA MET A 597 5.161 25.596 2.797 1.00 51.94 C ATOM 2105 C MET A 597 6.648 25.302 2.589 1.00 51.36 C ATOM 2106 O MET A 597 7.026 24.790 1.533 1.00 58.16 O ATOM 2107 CB MET A 597 4.508 24.445 3.575 1.00 46.29 C ATOM 2108 CG MET A 597 3.013 24.581 3.812 1.00 47.92 C ATOM 2109 SD MET A 597 2.369 23.303 4.914 1.00 42.80 S ATOM 2110 CE MET A 597 2.593 24.106 6.491 1.00 44.56 C ATOM 0 H MET A 597 4.004 25.136 1.256 1.00 48.01 H new ATOM 0 HA MET A 597 5.028 26.404 3.316 1.00 51.94 H new ATOM 0 HB2 MET A 597 4.670 23.618 3.095 1.00 46.29 H new ATOM 0 HB3 MET A 597 4.950 24.365 4.435 1.00 46.29 H new ATOM 0 HG2 MET A 597 2.827 25.454 4.191 1.00 47.92 H new ATOM 0 HG3 MET A 597 2.548 24.535 2.962 1.00 47.92 H new ATOM 0 HE1 MET A 597 2.183 23.571 7.188 1.00 44.56 H new ATOM 0 HE2 MET A 597 3.541 24.202 6.674 1.00 44.56 H new ATOM 0 HE3 MET A 597 2.178 24.982 6.470 1.00 44.56 H new ATOM 2111 N THR A 598 7.487 25.615 3.577 1.00 43.70 N ATOM 2112 CA THR A 598 8.939 25.381 3.452 1.00 51.08 C ATOM 2113 C THR A 598 9.306 23.898 3.336 1.00 47.63 C ATOM 2114 O THR A 598 10.354 23.570 2.778 1.00 53.31 O ATOM 2115 CB THR A 598 9.756 26.006 4.603 1.00 57.13 C ATOM 2116 OG1 THR A 598 9.343 25.451 5.861 1.00 64.11 O ATOM 2117 CG2 THR A 598 9.596 27.520 4.611 1.00 50.97 C ATOM 0 H THR A 598 7.244 25.962 4.325 1.00 43.70 H new ATOM 0 HA THR A 598 9.175 25.826 2.623 1.00 51.08 H new ATOM 0 HB THR A 598 10.694 25.800 4.465 1.00 57.13 H new ATOM 0 HG1 THR A 598 9.393 26.040 6.457 1.00 64.11 H new ATOM 0 HG21 THR A 598 10.115 27.897 5.339 1.00 50.97 H new ATOM 0 HG22 THR A 598 9.911 27.883 3.768 1.00 50.97 H new ATOM 0 HG23 THR A 598 8.660 27.746 4.731 1.00 50.97 H new ATOM 2118 N SER A 599 8.443 23.023 3.857 1.00 46.03 N ATOM 2119 CA SER A 599 8.564 21.569 3.668 1.00 48.69 C ATOM 2120 C SER A 599 7.191 20.896 3.772 1.00 48.11 C ATOM 2121 O SER A 599 6.355 21.301 4.581 1.00 59.69 O ATOM 2122 CB SER A 599 9.547 20.958 4.675 1.00 48.71 C ATOM 2123 OG SER A 599 8.999 20.890 5.981 1.00 63.72 O ATOM 0 H SER A 599 7.766 23.255 4.333 1.00 46.03 H new ATOM 0 HA SER A 599 8.916 21.411 2.778 1.00 48.69 H new ATOM 0 HB2 SER A 599 9.795 20.067 4.383 1.00 48.71 H new ATOM 0 HB3 SER A 599 10.360 21.487 4.694 1.00 48.71 H new ATOM 0 HG SER A 599 9.562 20.550 6.504 1.00 63.72 H new ATOM 2124 N GLY A 600 6.968 19.877 2.946 1.00 49.23 N ATOM 2125 CA GLY A 600 5.686 19.182 2.883 1.00 46.11 C ATOM 2126 C GLY A 600 5.366 18.443 4.162 1.00 42.41 C ATOM 2127 O GLY A 600 6.247 17.842 4.767 1.00 49.62 O ATOM 0 H GLY A 600 7.560 19.568 2.404 1.00 49.23 H new ATOM 0 HA2 GLY A 600 4.982 19.824 2.699 1.00 46.11 H new ATOM 0 HA3 GLY A 600 5.698 18.554 2.144 1.00 46.11 H new ATOM 2128 N ARG A 601 4.104 18.507 4.581 1.00 48.18 N ATOM 2129 CA ARG A 601 3.682 17.934 5.862 1.00 43.30 C ATOM 2130 C ARG A 601 2.169 17.749 5.934 1.00 45.42 C ATOM 2131 O ARG A 601 1.424 18.342 5.147 1.00 51.53 O ATOM 2132 CB ARG A 601 4.154 18.818 7.025 1.00 41.34 C ATOM 2133 CG ARG A 601 3.631 20.245 6.956 1.00 43.55 C ATOM 2134 CD ARG A 601 4.399 21.193 7.854 1.00 44.85 C ATOM 2135 NE ARG A 601 5.696 21.573 7.286 1.00 41.54 N ATOM 2136 CZ ARG A 601 6.358 22.710 7.535 1.00 43.84 C ATOM 2137 NH1 ARG A 601 5.879 23.651 8.353 1.00 46.05 N ATOM 2138 NH2 ARG A 601 7.531 22.918 6.950 1.00 47.10 N ATOM 0 H ARG A 601 3.471 18.881 4.135 1.00 48.18 H new ATOM 0 HA ARG A 601 4.092 17.058 5.934 1.00 43.30 H new ATOM 0 HB2 ARG A 601 3.870 18.418 7.862 1.00 41.34 H new ATOM 0 HB3 ARG A 601 5.124 18.837 7.034 1.00 41.34 H new ATOM 0 HG2 ARG A 601 3.682 20.560 6.040 1.00 43.55 H new ATOM 0 HG3 ARG A 601 2.694 20.255 7.208 1.00 43.55 H new ATOM 0 HD2 ARG A 601 3.869 21.991 8.006 1.00 44.85 H new ATOM 0 HD3 ARG A 601 4.537 20.775 8.718 1.00 44.85 H new ATOM 0 HE ARG A 601 6.065 21.016 6.744 1.00 41.54 H new ATOM 0 HH11 ARG A 601 5.120 23.538 8.741 1.00 46.05 H new ATOM 0 HH12 ARG A 601 6.330 24.370 8.492 1.00 46.05 H new ATOM 0 HH21 ARG A 601 7.857 22.326 6.418 1.00 47.10 H new ATOM 0 HH22 ARG A 601 7.965 23.645 7.103 1.00 47.10 H new ATOM 2139 N SER A 602 1.743 16.918 6.884 1.00 41.84 N ATOM 2140 CA SER A 602 0.330 16.637 7.155 1.00 41.40 C ATOM 2141 C SER A 602 0.071 16.710 8.651 1.00 46.58 C ATOM 2142 O SER A 602 0.979 16.483 9.452 1.00 43.46 O ATOM 2143 CB SER A 602 -0.035 15.235 6.674 1.00 38.21 C ATOM 2144 OG SER A 602 0.432 14.246 7.586 1.00 38.00 O ATOM 0 H SER A 602 2.280 16.491 7.402 1.00 41.84 H new ATOM 0 HA SER A 602 -0.207 17.295 6.686 1.00 41.40 H new ATOM 0 HB2 SER A 602 -0.997 15.163 6.578 1.00 38.21 H new ATOM 0 HB3 SER A 602 0.350 15.079 5.797 1.00 38.21 H new ATOM 0 HG SER A 602 0.182 13.487 7.328 1.00 38.00 H new ATOM 2145 N GLY A 603 -1.176 16.988 9.019 1.00 46.10 N ATOM 2146 CA GLY A 603 -1.572 17.041 10.424 1.00 46.84 C ATOM 2147 C GLY A 603 -0.993 18.219 11.188 1.00 47.19 C ATOM 2148 O GLY A 603 -0.650 18.079 12.364 1.00 45.17 O ATOM 0 H GLY A 603 -1.814 17.150 8.465 1.00 46.10 H new ATOM 0 HA2 GLY A 603 -2.540 17.079 10.476 1.00 46.84 H new ATOM 0 HA3 GLY A 603 -1.296 16.219 10.859 1.00 46.84 H new ATOM 2149 N VAL A 604 -0.877 19.368 10.515 1.00 46.11 N ATOM 2150 CA VAL A 604 -0.478 20.621 11.162 1.00 47.09 C ATOM 2151 C VAL A 604 -1.665 21.220 11.912 1.00 49.51 C ATOM 2152 O VAL A 604 -2.821 20.944 11.582 1.00 49.50 O ATOM 2153 CB VAL A 604 0.035 21.690 10.157 1.00 47.25 C ATOM 2154 CG1 VAL A 604 1.220 21.168 9.362 1.00 44.28 C ATOM 2155 CG2 VAL A 604 -1.074 22.171 9.223 1.00 35.57 C ATOM 0 H VAL A 604 -1.027 19.442 9.671 1.00 46.11 H new ATOM 0 HA VAL A 604 0.248 20.394 11.764 1.00 47.09 H new ATOM 0 HB VAL A 604 0.329 22.454 10.677 1.00 47.25 H new ATOM 0 HG11 VAL A 604 1.521 21.852 8.743 1.00 44.28 H new ATOM 0 HG12 VAL A 604 1.942 20.941 9.969 1.00 44.28 H new ATOM 0 HG13 VAL A 604 0.954 20.378 8.866 1.00 44.28 H new ATOM 0 HG21 VAL A 604 -0.718 22.835 8.612 1.00 35.57 H new ATOM 0 HG22 VAL A 604 -1.420 21.419 8.717 1.00 35.57 H new ATOM 0 HG23 VAL A 604 -1.790 22.565 9.746 1.00 35.57 H new ATOM 2156 N GLY A 605 -1.361 22.022 12.928 1.00 49.50 N ATOM 2157 CA GLY A 605 -2.318 22.954 13.512 1.00 51.25 C ATOM 2158 C GLY A 605 -2.187 24.281 12.783 1.00 52.17 C ATOM 2159 O GLY A 605 -1.111 24.598 12.276 1.00 57.28 O ATOM 0 H GLY A 605 -0.586 22.040 13.301 1.00 49.50 H new ATOM 0 HA2 GLY A 605 -3.221 22.609 13.429 1.00 51.25 H new ATOM 0 HA3 GLY A 605 -2.144 23.069 14.459 1.00 51.25 H new ATOM 2160 N VAL A 606 -3.283 25.037 12.707 1.00 48.03 N ATOM 2161 CA VAL A 606 -3.290 26.364 12.076 1.00 47.74 C ATOM 2162 C VAL A 606 -4.213 27.322 12.838 1.00 49.78 C ATOM 2163 O VAL A 606 -5.314 26.937 13.237 1.00 48.24 O ATOM 2164 CB VAL A 606 -3.762 26.302 10.602 1.00 42.64 C ATOM 2165 CG1 VAL A 606 -3.796 27.693 9.985 1.00 42.30 C ATOM 2166 CG2 VAL A 606 -2.868 25.392 9.773 1.00 41.03 C ATOM 0 H VAL A 606 -4.047 24.796 13.020 1.00 48.03 H new ATOM 0 HA VAL A 606 -2.376 26.687 12.101 1.00 47.74 H new ATOM 0 HB VAL A 606 -4.660 25.935 10.601 1.00 42.64 H new ATOM 0 HG11 VAL A 606 -4.094 27.631 9.064 1.00 42.30 H new ATOM 0 HG12 VAL A 606 -4.409 28.254 10.485 1.00 42.30 H new ATOM 0 HG13 VAL A 606 -2.907 28.081 10.012 1.00 42.30 H new ATOM 0 HG21 VAL A 606 -3.186 25.372 8.857 1.00 41.03 H new ATOM 0 HG22 VAL A 606 -1.958 25.728 9.791 1.00 41.03 H new ATOM 0 HG23 VAL A 606 -2.889 24.495 10.141 1.00 41.03 H new ATOM 2167 N ALA A 607 -3.749 28.557 13.040 1.00 42.48 N ATOM 2168 CA ALA A 607 -4.583 29.654 13.548 1.00 41.86 C ATOM 2169 C ALA A 607 -4.105 30.986 12.978 1.00 46.61 C ATOM 2170 O ALA A 607 -3.003 31.064 12.420 1.00 43.17 O ATOM 2171 CB ALA A 607 -4.560 29.688 15.063 1.00 38.72 C ATOM 0 H ALA A 607 -2.934 28.785 12.885 1.00 42.48 H new ATOM 0 HA ALA A 607 -5.497 29.502 13.262 1.00 41.86 H new ATOM 0 HB1 ALA A 607 -5.115 30.418 15.379 1.00 38.72 H new ATOM 0 HB2 ALA A 607 -4.900 28.849 15.411 1.00 38.72 H new ATOM 0 HB3 ALA A 607 -3.649 29.819 15.370 1.00 38.72 H new ATOM 2172 N VAL A 608 -4.935 32.022 13.122 1.00 44.76 N ATOM 2173 CA VAL A 608 -4.631 33.358 12.589 1.00 44.67 C ATOM 2174 C VAL A 608 -4.563 34.427 13.682 1.00 46.84 C ATOM 2175 O VAL A 608 -5.476 34.547 14.497 1.00 49.38 O ATOM 2176 CB VAL A 608 -5.684 33.783 11.553 1.00 43.94 C ATOM 2177 CG1 VAL A 608 -5.467 35.221 11.122 1.00 49.49 C ATOM 2178 CG2 VAL A 608 -5.622 32.868 10.347 1.00 45.82 C ATOM 0 H VAL A 608 -5.690 31.972 13.531 1.00 44.76 H new ATOM 0 HA VAL A 608 -3.757 33.290 12.174 1.00 44.67 H new ATOM 0 HB VAL A 608 -6.561 33.715 11.963 1.00 43.94 H new ATOM 0 HG11 VAL A 608 -6.141 35.469 10.469 1.00 49.49 H new ATOM 0 HG12 VAL A 608 -5.535 35.804 11.894 1.00 49.49 H new ATOM 0 HG13 VAL A 608 -4.586 35.311 10.726 1.00 49.49 H new ATOM 0 HG21 VAL A 608 -6.289 33.142 9.698 1.00 45.82 H new ATOM 0 HG22 VAL A 608 -4.740 32.920 9.946 1.00 45.82 H new ATOM 0 HG23 VAL A 608 -5.797 31.955 10.624 1.00 45.82 H new ATOM 2179 N THR A 609 -3.469 35.188 13.691 1.00 50.48 N ATOM 2180 CA THR A 609 -3.359 36.423 14.471 1.00 42.95 C ATOM 2181 C THR A 609 -2.147 37.209 13.988 1.00 39.54 C ATOM 2182 O THR A 609 -1.875 38.297 14.477 1.00 59.15 O ATOM 2183 CB THR A 609 -3.255 36.169 15.998 1.00 50.39 C ATOM 2184 OG1 THR A 609 -3.368 37.411 16.705 1.00 54.96 O ATOM 2185 CG2 THR A 609 -1.939 35.495 16.366 1.00 50.25 C ATOM 0 H THR A 609 -2.761 35.000 13.240 1.00 50.48 H new ATOM 0 HA THR A 609 -4.174 36.931 14.332 1.00 42.95 H new ATOM 0 HB THR A 609 -3.980 35.576 16.250 1.00 50.39 H new ATOM 0 HG1 THR A 609 -3.085 38.036 16.220 1.00 54.96 H new ATOM 0 HG21 THR A 609 -1.906 35.351 17.325 1.00 50.25 H new ATOM 0 HG22 THR A 609 -1.873 34.642 15.909 1.00 50.25 H new ATOM 0 HG23 THR A 609 -1.199 36.062 16.099 1.00 50.25 H new TER 2186 THR A 609 ATOM 2187 N LEU I 76 0.294 2.112 7.899 1.00 43.23 N ATOM 2188 CA LEU I 76 0.105 3.305 7.013 1.00 67.73 C ATOM 2189 C LEU I 76 -1.346 3.801 7.041 1.00 68.32 C ATOM 2190 O LEU I 76 -2.224 3.223 6.394 1.00 70.55 O ATOM 2191 CB LEU I 76 0.523 3.007 5.561 1.00 64.92 C ATOM 2192 CG LEU I 76 0.630 4.233 4.624 1.00 55.56 C ATOM 2193 CD1 LEU I 76 2.054 4.783 4.594 1.00 46.47 C ATOM 2194 CD2 LEU I 76 0.167 3.903 3.211 1.00 45.99 C ATOM 0 HA LEU I 76 0.680 4.004 7.362 1.00 67.73 H new ATOM 0 HB2 LEU I 76 1.382 2.557 5.576 1.00 64.92 H new ATOM 0 HB3 LEU I 76 -0.116 2.385 5.180 1.00 64.92 H new ATOM 0 HG LEU I 76 0.042 4.915 4.983 1.00 55.56 H new ATOM 0 HD11 LEU I 76 2.093 5.549 4.000 1.00 46.47 H new ATOM 0 HD12 LEU I 76 2.315 5.054 5.488 1.00 46.47 H new ATOM 0 HD13 LEU I 76 2.660 4.096 4.274 1.00 46.47 H new ATOM 0 HD21 LEU I 76 0.247 4.691 2.652 1.00 45.99 H new ATOM 0 HD22 LEU I 76 0.718 3.192 2.848 1.00 45.99 H new ATOM 0 HD23 LEU I 76 -0.759 3.615 3.233 1.00 45.99 H new ATOM 2195 N ASP I 77 -1.571 4.882 7.789 1.00 66.17 N ATOM 2196 CA ASP I 77 -2.873 5.549 7.885 1.00 56.87 C ATOM 2197 C ASP I 77 -3.169 6.218 6.536 1.00 43.92 C ATOM 2198 O ASP I 77 -2.392 7.062 6.101 1.00 44.65 O ATOM 2199 CB ASP I 77 -2.824 6.595 9.013 1.00 59.73 C ATOM 2200 CG ASP I 77 -4.194 7.155 9.396 1.00 56.07 C ATOM 2201 OD1 ASP I 77 -4.246 7.838 10.434 1.00 69.64 O ATOM 2202 OD2 ASP I 77 -5.208 6.942 8.699 1.00 58.34 O ATOM 0 H ASP I 77 -0.960 5.256 8.264 1.00 66.17 H new ATOM 0 HA ASP I 77 -3.575 4.911 8.089 1.00 56.87 H new ATOM 0 HB2 ASP I 77 -2.417 6.194 9.797 1.00 59.73 H new ATOM 0 HB3 ASP I 77 -2.250 7.327 8.739 1.00 59.73 H new ATOM 2203 N PRO I 78 -4.277 5.839 5.861 1.00 45.98 N ATOM 2204 CA PRO I 78 -4.573 6.475 4.555 1.00 52.04 C ATOM 2205 C PRO I 78 -4.907 7.974 4.604 1.00 49.65 C ATOM 2206 O PRO I 78 -4.719 8.673 3.601 1.00 47.33 O ATOM 2207 CB PRO I 78 -5.788 5.687 4.016 1.00 46.75 C ATOM 2208 CG PRO I 78 -5.970 4.518 4.907 1.00 49.31 C ATOM 2209 CD PRO I 78 -5.246 4.776 6.195 1.00 48.18 C ATOM 0 HA PRO I 78 -3.779 6.439 3.998 1.00 52.04 H new ATOM 0 HB2 PRO I 78 -6.583 6.242 4.011 1.00 46.75 H new ATOM 0 HB3 PRO I 78 -5.635 5.402 3.102 1.00 46.75 H new ATOM 0 HG2 PRO I 78 -6.913 4.368 5.076 1.00 49.31 H new ATOM 0 HG3 PRO I 78 -5.627 3.716 4.483 1.00 49.31 H new ATOM 0 HD2 PRO I 78 -5.856 5.060 6.894 1.00 48.18 H new ATOM 0 HD3 PRO I 78 -4.799 3.977 6.516 1.00 48.18 H new ATOM 2210 N GLU I 79 -5.397 8.448 5.750 1.00 48.70 N ATOM 2211 CA GLU I 79 -5.904 9.811 5.885 1.00 43.34 C ATOM 2212 C GLU I 79 -4.769 10.804 6.143 1.00 46.00 C ATOM 2213 O GLU I 79 -4.726 11.868 5.520 1.00 54.81 O ATOM 2214 CB GLU I 79 -6.940 9.889 7.012 1.00 53.62 C ATOM 2215 CG GLU I 79 -8.088 8.882 6.909 1.00 61.65 C ATOM 2216 CD GLU I 79 -9.135 9.049 8.002 1.00 61.54 C ATOM 2217 OE1 GLU I 79 -9.360 10.191 8.446 1.00 63.23 O ATOM 2218 OE2 GLU I 79 -9.747 8.042 8.418 1.00 55.62 O ATOM 0 H GLU I 79 -5.444 7.985 6.473 1.00 48.70 H new ATOM 0 HA GLU I 79 -6.330 10.052 5.048 1.00 43.34 H new ATOM 0 HB2 GLU I 79 -6.487 9.756 7.859 1.00 53.62 H new ATOM 0 HB3 GLU I 79 -7.314 10.784 7.028 1.00 53.62 H new ATOM 0 HG2 GLU I 79 -8.515 8.976 6.043 1.00 61.65 H new ATOM 0 HG3 GLU I 79 -7.726 7.983 6.951 1.00 61.65 H new ATOM 2219 N THR I 80 -3.862 10.456 7.059 1.00 42.66 N ATOM 2220 CA THR I 80 -2.713 11.309 7.407 1.00 40.98 C ATOM 2221 C THR I 80 -1.419 10.952 6.664 1.00 50.78 C ATOM 2222 O THR I 80 -0.570 11.821 6.431 1.00 51.33 O ATOM 2223 CB THR I 80 -2.419 11.258 8.911 1.00 38.38 C ATOM 2224 OG1 THR I 80 -2.131 9.913 9.295 1.00 41.96 O ATOM 2225 CG2 THR I 80 -3.608 11.772 9.713 1.00 45.91 C ATOM 0 H THR I 80 -3.893 9.718 7.499 1.00 42.66 H new ATOM 0 HA THR I 80 -2.982 12.200 7.133 1.00 40.98 H new ATOM 0 HB THR I 80 -1.654 11.825 9.095 1.00 38.38 H new ATOM 0 HG1 THR I 80 -2.841 9.530 9.530 1.00 41.96 H new ATOM 0 HG21 THR I 80 -3.402 11.731 10.660 1.00 45.91 H new ATOM 0 HG22 THR I 80 -3.795 12.690 9.462 1.00 45.91 H new ATOM 0 HG23 THR I 80 -4.385 11.222 9.528 1.00 45.91 H new ATOM 2226 N GLY I 81 -1.269 9.679 6.306 1.00 50.16 N ATOM 2227 CA GLY I 81 -0.032 9.169 5.738 1.00 40.90 C ATOM 2228 C GLY I 81 1.026 8.811 6.767 1.00 40.11 C ATOM 2229 O GLY I 81 2.148 8.477 6.396 1.00 44.06 O ATOM 0 H GLY I 81 -1.887 9.087 6.388 1.00 50.16 H new ATOM 0 HA2 GLY I 81 -0.232 8.382 5.208 1.00 40.90 H new ATOM 0 HA3 GLY I 81 0.332 9.834 5.133 1.00 40.90 H new ATOM 2230 N GLU I 82 0.686 8.855 8.053 1.00 46.20 N ATOM 2231 CA GLU I 82 1.649 8.519 9.108 1.00 52.57 C ATOM 2232 C GLU I 82 1.838 7.009 9.183 1.00 47.45 C ATOM 2233 O GLU I 82 0.876 6.259 9.052 1.00 50.56 O ATOM 2234 CB GLU I 82 1.204 9.073 10.469 1.00 54.38 C ATOM 2235 CG GLU I 82 0.996 10.581 10.441 1.00 54.75 C ATOM 2236 CD GLU I 82 0.920 11.247 11.801 1.00 50.97 C ATOM 2237 OE1 GLU I 82 1.290 10.625 12.823 1.00 45.82 O ATOM 2238 OE2 GLU I 82 0.491 12.423 11.832 1.00 48.87 O ATOM 0 H GLU I 82 -0.095 9.076 8.338 1.00 46.20 H new ATOM 0 HA GLU I 82 2.497 8.933 8.884 1.00 52.57 H new ATOM 0 HB2 GLU I 82 0.379 8.640 10.738 1.00 54.38 H new ATOM 0 HB3 GLU I 82 1.871 8.853 11.139 1.00 54.38 H new ATOM 0 HG2 GLU I 82 1.722 10.984 9.939 1.00 54.75 H new ATOM 0 HG3 GLU I 82 0.177 10.771 9.957 1.00 54.75 H new ATOM 2239 N PHE I 83 3.083 6.578 9.375 1.00 57.49 N ATOM 2240 CA PHE I 83 3.413 5.162 9.530 1.00 64.04 C ATOM 2241 C PHE I 83 3.506 4.866 11.023 1.00 68.21 C ATOM 2242 O PHE I 83 4.442 5.312 11.699 1.00 64.80 O ATOM 2243 CB PHE I 83 4.725 4.822 8.805 1.00 65.12 C ATOM 2244 CG PHE I 83 5.028 3.349 8.758 1.00 57.93 C ATOM 2245 CD1 PHE I 83 4.181 2.474 8.083 1.00 60.80 C ATOM 2246 CD2 PHE I 83 6.161 2.832 9.383 1.00 66.30 C ATOM 2247 CE1 PHE I 83 4.448 1.110 8.040 1.00 71.49 C ATOM 2248 CE2 PHE I 83 6.437 1.469 9.342 1.00 83.93 C ATOM 2249 CZ PHE I 83 5.578 0.606 8.669 1.00 81.38 C ATOM 0 H PHE I 83 3.764 7.102 9.419 1.00 57.49 H new ATOM 0 HA PHE I 83 2.724 4.609 9.129 1.00 64.04 H new ATOM 0 HB2 PHE I 83 4.682 5.164 7.898 1.00 65.12 H new ATOM 0 HB3 PHE I 83 5.457 5.280 9.246 1.00 65.12 H new ATOM 0 HD1 PHE I 83 3.426 2.807 7.655 1.00 60.80 H new ATOM 0 HD2 PHE I 83 6.739 3.405 9.833 1.00 66.30 H new ATOM 0 HE1 PHE I 83 3.870 0.536 7.590 1.00 71.49 H new ATOM 0 HE2 PHE I 83 7.195 1.135 9.764 1.00 83.93 H new ATOM 0 HZ PHE I 83 5.760 -0.306 8.641 1.00 81.38 H new ATOM 2250 N LEU I 84 2.513 4.140 11.534 1.00 77.39 N ATOM 2251 CA LEU I 84 2.428 3.816 12.959 1.00 87.63 C ATOM 2252 C LEU I 84 3.125 2.486 13.209 1.00 92.37 C ATOM 2253 O LEU I 84 3.846 2.323 14.194 1.00 96.17 O ATOM 2254 CB LEU I 84 0.960 3.757 13.404 1.00 87.99 C ATOM 2255 CG LEU I 84 0.623 3.464 14.873 1.00 80.91 C ATOM 2256 CD1 LEU I 84 1.413 4.347 15.830 1.00 69.27 C ATOM 2257 CD2 LEU I 84 -0.878 3.621 15.096 1.00 63.85 C ATOM 2258 OXT LEU I 84 2.994 1.551 12.419 1.00 98.21 O ATOM 0 H LEU I 84 1.868 3.820 11.064 1.00 77.39 H new ATOM 0 HA LEU I 84 2.868 4.507 13.478 1.00 87.63 H new ATOM 0 HB2 LEU I 84 0.554 4.608 13.177 1.00 87.99 H new ATOM 0 HB3 LEU I 84 0.521 3.081 12.865 1.00 87.99 H new ATOM 0 HG LEU I 84 0.881 2.549 15.064 1.00 80.91 H new ATOM 0 HD11 LEU I 84 1.171 4.131 16.744 1.00 69.27 H new ATOM 0 HD12 LEU I 84 2.362 4.195 15.702 1.00 69.27 H new ATOM 0 HD13 LEU I 84 1.209 5.279 15.654 1.00 69.27 H new ATOM 0 HD21 LEU I 84 -1.089 3.435 16.025 1.00 63.85 H new ATOM 0 HD22 LEU I 84 -1.144 4.528 14.880 1.00 63.85 H new ATOM 0 HD23 LEU I 84 -1.357 2.999 14.526 1.00 63.85 H new TER 2259 LEU I 84 HETATM 2260 C ACT A 701 -26.892 28.084 23.291 1.00 48.15 C HETATM 2261 O ACT A 701 -25.701 28.160 23.659 1.00 46.42 O HETATM 2262 OXT ACT A 701 -27.684 27.259 23.799 1.00 52.75 O HETATM 2263 CH3 ACT A 701 -27.385 29.020 22.227 1.00 39.47 C HETATM 0 H3 ACT A 701 -27.282 29.936 22.528 1.00 39.47 H new HETATM 0 H2 ACT A 701 -26.871 28.887 21.415 1.00 39.47 H new HETATM 0 H1 ACT A 701 -28.322 28.843 22.048 1.00 39.47 H new HETATM 2264 O HOH A 801 -27.683 25.085 12.560 1.00 35.39 O HETATM 2265 O HOH A 802 -6.972 23.373 10.081 1.00 42.79 O HETATM 2266 O HOH A 803 -6.225 7.940 12.532 1.00 46.15 O HETATM 2267 O HOH A 804 -5.711 37.220 2.943 1.00 54.43 O HETATM 2268 O HOH A 805 -32.179 20.287 21.054 1.00 50.20 O HETATM 2269 O HOH A 806 -12.733 10.053 26.752 1.00 48.73 O HETATM 2270 O HOH A 807 -0.827 35.165 -0.498 1.00 61.32 O HETATM 2271 O HOH A 808 -6.225 1.593 23.274 1.00 48.75 O HETATM 2272 O HOH A 809 -18.078 29.184 26.403 1.00 34.95 O HETATM 2273 O HOH A 810 -25.979 28.794 13.412 1.00 53.21 O HETATM 2274 O HOH A 811 -25.914 33.816 6.051 1.00 46.70 O HETATM 2275 O HOH A 812 16.273 11.761 3.034 1.00 48.67 O HETATM 2276 O HOH A 813 3.920 23.438 10.278 1.00 43.59 O HETATM 2277 O HOH A 814 9.764 28.351 24.111 1.00 33.28 O HETATM 2278 O HOH A 815 -13.611 34.308 21.831 1.00 41.27 O HETATM 2279 O HOH A 816 6.820 12.808 22.939 1.00 39.61 O HETATM 2280 O HOH A 817 -12.531 28.704 16.774 1.00 41.59 O HETATM 2281 O HOH A 818 -17.431 14.679 -3.355 1.00 49.75 O HETATM 2282 O HOH A 819 -23.069 10.611 23.910 1.00 44.98 O HETATM 2283 O HOH A 820 0.276 13.977 27.329 1.00 39.24 O HETATM 2284 O HOH A 821 -11.450 22.306 12.203 1.00 41.50 O HETATM 2285 O HOH A 822 -1.815 12.024 13.660 1.00 43.69 O HETATM 2286 O HOH A 823 -29.741 15.008 17.801 1.00 33.85 O HETATM 2287 O HOH A 824 -27.855 31.336 7.222 1.00 48.71 O HETATM 2288 O HOH A 825 7.181 8.127 21.725 1.00 57.29 O HETATM 2289 O HOH A 826 -19.546 33.276 27.720 1.00 37.27 O HETATM 2290 O HOH A 827 11.109 35.932 5.544 1.00 42.81 O HETATM 2291 O HOH A 828 -1.641 19.553 7.383 1.00 41.91 O HETATM 2292 O HOH A 829 10.534 17.719 7.720 1.00 47.35 O HETATM 2293 O HOH A 830 -3.956 7.380 17.857 1.00 55.15 O HETATM 2294 O HOH A 831 5.903 26.468 6.285 1.00 35.62 O HETATM 2295 O HOH A 832 -26.801 17.070 2.428 1.00 58.52 O HETATM 2296 O HOH A 833 -14.448 25.084 31.255 1.00 47.62 O HETATM 2297 O HOH A 834 -2.834 16.222 -4.712 1.00 50.91 O HETATM 2298 O HOH A 835 4.854 21.299 22.199 1.00 38.85 O HETATM 2299 O HOH A 836 -25.544 26.067 0.865 1.00 42.14 O HETATM 2300 O HOH A 837 -0.654 28.935 32.669 1.00 47.83 O HETATM 2301 O HOH A 838 -10.820 19.620 -9.873 1.00 46.96 O HETATM 2302 O HOH A 839 10.911 13.388 20.596 1.00 34.48 O HETATM 2303 O HOH A 840 -6.002 23.663 13.285 1.00 33.57 O HETATM 2304 O HOH A 841 -7.886 30.993 13.548 1.00 30.43 O HETATM 2305 O HOH A 842 -12.672 28.985 11.024 1.00 38.47 O HETATM 2306 O HOH A 843 6.769 11.951 -0.162 0.50 39.69 O HETATM 2307 O HOH A 844 -13.616 3.518 20.751 1.00 34.36 O HETATM 2308 O HOH A 845 -18.823 10.237 -0.488 1.00 44.57 O HETATM 2309 O HOH A 846 -8.766 30.782 16.368 1.00 27.56 O HETATM 2310 O HOH A 847 13.709 27.488 18.190 1.00 44.88 O HETATM 2311 O HOH A 848 -20.705 36.985 19.752 1.00 41.43 O HETATM 2312 O HOH A 849 -19.915 33.197 16.167 1.00 46.33 O HETATM 2313 O HOH A 850 -15.913 4.067 5.687 1.00 34.30 O HETATM 2314 O HOH A 851 7.789 6.746 8.076 1.00 43.48 O HETATM 2315 O HOH A 852 -7.757 2.182 7.759 1.00 42.23 O HETATM 2316 O HOH A 853 -21.142 34.041 13.346 1.00 27.94 O HETATM 2317 O HOH A 854 -7.851 38.113 9.398 1.00 39.72 O HETATM 2318 O HOH A 855 -18.302 34.223 9.642 1.00 50.98 O HETATM 2319 O HOH A 856 -11.155 32.272 30.916 1.00 53.70 O HETATM 2320 O HOH A 857 -7.228 21.165 35.210 1.00 45.64 O HETATM 2321 O HOH A 858 11.597 23.347 8.018 1.00 44.97 O HETATM 2322 O HOH A 859 -10.930 26.741 11.788 1.00 49.83 O HETATM 2323 O HOH A 860 13.815 27.938 14.670 1.00 44.15 O HETATM 2324 O HOH A 861 3.502 14.615 21.960 1.00 43.09 O HETATM 2325 O HOH A 862 -7.376 37.262 18.931 1.00 45.23 O HETATM 2326 O HOH A 863 -8.474 2.278 4.751 1.00 43.18 O HETATM 2327 O HOH A 864 -16.854 11.535 -3.097 1.00 49.22 O HETATM 2328 O HOH A 865 1.090 43.046 6.109 1.00 50.51 O HETATM 2329 O HOH A 866 -5.148 3.241 25.481 1.00 46.00 O HETATM 2330 O HOH A 867 11.199 30.525 7.035 1.00 56.06 O HETATM 2331 O HOH A 868 -10.717 35.108 21.795 1.00 44.24 O HETATM 2332 O HOH A 869 0.690 29.949 30.270 1.00 59.33 O HETATM 2333 O HOH A 870 -18.267 16.520 -5.526 1.00 43.33 O HETATM 2334 O HOH A 871 -8.380 5.943 12.405 1.00 56.69 O HETATM 2335 O HOH I 101 -0.933 3.924 10.613 1.00 42.72 O HETATM 2336 O HOH I 102 4.348 6.987 4.770 1.00 42.98 O CONECT 2260 2261 2262 2263 CONECT 2261 2260 CONECT 2262 2260 CONECT 2263 2260 END