USER MOD reduce.3.24.130724 H: found=0, std=0, add=1873, rem=0, adj=64 USER MOD reduce.3.24.130724 removed 1795 hydrogens (0 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 05-DEC-05 2F91 TITLE 1.2A RESOLUTION STRUCTURE OF A CRAYFISH TRYPSIN COMPLEXED TITLE 2 WITH A PEPTIDE INHIBITOR, SGTI COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEPATOPANCREAS TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.21.4; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: SERINE PROTEASE INHIBITOR I/II; COMPND 7 CHAIN: B; COMPND 8 FRAGMENT: PROTEASE INHIBITOR SGPI-1, RESIDUES 20-54; COMPND 9 SYNONYM: SCHISTOCERCA GREGARIA TRYPSIN INHIBITOR, SGTI; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PONTASTACUS LEPTODACTYLUS; SOURCE 3 ORGANISM_COMMON: NARROW-CLAWED CRAYFISH; SOURCE 4 ORGANISM_TAXID: 6717; SOURCE 5 TISSUE: HEPATOPANCREAS; SOURCE 6 MOL_ID: 2; SOURCE 7 SYNTHETIC: YES; SOURCE 8 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED, SOURCE 9 THIS SEQUENCE OCCURS NATURALLY IN SCHISTOCERCA GREGARIA SOURCE 0 (DESERT LOCUST) KEYWDS SERINE PROTEASE, TRYPSIN, CANONICAL INHIBITOR, ATOMIC KEYWDS 2 RESOLUTION, HYDROLASE/HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR K.FODOR,V.HARMAT,C.HETENYI,J.KARDOS,J.ANTAL,A.PERCZEL, AUTHOR 2 A.PATTHY,G.KATONA,L.GRAF REVDAT 2 24-FEB-09 2F91 1 VERSN REVDAT 1 18-APR-06 2F91 0 SPRSDE 18-APR-06 2F91 1YR4 JRNL AUTH K.FODOR,V.HARMAT,R.NEUTZE,L.SZILAGYI,L.GRAF, JRNL AUTH 2 G.KATONA JRNL TITL ENZYME:SUBSTRATE HYDROGEN BOND SHORTENING DURING JRNL TITL 2 THE ACYLATION PHASE OF SERINE PROTEASE CATALYSIS. JRNL REF BIOCHEMISTRY V. 45 2114 2006 JRNL REFN ISSN 0006-2960 JRNL PMID 16475800 JRNL DOI 10.1021/BI0517133 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.FODOR,V.HARMAT,C.HETENYI,J.KARDOS,J.ANTAL, REMARK 1 AUTH 2 A.PERCZEL,A.PATTHY,G.KATONA,L.GRAF REMARK 1 TITL EXTENDED INTERMOLECULAR INTERACTIONS IN A SERINE REMARK 1 TITL 2 PROTEASE-CANONICAL INHIBITOR COMPLEX ACCOUNT FOR REMARK 1 TITL 3 STRONG AND HIGHLY SPECIFIC INHIBITION. REMARK 1 REF J.MOL.BIOL. V. 350 156 2005 REMARK 1 REFN ISSN 0022-2836 REMARK 1 PMID 15922357 REMARK 1 DOI 10.1016/J.JMB.2005.04.039 REMARK 2 REMARK 2 RESOLUTION. 1.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : SHELXL-97 REMARK 3 AUTHORS : G.M.SHELDRICK REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.10 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 91.1 REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.139 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : 0.182 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 5.300 REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 3470 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 65673 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : 0.126 REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE (F>4SIG(F)) : 0.168 REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 5.300 REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : 2871 REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 54446 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3802 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 8 REMARK 3 SOLVENT ATOMS : 343 REMARK 3 REMARK 3 MODEL REFINEMENT. REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : NULL REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : NULL REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 3 REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 21232 REMARK 3 NUMBER OF RESTRAINTS : 37511 REMARK 3 REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. REMARK 3 BOND LENGTHS (A) : 0.012 REMARK 3 ANGLE DISTANCES (A) : 0.029 REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : NULL REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.428 REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.070 REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.074 REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.018 REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.004 REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.027 REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.040 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED: MOEWS & KRETSINGER REMARK 3 REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH & HUBER REMARK 3 SPECIAL CASE: NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2F91 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-JAN-06. REMARK 100 THE RCSB ID CODE IS RCSB035602. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 4.60 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID14-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.933 REMARK 200 MONOCHROMATOR : DIAMOND (111), GE (220) REMARK 200 OPTICS : MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 69145 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.200 REMARK 200 RESOLUTION RANGE LOW (A) : 32.100 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.1 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.06000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.23 REMARK 200 COMPLETENESS FOR SHELL (%) : 51.8 REMARK 200 DATA REDUNDANCY IN SHELL : 1.50 REMARK 200 R MERGE FOR SHELL (I) : 0.20000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.300 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: PDB ENTRY 1H4W TRUNCATED TO POLYALANINE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 30% PEG 400, 0.1 M CD CHLORIDE, 0.1 REMARK 280 M NA ACETATE, PH 4.60, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 48.65100 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.83650 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 48.65100 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.83650 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 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: 2430 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11030 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -45.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU B 1 REMARK 465 HIS B 35 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 VAL A 244 O REMARK 470 PRO B 34 O REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLN B 2 CB CG CD OE1 NE2 REMARK 480 LYS B 11 CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 OD2 ASP A 60C CD CD A 404 1455 2.03 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU A 60E OE1 - CD - OE2 ANGL. DEV. = -7.4 DEGREES REMARK 500 GLU A 77 OE1 - CD - OE2 ANGL. DEV. = -12.9 DEGREES REMARK 500 GLU A 77 CG - CD - OE1 ANGL. DEV. = 16.2 DEGREES REMARK 500 ASP A 95 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ARG A 221 CD - NE - CZ ANGL. DEV. = 9.6 DEGREES REMARK 500 ARG A 221 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 GLU B 3 C - N - CA ANGL. DEV. = 18.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 LEU A 71 -67.81 -130.73 REMARK 500 ASN A 115 -166.08 -162.87 REMARK 500 SER A 202 20.26 -150.42 REMARK 500 SER A 214 -66.49 -125.89 REMARK 500 GLU B 3 -54.92 87.47 REMARK 500 ASP B 13 -123.10 49.55 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 GLU A 125 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 613 DISTANCE = 5.47 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 401 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 70 OE2 REMARK 620 2 GLU A 80 OE2 105.3 REMARK 620 3 HOH A 592 O 89.1 88.9 REMARK 620 4 GLU A 77 OE1 88.7 91.3 177.7 REMARK 620 5 ASP A 72 O 83.9 169.4 86.1 94.1 REMARK 620 6 VAL A 75 O 161.9 92.0 86.3 95.9 78.3 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 402 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 135 OD1 REMARK 620 2 CL A 408 CL 101.0 REMARK 620 3 ASP A 135 OD2 53.7 101.7 REMARK 620 4 CL A 407 CL 146.7 102.2 98.1 REMARK 620 5 ASP A 178 OD1 81.7 151.6 102.5 89.0 REMARK 620 6 ASP A 178 OD2 97.2 97.2 147.8 103.2 54.6 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 403 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 60E OE1 REMARK 620 2 GLU A 60E OE2 53.0 REMARK 620 3 HOH A 433 O 93.5 94.6 REMARK 620 4 HOH A 627 O 96.8 149.8 89.1 REMARK 620 5 HOH A 633 O 139.0 88.3 104.1 119.9 REMARK 620 6 HOH A 705 O 75.6 82.9 168.1 87.4 87.5 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 404 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 595 O REMARK 620 2 HOH A 687 O 56.4 REMARK 620 3 ASP A 21 OD2 94.9 131.7 REMARK 620 4 HOH A 597 O 108.4 61.8 100.7 REMARK 620 5 ASP A 21 OD1 60.3 78.2 53.5 75.5 REMARK 620 6 ASP A 60C OD2 85.2 108.2 106.6 148.3 134.4 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 405 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 178 O REMARK 620 2 GLU A 231 OE1 84.0 REMARK 620 3 HOH A 576 O 80.4 84.9 REMARK 620 4 MET A 180 O 86.8 82.2 162.7 REMARK 620 5 ASP A 165 OD1 128.4 138.9 120.9 76.2 REMARK 620 6 HOH A 577 O 159.9 84.3 82.4 107.7 69.9 REMARK 620 7 ASP A 165 OD2 94.3 167.5 82.6 110.1 50.0 93.6 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 406 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 125 OE2 REMARK 620 2 HOH A 719 O 84.6 REMARK 620 3 GLU A 125 OE1 54.8 137.8 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 401 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 402 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 403 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 404 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 405 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 406 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 407 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 408 DBREF 2F91 A 16 244 UNP Q52V24 Q52V24_PONLE 1 237 DBREF 2F91 B 1 35 UNP O46162 SGP1_SCHGR 20 54 SEQADV 2F91 VAL A 59 UNP Q52V24 ALA 47 VARIANT SEQRES 1 A 237 ILE VAL GLY GLY THR ASP ALA THR LEU GLY GLU PHE PRO SEQRES 2 A 237 TYR GLN LEU SER PHE GLN GLU THR PHE ILE GLY PHE SER SEQRES 3 A 237 PHE HIS PHE CYS GLY ALA SER ILE TYR ASN GLU ASN TYR SEQRES 4 A 237 ALA ILE THR ALA GLY HIS CYS VAL TYR GLY ASP ASP TYR SEQRES 5 A 237 GLU ASN PRO SER GLY LEU GLN ILE VAL ALA GLY GLU LEU SEQRES 6 A 237 ASP MET SER VAL ASN GLU GLY SER GLU GLN ILE ILE THR SEQRES 7 A 237 VAL SER LYS ILE ILE LEU HIS GLU ASN PHE ASP TYR ASN SEQRES 8 A 237 LEU LEU ASP ASN ASP ILE SER LEU LEU LYS LEU SER GLY SEQRES 9 A 237 SER LEU THR PHE ASN ASP ASN VAL ALA PRO ILE ALA LEU SEQRES 10 A 237 PRO GLU GLN GLY HIS THR ALA THR GLY ASP VAL ILE VAL SEQRES 11 A 237 THR GLY TRP GLY THR THR SER GLU GLY GLY ASN THR PRO SEQRES 12 A 237 ASP VAL LEU GLN LYS VAL THR VAL PRO LEU VAL SER ASP SEQRES 13 A 237 GLU ASP CYS ARG ALA ASP TYR GLY ALA ASP GLU ILE LEU SEQRES 14 A 237 ASP SER MET ILE CYS ALA GLY VAL PRO GLU GLY GLY LYS SEQRES 15 A 237 ASP SER CYS GLN GLY ASP SER GLY GLY PRO LEU ALA ALA SEQRES 16 A 237 SER ASP THR GLY SER THR TYR LEU ALA GLY ILE VAL SER SEQRES 17 A 237 TRP GLY TYR GLY CYS ALA ARG PRO GLY TYR PRO GLY VAL SEQRES 18 A 237 TYR THR GLU VAL SER TYR HIS VAL ASP TRP ILE LYS ALA SEQRES 19 A 237 ASN ALA VAL SEQRES 1 B 35 GLU GLN GLU CYS THR PRO GLY GLN THR LYS LYS GLN ASP SEQRES 2 B 35 CYS ASN THR CYS ASN CYS THR PRO THR GLY VAL TRP ALA SEQRES 3 B 35 CYS THR ARG LYS GLY CYS PRO PRO HIS HET CD A 401 1 HET CD A 402 1 HET CD A 403 1 HET CD A 404 1 HET CD A 405 1 HET CD A 406 1 HET CL A 407 1 HET CL A 408 1 HETNAM CD CADMIUM ION HETNAM CL CHLORIDE ION FORMUL 3 CD 6(CD 2+) FORMUL 9 CL 2(CL 1-) FORMUL 11 HOH *343(H2 O) HELIX 1 1 ALA A 55 VAL A 59 5 5 HELIX 2 2 SER A 164 GLY A 173 1 10 HELIX 3 3 HIS A 235 ALA A 243 1 9 SHEET 1 A 8 THR A 20 ASP A 21 0 SHEET 2 A 8 GLN A 156 VAL A 163 -1 O LYS A 157 N THR A 20 SHEET 3 A 8 ASP A 135 GLY A 140 -1 N VAL A 136 O VAL A 160 SHEET 4 A 8 PRO A 198 ALA A 201 -1 O ALA A 200 N ILE A 137 SHEET 5 A 8 TYR A 208 GLY A 216 -1 O GLY A 211 N LEU A 199 SHEET 6 A 8 TRP B 25 THR B 28 -1 O CYS B 27 N GLY A 216 SHEET 7 A 8 ASN B 15 CYS B 19 -1 N ASN B 18 O ALA B 26 SHEET 8 A 8 THR B 9 GLN B 12 -1 N GLN B 12 O ASN B 15 SHEET 1 B 8 THR A 20 ASP A 21 0 SHEET 2 B 8 GLN A 156 VAL A 163 -1 O LYS A 157 N THR A 20 SHEET 3 B 8 MET A 180 ALA A 183 -1 O CYS A 182 N VAL A 163 SHEET 4 B 8 GLY A 227 GLU A 231 -1 O TYR A 229 N ILE A 181 SHEET 5 B 8 TYR A 208 GLY A 216 -1 N TRP A 215 O VAL A 228 SHEET 6 B 8 TRP B 25 THR B 28 -1 O CYS B 27 N GLY A 216 SHEET 7 B 8 ASN B 15 CYS B 19 -1 N ASN B 18 O ALA B 26 SHEET 8 B 8 THR B 9 GLN B 12 -1 N GLN B 12 O ASN B 15 SHEET 1 C 7 GLN A 30 PHE A 37 0 SHEET 2 C 7 PHE A 37C ASN A 48 -1 O PHE A 39 N GLU A 35 SHEET 3 C 7 TYR A 51 THR A 54 -1 O ILE A 53 N SER A 45 SHEET 4 C 7 SER A 104 LEU A 108 -1 O SER A 104 N THR A 54 SHEET 5 C 7 GLN A 81 LEU A 90 -1 N ILE A 89 O LEU A 105 SHEET 6 C 7 LEU A 64 ALA A 68 -1 N ILE A 66 O ILE A 83 SHEET 7 C 7 GLN A 30 PHE A 37 -1 N GLN A 34 O GLN A 65 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.07 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.12 SSBOND *** CYS A 191 CYS A 219 1555 1555 2.10 SSBOND *** CYS B 4 CYS B 19 1555 1555 2.03 SSBOND *** CYS B 14 CYS B 32 1555 1555 2.04 SSBOND *** CYS B 17 CYS B 27 1555 1555 2.15 LINK CD CD A 401 OE2 GLU A 70 1555 1555 2.21 LINK CD CD A 401 OE2 GLU A 80 1555 1555 2.27 LINK CD CD A 401 O HOH A 592 1555 1555 2.25 LINK CD CD A 401 OE1 GLU A 77 1555 1555 2.50 LINK CD CD A 401 O ASP A 72 1555 1555 2.25 LINK CD CD A 401 O VAL A 75 1555 1555 2.09 LINK CD CD A 402 OD1 ASP A 135 1555 1555 2.54 LINK CD CD A 402 CL CL A 408 1555 1555 2.44 LINK CD CD A 402 OD2 ASP A 135 1555 1555 2.30 LINK CD CD A 402 CL CL A 407 1555 1555 2.56 LINK CD CD A 403 OE1 GLU A 60E 1555 1555 2.35 LINK CD CD A 403 OE2 GLU A 60E 1555 1555 2.44 LINK CD CD A 403 O HOH A 433 1555 1555 2.47 LINK CD CD A 403 O HOH A 627 1555 1555 2.31 LINK CD CD A 403 O HOH A 633 1555 1555 2.47 LINK CD CD A 403 O HOH A 705 1555 1555 2.29 LINK CD CD A 404 O HOH A 595 1555 1555 2.23 LINK CD CD A 404 O HOH A 687 1555 1555 2.56 LINK CD CD A 404 OD2 ASP A 21 1555 1555 2.15 LINK CD CD A 404 O HOH A 597 1555 1555 1.62 LINK CD CD A 404 OD1 ASP A 21 1555 1555 2.59 LINK CD CD A 405 O ASP A 178 1555 1555 2.29 LINK CD CD A 405 OE1 GLU A 231 1555 1555 2.30 LINK CD CD A 405 O HOH A 576 1555 1555 2.43 LINK CD CD A 405 O MET A 180 1555 1555 2.30 LINK CD CD A 405 OD1 ASP A 165 1555 1555 2.65 LINK CD CD A 405 O HOH A 577 1555 1555 2.37 LINK CD CD A 405 OD2 ASP A 165 1555 1555 2.31 LINK CD CD A 406 OE2 GLU A 125 1555 1555 2.30 LINK CD CD A 406 O HOH A 719 1555 1555 2.68 LINK CD CD A 406 OE1 GLU A 125 1555 1555 2.52 LINK CD CD A 402 OD1 ASP A 178 1555 4565 2.39 LINK CD CD A 402 OD2 ASP A 178 1555 4565 2.34 LINK CD CD A 404 OD2 ASP A 60C 1555 1655 2.03 SITE *** AC1 6 GLU A 70 ASP A 72 VAL A 75 GLU A 77 SITE *** AC1 6 GLU A 80 HOH A 592 SITE *** AC2 4 ASP A 135 ASP A 178 CL A 407 CL A 408 SITE *** AC3 5 GLU A 60E HOH A 433 HOH A 627 HOH A 633 SITE *** AC3 5 HOH A 705 SITE *** AC4 5 ASP A 21 ASP A 60C HOH A 595 HOH A 597 SITE *** AC4 5 HOH A 687 SITE *** AC5 6 ASP A 165 ASP A 178 MET A 180 GLU A 231 SITE *** AC5 6 HOH A 576 HOH A 577 SITE *** AC6 2 GLU A 125 HOH A 719 SITE *** AC7 6 ASN A 93 ASP A 135 ARG A 169 ASP A 178 SITE *** AC7 6 CD A 402 HOH A 602 SITE *** AC8 6 ASP A 135 THR A 159 PRO A 161 ASP A 178 SITE *** AC8 6 LYS A 188 CD A 402 CRYST1 41.283 59.673 97.302 90.00 90.00 90.00 P 21 21 21 4 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 0.024223 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016758 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010277 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 3 GLU H : B 3 GLU N : B 2 GLN C :(H bumps) USER MOD Set 1.1: B 20 THR OG1 : rot 139:sc= 0.666 USER MOD Set 1.2: B 22 THR OG1 : rot 180:sc= 1.53 USER MOD Set 2.1: B 15 ASN : amide:sc= 2.59 K(o=6.6,f=-3.3!) USER MOD Set 2.2: B 16 THR OG1 : rot 20:sc= 2.04 USER MOD Set 2.3: B 28 THR OG1 : rot 87:sc= 1.97 USER MOD Set 3.1: A 190 SER OG : rot -97:sc= 1.07 USER MOD Set 3.2: A 229 TYR OH : rot -173:sc= 1.92 USER MOD Set 4.1: A 204 THR OG1 : rot 103:sc= 0.00557 USER MOD Set 4.2: A 206 SER OG : rot 108:sc= 1.28 USER MOD Set 5.1: A 30 GLN : amide:sc= 1.36 K(o=3.4,f=-1.3) USER MOD Set 5.2: A 139 THR OG1 : rot 94:sc= 2.08 USER MOD Set 6.1: A 128 HIS : no HD1:sc= 2.02 K(o=2.9,f=-8.2!) USER MOD Set 6.2: A 208 TYR OH : rot -175:sc= 0.84 USER MOD Set 7.1: A 101 ASN : amide:sc= 1.74 K(o=2.9,f=-0.43!) USER MOD Set 7.2: A 235 HIS : no HE2:sc= 1.19 K(o=2.9,f=-1.3!) USER MOD Set 8.1: A 84 THR OG1 : rot 180:sc= 0.951 USER MOD Set 8.2: A 109 SER OG : rot -139:sc= 2.16 USER MOD Set 9.1: A 79 SER OG A: rot 66:sc= 2.8 USER MOD Set 9.2: A 117 ASN : amide:sc= 1.72 K(o=4.5,f=2.6) USER MOD Set10.1: A 57 HIS : no HE2:sc= 1.72 K(o=0.63,f=-12!) USER MOD Set10.2: A 195 SER OG : rot -156:sc= -1.09! USER MOD Set11.1: A 50 ASN : amide:sc= 1.45 K(o=2.6,f=2) USER MOD Set11.2: A 111 SER OG : rot -44:sc= 1.14 USER MOD Set12.1: A 32 SER OG : rot 58:sc= 1.36 USER MOD Set12.2: A 34 GLN : amide:sc= 1.84 K(o=4.1,f=2.3) USER MOD Set12.3: A 40 HIS : no HD1:sc= 1.71 K(o=4.1,f=-10!) USER MOD Set12.4: A 65 GLN : amide:sc= 0.373 K(o=4.1,f=2.9!) USER MOD Set12.5: A 73 MET CE :methyl -134:sc= -1.17 (180deg=-3.17!) USER MOD Single : A 20 THR OG1 : rot -81:sc= 1.18 USER MOD Single : A 23 THR OG1 : rot 80:sc= 0.475 USER MOD Single : A 29 TYR OH : rot -9:sc= 2.09 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 38 SER OG : rot 178:sc= 2.13 USER MOD Single : A 45 SER OG : rot 94:sc= 0.4 USER MOD Single : A 47 TYR OH : rot 173:sc= 1.38 USER MOD Single : A 48 ASN : amide:sc= -0.208 K(o=-0.21,f=-6.1!) USER MOD Single : A 51 TYR OH : rot -80:sc= -3.62! USER MOD Single : A 54 THR OG1 : rot 94:sc= 0.696 USER MOD Single : A 60 TYR OH : rot 83:sc= 0.998 USER MOD Single : A 60DTYR OH : rot -165:sc= 1.55 USER MOD Single : A 60FASN : amide:sc= -0.042 X(o=-0.042,f=-0.046) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -51:sc= 1.05 USER MOD Single : A 76 ASN : amide:sc= -0.697 K(o=-0.7,f=0.76) USER MOD Single : A 79 SER OG B: rot 85:sc= 0.446 USER MOD Single : A 81 GLN : amide:sc= 2.36 K(o=2.4,f=-4.2!) USER MOD Single : A 86 SER OG : rot -25:sc= 0.0192 USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 1.43 (180deg=1.3) USER MOD Single : A 91 HIS : no HD1:sc= 0.429 K(o=0.43,f=-5.5!) USER MOD Single : A 93 ASN : amide:sc= 0.135 X(o=0.14,f=0.39) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 1.63 X(o=1.6,f=1.6) USER MOD Single : A 104 SER OG A: rot -101:sc= 0.0284 USER MOD Single : A 104 SER OG B: rot 25:sc= 0.0246 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.958 K(o=0.96,f=-5!) USER MOD Single : A 126 GLN : amide:sc= 0.187 K(o=0.19,f=-4.3!) USER MOD Single : A 129 THR OG1 : rot -37:sc= 1.49 USER MOD Single : A 131 THR OG1 : rot -167:sc= 2.38 USER MOD Single : A 143 THR OG1 : rot 74:sc= 0.562 USER MOD Single : A 144 THR OG1 : rot -163:sc= 2.25 USER MOD Single : A 145 SER OG : rot 127:sc= 2.48 USER MOD Single : A 149 ASN : amide:sc= 0.0518 X(o=0.052,f=-0.056) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 GLN : amide:sc= 2.82 K(o=2.8,f=1.8) USER MOD Single : A 157 LYS NZ :NH3+ 157:sc= 1.4 (180deg=0.875) USER MOD Single : A 159 THR OG1 : rot -128:sc= 2.12 USER MOD Single : A 164 SER OG : rot -110:sc= 1.54 USER MOD Single : A 172 TYR OH : rot -168:sc= 1.26 USER MOD Single : A 179 SER OG : rot -139:sc= 2.2 USER MOD Single : A 180 MET CE :methyl 164:sc= 0 (180deg=-0.0609) USER MOD Single : A 188 LYS NZ :NH3+ 147:sc= 0.921 (180deg=0.48) USER MOD Single : A 192 GLN : amide:sc= 2.22 K(o=2.2,f=0.8) USER MOD Single : A 202 SER OG : rot 70:sc= 0.231 USER MOD Single : A 207 THR OG1 : rot -91:sc= 0.841 USER MOD Single : A 214 SER OG : rot 67:sc= 1.86 USER MOD Single : A 217 TYR OH : rot 32:sc= 0.137 USER MOD Single : A 224 TYR OH : rot -160:sc= 2.42 USER MOD Single : A 230 THR OG1 : rot 165:sc= 2.97 USER MOD Single : A 233 SER OG : rot 120:sc= 1.41 USER MOD Single : A 234 TYR OH : rot -170:sc= 3.64 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 ASN : amide:sc= 1.46 K(o=1.5,f=-0.045) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.77 K(o=0.77,f=-5.1!) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 1.72 X(o=1.7,f=1.4) USER MOD Single : B 18 ASN : amide:sc= 2.77 K(o=2.8,f=0.48) USER MOD Single : B 27 CYS SG B: rot 85:sc= -0.653 USER MOD Single : B 30 LYS NZ :NH3+ -177:sc= 0.0489 (180deg=0.0478) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 39.787 55.939 17.080 1.00 11.74 N ANISOU 1 N ILE A 16 777 2694 991 -164 137 339 N ATOM 2 CA ILE A 16 40.743 55.466 16.062 1.00 9.87 C ANISOU 2 CA ILE A 16 978 2017 755 -119 -76 504 C ATOM 3 C ILE A 16 41.968 54.871 16.753 1.00 11.16 C ANISOU 3 C ILE A 16 1021 2302 917 25 -109 -497 C ATOM 4 O ILE A 16 42.584 55.569 17.571 1.00 12.19 O ANISOU 4 O ILE A 16 803 2648 1180 -184 -67 719 O ATOM 5 CB ILE A 16 41.192 56.629 15.156 1.00 10.47 C ANISOU 5 CB ILE A 16 802 2182 993 -162 112 371 C ATOM 6 CG1 ILE A 16 40.056 57.346 14.433 1.00 10.23 C ANISOU 6 CG1 ILE A 16 880 1843 1164 -250 59 327 C ATOM 7 CG2 ILE A 16 42.304 56.213 14.187 1.00 11.42 C ANISOU 7 CG2 ILE A 16 843 2468 1029 -161 130 631 C ATOM 8 CD1 ILE A 16 39.364 56.551 13.395 1.00 9.92 C ANISOU 8 CD1 ILE A 16 962 1749 1060 -55 -43 312 C ATOM 0 HA ILE A 16 40.306 54.793 15.517 1.00 9.87 H new ATOM 0 HB ILE A 16 41.559 57.286 15.768 1.00 10.47 H new ATOM 0 HG12 ILE A 16 39.402 57.630 15.091 1.00 10.23 H new ATOM 0 HG13 ILE A 16 40.411 58.149 14.021 1.00 10.23 H new ATOM 0 HG21 ILE A 16 42.556 56.972 13.638 1.00 11.42 H new ATOM 0 HG22 ILE A 16 43.075 55.909 14.691 1.00 11.42 H new ATOM 0 HG23 ILE A 16 41.986 55.494 13.618 1.00 11.42 H new ATOM 0 HD11 ILE A 16 38.662 57.085 12.992 1.00 9.92 H new ATOM 0 HD12 ILE A 16 40.000 56.286 12.712 1.00 9.92 H new ATOM 0 HD13 ILE A 16 38.976 55.759 13.799 1.00 9.92 H new ATOM 22 N VAL A 17 42.245 53.628 16.437 1.00 10.79 N ANISOU 22 N VAL A 17 832 2270 999 -63 -212 408 N ATOM 23 CA VAL A 17 43.337 52.844 16.943 1.00 11.45 C ANISOU 23 CA VAL A 17 1043 2179 1128 -16 -95 -148 C ATOM 24 C VAL A 17 44.479 52.847 15.931 1.00 10.65 C ANISOU 24 C VAL A 17 851 2050 1147 -11 -229 -94 C ATOM 25 O VAL A 17 44.259 52.580 14.745 1.00 11.31 O ANISOU 25 O VAL A 17 928 2326 1045 -30 -84 135 O ATOM 26 CB VAL A 17 42.928 51.404 17.248 1.00 12.25 C ANISOU 26 CB VAL A 17 857 2237 1558 -213 -165 195 C ATOM 27 CG1 VAL A 17 44.140 50.654 17.848 1.00 12.97 C ANISOU 27 CG1 VAL A 17 1302 2241 1385 11 -213 -36 C ATOM 28 CG2 VAL A 17 41.723 51.340 18.200 1.00 13.44 C ANISOU 28 CG2 VAL A 17 1172 2188 1747 -338 52 -293 C ATOM 0 H VAL A 17 41.762 53.188 15.878 1.00 10.79 H new ATOM 0 HA VAL A 17 43.623 53.248 17.777 1.00 11.45 H new ATOM 0 HB VAL A 17 42.654 50.978 16.421 1.00 12.25 H new ATOM 0 HG11 VAL A 17 43.889 49.738 18.045 1.00 12.97 H new ATOM 0 HG12 VAL A 17 44.871 50.659 17.211 1.00 12.97 H new ATOM 0 HG13 VAL A 17 44.421 51.094 18.665 1.00 12.97 H new ATOM 0 HG21 VAL A 17 41.493 50.413 18.370 1.00 13.44 H new ATOM 0 HG22 VAL A 17 41.948 51.775 19.037 1.00 13.44 H new ATOM 0 HG23 VAL A 17 40.966 51.791 17.795 1.00 13.44 H new ATOM 38 N GLY A 18 45.691 53.163 16.361 1.00 12.58 N ANISOU 38 N GLY A 18 976 2274 1531 -200 -308 249 N ATOM 39 CA GLY A 18 46.885 53.059 15.532 1.00 12.27 C ANISOU 39 CA GLY A 18 838 2126 1698 -90 -372 244 C ATOM 40 C GLY A 18 47.056 54.254 14.600 1.00 13.02 C ANISOU 40 C GLY A 18 1285 2160 1503 -116 -150 -301 C ATOM 41 O GLY A 18 47.840 54.136 13.659 1.00 15.48 O ANISOU 41 O GLY A 18 1391 2769 1722 -202 85 -458 O ATOM 0 H GLY A 18 45.847 53.449 17.157 1.00 12.58 H new ATOM 0 HA2 GLY A 18 47.666 52.984 16.103 1.00 12.27 H new ATOM 0 HA3 GLY A 18 46.839 52.246 15.005 1.00 12.27 H new ATOM 45 N GLY A 19 46.383 55.358 14.856 1.00 12.62 N ANISOU 45 N GLY A 19 1448 2078 1267 -102 -259 -276 N ATOM 46 CA GLY A 19 46.396 56.565 14.069 1.00 12.67 C ANISOU 46 CA GLY A 19 1135 2123 1557 -240 -220 -204 C ATOM 47 C GLY A 19 47.354 57.611 14.529 1.00 12.94 C ANISOU 47 C GLY A 19 1103 2231 1583 -277 -205 -316 C ATOM 48 O GLY A 19 48.233 57.393 15.366 1.00 16.15 O ANISOU 48 O GLY A 19 1270 2835 2032 -307 -490 -199 O ATOM 0 H GLY A 19 45.871 55.424 15.544 1.00 12.62 H new ATOM 0 HA2 GLY A 19 46.608 56.334 13.151 1.00 12.67 H new ATOM 0 HA3 GLY A 19 45.503 56.943 14.067 1.00 12.67 H new ATOM 52 N THR A 20 47.254 58.768 13.901 1.00 12.98 N ANISOU 52 N THR A 20 1023 2030 1879 -76 -218 -564 N ATOM 53 CA THR A 20 48.006 59.954 14.197 1.00 13.64 C ANISOU 53 CA THR A 20 1119 2028 2035 -145 56 -560 C ATOM 54 C THR A 20 47.100 61.161 14.302 1.00 12.62 C ANISOU 54 C THR A 20 945 2043 1809 -211 -109 645 C ATOM 55 O THR A 20 45.937 61.080 13.927 1.00 12.29 O ANISOU 55 O THR A 20 831 2012 1828 -339 103 735 O ATOM 56 CB THR A 20 49.096 60.219 13.132 1.00 14.19 C ANISOU 56 CB THR A 20 1211 2137 2043 -8 148 -369 C ATOM 57 OG1 THR A 20 48.503 60.401 11.843 1.00 16.53 O ANISOU 57 OG1 THR A 20 1499 2654 2129 -46 79 -259 O ATOM 58 CG2 THR A 20 50.050 59.055 13.001 1.00 17.87 C ANISOU 58 CG2 THR A 20 1699 2578 2513 426 433 -281 C ATOM 0 H THR A 20 46.706 58.882 13.248 1.00 12.98 H new ATOM 0 HA THR A 20 48.439 59.806 15.052 1.00 13.64 H new ATOM 0 HB THR A 20 49.571 61.013 13.424 1.00 14.19 H new ATOM 0 HG1 THR A 20 48.334 59.651 11.504 1.00 16.53 H new ATOM 0 HG21 THR A 20 50.717 59.257 12.326 1.00 17.87 H new ATOM 0 HG22 THR A 20 50.489 58.898 13.852 1.00 17.87 H new ATOM 0 HG23 THR A 20 49.558 58.261 12.741 1.00 17.87 H new ATOM 65 N ASP A 21 47.580 62.276 14.805 1.00 13.23 N ANISOU 65 N ASP A 21 872 2096 2058 -171 -297 762 N ATOM 66 CA ASP A 21 46.765 63.445 14.918 1.00 12.62 C ANISOU 66 CA ASP A 21 956 2055 1783 -168 -115 625 C ATOM 67 C ASP A 21 46.460 64.059 13.549 1.00 13.14 C ANISOU 67 C ASP A 21 1178 2159 1656 35 76 -682 C ATOM 68 O ASP A 21 47.346 64.191 12.728 1.00 15.89 O ANISOU 68 O ASP A 21 1144 3015 1877 -105 165 -439 O ATOM 69 CB ASP A 21 47.466 64.536 15.752 1.00 13.87 C ANISOU 69 CB ASP A 21 1327 2156 1787 -177 -28 -800 C ATOM 70 CG ASP A 21 47.861 64.116 17.126 1.00 15.52 C ANISOU 70 CG ASP A 21 1436 2338 2122 -207 -544 -563 C ATOM 71 OD1 ASP A 21 47.318 63.193 17.739 1.00 17.08 O ANISOU 71 OD1 ASP A 21 1771 2428 2292 -243 -664 -342 O ATOM 72 OD2 ASP A 21 48.698 64.867 17.686 1.00 19.17 O ANISOU 72 OD2 ASP A 21 1959 2809 2515 -543 -800 -540 O ATOM 0 H ASP A 21 48.386 62.371 15.089 1.00 13.23 H new ATOM 0 HA ASP A 21 45.945 63.156 15.348 1.00 12.62 H new ATOM 0 HB2 ASP A 21 48.259 64.829 15.277 1.00 13.87 H new ATOM 0 HB3 ASP A 21 46.876 65.303 15.819 1.00 13.87 H new ATOM 77 N ALA A 22 45.204 64.465 13.385 1.00 12.92 N ANISOU 77 N ALA A 22 1127 2199 1583 -160 30 -435 N ATOM 78 CA ALA A 22 44.798 65.307 12.266 1.00 13.04 C ANISOU 78 CA ALA A 22 1280 2044 1632 -206 -73 -477 C ATOM 79 C ALA A 22 45.283 66.738 12.525 1.00 12.96 C ANISOU 79 C ALA A 22 1276 1998 1651 -187 309 -772 C ATOM 80 O ALA A 22 45.633 67.122 13.627 1.00 14.87 O ANISOU 80 O ALA A 22 1111 2659 1879 -232 156 -987 O ATOM 81 CB ALA A 22 43.312 65.186 12.142 1.00 13.00 C ANISOU 81 CB ALA A 22 1298 2503 1139 -371 7 -384 C ATOM 0 H ALA A 22 44.563 64.259 13.920 1.00 12.92 H new ATOM 0 HA ALA A 22 45.192 65.035 11.422 1.00 13.04 H new ATOM 0 HB1 ALA A 22 43.003 65.735 11.404 1.00 13.00 H new ATOM 0 HB2 ALA A 22 43.075 64.260 11.977 1.00 13.00 H new ATOM 0 HB3 ALA A 22 42.893 65.485 12.964 1.00 13.00 H new ATOM 87 N THR A 23 45.246 67.572 11.503 1.00 14.77 N ANISOU 87 N THR A 23 1707 2002 1903 -464 143 -717 N ATOM 88 CA THR A 23 45.383 69.001 11.499 1.00 16.54 C ANISOU 88 CA THR A 23 1739 2042 2503 -491 -80 -496 C ATOM 89 C THR A 23 44.124 69.760 11.131 1.00 15.33 C ANISOU 89 C THR A 23 1752 2239 1833 -330 322 -418 C ATOM 90 O THR A 23 43.357 69.229 10.313 1.00 15.36 O ANISOU 90 O THR A 23 1648 2286 1901 -142 209 -344 O ATOM 91 CB THR A 23 46.468 69.327 10.399 1.00 19.16 C ANISOU 91 CB THR A 23 1490 2411 3379 -390 164 29 C ATOM 92 OG1 THR A 23 47.666 68.686 10.805 1.00 23.04 O ANISOU 92 OG1 THR A 23 1797 2780 4177 -63 144 204 O ATOM 93 CG2 THR A 23 46.681 70.814 10.278 1.00 23.79 C ANISOU 93 CG2 THR A 23 2926 2420 3695 -264 593 319 C ATOM 0 H THR A 23 45.126 67.273 10.706 1.00 14.77 H new ATOM 0 HA THR A 23 45.613 69.278 12.400 1.00 16.54 H new ATOM 0 HB THR A 23 46.180 69.010 9.529 1.00 19.16 H new ATOM 0 HG1 THR A 23 47.629 67.871 10.607 1.00 23.04 H new ATOM 0 HG21 THR A 23 47.350 70.991 9.598 1.00 23.79 H new ATOM 0 HG22 THR A 23 45.847 71.241 10.029 1.00 23.79 H new ATOM 0 HG23 THR A 23 46.984 71.168 11.129 1.00 23.79 H new ATOM 100 N LEU A 24 43.894 70.939 11.664 1.00 17.79 N ANISOU 100 N LEU A 24 2159 2354 2246 -141 210 -498 N ATOM 101 CA LEU A 24 42.730 71.720 11.261 1.00 19.75 C ANISOU 101 CA LEU A 24 2501 2369 2633 21 -42 -623 C ATOM 102 C LEU A 24 42.781 71.904 9.750 1.00 18.50 C ANISOU 102 C LEU A 24 2048 2299 2681 114 84 -378 C ATOM 103 O LEU A 24 43.846 72.251 9.212 1.00 20.97 O ANISOU 103 O LEU A 24 2419 2416 3135 -523 311 -767 O ATOM 104 CB LEU A 24 42.677 73.017 12.051 1.00 21.47 C ANISOU 104 CB LEU A 24 2720 2377 3059 -46 248 -768 C ATOM 105 CG LEU A 24 41.364 73.780 12.172 1.00 21.19 C ANISOU 105 CG LEU A 24 2678 2410 2962 -92 3 -923 C ATOM 106 CD1 LEU A 24 40.226 73.032 12.806 1.00 20.36 C ANISOU 106 CD1 LEU A 24 2592 2369 2776 177 98 -762 C ATOM 107 CD2 LEU A 24 41.672 75.062 12.957 1.00 22.64 C ANISOU 107 CD2 LEU A 24 2760 2872 2969 -173 373 1392 C ATOM 0 H LEU A 24 44.392 71.311 12.258 1.00 17.79 H new ATOM 0 HA LEU A 24 41.899 71.262 11.465 1.00 19.75 H new ATOM 0 HB2 LEU A 24 42.980 72.820 12.951 1.00 21.47 H new ATOM 0 HB3 LEU A 24 43.327 73.621 11.659 1.00 21.47 H new ATOM 0 HG LEU A 24 41.043 73.952 11.273 1.00 21.19 H new ATOM 0 HD11 LEU A 24 39.441 73.601 12.836 1.00 20.36 H new ATOM 0 HD12 LEU A 24 40.030 72.238 12.284 1.00 20.36 H new ATOM 0 HD13 LEU A 24 40.471 72.773 13.708 1.00 20.36 H new ATOM 0 HD21 LEU A 24 40.860 75.582 13.059 1.00 22.64 H new ATOM 0 HD22 LEU A 24 42.019 74.830 13.833 1.00 22.64 H new ATOM 0 HD23 LEU A 24 42.333 75.585 12.476 1.00 22.64 H new ATOM 119 N GLY A 25 41.645 71.597 9.126 1.00 18.16 N ANISOU 119 N GLY A 25 2318 2068 2515 -318 149 -570 N ATOM 120 CA GLY A 25 41.502 71.800 7.697 1.00 17.75 C ANISOU 120 CA GLY A 25 2292 1871 2582 -68 67 -335 C ATOM 121 C GLY A 25 41.925 70.627 6.850 1.00 16.14 C ANISOU 121 C GLY A 25 1938 1978 2216 -261 214 -174 C ATOM 122 O GLY A 25 41.697 70.582 5.652 1.00 15.59 O ANISOU 122 O GLY A 25 1642 2038 2244 -322 175 -197 O ATOM 0 H GLY A 25 40.951 71.271 9.515 1.00 18.16 H new ATOM 0 HA2 GLY A 25 40.574 72.006 7.503 1.00 17.75 H new ATOM 0 HA3 GLY A 25 42.025 72.575 7.439 1.00 17.75 H new ATOM 126 N GLU A 26 42.538 69.669 7.493 1.00 14.04 N ANISOU 126 N GLU A 26 1204 1758 2371 -432 223 -169 N ATOM 127 CA GLU A 26 42.904 68.447 6.780 1.00 14.09 C ANISOU 127 CA GLU A 26 1332 2068 1953 -401 369 -256 C ATOM 128 C GLU A 26 41.691 67.613 6.351 1.00 14.73 C ANISOU 128 C GLU A 26 1382 2280 1935 -590 500 -436 C ATOM 129 O GLU A 26 41.661 67.008 5.256 1.00 13.59 O ANISOU 129 O GLU A 26 1146 2208 1812 -254 385 -284 O ATOM 130 CB GLU A 26 43.798 67.565 7.674 1.00 13.36 C ANISOU 130 CB GLU A 26 1534 1738 1804 -423 430 -257 C ATOM 131 CG GLU A 26 44.437 66.404 6.897 1.00 13.48 C ANISOU 131 CG GLU A 26 1503 1910 1708 -419 533 -277 C ATOM 132 CD GLU A 26 45.432 65.642 7.752 1.00 13.88 C ANISOU 132 CD GLU A 26 1399 2028 1844 -367 450 -322 C ATOM 133 OE1 GLU A 26 45.511 65.886 8.988 1.00 15.69 O ANISOU 133 OE1 GLU A 26 1876 2313 1771 -414 452 -298 O ATOM 134 OE2 GLU A 26 46.164 64.788 7.188 1.00 18.27 O ANISOU 134 OE2 GLU A 26 1721 2911 2311 161 243 -781 O ATOM 0 H GLU A 26 42.754 69.691 8.325 1.00 14.04 H new ATOM 0 HA GLU A 26 43.373 68.731 5.980 1.00 14.09 H new ATOM 0 HB2 GLU A 26 44.496 68.111 8.068 1.00 13.36 H new ATOM 0 HB3 GLU A 26 43.269 67.209 8.406 1.00 13.36 H new ATOM 0 HG2 GLU A 26 43.744 65.799 6.589 1.00 13.48 H new ATOM 0 HG3 GLU A 26 44.884 66.749 6.108 1.00 13.48 H new ATOM 141 N PHE A 27 40.699 67.559 7.251 1.00 12.58 N ANISOU 141 N PHE A 27 1019 2061 1699 -139 212 -354 N ATOM 142 CA PHE A 27 39.474 66.801 7.034 1.00 12.38 C ANISOU 142 CA PHE A 27 1021 2016 1667 -171 298 -297 C ATOM 143 C PHE A 27 38.319 67.756 7.243 1.00 10.16 C ANISOU 143 C PHE A 27 947 1521 1394 -481 349 343 C ATOM 144 O PHE A 27 37.621 67.657 8.278 1.00 11.87 O ANISOU 144 O PHE A 27 1049 2070 1392 -273 400 -238 O ATOM 145 CB PHE A 27 39.421 65.609 8.006 1.00 12.55 C ANISOU 145 CB PHE A 27 1410 1721 1638 -137 105 -486 C ATOM 146 CG PHE A 27 40.624 64.685 7.844 1.00 11.49 C ANISOU 146 CG PHE A 27 980 1756 1627 -383 234 352 C ATOM 147 CD1 PHE A 27 40.793 63.900 6.744 1.00 11.77 C ANISOU 147 CD1 PHE A 27 949 1895 1628 -285 228 387 C ATOM 148 CD2 PHE A 27 41.570 64.652 8.851 1.00 11.33 C ANISOU 148 CD2 PHE A 27 1085 1660 1561 -327 286 -392 C ATOM 149 CE1 PHE A 27 41.913 63.096 6.603 1.00 12.14 C ANISOU 149 CE1 PHE A 27 1181 2009 1424 -155 219 -343 C ATOM 150 CE2 PHE A 27 42.709 63.889 8.710 1.00 11.16 C ANISOU 150 CE2 PHE A 27 1262 1681 1297 -112 240 -167 C ATOM 151 CZ PHE A 27 42.887 63.103 7.589 1.00 11.13 C ANISOU 151 CZ PHE A 27 1036 1899 1294 -129 370 -150 C ATOM 0 H PHE A 27 40.725 67.967 8.008 1.00 12.58 H new ATOM 0 HA PHE A 27 39.432 66.433 6.137 1.00 12.38 H new ATOM 0 HB2 PHE A 27 39.387 65.938 8.918 1.00 12.55 H new ATOM 0 HB3 PHE A 27 38.605 65.106 7.855 1.00 12.55 H new ATOM 0 HD1 PHE A 27 40.146 63.904 6.076 1.00 11.77 H new ATOM 0 HD2 PHE A 27 41.437 65.147 9.627 1.00 11.33 H new ATOM 0 HE1 PHE A 27 42.010 62.556 5.852 1.00 12.14 H new ATOM 0 HE2 PHE A 27 43.361 63.904 9.373 1.00 11.16 H new ATOM 0 HZ PHE A 27 43.653 62.583 7.496 1.00 11.13 H new ATOM 161 N PRO A 28 38.116 68.687 6.334 1.00 12.50 N ANISOU 161 N PRO A 28 1189 2024 1538 -144 509 -53 N ATOM 162 CA PRO A 28 37.105 69.720 6.601 1.00 12.17 C ANISOU 162 CA PRO A 28 1364 1579 1680 -273 350 -371 C ATOM 163 C PRO A 28 35.679 69.215 6.606 1.00 10.47 C ANISOU 163 C PRO A 28 1220 1540 1218 -169 300 -409 C ATOM 164 O PRO A 28 34.773 69.937 7.026 1.00 10.88 O ANISOU 164 O PRO A 28 1375 1298 1462 -166 234 -161 O ATOM 165 CB PRO A 28 37.313 70.707 5.459 1.00 15.01 C ANISOU 165 CB PRO A 28 1702 1823 2177 -168 608 26 C ATOM 166 CG PRO A 28 38.005 70.006 4.387 1.00 16.62 C ANISOU 166 CG PRO A 28 2321 2152 1843 150 587 221 C ATOM 167 CD PRO A 28 38.795 68.918 5.042 1.00 13.30 C ANISOU 167 CD PRO A 28 1374 2134 1543 -119 514 0 C ATOM 0 HA PRO A 28 37.218 70.092 7.489 1.00 12.17 H new ATOM 0 HB2 PRO A 28 36.461 71.050 5.147 1.00 15.01 H new ATOM 0 HB3 PRO A 28 37.833 71.469 5.758 1.00 15.01 H new ATOM 0 HG2 PRO A 28 37.373 69.639 3.749 1.00 16.62 H new ATOM 0 HG3 PRO A 28 38.586 70.609 3.897 1.00 16.62 H new ATOM 0 HD2 PRO A 28 38.804 68.114 4.500 1.00 13.30 H new ATOM 0 HD3 PRO A 28 39.719 69.183 5.172 1.00 13.30 H new ATOM 175 N TYR A 29 35.481 67.986 6.147 1.00 10.11 N ANISOU 175 N TYR A 29 1093 1485 1265 -230 639 -218 N ATOM 176 CA TYR A 29 34.181 67.359 6.144 1.00 9.40 C ANISOU 176 CA TYR A 29 960 1382 1228 -90 480 187 C ATOM 177 C TYR A 29 33.824 66.604 7.430 1.00 8.85 C ANISOU 177 C TYR A 29 865 1375 1123 -236 296 257 C ATOM 178 O TYR A 29 32.695 66.185 7.578 1.00 9.52 O ANISOU 178 O TYR A 29 839 1682 1096 -247 356 271 O ATOM 179 CB TYR A 29 34.178 66.371 4.992 1.00 10.15 C ANISOU 179 CB TYR A 29 1058 1612 1187 -55 347 -230 C ATOM 180 CG TYR A 29 35.310 65.375 4.976 1.00 9.84 C ANISOU 180 CG TYR A 29 1016 1418 1303 -138 480 -265 C ATOM 181 CD1 TYR A 29 35.233 64.197 5.705 1.00 9.68 C ANISOU 181 CD1 TYR A 29 1180 1391 1108 -191 388 -319 C ATOM 182 CD2 TYR A 29 36.448 65.612 4.224 1.00 10.37 C ANISOU 182 CD2 TYR A 29 1241 1686 1013 -207 595 -407 C ATOM 183 CE1 TYR A 29 36.260 63.259 5.700 1.00 9.19 C ANISOU 183 CE1 TYR A 29 1106 1299 1087 -269 393 -345 C ATOM 184 CE2 TYR A 29 37.471 64.668 4.203 1.00 10.43 C ANISOU 184 CE2 TYR A 29 1114 1646 1203 -298 681 -366 C ATOM 185 CZ TYR A 29 37.393 63.520 4.937 1.00 10.32 C ANISOU 185 CZ TYR A 29 1143 1683 1095 -302 413 -377 C ATOM 186 OH TYR A 29 38.431 62.589 4.885 1.00 10.30 O ANISOU 186 OH TYR A 29 947 1776 1191 -349 331 419 O ATOM 0 H TYR A 29 36.108 67.492 5.826 1.00 10.11 H new ATOM 0 HA TYR A 29 33.519 68.064 6.063 1.00 9.40 H new ATOM 0 HB2 TYR A 29 33.340 65.882 5.010 1.00 10.15 H new ATOM 0 HB3 TYR A 29 34.197 66.870 4.160 1.00 10.15 H new ATOM 0 HD1 TYR A 29 34.472 64.030 6.212 1.00 9.68 H new ATOM 0 HD2 TYR A 29 36.529 66.399 3.735 1.00 10.37 H new ATOM 0 HE1 TYR A 29 36.191 62.475 6.196 1.00 9.19 H new ATOM 0 HE2 TYR A 29 38.223 64.823 3.678 1.00 10.43 H new ATOM 0 HH TYR A 29 38.291 61.981 5.448 1.00 10.30 H new ATOM 195 N GLN A 30 34.790 66.423 8.333 1.00 9.10 N ANISOU 195 N GLN A 30 814 1570 1076 -113 307 361 N ATOM 196 CA GLN A 30 34.546 65.676 9.555 1.00 9.46 C ANISOU 196 CA GLN A 30 1056 1591 949 -226 204 -422 C ATOM 197 C GLN A 30 33.687 66.456 10.519 1.00 9.49 C ANISOU 197 C GLN A 30 979 1591 1037 -260 298 306 C ATOM 198 O GLN A 30 33.954 67.648 10.772 1.00 11.15 O ANISOU 198 O GLN A 30 1300 1658 1279 -249 521 -622 O ATOM 199 CB GLN A 30 35.871 65.401 10.264 1.00 10.75 C ANISOU 199 CB GLN A 30 1040 2155 890 -42 305 -309 C ATOM 200 CG GLN A 30 35.726 64.692 11.611 1.00 9.96 C ANISOU 200 CG GLN A 30 936 1833 1014 -213 134 333 C ATOM 201 CD GLN A 30 35.385 63.219 11.534 1.00 10.99 C ANISOU 201 CD GLN A 30 1354 1907 916 -438 188 -660 C ATOM 202 OE1 GLN A 30 36.051 62.464 10.828 1.00 14.16 O ANISOU 202 OE1 GLN A 30 1512 2150 1717 -396 463 -926 O ATOM 203 NE2 GLN A 30 34.356 62.790 12.245 1.00 11.82 N ANISOU 203 NE2 GLN A 30 1330 1763 1397 -316 281 -524 N ATOM 0 H GLN A 30 35.591 66.726 8.252 1.00 9.10 H new ATOM 0 HA GLN A 30 34.096 64.855 9.302 1.00 9.46 H new ATOM 0 HB2 GLN A 30 36.430 64.861 9.684 1.00 10.75 H new ATOM 0 HB3 GLN A 30 36.334 66.242 10.401 1.00 10.75 H new ATOM 0 HG2 GLN A 30 36.556 64.791 12.103 1.00 9.96 H new ATOM 0 HG3 GLN A 30 35.037 65.142 12.124 1.00 9.96 H new ATOM 0 HE21 GLN A 30 33.909 63.342 12.730 1.00 11.82 H new ATOM 0 HE22 GLN A 30 34.134 61.959 12.223 1.00 11.82 H new ATOM 212 N LEU A 31 32.663 65.832 11.079 1.00 9.42 N ANISOU 212 N LEU A 31 959 1621 999 -148 308 408 N ATOM 213 CA LEU A 31 31.815 66.352 12.135 1.00 9.11 C ANISOU 213 CA LEU A 31 864 1426 1170 -105 335 553 C ATOM 214 C LEU A 31 31.920 65.531 13.411 1.00 8.78 C ANISOU 214 C LEU A 31 707 1585 1045 -209 436 577 C ATOM 215 O LEU A 31 32.081 64.307 13.372 1.00 9.21 O ANISOU 215 O LEU A 31 835 1681 983 -161 263 383 O ATOM 216 CB LEU A 31 30.350 66.398 11.671 1.00 10.14 C ANISOU 216 CB LEU A 31 895 1682 1275 -276 316 503 C ATOM 217 CG LEU A 31 30.074 67.193 10.402 1.00 10.64 C ANISOU 217 CG LEU A 31 1034 1573 1436 -103 142 -483 C ATOM 218 CD1 LEU A 31 28.624 66.996 9.964 1.00 11.77 C ANISOU 218 CD1 LEU A 31 996 1843 1634 -314 246 243 C ATOM 219 CD2 LEU A 31 30.430 68.671 10.558 1.00 10.88 C ANISOU 219 CD2 LEU A 31 1140 1647 1348 -251 425 -500 C ATOM 0 H LEU A 31 32.430 65.041 10.835 1.00 9.42 H new ATOM 0 HA LEU A 31 32.125 67.250 12.332 1.00 9.11 H new ATOM 0 HB2 LEU A 31 30.045 65.488 11.533 1.00 10.14 H new ATOM 0 HB3 LEU A 31 29.814 66.772 12.388 1.00 10.14 H new ATOM 0 HG LEU A 31 30.652 66.852 9.702 1.00 10.64 H new ATOM 0 HD11 LEU A 31 28.458 67.506 9.156 1.00 11.77 H new ATOM 0 HD12 LEU A 31 28.463 66.055 9.791 1.00 11.77 H new ATOM 0 HD13 LEU A 31 28.029 67.302 10.667 1.00 11.77 H new ATOM 0 HD21 LEU A 31 30.240 69.139 9.730 1.00 10.88 H new ATOM 0 HD22 LEU A 31 29.904 69.057 11.276 1.00 10.88 H new ATOM 0 HD23 LEU A 31 31.373 68.756 10.768 1.00 10.88 H new ATOM 231 N SER A 32 31.719 66.203 14.538 1.00 10.02 N ANISOU 231 N SER A 32 877 1747 1184 -293 331 630 N ATOM 232 CA SER A 32 31.407 65.600 15.814 1.00 10.63 C ANISOU 232 CA SER A 32 956 2042 1039 -326 448 733 C ATOM 233 C SER A 32 29.878 65.656 16.032 1.00 9.33 C ANISOU 233 C SER A 32 832 1677 1035 -300 112 451 C ATOM 234 O SER A 32 29.293 66.725 15.973 1.00 11.79 O ANISOU 234 O SER A 32 1296 1676 1508 -170 548 -484 O ATOM 235 CB SER A 32 32.136 66.308 16.984 1.00 10.74 C ANISOU 235 CB SER A 32 842 2081 1159 -353 337 642 C ATOM 236 OG SER A 32 31.746 65.731 18.227 1.00 12.25 O ANISOU 236 OG SER A 32 1336 2319 999 -373 542 -764 O ATOM 0 H SER A 32 31.764 67.061 14.576 1.00 10.02 H new ATOM 0 HA SER A 32 31.713 64.680 15.801 1.00 10.63 H new ATOM 0 HB2 SER A 32 33.096 66.230 16.870 1.00 10.74 H new ATOM 0 HB3 SER A 32 31.926 67.255 16.979 1.00 10.74 H new ATOM 0 HG SER A 32 31.915 64.908 18.219 1.00 12.25 H new ATOM 241 N PHE A 33 29.264 64.520 16.297 1.00 9.29 N ANISOU 241 N PHE A 33 969 1663 895 -268 489 648 N ATOM 242 CA PHE A 33 27.838 64.405 16.596 1.00 8.83 C ANISOU 242 CA PHE A 33 824 1651 882 -194 237 490 C ATOM 243 C PHE A 33 27.710 64.260 18.115 1.00 9.73 C ANISOU 243 C PHE A 33 828 1999 871 -99 448 413 C ATOM 244 O PHE A 33 28.231 63.287 18.700 1.00 10.05 O ANISOU 244 O PHE A 33 871 2011 936 -204 310 402 O ATOM 245 CB PHE A 33 27.272 63.235 15.818 1.00 10.29 C ANISOU 245 CB PHE A 33 960 1850 1101 -281 382 712 C ATOM 246 CG PHE A 33 25.756 63.059 15.784 1.00 9.19 C ANISOU 246 CG PHE A 33 984 1551 956 -279 258 424 C ATOM 247 CD1 PHE A 33 24.890 64.039 16.236 1.00 10.76 C ANISOU 247 CD1 PHE A 33 1053 2055 979 -30 428 -439 C ATOM 248 CD2 PHE A 33 25.265 61.872 15.243 1.00 10.91 C ANISOU 248 CD2 PHE A 33 1267 1985 892 -603 372 -621 C ATOM 249 CE1 PHE A 33 23.529 63.834 16.155 1.00 10.89 C ANISOU 249 CE1 PHE A 33 1106 1891 1140 -46 152 -499 C ATOM 250 CE2 PHE A 33 23.892 61.659 15.212 1.00 11.24 C ANISOU 250 CE2 PHE A 33 1155 1748 1366 -399 201 -551 C ATOM 251 CZ PHE A 33 23.027 62.639 15.669 1.00 12.25 C ANISOU 251 CZ PHE A 33 1532 1761 1360 -192 314 -336 C ATOM 0 H PHE A 33 29.674 63.764 16.310 1.00 9.29 H new ATOM 0 HA PHE A 33 27.326 65.183 16.326 1.00 8.83 H new ATOM 0 HB2 PHE A 33 27.582 63.310 14.902 1.00 10.29 H new ATOM 0 HB3 PHE A 33 27.657 62.423 16.182 1.00 10.29 H new ATOM 0 HD1 PHE A 33 25.224 64.831 16.592 1.00 10.76 H new ATOM 0 HD2 PHE A 33 25.849 61.231 14.907 1.00 10.91 H new ATOM 0 HE1 PHE A 33 22.944 64.503 16.429 1.00 10.89 H new ATOM 0 HE2 PHE A 33 23.554 60.857 14.884 1.00 11.24 H new ATOM 0 HZ PHE A 33 22.109 62.494 15.649 1.00 12.25 H new ATOM 261 N GLN A 34 27.056 65.250 18.734 1.00 10.66 N ANISOU 261 N GLN A 34 1124 2049 876 -52 343 -460 N ATOM 262 CA GLN A 34 27.011 65.404 20.167 1.00 10.69 C ANISOU 262 CA GLN A 34 1015 2090 958 -188 330 -707 C ATOM 263 C GLN A 34 25.608 65.453 20.746 1.00 10.43 C ANISOU 263 C GLN A 34 1028 1894 1042 -210 359 -586 C ATOM 264 O GLN A 34 24.657 65.905 20.109 1.00 11.37 O ANISOU 264 O GLN A 34 1054 2062 1204 -114 347 -432 O ATOM 265 CB GLN A 34 27.738 66.706 20.578 1.00 12.57 C ANISOU 265 CB GLN A 34 1270 2337 1170 -547 432 -591 C ATOM 266 CG GLN A 34 29.175 66.714 20.073 1.00 14.74 C ANISOU 266 CG GLN A 34 1331 2272 1997 -557 508 -711 C ATOM 267 CD GLN A 34 29.922 67.971 20.435 1.00 12.84 C ANISOU 267 CD GLN A 34 1173 2141 1563 -373 502 -738 C ATOM 268 OE1 GLN A 34 29.440 68.911 21.038 1.00 15.00 O ANISOU 268 OE1 GLN A 34 1560 2475 1663 -227 547 1002 O ATOM 269 NE2 GLN A 34 31.187 67.952 20.043 1.00 13.38 N ANISOU 269 NE2 GLN A 34 1084 2170 1829 -334 347 1005 N ATOM 0 H GLN A 34 26.620 65.858 18.311 1.00 10.66 H new ATOM 0 HA GLN A 34 27.446 64.614 20.524 1.00 10.69 H new ATOM 0 HB2 GLN A 34 27.262 67.472 20.221 1.00 12.57 H new ATOM 0 HB3 GLN A 34 27.731 66.793 21.544 1.00 12.57 H new ATOM 0 HG2 GLN A 34 29.645 65.948 20.439 1.00 14.74 H new ATOM 0 HG3 GLN A 34 29.174 66.612 19.108 1.00 14.74 H new ATOM 0 HE21 GLN A 34 31.495 67.271 19.618 1.00 13.38 H new ATOM 0 HE22 GLN A 34 31.700 68.621 20.213 1.00 13.38 H new ATOM 278 N GLU A 35 25.505 64.984 21.970 1.00 10.81 N ANISOU 278 N GLU A 35 894 2046 1169 80 404 436 N ATOM 279 CA GLU A 35 24.248 65.109 22.731 1.00 12.69 C ANISOU 279 CA GLU A 35 1260 2367 1196 -80 694 -608 C ATOM 280 C GLU A 35 24.532 65.979 23.944 1.00 12.04 C ANISOU 280 C GLU A 35 1075 2295 1205 73 466 -538 C ATOM 281 O GLU A 35 25.590 65.851 24.585 1.00 14.94 O ANISOU 281 O GLU A 35 1399 2772 1507 413 197 -614 O ATOM 282 CB GLU A 35 23.671 63.760 23.081 1.00 14.83 C ANISOU 282 CB GLU A 35 1349 2517 1768 -371 760 -678 C ATOM 283 CG GLU A 35 24.583 62.817 23.798 1.00 20.36 C ANISOU 283 CG GLU A 35 2495 2729 2511 96 807 -22 C ATOM 284 CD GLU A 35 24.266 61.347 23.643 1.00 24.52 C ANISOU 284 CD GLU A 35 3056 2846 3415 -53 -143 -160 C ATOM 285 OE1 GLU A 35 23.360 60.961 22.872 1.00 33.05 O ANISOU 285 OE1 GLU A 35 3864 4284 4410 -754 -765 -363 O ATOM 286 OE2 GLU A 35 24.941 60.546 24.335 1.00 27.02 O ANISOU 286 OE2 GLU A 35 3844 2925 3499 0 114 431 O ATOM 0 H GLU A 35 26.142 64.588 22.391 1.00 10.81 H new ATOM 0 HA GLU A 35 23.561 65.534 22.193 1.00 12.69 H new ATOM 0 HB2 GLU A 35 22.883 63.899 23.630 1.00 14.83 H new ATOM 0 HB3 GLU A 35 23.375 63.334 22.262 1.00 14.83 H new ATOM 0 HG2 GLU A 35 25.489 62.970 23.486 1.00 20.36 H new ATOM 0 HG3 GLU A 35 24.568 63.036 24.743 1.00 20.36 H new ATOM 293 N THR A 36 23.625 66.879 24.244 1.00 11.91 N ANISOU 293 N THR A 36 1161 2205 1159 67 462 -534 N ATOM 294 CA THR A 36 23.813 67.786 25.373 1.00 12.08 C ANISOU 294 CA THR A 36 1227 2199 1165 -5 406 -545 C ATOM 295 C THR A 36 23.058 67.263 26.587 1.00 11.88 C ANISOU 295 C THR A 36 1224 2134 1157 200 437 -345 C ATOM 296 O THR A 36 21.868 66.879 26.531 1.00 12.09 O ANISOU 296 O THR A 36 1209 2171 1214 211 442 -312 O ATOM 297 CB THR A 36 23.345 69.196 24.975 1.00 12.98 C ANISOU 297 CB THR A 36 1610 2038 1282 -359 200 -411 C ATOM 298 OG1 THR A 36 22.038 69.118 24.386 1.00 14.08 O ANISOU 298 OG1 THR A 36 1570 2300 1480 22 200 -318 O ATOM 299 CG2 THR A 36 24.329 69.766 23.961 1.00 15.32 C ANISOU 299 CG2 THR A 36 1779 2577 1464 -199 469 -228 C ATOM 0 H THR A 36 22.889 66.989 23.812 1.00 11.91 H new ATOM 0 HA THR A 36 24.752 67.834 25.610 1.00 12.08 H new ATOM 0 HB THR A 36 23.307 69.768 25.758 1.00 12.98 H new ATOM 0 HG1 THR A 36 21.782 69.888 24.170 1.00 14.08 H new ATOM 0 HG21 THR A 36 24.046 70.656 23.700 1.00 15.32 H new ATOM 0 HG22 THR A 36 25.213 69.811 24.358 1.00 15.32 H new ATOM 0 HG23 THR A 36 24.355 69.194 23.178 1.00 15.32 H new ATOM 306 N PHE A 37 23.767 67.251 27.720 1.00 13.36 N ANISOU 306 N PHE A 37 1222 2489 1366 290 317 -133 N ATOM 307 CA PHE A 37 23.281 66.878 29.034 1.00 13.79 C ANISOU 307 CA PHE A 37 1541 2444 1254 112 135 -93 C ATOM 308 C PHE A 37 23.673 67.930 30.056 1.00 14.99 C ANISOU 308 C PHE A 37 1757 2662 1277 -48 -45 -102 C ATOM 309 O PHE A 37 24.444 68.855 29.766 1.00 17.56 O ANISOU 309 O PHE A 37 1980 3104 1588 -438 243 -496 O ATOM 310 CB PHE A 37 23.959 65.580 29.473 1.00 19.71 C ANISOU 310 CB PHE A 37 2918 2601 1969 492 327 272 C ATOM 311 CG PHE A 37 23.673 64.387 28.611 1.00 22.89 C ANISOU 311 CG PHE A 37 3412 2480 2805 428 233 60 C ATOM 312 CD1 PHE A 37 22.418 63.843 28.504 1.00 25.93 C ANISOU 312 CD1 PHE A 37 3479 3022 3353 301 -35 -249 C ATOM 313 CD2 PHE A 37 24.706 63.823 27.868 1.00 26.22 C ANISOU 313 CD2 PHE A 37 3787 3017 3157 237 490 -571 C ATOM 314 CE1 PHE A 37 22.190 62.744 27.679 1.00 28.18 C ANISOU 314 CE1 PHE A 37 3564 3380 3764 420 -206 -647 C ATOM 315 CE2 PHE A 37 24.502 62.705 27.083 1.00 28.39 C ANISOU 315 CE2 PHE A 37 3859 3490 3439 128 331 -938 C ATOM 316 CZ PHE A 37 23.230 62.150 26.982 1.00 29.15 C ANISOU 316 CZ PHE A 37 3790 3793 3492 135 78 -811 C ATOM 0 H PHE A 37 24.597 67.476 27.733 1.00 13.36 H new ATOM 0 HA PHE A 37 22.317 66.784 28.984 1.00 13.79 H new ATOM 0 HB2 PHE A 37 24.918 65.724 29.493 1.00 19.71 H new ATOM 0 HB3 PHE A 37 23.683 65.379 30.381 1.00 19.71 H new ATOM 0 HD1 PHE A 37 21.713 64.211 28.986 1.00 25.93 H new ATOM 0 HD2 PHE A 37 25.552 64.207 27.901 1.00 26.22 H new ATOM 0 HE1 PHE A 37 21.328 62.404 27.595 1.00 28.18 H new ATOM 0 HE2 PHE A 37 25.214 62.324 26.622 1.00 28.39 H new ATOM 0 HZ PHE A 37 23.081 61.396 26.458 1.00 29.15 H new ATOM 326 N ILE A 37A 23.197 67.815 31.295 1.00 15.01 N ANISOU 326 N ILE A 37A 1860 2255 1589 143 402 -457 N ATOM 327 CA ILE A 37A 23.611 68.750 32.327 1.00 15.23 C ANISOU 327 CA ILE A 37A 1849 2235 1701 357 381 -616 C ATOM 328 C ILE A 37A 25.125 68.769 32.479 1.00 17.32 C ANISOU 328 C ILE A 37A 1973 2850 1759 296 -45 -379 C ATOM 329 O ILE A 37A 25.721 67.723 32.726 1.00 21.44 O ANISOU 329 O ILE A 37A 2247 3299 2602 882 -96 -632 O ATOM 330 CB ILE A 37A 22.916 68.414 33.665 1.00 19.02 C ANISOU 330 CB ILE A 37A 2601 2944 1680 -143 439 -544 C ATOM 331 CG1 ILE A 37A 21.368 68.451 33.523 1.00 21.14 C ANISOU 331 CG1 ILE A 37A 2513 3389 2129 -1058 694 -550 C ATOM 332 CG2 ILE A 37A 23.422 69.295 34.810 1.00 18.58 C ANISOU 332 CG2 ILE A 37A 2614 3022 1423 233 -125 -210 C ATOM 333 CD1 ILE A 37A 20.631 67.826 34.690 1.00 28.05 C ANISOU 333 CD1 ILE A 37A 3536 3931 3190 -862 1246 365 C ATOM 0 H ILE A 37A 22.642 67.211 31.552 1.00 15.01 H new ATOM 0 HA ILE A 37A 23.338 69.641 32.058 1.00 15.23 H new ATOM 0 HB ILE A 37A 23.156 67.504 33.899 1.00 19.02 H new ATOM 0 HG12 ILE A 37A 21.082 69.373 33.428 1.00 21.14 H new ATOM 0 HG13 ILE A 37A 21.115 67.990 32.708 1.00 21.14 H new ATOM 0 HG21 ILE A 37A 22.964 69.055 35.630 1.00 18.58 H new ATOM 0 HG22 ILE A 37A 24.376 69.163 34.923 1.00 18.58 H new ATOM 0 HG23 ILE A 37A 23.247 70.226 34.603 1.00 18.58 H new ATOM 0 HD11 ILE A 37A 19.675 67.883 34.537 1.00 28.05 H new ATOM 0 HD12 ILE A 37A 20.890 66.895 34.775 1.00 28.05 H new ATOM 0 HD13 ILE A 37A 20.856 68.299 35.506 1.00 28.05 H new ATOM 345 N GLY A 37B 25.694 69.956 32.304 1.00 19.39 N ANISOU 345 N GLY A 37B 2057 3247 2063 -153 -274 -617 N ATOM 346 CA GLY A 37B 27.084 70.219 32.468 1.00 21.49 C ANISOU 346 CA GLY A 37B 2095 3724 2347 -165 -182 -546 C ATOM 347 C GLY A 37B 27.988 69.878 31.314 1.00 21.46 C ANISOU 347 C GLY A 37B 2219 3362 2572 -460 90 -551 C ATOM 348 O GLY A 37B 29.209 70.202 31.362 1.00 25.32 O ANISOU 348 O GLY A 37B 2041 4333 3245 -332 -84 -493 O ATOM 0 H GLY A 37B 25.245 70.653 32.076 1.00 19.39 H new ATOM 0 HA2 GLY A 37B 27.190 71.163 32.665 1.00 21.49 H new ATOM 0 HA3 GLY A 37B 27.393 69.730 33.247 1.00 21.49 H new ATOM 352 N PHE A 37C 27.467 69.255 30.261 1.00 22.12 N ANISOU 352 N PHE A 37C 2371 3744 2290 -316 76 -488 N ATOM 353 CA PHE A 37C 28.383 68.953 29.166 1.00 22.04 C ANISOU 353 CA PHE A 37C 2473 3755 2147 -319 178 -132 C ATOM 354 C PHE A 37C 27.667 68.532 27.885 1.00 21.03 C ANISOU 354 C PHE A 37C 2277 3295 2416 -673 495 -632 C ATOM 355 O PHE A 37C 26.499 68.150 27.790 1.00 20.76 O ANISOU 355 O PHE A 37C 1863 3252 2775 -87 719 1255 O ATOM 356 CB PHE A 37C 29.360 67.896 29.659 1.00 26.62 C ANISOU 356 CB PHE A 37C 3266 3968 2879 380 312 -214 C ATOM 357 CG PHE A 37C 28.894 66.458 29.708 1.00 31.96 C ANISOU 357 CG PHE A 37C 4062 3994 4088 240 193 57 C ATOM 358 CD1 PHE A 37C 29.432 65.547 28.801 1.00 33.20 C ANISOU 358 CD1 PHE A 37C 4379 3796 4439 102 -19 -277 C ATOM 359 CD2 PHE A 37C 27.959 66.067 30.660 1.00 34.33 C ANISOU 359 CD2 PHE A 37C 4288 4271 4484 -310 250 126 C ATOM 360 CE1 PHE A 37C 29.063 64.216 28.847 1.00 34.27 C ANISOU 360 CE1 PHE A 37C 4497 3958 4566 -170 -162 -56 C ATOM 361 CE2 PHE A 37C 27.561 64.742 30.685 1.00 34.93 C ANISOU 361 CE2 PHE A 37C 4318 4215 4737 -189 -38 139 C ATOM 362 CZ PHE A 37C 28.094 63.856 29.763 1.00 34.73 C ANISOU 362 CZ PHE A 37C 4342 4316 4538 -156 -275 46 C ATOM 0 H PHE A 37C 26.648 69.013 30.161 1.00 22.12 H new ATOM 0 HA PHE A 37C 28.863 69.759 28.918 1.00 22.04 H new ATOM 0 HB2 PHE A 37C 30.147 67.933 29.093 1.00 26.62 H new ATOM 0 HB3 PHE A 37C 29.641 68.147 30.553 1.00 26.62 H new ATOM 0 HD1 PHE A 37C 30.042 65.836 28.162 1.00 33.20 H new ATOM 0 HD2 PHE A 37C 27.610 66.681 31.265 1.00 34.33 H new ATOM 0 HE1 PHE A 37C 29.452 63.587 28.283 1.00 34.27 H new ATOM 0 HE2 PHE A 37C 26.942 64.449 31.314 1.00 34.93 H new ATOM 0 HZ PHE A 37C 27.785 62.979 29.761 1.00 34.73 H new ATOM 372 N SER A 38 28.444 68.640 26.821 1.00 20.00 N ANISOU 372 N SER A 38 2084 3157 2359 -938 370 1073 N ATOM 373 CA SER A 38 28.114 68.212 25.474 1.00 18.66 C ANISOU 373 CA SER A 38 2016 2626 2448 -462 261 1186 C ATOM 374 C SER A 38 28.974 66.978 25.262 1.00 18.73 C ANISOU 374 C SER A 38 1757 2713 2646 -414 525 -768 C ATOM 375 O SER A 38 30.202 67.009 25.434 1.00 26.02 O ANISOU 375 O SER A 38 1885 3418 4582 -326 -119 1005 O ATOM 376 CB SER A 38 28.390 69.270 24.428 1.00 20.30 C ANISOU 376 CB SER A 38 2466 2781 2469 -81 314 -995 C ATOM 377 OG SER A 38 27.736 70.491 24.668 1.00 23.95 O ANISOU 377 OG SER A 38 2722 3126 3251 383 206 -760 O ATOM 0 H SER A 38 29.229 68.988 26.869 1.00 20.00 H new ATOM 0 HA SER A 38 27.165 68.035 25.379 1.00 18.66 H new ATOM 0 HB2 SER A 38 29.346 69.428 24.385 1.00 20.30 H new ATOM 0 HB3 SER A 38 28.119 68.933 23.560 1.00 20.30 H new ATOM 0 HG SER A 38 27.945 71.043 24.071 1.00 23.95 H new ATOM 382 N PHE A 39 28.346 65.897 24.880 1.00 14.47 N ANISOU 382 N PHE A 39 1491 2590 1416 -63 569 -734 N ATOM 383 CA PHE A 39 29.013 64.623 24.780 1.00 13.44 C ANISOU 383 CA PHE A 39 1171 2715 1221 5 193 -814 C ATOM 384 C PHE A 39 29.095 64.125 23.341 1.00 12.23 C ANISOU 384 C PHE A 39 1141 2350 1155 -132 208 -641 C ATOM 385 O PHE A 39 28.072 63.855 22.721 1.00 12.17 O ANISOU 385 O PHE A 39 990 2420 1214 -22 221 694 O ATOM 386 CB PHE A 39 28.305 63.591 25.643 1.00 14.67 C ANISOU 386 CB PHE A 39 1777 2786 1011 162 63 -475 C ATOM 387 CG PHE A 39 28.952 62.219 25.604 1.00 17.92 C ANISOU 387 CG PHE A 39 2188 2919 1701 384 5 -391 C ATOM 388 CD1 PHE A 39 30.162 62.001 26.240 1.00 19.70 C ANISOU 388 CD1 PHE A 39 2141 3119 2226 555 -75 -467 C ATOM 389 CD2 PHE A 39 28.359 61.155 24.926 1.00 18.43 C ANISOU 389 CD2 PHE A 39 2451 2783 1767 347 16 -416 C ATOM 390 CE1 PHE A 39 30.734 60.728 26.168 1.00 20.08 C ANISOU 390 CE1 PHE A 39 2608 2802 2221 406 -87 115 C ATOM 391 CE2 PHE A 39 28.922 59.917 24.848 1.00 19.43 C ANISOU 391 CE2 PHE A 39 2721 2844 1817 440 105 -308 C ATOM 392 CZ PHE A 39 30.137 59.694 25.474 1.00 21.24 C ANISOU 392 CZ PHE A 39 2817 2871 2383 496 -86 -92 C ATOM 0 H PHE A 39 27.513 65.877 24.668 1.00 14.47 H new ATOM 0 HA PHE A 39 29.921 64.749 25.098 1.00 13.44 H new ATOM 0 HB2 PHE A 39 28.287 63.906 26.560 1.00 14.67 H new ATOM 0 HB3 PHE A 39 27.383 63.514 25.351 1.00 14.67 H new ATOM 0 HD1 PHE A 39 30.585 62.687 26.705 1.00 19.70 H new ATOM 0 HD2 PHE A 39 27.541 61.297 24.507 1.00 18.43 H new ATOM 0 HE1 PHE A 39 31.542 60.572 26.601 1.00 20.08 H new ATOM 0 HE2 PHE A 39 28.498 59.233 24.382 1.00 19.43 H new ATOM 0 HZ PHE A 39 30.545 58.860 25.428 1.00 21.24 H new ATOM 402 N HIS A 40 30.330 64.007 22.866 1.00 11.96 N ANISOU 402 N HIS A 40 1059 2346 1139 -203 157 -782 N ATOM 403 CA HIS A 40 30.568 63.336 21.584 1.00 12.19 C ANISOU 403 CA HIS A 40 1179 2285 1166 -295 301 -745 C ATOM 404 C HIS A 40 30.202 61.877 21.670 1.00 11.00 C ANISOU 404 C HIS A 40 865 2183 1131 -32 52 623 C ATOM 405 O HIS A 40 30.841 61.149 22.427 1.00 13.47 O ANISOU 405 O HIS A 40 1332 2578 1209 14 -159 -496 O ATOM 406 CB HIS A 40 32.072 63.475 21.219 1.00 13.66 C ANISOU 406 CB HIS A 40 1302 2519 1367 -357 459 -745 C ATOM 407 CG HIS A 40 32.424 62.705 19.985 1.00 12.34 C ANISOU 407 CG HIS A 40 1082 2337 1268 -104 344 -562 C ATOM 408 ND1 HIS A 40 32.384 63.268 18.707 1.00 11.94 N ANISOU 408 ND1 HIS A 40 1109 2159 1270 -71 172 -638 N ATOM 409 CD2 HIS A 40 32.801 61.425 19.831 1.00 12.53 C ANISOU 409 CD2 HIS A 40 1020 2311 1429 -150 146 -462 C ATOM 410 CE1 HIS A 40 32.729 62.342 17.834 1.00 11.45 C ANISOU 410 CE1 HIS A 40 913 2070 1366 -33 275 601 C ATOM 411 NE2 HIS A 40 32.961 61.206 18.509 1.00 11.77 N ANISOU 411 NE2 HIS A 40 951 2132 1388 -162 394 504 N ATOM 0 H HIS A 40 31.036 64.302 23.260 1.00 11.96 H new ATOM 0 HA HIS A 40 30.016 63.749 20.901 1.00 12.19 H new ATOM 0 HB2 HIS A 40 32.286 64.412 21.087 1.00 13.66 H new ATOM 0 HB3 HIS A 40 32.614 63.162 21.960 1.00 13.66 H new ATOM 0 HD2 HIS A 40 32.928 60.803 20.511 1.00 12.53 H new ATOM 0 HE1 HIS A 40 32.799 62.456 16.914 1.00 11.45 H new ATOM 0 HE2 HIS A 40 33.178 60.454 18.154 1.00 11.77 H new ATOM 418 N PHE A 41 29.294 61.412 20.798 1.00 10.77 N ANISOU 418 N PHE A 41 919 2275 897 -172 161 590 N ATOM 419 CA PHE A 41 29.001 59.965 20.800 1.00 11.13 C ANISOU 419 CA PHE A 41 1029 2241 958 -122 79 -535 C ATOM 420 C PHE A 41 29.155 59.323 19.424 1.00 10.52 C ANISOU 420 C PHE A 41 1104 1944 950 -5 321 -378 C ATOM 421 O PHE A 41 29.176 58.095 19.338 1.00 12.43 O ANISOU 421 O PHE A 41 1803 1952 968 -65 397 -286 O ATOM 422 CB PHE A 41 27.586 59.717 21.319 1.00 10.96 C ANISOU 422 CB PHE A 41 1182 2077 908 -122 317 -502 C ATOM 423 CG PHE A 41 26.467 60.263 20.453 1.00 10.49 C ANISOU 423 CG PHE A 41 973 2008 1004 -270 314 564 C ATOM 424 CD1 PHE A 41 25.860 59.440 19.495 1.00 11.64 C ANISOU 424 CD1 PHE A 41 926 2281 1216 -174 298 779 C ATOM 425 CD2 PHE A 41 26.025 61.579 20.571 1.00 12.08 C ANISOU 425 CD2 PHE A 41 1257 2027 1307 -143 172 -453 C ATOM 426 CE1 PHE A 41 24.887 59.978 18.690 1.00 11.58 C ANISOU 426 CE1 PHE A 41 1031 2209 1162 -324 219 -620 C ATOM 427 CE2 PHE A 41 25.058 62.121 19.754 1.00 11.87 C ANISOU 427 CE2 PHE A 41 1110 1967 1433 -363 128 -387 C ATOM 428 CZ PHE A 41 24.483 61.303 18.789 1.00 12.17 C ANISOU 428 CZ PHE A 41 1133 2282 1211 -133 296 -680 C ATOM 0 H PHE A 41 28.858 61.885 20.227 1.00 10.77 H new ATOM 0 HA PHE A 41 29.654 59.552 21.386 1.00 11.13 H new ATOM 0 HB2 PHE A 41 27.458 58.761 21.420 1.00 10.96 H new ATOM 0 HB3 PHE A 41 27.510 60.108 22.203 1.00 10.96 H new ATOM 0 HD1 PHE A 41 26.111 58.549 19.407 1.00 11.64 H new ATOM 0 HD2 PHE A 41 26.400 62.116 21.231 1.00 12.08 H new ATOM 0 HE1 PHE A 41 24.483 59.434 18.053 1.00 11.58 H new ATOM 0 HE2 PHE A 41 24.797 63.009 19.845 1.00 11.87 H new ATOM 0 HZ PHE A 41 23.834 61.640 18.215 1.00 12.17 H new ATOM 438 N CYS A 42 29.248 60.070 18.344 1.00 9.98 N ANISOU 438 N CYS A 42 991 1815 987 -131 381 442 N ATOM 439 CA CYS A 42 29.322 59.529 16.984 1.00 10.34 C ANISOU 439 CA CYS A 42 1201 1757 970 -160 424 -579 C ATOM 440 C CYS A 42 30.070 60.562 16.128 1.00 8.80 C ANISOU 440 C CYS A 42 795 1721 826 -44 197 576 C ATOM 441 O CYS A 42 30.112 61.752 16.484 1.00 9.41 O ANISOU 441 O CYS A 42 933 1749 893 -106 304 579 O ATOM 442 CB CYS A 42 27.925 59.245 16.373 1.00 11.52 C ANISOU 442 CB CYS A 42 1339 2221 817 -551 501 -546 C ATOM 443 SG CYS A 42 27.297 57.570 16.757 1.00 11.98 S ANISOU 443 SG CYS A 42 1204 2009 1338 -244 305 -400 S ATOM 0 H CYS A 42 29.271 60.929 18.372 1.00 9.98 H new ATOM 0 HA CYS A 42 29.783 58.676 17.007 1.00 10.34 H new ATOM 0 HB2 CYS A 42 27.294 59.904 16.703 1.00 11.52 H new ATOM 0 HB3 CYS A 42 27.971 59.354 15.410 1.00 11.52 H new ATOM 448 N GLY A 43 30.594 60.145 14.997 1.00 8.92 N ANISOU 448 N GLY A 43 873 1723 793 -59 215 430 N ATOM 449 CA GLY A 43 31.010 61.050 13.939 1.00 9.23 C ANISOU 449 CA GLY A 43 649 1821 1039 -104 318 295 C ATOM 450 C GLY A 43 29.903 61.249 12.923 1.00 8.89 C ANISOU 450 C GLY A 43 830 1578 972 -179 200 300 C ATOM 451 O GLY A 43 28.863 60.587 12.955 1.00 9.20 O ANISOU 451 O GLY A 43 844 1793 859 -248 233 412 O ATOM 0 H GLY A 43 30.722 59.315 14.814 1.00 8.92 H new ATOM 0 HA2 GLY A 43 31.260 61.906 14.321 1.00 9.23 H new ATOM 0 HA3 GLY A 43 31.798 60.696 13.498 1.00 9.23 H new ATOM 455 N ALA A 44 30.171 62.147 11.990 1.00 8.77 N ANISOU 455 N ALA A 44 755 1722 856 -158 369 352 N ATOM 456 CA ALA A 44 29.327 62.391 10.820 1.00 8.12 C ANISOU 456 CA ALA A 44 764 1316 1004 -129 317 240 C ATOM 457 C ALA A 44 30.199 63.090 9.787 1.00 8.57 C ANISOU 457 C ALA A 44 849 1411 996 -189 322 216 C ATOM 458 O ALA A 44 31.327 63.477 10.079 1.00 9.57 O ANISOU 458 O ALA A 44 952 1744 940 -361 413 419 O ATOM 459 CB ALA A 44 28.091 63.183 11.222 1.00 9.70 C ANISOU 459 CB ALA A 44 868 1682 1136 -73 429 410 C ATOM 0 H ALA A 44 30.869 62.649 12.016 1.00 8.77 H new ATOM 0 HA ALA A 44 28.986 61.570 10.431 1.00 8.12 H new ATOM 0 HB1 ALA A 44 27.538 63.340 10.440 1.00 9.70 H new ATOM 0 HB2 ALA A 44 27.585 62.681 11.880 1.00 9.70 H new ATOM 0 HB3 ALA A 44 28.361 64.034 11.602 1.00 9.70 H new ATOM 465 N SER A 45 29.651 63.274 8.607 1.00 9.05 N ANISOU 465 N SER A 45 916 1519 1003 -233 328 194 N ATOM 466 CA SER A 45 30.302 63.887 7.476 1.00 9.06 C ANISOU 466 CA SER A 45 848 1522 1073 -103 397 -90 C ATOM 467 C SER A 45 29.409 64.954 6.821 1.00 9.58 C ANISOU 467 C SER A 45 899 1511 1232 -103 311 -87 C ATOM 468 O SER A 45 28.207 64.721 6.696 1.00 9.85 O ANISOU 468 O SER A 45 839 1468 1436 -78 334 201 O ATOM 469 CB SER A 45 30.648 62.865 6.362 1.00 9.64 C ANISOU 469 CB SER A 45 1062 1481 1121 -175 477 -131 C ATOM 470 OG SER A 45 31.522 61.879 6.848 1.00 11.09 O ANISOU 470 OG SER A 45 985 1830 1398 44 445 247 O ATOM 0 H SER A 45 28.844 63.031 8.435 1.00 9.05 H new ATOM 0 HA SER A 45 31.113 64.278 7.837 1.00 9.06 H new ATOM 0 HB2 SER A 45 29.835 62.450 6.033 1.00 9.64 H new ATOM 0 HB3 SER A 45 31.056 63.324 5.611 1.00 9.64 H new ATOM 0 HG SER A 45 31.079 61.214 7.107 1.00 11.09 H new ATOM 475 N ILE A 46 30.005 66.043 6.359 1.00 9.20 N ANISOU 475 N ILE A 46 906 1520 1068 -123 301 -76 N ATOM 476 CA ILE A 46 29.247 67.067 5.683 1.00 9.23 C ANISOU 476 CA ILE A 46 788 1516 1203 -190 312 -22 C ATOM 477 C ILE A 46 28.902 66.628 4.260 1.00 8.44 C ANISOU 477 C ILE A 46 790 1245 1171 -98 366 0 C ATOM 478 O ILE A 46 29.797 66.356 3.461 1.00 10.39 O ANISOU 478 O ILE A 46 975 1584 1388 -142 457 235 O ATOM 479 CB ILE A 46 30.014 68.405 5.655 1.00 9.57 C ANISOU 479 CB ILE A 46 991 1517 1128 -263 326 -44 C ATOM 480 CG1 ILE A 46 30.346 68.952 7.024 1.00 10.99 C ANISOU 480 CG1 ILE A 46 1218 1588 1368 -222 429 -324 C ATOM 481 CG2 ILE A 46 29.247 69.423 4.826 1.00 12.17 C ANISOU 481 CG2 ILE A 46 1410 1646 1567 58 560 251 C ATOM 482 CD1 ILE A 46 31.201 70.177 7.066 1.00 10.76 C ANISOU 482 CD1 ILE A 46 1104 1488 1495 -142 354 -317 C ATOM 0 H ILE A 46 30.847 66.203 6.429 1.00 9.20 H new ATOM 0 HA ILE A 46 28.424 67.201 6.179 1.00 9.23 H new ATOM 0 HB ILE A 46 30.872 68.225 5.239 1.00 9.57 H new ATOM 0 HG12 ILE A 46 29.514 69.147 7.482 1.00 10.99 H new ATOM 0 HG13 ILE A 46 30.791 68.254 7.530 1.00 10.99 H new ATOM 0 HG21 ILE A 46 29.734 70.262 4.812 1.00 12.17 H new ATOM 0 HG22 ILE A 46 29.147 69.093 3.920 1.00 12.17 H new ATOM 0 HG23 ILE A 46 28.371 69.565 5.217 1.00 12.17 H new ATOM 0 HD11 ILE A 46 31.349 70.437 7.989 1.00 10.76 H new ATOM 0 HD12 ILE A 46 32.054 69.991 6.642 1.00 10.76 H new ATOM 0 HD13 ILE A 46 30.756 70.899 6.594 1.00 10.76 H new ATOM 494 N TYR A 47 27.608 66.617 3.931 1.00 9.50 N ANISOU 494 N TYR A 47 857 1542 1212 -124 271 -18 N ATOM 495 CA TYR A 47 27.158 66.392 2.572 1.00 10.13 C ANISOU 495 CA TYR A 47 46 1596 1206 -79 276 -95 C ATOM 496 C TYR A 47 26.942 67.700 1.833 1.00 11.26 C ANISOU 496 C TYR A 47 1406 1594 1280 -65 227 -45 C ATOM 497 O TYR A 47 27.417 67.866 0.707 1.00 10.96 O ANISOU 497 O TYR A 47 1372 1510 1284 -18 141 -31 O ATOM 498 CB TYR A 47 25.858 65.573 2.560 1.00 10.95 C ANISOU 498 CB TYR A 47 1046 1663 1449 -107 57 -142 C ATOM 499 CG TYR A 47 25.282 65.431 1.173 1.00 11.93 C ANISOU 499 CG TYR A 47 1323 1777 1433 -83 -14 -70 C ATOM 500 CD1 TYR A 47 25.986 64.760 0.196 1.00 12.14 C ANISOU 500 CD1 TYR A 47 1424 1611 1577 -152 -20 -242 C ATOM 501 CD2 TYR A 47 24.047 65.984 0.835 1.00 13.30 C ANISOU 501 CD2 TYR A 47 1198 2242 1614 -59 0 -17 C ATOM 502 CE1 TYR A 47 25.501 64.633 -1.061 1.00 13.88 C ANISOU 502 CE1 TYR A 47 1866 2002 1406 -113 75 -42 C ATOM 503 CE2 TYR A 47 23.544 65.858 -0.436 1.00 14.72 C ANISOU 503 CE2 TYR A 47 1421 2356 1815 -190 -245 -41 C ATOM 504 CZ TYR A 47 24.267 65.173 -1.381 1.00 14.13 C ANISOU 504 CZ TYR A 47 1804 1929 1636 -295 -194 9 C ATOM 505 OH TYR A 47 23.782 65.022 -2.671 1.00 19.86 O ANISOU 505 OH TYR A 47 2803 2746 1997 60 -745 -416 O ATOM 0 H TYR A 47 26.972 66.741 4.496 1.00 9.50 H new ATOM 0 HA TYR A 47 27.855 65.894 2.116 1.00 10.13 H new ATOM 0 HB2 TYR A 47 26.030 64.692 2.928 1.00 10.95 H new ATOM 0 HB3 TYR A 47 25.205 65.999 3.137 1.00 10.95 H new ATOM 0 HD1 TYR A 47 26.812 64.387 0.405 1.00 12.14 H new ATOM 0 HD2 TYR A 47 23.558 66.444 1.479 1.00 13.30 H new ATOM 0 HE1 TYR A 47 25.995 64.184 -1.708 1.00 13.88 H new ATOM 0 HE2 TYR A 47 22.722 66.233 -0.655 1.00 14.72 H new ATOM 0 HH TYR A 47 22.991 65.301 -2.707 1.00 19.86 H new ATOM 514 N ASN A 48 26.234 68.625 2.456 1.00 12.41 N ANISOU 514 N ASN A 48 1590 1608 1517 60 478 189 N ATOM 515 CA ASN A 48 26.083 69.983 1.917 1.00 12.13 C ANISOU 515 CA ASN A 48 1390 1652 1566 103 413 245 C ATOM 516 C ASN A 48 25.861 70.906 3.097 1.00 13.50 C ANISOU 516 C ASN A 48 1634 1607 1888 -138 170 -76 C ATOM 517 O ASN A 48 25.994 70.491 4.245 1.00 14.09 O ANISOU 517 O ASN A 48 1923 1613 1819 97 400 -206 O ATOM 518 CB ASN A 48 25.012 70.007 0.820 1.00 13.92 C ANISOU 518 CB ASN A 48 1690 1906 1693 194 167 30 C ATOM 519 CG ASN A 48 23.591 69.877 1.290 1.00 14.55 C ANISOU 519 CG ASN A 48 1651 2147 1729 -129 81 149 C ATOM 520 OD1 ASN A 48 23.277 69.997 2.476 1.00 14.10 O ANISOU 520 OD1 ASN A 48 1450 2099 1807 -22 147 25 O ATOM 521 ND2 ASN A 48 22.692 69.604 0.355 1.00 16.85 N ANISOU 521 ND2 ASN A 48 1782 2762 1858 238 -82 -42 N ATOM 0 H ASN A 48 25.825 68.493 3.201 1.00 12.41 H new ATOM 0 HA ASN A 48 26.875 70.303 1.457 1.00 12.13 H new ATOM 0 HB2 ASN A 48 25.097 70.838 0.327 1.00 13.92 H new ATOM 0 HB3 ASN A 48 25.196 69.287 0.196 1.00 13.92 H new ATOM 0 HD21 ASN A 48 21.865 69.506 0.569 1.00 16.85 H new ATOM 0 HD22 ASN A 48 22.936 69.525 -0.466 1.00 16.85 H new ATOM 528 N GLU A 49 25.494 72.175 2.873 1.00 14.84 N ANISOU 528 N GLU A 49 1956 1725 1958 -59 761 56 N ATOM 529 CA GLU A 49 25.471 73.115 4.002 1.00 15.79 C ANISOU 529 CA GLU A 49 1811 1618 2569 -252 875 -309 C ATOM 530 C GLU A 49 24.367 72.784 4.985 1.00 13.60 C ANISOU 530 C GLU A 49 1523 1669 1976 -70 477 -245 C ATOM 531 O GLU A 49 24.477 73.314 6.094 1.00 14.03 O ANISOU 531 O GLU A 49 2085 1331 1916 -47 332 -112 O ATOM 532 CB GLU A 49 25.371 74.574 3.540 1.00 19.15 C ANISOU 532 CB GLU A 49 2387 1735 3153 -248 671 116 C ATOM 533 CG GLU A 49 24.660 74.815 2.239 1.00 29.16 C ANISOU 533 CG GLU A 49 4012 3415 3653 350 -75 547 C ATOM 534 CD GLU A 49 25.515 74.575 1.001 1.00 29.89 C ANISOU 534 CD GLU A 49 4514 3628 3215 -265 -20 543 C ATOM 535 OE1 GLU A 49 26.292 75.481 0.585 1.00 37.02 O ANISOU 535 OE1 GLU A 49 4606 4577 4881 -1144 485 18 O ATOM 536 OE2 GLU A 49 25.362 73.460 0.423 1.00 30.62 O ANISOU 536 OE2 GLU A 49 4547 3618 3468 -127 -126 413 O ATOM 0 H GLU A 49 25.264 72.500 2.111 1.00 14.84 H new ATOM 0 HA GLU A 49 26.320 73.014 4.461 1.00 15.79 H new ATOM 0 HB2 GLU A 49 24.919 75.082 4.232 1.00 19.15 H new ATOM 0 HB3 GLU A 49 26.270 74.932 3.466 1.00 19.15 H new ATOM 0 HG2 GLU A 49 23.881 74.239 2.197 1.00 29.16 H new ATOM 0 HG3 GLU A 49 24.338 75.730 2.224 1.00 29.16 H new ATOM 543 N ASN A 50 23.377 71.985 4.551 1.00 12.61 N ANISOU 543 N ASN A 50 1555 1584 1651 -63 367 54 N ATOM 544 CA ASN A 50 22.244 71.697 5.425 1.00 12.69 C ANISOU 544 CA ASN A 50 1521 1410 1891 8 442 -20 C ATOM 545 C ASN A 50 22.123 70.259 5.904 1.00 11.38 C ANISOU 545 C ASN A 50 1333 1510 1482 -46 232 13 C ATOM 546 O ASN A 50 21.254 69.992 6.727 1.00 11.86 O ANISOU 546 O ASN A 50 1278 1554 1674 -54 305 -37 O ATOM 547 CB ASN A 50 20.909 72.061 4.735 1.00 14.42 C ANISOU 547 CB ASN A 50 1581 1614 2285 343 462 102 C ATOM 548 CG ASN A 50 20.898 73.550 4.400 1.00 16.39 C ANISOU 548 CG ASN A 50 2340 1625 2261 382 81 -13 C ATOM 549 OD1 ASN A 50 21.224 74.338 5.274 1.00 19.69 O ANISOU 549 OD1 ASN A 50 2696 1892 2893 -40 -251 -248 O ATOM 550 ND2 ASN A 50 20.502 73.849 3.173 1.00 21.48 N ANISOU 550 ND2 ASN A 50 3573 2331 2259 52 48 460 N ATOM 0 H ASN A 50 23.348 71.613 3.776 1.00 12.61 H new ATOM 0 HA ASN A 50 22.422 72.245 6.205 1.00 12.69 H new ATOM 0 HB2 ASN A 50 20.798 71.537 3.926 1.00 14.42 H new ATOM 0 HB3 ASN A 50 20.164 71.845 5.317 1.00 14.42 H new ATOM 0 HD21 ASN A 50 20.455 74.671 2.925 1.00 21.48 H new ATOM 0 HD22 ASN A 50 20.291 73.221 2.624 1.00 21.48 H new ATOM 557 N TYR A 51 22.986 69.402 5.426 1.00 11.88 N ANISOU 557 N TYR A 51 1241 1484 1788 -14 363 162 N ATOM 558 CA TYR A 51 22.869 67.973 5.689 1.00 11.10 C ANISOU 558 CA TYR A 51 1132 1527 1557 -40 168 220 C ATOM 559 C TYR A 51 24.210 67.315 6.015 1.00 10.83 C ANISOU 559 C TYR A 51 1105 1526 1485 70 455 102 C ATOM 560 O TYR A 51 25.222 67.532 5.342 1.00 12.16 O ANISOU 560 O TYR A 51 1167 1827 1624 6 514 -47 O ATOM 561 CB TYR A 51 22.307 67.260 4.473 1.00 12.60 C ANISOU 561 CB TYR A 51 1307 1764 1715 53 240 -135 C ATOM 562 CG TYR A 51 20.817 67.391 4.305 1.00 11.83 C ANISOU 562 CG TYR A 51 1284 1825 1386 -10 195 -79 C ATOM 563 CD1 TYR A 51 19.947 66.524 4.970 1.00 13.51 C ANISOU 563 CD1 TYR A 51 1420 1838 1874 -139 287 -97 C ATOM 564 CD2 TYR A 51 20.244 68.380 3.487 1.00 14.00 C ANISOU 564 CD2 TYR A 51 1601 1844 1875 91 -2 11 C ATOM 565 CE1 TYR A 51 18.597 66.660 4.803 1.00 14.11 C ANISOU 565 CE1 TYR A 51 1400 1832 2129 -183 345 -497 C ATOM 566 CE2 TYR A 51 18.883 68.492 3.325 1.00 16.95 C ANISOU 566 CE2 TYR A 51 1693 2240 2507 184 -264 107 C ATOM 567 CZ TYR A 51 18.072 67.631 3.990 1.00 16.09 C ANISOU 567 CZ TYR A 51 1444 2508 2162 116 85 -399 C ATOM 568 OH TYR A 51 16.694 67.694 3.866 1.00 20.26 O ANISOU 568 OH TYR A 51 1418 3130 3148 211 -119 1000 O ATOM 0 H TYR A 51 23.660 69.620 4.939 1.00 11.88 H new ATOM 0 HA TYR A 51 22.282 67.893 6.457 1.00 11.10 H new ATOM 0 HB2 TYR A 51 22.742 67.607 3.679 1.00 12.60 H new ATOM 0 HB3 TYR A 51 22.533 66.318 4.531 1.00 12.60 H new ATOM 0 HD1 TYR A 51 20.284 65.857 5.524 1.00 13.51 H new ATOM 0 HD2 TYR A 51 20.802 68.976 3.042 1.00 14.00 H new ATOM 0 HE1 TYR A 51 18.023 66.081 5.250 1.00 14.11 H new ATOM 0 HE2 TYR A 51 18.525 69.146 2.770 1.00 16.95 H new ATOM 0 HH TYR A 51 16.435 67.111 3.320 1.00 20.26 H new ATOM 577 N ALA A 52 24.161 66.445 7.012 1.00 10.82 N ANISOU 577 N ALA A 52 1231 1349 1529 189 329 34 N ATOM 578 CA ALA A 52 25.231 65.559 7.392 1.00 9.66 C ANISOU 578 CA ALA A 52 1040 1281 1349 88 337 -214 C ATOM 579 C ALA A 52 24.815 64.102 7.145 1.00 8.82 C ANISOU 579 C ALA A 52 941 1256 1152 9 386 -83 C ATOM 580 O ALA A 52 23.635 63.772 7.190 1.00 10.11 O ANISOU 580 O ALA A 52 935 1465 1442 2 349 330 O ATOM 581 CB ALA A 52 25.583 65.737 8.876 1.00 10.77 C ANISOU 581 CB ALA A 52 1341 1353 1397 -130 197 -188 C ATOM 0 H ALA A 52 23.464 66.356 7.507 1.00 10.82 H new ATOM 0 HA ALA A 52 26.009 65.775 6.855 1.00 9.66 H new ATOM 0 HB1 ALA A 52 26.304 65.133 9.112 1.00 10.77 H new ATOM 0 HB2 ALA A 52 25.863 66.652 9.035 1.00 10.77 H new ATOM 0 HB3 ALA A 52 24.804 65.539 9.419 1.00 10.77 H new ATOM 587 N ILE A 53 25.789 63.250 6.884 1.00 8.32 N ANISOU 587 N ILE A 53 866 1279 1016 -78 345 277 N ATOM 588 CA ILE A 53 25.642 61.804 6.755 1.00 7.84 C ANISOU 588 CA ILE A 53 670 1254 1054 26 206 243 C ATOM 589 C ILE A 53 26.235 61.118 7.988 1.00 8.49 C ANISOU 589 C ILE A 53 815 1412 1000 -174 167 180 C ATOM 590 O ILE A 53 27.385 61.428 8.361 1.00 9.13 O ANISOU 590 O ILE A 53 729 1815 924 -153 179 284 O ATOM 591 CB ILE A 53 26.329 61.276 5.483 1.00 8.85 C ANISOU 591 CB ILE A 53 1062 1308 992 -120 249 -336 C ATOM 592 CG1 ILE A 53 25.718 61.887 4.234 1.00 9.58 C ANISOU 592 CG1 ILE A 53 1226 1378 1036 -107 274 -187 C ATOM 593 CG2 ILE A 53 26.292 59.776 5.429 1.00 10.24 C ANISOU 593 CG2 ILE A 53 1573 1322 994 70 -26 -347 C ATOM 594 CD1 ILE A 53 26.580 61.865 2.999 1.00 10.22 C ANISOU 594 CD1 ILE A 53 1322 1460 1101 -16 336 -150 C ATOM 0 H ILE A 53 26.601 63.510 6.770 1.00 8.32 H new ATOM 0 HA ILE A 53 24.696 61.602 6.687 1.00 7.84 H new ATOM 0 HB ILE A 53 27.260 61.546 5.517 1.00 8.85 H new ATOM 0 HG12 ILE A 53 24.891 61.419 4.038 1.00 9.58 H new ATOM 0 HG13 ILE A 53 25.484 62.808 4.427 1.00 9.58 H new ATOM 0 HG21 ILE A 53 26.730 59.470 4.620 1.00 10.24 H new ATOM 0 HG22 ILE A 53 26.752 59.413 6.202 1.00 10.24 H new ATOM 0 HG23 ILE A 53 25.370 59.475 5.430 1.00 10.24 H new ATOM 0 HD11 ILE A 53 26.101 62.276 2.262 1.00 10.22 H new ATOM 0 HD12 ILE A 53 27.399 62.358 3.167 1.00 10.22 H new ATOM 0 HD13 ILE A 53 26.796 60.947 2.771 1.00 10.22 H new ATOM 606 N THR A 54 25.489 60.201 8.598 1.00 7.77 N ANISOU 606 N THR A 54 707 1309 938 35 208 249 N ATOM 607 CA THR A 54 26.006 59.442 9.727 1.00 8.07 C ANISOU 607 CA THR A 54 705 1456 907 -67 171 212 C ATOM 608 C THR A 54 25.472 58.024 9.634 1.00 7.57 C ANISOU 608 C THR A 54 705 1396 777 -98 327 265 C ATOM 609 O THR A 54 24.847 57.638 8.644 1.00 8.19 O ANISOU 609 O THR A 54 603 1591 917 -178 197 111 O ATOM 610 CB THR A 54 25.676 60.164 11.042 1.00 8.52 C ANISOU 610 CB THR A 54 756 1472 1008 33 109 347 C ATOM 611 OG1 THR A 54 26.351 59.556 12.127 1.00 9.63 O ANISOU 611 OG1 THR A 54 1015 1733 912 18 161 -244 O ATOM 612 CG2 THR A 54 24.176 60.117 11.356 1.00 9.75 C ANISOU 612 CG2 THR A 54 842 1730 1133 29 272 370 C ATOM 0 H THR A 54 24.683 60.005 8.372 1.00 7.77 H new ATOM 0 HA THR A 54 26.974 59.382 9.707 1.00 8.07 H new ATOM 0 HB THR A 54 25.959 61.085 10.928 1.00 8.52 H new ATOM 0 HG1 THR A 54 27.077 59.956 12.265 1.00 9.63 H new ATOM 0 HG21 THR A 54 24.005 60.581 12.190 1.00 9.75 H new ATOM 0 HG22 THR A 54 23.682 60.547 10.640 1.00 9.75 H new ATOM 0 HG23 THR A 54 23.891 59.193 11.436 1.00 9.75 H new ATOM 619 N ALA A 55 25.714 57.221 10.657 1.00 7.54 N ANISOU 619 N ALA A 55 608 1461 797 -181 223 259 N ATOM 620 CA ALA A 55 25.198 55.860 10.735 1.00 8.24 C ANISOU 620 CA ALA A 55 666 1457 1008 -150 75 150 C ATOM 621 C ALA A 55 23.737 55.878 11.228 1.00 8.11 C ANISOU 621 C ALA A 55 724 1252 1105 -199 238 219 C ATOM 622 O ALA A 55 23.314 56.709 12.014 1.00 11.42 O ANISOU 622 O ALA A 55 1001 1709 1628 -292 450 -735 O ATOM 623 CB ALA A 55 26.043 54.995 11.644 1.00 9.57 C ANISOU 623 CB ALA A 55 856 1753 1028 68 270 61 C ATOM 0 H ALA A 55 26.189 57.452 11.336 1.00 7.54 H new ATOM 0 HA ALA A 55 25.234 55.476 9.845 1.00 8.24 H new ATOM 0 HB1 ALA A 55 25.673 54.099 11.674 1.00 9.57 H new ATOM 0 HB2 ALA A 55 26.951 54.959 11.304 1.00 9.57 H new ATOM 0 HB3 ALA A 55 26.047 55.372 12.538 1.00 9.57 H new ATOM 629 N GLY A 56 22.983 54.889 10.758 1.00 7.37 N ANISOU 629 N GLY A 56 613 1454 733 -133 123 275 N ATOM 630 CA GLY A 56 21.643 54.701 11.280 1.00 7.22 C ANISOU 630 CA GLY A 56 523 1350 869 -64 119 250 C ATOM 631 C GLY A 56 21.620 54.356 12.750 1.00 7.69 C ANISOU 631 C GLY A 56 638 1452 833 29 228 294 C ATOM 632 O GLY A 56 20.752 54.834 13.470 1.00 8.94 O ANISOU 632 O GLY A 56 743 1628 1025 -83 312 515 O ATOM 0 H GLY A 56 23.224 54.330 10.151 1.00 7.37 H new ATOM 0 HA2 GLY A 56 21.129 55.511 11.136 1.00 7.22 H new ATOM 0 HA3 GLY A 56 21.204 53.994 10.781 1.00 7.22 H new ATOM 636 N HIS A 57 22.567 53.515 13.191 1.00 8.40 N ANISOU 636 N HIS A 57 604 1773 814 -29 207 -16 N ATOM 637 CA HIS A 57 22.497 53.137 14.600 1.00 9.09 C ANISOU 637 CA HIS A 57 946 1648 860 -63 227 -62 C ATOM 638 C HIS A 57 22.849 54.311 15.529 1.00 9.76 C ANISOU 638 C HIS A 57 928 1851 929 -93 316 292 C ATOM 639 O HIS A 57 22.600 54.235 16.735 1.00 11.90 O ANISOU 639 O HIS A 57 1251 2412 857 51 199 -239 O ATOM 640 CB HIS A 57 23.367 51.936 14.871 1.00 8.79 C ANISOU 640 CB HIS A 57 760 1598 983 -137 125 -29 C ATOM 641 CG HIS A 57 24.837 52.190 14.816 1.00 9.47 C ANISOU 641 CG HIS A 57 862 1766 971 -189 112 228 C ATOM 642 ND1 HIS A 57 25.652 51.946 13.701 1.00 10.06 N ANISOU 642 ND1 HIS A 57 719 1958 1147 -214 179 268 N ATOM 643 CD2 HIS A 57 25.663 52.629 15.786 1.00 10.32 C ANISOU 643 CD2 HIS A 57 737 2002 1183 -43 38 345 C ATOM 644 CE1 HIS A 57 26.880 52.280 14.045 1.00 9.80 C ANISOU 644 CE1 HIS A 57 857 1843 1025 -285 54 349 C ATOM 645 NE2 HIS A 57 26.915 52.701 15.281 1.00 10.04 N ANISOU 645 NE2 HIS A 57 753 2085 975 17 57 235 N ATOM 0 H HIS A 57 23.209 53.177 12.729 1.00 8.40 H new ATOM 0 HA HIS A 57 21.578 52.894 14.795 1.00 9.09 H new ATOM 0 HB2 HIS A 57 23.146 51.586 15.748 1.00 8.79 H new ATOM 0 HB3 HIS A 57 23.149 51.244 14.227 1.00 8.79 H new ATOM 0 HD1 HIS A 57 25.399 51.638 12.939 1.00 10.06 H new ATOM 0 HD2 HIS A 57 25.414 52.846 16.655 1.00 10.32 H new ATOM 0 HE1 HIS A 57 27.620 52.224 13.484 1.00 9.80 H new ATOM 646 N CYS A 58 23.443 55.399 15.054 1.00 9.19 N ANISOU 646 N CYS A 58 881 1717 892 15 134 361 N ATOM 647 CA CYS A 58 23.706 56.590 15.834 1.00 9.90 C ANISOU 647 CA CYS A 58 943 1805 1014 -43 198 416 C ATOM 648 C CYS A 58 22.411 57.325 16.169 1.00 10.29 C ANISOU 648 C CYS A 58 865 1896 1149 -225 264 679 C ATOM 649 O CYS A 58 22.479 58.159 17.056 1.00 12.63 O ANISOU 649 O CYS A 58 1044 2240 1514 23 -15 1023 O ATOM 650 CB CYS A 58 24.661 57.525 15.112 1.00 11.64 C ANISOU 650 CB CYS A 58 966 1972 1483 -215 411 463 C ATOM 651 SG CYS A 58 26.372 56.927 15.026 1.00 12.37 S ANISOU 651 SG CYS A 58 916 2208 1574 -141 191 531 S ATOM 0 H CYS A 58 23.712 55.462 14.240 1.00 9.19 H new ATOM 0 HA CYS A 58 24.124 56.304 16.661 1.00 9.90 H new ATOM 0 HB2 CYS A 58 24.335 57.670 14.210 1.00 11.64 H new ATOM 0 HB3 CYS A 58 24.653 58.386 15.558 1.00 11.64 H new ATOM 656 N VAL A 59 21.324 57.078 15.473 1.00 9.67 N ANISOU 656 N VAL A 59 927 1744 1005 -184 152 417 N ATOM 657 CA VAL A 59 20.083 57.788 15.652 1.00 10.68 C ANISOU 657 CA VAL A 59 878 1816 1364 -186 221 461 C ATOM 658 C VAL A 59 18.877 56.903 15.965 1.00 10.39 C ANISOU 658 C VAL A 59 1004 1800 1144 -164 422 -732 C ATOM 659 O VAL A 59 17.837 57.441 16.343 1.00 11.06 O ANISOU 659 O VAL A 59 978 1931 1292 -131 483 592 O ATOM 660 CB VAL A 59 19.747 58.643 14.428 1.00 9.95 C ANISOU 660 CB VAL A 59 652 1659 1468 -53 213 560 C ATOM 661 CG1 VAL A 59 20.806 59.707 14.160 1.00 12.45 C ANISOU 661 CG1 VAL A 59 997 2086 1649 -289 384 265 C ATOM 662 CG2 VAL A 59 19.503 57.763 13.219 1.00 11.04 C ANISOU 662 CG2 VAL A 59 1112 1773 1309 218 178 -516 C ATOM 0 H VAL A 59 21.287 56.473 14.863 1.00 9.67 H new ATOM 0 HA VAL A 59 20.243 58.344 16.431 1.00 10.68 H new ATOM 0 HB VAL A 59 18.926 59.124 14.618 1.00 9.95 H new ATOM 0 HG11 VAL A 59 20.555 60.224 13.379 1.00 12.45 H new ATOM 0 HG12 VAL A 59 20.876 60.295 14.928 1.00 12.45 H new ATOM 0 HG13 VAL A 59 21.662 59.279 14.002 1.00 12.45 H new ATOM 0 HG21 VAL A 59 19.291 58.318 12.452 1.00 11.04 H new ATOM 0 HG22 VAL A 59 20.300 57.243 13.031 1.00 11.04 H new ATOM 0 HG23 VAL A 59 18.761 57.164 13.399 1.00 11.04 H new ATOM 672 N TYR A 60 18.987 55.599 15.785 1.00 10.59 N ANISOU 672 N TYR A 60 888 1745 1390 -141 247 444 N ATOM 673 CA TYR A 60 17.854 54.735 16.043 1.00 12.09 C ANISOU 673 CA TYR A 60 1114 1926 1553 -250 442 -389 C ATOM 674 C TYR A 60 17.240 54.957 17.410 1.00 13.71 C ANISOU 674 C TYR A 60 1408 2177 1627 -331 565 -383 C ATOM 675 O TYR A 60 17.887 54.943 18.446 1.00 16.35 O ANISOU 675 O TYR A 60 2012 2697 1504 -325 491 -195 O ATOM 676 CB TYR A 60 18.359 53.287 15.887 1.00 14.51 C ANISOU 676 CB TYR A 60 1988 1812 1713 -198 649 -212 C ATOM 677 CG TYR A 60 17.252 52.280 16.157 1.00 14.55 C ANISOU 677 CG TYR A 60 1875 1905 1748 -139 609 -117 C ATOM 678 CD1 TYR A 60 16.206 52.105 15.284 1.00 15.63 C ANISOU 678 CD1 TYR A 60 1742 2163 2036 -32 503 -283 C ATOM 679 CD2 TYR A 60 17.263 51.503 17.291 1.00 19.88 C ANISOU 679 CD2 TYR A 60 2644 2726 2183 -673 301 517 C ATOM 680 CE1 TYR A 60 15.182 51.177 15.530 1.00 19.24 C ANISOU 680 CE1 TYR A 60 2080 2586 2645 -393 306 -105 C ATOM 681 CE2 TYR A 60 16.272 50.576 17.572 1.00 22.53 C ANISOU 681 CE2 TYR A 60 2924 3028 2610 -813 406 711 C ATOM 682 CZ TYR A 60 15.223 50.423 16.673 1.00 22.60 C ANISOU 682 CZ TYR A 60 2694 2825 3069 -801 365 288 C ATOM 683 OH TYR A 60 14.257 49.500 16.968 1.00 28.79 O ANISOU 683 OH TYR A 60 2946 3985 4007 -1282 852 541 O ATOM 0 H TYR A 60 19.700 55.199 15.517 1.00 10.59 H new ATOM 0 HA TYR A 60 17.143 54.933 15.414 1.00 12.09 H new ATOM 0 HB2 TYR A 60 18.704 53.158 14.990 1.00 14.51 H new ATOM 0 HB3 TYR A 60 19.096 53.132 16.499 1.00 14.51 H new ATOM 0 HD1 TYR A 60 16.175 52.616 14.508 1.00 15.63 H new ATOM 0 HD2 TYR A 60 17.964 51.604 17.894 1.00 19.88 H new ATOM 0 HE1 TYR A 60 14.484 51.075 14.924 1.00 19.24 H new ATOM 0 HE2 TYR A 60 16.308 50.065 18.348 1.00 22.53 H new ATOM 0 HH TYR A 60 14.425 48.781 16.568 1.00 28.79 H new ATOM 692 N GLY A 60A 15.925 55.206 17.375 1.00 15.20 N ANISOU 692 N GLY A 60A 1355 2463 1957 -510 888 -404 N ATOM 693 CA GLY A 60A 15.265 55.376 18.671 1.00 15.43 C ANISOU 693 CA GLY A 60A 1661 2426 1776 -268 873 -60 C ATOM 694 C GLY A 60A 15.014 56.827 19.007 1.00 15.46 C ANISOU 694 C GLY A 60A 1586 2513 1773 -199 893 -215 C ATOM 695 O GLY A 60A 14.272 57.088 19.967 1.00 19.10 O ANISOU 695 O GLY A 60A 2227 3132 1899 -31 1172 -301 O ATOM 0 H GLY A 60A 15.433 55.276 16.673 1.00 15.20 H new ATOM 0 HA2 GLY A 60A 14.421 54.898 18.666 1.00 15.43 H new ATOM 0 HA3 GLY A 60A 15.813 54.977 19.365 1.00 15.43 H new ATOM 699 N ASP A 60B 15.549 57.752 18.248 1.00 14.47 N ANISOU 699 N ASP A 60B 1604 2242 1652 -211 655 -355 N ATOM 700 CA ASP A 60B 15.372 59.173 18.440 1.00 14.36 C ANISOU 700 CA ASP A 60B 1455 2366 1634 -82 738 -419 C ATOM 701 C ASP A 60B 13.969 59.622 17.988 1.00 13.63 C ANISOU 701 C ASP A 60B 1419 2185 1576 -221 553 -528 C ATOM 702 O ASP A 60B 13.320 58.866 17.279 1.00 16.73 O ANISOU 702 O ASP A 60B 1450 2422 2483 -357 660 1079 O ATOM 703 CB ASP A 60B 16.427 59.972 17.689 1.00 14.92 C ANISOU 703 CB ASP A 60B 1448 2276 1946 -395 584 -520 C ATOM 704 CG ASP A 60B 17.822 59.908 18.248 1.00 14.77 C ANISOU 704 CG ASP A 60B 1514 2032 2067 -73 558 -341 C ATOM 705 OD1 ASP A 60B 18.035 59.434 19.378 1.00 19.60 O ANISOU 705 OD1 ASP A 60B 2207 2759 2479 -423 146 216 O ATOM 706 OD2 ASP A 60B 18.736 60.381 17.506 1.00 15.28 O ANISOU 706 OD2 ASP A 60B 1455 2263 2089 -427 551 -708 O ATOM 0 H ASP A 60B 16.049 57.563 17.574 1.00 14.47 H new ATOM 0 HA ASP A 60B 15.470 59.345 19.390 1.00 14.36 H new ATOM 0 HB2 ASP A 60B 16.451 59.660 16.771 1.00 14.92 H new ATOM 0 HB3 ASP A 60B 16.149 60.901 17.666 1.00 14.92 H new ATOM 711 N ASP A 60C 13.625 60.816 18.435 1.00 14.53 N ANISOU 711 N ASP A 60C 1458 2279 1785 -214 313 -762 N ATOM 712 CA ASP A 60C 12.405 61.498 17.933 1.00 14.49 C ANISOU 712 CA ASP A 60C 1820 2025 1660 -107 191 -728 C ATOM 713 C ASP A 60C 12.749 62.152 16.610 1.00 14.59 C ANISOU 713 C ASP A 60C 1542 2223 1780 -245 382 -697 C ATOM 714 O ASP A 60C 13.219 63.276 16.561 1.00 15.92 O ANISOU 714 O ASP A 60C 962 2365 1722 -414 422 -763 O ATOM 715 CB ASP A 60C 11.858 62.426 18.998 1.00 18.70 C ANISOU 715 CB ASP A 60C 2341 2698 2067 274 765 -769 C ATOM 716 CG ASP A 60C 10.609 63.206 18.598 1.00 23.64 C ANISOU 716 CG ASP A 60C 2717 3386 2881 866 629 -794 C ATOM 717 OD1 ASP A 60C 10.383 63.479 17.387 1.00 23.41 O ANISOU 717 OD1 ASP A 60C 2532 3350 3013 392 307 -574 O ATOM 718 OD2 ASP A 60C 9.871 63.570 19.571 1.00 26.55 O ANISOU 718 OD2 ASP A 60C 2991 3789 3308 999 949 -848 O ATOM 0 H ASP A 60C 14.068 61.259 19.024 1.00 14.53 H new ATOM 0 HA ASP A 60C 11.679 60.880 17.755 1.00 14.49 H new ATOM 0 HB2 ASP A 60C 11.656 61.903 19.790 1.00 18.70 H new ATOM 0 HB3 ASP A 60C 12.552 63.058 19.244 1.00 18.70 H new ATOM 723 N TYR A 60D 12.522 61.404 15.521 1.00 12.95 N ANISOU 723 N TYR A 60D 924 2310 1686 -333 475 -663 N ATOM 724 CA TYR A 60D 13.162 61.748 14.245 1.00 11.96 C ANISOU 724 CA TYR A 60D 789 2104 1652 -349 244 -494 C ATOM 725 C TYR A 60D 12.720 63.098 13.717 1.00 12.29 C ANISOU 725 C TYR A 60D 859 2161 1648 -175 5 -648 C ATOM 726 O TYR A 60D 13.517 63.826 13.132 1.00 12.92 O ANISOU 726 O TYR A 60D 1187 1944 1780 35 373 -503 O ATOM 727 CB TYR A 60D 12.988 60.673 13.153 1.00 12.37 C ANISOU 727 CB TYR A 60D 928 2185 1586 43 292 -518 C ATOM 728 CG TYR A 60D 13.430 59.315 13.599 1.00 12.56 C ANISOU 728 CG TYR A 60D 1042 2099 1632 -5 418 -409 C ATOM 729 CD1 TYR A 60D 14.719 59.037 14.056 1.00 12.49 C ANISOU 729 CD1 TYR A 60D 958 2098 1691 -90 575 -43 C ATOM 730 CD2 TYR A 60D 12.582 58.210 13.569 1.00 15.64 C ANISOU 730 CD2 TYR A 60D 1478 2343 2120 -312 -68 -291 C ATOM 731 CE1 TYR A 60D 15.117 57.786 14.461 1.00 13.20 C ANISOU 731 CE1 TYR A 60D 1226 2068 1720 -85 387 -145 C ATOM 732 CE2 TYR A 60D 12.978 56.963 13.961 1.00 15.29 C ANISOU 732 CE2 TYR A 60D 1758 2171 1881 -401 -96 -452 C ATOM 733 CZ TYR A 60D 14.254 56.730 14.410 1.00 13.39 C ANISOU 733 CZ TYR A 60D 1416 1977 1695 -133 555 -448 C ATOM 734 OH TYR A 60D 14.675 55.503 14.822 1.00 14.97 O ANISOU 734 OH TYR A 60D 1644 1998 2045 -137 654 -383 O ATOM 0 H TYR A 60D 12.014 60.711 15.500 1.00 12.95 H new ATOM 0 HA TYR A 60D 14.108 61.794 14.456 1.00 11.96 H new ATOM 0 HB2 TYR A 60D 12.055 60.634 12.889 1.00 12.37 H new ATOM 0 HB3 TYR A 60D 13.495 60.931 12.367 1.00 12.37 H new ATOM 0 HD1 TYR A 60D 15.337 59.731 14.088 1.00 12.49 H new ATOM 0 HD2 TYR A 60D 11.709 58.326 13.269 1.00 15.64 H new ATOM 0 HE1 TYR A 60D 15.984 57.657 14.773 1.00 13.20 H new ATOM 0 HE2 TYR A 60D 12.372 56.259 13.923 1.00 15.29 H new ATOM 0 HH TYR A 60D 14.136 54.917 14.554 1.00 14.97 H new ATOM 743 N GLU A 60E 11.435 63.469 13.913 1.00 12.84 N ANISOU 743 N GLU A 60E 999 2321 1558 -105 200 -746 N ATOM 744 CA GLU A 60E 10.952 64.742 13.382 1.00 13.80 C ANISOU 744 CA GLU A 60E 931 2459 1855 62 243 -560 C ATOM 745 C GLU A 60E 11.185 65.876 14.352 1.00 14.81 C ANISOU 745 C GLU A 60E 1341 2243 2043 35 -70 -422 C ATOM 746 O GLU A 60E 11.094 67.041 14.014 1.00 17.19 O ANISOU 746 O GLU A 60E 2035 2318 2177 -223 264 -327 O ATOM 747 CB GLU A 60E 9.437 64.622 13.090 1.00 14.06 C ANISOU 747 CB GLU A 60E 889 2199 2253 -127 387 -416 C ATOM 748 CG GLU A 60E 9.149 63.717 11.904 1.00 15.91 C ANISOU 748 CG GLU A 60E 1291 2281 2472 -168 -97 -417 C ATOM 749 CD GLU A 60E 9.463 64.285 10.533 1.00 17.71 C ANISOU 749 CD GLU A 60E 1812 2609 2307 -389 -379 -328 C ATOM 750 OE1 GLU A 60E 9.896 65.455 10.354 1.00 19.58 O ANISOU 750 OE1 GLU A 60E 2154 2691 2595 -530 -70 6 O ATOM 751 OE2 GLU A 60E 9.268 63.600 9.485 1.00 19.44 O ANISOU 751 OE2 GLU A 60E 1936 2967 2484 -278 -268 -576 O ATOM 0 H GLU A 60E 10.850 63.005 14.340 1.00 12.84 H new ATOM 0 HA GLU A 60E 11.444 64.939 12.569 1.00 13.80 H new ATOM 0 HB2 GLU A 60E 8.985 64.276 13.875 1.00 14.06 H new ATOM 0 HB3 GLU A 60E 9.072 65.504 12.917 1.00 14.06 H new ATOM 0 HG2 GLU A 60E 9.655 62.897 12.017 1.00 15.91 H new ATOM 0 HG3 GLU A 60E 8.210 63.476 11.926 1.00 15.91 H new ATOM 758 N ASN A 60F 11.498 65.573 15.592 1.00 14.73 N ANISOU 758 N ASN A 60F 1290 2369 1936 194 75 -596 N ATOM 759 CA ASN A 60F 11.738 66.619 16.566 1.00 16.28 C ANISOU 759 CA ASN A 60F 1463 2658 2062 84 245 -813 C ATOM 760 C ASN A 60F 12.848 66.228 17.526 1.00 14.66 C ANISOU 760 C ASN A 60F 1470 2392 1708 -60 367 -722 C ATOM 761 O ASN A 60F 12.674 66.073 18.711 1.00 15.50 O ANISOU 761 O ASN A 60F 1535 2531 1823 -170 551 -576 O ATOM 762 CB ASN A 60F 10.431 66.923 17.322 1.00 19.26 C ANISOU 762 CB ASN A 60F 1591 3115 2609 327 445 -936 C ATOM 763 CG ASN A 60F 9.522 67.844 16.550 1.00 20.65 C ANISOU 763 CG ASN A 60F 1696 3241 2907 293 461 -504 C ATOM 764 OD1 ASN A 60F 9.860 68.972 16.133 1.00 25.83 O ANISOU 764 OD1 ASN A 60F 2768 3340 3705 -331 -321 -334 O ATOM 765 ND2 ASN A 60F 8.285 67.352 16.378 1.00 20.72 N ANISOU 765 ND2 ASN A 60F 2092 3276 2505 1 -76 -524 N ATOM 0 H ASN A 60F 11.577 64.771 15.893 1.00 14.73 H new ATOM 0 HA ASN A 60F 12.029 67.421 16.104 1.00 16.28 H new ATOM 0 HB2 ASN A 60F 9.965 66.092 17.505 1.00 19.26 H new ATOM 0 HB3 ASN A 60F 10.642 67.325 18.179 1.00 19.26 H new ATOM 0 HD21 ASN A 60F 7.690 67.818 15.967 1.00 20.72 H new ATOM 0 HD22 ASN A 60F 8.087 66.571 16.679 1.00 20.72 H new ATOM 772 N PRO A 61 14.051 66.042 17.013 1.00 14.12 N ANISOU 772 N PRO A 61 1358 2366 1640 -123 345 -707 N ATOM 773 CA PRO A 61 15.132 65.530 17.860 1.00 14.44 C ANISOU 773 CA PRO A 61 1372 2542 1574 -265 311 -646 C ATOM 774 C PRO A 61 15.449 66.632 18.874 1.00 14.50 C ANISOU 774 C PRO A 61 1238 2575 1695 -83 317 -764 C ATOM 775 O PRO A 61 15.450 67.817 18.597 1.00 16.99 O ANISOU 775 O PRO A 61 1568 2579 2309 -335 -132 -756 O ATOM 776 CB PRO A 61 16.281 65.294 16.883 1.00 14.37 C ANISOU 776 CB PRO A 61 1459 2230 1772 69 387 -591 C ATOM 777 CG PRO A 61 15.954 66.081 15.677 1.00 14.73 C ANISOU 777 CG PRO A 61 1312 2419 1864 -172 447 -353 C ATOM 778 CD PRO A 61 14.455 66.244 15.617 1.00 14.19 C ANISOU 778 CD PRO A 61 1274 2366 1753 -339 326 -348 C ATOM 0 HA PRO A 61 14.935 64.718 18.353 1.00 14.44 H new ATOM 0 HB2 PRO A 61 17.126 65.578 17.265 1.00 14.37 H new ATOM 0 HB3 PRO A 61 16.368 64.352 16.670 1.00 14.37 H new ATOM 0 HG2 PRO A 61 16.388 66.948 15.710 1.00 14.73 H new ATOM 0 HG3 PRO A 61 16.278 65.632 14.881 1.00 14.73 H new ATOM 0 HD2 PRO A 61 14.201 67.122 15.292 1.00 14.19 H new ATOM 0 HD3 PRO A 61 14.045 65.593 15.026 1.00 14.19 H new ATOM 786 N SER A 62 15.722 66.136 20.074 1.00 16.33 N ANISOU 786 N SER A 62 1460 2975 1771 -413 78 -718 N ATOM 787 CA SER A 62 16.034 67.042 21.157 1.00 15.80 C ANISOU 787 CA SER A 62 1496 2816 1690 -178 181 -765 C ATOM 788 C SER A 62 17.489 66.856 21.602 1.00 14.70 C ANISOU 788 C SER A 62 1452 2484 1648 19 175 -985 C ATOM 789 O SER A 62 17.975 65.762 21.820 1.00 15.53 O ANISOU 789 O SER A 62 1534 2445 1923 -212 461 -455 O ATOM 790 CB SER A 62 15.134 66.781 22.372 1.00 21.56 C ANISOU 790 CB SER A 62 1967 3841 2385 -200 997 -948 C ATOM 791 OG SER A 62 13.773 66.977 22.111 1.00 28.19 O ANISOU 791 OG SER A 62 2085 4716 3909 305 1188 -470 O ATOM 0 H SER A 62 15.731 65.300 20.275 1.00 16.33 H new ATOM 0 HA SER A 62 15.890 67.944 20.830 1.00 15.80 H new ATOM 0 HB2 SER A 62 15.270 65.870 22.676 1.00 21.56 H new ATOM 0 HB3 SER A 62 15.404 67.366 23.097 1.00 21.56 H new ATOM 0 HG SER A 62 13.329 66.820 22.806 1.00 28.19 H new ATOM 796 N GLY A 63 18.137 67.979 21.835 1.00 12.39 N ANISOU 796 N GLY A 63 1051 2379 1276 83 540 -737 N ATOM 797 CA GLY A 63 19.469 67.983 22.473 1.00 13.16 C ANISOU 797 CA GLY A 63 1116 2469 1414 144 357 -674 C ATOM 798 C GLY A 63 20.528 67.300 21.629 1.00 12.00 C ANISOU 798 C GLY A 63 1161 2111 1287 239 172 -810 C ATOM 799 O GLY A 63 21.422 66.684 22.196 1.00 14.22 O ANISOU 799 O GLY A 63 1277 2714 1411 379 -6 -869 O ATOM 0 H GLY A 63 17.835 68.759 21.636 1.00 12.39 H new ATOM 0 HA2 GLY A 63 19.739 68.899 22.643 1.00 13.16 H new ATOM 0 HA3 GLY A 63 19.412 67.539 23.334 1.00 13.16 H new ATOM 803 N LEU A 64 20.427 67.417 20.309 1.00 11.64 N ANISOU 803 N LEU A 64 1156 1937 1327 50 339 -540 N ATOM 804 CA LEU A 64 21.427 66.839 19.386 1.00 11.48 C ANISOU 804 CA LEU A 64 1144 2113 1105 -144 297 -595 C ATOM 805 C LEU A 64 22.017 67.962 18.539 1.00 11.55 C ANISOU 805 C LEU A 64 1186 2022 1180 79 293 -537 C ATOM 806 O LEU A 64 21.302 68.839 18.078 1.00 11.97 O ANISOU 806 O LEU A 64 1000 2213 1336 85 240 -450 O ATOM 807 CB LEU A 64 20.804 65.817 18.473 1.00 12.09 C ANISOU 807 CB LEU A 64 1213 2207 1172 -32 18 -610 C ATOM 808 CG LEU A 64 20.271 64.564 19.171 1.00 13.63 C ANISOU 808 CG LEU A 64 1445 2057 1677 -107 -55 -615 C ATOM 809 CD1 LEU A 64 19.450 63.753 18.186 1.00 16.65 C ANISOU 809 CD1 LEU A 64 1840 1970 2515 161 -474 1021 C ATOM 810 CD2 LEU A 64 21.399 63.761 19.776 1.00 16.35 C ANISOU 810 CD2 LEU A 64 2088 1920 2206 44 -530 -618 C ATOM 0 H LEU A 64 19.783 67.830 19.916 1.00 11.64 H new ATOM 0 HA LEU A 64 22.115 66.401 19.911 1.00 11.48 H new ATOM 0 HB2 LEU A 64 20.075 66.237 17.990 1.00 12.09 H new ATOM 0 HB3 LEU A 64 21.463 65.548 17.814 1.00 12.09 H new ATOM 0 HG LEU A 64 19.693 64.822 19.906 1.00 13.63 H new ATOM 0 HD11 LEU A 64 19.110 62.958 18.625 1.00 16.65 H new ATOM 0 HD12 LEU A 64 18.707 64.288 17.867 1.00 16.65 H new ATOM 0 HD13 LEU A 64 20.008 63.494 17.436 1.00 16.65 H new ATOM 0 HD21 LEU A 64 21.038 62.973 20.212 1.00 16.35 H new ATOM 0 HD22 LEU A 64 22.015 63.490 19.077 1.00 16.35 H new ATOM 0 HD23 LEU A 64 21.870 64.304 20.428 1.00 16.35 H new ATOM 822 N GLN A 65 23.349 67.883 18.328 1.00 11.47 N ANISOU 822 N GLN A 65 1092 1879 1385 -13 249 -321 N ATOM 823 CA GLN A 65 23.996 68.916 17.553 1.00 11.68 C ANISOU 823 CA GLN A 65 1493 1666 1278 -35 359 -390 C ATOM 824 C GLN A 65 25.196 68.329 16.811 1.00 12.46 C ANISOU 824 C GLN A 65 1520 1752 1463 -220 482 -634 C ATOM 825 O GLN A 65 25.695 67.275 17.235 1.00 11.20 O ANISOU 825 O GLN A 65 1162 1887 1208 -183 401 -598 O ATOM 826 CB GLN A 65 24.453 70.059 18.449 1.00 13.02 C ANISOU 826 CB GLN A 65 1916 1734 1299 34 363 -473 C ATOM 827 CG GLN A 65 25.476 69.629 19.496 1.00 14.21 C ANISOU 827 CG GLN A 65 1663 1979 1757 -176 69 -544 C ATOM 828 CD GLN A 65 25.665 70.698 20.539 1.00 15.29 C ANISOU 828 CD GLN A 65 2148 1912 1749 -194 80 -515 C ATOM 829 OE1 GLN A 65 24.782 71.496 20.810 1.00 18.76 O ANISOU 829 OE1 GLN A 65 2554 2275 2299 -15 605 -784 O ATOM 830 NE2 GLN A 65 26.862 70.655 21.123 1.00 19.85 N ANISOU 830 NE2 GLN A 65 2208 2805 2528 -523 -154 1119 N ATOM 0 H GLN A 65 23.863 67.258 18.620 1.00 11.47 H new ATOM 0 HA GLN A 65 23.357 69.265 16.912 1.00 11.68 H new ATOM 0 HB2 GLN A 65 24.837 70.760 17.899 1.00 13.02 H new ATOM 0 HB3 GLN A 65 23.681 70.440 18.896 1.00 13.02 H new ATOM 0 HG2 GLN A 65 25.183 68.807 19.920 1.00 14.21 H new ATOM 0 HG3 GLN A 65 26.324 69.440 19.065 1.00 14.21 H new ATOM 0 HE21 GLN A 65 27.437 70.064 20.881 1.00 19.85 H new ATOM 0 HE22 GLN A 65 27.059 71.219 21.742 1.00 19.85 H new ATOM 839 N ILE A 66 25.607 69.047 15.776 1.00 11.56 N ANISOU 839 N ILE A 66 1049 1920 1424 84 255 -478 N ATOM 840 CA ILE A 66 26.899 68.711 15.163 1.00 11.65 C ANISOU 840 CA ILE A 66 1103 1812 1510 -54 381 -471 C ATOM 841 C ILE A 66 27.891 69.841 15.424 1.00 10.73 C ANISOU 841 C ILE A 66 1208 1666 1205 -49 244 -220 C ATOM 842 O ILE A 66 27.447 70.986 15.596 1.00 13.58 O ANISOU 842 O ILE A 66 1214 1844 2102 -18 270 -721 O ATOM 843 CB ILE A 66 26.801 68.366 13.681 1.00 12.30 C ANISOU 843 CB ILE A 66 1308 1875 1489 -126 301 -562 C ATOM 844 CG1 ILE A 66 26.266 69.470 12.802 1.00 15.87 C ANISOU 844 CG1 ILE A 66 1874 2406 1750 -92 223 -111 C ATOM 845 CG2 ILE A 66 26.029 67.047 13.504 1.00 15.27 C ANISOU 845 CG2 ILE A 66 1898 2588 1316 -1034 353 -255 C ATOM 846 CD1 ILE A 66 27.170 70.585 12.339 1.00 18.73 C ANISOU 846 CD1 ILE A 66 2503 2414 2201 -29 938 8 C ATOM 0 H ILE A 66 25.181 69.705 15.421 1.00 11.56 H new ATOM 0 HA ILE A 66 27.221 67.898 15.583 1.00 11.65 H new ATOM 0 HB ILE A 66 27.711 68.251 13.366 1.00 12.30 H new ATOM 0 HG12 ILE A 66 25.898 69.051 12.008 1.00 15.87 H new ATOM 0 HG13 ILE A 66 25.525 69.880 13.276 1.00 15.87 H new ATOM 0 HG21 ILE A 66 25.969 66.831 12.560 1.00 15.27 H new ATOM 0 HG22 ILE A 66 26.495 66.334 13.969 1.00 15.27 H new ATOM 0 HG23 ILE A 66 25.136 67.143 13.871 1.00 15.27 H new ATOM 0 HD11 ILE A 66 26.666 71.203 11.787 1.00 18.73 H new ATOM 0 HD12 ILE A 66 27.524 71.056 13.110 1.00 18.73 H new ATOM 0 HD13 ILE A 66 27.903 70.214 11.822 1.00 18.73 H new ATOM 858 N VAL A 67 29.162 69.477 15.406 1.00 12.54 N ANISOU 858 N VAL A 67 1078 2136 1550 -108 573 -434 N ATOM 859 CA VAL A 67 30.234 70.484 15.468 1.00 12.43 C ANISOU 859 CA VAL A 67 1310 1905 1509 -157 481 -308 C ATOM 860 C VAL A 67 31.161 70.298 14.262 1.00 11.64 C ANISOU 860 C VAL A 67 1237 1663 1525 -218 478 -334 C ATOM 861 O VAL A 67 31.674 69.191 14.116 1.00 11.59 O ANISOU 861 O VAL A 67 1225 1690 1487 -229 354 -477 O ATOM 862 CB VAL A 67 31.032 70.431 16.767 1.00 12.79 C ANISOU 862 CB VAL A 67 1368 1973 1517 -66 392 -430 C ATOM 863 CG1 VAL A 67 31.967 71.628 16.831 1.00 13.54 C ANISOU 863 CG1 VAL A 67 1577 1948 1618 -144 531 -638 C ATOM 864 CG2 VAL A 67 30.063 70.432 17.969 1.00 14.04 C ANISOU 864 CG2 VAL A 67 1360 2420 1554 -164 428 -491 C ATOM 0 H VAL A 67 29.434 68.662 15.359 1.00 12.54 H new ATOM 0 HA VAL A 67 29.817 71.360 15.445 1.00 12.43 H new ATOM 0 HB VAL A 67 31.561 69.619 16.798 1.00 12.79 H new ATOM 0 HG11 VAL A 67 32.476 71.597 17.656 1.00 13.54 H new ATOM 0 HG12 VAL A 67 32.575 71.605 16.075 1.00 13.54 H new ATOM 0 HG13 VAL A 67 31.447 72.447 16.802 1.00 13.54 H new ATOM 0 HG21 VAL A 67 30.571 70.398 18.795 1.00 14.04 H new ATOM 0 HG22 VAL A 67 29.527 71.240 17.952 1.00 14.04 H new ATOM 0 HG23 VAL A 67 29.481 69.658 17.916 1.00 14.04 H new ATOM 874 N ALA A 68 31.223 71.322 13.431 1.00 11.83 N ANISOU 874 N ALA A 68 1313 1694 1486 -258 479 -408 N ATOM 875 CA ALA A 68 32.085 71.373 12.271 1.00 11.97 C ANISOU 875 CA ALA A 68 1348 1717 1482 -411 411 -305 C ATOM 876 C ALA A 68 33.315 72.198 12.645 1.00 11.98 C ANISOU 876 C ALA A 68 1438 1618 1498 -413 466 -519 C ATOM 877 O ALA A 68 33.314 72.976 13.584 1.00 13.21 O ANISOU 877 O ALA A 68 1443 1904 1674 -209 388 -767 O ATOM 878 CB ALA A 68 31.404 71.954 11.051 1.00 11.93 C ANISOU 878 CB ALA A 68 1365 1709 1459 -227 540 -271 C ATOM 0 H ALA A 68 30.747 72.031 13.531 1.00 11.83 H new ATOM 0 HA ALA A 68 32.331 70.467 12.026 1.00 11.97 H new ATOM 0 HB1 ALA A 68 32.026 71.964 10.307 1.00 11.93 H new ATOM 0 HB2 ALA A 68 30.634 71.411 10.821 1.00 11.93 H new ATOM 0 HB3 ALA A 68 31.115 72.860 11.242 1.00 11.93 H new ATOM 884 N GLY A 69 34.415 72.045 11.902 1.00 13.04 N ANISOU 884 N GLY A 69 1393 1860 1700 -345 467 -783 N ATOM 885 CA GLY A 69 35.613 72.827 12.124 1.00 13.13 C ANISOU 885 CA GLY A 69 1480 1788 1721 -400 501 -681 C ATOM 886 C GLY A 69 36.293 72.522 13.424 1.00 12.68 C ANISOU 886 C GLY A 69 1187 1952 1678 -349 592 -662 C ATOM 887 O GLY A 69 36.950 73.382 13.995 1.00 15.61 O ANISOU 887 O GLY A 69 1774 2196 1960 -644 323 -711 O ATOM 0 H GLY A 69 34.478 71.481 11.256 1.00 13.04 H new ATOM 0 HA2 GLY A 69 36.235 72.667 11.397 1.00 13.13 H new ATOM 0 HA3 GLY A 69 35.385 73.769 12.100 1.00 13.13 H new ATOM 891 N GLU A 70 36.100 71.332 13.967 1.00 13.43 N ANISOU 891 N GLU A 70 1295 1938 1870 -239 271 -650 N ATOM 892 CA GLU A 70 36.669 70.921 15.225 1.00 14.07 C ANISOU 892 CA GLU A 70 1581 1932 1834 -214 291 -665 C ATOM 893 C GLU A 70 37.919 70.113 14.979 1.00 12.80 C ANISOU 893 C GLU A 70 1704 1665 1493 -150 269 -499 C ATOM 894 O GLU A 70 38.025 69.343 14.018 1.00 15.07 O ANISOU 894 O GLU A 70 1541 2508 1678 -291 494 -914 O ATOM 895 CB GLU A 70 35.591 70.140 16.000 1.00 14.31 C ANISOU 895 CB GLU A 70 1599 1919 1918 -214 304 -631 C ATOM 896 CG GLU A 70 35.923 69.651 17.392 1.00 15.20 C ANISOU 896 CG GLU A 70 1644 2308 1821 -215 348 -668 C ATOM 897 CD GLU A 70 36.253 70.823 18.315 1.00 15.76 C ANISOU 897 CD GLU A 70 1680 2359 1950 -138 430 -883 C ATOM 898 OE1 GLU A 70 35.448 71.181 19.184 1.00 19.43 O ANISOU 898 OE1 GLU A 70 2096 2733 2552 -287 925 1108 O ATOM 899 OE2 GLU A 70 37.389 71.381 18.202 1.00 14.85 O ANISOU 899 OE2 GLU A 70 1791 2212 1640 -213 405 -686 O ATOM 0 H GLU A 70 35.617 70.724 13.597 1.00 13.43 H new ATOM 0 HA GLU A 70 36.937 71.683 15.762 1.00 14.07 H new ATOM 0 HB2 GLU A 70 34.805 70.705 16.064 1.00 14.31 H new ATOM 0 HB3 GLU A 70 35.343 69.369 15.467 1.00 14.31 H new ATOM 0 HG2 GLU A 70 35.173 69.152 17.752 1.00 15.20 H new ATOM 0 HG3 GLU A 70 36.677 69.042 17.354 1.00 15.20 H new ATOM 906 N LEU A 71 38.881 70.279 15.890 1.00 14.18 N ANISOU 906 N LEU A 71 1533 2066 1789 -211 286 -762 N ATOM 907 CA LEU A 71 40.121 69.513 15.916 1.00 14.81 C ANISOU 907 CA LEU A 71 1461 2213 1951 -248 268 -725 C ATOM 908 C LEU A 71 40.353 68.972 17.334 1.00 14.11 C ANISOU 908 C LEU A 71 1170 2280 1910 -65 472 -744 C ATOM 909 O LEU A 71 40.258 67.772 17.598 1.00 13.84 O ANISOU 909 O LEU A 71 1119 2355 1784 -205 -25 -758 O ATOM 910 CB LEU A 71 41.315 70.330 15.410 1.00 16.36 C ANISOU 910 CB LEU A 71 1621 2250 2346 -156 487 -397 C ATOM 911 CG LEU A 71 42.627 69.512 15.365 1.00 18.54 C ANISOU 911 CG LEU A 71 1595 2631 2818 -44 602 -378 C ATOM 912 CD1 LEU A 71 42.521 68.530 14.212 1.00 20.89 C ANISOU 912 CD1 LEU A 71 2200 2677 3062 -327 1415 -624 C ATOM 913 CD2 LEU A 71 43.853 70.403 15.306 1.00 22.74 C ANISOU 913 CD2 LEU A 71 1714 3462 3465 -425 362 -346 C ATOM 0 H LEU A 71 38.825 70.856 16.525 1.00 14.18 H new ATOM 0 HA LEU A 71 40.037 68.764 15.305 1.00 14.81 H new ATOM 0 HB2 LEU A 71 41.118 70.666 14.522 1.00 16.36 H new ATOM 0 HB3 LEU A 71 41.440 71.102 15.984 1.00 16.36 H new ATOM 0 HG LEU A 71 42.744 69.010 16.187 1.00 18.54 H new ATOM 0 HD11 LEU A 71 43.333 68.002 14.160 1.00 20.89 H new ATOM 0 HD12 LEU A 71 41.763 67.942 14.356 1.00 20.89 H new ATOM 0 HD13 LEU A 71 42.399 69.017 13.382 1.00 20.89 H new ATOM 0 HD21 LEU A 71 44.652 69.853 15.279 1.00 22.74 H new ATOM 0 HD22 LEU A 71 43.814 70.955 14.509 1.00 22.74 H new ATOM 0 HD23 LEU A 71 43.878 70.971 16.092 1.00 22.74 H new ATOM 925 N ASP A 72 40.612 69.920 18.211 1.00 15.33 N ANISOU 925 N ASP A 72 1467 2391 1966 -290 66 -693 N ATOM 926 CA ASP A 72 40.831 69.645 19.611 1.00 15.63 C ANISOU 926 CA ASP A 72 1638 2263 2038 -535 81 -486 C ATOM 927 C ASP A 72 39.615 70.146 20.429 1.00 16.67 C ANISOU 927 C ASP A 72 1977 2430 1926 -480 138 -755 C ATOM 928 O ASP A 72 39.240 71.310 20.530 1.00 17.32 O ANISOU 928 O ASP A 72 2300 2399 1880 -712 374 1270 O ATOM 929 CB ASP A 72 42.118 70.300 20.037 1.00 17.07 C ANISOU 929 CB ASP A 72 1835 2227 2425 -371 -278 -917 C ATOM 930 CG ASP A 72 42.502 69.953 21.457 1.00 19.03 C ANISOU 930 CG ASP A 72 1826 2904 2501 -85 -262 -679 C ATOM 931 OD1 ASP A 72 41.679 69.440 22.234 1.00 21.31 O ANISOU 931 OD1 ASP A 72 2550 3003 2546 -481 -87 -731 O ATOM 932 OD2 ASP A 72 43.682 70.202 21.767 1.00 24.91 O ANISOU 932 OD2 ASP A 72 2442 4102 2921 -1008 -798 -913 O ATOM 0 H ASP A 72 40.666 70.753 18.006 1.00 15.33 H new ATOM 0 HA ASP A 72 40.913 68.692 19.771 1.00 15.63 H new ATOM 0 HB2 ASP A 72 42.830 70.028 19.437 1.00 17.07 H new ATOM 0 HB3 ASP A 72 42.030 71.263 19.955 1.00 17.07 H new ATOM 937 N MET A 73 38.949 69.137 21.036 1.00 17.69 N ANISOU 937 N MET A 73 1846 2780 2094 -146 265 -193 N ATOM 938 CA MET A 73 37.727 69.296 21.799 1.00 17.52 C ANISOU 938 CA MET A 73 1884 2718 2054 141 254 -240 C ATOM 939 C MET A 73 37.958 70.131 23.050 1.00 19.94 C ANISOU 939 C MET A 73 2553 2721 2301 240 178 -462 C ATOM 940 O MET A 73 37.056 70.714 23.612 1.00 24.62 O ANISOU 940 O MET A 73 3019 4093 2243 447 714 -600 O ATOM 941 CB MET A 73 37.195 67.899 22.175 1.00 21.19 C ANISOU 941 CB MET A 73 2405 3134 2514 -537 775 -581 C ATOM 942 CG MET A 73 36.730 67.167 20.911 1.00 25.99 C ANISOU 942 CG MET A 73 3461 3485 2928 -670 556 -960 C ATOM 943 SD MET A 73 35.138 66.391 21.165 1.00 34.09 S ANISOU 943 SD MET A 73 3741 5403 3808 -1655 -85 1235 S ATOM 944 CE MET A 73 34.855 65.732 19.541 1.00 18.10 C ANISOU 944 CE MET A 73 1393 2713 2770 2 1014 -167 C ATOM 0 H MET A 73 39.220 68.321 21.003 1.00 17.69 H new ATOM 0 HA MET A 73 37.074 69.766 21.257 1.00 17.52 H new ATOM 0 HB2 MET A 73 37.889 67.387 22.619 1.00 21.19 H new ATOM 0 HB3 MET A 73 36.459 67.981 22.801 1.00 21.19 H new ATOM 0 HG2 MET A 73 36.673 67.794 20.173 1.00 25.99 H new ATOM 0 HG3 MET A 73 37.385 66.495 20.663 1.00 25.99 H new ATOM 0 HE1 MET A 73 33.947 65.932 19.264 1.00 18.10 H new ATOM 0 HE2 MET A 73 35.479 66.132 18.916 1.00 18.10 H new ATOM 0 HE3 MET A 73 34.984 64.771 19.555 1.00 18.10 H new ATOM 954 N SER A 74 39.215 70.166 23.474 1.00 22.45 N ANISOU 954 N SER A 74 2712 3251 2567 -155 -20 -811 N ATOM 955 CA SER A 74 39.490 70.809 24.769 1.00 24.24 C ANISOU 955 CA SER A 74 3279 3322 2610 185 -139 -905 C ATOM 956 C SER A 74 39.995 72.221 24.588 1.00 24.19 C ANISOU 956 C SER A 74 3262 3184 2745 272 -33 1173 C ATOM 957 O SER A 74 40.286 72.866 25.615 1.00 27.83 O ANISOU 957 O SER A 74 4031 3566 2979 407 -11 1653 O ATOM 958 CB SER A 74 40.522 70.000 25.596 1.00 25.66 C ANISOU 958 CB SER A 74 3319 3661 2769 178 -270 -688 C ATOM 959 OG SER A 74 41.750 70.000 24.876 1.00 29.01 O ANISOU 959 OG SER A 74 2901 3953 4166 -282 -233 -451 O ATOM 0 H SER A 74 39.896 69.844 23.059 1.00 22.45 H new ATOM 0 HA SER A 74 38.649 70.834 25.251 1.00 24.24 H new ATOM 0 HB2 SER A 74 40.642 70.397 26.473 1.00 25.66 H new ATOM 0 HB3 SER A 74 40.210 69.092 25.736 1.00 25.66 H new ATOM 0 HG SER A 74 41.610 69.760 24.083 1.00 29.01 H new ATOM 964 N VAL A 75 40.090 72.652 23.338 1.00 23.56 N ANISOU 964 N VAL A 75 3171 2928 2853 121 -60 1115 N ATOM 965 CA VAL A 75 40.386 74.042 23.042 1.00 25.58 C ANISOU 965 CA VAL A 75 3478 3098 3142 -288 -470 1059 C ATOM 966 C VAL A 75 39.521 74.577 21.909 1.00 25.65 C ANISOU 966 C VAL A 75 3475 3135 3136 -181 -279 -822 C ATOM 967 O VAL A 75 39.421 74.027 20.815 1.00 24.34 O ANISOU 967 O VAL A 75 3211 3152 2883 -306 -118 -686 O ATOM 968 CB VAL A 75 41.882 74.225 22.716 1.00 28.50 C ANISOU 968 CB VAL A 75 3495 3563 3771 -404 -504 -487 C ATOM 969 CG1 VAL A 75 42.325 73.409 21.529 1.00 30.84 C ANISOU 969 CG1 VAL A 75 3689 4005 4024 56 200 -257 C ATOM 970 CG2 VAL A 75 42.218 75.689 22.441 1.00 31.40 C ANISOU 970 CG2 VAL A 75 3800 3715 4414 -471 -435 -35 C ATOM 0 H VAL A 75 39.986 72.153 22.646 1.00 23.56 H new ATOM 0 HA VAL A 75 40.177 74.557 23.837 1.00 25.58 H new ATOM 0 HB VAL A 75 42.357 73.914 23.503 1.00 28.50 H new ATOM 0 HG11 VAL A 75 43.269 73.559 21.367 1.00 30.84 H new ATOM 0 HG12 VAL A 75 42.174 72.468 21.709 1.00 30.84 H new ATOM 0 HG13 VAL A 75 41.817 73.674 20.746 1.00 30.84 H new ATOM 0 HG21 VAL A 75 43.163 75.772 22.240 1.00 31.40 H new ATOM 0 HG22 VAL A 75 41.698 76.004 21.685 1.00 31.40 H new ATOM 0 HG23 VAL A 75 42.006 76.222 23.223 1.00 31.40 H new ATOM 980 N ASN A 76 38.872 75.704 22.180 1.00 27.77 N ANISOU 980 N ASN A 76 3773 3409 3371 73 -310 -953 N ATOM 981 CA ASN A 76 38.221 76.459 21.094 1.00 31.06 C ANISOU 981 CA ASN A 76 4118 3724 3960 221 -100 -203 C ATOM 982 C ASN A 76 39.231 77.273 20.287 1.00 28.90 C ANISOU 982 C ASN A 76 3830 3231 3920 -173 -516 -668 C ATOM 983 O ASN A 76 39.760 78.311 20.685 1.00 31.54 O ANISOU 983 O ASN A 76 3743 4197 4043 -468 -1608 -977 O ATOM 984 CB ASN A 76 37.061 77.272 21.702 1.00 34.69 C ANISOU 984 CB ASN A 76 4349 4187 4646 636 107 -1 C ATOM 985 CG ASN A 76 35.753 76.518 21.520 1.00 37.35 C ANISOU 985 CG ASN A 76 4277 4712 5202 456 340 264 C ATOM 986 OD1 ASN A 76 34.702 77.060 21.138 1.00 41.99 O ANISOU 986 OD1 ASN A 76 4534 5568 5853 585 -332 152 O ATOM 987 ND2 ASN A 76 35.769 75.215 21.775 1.00 37.24 N ANISOU 987 ND2 ASN A 76 4581 4540 5028 311 1087 -155 N ATOM 0 H ASN A 76 38.793 76.049 22.964 1.00 27.77 H new ATOM 0 HA ASN A 76 37.838 75.860 20.435 1.00 31.06 H new ATOM 0 HB2 ASN A 76 37.225 77.429 22.645 1.00 34.69 H new ATOM 0 HB3 ASN A 76 37.005 78.141 21.275 1.00 34.69 H new ATOM 0 HD21 ASN A 76 35.053 74.749 21.676 1.00 37.24 H new ATOM 0 HD22 ASN A 76 36.495 74.837 22.039 1.00 37.24 H new ATOM 994 N GLU A 77 39.541 76.788 19.087 1.00 26.61 N ANISOU 994 N GLU A 77 3546 3023 3543 -425 -665 -321 N ATOM 995 CA GLU A 77 40.530 77.288 18.164 1.00 26.82 C ANISOU 995 CA GLU A 77 3268 3232 3693 -743 -890 -304 C ATOM 996 C GLU A 77 39.894 78.316 17.225 1.00 28.24 C ANISOU 996 C GLU A 77 3330 3583 3818 -492 -544 35 C ATOM 997 O GLU A 77 40.586 78.977 16.431 1.00 33.06 O ANISOU 997 O GLU A 77 3319 4664 4578 -891 -735 796 O ATOM 998 CB GLU A 77 41.210 76.224 17.287 1.00 28.99 C ANISOU 998 CB GLU A 77 3689 3314 4012 -573 -196 -14 C ATOM 999 CG GLU A 77 41.731 74.991 17.989 1.00 28.04 C ANISOU 999 CG GLU A 77 3397 3170 4086 -835 -295 -67 C ATOM 1000 CD GLU A 77 41.302 73.569 17.793 1.00 24.89 C ANISOU 1000 CD GLU A 77 2881 3033 3545 -156 -34 -721 C ATOM 1001 OE1 GLU A 77 40.203 73.001 17.654 1.00 17.13 O ANISOU 1001 OE1 GLU A 77 2870 1950 1690 -59 518 -869 O ATOM 1002 OE2 GLU A 77 42.248 72.708 17.825 1.00 32.93 O ANISOU 1002 OE2 GLU A 77 3351 3883 5277 499 -590 -305 O ATOM 0 H GLU A 77 39.137 76.097 18.773 1.00 26.61 H new ATOM 0 HA GLU A 77 41.217 77.671 18.731 1.00 26.82 H new ATOM 0 HB2 GLU A 77 40.576 75.941 16.610 1.00 28.99 H new ATOM 0 HB3 GLU A 77 41.952 76.644 16.823 1.00 28.99 H new ATOM 0 HG2 GLU A 77 42.687 74.992 17.826 1.00 28.04 H new ATOM 0 HG3 GLU A 77 41.604 75.166 18.935 1.00 28.04 H new ATOM 1009 N GLY A 78 38.560 78.492 17.254 1.00 26.05 N ANISOU 1009 N GLY A 78 3295 3464 3140 -625 -729 -230 N ATOM 1010 CA GLY A 78 38.008 79.559 16.444 1.00 24.53 C ANISOU 1010 CA GLY A 78 3408 2827 3087 -470 -618 -707 C ATOM 1011 C GLY A 78 37.292 79.150 15.176 1.00 21.98 C ANISOU 1011 C GLY A 78 2879 2574 2900 -248 -462 -592 C ATOM 1012 O GLY A 78 36.597 79.941 14.541 1.00 25.02 O ANISOU 1012 O GLY A 78 3620 2395 3493 -355 -807 -284 O ATOM 0 H GLY A 78 37.998 78.029 17.711 1.00 26.05 H new ATOM 0 HA2 GLY A 78 37.388 80.065 16.992 1.00 24.53 H new ATOM 0 HA3 GLY A 78 38.730 80.161 16.203 1.00 24.53 H new ATOM 1016 N SER A 79 37.399 77.895 14.767 1.00 17.78 N ANISOU 1016 N SER A 79 2198 2428 2130 -503 99 -188 N ATOM 1017 CA SER A 79 36.694 77.462 13.569 1.00 17.43 C ANISOU 1017 CA SER A 79 2008 2520 2094 -366 282 -413 C ATOM 1018 C SER A 79 35.508 76.581 13.878 1.00 16.38 C ANISOU 1018 C SER A 79 1474 2568 2181 -20 248 -421 C ATOM 1019 O SER A 79 34.834 76.109 12.928 1.00 18.19 O ANISOU 1019 O SER A 79 2485 2292 2133 -663 536 -678 O ATOM 1020 CB SER A 79 37.617 76.679 12.637 1.00 16.61 C ANISOU 1020 CB SER A 79 1715 2223 2373 -396 449 -188 C ATOM 1021 OG ASER A 79 38.563 77.396 11.893 0.60 15.98 O ANISOU 1021 OG ASER A 79 1852 1960 2261 -433 307 -117 O ATOM 1022 OG BSER A 79 38.593 75.991 13.411 0.40 23.36 O ANISOU 1022 OG BSER A 79 2715 2975 3184 292 -239 -314 O ATOM 0 H SER A 79 37.865 77.288 15.159 1.00 17.78 H new ATOM 0 HA SER A 79 36.385 78.277 13.143 1.00 17.43 H new ATOM 0 HB2ASER A 79 38.093 76.025 13.172 0.60 16.61 H new ATOM 0 HB2BSER A 79 37.102 76.047 12.111 0.40 16.61 H new ATOM 0 HB3ASER A 79 37.061 76.186 12.014 0.60 16.61 H new ATOM 0 HB3BSER A 79 38.050 77.282 12.013 0.40 16.61 H new ATOM 0 HG ASER A 79 39.129 77.736 12.412 0.60 23.36 H new ATOM 0 HG BSER A 79 38.277 75.258 13.674 0.40 23.36 H new ATOM 1027 N GLU A 80 35.243 76.334 15.131 1.00 15.74 N ANISOU 1027 N GLU A 80 1597 2213 2172 -314 95 -412 N ATOM 1028 CA GLU A 80 34.136 75.456 15.462 1.00 15.06 C ANISOU 1028 CA GLU A 80 1747 1825 2152 -327 126 -700 C ATOM 1029 C GLU A 80 32.802 76.103 15.120 1.00 15.44 C ANISOU 1029 C GLU A 80 1654 1987 2224 -278 176 -734 C ATOM 1030 O GLU A 80 32.615 77.290 15.407 1.00 17.69 O ANISOU 1030 O GLU A 80 2210 2039 2472 -14 -201 -880 O ATOM 1031 CB GLU A 80 34.176 75.081 16.941 1.00 17.31 C ANISOU 1031 CB GLU A 80 2289 1956 2334 -367 116 -308 C ATOM 1032 CG GLU A 80 35.515 74.500 17.354 1.00 19.10 C ANISOU 1032 CG GLU A 80 2508 2328 2420 -27 -7 -347 C ATOM 1033 CD GLU A 80 36.584 75.476 17.824 1.00 17.82 C ANISOU 1033 CD GLU A 80 2283 2061 2427 17 5 51 C ATOM 1034 OE1 GLU A 80 36.501 76.699 17.541 1.00 20.62 O ANISOU 1034 OE1 GLU A 80 2812 2171 2851 -4 -27 325 O ATOM 1035 OE2 GLU A 80 37.516 74.923 18.492 1.00 17.34 O ANISOU 1035 OE2 GLU A 80 2229 1654 2706 398 93 -510 O ATOM 0 H GLU A 80 35.677 76.653 15.802 1.00 15.74 H new ATOM 0 HA GLU A 80 34.226 74.649 14.931 1.00 15.06 H new ATOM 0 HB2 GLU A 80 33.988 75.868 17.477 1.00 17.31 H new ATOM 0 HB3 GLU A 80 33.475 74.437 17.128 1.00 17.31 H new ATOM 0 HG2 GLU A 80 35.358 73.861 18.066 1.00 19.10 H new ATOM 0 HG3 GLU A 80 35.872 74.004 16.601 1.00 19.10 H new ATOM 1042 N GLN A 81 31.920 75.318 14.519 1.00 13.49 N ANISOU 1042 N GLN A 81 1443 1819 1862 -343 534 -497 N ATOM 1043 CA GLN A 81 30.566 75.731 14.202 1.00 13.90 C ANISOU 1043 CA GLN A 81 1553 1953 1775 -288 375 -651 C ATOM 1044 C GLN A 81 29.661 74.694 14.836 1.00 13.28 C ANISOU 1044 C GLN A 81 1294 1929 1821 -241 319 -655 C ATOM 1045 O GLN A 81 29.695 73.549 14.380 1.00 14.09 O ANISOU 1045 O GLN A 81 1480 1751 2120 -36 423 -518 O ATOM 1046 CB GLN A 81 30.280 75.815 12.711 1.00 15.23 C ANISOU 1046 CB GLN A 81 1836 2085 1865 -466 286 -520 C ATOM 1047 CG GLN A 81 30.985 76.979 12.038 1.00 16.94 C ANISOU 1047 CG GLN A 81 2266 1946 2226 -210 313 -177 C ATOM 1048 CD GLN A 81 30.689 76.952 10.544 1.00 16.24 C ANISOU 1048 CD GLN A 81 2035 1924 2212 49 267 -131 C ATOM 1049 OE1 GLN A 81 29.547 76.777 10.132 1.00 17.82 O ANISOU 1049 OE1 GLN A 81 2118 1885 2767 51 40 -275 O ATOM 1050 NE2 GLN A 81 31.751 77.146 9.754 1.00 18.62 N ANISOU 1050 NE2 GLN A 81 2284 2477 2313 -4 460 -274 N ATOM 0 H GLN A 81 32.098 74.512 14.279 1.00 13.49 H new ATOM 0 HA GLN A 81 30.421 76.629 14.540 1.00 13.90 H new ATOM 0 HB2 GLN A 81 30.555 74.987 12.287 1.00 15.23 H new ATOM 0 HB3 GLN A 81 29.323 75.900 12.574 1.00 15.23 H new ATOM 0 HG2 GLN A 81 30.686 77.818 12.422 1.00 16.94 H new ATOM 0 HG3 GLN A 81 31.941 76.923 12.190 1.00 16.94 H new ATOM 0 HE21 GLN A 81 32.529 77.264 10.101 1.00 18.62 H new ATOM 0 HE22 GLN A 81 31.656 77.153 8.899 1.00 18.62 H new ATOM 1059 N ILE A 82 28.901 75.098 15.838 1.00 14.05 N ANISOU 1059 N ILE A 82 1460 1925 1953 -436 412 -737 N ATOM 1060 CA ILE A 82 27.938 74.222 16.471 1.00 13.99 C ANISOU 1060 CA ILE A 82 1415 1981 1920 -304 310 -385 C ATOM 1061 C ILE A 82 26.540 74.505 15.930 1.00 13.43 C ANISOU 1061 C ILE A 82 1324 1852 1927 -213 490 -516 C ATOM 1062 O ILE A 82 26.093 75.649 15.954 1.00 16.45 O ANISOU 1062 O ILE A 82 1623 1918 2708 -135 -53 -751 O ATOM 1063 CB ILE A 82 27.948 74.470 17.998 1.00 14.90 C ANISOU 1063 CB ILE A 82 1721 1976 1963 -338 367 -510 C ATOM 1064 CG1 ILE A 82 29.308 74.301 18.667 1.00 16.28 C ANISOU 1064 CG1 ILE A 82 1892 2209 2086 -393 81 -709 C ATOM 1065 CG2 ILE A 82 26.879 73.605 18.686 1.00 15.84 C ANISOU 1065 CG2 ILE A 82 1843 2165 2012 -389 614 -598 C ATOM 1066 CD1 ILE A 82 29.350 74.714 20.128 1.00 18.33 C ANISOU 1066 CD1 ILE A 82 2274 2731 1960 -574 244 -582 C ATOM 0 H ILE A 82 28.930 75.891 16.171 1.00 14.05 H new ATOM 0 HA ILE A 82 28.175 73.301 16.282 1.00 13.99 H new ATOM 0 HB ILE A 82 27.734 75.409 18.112 1.00 14.90 H new ATOM 0 HG12 ILE A 82 29.576 73.371 18.598 1.00 16.28 H new ATOM 0 HG13 ILE A 82 29.963 74.822 18.177 1.00 16.28 H new ATOM 0 HG21 ILE A 82 26.895 73.769 19.642 1.00 15.84 H new ATOM 0 HG22 ILE A 82 26.004 73.831 18.334 1.00 15.84 H new ATOM 0 HG23 ILE A 82 27.063 72.668 18.516 1.00 15.84 H new ATOM 0 HD11 ILE A 82 30.244 74.577 20.478 1.00 18.33 H new ATOM 0 HD12 ILE A 82 29.113 75.651 20.206 1.00 18.33 H new ATOM 0 HD13 ILE A 82 28.720 74.178 20.634 1.00 18.33 H new ATOM 1078 N ILE A 83 25.903 73.467 15.412 1.00 12.42 N ANISOU 1078 N ILE A 83 1357 1751 1612 -177 331 -301 N ATOM 1079 CA ILE A 83 24.547 73.645 14.850 1.00 12.69 C ANISOU 1079 CA ILE A 83 1342 1734 1745 -17 313 -528 C ATOM 1080 C ILE A 83 23.702 72.496 15.327 1.00 11.58 C ANISOU 1080 C ILE A 83 1177 1756 1468 91 184 -423 C ATOM 1081 O ILE A 83 24.014 71.339 15.197 1.00 13.25 O ANISOU 1081 O ILE A 83 1239 1778 2016 -14 523 -592 O ATOM 1082 CB ILE A 83 24.563 73.723 13.314 1.00 13.47 C ANISOU 1082 CB ILE A 83 1584 1743 1790 -325 126 -258 C ATOM 1083 CG1 ILE A 83 25.607 74.672 12.740 1.00 16.23 C ANISOU 1083 CG1 ILE A 83 1762 2398 2006 -493 405 -227 C ATOM 1084 CG2 ILE A 83 23.158 74.006 12.784 1.00 13.95 C ANISOU 1084 CG2 ILE A 83 1615 1840 1846 -212 146 -371 C ATOM 1085 CD1 ILE A 83 25.650 74.957 11.274 1.00 19.81 C ANISOU 1085 CD1 ILE A 83 1943 3421 2164 -337 676 194 C ATOM 0 H ILE A 83 26.217 72.667 15.370 1.00 12.42 H new ATOM 0 HA ILE A 83 24.177 74.488 15.155 1.00 12.69 H new ATOM 0 HB ILE A 83 24.845 72.850 12.997 1.00 13.47 H new ATOM 0 HG12 ILE A 83 25.501 75.523 13.194 1.00 16.23 H new ATOM 0 HG13 ILE A 83 26.478 74.324 12.989 1.00 16.23 H new ATOM 0 HG21 ILE A 83 23.181 74.053 11.815 1.00 13.95 H new ATOM 0 HG22 ILE A 83 22.559 73.294 13.059 1.00 13.95 H new ATOM 0 HG23 ILE A 83 22.841 74.851 13.141 1.00 13.95 H new ATOM 0 HD11 ILE A 83 26.372 75.577 11.086 1.00 19.81 H new ATOM 0 HD12 ILE A 83 25.799 74.131 10.788 1.00 19.81 H new ATOM 0 HD13 ILE A 83 24.807 75.348 10.995 1.00 19.81 H new ATOM 1097 N THR A 84 22.530 72.835 15.887 1.00 12.46 N ANISOU 1097 N THR A 84 1272 1701 1760 6 283 -597 N ATOM 1098 CA THR A 84 21.613 71.798 16.308 1.00 13.93 C ANISOU 1098 CA THR A 84 1401 2068 1823 -196 450 -680 C ATOM 1099 C THR A 84 21.031 71.108 15.069 1.00 11.30 C ANISOU 1099 C THR A 84 920 1729 1644 -85 390 317 C ATOM 1100 O THR A 84 20.875 71.643 13.972 1.00 13.80 O ANISOU 1100 O THR A 84 1607 1711 1925 9 191 -84 O ATOM 1101 CB THR A 84 20.494 72.394 17.177 1.00 14.81 C ANISOU 1101 CB THR A 84 1446 2153 2030 -21 450 -743 C ATOM 1102 OG1 THR A 84 19.785 73.257 16.297 1.00 19.95 O ANISOU 1102 OG1 THR A 84 2160 3026 2394 539 147 -613 O ATOM 1103 CG2 THR A 84 21.086 73.174 18.325 1.00 15.51 C ANISOU 1103 CG2 THR A 84 1420 2469 2003 70 576 -894 C ATOM 0 H THR A 84 22.263 73.641 16.024 1.00 12.46 H new ATOM 0 HA THR A 84 22.088 71.143 16.843 1.00 13.93 H new ATOM 0 HB THR A 84 19.921 71.716 17.567 1.00 14.81 H new ATOM 0 HG1 THR A 84 19.151 73.620 16.711 1.00 19.95 H new ATOM 0 HG21 THR A 84 20.372 73.545 18.866 1.00 15.51 H new ATOM 0 HG22 THR A 84 21.631 72.585 18.870 1.00 15.51 H new ATOM 0 HG23 THR A 84 21.636 73.894 17.978 1.00 15.51 H new ATOM 1110 N VAL A 85 20.714 69.847 15.358 1.00 11.14 N ANISOU 1110 N VAL A 85 1253 1705 1275 -19 418 -306 N ATOM 1111 CA VAL A 85 20.061 68.968 14.405 1.00 11.23 C ANISOU 1111 CA VAL A 85 1259 1745 1264 -143 350 -275 C ATOM 1112 C VAL A 85 18.557 69.212 14.499 1.00 12.77 C ANISOU 1112 C VAL A 85 1282 1815 1755 -140 411 -298 C ATOM 1113 O VAL A 85 17.986 69.160 15.604 1.00 13.94 O ANISOU 1113 O VAL A 85 1177 2252 1866 -162 452 -518 O ATOM 1114 CB VAL A 85 20.340 67.478 14.692 1.00 11.66 C ANISOU 1114 CB VAL A 85 1180 1766 1485 -205 331 -259 C ATOM 1115 CG1 VAL A 85 19.546 66.574 13.785 1.00 11.94 C ANISOU 1115 CG1 VAL A 85 1012 1766 1760 -70 328 -440 C ATOM 1116 CG2 VAL A 85 21.839 67.159 14.520 1.00 12.56 C ANISOU 1116 CG2 VAL A 85 1125 2091 1554 -65 192 -246 C ATOM 0 H VAL A 85 20.875 69.480 16.119 1.00 11.14 H new ATOM 0 HA VAL A 85 20.408 69.164 13.521 1.00 11.23 H new ATOM 0 HB VAL A 85 20.070 67.316 15.610 1.00 11.66 H new ATOM 0 HG11 VAL A 85 19.747 65.648 13.994 1.00 11.94 H new ATOM 0 HG12 VAL A 85 18.599 66.736 13.915 1.00 11.94 H new ATOM 0 HG13 VAL A 85 19.781 66.755 12.861 1.00 11.94 H new ATOM 0 HG21 VAL A 85 21.993 66.219 14.705 1.00 12.56 H new ATOM 0 HG22 VAL A 85 22.110 67.358 13.610 1.00 12.56 H new ATOM 0 HG23 VAL A 85 22.358 67.699 15.137 1.00 12.56 H new ATOM 1126 N SER A 86 17.909 69.482 13.378 1.00 12.28 N ANISOU 1126 N SER A 86 1181 1626 1860 -109 244 -572 N ATOM 1127 CA SER A 86 16.482 69.736 13.311 1.00 13.46 C ANISOU 1127 CA SER A 86 1205 1860 2050 -55 365 -735 C ATOM 1128 C SER A 86 15.682 68.524 12.856 1.00 12.89 C ANISOU 1128 C SER A 86 1152 2154 1593 -61 119 -860 C ATOM 1129 O SER A 86 14.503 68.422 13.188 1.00 15.48 O ANISOU 1129 O SER A 86 1220 2385 2279 -199 272 1115 O ATOM 1130 CB SER A 86 16.182 70.950 12.429 1.00 17.48 C ANISOU 1130 CB SER A 86 1719 2245 2676 318 71 -322 C ATOM 1131 OG SER A 86 16.556 70.803 11.078 1.00 24.30 O ANISOU 1131 OG SER A 86 3376 3213 2646 312 330 110 O ATOM 0 H SER A 86 18.299 69.524 12.613 1.00 12.28 H new ATOM 0 HA SER A 86 16.196 69.931 14.217 1.00 13.46 H new ATOM 0 HB2 SER A 86 15.231 71.137 12.470 1.00 17.48 H new ATOM 0 HB3 SER A 86 16.639 71.722 12.796 1.00 17.48 H new ATOM 0 HG SER A 86 17.172 70.235 11.018 1.00 24.30 H new ATOM 1136 N LYS A 87 16.236 67.592 12.108 1.00 12.11 N ANISOU 1136 N LYS A 87 1255 1734 1611 -72 208 -491 N ATOM 1137 CA LYS A 87 15.501 66.446 11.622 1.00 11.73 C ANISOU 1137 CA LYS A 87 1369 1688 1399 -71 301 -482 C ATOM 1138 C LYS A 87 16.486 65.287 11.435 1.00 11.07 C ANISOU 1138 C LYS A 87 1095 1712 1400 -185 457 -419 C ATOM 1139 O LYS A 87 17.621 65.520 11.036 1.00 12.96 O ANISOU 1139 O LYS A 87 1026 2113 1785 -340 408 -508 O ATOM 1140 CB LYS A 87 14.830 66.676 10.271 1.00 14.32 C ANISOU 1140 CB LYS A 87 1774 1932 1737 -366 -144 -166 C ATOM 1141 CG LYS A 87 13.844 67.785 10.155 1.00 17.59 C ANISOU 1141 CG LYS A 87 2010 2500 2174 20 -211 -63 C ATOM 1142 CD LYS A 87 12.492 67.317 10.686 1.00 19.51 C ANISOU 1142 CD LYS A 87 2083 2641 2689 142 86 57 C ATOM 1143 CE LYS A 87 11.589 68.520 10.931 1.00 18.95 C ANISOU 1143 CE LYS A 87 1970 2545 2683 144 -270 58 C ATOM 1144 NZ LYS A 87 10.308 68.104 11.567 1.00 21.27 N ANISOU 1144 NZ LYS A 87 2288 2625 3167 93 288 -319 N ATOM 0 H LYS A 87 17.061 67.607 11.865 1.00 12.11 H new ATOM 0 HA LYS A 87 14.808 66.264 12.276 1.00 11.73 H new ATOM 0 HB2 LYS A 87 15.528 66.831 9.616 1.00 14.32 H new ATOM 0 HB3 LYS A 87 14.382 65.854 10.019 1.00 14.32 H new ATOM 0 HG2 LYS A 87 14.150 68.557 10.656 1.00 17.59 H new ATOM 0 HG3 LYS A 87 13.761 68.062 9.229 1.00 17.59 H new ATOM 0 HD2 LYS A 87 12.076 66.714 10.050 1.00 19.51 H new ATOM 0 HD3 LYS A 87 12.613 66.820 11.510 1.00 19.51 H new ATOM 0 HE2 LYS A 87 12.044 69.160 11.501 1.00 18.95 H new ATOM 0 HE3 LYS A 87 11.406 68.968 10.090 1.00 18.95 H new ATOM 0 HZ1 LYS A 87 9.736 68.786 11.556 1.00 21.27 H new ATOM 0 HZ2 LYS A 87 9.961 67.419 11.117 1.00 21.27 H new ATOM 0 HZ3 LYS A 87 10.460 67.858 12.409 1.00 21.27 H new ATOM 1158 N ILE A 88 16.026 64.102 11.672 1.00 11.11 N ANISOU 1158 N ILE A 88 1086 1636 1499 -99 496 -472 N ATOM 1159 CA ILE A 88 16.746 62.884 11.340 1.00 10.94 C ANISOU 1159 CA ILE A 88 947 1682 1526 -175 409 626 C ATOM 1160 C ILE A 88 16.036 62.091 10.266 1.00 9.87 C ANISOU 1160 C ILE A 88 829 1503 1418 -91 366 406 C ATOM 1161 O ILE A 88 14.839 61.881 10.366 1.00 11.19 O ANISOU 1161 O ILE A 88 850 1914 1490 -140 410 457 O ATOM 1162 CB ILE A 88 16.921 62.069 12.614 1.00 11.82 C ANISOU 1162 CB ILE A 88 1279 1699 1515 61 281 -646 C ATOM 1163 CG1 ILE A 88 17.728 62.834 13.699 1.00 13.60 C ANISOU 1163 CG1 ILE A 88 1494 1952 1720 136 167 -881 C ATOM 1164 CG2 ILE A 88 17.543 60.745 12.244 1.00 12.12 C ANISOU 1164 CG2 ILE A 88 1080 1932 1592 177 -74 -833 C ATOM 1165 CD1 ILE A 88 17.624 62.129 15.028 1.00 17.40 C ANISOU 1165 CD1 ILE A 88 2463 2339 1808 144 -372 -668 C ATOM 0 H ILE A 88 15.263 63.960 12.042 1.00 11.11 H new ATOM 0 HA ILE A 88 17.616 63.111 10.977 1.00 10.94 H new ATOM 0 HB ILE A 88 16.055 61.910 13.021 1.00 11.82 H new ATOM 0 HG12 ILE A 88 18.658 62.898 13.433 1.00 13.60 H new ATOM 0 HG13 ILE A 88 17.393 63.741 13.780 1.00 13.60 H new ATOM 0 HG21 ILE A 88 17.663 60.209 13.044 1.00 12.12 H new ATOM 0 HG22 ILE A 88 16.962 60.276 11.625 1.00 12.12 H new ATOM 0 HG23 ILE A 88 18.404 60.898 11.825 1.00 12.12 H new ATOM 0 HD11 ILE A 88 18.132 62.618 15.694 1.00 17.40 H new ATOM 0 HD12 ILE A 88 16.694 62.085 15.299 1.00 17.40 H new ATOM 0 HD13 ILE A 88 17.979 61.230 14.946 1.00 17.40 H new ATOM 1177 N ILE A 89 16.747 61.678 9.237 1.00 10.20 N ANISOU 1177 N ILE A 89 834 1417 1625 115 343 594 N ATOM 1178 CA ILE A 89 16.181 60.886 8.128 1.00 9.25 C ANISOU 1178 CA ILE A 89 627 1514 1374 -25 315 345 C ATOM 1179 C ILE A 89 16.899 59.540 8.126 1.00 9.34 C ANISOU 1179 C ILE A 89 791 1371 1388 -153 247 530 C ATOM 1180 O ILE A 89 17.998 59.424 7.580 1.00 10.37 O ANISOU 1180 O ILE A 89 690 1566 1686 72 241 396 O ATOM 1181 CB ILE A 89 16.269 61.630 6.807 1.00 11.22 C ANISOU 1181 CB ILE A 89 957 1737 1569 -64 425 145 C ATOM 1182 CG1 ILE A 89 15.618 62.994 6.891 1.00 15.75 C ANISOU 1182 CG1 ILE A 89 1817 2215 1950 669 234 111 C ATOM 1183 CG2 ILE A 89 15.624 60.796 5.717 1.00 15.43 C ANISOU 1183 CG2 ILE A 89 1428 2977 1458 392 -43 -517 C ATOM 1184 CD1 ILE A 89 15.877 63.962 5.788 1.00 23.46 C ANISOU 1184 CD1 ILE A 89 3100 2514 3297 902 790 880 C ATOM 0 H ILE A 89 17.586 61.845 9.148 1.00 10.20 H new ATOM 0 HA ILE A 89 15.231 60.736 8.253 1.00 9.25 H new ATOM 0 HB ILE A 89 17.205 61.772 6.595 1.00 11.22 H new ATOM 0 HG12 ILE A 89 14.659 62.862 6.952 1.00 15.75 H new ATOM 0 HG13 ILE A 89 15.901 63.407 7.722 1.00 15.75 H new ATOM 0 HG21 ILE A 89 15.679 61.269 4.872 1.00 15.43 H new ATOM 0 HG22 ILE A 89 16.087 59.947 5.642 1.00 15.43 H new ATOM 0 HG23 ILE A 89 14.693 60.638 5.939 1.00 15.43 H new ATOM 0 HD11 ILE A 89 15.403 64.790 5.966 1.00 23.46 H new ATOM 0 HD12 ILE A 89 16.829 64.140 5.731 1.00 23.46 H new ATOM 0 HD13 ILE A 89 15.568 63.587 4.949 1.00 23.46 H new ATOM 1196 N LEU A 90 16.343 58.576 8.795 1.00 8.99 N ANISOU 1196 N LEU A 90 849 1468 1099 5 78 417 N ATOM 1197 CA LEU A 90 16.875 57.235 8.927 1.00 8.52 C ANISOU 1197 CA LEU A 90 785 1501 951 24 67 364 C ATOM 1198 C LEU A 90 16.421 56.391 7.749 1.00 8.62 C ANISOU 1198 C LEU A 90 679 1516 1080 80 82 435 C ATOM 1199 O LEU A 90 15.248 56.422 7.382 1.00 11.54 O ANISOU 1199 O LEU A 90 723 2060 1602 149 -112 726 O ATOM 1200 CB LEU A 90 16.437 56.626 10.262 1.00 9.60 C ANISOU 1200 CB LEU A 90 903 1612 1134 57 386 298 C ATOM 1201 CG LEU A 90 16.810 55.176 10.549 1.00 9.18 C ANISOU 1201 CG LEU A 90 800 1643 1045 -15 225 213 C ATOM 1202 CD1 LEU A 90 18.315 55.013 10.548 1.00 8.84 C ANISOU 1202 CD1 LEU A 90 779 1546 1035 -117 17 416 C ATOM 1203 CD2 LEU A 90 16.186 54.742 11.865 1.00 10.75 C ANISOU 1203 CD2 LEU A 90 1098 2128 857 -46 113 -103 C ATOM 0 H LEU A 90 15.599 58.681 9.214 1.00 8.99 H new ATOM 0 HA LEU A 90 17.845 57.263 8.922 1.00 8.52 H new ATOM 0 HB2 LEU A 90 16.806 57.173 10.973 1.00 9.60 H new ATOM 0 HB3 LEU A 90 15.472 56.701 10.319 1.00 9.60 H new ATOM 0 HG LEU A 90 16.460 54.601 9.851 1.00 9.18 H new ATOM 0 HD11 LEU A 90 18.541 54.088 10.731 1.00 8.84 H new ATOM 0 HD12 LEU A 90 18.667 55.265 9.680 1.00 8.84 H new ATOM 0 HD13 LEU A 90 18.703 55.581 11.232 1.00 8.84 H new ATOM 0 HD21 LEU A 90 16.424 53.819 12.047 1.00 10.75 H new ATOM 0 HD22 LEU A 90 16.515 55.308 12.581 1.00 10.75 H new ATOM 0 HD23 LEU A 90 15.221 54.822 11.808 1.00 10.75 H new ATOM 1215 N HIS A 91 17.308 55.604 7.170 1.00 7.37 N ANISOU 1215 N HIS A 91 624 1323 852 51 -70 332 N ATOM 1216 CA HIS A 91 16.935 54.664 6.131 1.00 6.99 C ANISOU 1216 CA HIS A 91 720 1298 638 -38 73 207 C ATOM 1217 C HIS A 91 15.787 53.797 6.628 1.00 6.85 C ANISOU 1217 C HIS A 91 627 1231 743 70 52 222 C ATOM 1218 O HIS A 91 15.885 53.149 7.655 1.00 7.93 O ANISOU 1218 O HIS A 91 855 1409 748 -110 66 102 O ATOM 1219 CB HIS A 91 18.151 53.866 5.718 1.00 6.91 C ANISOU 1219 CB HIS A 91 646 1248 731 -12 57 113 C ATOM 1220 CG HIS A 91 18.003 53.073 4.464 1.00 7.43 C ANISOU 1220 CG HIS A 91 742 1307 774 -18 30 178 C ATOM 1221 ND1 HIS A 91 17.025 52.071 4.270 1.00 7.40 N ANISOU 1221 ND1 HIS A 91 727 1379 707 8 -131 183 N ATOM 1222 CD2 HIS A 91 18.751 53.084 3.340 1.00 7.87 C ANISOU 1222 CD2 HIS A 91 813 1413 765 -52 57 254 C ATOM 1223 CE1 HIS A 91 17.247 51.561 3.071 1.00 7.60 C ANISOU 1223 CE1 HIS A 91 701 1369 819 46 46 270 C ATOM 1224 NE2 HIS A 91 18.289 52.165 2.450 1.00 7.25 N ANISOU 1224 NE2 HIS A 91 610 1269 876 91 -18 212 N ATOM 0 H HIS A 91 18.145 55.599 7.368 1.00 7.37 H new ATOM 0 HA HIS A 91 16.619 55.126 5.339 1.00 6.99 H new ATOM 0 HB2 HIS A 91 18.897 54.476 5.610 1.00 6.91 H new ATOM 0 HB3 HIS A 91 18.382 53.260 6.440 1.00 6.91 H new ATOM 0 HD2 HIS A 91 19.481 53.642 3.195 1.00 7.87 H new ATOM 0 HE1 HIS A 91 16.748 50.870 2.698 1.00 7.60 H new ATOM 0 HE2 HIS A 91 18.593 52.002 1.662 1.00 7.25 H new ATOM 1231 N GLU A 92 14.702 53.736 5.824 1.00 8.43 N ANISOU 1231 N GLU A 92 593 1593 1015 49 -51 265 N ATOM 1232 CA GLU A 92 13.513 53.044 6.317 1.00 9.06 C ANISOU 1232 CA GLU A 92 664 1713 1065 -21 -53 306 C ATOM 1233 C GLU A 92 13.669 51.543 6.368 1.00 9.05 C ANISOU 1233 C GLU A 92 716 1672 1050 -21 171 257 C ATOM 1234 O GLU A 92 12.850 50.867 6.998 1.00 11.49 O ANISOU 1234 O GLU A 92 964 1885 1517 -21 475 143 O ATOM 1235 CB GLU A 92 12.274 53.423 5.480 1.00 13.16 C ANISOU 1235 CB GLU A 92 754 2156 2090 -179 -473 208 C ATOM 1236 CG GLU A 92 11.891 54.868 5.615 1.00 18.77 C ANISOU 1236 CG GLU A 92 1705 2427 2998 526 -406 81 C ATOM 1237 CD GLU A 92 11.095 55.259 6.808 1.00 26.04 C ANISOU 1237 CD GLU A 92 3071 3035 3786 406 546 -322 C ATOM 1238 OE1 GLU A 92 10.579 54.356 7.504 1.00 33.97 O ANISOU 1238 OE1 GLU A 92 4534 4222 4152 72 1195 330 O ATOM 1239 OE2 GLU A 92 10.994 56.507 7.008 1.00 32.20 O ANISOU 1239 OE2 GLU A 92 4098 3291 4846 823 556 -893 O ATOM 0 H GLU A 92 14.643 54.072 5.035 1.00 8.43 H new ATOM 0 HA GLU A 92 13.390 53.341 7.232 1.00 9.06 H new ATOM 0 HB2 GLU A 92 12.449 53.226 4.546 1.00 13.16 H new ATOM 0 HB3 GLU A 92 11.525 52.869 5.751 1.00 13.16 H new ATOM 0 HG2 GLU A 92 12.705 55.395 5.613 1.00 18.77 H new ATOM 0 HG3 GLU A 92 11.388 55.119 4.824 1.00 18.77 H new ATOM 1246 N ASN A 93 14.723 50.993 5.746 1.00 7.49 N ANISOU 1246 N ASN A 93 474 1584 788 2 -87 -55 N ATOM 1247 CA ASN A 93 15.002 49.557 5.871 1.00 8.13 C ANISOU 1247 CA ASN A 93 638 1642 809 122 -154 123 C ATOM 1248 C ASN A 93 16.215 49.266 6.750 1.00 7.73 C ANISOU 1248 C ASN A 93 791 1492 654 -33 -156 -4 C ATOM 1249 O ASN A 93 16.775 48.168 6.713 1.00 7.89 O ANISOU 1249 O ASN A 93 734 1501 763 -21 -241 50 O ATOM 1250 CB ASN A 93 15.145 48.909 4.502 1.00 7.79 C ANISOU 1250 CB ASN A 93 657 1491 814 -107 -137 137 C ATOM 1251 CG ASN A 93 13.984 49.215 3.562 1.00 8.12 C ANISOU 1251 CG ASN A 93 748 1549 788 -54 -185 306 C ATOM 1252 OD1 ASN A 93 14.189 49.667 2.446 1.00 9.60 O ANISOU 1252 OD1 ASN A 93 962 1828 857 135 -198 162 O ATOM 1253 ND2 ASN A 93 12.776 48.939 4.018 1.00 11.70 N ANISOU 1253 ND2 ASN A 93 768 2597 1080 -363 -288 226 N ATOM 0 H ASN A 93 15.279 51.428 5.255 1.00 7.49 H new ATOM 0 HA ASN A 93 14.238 49.162 6.318 1.00 8.13 H new ATOM 0 HB2 ASN A 93 15.971 49.211 4.093 1.00 7.79 H new ATOM 0 HB3 ASN A 93 15.218 47.948 4.613 1.00 7.79 H new ATOM 0 HD21 ASN A 93 12.087 49.077 3.522 1.00 11.70 H new ATOM 0 HD22 ASN A 93 12.678 48.622 4.811 1.00 11.70 H new ATOM 1260 N PHE A 94 16.588 50.231 7.580 1.00 7.80 N ANISOU 1260 N PHE A 94 612 1642 710 -91 -24 101 N ATOM 1261 CA PHE A 94 17.609 49.963 8.608 1.00 7.51 C ANISOU 1261 CA PHE A 94 619 1764 471 -84 83 148 C ATOM 1262 C PHE A 94 17.266 48.729 9.418 1.00 8.62 C ANISOU 1262 C PHE A 94 920 1754 603 -15 147 -92 C ATOM 1263 O PHE A 94 16.111 48.617 9.879 1.00 10.49 O ANISOU 1263 O PHE A 94 752 2219 1016 -139 135 138 O ATOM 1264 CB PHE A 94 17.752 51.212 9.508 1.00 8.26 C ANISOU 1264 CB PHE A 94 848 1667 625 56 -37 139 C ATOM 1265 CG PHE A 94 18.667 51.016 10.686 1.00 8.05 C ANISOU 1265 CG PHE A 94 801 1674 583 -190 -29 129 C ATOM 1266 CD1 PHE A 94 20.034 50.800 10.499 1.00 8.49 C ANISOU 1266 CD1 PHE A 94 748 1684 794 -282 11 33 C ATOM 1267 CD2 PHE A 94 18.184 51.033 11.972 1.00 9.15 C ANISOU 1267 CD2 PHE A 94 1019 1866 591 29 11 -309 C ATOM 1268 CE1 PHE A 94 20.874 50.625 11.569 1.00 10.14 C ANISOU 1268 CE1 PHE A 94 853 2175 824 -274 -109 174 C ATOM 1269 CE2 PHE A 94 19.052 50.842 13.037 1.00 9.65 C ANISOU 1269 CE2 PHE A 94 1148 1937 583 -191 -54 -228 C ATOM 1270 CZ PHE A 94 20.367 50.597 12.837 1.00 9.86 C ANISOU 1270 CZ PHE A 94 1086 1864 796 -228 -106 -217 C ATOM 0 H PHE A 94 16.276 51.032 7.573 1.00 7.80 H new ATOM 0 HA PHE A 94 18.459 49.783 8.177 1.00 7.51 H new ATOM 0 HB2 PHE A 94 18.084 51.949 8.972 1.00 8.26 H new ATOM 0 HB3 PHE A 94 16.874 51.469 9.831 1.00 8.26 H new ATOM 0 HD1 PHE A 94 20.380 50.774 9.636 1.00 8.49 H new ATOM 0 HD2 PHE A 94 17.278 51.172 12.128 1.00 9.15 H new ATOM 0 HE1 PHE A 94 21.788 50.525 11.431 1.00 10.14 H new ATOM 0 HE2 PHE A 94 18.723 50.883 13.906 1.00 9.65 H new ATOM 0 HZ PHE A 94 20.923 50.411 13.559 1.00 9.86 H new ATOM 1280 N ASP A 95 18.209 47.868 9.660 1.00 8.71 N ANISOU 1280 N ASP A 95 899 1724 688 39 107 151 N ATOM 1281 CA ASP A 95 18.017 46.712 10.560 1.00 10.07 C ANISOU 1281 CA ASP A 95 797 1889 1141 71 41 89 C ATOM 1282 C ASP A 95 18.882 46.964 11.800 1.00 8.90 C ANISOU 1282 C ASP A 95 755 1572 1056 116 72 160 C ATOM 1283 O ASP A 95 20.099 46.933 11.723 1.00 9.81 O ANISOU 1283 O ASP A 95 793 1776 1157 -87 73 281 O ATOM 1284 CB ASP A 95 18.343 45.420 9.869 1.00 11.46 C ANISOU 1284 CB ASP A 95 1267 1815 1274 -103 77 -39 C ATOM 1285 CG ASP A 95 18.196 44.191 10.732 1.00 13.33 C ANISOU 1285 CG ASP A 95 1657 1888 1519 -277 544 22 C ATOM 1286 OD1 ASP A 95 18.509 44.145 11.930 1.00 14.80 O ANISOU 1286 OD1 ASP A 95 1530 2363 1730 -120 216 452 O ATOM 1287 OD2 ASP A 95 17.774 43.186 10.124 1.00 18.74 O ANISOU 1287 OD2 ASP A 95 2764 2048 2307 -641 517 -186 O ATOM 0 H ASP A 95 18.996 47.916 9.315 1.00 8.71 H new ATOM 0 HA ASP A 95 17.088 46.624 10.825 1.00 10.07 H new ATOM 0 HB2 ASP A 95 17.767 45.327 9.094 1.00 11.46 H new ATOM 0 HB3 ASP A 95 19.255 45.463 9.541 1.00 11.46 H new ATOM 1292 N TYR A 96 18.224 47.190 12.924 1.00 10.51 N ANISOU 1292 N TYR A 96 953 1840 1202 -98 215 -29 N ATOM 1293 CA TYR A 96 18.920 47.594 14.149 1.00 14.00 C ANISOU 1293 CA TYR A 96 1965 2022 1332 201 -116 -371 C ATOM 1294 C TYR A 96 19.789 46.491 14.690 1.00 13.45 C ANISOU 1294 C TYR A 96 1692 2078 1339 -211 -107 238 C ATOM 1295 O TYR A 96 20.733 46.785 15.436 1.00 18.41 O ANISOU 1295 O TYR A 96 2243 2580 2170 -213 -734 71 O ATOM 1296 CB TYR A 96 17.962 48.116 15.236 1.00 19.06 C ANISOU 1296 CB TYR A 96 2625 2749 1869 103 456 -796 C ATOM 1297 CG TYR A 96 16.866 47.207 15.710 1.00 24.52 C ANISOU 1297 CG TYR A 96 2879 3506 2931 13 957 -210 C ATOM 1298 CD1 TYR A 96 17.072 46.253 16.686 1.00 27.93 C ANISOU 1298 CD1 TYR A 96 3306 3619 3686 -102 819 239 C ATOM 1299 CD2 TYR A 96 15.591 47.319 15.163 1.00 26.94 C ANISOU 1299 CD2 TYR A 96 3010 3709 3515 -650 606 154 C ATOM 1300 CE1 TYR A 96 16.053 45.419 17.123 1.00 29.82 C ANISOU 1300 CE1 TYR A 96 3564 3883 3884 -229 1057 276 C ATOM 1301 CE2 TYR A 96 14.553 46.493 15.580 1.00 29.17 C ANISOU 1301 CE2 TYR A 96 3366 3790 3927 -812 776 308 C ATOM 1302 CZ TYR A 96 14.806 45.558 16.553 1.00 30.69 C ANISOU 1302 CZ TYR A 96 3630 4038 3993 -765 849 460 C ATOM 1303 OH TYR A 96 13.746 44.748 16.940 1.00 32.99 O ANISOU 1303 OH TYR A 96 3827 4354 4353 -791 1421 627 O ATOM 0 H TYR A 96 17.371 47.117 13.006 1.00 10.51 H new ATOM 0 HA TYR A 96 19.494 48.334 13.895 1.00 14.00 H new ATOM 0 HB2 TYR A 96 18.496 48.364 16.007 1.00 19.06 H new ATOM 0 HB3 TYR A 96 17.550 48.928 14.903 1.00 19.06 H new ATOM 0 HD1 TYR A 96 17.918 46.167 17.062 1.00 27.93 H new ATOM 0 HD2 TYR A 96 15.430 47.958 14.507 1.00 26.94 H new ATOM 0 HE1 TYR A 96 16.207 44.783 17.783 1.00 29.82 H new ATOM 0 HE2 TYR A 96 13.705 46.572 15.207 1.00 29.17 H new ATOM 0 HH TYR A 96 13.060 44.957 16.503 1.00 32.99 H new ATOM 1312 N ASN A 97 19.494 45.259 14.344 1.00 12.17 N ANISOU 1312 N ASN A 97 1666 2099 858 165 67 45 N ATOM 1313 CA ASN A 97 20.319 44.164 14.845 1.00 12.75 C ANISOU 1313 CA ASN A 97 1694 2146 1004 72 215 415 C ATOM 1314 C ASN A 97 21.508 43.868 13.941 1.00 12.99 C ANISOU 1314 C ASN A 97 1453 2357 1127 163 -36 22 C ATOM 1315 O ASN A 97 22.661 43.845 14.348 1.00 16.75 O ANISOU 1315 O ASN A 97 1563 3361 1442 309 -263 15 O ATOM 1316 CB ASN A 97 19.510 42.898 15.022 1.00 14.74 C ANISOU 1316 CB ASN A 97 1832 2069 1701 -36 206 29 C ATOM 1317 CG ASN A 97 18.576 42.981 16.232 1.00 15.55 C ANISOU 1317 CG ASN A 97 1789 2303 1815 -430 304 189 C ATOM 1318 OD1 ASN A 97 17.400 42.702 16.062 1.00 20.63 O ANISOU 1318 OD1 ASN A 97 1496 3403 2940 -18 183 208 O ATOM 1319 ND2 ASN A 97 19.070 43.329 17.391 1.00 18.55 N ANISOU 1319 ND2 ASN A 97 2351 3219 1477 -102 226 369 N ATOM 0 H ASN A 97 18.840 45.029 13.834 1.00 12.17 H new ATOM 0 HA ASN A 97 20.654 44.459 15.706 1.00 12.75 H new ATOM 0 HB2 ASN A 97 18.987 42.734 14.221 1.00 14.74 H new ATOM 0 HB3 ASN A 97 20.110 42.143 15.128 1.00 14.74 H new ATOM 0 HD21 ASN A 97 18.559 43.370 18.081 1.00 18.55 H new ATOM 0 HD22 ASN A 97 19.906 43.517 17.463 1.00 18.55 H new ATOM 1326 N LEU A 98 21.252 43.624 12.655 1.00 10.75 N ANISOU 1326 N LEU A 98 1145 1853 1087 -27 133 15 N ATOM 1327 CA LEU A 98 22.293 43.207 11.717 1.00 9.64 C ANISOU 1327 CA LEU A 98 882 1614 1167 78 -22 80 C ATOM 1328 C LEU A 98 22.964 44.343 10.979 1.00 8.95 C ANISOU 1328 C LEU A 98 830 1591 979 88 10 -47 C ATOM 1329 O LEU A 98 24.022 44.172 10.345 1.00 11.35 O ANISOU 1329 O LEU A 98 1219 1880 1214 83 395 -206 O ATOM 1330 CB LEU A 98 21.681 42.210 10.731 1.00 10.96 C ANISOU 1330 CB LEU A 98 1435 1707 1023 -166 125 62 C ATOM 1331 CG LEU A 98 21.244 40.892 11.379 1.00 11.34 C ANISOU 1331 CG LEU A 98 1631 1656 1023 -126 -177 147 C ATOM 1332 CD1 LEU A 98 20.427 40.063 10.391 1.00 13.44 C ANISOU 1332 CD1 LEU A 98 1762 1673 1672 -74 -275 -314 C ATOM 1333 CD2 LEU A 98 22.454 40.104 11.883 1.00 17.92 C ANISOU 1333 CD2 LEU A 98 1933 2557 2319 69 -658 746 C ATOM 0 H LEU A 98 20.471 43.696 12.303 1.00 10.75 H new ATOM 0 HA LEU A 98 23.002 42.799 12.238 1.00 9.64 H new ATOM 0 HB2 LEU A 98 20.914 42.621 10.303 1.00 10.96 H new ATOM 0 HB3 LEU A 98 22.327 42.019 10.033 1.00 10.96 H new ATOM 0 HG LEU A 98 20.685 41.097 12.144 1.00 11.34 H new ATOM 0 HD11 LEU A 98 20.156 39.232 10.812 1.00 13.44 H new ATOM 0 HD12 LEU A 98 19.639 40.562 10.124 1.00 13.44 H new ATOM 0 HD13 LEU A 98 20.966 39.868 9.609 1.00 13.44 H new ATOM 0 HD21 LEU A 98 22.155 39.275 12.289 1.00 17.92 H new ATOM 0 HD22 LEU A 98 23.044 39.905 11.139 1.00 17.92 H new ATOM 0 HD23 LEU A 98 22.932 40.631 12.542 1.00 17.92 H new ATOM 1345 N LEU A 99 22.451 45.546 11.085 1.00 9.44 N ANISOU 1345 N LEU A 99 1057 1613 918 114 126 32 N ATOM 1346 CA LEU A 99 23.062 46.777 10.603 1.00 9.38 C ANISOU 1346 CA LEU A 99 1046 1665 851 -34 46 -46 C ATOM 1347 C LEU A 99 23.093 46.827 9.085 1.00 7.80 C ANISOU 1347 C LEU A 99 872 1288 804 -125 76 177 C ATOM 1348 O LEU A 99 23.923 47.460 8.466 1.00 8.43 O ANISOU 1348 O LEU A 99 710 1637 857 -297 -45 139 O ATOM 1349 CB LEU A 99 24.426 47.078 11.231 1.00 10.22 C ANISOU 1349 CB LEU A 99 1117 1972 794 -58 25 -107 C ATOM 1350 CG LEU A 99 24.381 47.096 12.767 1.00 10.22 C ANISOU 1350 CG LEU A 99 945 2155 782 45 142 204 C ATOM 1351 CD1 LEU A 99 25.773 47.260 13.303 1.00 11.42 C ANISOU 1351 CD1 LEU A 99 1132 2240 967 -48 -117 -217 C ATOM 1352 CD2 LEU A 99 23.433 48.188 13.286 1.00 11.27 C ANISOU 1352 CD2 LEU A 99 1247 1969 1066 74 -104 -410 C ATOM 0 H LEU A 99 21.690 45.683 11.462 1.00 9.44 H new ATOM 0 HA LEU A 99 22.487 47.497 10.905 1.00 9.38 H new ATOM 0 HB2 LEU A 99 25.067 46.412 10.938 1.00 10.22 H new ATOM 0 HB3 LEU A 99 24.743 47.937 10.910 1.00 10.22 H new ATOM 0 HG LEU A 99 24.026 46.251 13.085 1.00 10.22 H new ATOM 0 HD11 LEU A 99 25.747 47.272 14.273 1.00 11.42 H new ATOM 0 HD12 LEU A 99 26.325 46.520 13.003 1.00 11.42 H new ATOM 0 HD13 LEU A 99 26.148 48.094 12.980 1.00 11.42 H new ATOM 0 HD21 LEU A 99 23.425 48.176 14.256 1.00 11.27 H new ATOM 0 HD22 LEU A 99 23.738 49.055 12.977 1.00 11.27 H new ATOM 0 HD23 LEU A 99 22.537 48.023 12.954 1.00 11.27 H new ATOM 1364 N ASP A 100 22.101 46.189 8.448 1.00 8.08 N ANISOU 1364 N ASP A 100 771 1394 907 -265 17 250 N ATOM 1365 CA ASP A 100 21.817 46.433 7.043 1.00 7.62 C ANISOU 1365 CA ASP A 100 701 1303 891 -39 -12 35 C ATOM 1366 C ASP A 100 21.311 47.877 6.926 1.00 7.22 C ANISOU 1366 C ASP A 100 725 1275 744 12 57 18 C ATOM 1367 O ASP A 100 20.574 48.385 7.775 1.00 8.15 O ANISOU 1367 O ASP A 100 619 1661 816 48 93 -77 O ATOM 1368 CB ASP A 100 20.799 45.453 6.493 1.00 9.17 C ANISOU 1368 CB ASP A 100 901 1410 1172 -33 12 303 C ATOM 1369 CG ASP A 100 20.644 45.444 4.994 1.00 9.84 C ANISOU 1369 CG ASP A 100 906 1657 1175 -174 -139 -77 C ATOM 1370 OD1 ASP A 100 21.461 46.100 4.291 1.00 9.94 O ANISOU 1370 OD1 ASP A 100 1067 1516 1193 -85 2 -160 O ATOM 1371 OD2 ASP A 100 19.726 44.731 4.509 1.00 11.96 O ANISOU 1371 OD2 ASP A 100 1029 2217 1300 -274 -195 -268 O ATOM 0 H ASP A 100 21.584 45.611 8.820 1.00 8.08 H new ATOM 0 HA ASP A 100 22.622 46.306 6.516 1.00 7.62 H new ATOM 0 HB2 ASP A 100 21.045 44.560 6.782 1.00 9.17 H new ATOM 0 HB3 ASP A 100 19.936 45.651 6.890 1.00 9.17 H new ATOM 1376 N ASN A 101 21.693 48.541 5.843 1.00 6.55 N ANISOU 1376 N ASN A 101 550 1230 709 -50 22 103 N ATOM 1377 CA ASN A 101 21.239 49.897 5.507 1.00 6.28 C ANISOU 1377 CA ASN A 101 664 1271 452 -97 136 5 C ATOM 1378 C ASN A 101 21.499 50.872 6.645 1.00 6.93 C ANISOU 1378 C ASN A 101 703 1281 647 -158 206 118 C ATOM 1379 O ASN A 101 20.664 51.667 7.059 1.00 7.30 O ANISOU 1379 O ASN A 101 732 1378 665 -97 132 169 O ATOM 1380 CB ASN A 101 19.745 49.871 5.169 1.00 7.37 C ANISOU 1380 CB ASN A 101 732 1288 779 112 -33 233 C ATOM 1381 CG ASN A 101 19.463 48.899 4.051 1.00 7.20 C ANISOU 1381 CG ASN A 101 550 1415 771 68 -40 221 C ATOM 1382 OD1 ASN A 101 20.071 48.996 2.977 1.00 8.58 O ANISOU 1382 OD1 ASN A 101 754 1725 779 -177 15 305 O ATOM 1383 ND2 ASN A 101 18.571 47.963 4.293 1.00 7.67 N ANISOU 1383 ND2 ASN A 101 653 1556 706 -72 -136 246 N ATOM 0 H ASN A 101 22.238 48.212 5.264 1.00 6.55 H new ATOM 0 HA ASN A 101 21.743 50.202 4.737 1.00 6.28 H new ATOM 0 HB2 ASN A 101 19.236 49.621 5.956 1.00 7.37 H new ATOM 0 HB3 ASN A 101 19.452 50.759 4.912 1.00 7.37 H new ATOM 0 HD21 ASN A 101 18.386 47.379 3.689 1.00 7.67 H new ATOM 0 HD22 ASN A 101 18.173 47.935 5.055 1.00 7.67 H new ATOM 1390 N ASP A 102 22.756 50.764 7.172 1.00 7.48 N ANISOU 1390 N ASP A 102 747 1485 610 -137 149 268 N ATOM 1391 CA ASP A 102 23.166 51.538 8.347 1.00 7.26 C ANISOU 1391 CA ASP A 102 737 1269 751 -34 171 315 C ATOM 1392 C ASP A 102 23.578 52.946 7.957 1.00 7.16 C ANISOU 1392 C ASP A 102 510 1362 850 -71 173 192 C ATOM 1393 O ASP A 102 24.777 53.277 7.883 1.00 8.88 O ANISOU 1393 O ASP A 102 625 1483 1265 -245 -5 157 O ATOM 1394 CB ASP A 102 24.245 50.820 9.144 1.00 6.81 C ANISOU 1394 CB ASP A 102 618 1274 695 -129 229 214 C ATOM 1395 CG ASP A 102 24.503 51.419 10.504 1.00 7.93 C ANISOU 1395 CG ASP A 102 644 1620 749 -29 150 317 C ATOM 1396 OD1 ASP A 102 23.719 52.276 10.965 1.00 7.80 O ANISOU 1396 OD1 ASP A 102 757 1421 786 -69 114 316 O ATOM 1397 OD2 ASP A 102 25.492 50.985 11.145 1.00 10.05 O ANISOU 1397 OD2 ASP A 102 756 2048 1015 77 -25 461 O ATOM 0 H ASP A 102 23.367 50.249 6.855 1.00 7.48 H new ATOM 0 HA ASP A 102 22.397 51.617 8.934 1.00 7.26 H new ATOM 0 HB2 ASP A 102 23.989 49.891 9.253 1.00 6.81 H new ATOM 0 HB3 ASP A 102 25.071 50.829 8.635 1.00 6.81 H new ATOM 1402 N ILE A 103 22.594 53.761 7.673 1.00 7.16 N ANISOU 1402 N ILE A 103 687 1358 676 -26 110 190 N ATOM 1403 CA ILE A 103 22.820 55.134 7.213 1.00 7.01 C ANISOU 1403 CA ILE A 103 718 1356 590 -4 127 238 C ATOM 1404 C ILE A 103 21.657 56.001 7.611 1.00 8.53 C ANISOU 1404 C ILE A 103 675 1447 1120 -61 220 393 C ATOM 1405 O ILE A 103 20.484 55.602 7.617 1.00 8.14 O ANISOU 1405 O ILE A 103 667 1638 788 -190 273 200 O ATOM 1406 CB ILE A 103 23.047 55.161 5.685 1.00 7.53 C ANISOU 1406 CB ILE A 103 778 1438 647 -53 107 183 C ATOM 1407 CG1 ILE A 103 23.481 56.547 5.230 1.00 8.49 C ANISOU 1407 CG1 ILE A 103 636 1602 986 -21 189 62 C ATOM 1408 CG2 ILE A 103 21.860 54.650 4.884 1.00 9.36 C ANISOU 1408 CG2 ILE A 103 1151 1785 621 -259 -85 -134 C ATOM 1409 CD1 ILE A 103 23.987 56.599 3.780 1.00 11.06 C ANISOU 1409 CD1 ILE A 103 1553 1894 755 -349 -62 213 C ATOM 0 H ILE A 103 21.764 53.545 7.738 1.00 7.16 H new ATOM 0 HA ILE A 103 23.620 55.486 7.634 1.00 7.01 H new ATOM 0 HB ILE A 103 23.767 54.537 5.502 1.00 7.53 H new ATOM 0 HG12 ILE A 103 22.733 57.157 5.324 1.00 8.49 H new ATOM 0 HG13 ILE A 103 24.182 56.866 5.819 1.00 8.49 H new ATOM 0 HG21 ILE A 103 22.066 54.693 3.937 1.00 9.36 H new ATOM 0 HG22 ILE A 103 21.673 53.731 5.133 1.00 9.36 H new ATOM 0 HG23 ILE A 103 21.083 55.199 5.071 1.00 9.36 H new ATOM 0 HD11 ILE A 103 24.245 57.508 3.559 1.00 11.06 H new ATOM 0 HD12 ILE A 103 24.754 56.013 3.684 1.00 11.06 H new ATOM 0 HD13 ILE A 103 23.282 56.309 3.180 1.00 11.06 H new ATOM 1421 N SER A 104 21.958 57.269 7.949 1.00 7.43 N ANISOU 1421 N SER A 104 588 1386 848 -3 162 333 N ATOM 1422 CA SER A 104 20.951 58.283 8.221 1.00 8.04 C ANISOU 1422 CA SER A 104 763 1336 957 83 254 15 C ATOM 1423 C SER A 104 21.525 59.627 7.746 1.00 7.93 C ANISOU 1423 C SER A 104 709 1326 980 -16 233 125 C ATOM 1424 O SER A 104 22.726 59.852 7.696 1.00 9.15 O ANISOU 1424 O SER A 104 690 1492 1293 -39 314 180 O ATOM 1425 CB SER A 104 20.612 58.296 9.664 1.00 8.26 C ANISOU 1425 CB SER A 104 939 1294 906 106 322 156 C ATOM 1426 OG ASER A 104 21.529 58.811 10.545 0.63 10.80 O ANISOU 1426 OG ASER A 104 1269 1653 1183 -282 160 -163 O ATOM 1427 OG BSER A 104 19.739 59.284 10.140 0.37 8.09 O ANISOU 1427 OG BSER A 104 644 1335 1095 119 211 -60 O ATOM 0 H SER A 104 22.765 57.556 8.024 1.00 7.43 H new ATOM 0 HA SER A 104 20.124 58.099 7.749 1.00 8.04 H new ATOM 0 HB2ASER A 104 19.788 58.796 9.769 0.63 8.26 H new ATOM 0 HB2BSER A 104 20.228 57.433 9.884 0.37 8.26 H new ATOM 0 HB3ASER A 104 20.426 57.383 9.932 0.63 8.26 H new ATOM 0 HB3BSER A 104 21.442 58.372 10.161 0.37 8.26 H new ATOM 0 HG ASER A 104 21.936 58.182 10.926 0.63 8.09 H new ATOM 0 HG BSER A 104 19.248 59.550 9.513 0.37 8.09 H new ATOM 1432 N LEU A 105 20.598 60.526 7.454 1.00 8.29 N ANISOU 1432 N LEU A 105 774 1269 1107 -64 -60 126 N ATOM 1433 CA LEU A 105 20.927 61.914 7.278 1.00 8.42 C ANISOU 1433 CA LEU A 105 718 1263 1220 -53 184 159 C ATOM 1434 C LEU A 105 20.511 62.753 8.478 1.00 9.24 C ANISOU 1434 C LEU A 105 787 1516 1209 -148 223 318 C ATOM 1435 O LEU A 105 19.510 62.398 9.138 1.00 11.47 O ANISOU 1435 O LEU A 105 955 1939 1464 -414 415 389 O ATOM 1436 CB LEU A 105 20.240 62.501 6.045 1.00 9.61 C ANISOU 1436 CB LEU A 105 1247 1292 1110 -277 246 -1 C ATOM 1437 CG LEU A 105 20.476 61.756 4.738 1.00 10.29 C ANISOU 1437 CG LEU A 105 1353 1408 1150 -176 168 -103 C ATOM 1438 CD1 LEU A 105 19.728 62.431 3.606 1.00 12.51 C ANISOU 1438 CD1 LEU A 105 1730 1827 1196 220 125 3 C ATOM 1439 CD2 LEU A 105 21.921 61.605 4.398 1.00 13.22 C ANISOU 1439 CD2 LEU A 105 1394 2278 1351 2 132 -382 C ATOM 0 H LEU A 105 19.764 60.342 7.354 1.00 8.29 H new ATOM 0 HA LEU A 105 21.891 61.945 7.172 1.00 8.42 H new ATOM 0 HB2 LEU A 105 19.285 62.533 6.212 1.00 9.61 H new ATOM 0 HB3 LEU A 105 20.539 63.417 5.934 1.00 9.61 H new ATOM 0 HG LEU A 105 20.131 60.858 4.864 1.00 10.29 H new ATOM 0 HD11 LEU A 105 19.886 61.948 2.780 1.00 12.51 H new ATOM 0 HD12 LEU A 105 18.778 62.434 3.802 1.00 12.51 H new ATOM 0 HD13 LEU A 105 20.040 63.344 3.511 1.00 12.51 H new ATOM 0 HD21 LEU A 105 22.008 61.125 3.560 1.00 13.22 H new ATOM 0 HD22 LEU A 105 22.327 62.482 4.312 1.00 13.22 H new ATOM 0 HD23 LEU A 105 22.369 61.110 5.101 1.00 13.22 H new ATOM 1451 N LEU A 106 21.238 63.834 8.744 1.00 8.78 N ANISOU 1451 N LEU A 106 963 1282 1091 -94 326 115 N ATOM 1452 CA LEU A 106 20.901 64.826 9.751 1.00 9.62 C ANISOU 1452 CA LEU A 106 970 1518 1166 -132 346 318 C ATOM 1453 C LEU A 106 20.651 66.147 9.029 1.00 9.48 C ANISOU 1453 C LEU A 106 954 1385 1263 -294 274 398 C ATOM 1454 O LEU A 106 21.560 66.641 8.318 1.00 11.72 O ANISOU 1454 O LEU A 106 999 1849 1606 -232 333 116 O ATOM 1455 CB LEU A 106 22.035 64.999 10.761 1.00 10.05 C ANISOU 1455 CB LEU A 106 1031 1587 1201 -245 344 -280 C ATOM 1456 CG LEU A 106 22.598 63.749 11.407 1.00 10.41 C ANISOU 1456 CG LEU A 106 1025 1644 1286 -157 223 -335 C ATOM 1457 CD1 LEU A 106 23.810 64.042 12.292 1.00 10.83 C ANISOU 1457 CD1 LEU A 106 1152 1877 1087 -295 248 -367 C ATOM 1458 CD2 LEU A 106 21.536 63.021 12.220 1.00 10.80 C ANISOU 1458 CD2 LEU A 106 1135 1470 1498 -196 160 -147 C ATOM 0 H LEU A 106 21.968 64.014 8.326 1.00 8.78 H new ATOM 0 HA LEU A 106 20.115 64.539 10.241 1.00 9.62 H new ATOM 0 HB2 LEU A 106 22.764 65.459 10.316 1.00 10.05 H new ATOM 0 HB3 LEU A 106 21.719 65.584 11.467 1.00 10.05 H new ATOM 0 HG LEU A 106 22.891 63.178 10.679 1.00 10.41 H new ATOM 0 HD11 LEU A 106 24.134 63.215 12.682 1.00 10.83 H new ATOM 0 HD12 LEU A 106 24.512 64.443 11.757 1.00 10.83 H new ATOM 0 HD13 LEU A 106 23.554 64.654 13.000 1.00 10.83 H new ATOM 0 HD21 LEU A 106 21.923 62.227 12.621 1.00 10.80 H new ATOM 0 HD22 LEU A 106 21.205 63.607 12.918 1.00 10.80 H new ATOM 0 HD23 LEU A 106 20.803 62.765 11.639 1.00 10.80 H new ATOM 1470 N LYS A 107 19.449 66.673 9.124 1.00 11.29 N ANISOU 1470 N LYS A 107 1076 1612 1600 -22 353 -287 N ATOM 1471 CA LYS A 107 19.176 68.024 8.636 1.00 11.54 C ANISOU 1471 CA LYS A 107 1183 1681 1521 -76 485 -171 C ATOM 1472 C LYS A 107 19.513 69.018 9.739 1.00 10.73 C ANISOU 1472 C LYS A 107 1105 1481 1492 171 494 -115 C ATOM 1473 O LYS A 107 19.081 68.825 10.892 1.00 13.72 O ANISOU 1473 O LYS A 107 1859 1834 1521 -140 650 -259 O ATOM 1474 CB LYS A 107 17.710 68.194 8.235 1.00 13.55 C ANISOU 1474 CB LYS A 107 1328 2028 1793 228 280 -301 C ATOM 1475 CG LYS A 107 17.372 69.518 7.512 1.00 18.44 C ANISOU 1475 CG LYS A 107 2329 2106 2571 256 -340 -140 C ATOM 1476 CD LYS A 107 15.913 69.394 7.086 1.00 22.07 C ANISOU 1476 CD LYS A 107 2479 3064 2842 616 -731 -218 C ATOM 1477 CE LYS A 107 15.100 70.620 6.912 1.00 24.64 C ANISOU 1477 CE LYS A 107 2720 3341 3302 840 -130 359 C ATOM 1478 NZ LYS A 107 15.647 71.467 5.829 1.00 28.44 N ANISOU 1478 NZ LYS A 107 3640 3283 3881 203 161 425 N ATOM 0 H LYS A 107 18.770 66.271 9.467 1.00 11.29 H new ATOM 0 HA LYS A 107 19.720 68.182 7.849 1.00 11.54 H new ATOM 0 HB2 LYS A 107 17.460 67.455 7.659 1.00 13.55 H new ATOM 0 HB3 LYS A 107 17.162 68.129 9.033 1.00 13.55 H new ATOM 0 HG2 LYS A 107 17.500 70.279 8.100 1.00 18.44 H new ATOM 0 HG3 LYS A 107 17.949 69.653 6.744 1.00 18.44 H new ATOM 0 HD2 LYS A 107 15.895 68.911 6.245 1.00 22.07 H new ATOM 0 HD3 LYS A 107 15.464 68.838 7.742 1.00 22.07 H new ATOM 0 HE2 LYS A 107 14.183 70.378 6.707 1.00 24.64 H new ATOM 0 HE3 LYS A 107 15.082 71.121 7.742 1.00 24.64 H new ATOM 0 HZ1 LYS A 107 15.145 72.197 5.741 1.00 28.44 H new ATOM 0 HZ2 LYS A 107 16.481 71.703 6.029 1.00 28.44 H new ATOM 0 HZ3 LYS A 107 15.644 71.011 5.065 1.00 28.44 H new ATOM 1492 N LEU A 108 20.236 70.056 9.455 1.00 11.56 N ANISOU 1492 N LEU A 108 1365 1531 1495 65 368 -158 N ATOM 1493 CA LEU A 108 20.677 71.022 10.435 1.00 12.09 C ANISOU 1493 CA LEU A 108 1510 1626 1457 44 350 -207 C ATOM 1494 C LEU A 108 19.709 72.181 10.506 1.00 13.72 C ANISOU 1494 C LEU A 108 1734 1618 1862 145 228 -326 C ATOM 1495 O LEU A 108 19.087 72.573 9.515 1.00 15.15 O ANISOU 1495 O LEU A 108 2166 1619 1971 467 25 -542 O ATOM 1496 CB LEU A 108 22.061 71.523 10.050 1.00 13.77 C ANISOU 1496 CB LEU A 108 1573 1794 1865 -108 258 -393 C ATOM 1497 CG LEU A 108 23.101 70.406 9.795 1.00 14.44 C ANISOU 1497 CG LEU A 108 1425 2171 1891 112 332 -97 C ATOM 1498 CD1 LEU A 108 24.441 71.044 9.483 1.00 18.50 C ANISOU 1498 CD1 LEU A 108 1641 2551 2837 -168 562 -44 C ATOM 1499 CD2 LEU A 108 23.117 69.425 10.951 1.00 16.20 C ANISOU 1499 CD2 LEU A 108 1455 2450 2250 15 57 191 C ATOM 0 H LEU A 108 20.501 70.235 8.657 1.00 11.56 H new ATOM 0 HA LEU A 108 20.712 70.600 11.308 1.00 12.09 H new ATOM 0 HB2 LEU A 108 21.985 72.067 9.250 1.00 13.77 H new ATOM 0 HB3 LEU A 108 22.391 72.101 10.756 1.00 13.77 H new ATOM 0 HG LEU A 108 22.863 69.874 9.020 1.00 14.44 H new ATOM 0 HD11 LEU A 108 25.100 70.351 9.322 1.00 18.50 H new ATOM 0 HD12 LEU A 108 24.358 71.601 8.693 1.00 18.50 H new ATOM 0 HD13 LEU A 108 24.723 71.589 10.234 1.00 18.50 H new ATOM 0 HD21 LEU A 108 23.772 68.731 10.778 1.00 16.20 H new ATOM 0 HD22 LEU A 108 23.349 69.892 11.769 1.00 16.20 H new ATOM 0 HD23 LEU A 108 22.239 69.023 11.047 1.00 16.20 H new ATOM 1511 N SER A 109 19.618 72.766 11.699 1.00 14.56 N ANISOU 1511 N SER A 109 1755 1860 1917 429 169 -411 N ATOM 1512 CA SER A 109 18.682 73.880 11.895 1.00 15.88 C ANISOU 1512 CA SER A 109 1953 1747 2335 396 590 -292 C ATOM 1513 C SER A 109 19.121 75.149 11.201 1.00 16.69 C ANISOU 1513 C SER A 109 1984 1942 2414 347 491 -128 C ATOM 1514 O SER A 109 18.273 76.041 11.007 1.00 18.54 O ANISOU 1514 O SER A 109 2114 1979 2952 331 382 135 O ATOM 1515 CB SER A 109 18.495 74.129 13.397 1.00 16.25 C ANISOU 1515 CB SER A 109 1721 2150 2303 485 636 -311 C ATOM 1516 OG SER A 109 19.719 74.558 13.918 1.00 20.23 O ANISOU 1516 OG SER A 109 2230 2857 2598 19 268 -218 O ATOM 0 H SER A 109 20.075 72.543 12.393 1.00 14.56 H new ATOM 0 HA SER A 109 17.838 73.625 11.490 1.00 15.88 H new ATOM 0 HB2 SER A 109 17.809 74.798 13.547 1.00 16.25 H new ATOM 0 HB3 SER A 109 18.202 73.318 13.842 1.00 16.25 H new ATOM 0 HG SER A 109 19.848 74.196 14.665 1.00 20.23 H new ATOM 1521 N GLY A 110 20.394 75.250 10.867 1.00 16.37 N ANISOU 1521 N GLY A 110 1885 1932 2401 43 150 -127 N ATOM 1522 CA GLY A 110 20.835 76.330 10.001 1.00 17.31 C ANISOU 1522 CA GLY A 110 2117 1984 2476 158 402 -84 C ATOM 1523 C GLY A 110 21.974 75.839 9.129 1.00 16.65 C ANISOU 1523 C GLY A 110 2020 1933 2374 90 273 -298 C ATOM 1524 O GLY A 110 22.417 74.713 9.322 1.00 18.89 O ANISOU 1524 O GLY A 110 2051 2169 2956 306 461 78 O ATOM 0 H GLY A 110 21.013 74.712 11.126 1.00 16.37 H new ATOM 0 HA2 GLY A 110 20.099 76.636 9.448 1.00 17.31 H new ATOM 0 HA3 GLY A 110 21.124 77.088 10.533 1.00 17.31 H new ATOM 1528 N SER A 111 22.382 76.663 8.176 1.00 17.06 N ANISOU 1528 N SER A 111 2149 1734 2600 -5 455 -389 N ATOM 1529 CA SER A 111 23.396 76.237 7.232 1.00 16.95 C ANISOU 1529 CA SER A 111 2033 1869 2538 174 376 -92 C ATOM 1530 C SER A 111 24.793 76.410 7.785 1.00 16.73 C ANISOU 1530 C SER A 111 2110 1741 2505 14 301 -31 C ATOM 1531 O SER A 111 25.058 77.405 8.459 1.00 19.86 O ANISOU 1531 O SER A 111 2755 2100 2692 -34 94 -280 O ATOM 1532 CB SER A 111 23.217 77.091 5.981 1.00 18.39 C ANISOU 1532 CB SER A 111 2169 2228 2590 -162 173 113 C ATOM 1533 OG SER A 111 21.954 76.944 5.377 1.00 20.53 O ANISOU 1533 OG SER A 111 2195 2420 3184 -52 -57 221 O ATOM 0 H SER A 111 22.088 77.463 8.060 1.00 17.06 H new ATOM 0 HA SER A 111 23.292 75.292 7.040 1.00 16.95 H new ATOM 0 HB2 SER A 111 23.350 78.023 6.213 1.00 18.39 H new ATOM 0 HB3 SER A 111 23.904 76.858 5.338 1.00 18.39 H new ATOM 0 HG SER A 111 21.747 76.130 5.354 1.00 20.53 H new ATOM 1538 N LEU A 112 25.694 75.500 7.471 1.00 16.39 N ANISOU 1538 N LEU A 112 1812 2071 2346 -35 364 -40 N ATOM 1539 CA LEU A 112 27.121 75.612 7.719 1.00 15.61 C ANISOU 1539 CA LEU A 112 1936 1927 2067 -209 136 -315 C ATOM 1540 C LEU A 112 27.622 76.740 6.813 1.00 15.86 C ANISOU 1540 C LEU A 112 1779 1897 2351 47 251 -112 C ATOM 1541 O LEU A 112 27.107 76.955 5.721 1.00 17.55 O ANISOU 1541 O LEU A 112 2338 2048 2282 138 223 -120 O ATOM 1542 CB LEU A 112 27.791 74.317 7.342 1.00 14.61 C ANISOU 1542 CB LEU A 112 1672 1903 1974 -136 5 -86 C ATOM 1543 CG LEU A 112 27.537 73.126 8.298 1.00 14.80 C ANISOU 1543 CG LEU A 112 1760 1989 1876 -175 355 -176 C ATOM 1544 CD1 LEU A 112 27.720 71.808 7.576 1.00 18.62 C ANISOU 1544 CD1 LEU A 112 2346 1860 2870 17 1034 -181 C ATOM 1545 CD2 LEU A 112 28.461 73.272 9.494 1.00 16.83 C ANISOU 1545 CD2 LEU A 112 1436 2451 2507 -560 -35 711 C ATOM 0 H LEU A 112 25.481 74.760 7.087 1.00 16.39 H new ATOM 0 HA LEU A 112 27.315 75.796 8.651 1.00 15.61 H new ATOM 0 HB2 LEU A 112 27.495 74.066 6.453 1.00 14.61 H new ATOM 0 HB3 LEU A 112 28.747 74.470 7.290 1.00 14.61 H new ATOM 0 HG LEU A 112 26.620 73.131 8.613 1.00 14.80 H new ATOM 0 HD11 LEU A 112 27.557 71.076 8.191 1.00 18.62 H new ATOM 0 HD12 LEU A 112 27.094 71.754 6.837 1.00 18.62 H new ATOM 0 HD13 LEU A 112 28.627 71.748 7.236 1.00 18.62 H new ATOM 0 HD21 LEU A 112 28.317 72.534 10.106 1.00 16.83 H new ATOM 0 HD22 LEU A 112 29.383 73.267 9.193 1.00 16.83 H new ATOM 0 HD23 LEU A 112 28.274 74.109 9.947 1.00 16.83 H new ATOM 1557 N THR A 113 28.668 77.363 7.317 1.00 17.43 N ANISOU 1557 N THR A 113 2142 1992 2488 -302 346 -231 N ATOM 1558 CA THR A 113 29.448 78.329 6.574 1.00 18.27 C ANISOU 1558 CA THR A 113 2332 2115 2496 -315 298 17 C ATOM 1559 C THR A 113 30.702 77.653 6.054 1.00 17.02 C ANISOU 1559 C THR A 113 2094 2134 2240 -358 121 132 C ATOM 1560 O THR A 113 31.524 77.241 6.875 1.00 19.71 O ANISOU 1560 O THR A 113 2625 2888 1977 65 17 -69 O ATOM 1561 CB THR A 113 29.894 79.517 7.446 1.00 20.22 C ANISOU 1561 CB THR A 113 2615 2042 3025 -449 346 -122 C ATOM 1562 OG1 THR A 113 28.732 80.257 7.816 1.00 25.38 O ANISOU 1562 OG1 THR A 113 3362 2601 3681 -102 994 -398 O ATOM 1563 CG2 THR A 113 30.766 80.439 6.616 1.00 22.20 C ANISOU 1563 CG2 THR A 113 2893 2203 3338 -529 380 41 C ATOM 0 H THR A 113 28.951 77.234 8.119 1.00 17.43 H new ATOM 0 HA THR A 113 28.886 78.662 5.857 1.00 18.27 H new ATOM 0 HB THR A 113 30.376 79.194 8.223 1.00 20.22 H new ATOM 0 HG1 THR A 113 28.956 80.910 8.295 1.00 25.38 H new ATOM 0 HG21 THR A 113 31.051 81.191 7.159 1.00 22.20 H new ATOM 0 HG22 THR A 113 31.545 79.953 6.303 1.00 22.20 H new ATOM 0 HG23 THR A 113 30.261 80.764 5.855 1.00 22.20 H new ATOM 1570 N PHE A 114 30.884 77.522 4.745 1.00 15.32 N ANISOU 1570 N PHE A 114 1794 1855 2171 -218 -41 255 N ATOM 1571 CA PHE A 114 32.075 76.804 4.245 1.00 15.97 C ANISOU 1571 CA PHE A 114 1675 2007 2387 -226 70 329 C ATOM 1572 C PHE A 114 33.305 77.719 4.191 1.00 16.98 C ANISOU 1572 C PHE A 114 1846 1979 2625 -303 9 433 C ATOM 1573 O PHE A 114 33.274 78.897 3.895 1.00 19.37 O ANISOU 1573 O PHE A 114 2420 1777 3164 -254 117 175 O ATOM 1574 CB PHE A 114 31.876 76.180 2.871 1.00 16.91 C ANISOU 1574 CB PHE A 114 2002 1912 2510 -188 210 147 C ATOM 1575 CG PHE A 114 30.786 75.104 2.876 1.00 16.69 C ANISOU 1575 CG PHE A 114 1952 1978 2409 -139 105 162 C ATOM 1576 CD1 PHE A 114 30.515 74.296 3.966 1.00 16.37 C ANISOU 1576 CD1 PHE A 114 2024 1963 2234 -293 407 -105 C ATOM 1577 CD2 PHE A 114 30.051 74.919 1.713 1.00 18.02 C ANISOU 1577 CD2 PHE A 114 2284 2188 2377 -213 85 -59 C ATOM 1578 CE1 PHE A 114 29.518 73.349 3.946 1.00 16.52 C ANISOU 1578 CE1 PHE A 114 1871 1930 2474 -210 305 -151 C ATOM 1579 CE2 PHE A 114 29.027 73.998 1.664 1.00 18.89 C ANISOU 1579 CE2 PHE A 114 2316 2144 2715 -197 -115 36 C ATOM 1580 CZ PHE A 114 28.807 73.231 2.781 1.00 18.13 C ANISOU 1580 CZ PHE A 114 2159 2274 2457 -295 273 -244 C ATOM 0 H PHE A 114 30.355 77.827 4.139 1.00 15.32 H new ATOM 0 HA PHE A 114 32.219 76.088 4.883 1.00 15.97 H new ATOM 0 HB2 PHE A 114 31.641 76.873 2.234 1.00 16.91 H new ATOM 0 HB3 PHE A 114 32.712 75.790 2.571 1.00 16.91 H new ATOM 0 HD1 PHE A 114 31.024 74.397 4.738 1.00 16.37 H new ATOM 0 HD2 PHE A 114 30.252 75.423 0.958 1.00 18.02 H new ATOM 0 HE1 PHE A 114 29.336 72.816 4.686 1.00 16.52 H new ATOM 0 HE2 PHE A 114 28.504 73.900 0.901 1.00 18.89 H new ATOM 0 HZ PHE A 114 28.133 72.591 2.745 1.00 18.13 H new ATOM 1590 N ASN A 115 34.445 77.106 4.491 1.00 15.72 N ANISOU 1590 N ASN A 115 1705 2078 2188 -326 -75 33 N ATOM 1591 CA ASN A 115 35.710 77.863 4.537 1.00 15.55 C ANISOU 1591 CA ASN A 115 1807 1822 2278 -345 297 -164 C ATOM 1592 C ASN A 115 36.811 76.831 4.473 1.00 14.61 C ANISOU 1592 C ASN A 115 1709 1743 2098 -403 251 -126 C ATOM 1593 O ASN A 115 36.524 75.670 4.149 1.00 15.45 O ANISOU 1593 O ASN A 115 1874 1873 2124 -437 676 -469 O ATOM 1594 CB ASN A 115 35.798 78.733 5.775 1.00 16.58 C ANISOU 1594 CB ASN A 115 2160 1548 2591 -395 257 -250 C ATOM 1595 CG ASN A 115 35.696 78.028 7.089 1.00 16.67 C ANISOU 1595 CG ASN A 115 2250 1775 2310 -260 366 -497 C ATOM 1596 OD1 ASN A 115 36.311 77.005 7.375 1.00 17.18 O ANISOU 1596 OD1 ASN A 115 2347 1852 2330 -254 898 -19 O ATOM 1597 ND2 ASN A 115 34.854 78.563 7.988 1.00 18.84 N ANISOU 1597 ND2 ASN A 115 2181 2002 2975 -352 744 -552 N ATOM 0 H ASN A 115 34.516 76.268 4.669 1.00 15.72 H new ATOM 0 HA ASN A 115 35.781 78.484 3.795 1.00 15.55 H new ATOM 0 HB2 ASN A 115 36.641 79.212 5.751 1.00 16.58 H new ATOM 0 HB3 ASN A 115 35.093 79.398 5.731 1.00 16.58 H new ATOM 0 HD21 ASN A 115 34.750 78.189 8.755 1.00 18.84 H new ATOM 0 HD22 ASN A 115 34.419 79.280 7.796 1.00 18.84 H new ATOM 1604 N ASP A 116 38.051 77.196 4.775 1.00 15.82 N ANISOU 1604 N ASP A 116 1786 2137 2087 -442 304 -293 N ATOM 1605 CA ASP A 116 39.116 76.226 4.546 1.00 17.52 C ANISOU 1605 CA ASP A 116 1810 2578 2268 -83 251 -112 C ATOM 1606 C ASP A 116 39.009 75.014 5.469 1.00 16.65 C ANISOU 1606 C ASP A 116 1874 2451 2000 -168 63 -280 C ATOM 1607 O ASP A 116 39.505 73.909 5.205 1.00 18.50 O ANISOU 1607 O ASP A 116 2091 2245 2693 -525 875 -256 O ATOM 1608 CB ASP A 116 40.513 76.839 4.702 1.00 20.44 C ANISOU 1608 CB ASP A 116 1927 2945 2894 -325 583 -209 C ATOM 1609 CG ASP A 116 40.802 77.876 3.642 1.00 23.54 C ANISOU 1609 CG ASP A 116 2313 3344 3285 -579 394 223 C ATOM 1610 OD1 ASP A 116 40.080 78.004 2.619 1.00 25.47 O ANISOU 1610 OD1 ASP A 116 2716 3518 3442 -791 115 357 O ATOM 1611 OD2 ASP A 116 41.821 78.566 3.893 1.00 27.02 O ANISOU 1611 OD2 ASP A 116 2974 3399 3894 -969 -177 482 O ATOM 0 H ASP A 116 38.290 77.957 5.096 1.00 15.82 H new ATOM 0 HA ASP A 116 38.998 75.937 3.627 1.00 17.52 H new ATOM 0 HB2 ASP A 116 40.590 77.245 5.579 1.00 20.44 H new ATOM 0 HB3 ASP A 116 41.180 76.136 4.655 1.00 20.44 H new ATOM 1616 N ASN A 117 38.340 75.226 6.582 1.00 15.06 N ANISOU 1616 N ASN A 117 1452 2062 2210 -210 105 -173 N ATOM 1617 CA ASN A 117 38.273 74.219 7.612 1.00 14.49 C ANISOU 1617 CA ASN A 117 1606 1835 2065 -135 153 -363 C ATOM 1618 C ASN A 117 36.944 73.447 7.709 1.00 13.16 C ANISOU 1618 C ASN A 117 1537 1519 1945 -57 272 -500 C ATOM 1619 O ASN A 117 36.813 72.551 8.548 1.00 13.90 O ANISOU 1619 O ASN A 117 1795 1810 1676 -147 222 -471 O ATOM 1620 CB ASN A 117 38.555 74.872 8.969 1.00 15.23 C ANISOU 1620 CB ASN A 117 1882 1800 2104 -333 213 -435 C ATOM 1621 CG ASN A 117 39.975 75.377 9.014 1.00 16.05 C ANISOU 1621 CG ASN A 117 2031 2226 1843 -587 111 -178 C ATOM 1622 OD1 ASN A 117 40.842 74.865 8.315 1.00 18.45 O ANISOU 1622 OD1 ASN A 117 1773 2516 2722 -473 84 -435 O ATOM 1623 ND2 ASN A 117 40.184 76.382 9.826 1.00 20.03 N ANISOU 1623 ND2 ASN A 117 2490 2355 2764 -1051 508 -572 N ATOM 0 H ASN A 117 37.915 75.952 6.761 1.00 15.06 H new ATOM 0 HA ASN A 117 38.941 73.561 7.364 1.00 14.49 H new ATOM 0 HB2 ASN A 117 37.938 75.606 9.118 1.00 15.23 H new ATOM 0 HB3 ASN A 117 38.409 74.230 9.682 1.00 15.23 H new ATOM 0 HD21 ASN A 117 40.970 76.724 9.893 1.00 20.03 H new ATOM 0 HD22 ASN A 117 39.535 76.700 10.292 1.00 20.03 H new ATOM 1630 N VAL A 118 36.002 73.847 6.884 1.00 13.27 N ANISOU 1630 N VAL A 118 1580 1651 1809 -341 382 -251 N ATOM 1631 CA VAL A 118 34.615 73.387 6.889 1.00 13.54 C ANISOU 1631 CA VAL A 118 1536 1796 1814 -237 229 -259 C ATOM 1632 C VAL A 118 34.151 73.272 5.441 1.00 12.57 C ANISOU 1632 C VAL A 118 1601 1448 1727 -24 300 -242 C ATOM 1633 O VAL A 118 33.950 74.277 4.775 1.00 14.41 O ANISOU 1633 O VAL A 118 1948 1499 2028 -468 180 19 O ATOM 1634 CB VAL A 118 33.683 74.314 7.692 1.00 14.15 C ANISOU 1634 CB VAL A 118 1608 1776 1994 -497 413 -544 C ATOM 1635 CG1 VAL A 118 32.242 73.790 7.607 1.00 14.92 C ANISOU 1635 CG1 VAL A 118 1644 2185 1840 -666 629 -201 C ATOM 1636 CG2 VAL A 118 34.128 74.443 9.163 1.00 15.10 C ANISOU 1636 CG2 VAL A 118 1756 2048 1932 -523 534 -387 C ATOM 0 H VAL A 118 36.154 74.427 6.268 1.00 13.27 H new ATOM 0 HA VAL A 118 34.574 72.525 7.332 1.00 13.54 H new ATOM 0 HB VAL A 118 33.729 75.201 7.303 1.00 14.15 H new ATOM 0 HG11 VAL A 118 31.655 74.374 8.113 1.00 14.92 H new ATOM 0 HG12 VAL A 118 31.958 73.771 6.680 1.00 14.92 H new ATOM 0 HG13 VAL A 118 32.201 72.893 7.975 1.00 14.92 H new ATOM 0 HG21 VAL A 118 33.519 75.032 9.635 1.00 15.10 H new ATOM 0 HG22 VAL A 118 34.120 73.568 9.582 1.00 15.10 H new ATOM 0 HG23 VAL A 118 35.025 74.810 9.199 1.00 15.10 H new ATOM 1646 N ALA A 119 33.907 72.065 4.939 1.00 12.46 N ANISOU 1646 N ALA A 119 1482 1476 1776 -234 390 -191 N ATOM 1647 CA ALA A 119 33.584 71.802 3.563 1.00 12.05 C ANISOU 1647 CA ALA A 119 1469 1451 1659 -222 564 -242 C ATOM 1648 C ALA A 119 32.962 70.430 3.347 1.00 11.50 C ANISOU 1648 C ALA A 119 1269 1546 1554 -321 395 -15 C ATOM 1649 O ALA A 119 33.276 69.527 4.141 1.00 11.77 O ANISOU 1649 O ALA A 119 1457 1488 1528 -259 282 -59 O ATOM 1650 CB ALA A 119 34.864 71.891 2.694 1.00 13.99 C ANISOU 1650 CB ALA A 119 1501 1889 1927 -485 638 -49 C ATOM 0 H ALA A 119 33.929 71.353 5.421 1.00 12.46 H new ATOM 0 HA ALA A 119 32.933 72.473 3.305 1.00 12.05 H new ATOM 0 HB1 ALA A 119 34.639 71.713 1.767 1.00 13.99 H new ATOM 0 HB2 ALA A 119 35.245 72.780 2.769 1.00 13.99 H new ATOM 0 HB3 ALA A 119 35.510 71.236 3.001 1.00 13.99 H new ATOM 1656 N PRO A 120 32.125 70.285 2.331 1.00 11.60 N ANISOU 1656 N PRO A 120 1560 1347 1499 -36 306 -150 N ATOM 1657 CA PRO A 120 31.566 68.942 2.052 1.00 11.14 C ANISOU 1657 CA PRO A 120 1425 1496 1311 -108 319 -215 C ATOM 1658 C PRO A 120 32.632 67.964 1.555 1.00 10.76 C ANISOU 1658 C PRO A 120 1332 1448 1308 -372 431 -407 C ATOM 1659 O PRO A 120 33.663 68.335 0.999 1.00 13.63 O ANISOU 1659 O PRO A 120 1517 1908 1752 -381 772 -258 O ATOM 1660 CB PRO A 120 30.568 69.160 0.943 1.00 13.71 C ANISOU 1660 CB PRO A 120 1913 1832 1464 -177 5 146 C ATOM 1661 CG PRO A 120 30.480 70.603 0.701 1.00 17.49 C ANISOU 1661 CG PRO A 120 2524 1833 2289 -240 -584 122 C ATOM 1662 CD PRO A 120 31.642 71.260 1.343 1.00 14.35 C ANISOU 1662 CD PRO A 120 1595 1794 2063 -259 147 365 C ATOM 0 HA PRO A 120 31.185 68.561 2.858 1.00 11.14 H new ATOM 0 HB2 PRO A 120 30.847 68.696 0.138 1.00 13.71 H new ATOM 0 HB3 PRO A 120 29.701 68.803 1.190 1.00 13.71 H new ATOM 0 HG2 PRO A 120 30.474 70.785 -0.252 1.00 17.49 H new ATOM 0 HG3 PRO A 120 29.652 70.955 1.062 1.00 17.49 H new ATOM 0 HD2 PRO A 120 32.330 71.473 0.693 1.00 14.35 H new ATOM 0 HD3 PRO A 120 31.385 72.094 1.767 1.00 14.35 H new ATOM 1670 N ILE A 121 32.351 66.691 1.746 1.00 10.68 N ANISOU 1670 N ILE A 121 1324 1424 1311 -154 393 -181 N ATOM 1671 CA ILE A 121 33.024 65.575 1.062 1.00 10.54 C ANISOU 1671 CA ILE A 121 1297 1489 1219 -87 258 -270 C ATOM 1672 C ILE A 121 32.127 65.079 -0.075 1.00 9.74 C ANISOU 1672 C ILE A 121 1287 1295 1118 -185 320 -2 C ATOM 1673 O ILE A 121 30.939 64.870 0.132 1.00 11.75 O ANISOU 1673 O ILE A 121 1264 1845 1355 -288 333 -63 O ATOM 1674 CB ILE A 121 33.432 64.462 2.028 1.00 9.91 C ANISOU 1674 CB ILE A 121 1119 1527 1118 -187 197 -285 C ATOM 1675 CG1 ILE A 121 34.266 63.390 1.293 1.00 10.08 C ANISOU 1675 CG1 ILE A 121 1026 1572 1231 -121 25 -342 C ATOM 1676 CG2 ILE A 121 32.273 63.783 2.772 1.00 12.14 C ANISOU 1676 CG2 ILE A 121 1527 1537 1547 -198 567 -259 C ATOM 1677 CD1 ILE A 121 35.001 62.456 2.240 1.00 9.77 C ANISOU 1677 CD1 ILE A 121 1057 1496 1160 -221 249 -211 C ATOM 0 H ILE A 121 31.743 66.431 2.295 1.00 10.68 H new ATOM 0 HA ILE A 121 33.859 65.891 0.682 1.00 10.54 H new ATOM 0 HB ILE A 121 33.959 64.909 2.709 1.00 9.91 H new ATOM 0 HG12 ILE A 121 33.681 62.868 0.722 1.00 10.08 H new ATOM 0 HG13 ILE A 121 34.910 63.829 0.715 1.00 10.08 H new ATOM 0 HG21 ILE A 121 32.624 63.095 3.359 1.00 12.14 H new ATOM 0 HG22 ILE A 121 31.795 64.443 3.298 1.00 12.14 H new ATOM 0 HG23 ILE A 121 31.667 63.382 2.130 1.00 12.14 H new ATOM 0 HD11 ILE A 121 35.506 61.806 1.727 1.00 9.77 H new ATOM 0 HD12 ILE A 121 35.607 62.970 2.796 1.00 9.77 H new ATOM 0 HD13 ILE A 121 34.359 61.995 2.803 1.00 9.77 H new ATOM 1689 N ALA A 122 32.711 64.901 -1.252 1.00 10.37 N ANISOU 1689 N ALA A 122 1222 1608 1111 11 254 -139 N ATOM 1690 CA ALA A 122 31.988 64.390 -2.408 1.00 11.11 C ANISOU 1690 CA ALA A 122 1335 1723 1162 -78 141 -39 C ATOM 1691 C ALA A 122 31.539 62.948 -2.208 1.00 10.47 C ANISOU 1691 C ALA A 122 1195 1627 1155 18 89 -110 C ATOM 1692 O ALA A 122 32.228 62.163 -1.569 1.00 11.03 O ANISOU 1692 O ALA A 122 1088 1697 1408 -36 -59 -36 O ATOM 1693 CB ALA A 122 32.876 64.452 -3.641 1.00 12.40 C ANISOU 1693 CB ALA A 122 1525 2130 1056 -302 139 -83 C ATOM 0 H ALA A 122 33.540 65.073 -1.404 1.00 10.37 H new ATOM 0 HA ALA A 122 31.201 64.946 -2.523 1.00 11.11 H new ATOM 0 HB1 ALA A 122 32.390 64.111 -4.408 1.00 12.40 H new ATOM 0 HB2 ALA A 122 33.136 65.372 -3.807 1.00 12.40 H new ATOM 0 HB3 ALA A 122 33.670 63.913 -3.496 1.00 12.40 H new ATOM 1699 N LEU A 123 30.384 62.610 -2.772 1.00 10.33 N ANISOU 1699 N LEU A 123 1126 1645 1155 14 51 179 N ATOM 1700 CA LEU A 123 29.976 61.221 -2.902 1.00 10.98 C ANISOU 1700 CA LEU A 123 1200 1706 1265 6 73 -161 C ATOM 1701 C LEU A 123 30.666 60.568 -4.084 1.00 11.17 C ANISOU 1701 C LEU A 123 1234 1836 1174 -122 95 -99 C ATOM 1702 O LEU A 123 30.967 61.236 -5.070 1.00 13.72 O ANISOU 1702 O LEU A 123 1378 2328 1508 -501 399 23 O ATOM 1703 CB LEU A 123 28.454 61.137 -3.085 1.00 10.93 C ANISOU 1703 CB LEU A 123 1268 1746 1141 -49 60 -179 C ATOM 1704 CG LEU A 123 27.635 61.649 -1.918 1.00 11.20 C ANISOU 1704 CG LEU A 123 1303 1443 1510 203 322 153 C ATOM 1705 CD1 LEU A 123 26.147 61.413 -2.242 1.00 13.82 C ANISOU 1705 CD1 LEU A 123 1335 1864 2054 140 179 -204 C ATOM 1706 CD2 LEU A 123 28.020 60.988 -0.611 1.00 12.91 C ANISOU 1706 CD2 LEU A 123 1834 1863 1210 162 327 37 C ATOM 0 H LEU A 123 29.820 63.177 -3.088 1.00 10.33 H new ATOM 0 HA LEU A 123 30.232 60.751 -2.093 1.00 10.98 H new ATOM 0 HB2 LEU A 123 28.210 61.639 -3.878 1.00 10.93 H new ATOM 0 HB3 LEU A 123 28.213 60.212 -3.250 1.00 10.93 H new ATOM 0 HG LEU A 123 27.809 62.596 -1.798 1.00 11.20 H new ATOM 0 HD11 LEU A 123 25.601 61.734 -1.507 1.00 13.82 H new ATOM 0 HD12 LEU A 123 25.912 61.892 -3.052 1.00 13.82 H new ATOM 0 HD13 LEU A 123 25.990 60.464 -2.371 1.00 13.82 H new ATOM 0 HD21 LEU A 123 27.472 61.345 0.106 1.00 12.91 H new ATOM 0 HD22 LEU A 123 27.880 60.031 -0.679 1.00 12.91 H new ATOM 0 HD23 LEU A 123 28.955 61.165 -0.422 1.00 12.91 H new ATOM 1718 N PRO A 124 30.791 59.252 -4.075 1.00 11.27 N ANISOU 1718 N PRO A 124 1077 1812 1392 -125 55 -326 N ATOM 1719 CA PRO A 124 31.160 58.539 -5.297 1.00 12.19 C ANISOU 1719 CA PRO A 124 1030 2054 1546 -159 117 -460 C ATOM 1720 C PRO A 124 29.925 58.528 -6.188 1.00 11.65 C ANISOU 1720 C PRO A 124 1192 1871 1363 1 108 -218 C ATOM 1721 O PRO A 124 28.816 58.819 -5.786 1.00 10.92 O ANISOU 1721 O PRO A 124 1082 2005 1063 -48 105 104 O ATOM 1722 CB PRO A 124 31.408 57.114 -4.794 1.00 14.04 C ANISOU 1722 CB PRO A 124 1372 2117 1846 290 -305 -543 C ATOM 1723 CG PRO A 124 30.657 56.993 -3.519 1.00 13.56 C ANISOU 1723 CG PRO A 124 1656 1777 1718 72 -387 -193 C ATOM 1724 CD PRO A 124 30.487 58.353 -2.952 1.00 11.48 C ANISOU 1724 CD PRO A 124 1214 1776 1373 68 -306 -110 C ATOM 0 HA PRO A 124 31.912 58.915 -5.780 1.00 12.19 H new ATOM 0 HB2 PRO A 124 31.102 56.459 -5.441 1.00 14.04 H new ATOM 0 HB3 PRO A 124 32.355 56.955 -4.656 1.00 14.04 H new ATOM 0 HG2 PRO A 124 29.793 56.580 -3.673 1.00 13.56 H new ATOM 0 HG3 PRO A 124 31.136 56.424 -2.896 1.00 13.56 H new ATOM 0 HD2 PRO A 124 29.585 58.490 -2.623 1.00 11.48 H new ATOM 0 HD3 PRO A 124 31.087 58.503 -2.205 1.00 11.48 H new ATOM 1732 N GLU A 125 30.126 58.057 -7.415 1.00 11.71 N ANISOU 1732 N GLU A 125 1149 1967 1334 -118 160 -172 N ATOM 1733 CA GLU A 125 29.021 57.656 -8.244 1.00 13.62 C ANISOU 1733 CA GLU A 125 1501 2004 1670 -399 -106 -168 C ATOM 1734 C GLU A 125 28.409 56.368 -7.687 1.00 12.15 C ANISOU 1734 C GLU A 125 1157 1812 1646 -52 13 -149 C ATOM 1735 O GLU A 125 29.127 55.544 -7.121 1.00 11.04 O ANISOU 1735 O GLU A 125 1122 2063 1009 -78 44 -196 O ATOM 1736 CB GLU A 125 29.471 57.377 -9.689 1.00 16.12 C ANISOU 1736 CB GLU A 125 2274 2386 1466 -472 -188 -15 C ATOM 1737 CG GLU A 125 29.821 58.690 -10.340 1.00 22.40 C ANISOU 1737 CG GLU A 125 2954 3028 2530 -511 125 805 C ATOM 1738 CD GLU A 125 30.366 58.568 -11.750 1.00 27.96 C ANISOU 1738 CD GLU A 125 4103 3774 2745 -295 698 1004 C ATOM 1739 OE1 GLU A 125 30.863 59.678 -12.087 1.00 31.76 O ANISOU 1739 OE1 GLU A 125 4562 4323 3180 -698 666 1423 O ATOM 1740 OE2 GLU A 125 30.788 57.452 -12.151 1.00 32.28 O ANISOU 1740 OE2 GLU A 125 4664 4375 3226 2 566 154 O ATOM 0 H GLU A 125 30.900 57.965 -7.778 1.00 11.71 H new ATOM 0 HA GLU A 125 28.377 58.381 -8.245 1.00 13.62 H new ATOM 0 HB2 GLU A 125 30.237 56.782 -9.695 1.00 16.12 H new ATOM 0 HB3 GLU A 125 28.764 56.933 -10.183 1.00 16.12 H new ATOM 0 HG2 GLU A 125 29.029 59.250 -10.359 1.00 22.40 H new ATOM 0 HG3 GLU A 125 30.477 59.146 -9.790 1.00 22.40 H new ATOM 1747 N GLN A 126 27.092 56.221 -7.849 1.00 11.24 N ANISOU 1747 N GLN A 126 1201 1797 1274 -83 -122 218 N ATOM 1748 CA GLN A 126 26.443 54.996 -7.432 1.00 10.42 C ANISOU 1748 CA GLN A 126 1157 1732 1069 -76 -232 19 C ATOM 1749 C GLN A 126 27.163 53.818 -8.087 1.00 9.73 C ANISOU 1749 C GLN A 126 1097 1771 830 -326 -52 46 C ATOM 1750 O GLN A 126 27.414 53.858 -9.272 1.00 12.17 O ANISOU 1750 O GLN A 126 1404 2438 782 -476 37 -91 O ATOM 1751 CB GLN A 126 24.977 55.039 -7.859 1.00 11.36 C ANISOU 1751 CB GLN A 126 1115 2118 1082 -168 -157 -16 C ATOM 1752 CG GLN A 126 24.164 53.792 -7.529 1.00 11.30 C ANISOU 1752 CG GLN A 126 1186 2076 1032 -146 -123 75 C ATOM 1753 CD GLN A 126 23.689 53.724 -6.105 1.00 10.85 C ANISOU 1753 CD GLN A 126 1090 2025 1008 82 -177 85 C ATOM 1754 OE1 GLN A 126 23.735 54.687 -5.352 1.00 12.95 O ANISOU 1754 OE1 GLN A 126 1403 2310 1208 -34 104 -119 O ATOM 1755 NE2 GLN A 126 23.213 52.564 -5.703 1.00 12.53 N ANISOU 1755 NE2 GLN A 126 1496 2423 842 -326 -346 202 N ATOM 0 H GLN A 126 26.571 56.812 -8.193 1.00 11.24 H new ATOM 0 HA GLN A 126 26.482 54.896 -6.468 1.00 10.42 H new ATOM 0 HB2 GLN A 126 24.555 55.803 -7.436 1.00 11.36 H new ATOM 0 HB3 GLN A 126 24.939 55.188 -8.817 1.00 11.36 H new ATOM 0 HG2 GLN A 126 23.394 53.755 -8.118 1.00 11.30 H new ATOM 0 HG3 GLN A 126 24.703 53.008 -7.717 1.00 11.30 H new ATOM 0 HE21 GLN A 126 23.188 51.898 -6.246 1.00 12.53 H new ATOM 0 HE22 GLN A 126 22.927 52.473 -4.897 1.00 12.53 H new ATOM 1764 N GLY A 127 27.441 52.794 -7.285 1.00 10.50 N ANISOU 1764 N GLY A 127 1032 1880 1078 -7 -238 97 N ATOM 1765 CA GLY A 127 28.076 51.622 -7.829 1.00 13.18 C ANISOU 1765 CA GLY A 127 1118 1855 2034 -167 -104 -127 C ATOM 1766 C GLY A 127 29.585 51.653 -7.959 1.00 12.16 C ANISOU 1766 C GLY A 127 1039 1931 1650 -58 -250 -103 C ATOM 1767 O GLY A 127 30.158 50.613 -8.286 1.00 17.28 O ANISOU 1767 O GLY A 127 1276 2221 3070 60 -215 -587 O ATOM 0 H GLY A 127 27.271 52.765 -6.442 1.00 10.50 H new ATOM 0 HA2 GLY A 127 27.837 50.864 -7.272 1.00 13.18 H new ATOM 0 HA3 GLY A 127 27.701 51.457 -8.708 1.00 13.18 H new ATOM 1771 N HIS A 128 30.227 52.806 -7.693 1.00 10.90 N ANISOU 1771 N HIS A 128 879 1949 1311 -38 -212 23 N ATOM 1772 CA HIS A 128 31.694 52.801 -7.805 1.00 10.25 C ANISOU 1772 CA HIS A 128 939 1890 1067 8 -110 210 C ATOM 1773 C HIS A 128 32.311 51.831 -6.809 1.00 10.76 C ANISOU 1773 C HIS A 128 856 2298 935 124 -169 194 C ATOM 1774 O HIS A 128 31.895 51.804 -5.651 1.00 12.51 O ANISOU 1774 O HIS A 128 1084 2457 1210 84 277 121 O ATOM 1775 CB HIS A 128 32.182 54.217 -7.578 1.00 12.35 C ANISOU 1775 CB HIS A 128 1200 2150 1344 -400 -79 -202 C ATOM 1776 CG HIS A 128 33.689 54.260 -7.681 1.00 12.23 C ANISOU 1776 CG HIS A 128 1218 2124 1304 -275 -130 13 C ATOM 1777 ND1 HIS A 128 34.311 54.200 -8.917 1.00 14.48 N ANISOU 1777 ND1 HIS A 128 1347 2735 1421 -563 29 10 N ATOM 1778 CD2 HIS A 128 34.673 54.332 -6.774 1.00 12.44 C ANISOU 1778 CD2 HIS A 128 1139 2163 1423 -449 -135 43 C ATOM 1779 CE1 HIS A 128 35.626 54.231 -8.757 1.00 14.81 C ANISOU 1779 CE1 HIS A 128 1336 2681 1610 -480 65 -234 C ATOM 1780 NE2 HIS A 128 35.882 54.325 -7.438 1.00 13.58 N ANISOU 1780 NE2 HIS A 128 1270 2376 1516 -304 25 62 N ATOM 0 H HIS A 128 29.862 53.550 -7.463 1.00 10.90 H new ATOM 0 HA HIS A 128 31.964 52.500 -8.687 1.00 10.25 H new ATOM 0 HB2 HIS A 128 31.787 54.813 -8.233 1.00 12.35 H new ATOM 0 HB3 HIS A 128 31.900 54.529 -6.704 1.00 12.35 H new ATOM 0 HD2 HIS A 128 34.560 54.379 -5.852 1.00 12.44 H new ATOM 0 HE1 HIS A 128 36.261 54.194 -9.436 1.00 14.81 H new ATOM 0 HE2 HIS A 128 36.660 54.372 -7.075 1.00 13.58 H new ATOM 1787 N THR A 129 33.351 51.120 -7.234 1.00 11.00 N ANISOU 1787 N THR A 129 1005 2292 884 230 -241 -278 N ATOM 1788 CA THR A 129 34.133 50.266 -6.360 1.00 10.33 C ANISOU 1788 CA THR A 129 996 1767 1162 -39 -203 101 C ATOM 1789 C THR A 129 35.341 50.977 -5.794 1.00 8.96 C ANISOU 1789 C THR A 129 723 1754 929 93 -63 212 C ATOM 1790 O THR A 129 36.312 51.252 -6.504 1.00 11.03 O ANISOU 1790 O THR A 129 992 2201 1000 -95 137 388 O ATOM 1791 CB THR A 129 34.648 49.046 -7.142 1.00 11.89 C ANISOU 1791 CB THR A 129 1370 1777 1372 -97 -194 -323 C ATOM 1792 OG1 THR A 129 33.500 48.373 -7.671 1.00 15.99 O ANISOU 1792 OG1 THR A 129 1529 2108 2436 -148 -434 -588 O ATOM 1793 CG2 THR A 129 35.491 48.155 -6.226 1.00 13.98 C ANISOU 1793 CG2 THR A 129 1654 1778 1881 159 -227 -222 C ATOM 0 H THR A 129 33.623 51.123 -8.050 1.00 11.00 H new ATOM 0 HA THR A 129 33.546 50.004 -5.634 1.00 10.33 H new ATOM 0 HB THR A 129 35.230 49.303 -7.874 1.00 11.89 H new ATOM 0 HG1 THR A 129 32.871 48.414 -7.116 1.00 15.99 H new ATOM 0 HG21 THR A 129 35.812 47.388 -6.726 1.00 13.98 H new ATOM 0 HG22 THR A 129 36.247 48.660 -5.889 1.00 13.98 H new ATOM 0 HG23 THR A 129 34.949 47.851 -5.482 1.00 13.98 H new ATOM 1800 N ALA A 130 35.301 51.361 -4.520 1.00 9.09 N ANISOU 1800 N ALA A 130 704 1850 900 175 -40 225 N ATOM 1801 CA ALA A 130 36.451 51.992 -3.886 1.00 10.23 C ANISOU 1801 CA ALA A 130 891 2033 962 101 -100 349 C ATOM 1802 C ALA A 130 37.624 51.037 -3.848 1.00 10.09 C ANISOU 1802 C ALA A 130 895 2019 918 89 -366 387 C ATOM 1803 O ALA A 130 37.437 49.836 -3.716 1.00 12.36 O ANISOU 1803 O ALA A 130 1088 1991 1617 169 -213 -402 O ATOM 1804 CB ALA A 130 36.078 52.445 -2.478 1.00 10.43 C ANISOU 1804 CB ALA A 130 881 2179 904 24 -108 301 C ATOM 0 H ALA A 130 34.617 51.264 -4.007 1.00 9.09 H new ATOM 0 HA ALA A 130 36.713 52.768 -4.405 1.00 10.23 H new ATOM 0 HB1 ALA A 130 36.846 52.865 -2.059 1.00 10.43 H new ATOM 0 HB2 ALA A 130 35.348 53.082 -2.526 1.00 10.43 H new ATOM 0 HB3 ALA A 130 35.803 51.677 -1.953 1.00 10.43 H new ATOM 1810 N THR A 131 38.832 51.546 -3.937 1.00 10.47 N ANISOU 1810 N THR A 131 862 1977 1139 221 -86 528 N ATOM 1811 CA THR A 131 40.042 50.734 -3.805 1.00 12.02 C ANISOU 1811 CA THR A 131 976 2384 1209 388 -303 656 C ATOM 1812 C THR A 131 41.192 51.630 -3.329 1.00 12.28 C ANISOU 1812 C THR A 131 953 2371 1343 400 -236 645 C ATOM 1813 O THR A 131 41.086 52.860 -3.178 1.00 13.20 O ANISOU 1813 O THR A 131 934 2432 1651 153 -163 546 O ATOM 1814 CB THR A 131 40.351 49.970 -5.125 1.00 13.25 C ANISOU 1814 CB THR A 131 1240 2384 1411 522 -118 -773 C ATOM 1815 OG1 THR A 131 41.286 48.921 -4.838 1.00 15.82 O ANISOU 1815 OG1 THR A 131 1221 2868 1923 773 -286 -738 O ATOM 1816 CG2 THR A 131 40.886 50.938 -6.155 1.00 14.39 C ANISOU 1816 CG2 THR A 131 1653 2562 1253 160 -21 -929 C ATOM 0 H THR A 131 38.985 52.381 -4.077 1.00 10.47 H new ATOM 0 HA THR A 131 39.913 50.044 -3.136 1.00 12.02 H new ATOM 0 HB THR A 131 39.546 49.571 -5.491 1.00 13.25 H new ATOM 0 HG1 THR A 131 41.591 48.613 -5.557 1.00 15.82 H new ATOM 0 HG21 THR A 131 41.079 50.462 -6.978 1.00 14.39 H new ATOM 0 HG22 THR A 131 40.224 51.626 -6.327 1.00 14.39 H new ATOM 0 HG23 THR A 131 41.699 51.349 -5.822 1.00 14.39 H new ATOM 1823 N GLY A 134 42.324 51.016 -3.073 1.00 15.30 N ANISOU 1823 N GLY A 134 1167 2784 1864 556 -745 -978 N ATOM 1824 CA GLY A 134 43.484 51.644 -2.500 1.00 14.27 C ANISOU 1824 CA GLY A 134 1088 2864 1469 406 -289 1110 C ATOM 1825 C GLY A 134 43.326 51.752 -0.976 1.00 12.86 C ANISOU 1825 C GLY A 134 938 2499 1449 167 -75 963 C ATOM 1826 O GLY A 134 42.374 51.313 -0.381 1.00 15.20 O ANISOU 1826 O GLY A 134 922 2834 2019 -189 242 -417 O ATOM 0 H GLY A 134 42.442 50.180 -3.237 1.00 15.30 H new ATOM 0 HA2 GLY A 134 44.278 51.130 -2.714 1.00 14.27 H new ATOM 0 HA3 GLY A 134 43.605 52.527 -2.883 1.00 14.27 H new ATOM 1830 N ASP A 135 44.360 52.308 -0.397 1.00 10.70 N ANISOU 1830 N ASP A 135 780 2206 1080 71 289 889 N ATOM 1831 CA ASP A 135 44.360 52.680 1.020 1.00 9.17 C ANISOU 1831 CA ASP A 135 887 1724 872 119 120 412 C ATOM 1832 C ASP A 135 43.335 53.812 1.208 1.00 7.85 C ANISOU 1832 C ASP A 135 914 1332 737 -82 158 424 C ATOM 1833 O ASP A 135 43.227 54.696 0.367 1.00 9.78 O ANISOU 1833 O ASP A 135 927 1849 941 73 297 -72 O ATOM 1834 CB ASP A 135 45.760 53.021 1.494 1.00 8.79 C ANISOU 1834 CB ASP A 135 911 1447 983 -54 204 409 C ATOM 1835 CG ASP A 135 46.610 51.885 1.952 1.00 8.18 C ANISOU 1835 CG ASP A 135 705 1361 1044 -45 229 439 C ATOM 1836 OD1 ASP A 135 46.139 50.735 2.108 1.00 8.87 O ANISOU 1836 OD1 ASP A 135 680 1554 1137 -68 -71 299 O ATOM 1837 OD2 ASP A 135 47.837 52.123 2.199 1.00 11.37 O ANISOU 1837 OD2 ASP A 135 771 1570 1979 -55 157 313 O ATOM 0 H ASP A 135 45.095 52.488 -0.807 1.00 10.70 H new ATOM 0 HA ASP A 135 44.090 51.936 1.581 1.00 9.17 H new ATOM 0 HB2 ASP A 135 46.223 53.472 0.771 1.00 8.79 H new ATOM 0 HB3 ASP A 135 45.686 53.656 2.223 1.00 8.79 H new ATOM 1842 N VAL A 136 42.680 53.745 2.343 1.00 8.51 N ANISOU 1842 N VAL A 136 785 1715 732 -2 144 292 N ATOM 1843 CA VAL A 136 41.655 54.731 2.702 1.00 8.76 C ANISOU 1843 CA VAL A 136 774 1665 891 -196 288 436 C ATOM 1844 C VAL A 136 41.957 55.320 4.065 1.00 8.89 C ANISOU 1844 C VAL A 136 767 1674 937 -34 159 441 C ATOM 1845 O VAL A 136 42.792 54.770 4.809 1.00 9.33 O ANISOU 1845 O VAL A 136 843 1658 1044 -23 40 473 O ATOM 1846 CB VAL A 136 40.261 54.090 2.662 1.00 8.41 C ANISOU 1846 CB VAL A 136 797 1572 825 -274 236 238 C ATOM 1847 CG1 VAL A 136 39.947 53.521 1.280 1.00 9.52 C ANISOU 1847 CG1 VAL A 136 1017 1730 869 -326 86 -261 C ATOM 1848 CG2 VAL A 136 40.129 52.984 3.703 1.00 8.85 C ANISOU 1848 CG2 VAL A 136 589 1844 931 -90 14 -31 C ATOM 0 H VAL A 136 42.807 53.134 2.934 1.00 8.51 H new ATOM 0 HA VAL A 136 41.665 55.453 2.054 1.00 8.76 H new ATOM 0 HB VAL A 136 39.624 54.793 2.865 1.00 8.41 H new ATOM 0 HG11 VAL A 136 39.062 53.124 1.287 1.00 9.52 H new ATOM 0 HG12 VAL A 136 39.976 54.233 0.622 1.00 9.52 H new ATOM 0 HG13 VAL A 136 40.603 52.844 1.052 1.00 9.52 H new ATOM 0 HG21 VAL A 136 39.240 52.598 3.655 1.00 8.85 H new ATOM 0 HG22 VAL A 136 40.790 52.295 3.529 1.00 8.85 H new ATOM 0 HG23 VAL A 136 40.273 53.354 4.588 1.00 8.85 H new ATOM 1858 N ILE A 137 41.346 56.462 4.344 1.00 8.11 N ANISOU 1858 N ILE A 137 779 1520 782 -108 146 321 N ATOM 1859 CA ILE A 137 41.612 57.185 5.602 1.00 8.42 C ANISOU 1859 CA ILE A 137 738 1516 943 -199 209 422 C ATOM 1860 C ILE A 137 40.336 57.284 6.413 1.00 7.50 C ANISOU 1860 C ILE A 137 684 1341 827 -100 135 277 C ATOM 1861 O ILE A 137 39.309 57.798 5.944 1.00 7.86 O ANISOU 1861 O ILE A 137 706 1599 680 -132 165 145 O ATOM 1862 CB ILE A 137 42.178 58.594 5.317 1.00 9.12 C ANISOU 1862 CB ILE A 137 914 1591 962 -255 270 335 C ATOM 1863 CG1 ILE A 137 43.409 58.555 4.424 1.00 11.40 C ANISOU 1863 CG1 ILE A 137 959 1997 1375 -403 360 279 C ATOM 1864 CG2 ILE A 137 42.455 59.319 6.629 1.00 10.80 C ANISOU 1864 CG2 ILE A 137 1272 1563 1270 -251 -48 -482 C ATOM 1865 CD1 ILE A 137 43.918 59.893 4.024 1.00 17.46 C ANISOU 1865 CD1 ILE A 137 2205 2344 2087 -579 875 392 C ATOM 0 H ILE A 137 40.774 56.842 3.827 1.00 8.11 H new ATOM 0 HA ILE A 137 42.276 56.692 6.110 1.00 8.42 H new ATOM 0 HB ILE A 137 41.506 59.091 4.824 1.00 9.12 H new ATOM 0 HG12 ILE A 137 44.115 58.077 4.886 1.00 11.40 H new ATOM 0 HG13 ILE A 137 43.199 58.048 3.624 1.00 11.40 H new ATOM 0 HG21 ILE A 137 42.810 60.202 6.442 1.00 10.80 H new ATOM 0 HG22 ILE A 137 41.631 59.402 7.133 1.00 10.80 H new ATOM 0 HG23 ILE A 137 43.101 58.814 7.148 1.00 10.80 H new ATOM 0 HD11 ILE A 137 44.699 59.787 3.459 1.00 17.46 H new ATOM 0 HD12 ILE A 137 43.228 60.369 3.535 1.00 17.46 H new ATOM 0 HD13 ILE A 137 44.159 60.398 4.816 1.00 17.46 H new ATOM 1877 N VAL A 138 40.422 56.793 7.642 1.00 7.25 N ANISOU 1877 N VAL A 138 436 1592 725 -21 6 361 N ATOM 1878 CA VAL A 138 39.304 56.804 8.596 1.00 7.40 C ANISOU 1878 CA VAL A 138 471 1484 858 -75 101 393 C ATOM 1879 C VAL A 138 39.631 57.802 9.704 1.00 7.53 C ANISOU 1879 C VAL A 138 552 1532 777 -162 134 357 C ATOM 1880 O VAL A 138 40.784 57.756 10.199 1.00 8.88 O ANISOU 1880 O VAL A 138 510 1927 937 -130 115 496 O ATOM 1881 CB VAL A 138 39.038 55.401 9.140 1.00 8.56 C ANISOU 1881 CB VAL A 138 691 1590 971 -200 168 383 C ATOM 1882 CG1 VAL A 138 37.824 55.363 10.038 1.00 10.32 C ANISOU 1882 CG1 VAL A 138 970 2007 944 -316 327 362 C ATOM 1883 CG2 VAL A 138 38.858 54.435 7.951 1.00 9.16 C ANISOU 1883 CG2 VAL A 138 967 1543 971 -202 147 415 C ATOM 0 H VAL A 138 41.139 56.437 7.956 1.00 7.25 H new ATOM 0 HA VAL A 138 38.486 57.082 8.154 1.00 7.40 H new ATOM 0 HB VAL A 138 39.796 55.130 9.681 1.00 8.56 H new ATOM 0 HG11 VAL A 138 37.689 54.459 10.362 1.00 10.32 H new ATOM 0 HG12 VAL A 138 37.960 55.959 10.791 1.00 10.32 H new ATOM 0 HG13 VAL A 138 37.043 55.647 9.538 1.00 10.32 H new ATOM 0 HG21 VAL A 138 38.688 53.540 8.284 1.00 9.16 H new ATOM 0 HG22 VAL A 138 38.108 54.725 7.409 1.00 9.16 H new ATOM 0 HG23 VAL A 138 39.664 54.431 7.412 1.00 9.16 H new ATOM 1893 N THR A 139 38.685 58.654 10.085 1.00 8.19 N ANISOU 1893 N THR A 139 586 1721 807 -150 261 441 N ATOM 1894 CA THR A 139 38.924 59.705 11.064 1.00 8.85 C ANISOU 1894 CA THR A 139 842 1622 898 -183 341 458 C ATOM 1895 C THR A 139 37.853 59.755 12.129 1.00 9.07 C ANISOU 1895 C THR A 139 815 1820 813 -361 211 531 C ATOM 1896 O THR A 139 36.699 59.336 11.885 1.00 9.38 O ANISOU 1896 O THR A 139 627 2100 839 -173 94 552 O ATOM 1897 CB THR A 139 38.996 61.077 10.330 1.00 9.60 C ANISOU 1897 CB THR A 139 796 1758 1093 -29 189 166 C ATOM 1898 OG1 THR A 139 37.943 61.192 9.428 1.00 9.55 O ANISOU 1898 OG1 THR A 139 919 1689 1021 -257 99 516 O ATOM 1899 CG2 THR A 139 40.308 61.191 9.542 1.00 10.52 C ANISOU 1899 CG2 THR A 139 1001 1903 1094 -201 336 -120 C ATOM 0 H THR A 139 37.881 58.637 9.780 1.00 8.19 H new ATOM 0 HA THR A 139 39.763 59.510 11.510 1.00 8.85 H new ATOM 0 HB THR A 139 38.946 61.778 10.999 1.00 9.60 H new ATOM 0 HG1 THR A 139 37.299 61.585 9.797 1.00 9.55 H new ATOM 0 HG21 THR A 139 40.341 62.049 9.090 1.00 10.52 H new ATOM 0 HG22 THR A 139 41.059 61.118 10.151 1.00 10.52 H new ATOM 0 HG23 THR A 139 40.355 60.478 8.886 1.00 10.52 H new ATOM 1906 N GLY A 140 38.241 60.198 13.318 1.00 8.90 N ANISOU 1906 N GLY A 140 676 1817 887 -319 256 675 N ATOM 1907 CA GLY A 140 37.276 60.369 14.391 1.00 9.16 C ANISOU 1907 CA GLY A 140 590 2182 708 33 87 308 C ATOM 1908 C GLY A 140 37.909 60.587 15.731 1.00 9.16 C ANISOU 1908 C GLY A 140 738 1911 832 -282 90 660 C ATOM 1909 O GLY A 140 39.114 60.608 15.896 1.00 10.80 O ANISOU 1909 O GLY A 140 751 2435 916 -300 83 698 O ATOM 0 H GLY A 140 39.051 60.403 13.522 1.00 8.90 H new ATOM 0 HA2 GLY A 140 36.703 61.124 14.185 1.00 9.16 H new ATOM 0 HA3 GLY A 140 36.707 59.585 14.433 1.00 9.16 H new ATOM 1913 N TRP A 141 37.030 60.774 16.727 1.00 9.81 N ANISOU 1913 N TRP A 141 731 2255 743 -86 54 592 N ATOM 1914 CA TRP A 141 37.387 61.006 18.110 1.00 9.79 C ANISOU 1914 CA TRP A 141 905 2018 799 -110 -96 613 C ATOM 1915 C TRP A 141 37.080 59.786 18.977 1.00 10.49 C ANISOU 1915 C TRP A 141 927 2155 904 -145 -201 434 C ATOM 1916 O TRP A 141 36.955 59.918 20.212 1.00 13.55 O ANISOU 1916 O TRP A 141 1583 2712 855 -154 -111 -355 O ATOM 1917 CB TRP A 141 36.733 62.234 18.692 1.00 10.76 C ANISOU 1917 CB TRP A 141 1044 2086 956 -136 5 -655 C ATOM 1918 CG TRP A 141 37.141 63.563 18.147 1.00 10.95 C ANISOU 1918 CG TRP A 141 1122 1961 1076 -247 223 -793 C ATOM 1919 CD1 TRP A 141 38.173 64.328 18.659 1.00 11.92 C ANISOU 1919 CD1 TRP A 141 1289 2112 1129 -239 157 -871 C ATOM 1920 CD2 TRP A 141 36.584 64.307 17.055 1.00 10.67 C ANISOU 1920 CD2 TRP A 141 1167 1962 926 -406 298 -748 C ATOM 1921 NE1 TRP A 141 38.281 65.482 17.951 1.00 12.01 N ANISOU 1921 NE1 TRP A 141 1013 2100 1451 -367 204 -761 N ATOM 1922 CE2 TRP A 141 37.319 65.499 16.961 1.00 11.20 C ANISOU 1922 CE2 TRP A 141 906 1893 1455 -258 216 705 C ATOM 1923 CE3 TRP A 141 35.530 64.094 16.142 1.00 9.80 C ANISOU 1923 CE3 TRP A 141 1010 1657 1056 -228 344 -754 C ATOM 1924 CZ2 TRP A 141 37.057 66.462 16.006 1.00 12.53 C ANISOU 1924 CZ2 TRP A 141 1519 1872 1370 -210 282 -695 C ATOM 1925 CZ3 TRP A 141 35.282 65.049 15.219 1.00 11.81 C ANISOU 1925 CZ3 TRP A 141 1231 2160 1095 -212 371 -491 C ATOM 1926 CH2 TRP A 141 36.006 66.221 15.127 1.00 11.64 C ANISOU 1926 CH2 TRP A 141 1356 1733 1335 3 316 -578 C ATOM 0 H TRP A 141 36.180 60.767 16.597 1.00 9.81 H new ATOM 0 HA TRP A 141 38.344 61.163 18.113 1.00 9.79 H new ATOM 0 HB2 TRP A 141 35.774 62.145 18.575 1.00 10.76 H new ATOM 0 HB3 TRP A 141 36.903 62.238 19.647 1.00 10.76 H new ATOM 0 HD1 TRP A 141 38.711 64.089 19.379 1.00 11.92 H new ATOM 0 HE1 TRP A 141 38.857 66.104 18.096 1.00 12.01 H new ATOM 0 HE3 TRP A 141 35.020 63.317 16.175 1.00 9.80 H new ATOM 0 HZ2 TRP A 141 37.563 67.240 15.953 1.00 12.53 H new ATOM 0 HZ3 TRP A 141 34.589 64.910 14.615 1.00 11.81 H new ATOM 0 HH2 TRP A 141 35.791 66.850 14.477 1.00 11.64 H new ATOM 1937 N GLY A 142 36.949 58.623 18.343 1.00 11.40 N ANISOU 1937 N GLY A 142 1077 2103 1152 -291 118 -381 N ATOM 1938 CA GLY A 142 36.786 57.384 19.058 1.00 11.36 C ANISOU 1938 CA GLY A 142 1234 2123 961 -219 -18 -471 C ATOM 1939 C GLY A 142 37.932 56.999 19.942 1.00 11.81 C ANISOU 1939 C GLY A 142 1046 2243 1198 -28 132 -365 C ATOM 1940 O GLY A 142 38.992 57.612 19.903 1.00 12.77 O ANISOU 1940 O GLY A 142 1180 2432 1240 -262 -13 -434 O ATOM 0 H GLY A 142 36.953 58.540 17.487 1.00 11.40 H new ATOM 0 HA2 GLY A 142 35.984 57.444 19.601 1.00 11.36 H new ATOM 0 HA3 GLY A 142 36.640 56.673 18.414 1.00 11.36 H new ATOM 1944 N THR A 143 37.766 55.929 20.712 1.00 12.99 N ANISOU 1944 N THR A 143 1316 2527 1094 -249 -74 -233 N ATOM 1945 CA THR A 143 38.842 55.461 21.593 1.00 13.21 C ANISOU 1945 CA THR A 143 1377 2526 1118 -100 -55 -224 C ATOM 1946 C THR A 143 40.068 55.022 20.795 1.00 13.44 C ANISOU 1946 C THR A 143 1421 2510 1175 -175 -173 -529 C ATOM 1947 O THR A 143 40.019 54.577 19.638 1.00 12.37 O ANISOU 1947 O THR A 143 1160 2494 1045 -217 -100 -313 O ATOM 1948 CB THR A 143 38.397 54.283 22.482 1.00 14.72 C ANISOU 1948 CB THR A 143 2007 2494 1091 -215 -92 -218 C ATOM 1949 OG1 THR A 143 37.925 53.187 21.710 1.00 17.31 O ANISOU 1949 OG1 THR A 143 2187 3025 1367 -863 31 -341 O ATOM 1950 CG2 THR A 143 37.264 54.682 23.428 1.00 15.79 C ANISOU 1950 CG2 THR A 143 1967 2630 1403 -261 135 105 C ATOM 0 H THR A 143 37.046 55.460 20.743 1.00 12.99 H new ATOM 0 HA THR A 143 39.068 56.217 22.157 1.00 13.21 H new ATOM 0 HB THR A 143 39.186 54.028 22.986 1.00 14.72 H new ATOM 0 HG1 THR A 143 38.575 52.801 21.344 1.00 17.31 H new ATOM 0 HG21 THR A 143 37.011 53.918 23.970 1.00 15.79 H new ATOM 0 HG22 THR A 143 37.562 55.403 24.005 1.00 15.79 H new ATOM 0 HG23 THR A 143 36.499 54.978 22.910 1.00 15.79 H new ATOM 1957 N THR A 144 41.216 55.144 21.457 1.00 13.47 N ANISOU 1957 N THR A 144 1341 2741 1036 -138 -143 -306 N ATOM 1958 CA THR A 144 42.484 54.852 20.808 1.00 13.75 C ANISOU 1958 CA THR A 144 1453 2678 1095 -209 45 -323 C ATOM 1959 C THR A 144 42.981 53.439 21.025 1.00 13.69 C ANISOU 1959 C THR A 144 1492 2689 1020 -123 -304 -277 C ATOM 1960 O THR A 144 44.034 53.030 20.559 1.00 16.95 O ANISOU 1960 O THR A 144 1865 3086 1488 148 -118 -545 O ATOM 1961 CB THR A 144 43.589 55.859 21.187 1.00 14.27 C ANISOU 1961 CB THR A 144 1297 2660 1467 -8 -177 -528 C ATOM 1962 OG1 THR A 144 43.721 55.843 22.622 1.00 17.16 O ANISOU 1962 OG1 THR A 144 2157 2831 1533 -117 -467 -485 O ATOM 1963 CG2 THR A 144 43.292 57.263 20.742 1.00 15.69 C ANISOU 1963 CG2 THR A 144 1702 2650 1611 -197 74 -344 C ATOM 0 H THR A 144 41.279 55.393 22.278 1.00 13.47 H new ATOM 0 HA THR A 144 42.288 54.942 19.862 1.00 13.75 H new ATOM 0 HB THR A 144 44.405 55.591 20.737 1.00 14.27 H new ATOM 0 HG1 THR A 144 44.133 56.530 22.873 1.00 17.16 H new ATOM 0 HG21 THR A 144 44.019 57.847 21.007 1.00 15.69 H new ATOM 0 HG22 THR A 144 43.197 57.284 19.777 1.00 15.69 H new ATOM 0 HG23 THR A 144 42.468 57.566 21.154 1.00 15.69 H new ATOM 1970 N SER A 145 42.239 52.633 21.762 1.00 15.52 N ANISOU 1970 N SER A 145 2003 2616 1279 -555 -311 -471 N ATOM 1971 CA SER A 145 42.421 51.219 21.915 1.00 16.75 C ANISOU 1971 CA SER A 145 2082 2752 1530 -217 102 -198 C ATOM 1972 C SER A 145 41.065 50.621 22.283 1.00 16.60 C ANISOU 1972 C SER A 145 2198 2722 1386 -312 -98 133 C ATOM 1973 O SER A 145 40.181 51.333 22.769 1.00 16.19 O ANISOU 1973 O SER A 145 1924 2666 1560 -544 -99 110 O ATOM 1974 CB SER A 145 43.457 50.871 22.970 1.00 17.96 C ANISOU 1974 CB SER A 145 2116 3005 1705 40 28 -390 C ATOM 1975 OG SER A 145 43.110 51.354 24.240 1.00 20.91 O ANISOU 1975 OG SER A 145 2567 3769 1609 -613 81 -607 O ATOM 0 H SER A 145 41.570 52.926 22.216 1.00 15.52 H new ATOM 0 HA SER A 145 42.756 50.852 21.082 1.00 16.75 H new ATOM 0 HB2 SER A 145 43.562 49.908 23.011 1.00 17.96 H new ATOM 0 HB3 SER A 145 44.316 51.239 22.710 1.00 17.96 H new ATOM 0 HG SER A 145 43.140 50.726 24.797 1.00 20.91 H new ATOM 1980 N GLU A 146 40.875 49.341 22.079 1.00 17.05 N ANISOU 1980 N GLU A 146 2256 2784 1439 -311 -297 71 N ATOM 1981 CA GLU A 146 39.605 48.743 22.479 1.00 18.41 C ANISOU 1981 CA GLU A 146 2494 2853 1647 -514 19 -243 C ATOM 1982 C GLU A 146 39.355 48.887 23.977 1.00 18.71 C ANISOU 1982 C GLU A 146 2650 2833 1627 -290 13 -70 C ATOM 1983 O GLU A 146 40.230 48.470 24.746 1.00 21.89 O ANISOU 1983 O GLU A 146 2560 3855 1904 -448 -437 -337 O ATOM 1984 CB GLU A 146 39.655 47.269 22.082 1.00 16.57 C ANISOU 1984 CB GLU A 146 1991 2716 1589 -197 34 53 C ATOM 1985 CG GLU A 146 38.322 46.552 22.369 1.00 16.34 C ANISOU 1985 CG GLU A 146 1950 2828 1429 -281 -135 47 C ATOM 1986 CD GLU A 146 38.357 45.127 21.909 1.00 15.79 C ANISOU 1986 CD GLU A 146 2025 2715 1262 -245 -79 276 C ATOM 1987 OE1 GLU A 146 39.089 44.713 20.951 1.00 13.92 O ANISOU 1987 OE1 GLU A 146 1447 2530 1311 -76 -333 309 O ATOM 1988 OE2 GLU A 146 37.596 44.375 22.564 1.00 18.77 O ANISOU 1988 OE2 GLU A 146 2444 3055 1634 -422 157 474 O ATOM 0 H GLU A 146 41.444 48.804 21.721 1.00 17.05 H new ATOM 0 HA GLU A 146 38.873 49.200 22.035 1.00 18.41 H new ATOM 0 HB2 GLU A 146 39.865 47.196 21.138 1.00 16.57 H new ATOM 0 HB3 GLU A 146 40.370 46.828 22.567 1.00 16.57 H new ATOM 0 HG2 GLU A 146 38.135 46.582 23.320 1.00 16.34 H new ATOM 0 HG3 GLU A 146 37.599 47.020 21.923 1.00 16.34 H new ATOM 1995 N GLY A 147 38.209 49.454 24.361 1.00 18.72 N ANISOU 1995 N GLY A 147 2422 3069 1620 -572 -25 -346 N ATOM 1996 CA GLY A 147 37.985 49.573 25.787 1.00 19.69 C ANISOU 1996 CA GLY A 147 2671 3121 1690 -361 86 -258 C ATOM 1997 C GLY A 147 38.822 50.653 26.427 1.00 20.78 C ANISOU 1997 C GLY A 147 3226 3147 1521 -467 56 -403 C ATOM 1998 O GLY A 147 38.894 50.680 27.663 1.00 22.43 O ANISOU 1998 O GLY A 147 3423 3541 1559 220 -398 -289 O ATOM 0 H GLY A 147 37.590 49.756 23.846 1.00 18.72 H new ATOM 0 HA2 GLY A 147 37.047 49.760 25.947 1.00 19.69 H new ATOM 0 HA3 GLY A 147 38.182 48.724 26.212 1.00 19.69 H new ATOM 2002 N GLY A 148 39.417 51.527 25.645 1.00 22.92 N ANISOU 2002 N GLY A 148 3256 3438 2015 -742 239 -383 N ATOM 2003 CA GLY A 148 40.381 52.520 26.030 1.00 20.90 C ANISOU 2003 CA GLY A 148 2977 3332 1634 -458 -50 -155 C ATOM 2004 C GLY A 148 39.925 53.935 26.229 1.00 20.54 C ANISOU 2004 C GLY A 148 2985 3436 1382 -322 -323 -450 C ATOM 2005 O GLY A 148 38.765 54.168 26.520 1.00 22.41 O ANISOU 2005 O GLY A 148 2946 3770 1799 -213 -414 -376 O ATOM 0 H GLY A 148 39.250 51.554 24.802 1.00 22.92 H new ATOM 0 HA2 GLY A 148 40.791 52.225 26.858 1.00 20.90 H new ATOM 0 HA3 GLY A 148 41.078 52.529 25.356 1.00 20.90 H new ATOM 2009 N ASN A 149 40.818 54.906 26.103 1.00 21.33 N ANISOU 2009 N ASN A 149 3152 3344 1611 -294 -153 -434 N ATOM 2010 CA ASN A 149 40.520 56.304 26.346 1.00 23.32 C ANISOU 2010 CA ASN A 149 3345 3372 2144 -328 11 -406 C ATOM 2011 C ASN A 149 40.235 57.064 25.061 1.00 20.22 C ANISOU 2011 C ASN A 149 2910 2936 1836 -260 98 -799 C ATOM 2012 O ASN A 149 40.641 56.618 23.954 1.00 19.83 O ANISOU 2012 O ASN A 149 2193 3474 1869 21 -237 1059 O ATOM 2013 CB ASN A 149 41.667 57.004 27.077 1.00 24.99 C ANISOU 2013 CB ASN A 149 3823 3319 2355 -100 -554 -647 C ATOM 2014 CG ASN A 149 42.081 56.288 28.359 1.00 28.49 C ANISOU 2014 CG ASN A 149 3987 4030 2810 -268 -615 -13 C ATOM 2015 OD1 ASN A 149 41.237 55.840 29.133 1.00 32.62 O ANISOU 2015 OD1 ASN A 149 4754 5255 2386 -691 -292 -285 O ATOM 2016 ND2 ASN A 149 43.394 56.188 28.511 1.00 32.78 N ANISOU 2016 ND2 ASN A 149 4096 4292 4068 35 -947 466 N ATOM 0 H ASN A 149 41.633 54.765 25.868 1.00 21.33 H new ATOM 0 HA ASN A 149 39.724 56.311 26.901 1.00 23.32 H new ATOM 0 HB2 ASN A 149 42.433 57.064 26.484 1.00 24.99 H new ATOM 0 HB3 ASN A 149 41.401 57.912 27.291 1.00 24.99 H new ATOM 0 HD21 ASN A 149 43.718 55.782 29.197 1.00 32.78 H new ATOM 0 HD22 ASN A 149 43.922 56.529 27.924 1.00 32.78 H new ATOM 2023 N THR A 151 39.546 58.181 25.188 1.00 21.05 N ANISOU 2023 N THR A 151 3023 3066 1910 -129 388 -798 N ATOM 2024 CA THR A 151 39.170 58.976 24.018 1.00 22.52 C ANISOU 2024 CA THR A 151 3091 3020 2447 -356 264 -376 C ATOM 2025 C THR A 151 40.010 60.243 23.958 1.00 22.19 C ANISOU 2025 C THR A 151 3398 3264 1769 -679 142 -818 C ATOM 2026 O THR A 151 40.202 60.925 24.976 1.00 26.09 O ANISOU 2026 O THR A 151 3563 4248 2102 -467 -34 1490 O ATOM 2027 CB THR A 151 37.666 59.331 23.902 1.00 26.63 C ANISOU 2027 CB THR A 151 3119 3441 3559 -276 77 42 C ATOM 2028 OG1 THR A 151 37.469 60.692 24.222 1.00 32.24 O ANISOU 2028 OG1 THR A 151 3881 3713 4657 361 443 -239 O ATOM 2029 CG2 THR A 151 36.862 58.473 24.872 1.00 26.28 C ANISOU 2029 CG2 THR A 151 2910 4208 2867 -121 205 -97 C ATOM 0 H THR A 151 39.282 58.503 25.940 1.00 21.05 H new ATOM 0 HA THR A 151 39.349 58.401 23.258 1.00 22.52 H new ATOM 0 HB THR A 151 37.372 59.164 22.993 1.00 26.63 H new ATOM 0 HG1 THR A 151 36.653 60.880 24.157 1.00 32.24 H new ATOM 0 HG21 THR A 151 35.921 58.696 24.798 1.00 26.28 H new ATOM 0 HG22 THR A 151 36.989 57.536 24.657 1.00 26.28 H new ATOM 0 HG23 THR A 151 37.163 58.640 25.779 1.00 26.28 H new ATOM 2036 N PRO A 152 40.505 60.531 22.752 1.00 20.15 N ANISOU 2036 N PRO A 152 2754 3139 1765 -719 -74 -810 N ATOM 2037 CA PRO A 152 41.468 61.632 22.542 1.00 19.71 C ANISOU 2037 CA PRO A 152 2668 3043 1777 -616 -495 -457 C ATOM 2038 C PRO A 152 40.711 62.925 22.385 1.00 20.03 C ANISOU 2038 C PRO A 152 2490 3213 1906 -424 49 -340 C ATOM 2039 O PRO A 152 39.569 62.940 21.879 1.00 23.15 O ANISOU 2039 O PRO A 152 2420 3888 2489 -72 -108 1175 O ATOM 2040 CB PRO A 152 42.128 61.194 21.237 1.00 19.22 C ANISOU 2040 CB PRO A 152 2122 2927 2252 -508 -248 -436 C ATOM 2041 CG PRO A 152 40.935 60.681 20.466 1.00 18.51 C ANISOU 2041 CG PRO A 152 2165 3112 1755 -461 -159 -607 C ATOM 2042 CD PRO A 152 40.183 59.845 21.487 1.00 17.53 C ANISOU 2042 CD PRO A 152 1945 3077 1639 -433 -322 -596 C ATOM 0 HA PRO A 152 42.102 61.785 23.260 1.00 19.71 H new ATOM 0 HB2 PRO A 152 42.568 61.930 20.784 1.00 19.22 H new ATOM 0 HB3 PRO A 152 42.797 60.506 21.377 1.00 19.22 H new ATOM 0 HG2 PRO A 152 40.389 61.408 20.128 1.00 18.51 H new ATOM 0 HG3 PRO A 152 41.206 60.151 19.700 1.00 18.51 H new ATOM 0 HD2 PRO A 152 39.229 59.834 21.314 1.00 17.53 H new ATOM 0 HD3 PRO A 152 40.481 58.922 21.490 1.00 17.53 H new ATOM 2050 N ASP A 153 41.338 64.024 22.807 1.00 19.97 N ANISOU 2050 N ASP A 153 2543 3169 1877 -274 -54 -466 N ATOM 2051 CA ASP A 153 40.685 65.308 22.519 1.00 21.75 C ANISOU 2051 CA ASP A 153 2818 3160 2286 -221 229 -335 C ATOM 2052 C ASP A 153 40.986 65.745 21.079 1.00 20.93 C ANISOU 2052 C ASP A 153 2667 3004 2284 88 358 -356 C ATOM 2053 O ASP A 153 40.133 66.483 20.570 1.00 17.57 O ANISOU 2053 O ASP A 153 2192 2410 2075 -374 262 -704 O ATOM 2054 CB ASP A 153 41.053 66.436 23.476 1.00 26.00 C ANISOU 2054 CB ASP A 153 3890 3420 2567 70 113 -788 C ATOM 2055 CG ASP A 153 40.431 66.226 24.853 1.00 29.37 C ANISOU 2055 CG ASP A 153 4068 4415 2679 217 363 -825 C ATOM 2056 OD1 ASP A 153 41.254 65.982 25.761 1.00 35.82 O ANISOU 2056 OD1 ASP A 153 5230 5430 2950 235 -70 129 O ATOM 2057 OD2 ASP A 153 39.194 66.287 24.998 1.00 37.95 O ANISOU 2057 OD2 ASP A 153 4186 5745 4486 226 1014 -233 O ATOM 0 H ASP A 153 42.086 64.056 23.231 1.00 19.97 H new ATOM 0 HA ASP A 153 39.737 65.146 22.642 1.00 21.75 H new ATOM 0 HB2 ASP A 153 42.018 66.489 23.560 1.00 26.00 H new ATOM 0 HB3 ASP A 153 40.754 67.283 23.110 1.00 26.00 H new ATOM 2062 N VAL A 154 42.109 65.266 20.502 1.00 17.78 N ANISOU 2062 N VAL A 154 2238 2860 1659 -262 -353 1170 N ATOM 2063 CA VAL A 154 42.501 65.624 19.143 1.00 16.00 C ANISOU 2063 CA VAL A 154 1732 2613 1733 -268 -339 1064 C ATOM 2064 C VAL A 154 42.044 64.584 18.129 1.00 12.40 C ANISOU 2064 C VAL A 154 1169 2181 1360 -85 -34 -768 C ATOM 2065 O VAL A 154 42.326 63.400 18.333 1.00 12.75 O ANISOU 2065 O VAL A 154 1036 2319 1490 -42 -185 -623 O ATOM 2066 CB VAL A 154 44.022 65.807 19.055 1.00 18.31 C ANISOU 2066 CB VAL A 154 1815 3044 2100 -509 -467 1241 C ATOM 2067 CG1 VAL A 154 44.468 66.117 17.640 1.00 20.49 C ANISOU 2067 CG1 VAL A 154 2268 2953 2563 -910 102 -948 C ATOM 2068 CG2 VAL A 154 44.461 66.941 19.978 1.00 19.89 C ANISOU 2068 CG2 VAL A 154 1943 2671 2942 -487 -202 1455 C ATOM 0 H VAL A 154 42.654 64.729 20.894 1.00 17.78 H new ATOM 0 HA VAL A 154 42.063 66.462 18.927 1.00 16.00 H new ATOM 0 HB VAL A 154 44.434 64.973 19.329 1.00 18.31 H new ATOM 0 HG11 VAL A 154 45.432 66.226 17.621 1.00 20.49 H new ATOM 0 HG12 VAL A 154 44.214 65.388 17.053 1.00 20.49 H new ATOM 0 HG13 VAL A 154 44.044 66.936 17.339 1.00 20.49 H new ATOM 0 HG21 VAL A 154 45.423 67.053 19.919 1.00 19.89 H new ATOM 0 HG22 VAL A 154 44.023 67.764 19.710 1.00 19.89 H new ATOM 0 HG23 VAL A 154 44.216 66.728 20.892 1.00 19.89 H new ATOM 2078 N LEU A 155 41.368 65.050 17.093 1.00 10.88 N ANISOU 2078 N LEU A 155 937 1784 1413 -149 2 804 N ATOM 2079 CA LEU A 155 40.899 64.245 15.979 1.00 10.90 C ANISOU 2079 CA LEU A 155 957 2008 1177 -93 137 830 C ATOM 2080 C LEU A 155 42.032 63.351 15.495 1.00 10.44 C ANISOU 2080 C LEU A 155 705 1954 1309 -257 101 824 C ATOM 2081 O LEU A 155 43.143 63.840 15.284 1.00 11.24 O ANISOU 2081 O LEU A 155 829 2053 1388 -408 261 643 O ATOM 2082 CB LEU A 155 40.430 65.143 14.836 1.00 11.45 C ANISOU 2082 CB LEU A 155 1089 2010 1251 -102 106 -804 C ATOM 2083 CG LEU A 155 39.860 64.423 13.611 1.00 10.05 C ANISOU 2083 CG LEU A 155 879 1841 1100 -183 180 637 C ATOM 2084 CD1 LEU A 155 38.637 63.591 13.994 1.00 10.14 C ANISOU 2084 CD1 LEU A 155 976 1743 1134 -106 260 585 C ATOM 2085 CD2 LEU A 155 39.539 65.453 12.539 1.00 10.68 C ANISOU 2085 CD2 LEU A 155 828 1968 1261 -177 205 459 C ATOM 0 H LEU A 155 41.160 65.881 17.016 1.00 10.88 H new ATOM 0 HA LEU A 155 40.152 63.700 16.273 1.00 10.90 H new ATOM 0 HB2 LEU A 155 39.753 65.747 15.179 1.00 11.45 H new ATOM 0 HB3 LEU A 155 41.178 65.690 14.549 1.00 11.45 H new ATOM 0 HG LEU A 155 40.517 63.804 13.256 1.00 10.05 H new ATOM 0 HD11 LEU A 155 38.290 63.143 13.206 1.00 10.14 H new ATOM 0 HD12 LEU A 155 38.890 62.929 14.657 1.00 10.14 H new ATOM 0 HD13 LEU A 155 37.953 64.172 14.362 1.00 10.14 H new ATOM 0 HD21 LEU A 155 39.177 65.006 11.758 1.00 10.68 H new ATOM 0 HD22 LEU A 155 38.887 66.084 12.881 1.00 10.68 H new ATOM 0 HD23 LEU A 155 40.349 65.927 12.293 1.00 10.68 H new ATOM 2097 N GLN A 156 41.763 62.069 15.313 1.00 9.92 N ANISOU 2097 N GLN A 156 604 1966 1198 -285 77 867 N ATOM 2098 CA GLN A 156 42.708 61.124 14.803 1.00 9.79 C ANISOU 2098 CA GLN A 156 737 1925 1058 -198 37 730 C ATOM 2099 C GLN A 156 42.388 60.672 13.409 1.00 9.07 C ANISOU 2099 C GLN A 156 533 2032 882 -266 179 528 C ATOM 2100 O GLN A 156 41.229 60.651 12.997 1.00 9.68 O ANISOU 2100 O GLN A 156 601 2089 987 -294 50 560 O ATOM 2101 CB GLN A 156 42.715 59.867 15.694 1.00 10.40 C ANISOU 2101 CB GLN A 156 859 2146 947 -164 57 538 C ATOM 2102 CG GLN A 156 43.085 60.133 17.142 1.00 11.86 C ANISOU 2102 CG GLN A 156 1123 2320 1065 1 -27 -637 C ATOM 2103 CD GLN A 156 44.561 60.509 17.267 1.00 12.87 C ANISOU 2103 CD GLN A 156 1223 2242 1424 66 -364 -709 C ATOM 2104 OE1 GLN A 156 45.414 59.667 17.063 1.00 14.48 O ANISOU 2104 OE1 GLN A 156 1101 2426 1974 55 -122 -742 O ATOM 2105 NE2 GLN A 156 44.796 61.768 17.629 1.00 14.83 N ANISOU 2105 NE2 GLN A 156 1819 2178 1637 -117 -618 -686 N ATOM 0 H GLN A 156 40.996 61.723 15.492 1.00 9.92 H new ATOM 0 HA GLN A 156 43.567 61.575 14.798 1.00 9.79 H new ATOM 0 HB2 GLN A 156 41.836 59.458 15.665 1.00 10.40 H new ATOM 0 HB3 GLN A 156 43.340 59.224 15.324 1.00 10.40 H new ATOM 0 HG2 GLN A 156 42.534 60.849 17.494 1.00 11.86 H new ATOM 0 HG3 GLN A 156 42.902 59.345 17.677 1.00 11.86 H new ATOM 0 HE21 GLN A 156 44.139 62.309 17.756 1.00 14.83 H new ATOM 0 HE22 GLN A 156 45.605 62.041 17.736 1.00 14.83 H new ATOM 2114 N LYS A 157 43.431 60.318 12.664 1.00 9.48 N ANISOU 2114 N LYS A 157 611 2019 972 -140 104 648 N ATOM 2115 CA LYS A 157 43.367 59.718 11.364 1.00 9.37 C ANISOU 2115 CA LYS A 157 827 1851 883 -52 25 537 C ATOM 2116 C LYS A 157 44.140 58.405 11.330 1.00 9.43 C ANISOU 2116 C LYS A 157 935 1747 900 -115 -91 466 C ATOM 2117 O LYS A 157 45.211 58.282 11.956 1.00 11.11 O ANISOU 2117 O LYS A 157 811 2221 1188 137 -87 612 O ATOM 2118 CB LYS A 157 43.900 60.665 10.270 1.00 10.48 C ANISOU 2118 CB LYS A 157 1035 1813 1135 -109 146 -404 C ATOM 2119 CG LYS A 157 45.296 61.211 10.445 1.00 13.40 C ANISOU 2119 CG LYS A 157 1193 2299 1601 -430 151 -376 C ATOM 2120 CD LYS A 157 45.894 62.002 9.321 1.00 13.18 C ANISOU 2120 CD LYS A 157 1150 2076 1783 -403 85 -301 C ATOM 2121 CE LYS A 157 47.401 62.207 9.482 1.00 14.98 C ANISOU 2121 CE LYS A 157 1329 2488 1876 -866 -94 -56 C ATOM 2122 NZ LYS A 157 47.910 62.987 8.334 1.00 16.31 N ANISOU 2122 NZ LYS A 157 1473 2927 1797 -464 352 -11 N ATOM 0 H LYS A 157 44.240 60.434 12.932 1.00 9.48 H new ATOM 0 HA LYS A 157 42.431 59.539 11.181 1.00 9.37 H new ATOM 0 HB2 LYS A 157 43.866 60.194 9.423 1.00 10.48 H new ATOM 0 HB3 LYS A 157 43.291 61.416 10.201 1.00 10.48 H new ATOM 0 HG2 LYS A 157 45.297 61.773 11.236 1.00 13.40 H new ATOM 0 HG3 LYS A 157 45.886 60.463 10.627 1.00 13.40 H new ATOM 0 HD2 LYS A 157 45.721 61.547 8.482 1.00 13.18 H new ATOM 0 HD3 LYS A 157 45.457 62.867 9.270 1.00 13.18 H new ATOM 0 HE2 LYS A 157 47.588 62.673 10.312 1.00 14.98 H new ATOM 0 HE3 LYS A 157 47.852 61.349 9.530 1.00 14.98 H new ATOM 0 HZ1 LYS A 157 48.670 63.390 8.562 1.00 16.31 H new ATOM 0 HZ2 LYS A 157 48.059 62.441 7.647 1.00 16.31 H new ATOM 0 HZ3 LYS A 157 47.308 63.600 8.101 1.00 16.31 H new ATOM 2136 N VAL A 158 43.691 57.454 10.545 1.00 9.26 N ANISOU 2136 N VAL A 158 846 1795 879 -71 132 516 N ATOM 2137 CA VAL A 158 44.426 56.239 10.270 1.00 8.90 C ANISOU 2137 CA VAL A 158 721 1722 938 -140 70 458 C ATOM 2138 C VAL A 158 44.236 55.798 8.836 1.00 8.24 C ANISOU 2138 C VAL A 158 697 1571 863 -33 160 413 C ATOM 2139 O VAL A 158 43.125 55.971 8.279 1.00 9.41 O ANISOU 2139 O VAL A 158 678 1835 1064 -73 50 514 O ATOM 2140 CB VAL A 158 44.018 55.115 11.251 1.00 9.73 C ANISOU 2140 CB VAL A 158 891 1961 845 -40 41 309 C ATOM 2141 CG1 VAL A 158 42.598 54.602 10.998 1.00 10.70 C ANISOU 2141 CG1 VAL A 158 940 2128 998 -266 176 72 C ATOM 2142 CG2 VAL A 158 45.031 53.987 11.204 1.00 11.65 C ANISOU 2142 CG2 VAL A 158 1211 2163 1055 199 -60 -123 C ATOM 0 H VAL A 158 42.931 57.495 10.145 1.00 9.26 H new ATOM 0 HA VAL A 158 45.369 56.426 10.400 1.00 8.90 H new ATOM 0 HB VAL A 158 44.014 55.494 12.144 1.00 9.73 H new ATOM 0 HG11 VAL A 158 42.389 53.901 11.635 1.00 10.70 H new ATOM 0 HG12 VAL A 158 41.967 55.331 11.101 1.00 10.70 H new ATOM 0 HG13 VAL A 158 42.537 54.248 10.097 1.00 10.70 H new ATOM 0 HG21 VAL A 158 44.766 53.288 11.822 1.00 11.65 H new ATOM 0 HG22 VAL A 158 45.071 53.625 10.305 1.00 11.65 H new ATOM 0 HG23 VAL A 158 45.905 54.326 11.455 1.00 11.65 H new ATOM 2152 N THR A 159 45.276 55.296 8.249 1.00 8.76 N ANISOU 2152 N THR A 159 680 1612 1036 -78 153 463 N ATOM 2153 CA THR A 159 45.236 54.705 6.901 1.00 9.54 C ANISOU 2153 CA THR A 159 809 1673 1144 -140 228 678 C ATOM 2154 C THR A 159 45.126 53.198 7.039 1.00 8.88 C ANISOU 2154 C THR A 159 763 1691 917 -75 -82 510 C ATOM 2155 O THR A 159 45.857 52.583 7.805 1.00 10.00 O ANISOU 2155 O THR A 159 756 2035 1010 -223 -249 442 O ATOM 2156 CB THR A 159 46.496 55.135 6.119 1.00 10.52 C ANISOU 2156 CB THR A 159 796 1868 1334 -189 401 766 C ATOM 2157 OG1 THR A 159 46.504 56.561 6.027 1.00 13.69 O ANISOU 2157 OG1 THR A 159 1845 1974 1384 -431 487 -461 O ATOM 2158 CG2 THR A 159 46.471 54.577 4.704 1.00 11.33 C ANISOU 2158 CG2 THR A 159 978 2065 1264 67 322 565 C ATOM 0 H THR A 159 46.056 55.277 8.611 1.00 8.76 H new ATOM 0 HA THR A 159 44.466 55.018 6.401 1.00 9.54 H new ATOM 0 HB THR A 159 47.280 54.801 6.582 1.00 10.52 H new ATOM 0 HG1 THR A 159 46.611 56.790 5.226 1.00 13.69 H new ATOM 0 HG21 THR A 159 47.270 54.858 4.231 1.00 11.33 H new ATOM 0 HG22 THR A 159 46.440 53.608 4.739 1.00 11.33 H new ATOM 0 HG23 THR A 159 45.687 54.908 4.239 1.00 11.33 H new ATOM 2165 N VAL A 160 44.190 52.629 6.264 1.00 8.69 N ANISOU 2165 N VAL A 160 773 1647 882 -105 -165 360 N ATOM 2166 CA VAL A 160 43.998 51.202 6.289 1.00 8.19 C ANISOU 2166 CA VAL A 160 567 1633 910 -45 -94 445 C ATOM 2167 C VAL A 160 43.652 50.773 4.851 1.00 7.62 C ANISOU 2167 C VAL A 160 425 1599 870 -87 49 345 C ATOM 2168 O VAL A 160 43.097 51.568 4.072 1.00 8.42 O ANISOU 2168 O VAL A 160 771 1556 871 44 -52 396 O ATOM 2169 CB VAL A 160 42.863 50.731 7.235 1.00 9.05 C ANISOU 2169 CB VAL A 160 841 1759 838 -89 -14 352 C ATOM 2170 CG1 VAL A 160 43.297 50.681 8.695 1.00 12.38 C ANISOU 2170 CG1 VAL A 160 1267 2472 967 -57 -124 -117 C ATOM 2171 CG2 VAL A 160 41.597 51.591 7.102 1.00 9.80 C ANISOU 2171 CG2 VAL A 160 737 2023 963 -50 172 254 C ATOM 0 H VAL A 160 43.670 53.058 5.729 1.00 8.69 H new ATOM 0 HA VAL A 160 44.813 50.798 6.627 1.00 8.19 H new ATOM 0 HB VAL A 160 42.654 49.828 6.951 1.00 9.05 H new ATOM 0 HG11 VAL A 160 42.555 50.382 9.243 1.00 12.38 H new ATOM 0 HG12 VAL A 160 44.039 50.064 8.791 1.00 12.38 H new ATOM 0 HG13 VAL A 160 43.574 51.566 8.981 1.00 12.38 H new ATOM 0 HG21 VAL A 160 40.916 51.261 7.710 1.00 9.80 H new ATOM 0 HG22 VAL A 160 41.807 52.512 7.321 1.00 9.80 H new ATOM 0 HG23 VAL A 160 41.267 51.543 6.191 1.00 9.80 H new ATOM 2181 N PRO A 161 43.975 49.529 4.521 1.00 8.01 N ANISOU 2181 N PRO A 161 626 1601 818 -5 -34 313 N ATOM 2182 CA PRO A 161 43.539 48.977 3.247 1.00 6.93 C ANISOU 2182 CA PRO A 161 494 1472 667 -48 69 217 C ATOM 2183 C PRO A 161 42.112 48.433 3.356 1.00 8.17 C ANISOU 2183 C PRO A 161 539 1824 743 -48 53 316 C ATOM 2184 O PRO A 161 41.651 48.020 4.396 1.00 8.75 O ANISOU 2184 O PRO A 161 519 2100 706 -184 61 177 O ATOM 2185 CB PRO A 161 44.538 47.855 3.041 1.00 8.14 C ANISOU 2185 CB PRO A 161 594 1543 957 23 -129 300 C ATOM 2186 CG PRO A 161 44.772 47.321 4.430 1.00 8.82 C ANISOU 2186 CG PRO A 161 727 1509 1113 -16 -2 1 C ATOM 2187 CD PRO A 161 44.782 48.572 5.299 1.00 8.98 C ANISOU 2187 CD PRO A 161 726 1752 933 18 -158 176 C ATOM 0 HA PRO A 161 43.515 49.619 2.520 1.00 6.93 H new ATOM 0 HB2 PRO A 161 44.187 47.170 2.451 1.00 8.14 H new ATOM 0 HB3 PRO A 161 45.360 48.179 2.641 1.00 8.14 H new ATOM 0 HG2 PRO A 161 44.071 46.706 4.698 1.00 8.82 H new ATOM 0 HG3 PRO A 161 45.611 46.838 4.490 1.00 8.82 H new ATOM 0 HD2 PRO A 161 44.395 48.404 6.173 1.00 8.98 H new ATOM 0 HD3 PRO A 161 45.683 48.899 5.446 1.00 8.98 H new ATOM 2195 N LEU A 162 41.447 48.387 2.206 1.00 7.73 N ANISOU 2195 N LEU A 162 435 1734 767 -130 -7 -10 N ATOM 2196 CA LEU A 162 40.165 47.705 2.111 1.00 7.58 C ANISOU 2196 CA LEU A 162 512 1594 775 -57 25 223 C ATOM 2197 C LEU A 162 40.386 46.205 2.034 1.00 7.06 C ANISOU 2197 C LEU A 162 483 1604 594 -101 40 341 C ATOM 2198 O LEU A 162 41.398 45.748 1.500 1.00 8.78 O ANISOU 2198 O LEU A 162 615 1729 993 178 252 88 O ATOM 2199 CB LEU A 162 39.423 48.228 0.875 1.00 8.39 C ANISOU 2199 CB LEU A 162 670 1786 733 -11 -101 312 C ATOM 2200 CG LEU A 162 39.155 49.740 0.921 1.00 8.53 C ANISOU 2200 CG LEU A 162 590 1700 950 -143 -114 -89 C ATOM 2201 CD1 LEU A 162 38.650 50.273 -0.398 1.00 14.37 C ANISOU 2201 CD1 LEU A 162 1309 2741 1410 193 -190 594 C ATOM 2202 CD2 LEU A 162 38.213 50.071 2.039 1.00 10.83 C ANISOU 2202 CD2 LEU A 162 1162 1534 1418 -130 353 -267 C ATOM 0 H LEU A 162 41.721 48.743 1.473 1.00 7.73 H new ATOM 0 HA LEU A 162 39.626 47.882 2.898 1.00 7.58 H new ATOM 0 HB2 LEU A 162 39.943 48.022 0.082 1.00 8.39 H new ATOM 0 HB3 LEU A 162 38.578 47.759 0.790 1.00 8.39 H new ATOM 0 HG LEU A 162 40.002 50.181 1.091 1.00 8.53 H new ATOM 0 HD11 LEU A 162 38.495 51.228 -0.323 1.00 14.37 H new ATOM 0 HD12 LEU A 162 39.310 50.106 -1.089 1.00 14.37 H new ATOM 0 HD13 LEU A 162 37.820 49.828 -0.631 1.00 14.37 H new ATOM 0 HD21 LEU A 162 38.054 51.028 2.056 1.00 10.83 H new ATOM 0 HD22 LEU A 162 37.373 49.606 1.903 1.00 10.83 H new ATOM 0 HD23 LEU A 162 38.602 49.794 2.883 1.00 10.83 H new ATOM 2214 N VAL A 163 39.446 45.446 2.557 1.00 7.61 N ANISOU 2214 N VAL A 163 548 1486 857 -20 132 206 N ATOM 2215 CA VAL A 163 39.438 43.994 2.581 1.00 7.58 C ANISOU 2215 CA VAL A 163 544 1500 837 29 78 -98 C ATOM 2216 C VAL A 163 38.236 43.555 1.801 1.00 7.49 C ANISOU 2216 C VAL A 163 617 1445 784 35 53 125 C ATOM 2217 O VAL A 163 37.125 43.984 2.114 1.00 9.00 O ANISOU 2217 O VAL A 163 581 1559 1281 14 52 348 O ATOM 2218 CB VAL A 163 39.381 43.452 4.026 1.00 7.61 C ANISOU 2218 CB VAL A 163 624 1550 718 -120 120 251 C ATOM 2219 CG1 VAL A 163 39.246 41.946 4.015 1.00 9.11 C ANISOU 2219 CG1 VAL A 163 921 1485 1055 -30 68 10 C ATOM 2220 CG2 VAL A 163 40.651 43.947 4.755 1.00 9.93 C ANISOU 2220 CG2 VAL A 163 867 2023 883 -267 -109 116 C ATOM 0 H VAL A 163 38.750 45.783 2.932 1.00 7.61 H new ATOM 0 HA VAL A 163 40.255 43.645 2.190 1.00 7.58 H new ATOM 0 HB VAL A 163 38.603 43.781 4.503 1.00 7.61 H new ATOM 0 HG11 VAL A 163 39.211 41.617 4.927 1.00 9.11 H new ATOM 0 HG12 VAL A 163 38.431 41.697 3.551 1.00 9.11 H new ATOM 0 HG13 VAL A 163 40.009 41.556 3.560 1.00 9.11 H new ATOM 0 HG21 VAL A 163 40.647 43.623 5.669 1.00 9.93 H new ATOM 0 HG22 VAL A 163 41.438 43.612 4.297 1.00 9.93 H new ATOM 0 HG23 VAL A 163 40.666 44.917 4.756 1.00 9.93 H new ATOM 2230 N SER A 164 38.344 42.693 0.818 1.00 7.73 N ANISOU 2230 N SER A 164 511 1582 843 -177 220 190 N ATOM 2231 CA SER A 164 37.195 42.266 -0.003 1.00 7.40 C ANISOU 2231 CA SER A 164 579 1356 876 -93 104 -66 C ATOM 2232 C SER A 164 36.124 41.654 0.901 1.00 6.71 C ANISOU 2232 C SER A 164 579 1245 724 -129 74 221 C ATOM 2233 O SER A 164 36.356 41.074 1.966 1.00 7.82 O ANISOU 2233 O SER A 164 840 1575 556 -17 145 139 O ATOM 2234 CB SER A 164 37.577 41.258 -1.093 1.00 8.34 C ANISOU 2234 CB SER A 164 853 1625 691 -51 199 -55 C ATOM 2235 OG SER A 164 37.710 39.951 -0.551 1.00 8.92 O ANISOU 2235 OG SER A 164 920 1452 1016 3 310 220 O ATOM 0 H SER A 164 39.088 42.325 0.592 1.00 7.73 H new ATOM 0 HA SER A 164 36.858 43.057 -0.452 1.00 7.40 H new ATOM 0 HB2 SER A 164 36.901 41.256 -1.789 1.00 8.34 H new ATOM 0 HB3 SER A 164 38.411 41.526 -1.509 1.00 8.34 H new ATOM 0 HG SER A 164 38.520 39.727 -0.555 1.00 8.92 H new ATOM 2240 N ASP A 165 34.885 41.759 0.387 1.00 7.26 N ANISOU 2240 N ASP A 165 541 1453 764 1 162 117 N ATOM 2241 CA ASP A 165 33.768 41.161 1.100 1.00 7.16 C ANISOU 2241 CA ASP A 165 543 1338 839 -14 137 152 C ATOM 2242 C ASP A 165 34.002 39.684 1.314 1.00 7.36 C ANISOU 2242 C ASP A 165 705 1304 790 -58 87 154 C ATOM 2243 O ASP A 165 33.727 39.156 2.397 1.00 8.32 O ANISOU 2243 O ASP A 165 759 1524 877 -52 112 75 O ATOM 2244 CB ASP A 165 32.454 41.389 0.354 1.00 8.20 C ANISOU 2244 CB ASP A 165 473 1665 978 72 120 157 C ATOM 2245 CG ASP A 165 32.048 42.833 0.282 1.00 8.89 C ANISOU 2245 CG ASP A 165 609 1686 1083 178 114 161 C ATOM 2246 OD1 ASP A 165 32.513 43.689 1.037 1.00 11.10 O ANISOU 2246 OD1 ASP A 165 1062 1847 1307 290 30 -544 O ATOM 2247 OD2 ASP A 165 31.135 43.219 -0.506 1.00 9.76 O ANISOU 2247 OD2 ASP A 165 656 1804 1249 93 47 113 O ATOM 0 H ASP A 165 34.685 42.159 -0.347 1.00 7.26 H new ATOM 0 HA ASP A 165 33.702 41.593 1.966 1.00 7.16 H new ATOM 0 HB2 ASP A 165 32.537 41.039 -0.547 1.00 8.20 H new ATOM 0 HB3 ASP A 165 31.750 40.884 0.791 1.00 8.20 H new ATOM 2252 N GLU A 166 34.507 38.965 0.308 1.00 8.23 N ANISOU 2252 N GLU A 166 784 1384 957 -6 114 221 N ATOM 2253 CA GLU A 166 34.706 37.529 0.463 1.00 8.55 C ANISOU 2253 CA GLU A 166 575 1404 1270 77 67 280 C ATOM 2254 C GLU A 166 35.771 37.202 1.513 1.00 7.96 C ANISOU 2254 C GLU A 166 605 1393 1025 62 231 218 C ATOM 2255 O GLU A 166 35.631 36.245 2.305 1.00 10.26 O ANISOU 2255 O GLU A 166 893 1694 1310 -159 97 73 O ATOM 2256 CB GLU A 166 35.052 36.909 -0.910 1.00 10.28 C ANISOU 2256 CB GLU A 166 1223 1510 1175 186 9 -315 C ATOM 2257 CG GLU A 166 33.880 36.803 -1.867 1.00 11.31 C ANISOU 2257 CG GLU A 166 1281 1581 1434 40 -78 -508 C ATOM 2258 CD GLU A 166 32.950 35.699 -1.377 1.00 13.01 C ANISOU 2258 CD GLU A 166 1289 1879 1775 -9 279 -474 C ATOM 2259 OE1 GLU A 166 33.156 34.508 -1.727 1.00 13.26 O ANISOU 2259 OE1 GLU A 166 1497 1699 1841 14 439 -271 O ATOM 2260 OE2 GLU A 166 31.954 36.005 -0.691 1.00 15.02 O ANISOU 2260 OE2 GLU A 166 1550 2228 1930 18 487 -723 O ATOM 0 H GLU A 166 34.736 39.285 -0.457 1.00 8.23 H new ATOM 0 HA GLU A 166 33.880 37.138 0.789 1.00 8.55 H new ATOM 0 HB2 GLU A 166 35.747 37.442 -1.326 1.00 10.28 H new ATOM 0 HB3 GLU A 166 35.420 36.023 -0.768 1.00 10.28 H new ATOM 0 HG2 GLU A 166 33.405 37.648 -1.913 1.00 11.31 H new ATOM 0 HG3 GLU A 166 34.194 36.605 -2.763 1.00 11.31 H new ATOM 2267 N ASP A 167 36.872 37.946 1.522 1.00 8.21 N ANISOU 2267 N ASP A 167 762 1420 937 -70 46 128 N ATOM 2268 CA ASP A 167 37.886 37.746 2.537 1.00 8.72 C ANISOU 2268 CA ASP A 167 742 1591 978 54 120 79 C ATOM 2269 C ASP A 167 37.315 38.086 3.916 1.00 8.88 C ANISOU 2269 C ASP A 167 823 1698 855 2 17 -7 C ATOM 2270 O ASP A 167 37.558 37.361 4.880 1.00 10.36 O ANISOU 2270 O ASP A 167 1079 1886 972 206 145 173 O ATOM 2271 CB ASP A 167 39.153 38.551 2.205 1.00 7.88 C ANISOU 2271 CB ASP A 167 676 1496 823 34 9 46 C ATOM 2272 CG ASP A 167 39.905 38.002 0.995 1.00 9.39 C ANISOU 2272 CG ASP A 167 868 1762 937 44 142 148 C ATOM 2273 OD1 ASP A 167 40.546 36.942 1.083 1.00 10.45 O ANISOU 2273 OD1 ASP A 167 1082 1668 1222 13 434 -12 O ATOM 2274 OD2 ASP A 167 39.880 38.652 -0.066 1.00 9.38 O ANISOU 2274 OD2 ASP A 167 844 1869 851 168 42 198 O ATOM 0 H ASP A 167 37.046 38.566 0.952 1.00 8.21 H new ATOM 0 HA ASP A 167 38.149 36.812 2.554 1.00 8.72 H new ATOM 0 HB2 ASP A 167 38.909 39.475 2.037 1.00 7.88 H new ATOM 0 HB3 ASP A 167 39.743 38.549 2.975 1.00 7.88 H new ATOM 2279 N CYS A 168 36.544 39.169 4.017 1.00 8.76 N ANISOU 2279 N CYS A 168 722 1741 867 29 57 75 N ATOM 2280 CA CYS A 168 35.949 39.560 5.302 1.00 9.28 C ANISOU 2280 CA CYS A 168 871 1742 913 -196 150 -99 C ATOM 2281 C CYS A 168 34.960 38.557 5.851 1.00 8.48 C ANISOU 2281 C CYS A 168 844 1537 841 -26 74 -21 C ATOM 2282 O CYS A 168 34.822 38.349 7.059 1.00 9.81 O ANISOU 2282 O CYS A 168 1204 1733 790 -170 161 -51 O ATOM 2283 CB CYS A 168 35.294 40.964 5.081 1.00 9.93 C ANISOU 2283 CB CYS A 168 1172 1594 1008 -307 271 -152 C ATOM 2284 SG CYS A 168 35.005 41.827 6.627 1.00 11.87 S ANISOU 2284 SG CYS A 168 1310 1990 1211 -207 477 -325 S ATOM 0 H CYS A 168 36.353 39.689 3.360 1.00 8.76 H new ATOM 0 HA CYS A 168 36.642 39.594 5.980 1.00 9.28 H new ATOM 0 HB2 CYS A 168 35.869 41.502 4.515 1.00 9.93 H new ATOM 0 HB3 CYS A 168 34.453 40.856 4.610 1.00 9.93 H new ATOM 2289 N ARG A 169 34.248 37.885 4.948 1.00 8.56 N ANISOU 2289 N ARG A 169 995 1503 754 -82 199 -80 N ATOM 2290 CA ARG A 169 33.276 36.851 5.316 1.00 8.64 C ANISOU 2290 CA ARG A 169 979 1321 981 -32 173 141 C ATOM 2291 C ARG A 169 33.926 35.651 5.962 1.00 9.12 C ANISOU 2291 C ARG A 169 991 1518 956 -44 226 44 C ATOM 2292 O ARG A 169 33.268 34.981 6.775 1.00 10.94 O ANISOU 2292 O ARG A 169 1075 1800 1282 -159 220 240 O ATOM 2293 CB ARG A 169 32.496 36.393 4.070 1.00 8.97 C ANISOU 2293 CB ARG A 169 1087 1402 919 6 173 -113 C ATOM 2294 CG ARG A 169 31.458 37.449 3.669 1.00 9.64 C ANISOU 2294 CG ARG A 169 1152 1619 891 42 254 46 C ATOM 2295 CD ARG A 169 30.837 37.065 2.330 1.00 9.27 C ANISOU 2295 CD ARG A 169 994 1566 962 37 218 -62 C ATOM 2296 NE ARG A 169 29.928 38.177 1.993 1.00 9.94 N ANISOU 2296 NE ARG A 169 1132 1560 1083 61 297 105 N ATOM 2297 CZ ARG A 169 29.749 38.736 0.825 1.00 9.79 C ANISOU 2297 CZ ARG A 169 1364 1245 1112 5 393 12 C ATOM 2298 NH1 ARG A 169 30.411 38.344 -0.264 1.00 10.82 N ANISOU 2298 NH1 ARG A 169 793 2343 975 99 213 -67 N ATOM 2299 NH2 ARG A 169 28.907 39.731 0.736 1.00 10.73 N ANISOU 2299 NH2 ARG A 169 1293 1676 1106 223 -180 -231 N ATOM 0 H ARG A 169 34.314 38.015 4.101 1.00 8.56 H new ATOM 0 HA ARG A 169 32.674 37.248 5.965 1.00 8.64 H new ATOM 0 HB2 ARG A 169 33.110 36.240 3.335 1.00 8.97 H new ATOM 0 HB3 ARG A 169 32.054 35.549 4.251 1.00 8.97 H new ATOM 0 HG2 ARG A 169 30.770 37.515 4.349 1.00 9.64 H new ATOM 0 HG3 ARG A 169 31.877 38.321 3.604 1.00 9.64 H new ATOM 0 HD2 ARG A 169 31.517 36.950 1.648 1.00 9.27 H new ATOM 0 HD3 ARG A 169 30.355 36.226 2.395 1.00 9.27 H new ATOM 0 HE ARG A 169 29.461 38.495 2.641 1.00 9.94 H new ATOM 0 HH11 ARG A 169 30.980 37.701 -0.213 1.00 10.82 H new ATOM 0 HH12 ARG A 169 30.269 38.734 -1.017 1.00 10.82 H new ATOM 0 HH21 ARG A 169 28.487 40.003 1.435 1.00 10.73 H new ATOM 0 HH22 ARG A 169 28.773 40.114 -0.022 1.00 10.73 H new ATOM 2313 N ALA A 170 35.206 35.385 5.679 1.00 10.41 N ANISOU 2313 N ALA A 170 1045 1547 1365 123 234 88 N ATOM 2314 CA ALA A 170 35.881 34.322 6.452 1.00 12.18 C ANISOU 2314 CA ALA A 170 1250 1635 1743 188 -17 44 C ATOM 2315 C ALA A 170 35.968 34.704 7.922 1.00 12.17 C ANISOU 2315 C ALA A 170 1232 1684 1710 88 -304 160 C ATOM 2316 O ALA A 170 36.017 33.813 8.767 1.00 16.12 O ANISOU 2316 O ALA A 170 2166 1952 2006 49 -509 403 O ATOM 2317 CB ALA A 170 37.250 34.020 5.898 1.00 14.90 C ANISOU 2317 CB ALA A 170 1297 2087 2280 463 64 72 C ATOM 0 H ALA A 170 35.682 35.779 5.081 1.00 10.41 H new ATOM 0 HA ALA A 170 35.348 33.515 6.373 1.00 12.18 H new ATOM 0 HB1 ALA A 170 37.666 33.320 6.426 1.00 14.90 H new ATOM 0 HB2 ALA A 170 37.169 33.725 4.977 1.00 14.90 H new ATOM 0 HB3 ALA A 170 37.798 34.820 5.934 1.00 14.90 H new ATOM 2323 N ASP A 171 36.002 35.986 8.276 1.00 11.53 N ANISOU 2323 N ASP A 171 1033 1760 1586 -118 -125 19 N ATOM 2324 CA ASP A 171 36.121 36.396 9.653 1.00 11.63 C ANISOU 2324 CA ASP A 171 1182 1780 1456 140 -189 213 C ATOM 2325 C ASP A 171 34.770 36.438 10.354 1.00 12.23 C ANISOU 2325 C ASP A 171 1231 2001 1415 -45 -116 379 C ATOM 2326 O ASP A 171 34.574 36.055 11.516 1.00 15.22 O ANISOU 2326 O ASP A 171 1714 2547 1520 -27 -42 601 O ATOM 2327 CB ASP A 171 36.780 37.794 9.701 1.00 13.15 C ANISOU 2327 CB ASP A 171 1189 2201 1606 -267 40 -291 C ATOM 2328 CG ASP A 171 38.072 37.815 8.889 1.00 13.72 C ANISOU 2328 CG ASP A 171 1511 2072 1631 -72 286 -103 C ATOM 2329 OD1 ASP A 171 38.781 36.792 8.965 1.00 17.53 O ANISOU 2329 OD1 ASP A 171 1405 2515 2741 256 -113 -441 O ATOM 2330 OD2 ASP A 171 38.286 38.853 8.231 1.00 16.37 O ANISOU 2330 OD2 ASP A 171 1459 2807 1955 -682 -370 506 O ATOM 0 H ASP A 171 35.956 36.638 7.717 1.00 11.53 H new ATOM 0 HA ASP A 171 36.668 35.745 10.120 1.00 11.63 H new ATOM 0 HB2 ASP A 171 36.164 38.458 9.353 1.00 13.15 H new ATOM 0 HB3 ASP A 171 36.968 38.036 10.621 1.00 13.15 H new ATOM 2335 N TYR A 172 33.770 36.944 9.629 1.00 10.95 N ANISOU 2335 N TYR A 172 1002 2047 1112 -2 144 202 N ATOM 2336 CA TYR A 172 32.502 37.318 10.261 1.00 10.42 C ANISOU 2336 CA TYR A 172 1087 1894 978 -97 230 236 C ATOM 2337 C TYR A 172 31.318 36.476 9.853 1.00 10.53 C ANISOU 2337 C TYR A 172 1030 1969 1001 -138 241 200 C ATOM 2338 O TYR A 172 30.293 36.462 10.547 1.00 13.83 O ANISOU 2338 O TYR A 172 1340 2480 1434 -363 622 -62 O ATOM 2339 CB TYR A 172 32.243 38.782 9.971 1.00 10.34 C ANISOU 2339 CB TYR A 172 960 1909 1059 -94 116 85 C ATOM 2340 CG TYR A 172 33.080 39.797 10.695 1.00 9.27 C ANISOU 2340 CG TYR A 172 824 1891 809 14 56 120 C ATOM 2341 CD1 TYR A 172 33.052 39.874 12.085 1.00 9.82 C ANISOU 2341 CD1 TYR A 172 1002 1891 837 -58 161 236 C ATOM 2342 CD2 TYR A 172 33.863 40.695 10.012 1.00 9.03 C ANISOU 2342 CD2 TYR A 172 891 1959 579 -80 -46 102 C ATOM 2343 CE1 TYR A 172 33.798 40.822 12.755 1.00 9.95 C ANISOU 2343 CE1 TYR A 172 1113 1962 704 35 1 193 C ATOM 2344 CE2 TYR A 172 34.597 41.638 10.673 1.00 9.34 C ANISOU 2344 CE2 TYR A 172 939 1912 700 -45 26 40 C ATOM 2345 CZ TYR A 172 34.583 41.676 12.049 1.00 9.29 C ANISOU 2345 CZ TYR A 172 1146 1727 658 6 118 -32 C ATOM 2346 OH TYR A 172 35.319 42.635 12.721 1.00 10.56 O ANISOU 2346 OH TYR A 172 1020 2100 891 3 -19 -168 O ATOM 0 H TYR A 172 33.804 37.077 8.780 1.00 10.95 H new ATOM 0 HA TYR A 172 32.598 37.155 11.212 1.00 10.42 H new ATOM 0 HB2 TYR A 172 32.361 38.923 9.019 1.00 10.34 H new ATOM 0 HB3 TYR A 172 31.312 38.966 10.172 1.00 10.34 H new ATOM 0 HD1 TYR A 172 32.524 39.279 12.568 1.00 9.82 H new ATOM 0 HD2 TYR A 172 33.894 40.660 9.083 1.00 9.03 H new ATOM 0 HE1 TYR A 172 33.763 40.876 13.683 1.00 9.95 H new ATOM 0 HE2 TYR A 172 35.105 42.253 10.195 1.00 9.34 H new ATOM 0 HH TYR A 172 35.619 43.194 12.171 1.00 10.56 H new ATOM 2355 N GLY A 173 31.456 35.699 8.778 1.00 11.33 N ANISOU 2355 N GLY A 173 1179 2046 1078 -297 349 137 N ATOM 2356 CA GLY A 173 30.357 34.911 8.256 1.00 11.36 C ANISOU 2356 CA GLY A 173 1157 1788 1373 -218 241 177 C ATOM 2357 C GLY A 173 29.794 35.454 6.980 1.00 10.51 C ANISOU 2357 C GLY A 173 1031 1717 1245 -167 344 90 C ATOM 2358 O GLY A 173 29.702 36.651 6.774 1.00 10.97 O ANISOU 2358 O GLY A 173 1191 1722 1256 -251 340 46 O ATOM 0 H GLY A 173 32.190 35.619 8.337 1.00 11.33 H new ATOM 0 HA2 GLY A 173 30.661 34.002 8.107 1.00 11.36 H new ATOM 0 HA3 GLY A 173 29.652 34.869 8.921 1.00 11.36 H new ATOM 2362 N ALA A 173A 29.410 34.539 6.091 1.00 11.06 N ANISOU 2362 N ALA A 173A 1260 1605 1336 -135 233 116 N ATOM 2363 CA ALA A 173A 28.935 34.923 4.759 1.00 11.33 C ANISOU 2363 CA ALA A 173A 1299 1634 1374 24 154 52 C ATOM 2364 C ALA A 173A 27.831 35.939 4.746 1.00 11.61 C ANISOU 2364 C ALA A 173A 1033 1697 1682 -193 97 74 C ATOM 2365 O ALA A 173A 27.920 36.950 4.050 1.00 14.11 O ANISOU 2365 O ALA A 173A 929 2191 2242 307 281 596 O ATOM 2366 CB ALA A 173A 28.498 33.655 4.003 1.00 13.82 C ANISOU 2366 CB ALA A 173A 1751 1712 1790 106 -396 -21 C ATOM 0 H ALA A 173A 29.416 33.692 6.238 1.00 11.06 H new ATOM 0 HA ALA A 173A 29.681 35.361 4.320 1.00 11.33 H new ATOM 0 HB1 ALA A 173A 28.181 33.898 3.119 1.00 13.82 H new ATOM 0 HB2 ALA A 173A 29.252 33.051 3.921 1.00 13.82 H new ATOM 0 HB3 ALA A 173A 27.784 33.216 4.492 1.00 13.82 H new ATOM 2372 N ASP A 174 26.756 35.666 5.497 1.00 12.69 N ANISOU 2372 N ASP A 174 1096 1974 1750 -188 309 -154 N ATOM 2373 CA ASP A 174 25.577 36.513 5.417 1.00 13.99 C ANISOU 2373 CA ASP A 174 1114 2269 1931 -108 127 -161 C ATOM 2374 C ASP A 174 25.650 37.714 6.334 1.00 12.47 C ANISOU 2374 C ASP A 174 1046 2242 1452 122 163 3 C ATOM 2375 O ASP A 174 24.828 38.621 6.261 1.00 13.97 O ANISOU 2375 O ASP A 174 1265 2511 1531 357 -27 -54 O ATOM 2376 CB ASP A 174 24.293 35.698 5.705 1.00 16.81 C ANISOU 2376 CB ASP A 174 1110 2651 2625 -207 435 -177 C ATOM 2377 CG ASP A 174 24.071 34.629 4.642 1.00 21.57 C ANISOU 2377 CG ASP A 174 1912 2964 3320 -715 200 -540 C ATOM 2378 OD1 ASP A 174 24.467 34.817 3.461 1.00 25.90 O ANISOU 2378 OD1 ASP A 174 3026 3676 3139 -686 333 1047 O ATOM 2379 OD2 ASP A 174 23.491 33.557 4.942 1.00 27.80 O ANISOU 2379 OD2 ASP A 174 2314 3115 5132 -949 900 -834 O ATOM 0 H ASP A 174 26.696 35.007 6.046 1.00 12.69 H new ATOM 0 HA ASP A 174 25.545 36.851 4.508 1.00 13.99 H new ATOM 0 HB2 ASP A 174 24.360 35.281 6.578 1.00 16.81 H new ATOM 0 HB3 ASP A 174 23.528 36.294 5.733 1.00 16.81 H new ATOM 2384 N GLU A 175 26.698 37.753 7.163 1.00 10.85 N ANISOU 2384 N GLU A 175 979 1853 1290 129 297 -18 N ATOM 2385 CA GLU A 175 26.921 38.871 8.090 1.00 9.66 C ANISOU 2385 CA GLU A 175 1133 1543 995 258 303 205 C ATOM 2386 C GLU A 175 27.516 40.092 7.402 1.00 9.31 C ANISOU 2386 C GLU A 175 949 1562 1025 330 306 206 C ATOM 2387 O GLU A 175 27.274 41.216 7.799 1.00 9.21 O ANISOU 2387 O GLU A 175 963 1564 971 -27 373 108 O ATOM 2388 CB GLU A 175 27.863 38.418 9.215 1.00 10.58 C ANISOU 2388 CB GLU A 175 1151 1803 1065 282 222 319 C ATOM 2389 CG GLU A 175 27.899 39.393 10.398 1.00 11.83 C ANISOU 2389 CG GLU A 175 1351 2004 1142 -31 74 164 C ATOM 2390 CD GLU A 175 26.761 39.316 11.389 1.00 11.81 C ANISOU 2390 CD GLU A 175 1444 1712 1333 134 250 80 C ATOM 2391 OE1 GLU A 175 25.888 38.449 11.330 1.00 13.82 O ANISOU 2391 OE1 GLU A 175 1684 2050 1517 -186 207 151 O ATOM 2392 OE2 GLU A 175 26.787 40.177 12.340 1.00 13.69 O ANISOU 2392 OE2 GLU A 175 1918 2016 1267 2 199 -36 O ATOM 0 H GLU A 175 27.296 37.137 7.204 1.00 10.85 H new ATOM 0 HA GLU A 175 26.056 39.129 8.445 1.00 9.66 H new ATOM 0 HB2 GLU A 175 27.584 37.544 9.531 1.00 10.58 H new ATOM 0 HB3 GLU A 175 28.759 38.318 8.858 1.00 10.58 H new ATOM 0 HG2 GLU A 175 28.728 39.250 10.880 1.00 11.83 H new ATOM 0 HG3 GLU A 175 27.929 40.295 10.043 1.00 11.83 H new ATOM 2399 N ILE A 176 28.338 39.828 6.399 1.00 8.47 N ANISOU 2399 N ILE A 176 809 1522 885 99 125 170 N ATOM 2400 CA ILE A 176 28.901 40.880 5.562 1.00 7.54 C ANISOU 2400 CA ILE A 176 726 1382 758 118 50 11 C ATOM 2401 C ILE A 176 28.074 40.957 4.298 1.00 7.14 C ANISOU 2401 C ILE A 176 763 1200 751 37 -37 104 C ATOM 2402 O ILE A 176 28.134 40.059 3.461 1.00 8.61 O ANISOU 2402 O ILE A 176 893 1444 935 173 -49 288 O ATOM 2403 CB ILE A 176 30.376 40.639 5.241 1.00 8.01 C ANISOU 2403 CB ILE A 176 691 1617 734 32 70 157 C ATOM 2404 CG1 ILE A 176 31.211 40.439 6.513 1.00 8.90 C ANISOU 2404 CG1 ILE A 176 805 1656 922 11 -81 -11 C ATOM 2405 CG2 ILE A 176 30.898 41.751 4.357 1.00 10.13 C ANISOU 2405 CG2 ILE A 176 713 1995 1141 252 184 315 C ATOM 2406 CD1 ILE A 176 31.222 41.669 7.385 1.00 11.07 C ANISOU 2406 CD1 ILE A 176 995 2112 1097 35 -224 406 C ATOM 0 H ILE A 176 28.587 39.034 6.182 1.00 8.47 H new ATOM 0 HA ILE A 176 28.869 41.723 6.041 1.00 7.54 H new ATOM 0 HB ILE A 176 30.459 39.809 4.746 1.00 8.01 H new ATOM 0 HG12 ILE A 176 30.856 39.690 7.017 1.00 8.90 H new ATOM 0 HG13 ILE A 176 32.121 40.210 6.268 1.00 8.90 H new ATOM 0 HG21 ILE A 176 31.834 41.593 4.157 1.00 10.13 H new ATOM 0 HG22 ILE A 176 30.390 41.773 3.531 1.00 10.13 H new ATOM 0 HG23 ILE A 176 30.805 42.600 4.816 1.00 10.13 H new ATOM 0 HD11 ILE A 176 31.759 41.501 8.175 1.00 11.07 H new ATOM 0 HD12 ILE A 176 31.600 42.413 6.890 1.00 11.07 H new ATOM 0 HD13 ILE A 176 30.315 41.885 7.651 1.00 11.07 H new ATOM 2418 N LEU A 177 27.302 42.030 4.160 1.00 7.35 N ANISOU 2418 N LEU A 177 622 1469 702 133 30 108 N ATOM 2419 CA LEU A 177 26.545 42.228 2.930 1.00 7.37 C ANISOU 2419 CA LEU A 177 674 1420 708 45 22 11 C ATOM 2420 C LEU A 177 27.398 42.944 1.906 1.00 6.63 C ANISOU 2420 C LEU A 177 508 1341 671 -12 -83 -92 C ATOM 2421 O LEU A 177 28.362 43.600 2.237 1.00 7.64 O ANISOU 2421 O LEU A 177 616 1605 684 -105 -161 190 O ATOM 2422 CB LEU A 177 25.316 43.090 3.274 1.00 8.23 C ANISOU 2422 CB LEU A 177 598 1661 867 68 22 142 C ATOM 2423 CG LEU A 177 24.446 42.551 4.380 1.00 8.88 C ANISOU 2423 CG LEU A 177 579 1821 973 -15 55 117 C ATOM 2424 CD1 LEU A 177 23.230 43.454 4.565 1.00 10.47 C ANISOU 2424 CD1 LEU A 177 869 1905 1203 173 276 101 C ATOM 2425 CD2 LEU A 177 24.016 41.104 4.112 1.00 9.97 C ANISOU 2425 CD2 LEU A 177 813 1805 1170 -58 312 145 C ATOM 0 H LEU A 177 27.204 42.644 4.754 1.00 7.35 H new ATOM 0 HA LEU A 177 26.274 41.374 2.559 1.00 7.37 H new ATOM 0 HB2 LEU A 177 25.620 43.977 3.524 1.00 8.23 H new ATOM 0 HB3 LEU A 177 24.775 43.190 2.475 1.00 8.23 H new ATOM 0 HG LEU A 177 24.966 42.545 5.199 1.00 8.88 H new ATOM 0 HD11 LEU A 177 22.672 43.104 5.277 1.00 10.47 H new ATOM 0 HD12 LEU A 177 23.524 44.349 4.795 1.00 10.47 H new ATOM 0 HD13 LEU A 177 22.720 43.483 3.740 1.00 10.47 H new ATOM 0 HD21 LEU A 177 23.459 40.791 4.842 1.00 9.97 H new ATOM 0 HD22 LEU A 177 23.514 41.064 3.283 1.00 9.97 H new ATOM 0 HD23 LEU A 177 24.802 40.540 4.041 1.00 9.97 H new ATOM 2437 N ASP A 178 27.013 42.808 0.632 1.00 7.02 N ANISOU 2437 N ASP A 178 559 1534 575 -40 39 292 N ATOM 2438 CA ASP A 178 27.774 43.520 -0.389 1.00 6.89 C ANISOU 2438 CA ASP A 178 686 1361 570 -129 -97 275 C ATOM 2439 C ASP A 178 27.817 45.025 -0.141 1.00 6.74 C ANISOU 2439 C ASP A 178 636 1391 535 -42 -19 391 C ATOM 2440 O ASP A 178 28.808 45.658 -0.468 1.00 7.28 O ANISOU 2440 O ASP A 178 583 1519 663 -74 31 166 O ATOM 2441 CB ASP A 178 27.209 43.218 -1.787 1.00 7.03 C ANISOU 2441 CB ASP A 178 752 1389 532 -150 -97 324 C ATOM 2442 CG ASP A 178 27.459 41.855 -2.320 1.00 7.87 C ANISOU 2442 CG ASP A 178 727 1523 739 109 78 427 C ATOM 2443 OD1 ASP A 178 27.840 40.924 -1.567 1.00 9.93 O ANISOU 2443 OD1 ASP A 178 1120 1536 1117 231 -80 -255 O ATOM 2444 OD2 ASP A 178 27.289 41.626 -3.541 1.00 8.46 O ANISOU 2444 OD2 ASP A 178 848 1586 779 -57 51 553 O ATOM 0 H ASP A 178 26.351 42.335 0.352 1.00 7.02 H new ATOM 0 HA ASP A 178 28.688 43.199 -0.339 1.00 6.89 H new ATOM 0 HB2 ASP A 178 26.250 43.365 -1.766 1.00 7.03 H new ATOM 0 HB3 ASP A 178 27.581 43.861 -2.411 1.00 7.03 H new ATOM 2449 N SER A 179 26.730 45.539 0.414 1.00 6.69 N ANISOU 2449 N SER A 179 533 1376 632 -46 2 256 N ATOM 2450 CA SER A 179 26.635 46.946 0.727 1.00 6.41 C ANISOU 2450 CA SER A 179 522 1267 647 -36 -57 142 C ATOM 2451 C SER A 179 27.409 47.377 1.988 1.00 5.61 C ANISOU 2451 C SER A 179 387 1314 431 24 221 208 C ATOM 2452 O SER A 179 27.277 48.533 2.390 1.00 6.69 O ANISOU 2452 O SER A 179 713 1155 673 28 65 198 O ATOM 2453 CB SER A 179 25.166 47.399 0.836 1.00 7.24 C ANISOU 2453 CB SER A 179 628 1320 803 -9 -53 149 C ATOM 2454 OG SER A 179 24.576 46.785 1.954 1.00 7.95 O ANISOU 2454 OG SER A 179 560 1639 820 -21 43 -93 O ATOM 0 H SER A 179 26.031 45.081 0.618 1.00 6.69 H new ATOM 0 HA SER A 179 27.063 47.391 -0.021 1.00 6.41 H new ATOM 0 HB2 SER A 179 25.119 48.364 0.921 1.00 7.24 H new ATOM 0 HB3 SER A 179 24.682 47.161 0.030 1.00 7.24 H new ATOM 0 HG SER A 179 23.795 46.544 1.762 1.00 7.95 H new ATOM 2459 N MET A 180 28.207 46.499 2.512 1.00 6.48 N ANISOU 2459 N MET A 180 696 1215 550 16 -82 158 N ATOM 2460 CA MET A 180 29.178 46.796 3.569 1.00 6.61 C ANISOU 2460 CA MET A 180 551 1233 728 -47 -107 -96 C ATOM 2461 C MET A 180 30.580 46.774 2.930 1.00 6.70 C ANISOU 2461 C MET A 180 665 1239 643 93 -15 199 C ATOM 2462 O MET A 180 30.800 46.068 1.943 1.00 8.62 O ANISOU 2462 O MET A 180 907 1626 741 20 9 406 O ATOM 2463 CB MET A 180 29.121 45.824 4.728 1.00 7.53 C ANISOU 2463 CB MET A 180 593 1693 577 -87 -104 -62 C ATOM 2464 CG MET A 180 27.797 45.942 5.520 1.00 8.29 C ANISOU 2464 CG MET A 180 670 1619 861 -191 -2 -1 C ATOM 2465 SD MET A 180 27.602 44.496 6.569 1.00 8.74 S ANISOU 2465 SD MET A 180 857 1743 721 -226 -28 -13 S ATOM 2466 CE MET A 180 25.894 44.751 7.136 1.00 11.21 C ANISOU 2466 CE MET A 180 868 1872 1519 -150 330 234 C ATOM 0 H MET A 180 28.215 45.675 2.267 1.00 6.48 H new ATOM 0 HA MET A 180 28.966 47.665 3.944 1.00 6.61 H new ATOM 0 HB2 MET A 180 29.218 44.918 4.394 1.00 7.53 H new ATOM 0 HB3 MET A 180 29.869 45.988 5.324 1.00 7.53 H new ATOM 0 HG2 MET A 180 27.802 46.748 6.060 1.00 8.29 H new ATOM 0 HG3 MET A 180 27.047 46.014 4.909 1.00 8.29 H new ATOM 0 HE1 MET A 180 25.551 43.925 7.513 1.00 11.21 H new ATOM 0 HE2 MET A 180 25.878 45.446 7.812 1.00 11.21 H new ATOM 0 HE3 MET A 180 25.340 45.018 6.386 1.00 11.21 H new ATOM 2476 N ILE A 181 31.510 47.487 3.552 1.00 7.15 N ANISOU 2476 N ILE A 181 524 1701 492 71 74 418 N ATOM 2477 CA ILE A 181 32.900 47.441 3.116 1.00 8.82 C ANISOU 2477 CA ILE A 181 580 1931 840 93 184 265 C ATOM 2478 C ILE A 181 33.743 47.257 4.366 1.00 8.77 C ANISOU 2478 C ILE A 181 537 1904 893 40 106 593 C ATOM 2479 O ILE A 181 33.466 47.851 5.412 1.00 8.90 O ANISOU 2479 O ILE A 181 677 1694 1009 223 15 650 O ATOM 2480 CB ILE A 181 33.219 48.668 2.239 1.00 10.26 C ANISOU 2480 CB ILE A 181 704 1842 1353 -311 82 250 C ATOM 2481 CG1 ILE A 181 34.611 48.550 1.592 1.00 10.92 C ANISOU 2481 CG1 ILE A 181 774 2422 953 -440 32 234 C ATOM 2482 CG2 ILE A 181 33.039 49.974 2.946 1.00 10.65 C ANISOU 2482 CG2 ILE A 181 1061 2053 933 -640 11 -413 C ATOM 2483 CD1 ILE A 181 34.810 49.540 0.464 1.00 15.92 C ANISOU 2483 CD1 ILE A 181 1355 3105 1587 -378 158 458 C ATOM 0 H ILE A 181 31.359 48.001 4.225 1.00 7.15 H new ATOM 0 HA ILE A 181 33.103 46.694 2.531 1.00 8.82 H new ATOM 0 HB ILE A 181 32.559 48.668 1.528 1.00 10.26 H new ATOM 0 HG12 ILE A 181 35.292 48.693 2.268 1.00 10.92 H new ATOM 0 HG13 ILE A 181 34.732 47.649 1.253 1.00 10.92 H new ATOM 0 HG21 ILE A 181 33.255 50.702 2.342 1.00 10.65 H new ATOM 0 HG22 ILE A 181 32.118 50.060 3.239 1.00 10.65 H new ATOM 0 HG23 ILE A 181 33.627 50.009 3.717 1.00 10.65 H new ATOM 0 HD11 ILE A 181 35.697 49.429 0.088 1.00 15.92 H new ATOM 0 HD12 ILE A 181 34.146 49.383 -0.225 1.00 15.92 H new ATOM 0 HD13 ILE A 181 34.715 50.443 0.805 1.00 15.92 H new ATOM 2495 N CYS A 182 34.744 46.387 4.281 1.00 8.33 N ANISOU 2495 N CYS A 182 631 1729 806 68 -9 692 N ATOM 2496 CA CYS A 182 35.655 46.064 5.355 1.00 8.64 C ANISOU 2496 CA CYS A 182 674 1795 813 -69 64 343 C ATOM 2497 C CYS A 182 37.022 46.737 5.168 1.00 7.83 C ANISOU 2497 C CYS A 182 681 1662 631 -20 -16 -67 C ATOM 2498 O CYS A 182 37.453 46.903 4.031 1.00 7.76 O ANISOU 2498 O CYS A 182 676 1675 598 135 -2 172 O ATOM 2499 CB CYS A 182 35.878 44.561 5.475 1.00 9.05 C ANISOU 2499 CB CYS A 182 551 1847 1040 -101 66 287 C ATOM 2500 SG CYS A 182 34.331 43.677 5.856 1.00 12.21 S ANISOU 2500 SG CYS A 182 944 1930 1765 -285 547 454 S ATOM 0 H CYS A 182 34.913 45.952 3.559 1.00 8.33 H new ATOM 0 HA CYS A 182 35.237 46.398 6.164 1.00 8.64 H new ATOM 0 HB2 CYS A 182 36.249 44.222 4.645 1.00 9.05 H new ATOM 0 HB3 CYS A 182 36.531 44.385 6.170 1.00 9.05 H new ATOM 2505 N ALA A 183 37.660 47.152 6.268 1.00 7.00 N ANISOU 2505 N ALA A 183 479 1561 622 30 132 171 N ATOM 2506 CA ALA A 183 38.971 47.750 6.197 1.00 7.42 C ANISOU 2506 CA ALA A 183 501 1576 741 14 66 26 C ATOM 2507 C ALA A 183 39.780 47.416 7.433 1.00 7.60 C ANISOU 2507 C ALA A 183 519 1724 645 -139 94 -28 C ATOM 2508 O ALA A 183 39.263 47.496 8.550 1.00 8.84 O ANISOU 2508 O ALA A 183 582 2101 675 106 173 117 O ATOM 2509 CB ALA A 183 38.874 49.248 6.062 1.00 8.73 C ANISOU 2509 CB ALA A 183 919 1593 804 -161 31 29 C ATOM 0 H ALA A 183 37.339 47.090 7.063 1.00 7.00 H new ATOM 0 HA ALA A 183 39.414 47.388 5.414 1.00 7.42 H new ATOM 0 HB1 ALA A 183 39.766 49.627 6.016 1.00 8.73 H new ATOM 0 HB2 ALA A 183 38.387 49.469 5.253 1.00 8.73 H new ATOM 0 HB3 ALA A 183 38.407 49.613 6.830 1.00 8.73 H new ATOM 2515 N GLY A 184 41.049 47.086 7.243 1.00 7.42 N ANISOU 2515 N GLY A 184 517 1736 567 32 100 -54 N ATOM 2516 CA GLY A 184 41.948 46.773 8.352 1.00 8.07 C ANISOU 2516 CA GLY A 184 752 1796 518 48 25 -63 C ATOM 2517 C GLY A 184 43.150 46.007 7.842 1.00 7.17 C ANISOU 2517 C GLY A 184 563 1486 677 -145 -30 -50 C ATOM 2518 O GLY A 184 43.173 45.605 6.671 1.00 9.37 O ANISOU 2518 O GLY A 184 580 1985 995 87 -8 446 O ATOM 0 H GLY A 184 41.417 47.036 6.467 1.00 7.42 H new ATOM 0 HA2 GLY A 184 42.236 47.591 8.786 1.00 8.07 H new ATOM 0 HA3 GLY A 184 41.480 46.248 9.020 1.00 8.07 H new ATOM 2522 N VAL A 185 44.162 45.837 8.642 1.00 10.40 N ANISOU 2522 N VAL A 185 911 2111 931 297 -188 206 N ATOM 2523 CA VAL A 185 45.401 45.176 8.243 1.00 9.41 C ANISOU 2523 CA VAL A 185 756 2094 726 176 43 79 C ATOM 2524 C VAL A 185 45.389 43.809 8.870 1.00 10.75 C ANISOU 2524 C VAL A 185 998 2098 990 230 105 156 C ATOM 2525 O VAL A 185 44.821 43.601 9.967 1.00 10.73 O ANISOU 2525 O VAL A 185 929 2117 1033 -68 88 129 O ATOM 2526 CB VAL A 185 46.684 45.938 8.617 1.00 11.06 C ANISOU 2526 CB VAL A 185 924 2145 1132 158 -102 103 C ATOM 2527 CG1 VAL A 185 46.713 47.337 7.968 1.00 11.76 C ANISOU 2527 CG1 VAL A 185 944 2180 1343 -89 -376 -59 C ATOM 2528 CG2 VAL A 185 46.854 46.046 10.107 1.00 14.13 C ANISOU 2528 CG2 VAL A 185 1304 2952 1113 -218 -257 25 C ATOM 0 H VAL A 185 44.163 46.105 9.459 1.00 10.40 H new ATOM 0 HA VAL A 185 45.425 45.135 7.274 1.00 9.41 H new ATOM 0 HB VAL A 185 47.430 45.424 8.269 1.00 11.06 H new ATOM 0 HG11 VAL A 185 47.531 47.794 8.220 1.00 11.76 H new ATOM 0 HG12 VAL A 185 46.678 47.247 7.003 1.00 11.76 H new ATOM 0 HG13 VAL A 185 45.949 47.851 8.272 1.00 11.76 H new ATOM 0 HG21 VAL A 185 47.670 46.531 10.305 1.00 14.13 H new ATOM 0 HG22 VAL A 185 46.097 46.520 10.486 1.00 14.13 H new ATOM 0 HG23 VAL A 185 46.904 45.157 10.492 1.00 14.13 H new ATOM 2538 N PRO A 186 45.909 42.752 8.235 1.00 11.72 N ANISOU 2538 N PRO A 186 1073 2180 1201 262 117 53 N ATOM 2539 CA PRO A 186 45.746 41.405 8.799 1.00 13.35 C ANISOU 2539 CA PRO A 186 1315 2206 1552 386 263 218 C ATOM 2540 C PRO A 186 46.329 41.236 10.204 1.00 14.78 C ANISOU 2540 C PRO A 186 1629 2264 1724 428 55 397 C ATOM 2541 O PRO A 186 45.753 40.472 11.023 1.00 15.89 O ANISOU 2541 O PRO A 186 1604 2703 1730 407 301 490 O ATOM 2542 CB PRO A 186 46.423 40.499 7.775 1.00 16.66 C ANISOU 2542 CB PRO A 186 2200 2261 1869 642 461 190 C ATOM 2543 CG PRO A 186 47.001 41.354 6.691 1.00 16.29 C ANISOU 2543 CG PRO A 186 1950 2392 1846 416 685 -49 C ATOM 2544 CD PRO A 186 46.580 42.772 6.932 1.00 13.69 C ANISOU 2544 CD PRO A 186 1530 2353 1319 412 362 119 C ATOM 0 HA PRO A 186 44.810 41.192 8.936 1.00 13.35 H new ATOM 0 HB2 PRO A 186 47.121 39.975 8.198 1.00 16.66 H new ATOM 0 HB3 PRO A 186 45.782 39.872 7.404 1.00 16.66 H new ATOM 0 HG2 PRO A 186 47.969 41.285 6.687 1.00 16.29 H new ATOM 0 HG3 PRO A 186 46.691 41.053 5.822 1.00 16.29 H new ATOM 0 HD2 PRO A 186 47.345 43.369 6.940 1.00 13.69 H new ATOM 0 HD3 PRO A 186 45.983 43.085 6.234 1.00 13.69 H new ATOM 2552 N GLU A 186A 47.396 41.952 10.498 1.00 14.11 N ANISOU 2552 N GLU A 186A 1243 2528 1592 566 126 515 N ATOM 2553 CA GLU A 186A 48.080 41.864 11.800 1.00 15.88 C ANISOU 2553 CA GLU A 186A 1418 2715 1901 507 -155 598 C ATOM 2554 C GLU A 186A 47.364 42.654 12.871 1.00 14.87 C ANISOU 2554 C GLU A 186A 1546 2570 1532 339 -263 634 C ATOM 2555 O GLU A 186A 47.723 42.671 14.056 1.00 17.48 O ANISOU 2555 O GLU A 186A 1595 3398 1649 319 -409 632 O ATOM 2556 CB GLU A 186A 49.553 42.321 11.655 1.00 18.37 C ANISOU 2556 CB GLU A 186A 1368 3100 2511 424 -222 416 C ATOM 2557 CG GLU A 186A 49.752 43.786 11.276 1.00 19.18 C ANISOU 2557 CG GLU A 186A 1212 3149 2928 273 -66 378 C ATOM 2558 CD GLU A 186A 49.800 44.114 9.801 1.00 20.44 C ANISOU 2558 CD GLU A 186A 1871 2919 2978 166 -100 509 C ATOM 2559 OE1 GLU A 186A 49.290 43.361 8.955 1.00 19.75 O ANISOU 2559 OE1 GLU A 186A 1814 2887 2802 298 126 401 O ATOM 2560 OE2 GLU A 186A 50.370 45.167 9.407 1.00 24.55 O ANISOU 2560 OE2 GLU A 186A 2590 3376 3362 -410 111 530 O ATOM 0 H GLU A 186A 47.756 42.511 9.952 1.00 14.11 H new ATOM 0 HA GLU A 186A 48.066 40.937 12.084 1.00 15.88 H new ATOM 0 HB2 GLU A 186A 50.011 42.155 12.494 1.00 18.37 H new ATOM 0 HB3 GLU A 186A 49.982 41.768 10.983 1.00 18.37 H new ATOM 0 HG2 GLU A 186A 49.034 44.301 11.676 1.00 19.18 H new ATOM 0 HG3 GLU A 186A 50.579 44.092 11.680 1.00 19.18 H new ATOM 2567 N GLY A 186B 46.283 43.345 12.499 1.00 13.67 N ANISOU 2567 N GLY A 186B 1303 2543 1349 213 -259 261 N ATOM 2568 CA GLY A 186B 45.600 44.225 13.428 1.00 13.54 C ANISOU 2568 CA GLY A 186B 1360 2475 1311 34 -104 296 C ATOM 2569 C GLY A 186B 46.346 45.484 13.771 1.00 12.63 C ANISOU 2569 C GLY A 186B 1040 2550 1207 99 -325 298 C ATOM 2570 O GLY A 186B 47.431 45.791 13.248 1.00 14.39 O ANISOU 2570 O GLY A 186B 1375 2753 1337 -98 -45 249 O ATOM 0 H GLY A 186B 45.935 43.313 11.713 1.00 13.67 H new ATOM 0 HA2 GLY A 186B 44.740 44.467 13.051 1.00 13.54 H new ATOM 0 HA3 GLY A 186B 45.424 43.736 14.247 1.00 13.54 H new ATOM 2574 N GLY A 187 45.795 46.273 14.670 1.00 13.19 N ANISOU 2574 N GLY A 187 927 2541 1541 -73 -215 175 N ATOM 2575 CA GLY A 187 46.450 47.453 15.218 1.00 12.96 C ANISOU 2575 CA GLY A 187 928 2642 1355 -195 -74 208 C ATOM 2576 C GLY A 187 46.005 48.767 14.645 1.00 13.08 C ANISOU 2576 C GLY A 187 878 2516 1575 -95 -160 -2 C ATOM 2577 O GLY A 187 46.344 49.807 15.157 1.00 14.82 O ANISOU 2577 O GLY A 187 1374 2681 1577 -206 -339 -64 O ATOM 0 H GLY A 187 45.008 46.138 14.991 1.00 13.19 H new ATOM 0 HA2 GLY A 187 46.302 47.470 16.176 1.00 12.96 H new ATOM 0 HA3 GLY A 187 47.406 47.366 15.080 1.00 12.96 H new ATOM 2581 N LYS A 188 45.183 48.745 13.579 1.00 11.70 N ANISOU 2581 N LYS A 188 840 2279 1327 38 -1 -78 N ATOM 2582 CA LYS A 188 44.708 49.950 12.914 1.00 11.24 C ANISOU 2582 CA LYS A 188 919 2021 1330 170 -8 365 C ATOM 2583 C LYS A 188 43.217 49.810 12.649 1.00 11.08 C ANISOU 2583 C LYS A 188 969 2016 1226 149 -160 357 C ATOM 2584 O LYS A 188 42.810 48.897 11.946 1.00 12.22 O ANISOU 2584 O LYS A 188 957 2189 1498 1 83 496 O ATOM 2585 CB LYS A 188 45.465 50.186 11.615 1.00 12.31 C ANISOU 2585 CB LYS A 188 1100 2323 1254 41 -132 -92 C ATOM 2586 CG LYS A 188 46.969 50.380 11.839 1.00 15.46 C ANISOU 2586 CG LYS A 188 1124 2581 2169 -547 -14 -443 C ATOM 2587 CD LYS A 188 47.532 51.511 10.979 1.00 21.63 C ANISOU 2587 CD LYS A 188 1958 3625 2635 -667 211 306 C ATOM 2588 CE LYS A 188 47.778 50.946 9.613 1.00 25.33 C ANISOU 2588 CE LYS A 188 2538 4428 2657 -139 443 250 C ATOM 2589 NZ LYS A 188 48.382 51.949 8.663 1.00 22.23 N ANISOU 2589 NZ LYS A 188 1747 4173 2527 -223 407 -128 N ATOM 0 H LYS A 188 44.889 48.018 13.227 1.00 11.70 H new ATOM 0 HA LYS A 188 44.865 50.717 13.487 1.00 11.24 H new ATOM 0 HB2 LYS A 188 45.324 49.433 11.021 1.00 12.31 H new ATOM 0 HB3 LYS A 188 45.103 50.969 11.171 1.00 12.31 H new ATOM 0 HG2 LYS A 188 47.134 50.573 12.775 1.00 15.46 H new ATOM 0 HG3 LYS A 188 47.435 49.555 11.633 1.00 15.46 H new ATOM 0 HD2 LYS A 188 46.908 52.252 10.936 1.00 21.63 H new ATOM 0 HD3 LYS A 188 48.355 51.855 11.361 1.00 21.63 H new ATOM 0 HE2 LYS A 188 48.369 50.180 9.686 1.00 25.33 H new ATOM 0 HE3 LYS A 188 46.940 50.623 9.246 1.00 25.33 H new ATOM 0 HZ1 LYS A 188 48.926 51.531 8.096 1.00 22.23 H new ATOM 0 HZ2 LYS A 188 47.734 52.354 8.207 1.00 22.23 H new ATOM 0 HZ3 LYS A 188 48.843 52.555 9.124 1.00 22.23 H new ATOM 2603 N ASP A 189 42.416 50.693 13.202 1.00 10.15 N ANISOU 2603 N ASP A 189 740 1829 1287 -29 -132 235 N ATOM 2604 CA ASP A 189 40.963 50.504 13.025 1.00 9.40 C ANISOU 2604 CA ASP A 189 762 1789 1020 -36 -285 -89 C ATOM 2605 C ASP A 189 40.240 51.731 13.577 1.00 8.44 C ANISOU 2605 C ASP A 189 637 1849 722 -262 -98 252 C ATOM 2606 O ASP A 189 40.830 52.564 14.248 1.00 10.76 O ANISOU 2606 O ASP A 189 755 2187 1144 -426 -126 517 O ATOM 2607 CB ASP A 189 40.486 49.283 13.784 1.00 10.39 C ANISOU 2607 CB ASP A 189 881 1849 1216 -53 -109 -50 C ATOM 2608 CG ASP A 189 39.154 48.669 13.388 1.00 10.43 C ANISOU 2608 CG ASP A 189 827 2003 1134 -74 -5 53 C ATOM 2609 OD1 ASP A 189 38.465 49.194 12.491 1.00 10.22 O ANISOU 2609 OD1 ASP A 189 921 1956 1005 -44 -64 187 O ATOM 2610 OD2 ASP A 189 38.799 47.618 14.033 1.00 11.42 O ANISOU 2610 OD2 ASP A 189 1041 2080 1218 -188 44 86 O ATOM 0 H ASP A 189 42.658 51.378 13.662 1.00 10.15 H new ATOM 0 HA ASP A 189 40.774 50.384 12.081 1.00 9.40 H new ATOM 0 HB2 ASP A 189 41.166 48.597 13.699 1.00 10.39 H new ATOM 0 HB3 ASP A 189 40.436 49.518 14.724 1.00 10.39 H new ATOM 2615 N SER A 190 38.947 51.846 13.281 1.00 8.84 N ANISOU 2615 N SER A 190 634 1844 881 -99 -172 285 N ATOM 2616 CA SER A 190 38.034 52.705 14.042 1.00 9.51 C ANISOU 2616 CA SER A 190 869 1858 887 -155 42 332 C ATOM 2617 C SER A 190 37.617 51.957 15.285 1.00 10.00 C ANISOU 2617 C SER A 190 979 1912 908 -264 -3 322 C ATOM 2618 O SER A 190 37.894 50.769 15.451 1.00 10.38 O ANISOU 2618 O SER A 190 1119 1925 900 -265 23 -336 O ATOM 2619 CB SER A 190 36.866 53.133 13.150 1.00 8.94 C ANISOU 2619 CB SER A 190 679 1771 948 -62 166 318 C ATOM 2620 OG SER A 190 36.321 52.014 12.422 1.00 10.03 O ANISOU 2620 OG SER A 190 784 2045 984 -219 81 374 O ATOM 0 H SER A 190 38.571 51.427 12.631 1.00 8.84 H new ATOM 0 HA SER A 190 38.462 53.528 14.327 1.00 9.51 H new ATOM 0 HB2 SER A 190 36.172 53.535 13.695 1.00 8.94 H new ATOM 0 HB3 SER A 190 37.166 53.812 12.526 1.00 8.94 H new ATOM 0 HG SER A 190 36.647 51.998 11.648 1.00 10.03 H new ATOM 2625 N CYS A 191 36.941 52.647 16.206 1.00 9.52 N ANISOU 2625 N CYS A 191 801 2070 748 -57 -76 134 N ATOM 2626 CA CYS A 191 36.604 52.051 17.497 1.00 10.03 C ANISOU 2626 CA CYS A 191 859 2051 901 -217 57 142 C ATOM 2627 C CYS A 191 35.414 52.825 18.069 1.00 10.06 C ANISOU 2627 C CYS A 191 921 1991 909 -190 90 -84 C ATOM 2628 O CYS A 191 34.836 53.702 17.430 1.00 10.70 O ANISOU 2628 O CYS A 191 1051 2124 892 -53 111 -254 O ATOM 2629 CB CYS A 191 37.834 52.008 18.373 1.00 11.51 C ANISOU 2629 CB CYS A 191 1100 2751 523 148 36 -332 C ATOM 2630 SG CYS A 191 37.733 50.799 19.763 1.00 14.32 S ANISOU 2630 SG CYS A 191 1402 2883 1156 52 2 12 S ATOM 0 H CYS A 191 36.670 53.457 16.102 1.00 9.52 H new ATOM 0 HA CYS A 191 36.324 51.125 17.424 1.00 10.03 H new ATOM 0 HB2 CYS A 191 38.603 51.789 17.823 1.00 11.51 H new ATOM 0 HB3 CYS A 191 37.989 52.893 18.738 1.00 11.51 H new ATOM 2635 N GLN A 192 35.042 52.547 19.301 1.00 11.78 N ANISOU 2635 N GLN A 192 1118 2438 919 53 116 -149 N ATOM 2636 CA GLN A 192 33.900 53.169 19.940 1.00 11.28 C ANISOU 2636 CA GLN A 192 1158 2210 917 6 109 -129 C ATOM 2637 C GLN A 192 34.051 54.694 19.996 1.00 10.65 C ANISOU 2637 C GLN A 192 916 2244 886 -246 324 177 C ATOM 2638 O GLN A 192 35.032 55.217 20.502 1.00 13.42 O ANISOU 2638 O GLN A 192 1069 2619 1410 -398 34 -67 O ATOM 2639 CB GLN A 192 33.688 52.567 21.324 1.00 13.18 C ANISOU 2639 CB GLN A 192 1185 2593 1228 168 358 267 C ATOM 2640 CG GLN A 192 32.870 51.298 21.309 1.00 16.55 C ANISOU 2640 CG GLN A 192 2114 2535 1642 -51 665 220 C ATOM 2641 CD GLN A 192 33.478 50.094 20.626 1.00 17.06 C ANISOU 2641 CD GLN A 192 1864 2742 1878 128 293 -45 C ATOM 2642 OE1 GLN A 192 34.684 49.864 20.858 1.00 18.55 O ANISOU 2642 OE1 GLN A 192 1847 3147 2054 63 182 -354 O ATOM 2643 NE2 GLN A 192 32.757 49.291 19.820 1.00 16.13 N ANISOU 2643 NE2 GLN A 192 1818 2912 1398 486 -4 91 N ATOM 0 H GLN A 192 35.453 51.981 19.801 1.00 11.78 H new ATOM 0 HA GLN A 192 33.109 52.989 19.407 1.00 11.28 H new ATOM 0 HB2 GLN A 192 34.552 52.382 21.724 1.00 13.18 H new ATOM 0 HB3 GLN A 192 33.248 53.221 21.889 1.00 13.18 H new ATOM 0 HG2 GLN A 192 32.674 51.056 22.227 1.00 16.55 H new ATOM 0 HG3 GLN A 192 32.022 51.492 20.879 1.00 16.55 H new ATOM 0 HE21 GLN A 192 31.928 49.464 19.671 1.00 16.13 H new ATOM 0 HE22 GLN A 192 33.126 48.605 19.454 1.00 16.13 H new ATOM 2652 N GLY A 193 33.068 55.423 19.499 1.00 9.76 N ANISOU 2652 N GLY A 193 1028 1958 722 -266 335 -219 N ATOM 2653 CA GLY A 193 33.065 56.849 19.315 1.00 10.52 C ANISOU 2653 CA GLY A 193 1383 1882 732 -298 252 -462 C ATOM 2654 C GLY A 193 33.358 57.289 17.900 1.00 8.51 C ANISOU 2654 C GLY A 193 931 1609 695 -312 82 430 C ATOM 2655 O GLY A 193 33.227 58.456 17.586 1.00 11.00 O ANISOU 2655 O GLY A 193 1498 1697 983 -139 444 -364 O ATOM 0 H GLY A 193 32.330 55.063 19.242 1.00 9.76 H new ATOM 0 HA2 GLY A 193 32.199 57.198 19.579 1.00 10.52 H new ATOM 0 HA3 GLY A 193 33.723 57.243 19.909 1.00 10.52 H new ATOM 2659 N ASP A 194 33.743 56.369 17.030 1.00 8.73 N ANISOU 2659 N ASP A 194 856 1815 645 -201 77 407 N ATOM 2660 CA ASP A 194 33.969 56.673 15.612 1.00 8.38 C ANISOU 2660 CA ASP A 194 867 1613 702 -369 164 322 C ATOM 2661 C ASP A 194 32.751 56.379 14.745 1.00 8.40 C ANISOU 2661 C ASP A 194 729 1885 579 -331 233 232 C ATOM 2662 O ASP A 194 32.732 56.852 13.608 1.00 7.99 O ANISOU 2662 O ASP A 194 701 1688 645 -185 310 289 O ATOM 2663 CB ASP A 194 35.174 55.913 15.094 1.00 8.72 C ANISOU 2663 CB ASP A 194 896 1770 649 -192 141 162 C ATOM 2664 CG ASP A 194 36.489 56.377 15.704 1.00 9.59 C ANISOU 2664 CG ASP A 194 914 1944 785 -155 133 318 C ATOM 2665 OD1 ASP A 194 36.666 57.618 15.867 1.00 10.09 O ANISOU 2665 OD1 ASP A 194 1105 1886 841 -108 -81 -400 O ATOM 2666 OD2 ASP A 194 37.303 55.465 15.990 1.00 9.52 O ANISOU 2666 OD2 ASP A 194 852 1859 908 -251 107 226 O ATOM 0 H ASP A 194 33.883 55.547 17.239 1.00 8.73 H new ATOM 0 HA ASP A 194 34.137 57.627 15.553 1.00 8.38 H new ATOM 0 HB2 ASP A 194 35.056 54.968 15.278 1.00 8.72 H new ATOM 0 HB3 ASP A 194 35.220 56.011 14.130 1.00 8.72 H new ATOM 2671 N SER A 195 31.764 55.632 15.249 1.00 8.80 N ANISOU 2671 N SER A 195 863 1965 516 -462 147 321 N ATOM 2672 CA SER A 195 30.579 55.313 14.520 1.00 7.97 C ANISOU 2672 CA SER A 195 738 1690 602 -387 201 304 C ATOM 2673 C SER A 195 30.001 56.529 13.781 1.00 7.33 C ANISOU 2673 C SER A 195 559 1540 686 -420 346 361 C ATOM 2674 O SER A 195 29.888 57.587 14.362 1.00 9.45 O ANISOU 2674 O SER A 195 1142 1677 772 -380 115 -473 O ATOM 2675 CB SER A 195 29.477 54.799 15.442 1.00 9.02 C ANISOU 2675 CB SER A 195 814 1794 818 -445 188 122 C ATOM 2676 OG SER A 195 29.519 53.397 15.610 1.00 9.62 O ANISOU 2676 OG SER A 195 951 1783 921 -356 81 -18 O ATOM 0 H SER A 195 31.783 55.299 16.042 1.00 8.80 H new ATOM 0 HA SER A 195 30.848 54.632 13.884 1.00 7.97 H new ATOM 0 HB2 SER A 195 29.559 55.228 16.308 1.00 9.02 H new ATOM 0 HB3 SER A 195 28.613 55.052 15.080 1.00 9.02 H new ATOM 0 HG SER A 195 28.757 53.117 15.826 1.00 9.62 H new ATOM 2681 N GLY A 196 29.607 56.311 12.534 1.00 7.62 N ANISOU 2681 N GLY A 196 692 1480 723 -210 127 377 N ATOM 2682 CA GLY A 196 28.975 57.371 11.792 1.00 7.78 C ANISOU 2682 CA GLY A 196 711 1416 830 -50 339 411 C ATOM 2683 C GLY A 196 29.926 58.242 11.024 1.00 7.79 C ANISOU 2683 C GLY A 196 791 1551 618 -134 203 369 C ATOM 2684 O GLY A 196 29.514 58.991 10.155 1.00 8.65 O ANISOU 2684 O GLY A 196 765 1750 772 -153 187 294 O ATOM 0 H GLY A 196 29.697 55.568 12.111 1.00 7.62 H new ATOM 0 HA2 GLY A 196 28.338 56.982 11.173 1.00 7.78 H new ATOM 0 HA3 GLY A 196 28.470 57.926 12.407 1.00 7.78 H new ATOM 2688 N GLY A 197 31.224 58.192 11.386 1.00 8.33 N ANISOU 2688 N GLY A 197 664 1704 797 -144 301 326 N ATOM 2689 CA GLY A 197 32.192 59.036 10.714 1.00 7.60 C ANISOU 2689 CA GLY A 197 861 1443 584 -216 125 354 C ATOM 2690 C GLY A 197 32.684 58.420 9.428 1.00 7.19 C ANISOU 2690 C GLY A 197 596 1479 655 -287 121 437 C ATOM 2691 O GLY A 197 32.330 57.323 9.002 1.00 7.71 O ANISOU 2691 O GLY A 197 806 1392 732 -156 223 429 O ATOM 0 H GLY A 197 31.544 57.686 12.003 1.00 8.33 H new ATOM 0 HA2 GLY A 197 31.791 59.899 10.526 1.00 7.60 H new ATOM 0 HA3 GLY A 197 32.945 59.196 11.304 1.00 7.60 H new ATOM 2695 N PRO A 198 33.529 59.188 8.724 1.00 8.43 N ANISOU 2695 N PRO A 198 771 1571 861 -270 256 373 N ATOM 2696 CA PRO A 198 33.938 58.847 7.400 1.00 7.37 C ANISOU 2696 CA PRO A 198 642 1394 767 -119 195 203 C ATOM 2697 C PRO A 198 35.133 57.929 7.231 1.00 7.28 C ANISOU 2697 C PRO A 198 560 1423 784 -305 96 374 C ATOM 2698 O PRO A 198 36.143 57.987 7.901 1.00 8.44 O ANISOU 2698 O PRO A 198 588 1748 871 -56 3 444 O ATOM 2699 CB PRO A 198 34.331 60.252 6.854 1.00 8.82 C ANISOU 2699 CB PRO A 198 879 1460 1011 -324 189 223 C ATOM 2700 CG PRO A 198 34.899 60.970 8.062 1.00 8.58 C ANISOU 2700 CG PRO A 198 952 1419 889 -191 289 232 C ATOM 2701 CD PRO A 198 33.998 60.499 9.194 1.00 8.04 C ANISOU 2701 CD PRO A 198 636 1345 1075 -168 352 297 C ATOM 0 HA PRO A 198 33.232 58.345 6.964 1.00 7.37 H new ATOM 0 HB2 PRO A 198 34.985 60.186 6.141 1.00 8.82 H new ATOM 0 HB3 PRO A 198 33.562 60.720 6.492 1.00 8.82 H new ATOM 0 HG2 PRO A 198 35.826 60.732 8.218 1.00 8.58 H new ATOM 0 HG3 PRO A 198 34.868 61.934 7.955 1.00 8.58 H new ATOM 0 HD2 PRO A 198 34.482 60.428 10.032 1.00 8.04 H new ATOM 0 HD3 PRO A 198 33.261 61.111 9.344 1.00 8.04 H new ATOM 2709 N LEU A 199 34.995 57.101 6.185 1.00 7.38 N ANISOU 2709 N LEU A 199 674 1498 631 -226 202 334 N ATOM 2710 CA LEU A 199 36.094 56.394 5.518 1.00 7.00 C ANISOU 2710 CA LEU A 199 510 1553 597 -147 104 226 C ATOM 2711 C LEU A 199 36.215 57.074 4.160 1.00 6.86 C ANISOU 2711 C LEU A 199 477 1475 656 -86 191 209 C ATOM 2712 O LEU A 199 35.251 56.999 3.381 1.00 8.04 O ANISOU 2712 O LEU A 199 675 1730 651 -165 103 112 O ATOM 2713 CB LEU A 199 35.763 54.902 5.491 1.00 7.75 C ANISOU 2713 CB LEU A 199 709 1518 716 -141 274 103 C ATOM 2714 CG LEU A 199 36.761 54.006 4.778 1.00 7.50 C ANISOU 2714 CG LEU A 199 493 1569 788 -103 93 168 C ATOM 2715 CD1 LEU A 199 36.607 52.573 5.266 1.00 8.72 C ANISOU 2715 CD1 LEU A 199 760 1566 988 -36 198 203 C ATOM 2716 CD2 LEU A 199 36.634 53.973 3.268 1.00 7.87 C ANISOU 2716 CD2 LEU A 199 617 1539 835 17 13 378 C ATOM 0 H LEU A 199 34.229 56.931 5.834 1.00 7.38 H new ATOM 0 HA LEU A 199 36.956 56.441 5.960 1.00 7.00 H new ATOM 0 HB2 LEU A 199 35.675 54.593 6.406 1.00 7.75 H new ATOM 0 HB3 LEU A 199 34.897 54.790 5.069 1.00 7.75 H new ATOM 0 HG LEU A 199 37.626 54.390 4.990 1.00 7.50 H new ATOM 0 HD11 LEU A 199 37.246 52.005 4.808 1.00 8.72 H new ATOM 0 HD12 LEU A 199 36.770 52.537 6.222 1.00 8.72 H new ATOM 0 HD13 LEU A 199 35.707 52.262 5.080 1.00 8.72 H new ATOM 0 HD21 LEU A 199 37.307 53.379 2.899 1.00 7.87 H new ATOM 0 HD22 LEU A 199 35.752 53.652 3.024 1.00 7.87 H new ATOM 0 HD23 LEU A 199 36.762 54.866 2.913 1.00 7.87 H new ATOM 2728 N ALA A 200 37.335 57.706 3.860 1.00 7.28 N ANISOU 2728 N ALA A 200 652 1497 617 -179 126 104 N ATOM 2729 CA ALA A 200 37.546 58.476 2.655 1.00 7.81 C ANISOU 2729 CA ALA A 200 875 1437 656 4 243 -41 C ATOM 2730 C ALA A 200 38.513 57.752 1.722 1.00 7.07 C ANISOU 2730 C ALA A 200 659 1336 691 -99 206 -66 C ATOM 2731 O ALA A 200 39.582 57.327 2.146 1.00 9.33 O ANISOU 2731 O ALA A 200 853 1809 883 60 101 156 O ATOM 2732 CB ALA A 200 38.082 59.853 3.038 1.00 9.74 C ANISOU 2732 CB ALA A 200 1206 1408 1088 -92 511 -212 C ATOM 0 H ALA A 200 38.022 57.696 4.377 1.00 7.28 H new ATOM 0 HA ALA A 200 36.706 58.581 2.181 1.00 7.81 H new ATOM 0 HB1 ALA A 200 38.227 60.379 2.236 1.00 9.74 H new ATOM 0 HB2 ALA A 200 37.439 60.304 3.607 1.00 9.74 H new ATOM 0 HB3 ALA A 200 38.921 59.753 3.515 1.00 9.74 H new ATOM 2738 N ALA A 201 38.108 57.620 0.451 1.00 8.08 N ANISOU 2738 N ALA A 201 706 1630 735 -58 208 212 N ATOM 2739 CA ALA A 201 38.968 57.008 -0.548 1.00 8.09 C ANISOU 2739 CA ALA A 201 799 1581 694 40 152 201 C ATOM 2740 C ALA A 201 39.408 58.065 -1.550 1.00 9.60 C ANISOU 2740 C ALA A 201 941 1717 990 -369 263 211 C ATOM 2741 O ALA A 201 38.906 59.171 -1.600 1.00 11.08 O ANISOU 2741 O ALA A 201 1281 1716 1213 -339 522 129 O ATOM 2742 CB ALA A 201 38.178 55.897 -1.209 1.00 8.00 C ANISOU 2742 CB ALA A 201 894 1366 781 -17 162 -68 C ATOM 0 H ALA A 201 37.343 57.879 0.157 1.00 8.08 H new ATOM 0 HA ALA A 201 39.771 56.635 -0.151 1.00 8.09 H new ATOM 0 HB1 ALA A 201 38.726 55.467 -1.884 1.00 8.00 H new ATOM 0 HB2 ALA A 201 37.916 55.244 -0.541 1.00 8.00 H new ATOM 0 HB3 ALA A 201 37.385 56.268 -1.626 1.00 8.00 H new ATOM 2748 N SER A 202 40.340 57.717 -2.431 1.00 10.69 N ANISOU 2748 N SER A 202 1406 1758 896 -457 427 -300 N ATOM 2749 CA SER A 202 40.825 58.691 -3.395 1.00 12.60 C ANISOU 2749 CA SER A 202 1811 1933 1043 -586 548 -125 C ATOM 2750 C SER A 202 41.279 58.033 -4.699 1.00 12.12 C ANISOU 2750 C SER A 202 1453 2121 1032 -427 499 -120 C ATOM 2751 O SER A 202 42.046 58.635 -5.437 1.00 15.74 O ANISOU 2751 O SER A 202 2025 2548 1407 -998 869 -403 O ATOM 2752 CB SER A 202 42.006 59.488 -2.825 1.00 16.99 C ANISOU 2752 CB SER A 202 2319 2511 1627 -1122 551 -438 C ATOM 2753 OG SER A 202 42.989 58.577 -2.390 1.00 22.90 O ANISOU 2753 OG SER A 202 2133 3955 2614 -1174 -136 432 O ATOM 0 H SER A 202 40.698 56.937 -2.486 1.00 10.69 H new ATOM 0 HA SER A 202 40.079 59.282 -3.580 1.00 12.60 H new ATOM 0 HB2 SER A 202 42.371 60.081 -3.501 1.00 16.99 H new ATOM 0 HB3 SER A 202 41.712 60.045 -2.087 1.00 16.99 H new ATOM 0 HG SER A 202 43.338 58.202 -3.056 1.00 22.90 H new ATOM 2758 N ASP A 203 40.831 56.808 -4.990 1.00 12.05 N ANISOU 2758 N ASP A 203 1481 2056 1041 -403 722 -146 N ATOM 2759 CA ASP A 203 41.223 56.113 -6.194 1.00 13.05 C ANISOU 2759 CA ASP A 203 1333 2331 1295 -74 430 -388 C ATOM 2760 C ASP A 203 40.739 56.778 -7.481 1.00 14.86 C ANISOU 2760 C ASP A 203 1830 2693 1122 -101 329 -348 C ATOM 2761 O ASP A 203 41.266 56.383 -8.549 1.00 19.63 O ANISOU 2761 O ASP A 203 2312 3778 1367 -164 697 -493 O ATOM 2762 CB ASP A 203 40.768 54.659 -6.094 1.00 13.14 C ANISOU 2762 CB ASP A 203 1199 2360 1435 -161 273 -498 C ATOM 2763 CG ASP A 203 39.287 54.520 -5.903 1.00 12.76 C ANISOU 2763 CG ASP A 203 1232 2436 1180 -103 180 -143 C ATOM 2764 OD1 ASP A 203 38.831 54.758 -4.764 1.00 11.76 O ANISOU 2764 OD1 ASP A 203 1103 2032 1333 -18 189 -357 O ATOM 2765 OD2 ASP A 203 38.575 54.218 -6.868 1.00 14.85 O ANISOU 2765 OD2 ASP A 203 1396 2920 1325 -483 136 -346 O ATOM 0 H ASP A 203 40.291 56.365 -4.488 1.00 12.05 H new ATOM 0 HA ASP A 203 42.190 56.152 -6.256 1.00 13.05 H new ATOM 0 HB2 ASP A 203 41.031 54.187 -6.900 1.00 13.14 H new ATOM 0 HB3 ASP A 203 41.226 54.232 -5.353 1.00 13.14 H new ATOM 2770 N THR A 204 39.826 57.738 -7.471 1.00 16.69 N ANISOU 2770 N THR A 204 2104 2795 1443 45 198 -70 N ATOM 2771 CA THR A 204 39.390 58.466 -8.661 1.00 19.81 C ANISOU 2771 CA THR A 204 2777 2793 1959 -34 185 341 C ATOM 2772 C THR A 204 40.272 59.671 -8.971 1.00 23.62 C ANISOU 2772 C THR A 204 3369 3018 2588 -353 238 465 C ATOM 2773 O THR A 204 39.953 60.324 -9.979 1.00 26.44 O ANISOU 2773 O THR A 204 4129 3471 2447 -622 396 772 O ATOM 2774 CB THR A 204 37.930 58.952 -8.527 1.00 20.91 C ANISOU 2774 CB THR A 204 2794 2934 2216 182 -387 150 C ATOM 2775 OG1 THR A 204 37.835 59.635 -7.253 1.00 25.24 O ANISOU 2775 OG1 THR A 204 3474 3826 2290 267 556 -17 O ATOM 2776 CG2 THR A 204 36.996 57.767 -8.477 1.00 27.53 C ANISOU 2776 CG2 THR A 204 2894 3968 3596 -452 -10 281 C ATOM 0 H THR A 204 39.429 57.994 -6.752 1.00 16.69 H new ATOM 0 HA THR A 204 39.462 57.831 -9.391 1.00 19.81 H new ATOM 0 HB THR A 204 37.693 59.521 -9.276 1.00 20.91 H new ATOM 0 HG1 THR A 204 37.835 60.465 -7.379 1.00 25.24 H new ATOM 0 HG21 THR A 204 36.081 58.079 -8.393 1.00 27.53 H new ATOM 0 HG22 THR A 204 37.087 57.249 -9.292 1.00 27.53 H new ATOM 0 HG23 THR A 204 37.219 57.211 -7.714 1.00 27.53 H new ATOM 2783 N GLY A 205 41.288 59.888 -8.159 1.00 21.65 N ANISOU 2783 N GLY A 205 2963 2901 2360 -441 709 292 N ATOM 2784 CA GLY A 205 42.191 61.010 -8.163 1.00 21.80 C ANISOU 2784 CA GLY A 205 2642 2988 2651 -300 1070 265 C ATOM 2785 C GLY A 205 41.714 62.119 -7.266 1.00 21.50 C ANISOU 2785 C GLY A 205 2525 2943 2700 -560 998 152 C ATOM 2786 O GLY A 205 42.354 63.164 -7.209 1.00 25.07 O ANISOU 2786 O GLY A 205 3188 3153 3183 -929 1037 78 O ATOM 0 H GLY A 205 41.482 59.329 -7.535 1.00 21.65 H new ATOM 0 HA2 GLY A 205 43.070 60.718 -7.875 1.00 21.80 H new ATOM 0 HA3 GLY A 205 42.285 61.345 -9.068 1.00 21.80 H new ATOM 2790 N SER A 206 40.601 61.941 -6.566 1.00 19.88 N ANISOU 2790 N SER A 206 2728 3043 1781 -451 885 298 N ATOM 2791 CA SER A 206 40.007 62.960 -5.716 1.00 19.61 C ANISOU 2791 CA SER A 206 2739 2738 1974 -344 815 445 C ATOM 2792 C SER A 206 39.364 62.296 -4.475 1.00 14.95 C ANISOU 2792 C SER A 206 1635 2279 1768 -357 530 148 C ATOM 2793 O SER A 206 38.956 61.150 -4.588 1.00 17.94 O ANISOU 2793 O SER A 206 2402 2668 1745 -976 325 -157 O ATOM 2794 CB SER A 206 38.949 63.747 -6.501 1.00 23.29 C ANISOU 2794 CB SER A 206 3323 3411 2114 73 790 771 C ATOM 2795 OG SER A 206 37.916 62.858 -6.933 1.00 28.86 O ANISOU 2795 OG SER A 206 3487 4340 3140 228 -149 198 O ATOM 0 H SER A 206 40.159 61.203 -6.573 1.00 19.88 H new ATOM 0 HA SER A 206 40.699 63.573 -5.424 1.00 19.61 H new ATOM 0 HB2 SER A 206 38.574 64.448 -5.944 1.00 23.29 H new ATOM 0 HB3 SER A 206 39.357 64.181 -7.267 1.00 23.29 H new ATOM 0 HG SER A 206 37.219 63.000 -6.486 1.00 28.86 H new ATOM 2800 N THR A 207 39.273 63.003 -3.371 1.00 13.71 N ANISOU 2800 N THR A 207 1316 2055 1838 -403 453 176 N ATOM 2801 CA THR A 207 38.731 62.454 -2.138 1.00 12.32 C ANISOU 2801 CA THR A 207 1282 1703 1695 -378 414 73 C ATOM 2802 C THR A 207 37.211 62.326 -2.272 1.00 10.81 C ANISOU 2802 C THR A 207 1250 1536 1320 -188 343 -13 C ATOM 2803 O THR A 207 36.527 63.229 -2.716 1.00 12.27 O ANISOU 2803 O THR A 207 1656 1752 1255 48 352 75 O ATOM 2804 CB THR A 207 39.038 63.382 -0.952 1.00 13.74 C ANISOU 2804 CB THR A 207 1565 1889 1765 -560 -16 179 C ATOM 2805 OG1 THR A 207 40.457 63.398 -0.787 1.00 16.94 O ANISOU 2805 OG1 THR A 207 1512 2922 2002 -763 163 123 O ATOM 2806 CG2 THR A 207 38.427 62.892 0.348 1.00 15.20 C ANISOU 2806 CG2 THR A 207 1564 2560 1651 -469 239 -139 C ATOM 0 H THR A 207 39.525 63.823 -3.309 1.00 13.71 H new ATOM 0 HA THR A 207 39.137 61.587 -1.980 1.00 12.32 H new ATOM 0 HB THR A 207 38.665 64.257 -1.143 1.00 13.74 H new ATOM 0 HG1 THR A 207 40.684 62.793 -0.250 1.00 16.94 H new ATOM 0 HG21 THR A 207 38.648 63.509 1.063 1.00 15.20 H new ATOM 0 HG22 THR A 207 37.463 62.840 0.253 1.00 15.20 H new ATOM 0 HG23 THR A 207 38.778 62.013 0.560 1.00 15.20 H new ATOM 2813 N TYR A 208 36.701 61.190 -1.826 1.00 10.01 N ANISOU 2813 N TYR A 208 1177 1592 1034 -282 228 -32 N ATOM 2814 CA TYR A 208 35.251 60.988 -1.723 1.00 9.04 C ANISOU 2814 CA TYR A 208 1101 1440 895 -87 212 -82 C ATOM 2815 C TYR A 208 34.929 60.086 -0.538 1.00 8.33 C ANISOU 2815 C TYR A 208 953 1345 867 40 228 181 C ATOM 2816 O TYR A 208 35.782 59.358 -0.001 1.00 8.33 O ANISOU 2816 O TYR A 208 745 1544 875 35 144 155 O ATOM 2817 CB TYR A 208 34.689 60.424 -3.041 1.00 9.52 C ANISOU 2817 CB TYR A 208 1106 1649 864 -57 290 -127 C ATOM 2818 CG TYR A 208 35.140 59.023 -3.371 1.00 8.85 C ANISOU 2818 CG TYR A 208 987 1626 748 -100 196 167 C ATOM 2819 CD1 TYR A 208 34.395 57.948 -2.980 1.00 8.93 C ANISOU 2819 CD1 TYR A 208 779 1690 923 -156 24 173 C ATOM 2820 CD2 TYR A 208 36.328 58.814 -4.058 1.00 9.73 C ANISOU 2820 CD2 TYR A 208 1031 1720 948 -22 286 -111 C ATOM 2821 CE1 TYR A 208 34.777 56.653 -3.258 1.00 8.81 C ANISOU 2821 CE1 TYR A 208 776 1653 919 -115 -151 -69 C ATOM 2822 CE2 TYR A 208 36.702 57.504 -4.343 1.00 9.51 C ANISOU 2822 CE2 TYR A 208 1048 1744 820 -13 248 -199 C ATOM 2823 CZ TYR A 208 35.971 56.421 -3.949 1.00 9.11 C ANISOU 2823 CZ TYR A 208 967 1707 787 -30 -76 148 C ATOM 2824 OH TYR A 208 36.310 55.123 -4.229 1.00 10.44 O ANISOU 2824 OH TYR A 208 1228 1757 980 -132 145 -262 O ATOM 0 H TYR A 208 37.173 60.516 -1.575 1.00 10.01 H new ATOM 0 HA TYR A 208 34.822 61.844 -1.568 1.00 9.04 H new ATOM 0 HB2 TYR A 208 33.720 60.437 -2.997 1.00 9.52 H new ATOM 0 HB3 TYR A 208 34.948 61.013 -3.767 1.00 9.52 H new ATOM 0 HD1 TYR A 208 33.605 58.094 -2.511 1.00 8.93 H new ATOM 0 HD2 TYR A 208 36.860 59.530 -4.321 1.00 9.73 H new ATOM 0 HE1 TYR A 208 34.245 55.939 -2.988 1.00 8.81 H new ATOM 0 HE2 TYR A 208 37.485 57.360 -4.823 1.00 9.51 H new ATOM 0 HH TYR A 208 37.069 55.103 -4.588 1.00 10.44 H new ATOM 2833 N LEU A 209 33.663 60.144 -0.118 1.00 7.90 N ANISOU 2833 N LEU A 209 823 1411 769 -48 36 -50 N ATOM 2834 CA LEU A 209 33.177 59.345 0.984 1.00 8.03 C ANISOU 2834 CA LEU A 209 966 1371 714 14 69 -10 C ATOM 2835 C LEU A 209 32.846 57.929 0.546 1.00 8.06 C ANISOU 2835 C LEU A 209 947 1427 688 -64 -18 106 C ATOM 2836 O LEU A 209 31.823 57.724 -0.115 1.00 9.95 O ANISOU 2836 O LEU A 209 986 1740 1053 76 -226 250 O ATOM 2837 CB LEU A 209 31.932 60.041 1.575 1.00 8.95 C ANISOU 2837 CB LEU A 209 1020 1524 856 96 176 18 C ATOM 2838 CG LEU A 209 31.433 59.376 2.857 1.00 8.72 C ANISOU 2838 CG LEU A 209 897 1507 907 -251 161 163 C ATOM 2839 CD1 LEU A 209 32.366 59.596 4.015 1.00 9.52 C ANISOU 2839 CD1 LEU A 209 1107 1738 770 -35 133 -338 C ATOM 2840 CD2 LEU A 209 30.051 59.976 3.181 1.00 11.24 C ANISOU 2840 CD2 LEU A 209 1030 2186 1053 11 259 -138 C ATOM 0 H LEU A 209 33.067 60.653 -0.472 1.00 7.90 H new ATOM 0 HA LEU A 209 33.871 59.273 1.658 1.00 8.03 H new ATOM 0 HB2 LEU A 209 32.143 60.970 1.759 1.00 8.95 H new ATOM 0 HB3 LEU A 209 31.221 60.036 0.915 1.00 8.95 H new ATOM 0 HG LEU A 209 31.383 58.417 2.717 1.00 8.72 H new ATOM 0 HD11 LEU A 209 32.011 59.158 4.804 1.00 9.52 H new ATOM 0 HD12 LEU A 209 33.237 59.225 3.804 1.00 9.52 H new ATOM 0 HD13 LEU A 209 32.453 60.547 4.185 1.00 9.52 H new ATOM 0 HD21 LEU A 209 29.705 59.573 3.993 1.00 11.24 H new ATOM 0 HD22 LEU A 209 30.135 60.934 3.307 1.00 11.24 H new ATOM 0 HD23 LEU A 209 29.441 59.799 2.448 1.00 11.24 H new ATOM 2852 N ALA A 210 33.649 56.959 0.943 1.00 7.05 N ANISOU 2852 N ALA A 210 618 1391 669 -141 104 -78 N ATOM 2853 CA ALA A 210 33.466 55.579 0.541 1.00 7.34 C ANISOU 2853 CA ALA A 210 741 1450 598 -68 118 133 C ATOM 2854 C ALA A 210 32.778 54.741 1.611 1.00 6.93 C ANISOU 2854 C ALA A 210 662 1418 553 -117 67 184 C ATOM 2855 O ALA A 210 32.139 53.754 1.246 1.00 7.35 O ANISOU 2855 O ALA A 210 729 1452 611 -105 95 234 O ATOM 2856 CB ALA A 210 34.799 54.947 0.129 1.00 8.07 C ANISOU 2856 CB ALA A 210 814 1479 775 -46 161 189 C ATOM 0 H ALA A 210 34.324 57.085 1.460 1.00 7.05 H new ATOM 0 HA ALA A 210 32.876 55.590 -0.229 1.00 7.34 H new ATOM 0 HB1 ALA A 210 34.652 54.025 -0.136 1.00 8.07 H new ATOM 0 HB2 ALA A 210 35.175 55.441 -0.616 1.00 8.07 H new ATOM 0 HB3 ALA A 210 35.415 54.974 0.878 1.00 8.07 H new ATOM 2862 N GLY A 211 32.892 55.112 2.873 1.00 6.97 N ANISOU 2862 N GLY A 211 603 1497 549 -202 94 160 N ATOM 2863 CA GLY A 211 32.285 54.290 3.918 1.00 7.34 C ANISOU 2863 CA GLY A 211 765 1428 595 -307 212 202 C ATOM 2864 C GLY A 211 31.877 55.154 5.110 1.00 6.35 C ANISOU 2864 C GLY A 211 615 1279 521 -160 61 -87 C ATOM 2865 O GLY A 211 32.368 56.287 5.292 1.00 7.31 O ANISOU 2865 O GLY A 211 681 1314 783 -288 192 136 O ATOM 0 H GLY A 211 33.304 55.816 3.147 1.00 6.97 H new ATOM 0 HA2 GLY A 211 31.508 53.830 3.564 1.00 7.34 H new ATOM 0 HA3 GLY A 211 32.912 53.608 4.206 1.00 7.34 H new ATOM 2869 N ILE A 212 31.044 54.543 5.936 1.00 5.79 N ANISOU 2869 N ILE A 212 573 1095 533 -277 96 292 N ATOM 2870 CA ILE A 212 30.582 55.125 7.196 1.00 6.17 C ANISOU 2870 CA ILE A 212 613 1188 543 -247 118 234 C ATOM 2871 C ILE A 212 30.888 54.122 8.287 1.00 5.82 C ANISOU 2871 C ILE A 212 384 1317 512 -130 189 220 C ATOM 2872 O ILE A 212 30.503 52.962 8.183 1.00 6.49 O ANISOU 2872 O ILE A 212 545 1317 604 -122 68 164 O ATOM 2873 CB ILE A 212 29.067 55.395 7.156 1.00 6.27 C ANISOU 2873 CB ILE A 212 651 1015 717 -149 80 268 C ATOM 2874 CG1 ILE A 212 28.686 56.348 6.008 1.00 7.30 C ANISOU 2874 CG1 ILE A 212 810 1196 767 -41 119 169 C ATOM 2875 CG2 ILE A 212 28.580 55.909 8.511 1.00 7.71 C ANISOU 2875 CG2 ILE A 212 1000 1193 735 -65 294 -190 C ATOM 2876 CD1 ILE A 212 27.186 56.344 5.742 1.00 9.04 C ANISOU 2876 CD1 ILE A 212 786 1707 943 21 81 157 C ATOM 0 H ILE A 212 30.721 53.761 5.781 1.00 5.79 H new ATOM 0 HA ILE A 212 31.028 55.972 7.355 1.00 6.17 H new ATOM 0 HB ILE A 212 28.616 54.555 6.976 1.00 6.27 H new ATOM 0 HG12 ILE A 212 28.973 57.248 6.227 1.00 7.30 H new ATOM 0 HG13 ILE A 212 29.158 56.088 5.202 1.00 7.30 H new ATOM 0 HG21 ILE A 212 27.625 56.074 8.470 1.00 7.71 H new ATOM 0 HG22 ILE A 212 28.764 55.245 9.194 1.00 7.71 H new ATOM 0 HG23 ILE A 212 29.042 56.734 8.729 1.00 7.71 H new ATOM 0 HD11 ILE A 212 26.984 56.954 5.015 1.00 9.04 H new ATOM 0 HD12 ILE A 212 26.902 55.448 5.500 1.00 9.04 H new ATOM 0 HD13 ILE A 212 26.715 56.627 6.541 1.00 9.04 H new ATOM 2888 N VAL A 213 31.597 54.544 9.332 1.00 6.39 N ANISOU 2888 N VAL A 213 625 1304 498 -80 152 264 N ATOM 2889 CA VAL A 213 31.930 53.586 10.402 1.00 6.82 C ANISOU 2889 CA VAL A 213 678 1470 442 -126 171 204 C ATOM 2890 C VAL A 213 30.692 52.941 10.982 1.00 6.91 C ANISOU 2890 C VAL A 213 636 1503 486 -194 113 248 C ATOM 2891 O VAL A 213 29.741 53.635 11.352 1.00 7.75 O ANISOU 2891 O VAL A 213 619 1730 598 -112 164 299 O ATOM 2892 CB VAL A 213 32.676 54.299 11.548 1.00 6.71 C ANISOU 2892 CB VAL A 213 597 1394 558 -149 147 288 C ATOM 2893 CG1 VAL A 213 33.008 53.377 12.713 1.00 8.94 C ANISOU 2893 CG1 VAL A 213 777 2117 503 110 114 142 C ATOM 2894 CG2 VAL A 213 33.962 54.975 11.058 1.00 9.64 C ANISOU 2894 CG2 VAL A 213 784 1956 922 -405 322 440 C ATOM 0 H VAL A 213 31.887 55.345 9.445 1.00 6.39 H new ATOM 0 HA VAL A 213 32.490 52.902 10.002 1.00 6.82 H new ATOM 0 HB VAL A 213 32.058 54.975 11.869 1.00 6.71 H new ATOM 0 HG11 VAL A 213 33.474 53.878 13.400 1.00 8.94 H new ATOM 0 HG12 VAL A 213 32.188 53.011 13.080 1.00 8.94 H new ATOM 0 HG13 VAL A 213 33.573 52.653 12.402 1.00 8.94 H new ATOM 0 HG21 VAL A 213 34.403 55.412 11.804 1.00 9.64 H new ATOM 0 HG22 VAL A 213 34.555 54.307 10.679 1.00 9.64 H new ATOM 0 HG23 VAL A 213 33.743 55.634 10.381 1.00 9.64 H new ATOM 2904 N SER A 214 30.681 51.618 11.060 1.00 7.40 N ANISOU 2904 N SER A 214 674 1547 592 -137 122 -30 N ATOM 2905 CA SER A 214 29.485 50.867 11.487 1.00 7.69 C ANISOU 2905 CA SER A 214 779 1476 665 -158 187 -36 C ATOM 2906 C SER A 214 29.762 49.920 12.646 1.00 7.47 C ANISOU 2906 C SER A 214 893 1407 539 -28 251 133 C ATOM 2907 O SER A 214 29.224 50.105 13.760 1.00 10.31 O ANISOU 2907 O SER A 214 1137 2070 711 157 522 70 O ATOM 2908 CB SER A 214 28.894 50.139 10.288 1.00 7.35 C ANISOU 2908 CB SER A 214 695 1393 703 -153 125 49 C ATOM 2909 OG SER A 214 27.637 49.534 10.587 1.00 9.05 O ANISOU 2909 OG SER A 214 720 1673 1047 -271 134 136 O ATOM 0 H SER A 214 31.358 51.123 10.870 1.00 7.40 H new ATOM 0 HA SER A 214 28.836 51.503 11.826 1.00 7.69 H new ATOM 0 HB2 SER A 214 28.783 50.765 9.555 1.00 7.35 H new ATOM 0 HB3 SER A 214 29.515 49.457 9.988 1.00 7.35 H new ATOM 0 HG SER A 214 27.067 50.132 10.741 1.00 9.05 H new ATOM 2914 N TRP A 215 30.542 48.884 12.500 1.00 7.54 N ANISOU 2914 N TRP A 215 749 1546 571 -22 91 130 N ATOM 2915 CA TRP A 215 30.662 47.834 13.531 1.00 7.83 C ANISOU 2915 CA TRP A 215 713 1547 715 -85 74 -40 C ATOM 2916 C TRP A 215 31.955 47.069 13.371 1.00 7.68 C ANISOU 2916 C TRP A 215 813 1453 651 -72 141 48 C ATOM 2917 O TRP A 215 32.691 47.191 12.388 1.00 8.83 O ANISOU 2917 O TRP A 215 796 1866 694 11 194 86 O ATOM 2918 CB TRP A 215 29.469 46.930 13.494 1.00 8.01 C ANISOU 2918 CB TRP A 215 845 1529 668 -59 161 103 C ATOM 2919 CG TRP A 215 29.214 46.132 12.261 1.00 7.68 C ANISOU 2919 CG TRP A 215 736 1559 621 -29 87 119 C ATOM 2920 CD1 TRP A 215 28.453 46.565 11.180 1.00 7.73 C ANISOU 2920 CD1 TRP A 215 742 1402 792 -121 42 63 C ATOM 2921 CD2 TRP A 215 29.633 44.801 11.956 1.00 7.60 C ANISOU 2921 CD2 TRP A 215 786 1461 640 -118 151 62 C ATOM 2922 NE1 TRP A 215 28.421 45.549 10.234 1.00 8.01 N ANISOU 2922 NE1 TRP A 215 747 1599 696 -206 15 -33 N ATOM 2923 CE2 TRP A 215 29.118 44.479 10.677 1.00 7.56 C ANISOU 2923 CE2 TRP A 215 877 1384 612 -291 258 -21 C ATOM 2924 CE3 TRP A 215 30.395 43.834 12.613 1.00 8.96 C ANISOU 2924 CE3 TRP A 215 843 1582 981 36 93 64 C ATOM 2925 CZ2 TRP A 215 29.340 43.246 10.065 1.00 9.85 C ANISOU 2925 CZ2 TRP A 215 1155 1555 1031 -132 121 -164 C ATOM 2926 CZ3 TRP A 215 30.627 42.619 12.022 1.00 9.49 C ANISOU 2926 CZ3 TRP A 215 872 1620 1113 -19 313 60 C ATOM 2927 CH2 TRP A 215 30.111 42.328 10.763 1.00 10.06 C ANISOU 2927 CH2 TRP A 215 1187 1537 1101 -101 267 43 C ATOM 0 H TRP A 215 31.029 48.749 11.804 1.00 7.54 H new ATOM 0 HA TRP A 215 30.685 48.255 14.405 1.00 7.83 H new ATOM 0 HB2 TRP A 215 29.547 46.309 14.235 1.00 8.01 H new ATOM 0 HB3 TRP A 215 28.683 47.473 13.661 1.00 8.01 H new ATOM 0 HD1 TRP A 215 28.037 47.393 11.104 1.00 7.73 H new ATOM 0 HE1 TRP A 215 28.017 45.594 9.476 1.00 8.01 H new ATOM 0 HE3 TRP A 215 30.747 44.014 13.455 1.00 8.96 H new ATOM 0 HZ2 TRP A 215 28.987 43.048 9.227 1.00 9.85 H new ATOM 0 HZ3 TRP A 215 31.136 41.981 12.468 1.00 9.49 H new ATOM 0 HH2 TRP A 215 30.287 41.499 10.381 1.00 10.06 H new ATOM 2938 N GLY A 216 32.241 46.220 14.355 1.00 8.84 N ANISOU 2938 N GLY A 216 934 1627 796 -24 111 177 N ATOM 2939 CA GLY A 216 33.308 45.248 14.295 1.00 8.99 C ANISOU 2939 CA GLY A 216 937 1806 674 92 30 138 C ATOM 2940 C GLY A 216 33.299 44.351 15.512 1.00 8.97 C ANISOU 2940 C GLY A 216 927 1791 689 122 108 86 C ATOM 2941 O GLY A 216 32.533 44.617 16.461 1.00 10.20 O ANISOU 2941 O GLY A 216 1182 1957 735 96 222 155 O ATOM 0 H GLY A 216 31.802 46.199 15.094 1.00 8.84 H new ATOM 0 HA2 GLY A 216 33.215 44.710 13.493 1.00 8.99 H new ATOM 0 HA3 GLY A 216 34.162 45.704 14.233 1.00 8.99 H new ATOM 2945 N TYR A 217 34.135 43.327 15.495 1.00 9.60 N ANISOU 2945 N TYR A 217 1036 1941 668 183 94 206 N ATOM 2946 CA TYR A 217 34.375 42.569 16.719 1.00 10.43 C ANISOU 2946 CA TYR A 217 1082 1976 904 -63 -104 343 C ATOM 2947 C TYR A 217 35.546 43.226 17.437 1.00 11.37 C ANISOU 2947 C TYR A 217 1069 2378 874 -14 -44 105 C ATOM 2948 O TYR A 217 36.687 43.127 16.963 1.00 11.74 O ANISOU 2948 O TYR A 217 1038 2476 945 -160 84 203 O ATOM 2949 CB TYR A 217 34.693 41.131 16.400 1.00 10.56 C ANISOU 2949 CB TYR A 217 930 1912 1171 -102 116 455 C ATOM 2950 CG TYR A 217 35.117 40.298 17.585 1.00 10.67 C ANISOU 2950 CG TYR A 217 1000 2001 1051 30 -36 292 C ATOM 2951 CD1 TYR A 217 34.503 40.419 18.814 1.00 13.24 C ANISOU 2951 CD1 TYR A 217 1584 2361 1086 368 129 324 C ATOM 2952 CD2 TYR A 217 36.151 39.396 17.433 1.00 12.78 C ANISOU 2952 CD2 TYR A 217 1167 2314 1374 286 -25 296 C ATOM 2953 CE1 TYR A 217 34.919 39.641 19.885 1.00 15.07 C ANISOU 2953 CE1 TYR A 217 2108 2497 1121 190 12 474 C ATOM 2954 CE2 TYR A 217 36.581 38.612 18.486 1.00 15.58 C ANISOU 2954 CE2 TYR A 217 1564 2589 1768 450 -207 555 C ATOM 2955 CZ TYR A 217 35.963 38.755 19.692 1.00 15.97 C ANISOU 2955 CZ TYR A 217 1905 2694 1470 312 -367 608 C ATOM 2956 OH TYR A 217 36.409 37.930 20.728 1.00 22.77 O ANISOU 2956 OH TYR A 217 3150 3550 1952 640 -553 1083 O ATOM 0 H TYR A 217 34.567 43.055 14.803 1.00 9.60 H new ATOM 0 HA TYR A 217 33.584 42.572 17.280 1.00 10.43 H new ATOM 0 HB2 TYR A 217 33.911 40.722 15.996 1.00 10.56 H new ATOM 0 HB3 TYR A 217 35.400 41.109 15.736 1.00 10.56 H new ATOM 0 HD1 TYR A 217 33.807 41.025 18.926 1.00 13.24 H new ATOM 0 HD2 TYR A 217 36.566 39.315 16.605 1.00 12.78 H new ATOM 0 HE1 TYR A 217 34.505 39.714 20.714 1.00 15.07 H new ATOM 0 HE2 TYR A 217 37.274 38.002 18.375 1.00 15.58 H new ATOM 0 HH TYR A 217 35.763 37.733 21.227 1.00 22.77 H new ATOM 2965 N GLY A 218 35.233 43.869 18.542 1.00 10.83 N ANISOU 2965 N GLY A 218 1123 2094 899 -16 -10 133 N ATOM 2966 CA GLY A 218 36.275 44.653 19.210 1.00 11.46 C ANISOU 2966 CA GLY A 218 1004 2358 992 -97 70 88 C ATOM 2967 C GLY A 218 36.776 45.741 18.287 1.00 11.22 C ANISOU 2967 C GLY A 218 1202 2141 919 -79 171 -29 C ATOM 2968 O GLY A 218 36.049 46.272 17.439 1.00 11.53 O ANISOU 2968 O GLY A 218 1037 2280 1065 -93 174 78 O ATOM 0 H GLY A 218 34.459 43.873 18.917 1.00 10.83 H new ATOM 0 HA2 GLY A 218 35.923 45.046 20.024 1.00 11.46 H new ATOM 0 HA3 GLY A 218 37.009 44.075 19.469 1.00 11.46 H new ATOM 2972 N CYS A 219 38.057 46.084 18.450 1.00 10.96 N ANISOU 2972 N CYS A 219 1134 2018 1012 18 129 148 N ATOM 2973 CA CYS A 219 38.677 47.050 17.566 1.00 11.80 C ANISOU 2973 CA CYS A 219 1056 2235 1193 -41 8 347 C ATOM 2974 C CYS A 219 40.109 46.644 17.335 1.00 11.81 C ANISOU 2974 C CYS A 219 1089 2396 1002 -113 -15 -62 C ATOM 2975 O CYS A 219 40.774 46.312 18.301 1.00 12.13 O ANISOU 2975 O CYS A 219 1154 2414 1040 138 -88 2 O ATOM 2976 CB CYS A 219 38.727 48.454 18.206 1.00 14.49 C ANISOU 2976 CB CYS A 219 1467 2052 1989 23 426 424 C ATOM 2977 SG CYS A 219 37.126 49.021 18.819 1.00 15.91 S ANISOU 2977 SG CYS A 219 1474 2851 1722 -39 293 -191 S ATOM 0 H CYS A 219 38.573 45.768 19.062 1.00 10.96 H new ATOM 0 HA CYS A 219 38.156 47.075 16.748 1.00 11.80 H new ATOM 0 HB2 CYS A 219 39.362 48.445 18.939 1.00 14.49 H new ATOM 0 HB3 CYS A 219 39.058 49.089 17.552 1.00 14.49 H new ATOM 2982 N ALA A 220 40.569 46.738 16.107 1.00 10.41 N ANISOU 2982 N ALA A 220 934 2106 915 40 -181 -22 N ATOM 2983 CA ALA A 220 41.950 46.547 15.709 1.00 10.83 C ANISOU 2983 CA ALA A 220 966 1985 1162 -48 -30 27 C ATOM 2984 C ALA A 220 42.445 45.140 16.002 1.00 10.46 C ANISOU 2984 C ALA A 220 899 2016 1059 4 -198 26 C ATOM 2985 O ALA A 220 43.680 44.947 16.040 1.00 12.36 O ANISOU 2985 O ALA A 220 847 2282 1565 -5 -155 130 O ATOM 2986 CB ALA A 220 42.824 47.585 16.350 1.00 11.88 C ANISOU 2986 CB ALA A 220 1055 2125 1335 -116 125 -254 C ATOM 0 H ALA A 220 40.057 46.926 15.442 1.00 10.41 H new ATOM 0 HA ALA A 220 41.998 46.657 14.746 1.00 10.83 H new ATOM 0 HB1 ALA A 220 43.744 47.447 16.077 1.00 11.88 H new ATOM 0 HB2 ALA A 220 42.534 48.468 16.073 1.00 11.88 H new ATOM 0 HB3 ALA A 220 42.759 47.512 17.315 1.00 11.88 H new ATOM 2992 N ARG A 221 41.566 44.168 16.178 1.00 10.63 N ANISOU 2992 N ARG A 221 1047 2047 946 -25 -3 68 N ATOM 2993 CA ARG A 221 42.040 42.831 16.440 1.00 11.57 C ANISOU 2993 CA ARG A 221 1188 1957 1251 -68 -200 -90 C ATOM 2994 C ARG A 221 42.588 42.191 15.173 1.00 13.18 C ANISOU 2994 C ARG A 221 1517 2250 1240 384 -5 133 C ATOM 2995 O ARG A 221 42.048 42.389 14.095 1.00 12.64 O ANISOU 2995 O ARG A 221 1473 2242 1089 112 117 377 O ATOM 2996 CB ARG A 221 40.928 41.944 17.021 1.00 12.53 C ANISOU 2996 CB ARG A 221 1382 2109 1270 -32 -87 191 C ATOM 2997 CG ARG A 221 40.425 42.472 18.358 1.00 14.39 C ANISOU 2997 CG ARG A 221 1588 2353 1527 156 158 72 C ATOM 2998 CD ARG A 221 39.241 41.601 18.786 1.00 16.01 C ANISOU 2998 CD ARG A 221 1506 2871 1704 -2 205 15 C ATOM 2999 NE ARG A 221 38.884 41.835 20.166 1.00 16.86 N ANISOU 2999 NE ARG A 221 1716 3005 1685 98 193 370 N ATOM 3000 CZ ARG A 221 38.837 41.062 21.226 1.00 18.23 C ANISOU 3000 CZ ARG A 221 2145 3053 1728 145 -58 446 C ATOM 3001 NH1 ARG A 221 39.172 39.802 21.141 1.00 21.53 N ANISOU 3001 NH1 ARG A 221 3226 2956 1999 -6 -246 377 N ATOM 3002 NH2 ARG A 221 38.442 41.624 22.360 1.00 21.28 N ANISOU 3002 NH2 ARG A 221 3035 3525 1524 393 -106 456 N ATOM 0 H ARG A 221 40.711 44.261 16.150 1.00 10.63 H new ATOM 0 HA ARG A 221 42.752 42.904 17.095 1.00 11.57 H new ATOM 0 HB2 ARG A 221 40.190 41.897 16.393 1.00 12.53 H new ATOM 0 HB3 ARG A 221 41.261 41.040 17.135 1.00 12.53 H new ATOM 0 HG2 ARG A 221 41.130 42.440 19.024 1.00 14.39 H new ATOM 0 HG3 ARG A 221 40.154 43.400 18.277 1.00 14.39 H new ATOM 0 HD2 ARG A 221 38.478 41.788 18.217 1.00 16.01 H new ATOM 0 HD3 ARG A 221 39.465 40.665 18.663 1.00 16.01 H new ATOM 0 HE ARG A 221 38.655 42.648 20.326 1.00 16.86 H new ATOM 0 HH11 ARG A 221 39.425 39.474 20.387 1.00 21.53 H new ATOM 0 HH12 ARG A 221 39.139 39.300 21.839 1.00 21.53 H new ATOM 0 HH21 ARG A 221 38.231 42.458 22.376 1.00 21.28 H new ATOM 0 HH22 ARG A 221 38.396 41.155 23.079 1.00 21.28 H new ATOM 3016 N PRO A 222 43.628 41.374 15.301 1.00 13.05 N ANISOU 3016 N PRO A 222 1540 2014 1405 280 -14 227 N ATOM 3017 CA PRO A 222 44.056 40.624 14.116 1.00 13.84 C ANISOU 3017 CA PRO A 222 1377 2138 1743 246 51 28 C ATOM 3018 C PRO A 222 42.954 39.789 13.525 1.00 14.19 C ANISOU 3018 C PRO A 222 1503 2421 1468 101 28 80 C ATOM 3019 O PRO A 222 42.294 39.049 14.242 1.00 14.03 O ANISOU 3019 O PRO A 222 1353 2414 1564 129 -21 154 O ATOM 3020 CB PRO A 222 45.176 39.721 14.694 1.00 16.07 C ANISOU 3020 CB PRO A 222 1390 2579 2138 455 -90 -89 C ATOM 3021 CG PRO A 222 45.675 40.452 15.908 1.00 16.43 C ANISOU 3021 CG PRO A 222 1496 2784 1962 344 -89 5 C ATOM 3022 CD PRO A 222 44.434 41.113 16.499 1.00 14.23 C ANISOU 3022 CD PRO A 222 1490 2193 1726 346 -189 242 C ATOM 0 HA PRO A 222 44.335 41.202 13.389 1.00 13.84 H new ATOM 0 HB2 PRO A 222 44.835 38.844 14.928 1.00 16.07 H new ATOM 0 HB3 PRO A 222 45.887 39.586 14.048 1.00 16.07 H new ATOM 0 HG2 PRO A 222 46.086 39.843 16.542 1.00 16.43 H new ATOM 0 HG3 PRO A 222 46.346 41.111 15.671 1.00 16.43 H new ATOM 0 HD2 PRO A 222 43.976 40.531 17.125 1.00 14.23 H new ATOM 0 HD3 PRO A 222 44.650 41.929 16.976 1.00 14.23 H new ATOM 3030 N GLY A 223 42.766 39.873 12.206 1.00 14.60 N ANISOU 3030 N GLY A 223 1453 2622 1471 142 96 103 N ATOM 3031 CA GLY A 223 41.737 39.047 11.561 1.00 14.70 C ANISOU 3031 CA GLY A 223 1722 2361 1504 261 34 -140 C ATOM 3032 C GLY A 223 40.310 39.527 11.664 1.00 12.74 C ANISOU 3032 C GLY A 223 1666 1845 1331 212 -280 191 C ATOM 3033 O GLY A 223 39.435 38.824 11.155 1.00 14.89 O ANISOU 3033 O GLY A 223 1880 2211 1566 209 -241 -252 O ATOM 0 H GLY A 223 43.209 40.387 11.678 1.00 14.60 H new ATOM 0 HA2 GLY A 223 41.961 38.966 10.621 1.00 14.70 H new ATOM 0 HA3 GLY A 223 41.784 38.156 11.941 1.00 14.70 H new ATOM 3037 N TYR A 224 40.121 40.696 12.264 1.00 11.23 N ANISOU 3037 N TYR A 224 1423 1746 1097 70 2 327 N ATOM 3038 CA TYR A 224 38.773 41.240 12.427 1.00 11.68 C ANISOU 3038 CA TYR A 224 1298 2019 1122 80 -116 275 C ATOM 3039 C TYR A 224 38.752 42.677 11.963 1.00 10.64 C ANISOU 3039 C TYR A 224 1160 1889 993 93 -146 107 C ATOM 3040 O TYR A 224 38.834 43.590 12.754 1.00 11.41 O ANISOU 3040 O TYR A 224 1245 2134 956 -95 -240 18 O ATOM 3041 CB TYR A 224 38.239 41.090 13.855 1.00 11.20 C ANISOU 3041 CB TYR A 224 1315 1868 1073 115 -154 192 C ATOM 3042 CG TYR A 224 38.056 39.617 14.194 1.00 11.83 C ANISOU 3042 CG TYR A 224 1265 1865 1363 154 -130 299 C ATOM 3043 CD1 TYR A 224 36.942 38.923 13.689 1.00 11.98 C ANISOU 3043 CD1 TYR A 224 1160 1973 1420 127 38 93 C ATOM 3044 CD2 TYR A 224 38.968 38.946 15.007 1.00 12.66 C ANISOU 3044 CD2 TYR A 224 1461 1855 1492 250 -247 239 C ATOM 3045 CE1 TYR A 224 36.764 37.577 13.992 1.00 12.29 C ANISOU 3045 CE1 TYR A 224 1159 2009 1503 93 -5 57 C ATOM 3046 CE2 TYR A 224 38.768 37.582 15.291 1.00 12.43 C ANISOU 3046 CE2 TYR A 224 1525 1815 1383 209 -276 204 C ATOM 3047 CZ TYR A 224 37.676 36.917 14.788 1.00 12.71 C ANISOU 3047 CZ TYR A 224 1507 2119 1204 2 -65 253 C ATOM 3048 OH TYR A 224 37.496 35.583 15.089 1.00 15.49 O ANISOU 3048 OH TYR A 224 1488 2268 2129 -185 -109 553 O ATOM 0 H TYR A 224 40.751 41.188 12.582 1.00 11.23 H new ATOM 0 HA TYR A 224 38.170 40.720 11.873 1.00 11.68 H new ATOM 0 HB2 TYR A 224 38.855 41.499 14.483 1.00 11.20 H new ATOM 0 HB3 TYR A 224 37.393 41.557 13.942 1.00 11.20 H new ATOM 0 HD1 TYR A 224 36.324 39.364 13.152 1.00 11.98 H new ATOM 0 HD2 TYR A 224 39.702 39.396 15.359 1.00 12.66 H new ATOM 0 HE1 TYR A 224 36.027 37.120 13.656 1.00 12.29 H new ATOM 0 HE2 TYR A 224 39.380 37.127 15.823 1.00 12.43 H new ATOM 0 HH TYR A 224 37.940 35.388 15.775 1.00 15.49 H new ATOM 3057 N PRO A 225 38.595 42.885 10.632 1.00 9.95 N ANISOU 3057 N PRO A 225 1077 1747 956 146 -102 15 N ATOM 3058 CA PRO A 225 38.553 44.251 10.098 1.00 9.85 C ANISOU 3058 CA PRO A 225 947 1901 893 227 -59 69 C ATOM 3059 C PRO A 225 37.353 45.014 10.612 1.00 8.45 C ANISOU 3059 C PRO A 225 799 1742 670 75 -58 169 C ATOM 3060 O PRO A 225 36.326 44.487 11.012 1.00 9.25 O ANISOU 3060 O PRO A 225 886 1623 1005 -76 -26 -66 O ATOM 3061 CB PRO A 225 38.404 44.010 8.606 1.00 12.79 C ANISOU 3061 CB PRO A 225 1928 2092 840 378 145 3 C ATOM 3062 CG PRO A 225 38.560 42.558 8.337 1.00 12.49 C ANISOU 3062 CG PRO A 225 1668 2032 1043 -149 -44 -64 C ATOM 3063 CD PRO A 225 38.495 41.830 9.606 1.00 10.68 C ANISOU 3063 CD PRO A 225 1077 1909 1073 322 -129 -70 C ATOM 0 HA PRO A 225 39.329 44.777 10.348 1.00 9.85 H new ATOM 0 HB2 PRO A 225 37.535 44.316 8.302 1.00 12.79 H new ATOM 0 HB3 PRO A 225 39.071 44.516 8.116 1.00 12.79 H new ATOM 0 HG2 PRO A 225 37.861 42.251 7.738 1.00 12.49 H new ATOM 0 HG3 PRO A 225 39.407 42.388 7.896 1.00 12.49 H new ATOM 0 HD2 PRO A 225 37.666 41.333 9.688 1.00 10.68 H new ATOM 0 HD3 PRO A 225 39.219 41.189 9.685 1.00 10.68 H new ATOM 3071 N GLY A 227 37.470 46.326 10.566 1.00 7.86 N ANISOU 3071 N GLY A 227 722 1721 545 -56 -108 73 N ATOM 3072 CA GLY A 227 36.290 47.141 10.766 1.00 7.37 C ANISOU 3072 CA GLY A 227 747 1481 573 -146 -107 136 C ATOM 3073 C GLY A 227 35.338 46.996 9.606 1.00 6.61 C ANISOU 3073 C GLY A 227 546 1472 496 -74 98 -92 C ATOM 3074 O GLY A 227 35.736 46.777 8.459 1.00 7.85 O ANISOU 3074 O GLY A 227 675 1901 407 14 152 -5 O ATOM 0 H GLY A 227 38.201 46.756 10.425 1.00 7.86 H new ATOM 0 HA2 GLY A 227 35.847 46.880 11.588 1.00 7.37 H new ATOM 0 HA3 GLY A 227 36.547 48.071 10.865 1.00 7.37 H new ATOM 3078 N VAL A 228 34.051 47.168 9.904 1.00 6.48 N ANISOU 3078 N VAL A 228 570 1564 326 -31 130 -42 N ATOM 3079 CA VAL A 228 32.986 47.087 8.914 1.00 6.54 C ANISOU 3079 CA VAL A 228 553 1550 383 3 57 56 C ATOM 3080 C VAL A 228 32.262 48.425 8.835 1.00 6.47 C ANISOU 3080 C VAL A 228 555 1586 317 -30 183 -49 C ATOM 3081 O VAL A 228 31.958 49.067 9.834 1.00 7.26 O ANISOU 3081 O VAL A 228 792 1641 324 12 105 -90 O ATOM 3082 CB VAL A 228 32.009 45.936 9.210 1.00 7.61 C ANISOU 3082 CB VAL A 228 822 1547 521 -136 31 170 C ATOM 3083 CG1 VAL A 228 31.050 45.709 8.059 1.00 8.10 C ANISOU 3083 CG1 VAL A 228 812 1582 682 18 -84 253 C ATOM 3084 CG2 VAL A 228 32.782 44.682 9.486 1.00 7.93 C ANISOU 3084 CG2 VAL A 228 895 1511 609 -219 29 134 C ATOM 0 H VAL A 228 33.771 47.337 10.699 1.00 6.48 H new ATOM 0 HA VAL A 228 33.384 46.892 8.051 1.00 6.54 H new ATOM 0 HB VAL A 228 31.484 46.178 9.989 1.00 7.61 H new ATOM 0 HG11 VAL A 228 30.450 44.979 8.277 1.00 8.10 H new ATOM 0 HG12 VAL A 228 30.534 46.516 7.903 1.00 8.10 H new ATOM 0 HG13 VAL A 228 31.551 45.487 7.259 1.00 8.10 H new ATOM 0 HG21 VAL A 228 32.166 43.956 9.673 1.00 7.93 H new ATOM 0 HG22 VAL A 228 33.321 44.457 8.712 1.00 7.93 H new ATOM 0 HG23 VAL A 228 33.360 44.820 10.253 1.00 7.93 H new ATOM 3094 N TYR A 229 31.988 48.876 7.601 1.00 6.11 N ANISOU 3094 N TYR A 229 635 1420 268 -7 111 -85 N ATOM 3095 CA TYR A 229 31.514 50.175 7.235 1.00 5.94 C ANISOU 3095 CA TYR A 229 438 1335 485 -46 22 235 C ATOM 3096 C TYR A 229 30.344 50.028 6.277 1.00 5.87 C ANISOU 3096 C TYR A 229 482 1380 369 -72 60 221 C ATOM 3097 O TYR A 229 30.295 49.083 5.492 1.00 6.93 O ANISOU 3097 O TYR A 229 473 1594 565 -55 12 421 O ATOM 3098 CB TYR A 229 32.627 50.998 6.523 1.00 6.31 C ANISOU 3098 CB TYR A 229 462 1432 505 -79 202 204 C ATOM 3099 CG TYR A 229 33.891 51.164 7.373 1.00 6.32 C ANISOU 3099 CG TYR A 229 534 1389 477 -166 151 139 C ATOM 3100 CD1 TYR A 229 34.162 52.373 7.971 1.00 6.50 C ANISOU 3100 CD1 TYR A 229 454 1349 667 -182 191 112 C ATOM 3101 CD2 TYR A 229 34.798 50.140 7.579 1.00 6.35 C ANISOU 3101 CD2 TYR A 229 530 1398 487 -133 200 151 C ATOM 3102 CE1 TYR A 229 35.287 52.562 8.722 1.00 7.54 C ANISOU 3102 CE1 TYR A 229 610 1423 834 -253 13 152 C ATOM 3103 CE2 TYR A 229 35.931 50.301 8.377 1.00 6.71 C ANISOU 3103 CE2 TYR A 229 606 1524 418 -78 174 120 C ATOM 3104 CZ TYR A 229 36.139 51.545 8.963 1.00 7.51 C ANISOU 3104 CZ TYR A 229 712 1598 543 -118 -48 160 C ATOM 3105 OH TYR A 229 37.267 51.732 9.768 1.00 8.71 O ANISOU 3105 OH TYR A 229 696 1878 736 -229 -83 168 O ATOM 0 H TYR A 229 32.090 48.371 6.913 1.00 6.11 H new ATOM 0 HA TYR A 229 31.245 50.638 8.044 1.00 5.94 H new ATOM 0 HB2 TYR A 229 32.860 50.562 5.689 1.00 6.31 H new ATOM 0 HB3 TYR A 229 32.279 51.875 6.297 1.00 6.31 H new ATOM 0 HD1 TYR A 229 33.565 53.078 7.861 1.00 6.50 H new ATOM 0 HD2 TYR A 229 34.648 49.317 7.172 1.00 6.35 H new ATOM 0 HE1 TYR A 229 35.468 53.404 9.072 1.00 7.54 H new ATOM 0 HE2 TYR A 229 36.527 49.600 8.513 1.00 6.71 H new ATOM 0 HH TYR A 229 37.743 51.040 9.749 1.00 8.71 H new ATOM 3114 N THR A 230 29.407 50.962 6.364 1.00 6.38 N ANISOU 3114 N THR A 230 439 1439 547 -71 19 147 N ATOM 3115 CA THR A 230 28.400 51.037 5.312 1.00 6.58 C ANISOU 3115 CA THR A 230 429 1475 596 -62 -4 129 C ATOM 3116 C THR A 230 29.095 51.517 4.030 1.00 6.97 C ANISOU 3116 C THR A 230 541 1508 599 -238 -50 107 C ATOM 3117 O THR A 230 29.790 52.515 4.084 1.00 6.94 O ANISOU 3117 O THR A 230 675 1319 641 -125 -55 139 O ATOM 3118 CB THR A 230 27.294 52.035 5.698 1.00 7.32 C ANISOU 3118 CB THR A 230 608 1465 708 57 24 -81 C ATOM 3119 OG1 THR A 230 26.650 51.515 6.859 1.00 8.57 O ANISOU 3119 OG1 THR A 230 871 1599 786 -19 255 159 O ATOM 3120 CG2 THR A 230 26.296 52.164 4.563 1.00 8.72 C ANISOU 3120 CG2 THR A 230 759 1688 867 328 -1 -68 C ATOM 0 H THR A 230 29.335 51.541 6.996 1.00 6.38 H new ATOM 0 HA THR A 230 27.994 50.166 5.181 1.00 6.58 H new ATOM 0 HB THR A 230 27.664 52.914 5.873 1.00 7.32 H new ATOM 0 HG1 THR A 230 26.184 52.117 7.214 1.00 8.57 H new ATOM 0 HG21 THR A 230 25.602 52.794 4.812 1.00 8.72 H new ATOM 0 HG22 THR A 230 26.750 52.482 3.767 1.00 8.72 H new ATOM 0 HG23 THR A 230 25.897 51.298 4.383 1.00 8.72 H new ATOM 3127 N GLU A 231 28.886 50.809 2.907 1.00 6.69 N ANISOU 3127 N GLU A 231 604 1362 574 -229 -17 117 N ATOM 3128 CA GLU A 231 29.533 51.198 1.660 1.00 6.66 C ANISOU 3128 CA GLU A 231 533 1350 649 -262 -26 -30 C ATOM 3129 C GLU A 231 28.677 52.222 0.949 1.00 6.51 C ANISOU 3129 C GLU A 231 681 1287 505 -80 -13 214 C ATOM 3130 O GLU A 231 27.565 51.960 0.461 1.00 7.50 O ANISOU 3130 O GLU A 231 788 1261 799 -243 -157 8 O ATOM 3131 CB GLU A 231 29.758 49.970 0.767 1.00 6.87 C ANISOU 3131 CB GLU A 231 702 1245 665 -132 60 40 C ATOM 3132 CG GLU A 231 30.674 50.167 -0.401 1.00 7.67 C ANISOU 3132 CG GLU A 231 671 1562 682 -142 35 -41 C ATOM 3133 CD GLU A 231 31.230 48.919 -1.032 1.00 8.67 C ANISOU 3133 CD GLU A 231 631 1740 922 70 90 -61 C ATOM 3134 OE1 GLU A 231 31.018 47.792 -0.525 1.00 9.09 O ANISOU 3134 OE1 GLU A 231 759 1622 1073 -138 4 329 O ATOM 3135 OE2 GLU A 231 31.884 49.126 -2.105 1.00 13.33 O ANISOU 3135 OE2 GLU A 231 1198 2444 1421 135 633 -40 O ATOM 0 H GLU A 231 28.382 50.114 2.854 1.00 6.69 H new ATOM 0 HA GLU A 231 30.399 51.589 1.857 1.00 6.66 H new ATOM 0 HB2 GLU A 231 30.113 49.253 1.316 1.00 6.87 H new ATOM 0 HB3 GLU A 231 28.897 49.672 0.434 1.00 6.87 H new ATOM 0 HG2 GLU A 231 30.196 50.665 -1.082 1.00 7.67 H new ATOM 0 HG3 GLU A 231 31.417 50.720 -0.115 1.00 7.67 H new ATOM 3142 N VAL A 232 29.172 53.472 0.929 1.00 6.59 N ANISOU 3142 N VAL A 232 440 1348 717 -180 -9 123 N ATOM 3143 CA VAL A 232 28.360 54.593 0.466 1.00 7.50 C ANISOU 3143 CA VAL A 232 743 1351 756 -63 87 137 C ATOM 3144 C VAL A 232 27.920 54.467 -0.975 1.00 7.28 C ANISOU 3144 C VAL A 232 738 1350 678 -95 54 36 C ATOM 3145 O VAL A 232 26.792 54.903 -1.290 1.00 8.21 O ANISOU 3145 O VAL A 232 892 1396 831 39 -11 -22 O ATOM 3146 CB VAL A 232 29.139 55.877 0.782 1.00 7.79 C ANISOU 3146 CB VAL A 232 703 1391 865 -114 65 -57 C ATOM 3147 CG1 VAL A 232 28.447 57.071 0.171 1.00 9.89 C ANISOU 3147 CG1 VAL A 232 1045 1429 1284 -100 -100 109 C ATOM 3148 CG2 VAL A 232 29.258 56.081 2.295 1.00 8.80 C ANISOU 3148 CG2 VAL A 232 961 1492 892 40 0 280 C ATOM 0 H VAL A 232 29.968 53.682 1.178 1.00 6.59 H new ATOM 0 HA VAL A 232 27.512 54.609 0.937 1.00 7.50 H new ATOM 0 HB VAL A 232 30.028 55.789 0.404 1.00 7.79 H new ATOM 0 HG11 VAL A 232 28.948 57.876 0.377 1.00 9.89 H new ATOM 0 HG12 VAL A 232 28.397 56.959 -0.791 1.00 9.89 H new ATOM 0 HG13 VAL A 232 27.551 57.147 0.534 1.00 9.89 H new ATOM 0 HG21 VAL A 232 29.753 56.896 2.474 1.00 8.80 H new ATOM 0 HG22 VAL A 232 28.372 56.149 2.683 1.00 8.80 H new ATOM 0 HG23 VAL A 232 29.725 55.327 2.688 1.00 8.80 H new ATOM 3158 N SER A 233 28.732 53.853 -1.845 1.00 8.08 N ANISOU 3158 N SER A 233 743 1715 611 -63 -50 -32 N ATOM 3159 CA SER A 233 28.338 53.780 -3.253 1.00 8.49 C ANISOU 3159 CA SER A 233 814 1789 623 -146 120 -66 C ATOM 3160 C SER A 233 27.104 52.946 -3.482 1.00 8.31 C ANISOU 3160 C SER A 233 783 1778 598 -111 -71 136 C ATOM 3161 O SER A 233 26.546 53.050 -4.568 1.00 11.08 O ANISOU 3161 O SER A 233 1001 2452 756 -319 -201 416 O ATOM 3162 CB SER A 233 29.543 53.244 -4.041 1.00 11.41 C ANISOU 3162 CB SER A 233 796 2771 769 -53 233 143 C ATOM 3163 OG SER A 233 29.684 51.841 -3.742 1.00 13.82 O ANISOU 3163 OG SER A 233 779 2507 1966 72 274 914 O ATOM 0 H SER A 233 29.485 53.487 -1.649 1.00 8.08 H new ATOM 0 HA SER A 233 28.094 54.667 -3.562 1.00 8.49 H new ATOM 0 HB2 SER A 233 29.411 53.376 -4.993 1.00 11.41 H new ATOM 0 HB3 SER A 233 30.349 53.725 -3.797 1.00 11.41 H new ATOM 0 HG SER A 233 29.608 51.394 -4.449 1.00 13.82 H new ATOM 3168 N TYR A 234 26.677 52.111 -2.519 1.00 7.35 N ANISOU 3168 N TYR A 234 737 1582 473 -106 90 -85 N ATOM 3169 CA TYR A 234 25.392 51.425 -2.664 1.00 7.71 C ANISOU 3169 CA TYR A 234 689 1436 804 39 -2 -60 C ATOM 3170 C TYR A 234 24.191 52.300 -2.317 1.00 7.69 C ANISOU 3170 C TYR A 234 772 1531 620 57 3 -41 C ATOM 3171 O TYR A 234 23.057 51.906 -2.599 1.00 9.64 O ANISOU 3171 O TYR A 234 738 1683 1243 66 -105 154 O ATOM 3172 CB TYR A 234 25.387 50.169 -1.775 1.00 8.15 C ANISOU 3172 CB TYR A 234 811 1447 838 -111 -160 -41 C ATOM 3173 CG TYR A 234 26.212 49.038 -2.326 1.00 7.78 C ANISOU 3173 CG TYR A 234 879 1413 664 -48 -95 45 C ATOM 3174 CD1 TYR A 234 27.616 49.080 -2.394 1.00 8.74 C ANISOU 3174 CD1 TYR A 234 884 1446 990 89 -433 -98 C ATOM 3175 CD2 TYR A 234 25.622 47.905 -2.830 1.00 8.07 C ANISOU 3175 CD2 TYR A 234 945 1517 604 -50 -100 -36 C ATOM 3176 CE1 TYR A 234 28.324 48.043 -2.906 1.00 9.48 C ANISOU 3176 CE1 TYR A 234 842 1586 1173 -31 -208 207 C ATOM 3177 CE2 TYR A 234 26.341 46.847 -3.342 1.00 8.82 C ANISOU 3177 CE2 TYR A 234 907 1598 847 -64 -150 197 C ATOM 3178 CZ TYR A 234 27.701 46.911 -3.387 1.00 8.71 C ANISOU 3178 CZ TYR A 234 904 1531 874 15 -195 181 C ATOM 3179 OH TYR A 234 28.446 45.905 -3.897 1.00 10.11 O ANISOU 3179 OH TYR A 234 1052 1608 1182 106 -105 -201 O ATOM 0 H TYR A 234 27.107 51.935 -1.795 1.00 7.35 H new ATOM 0 HA TYR A 234 25.301 51.191 -3.601 1.00 7.71 H new ATOM 0 HB2 TYR A 234 25.720 50.404 -0.895 1.00 8.15 H new ATOM 0 HB3 TYR A 234 24.472 49.866 -1.661 1.00 8.15 H new ATOM 0 HD1 TYR A 234 28.067 49.832 -2.083 1.00 8.74 H new ATOM 0 HD2 TYR A 234 24.694 47.849 -2.826 1.00 8.07 H new ATOM 0 HE1 TYR A 234 29.252 48.097 -2.933 1.00 9.48 H new ATOM 0 HE2 TYR A 234 25.899 46.091 -3.656 1.00 8.82 H new ATOM 0 HH TYR A 234 27.943 45.343 -4.267 1.00 10.11 H new ATOM 3188 N HIS A 235 24.421 53.443 -1.707 1.00 7.92 N ANISOU 3188 N HIS A 235 914 1401 696 -1 150 -45 N ATOM 3189 CA HIS A 235 23.368 54.284 -1.141 1.00 7.14 C ANISOU 3189 CA HIS A 235 637 1416 660 -30 -25 16 C ATOM 3190 C HIS A 235 23.405 55.734 -1.645 1.00 7.47 C ANISOU 3190 C HIS A 235 757 1360 720 -49 33 -5 C ATOM 3191 O HIS A 235 22.734 56.585 -1.072 1.00 8.80 O ANISOU 3191 O HIS A 235 1125 1482 738 162 64 22 O ATOM 3192 CB HIS A 235 23.412 54.251 0.394 1.00 7.61 C ANISOU 3192 CB HIS A 235 693 1542 658 -28 134 1 C ATOM 3193 CG HIS A 235 23.179 52.914 1.002 1.00 8.34 C ANISOU 3193 CG HIS A 235 828 1623 719 -117 30 93 C ATOM 3194 ND1 HIS A 235 21.948 52.248 0.863 1.00 9.88 N ANISOU 3194 ND1 HIS A 235 727 1757 1271 -91 30 327 N ATOM 3195 CD2 HIS A 235 23.946 52.094 1.716 1.00 8.11 C ANISOU 3195 CD2 HIS A 235 864 1593 623 -161 -110 17 C ATOM 3196 CE1 HIS A 235 22.043 51.082 1.505 1.00 9.74 C ANISOU 3196 CE1 HIS A 235 734 1614 1351 -49 32 216 C ATOM 3197 NE2 HIS A 235 23.257 50.961 2.035 1.00 8.65 N ANISOU 3197 NE2 HIS A 235 755 1527 1005 20 63 78 N ATOM 0 H HIS A 235 25.211 53.767 -1.604 1.00 7.92 H new ATOM 0 HA HIS A 235 22.529 53.907 -1.449 1.00 7.14 H new ATOM 0 HB2 HIS A 235 24.277 54.578 0.686 1.00 7.61 H new ATOM 0 HB3 HIS A 235 22.746 54.867 0.736 1.00 7.61 H new ATOM 0 HD1 HIS A 235 21.258 52.540 0.440 1.00 9.88 H new ATOM 0 HD2 HIS A 235 24.826 52.268 1.962 1.00 8.11 H new ATOM 0 HE1 HIS A 235 21.364 50.450 1.572 1.00 9.74 H new ATOM 3204 N VAL A 236 24.141 56.039 -2.713 1.00 7.91 N ANISOU 3204 N VAL A 236 828 1451 725 11 38 66 N ATOM 3205 CA VAL A 236 24.246 57.387 -3.219 1.00 8.24 C ANISOU 3205 CA VAL A 236 831 1520 781 -43 66 130 C ATOM 3206 C VAL A 236 22.870 57.882 -3.700 1.00 8.82 C ANISOU 3206 C VAL A 236 931 1542 880 50 -1 128 C ATOM 3207 O VAL A 236 22.471 58.999 -3.414 1.00 9.63 O ANISOU 3207 O VAL A 236 1172 1542 947 136 -101 118 O ATOM 3208 CB VAL A 236 25.294 57.479 -4.355 1.00 8.65 C ANISOU 3208 CB VAL A 236 937 1635 716 -183 72 54 C ATOM 3209 CG1 VAL A 236 25.178 58.791 -5.118 1.00 10.82 C ANISOU 3209 CG1 VAL A 236 1204 1882 1024 -174 147 399 C ATOM 3210 CG2 VAL A 236 26.683 57.244 -3.791 1.00 10.04 C ANISOU 3210 CG2 VAL A 236 897 1681 1237 -163 100 222 C ATOM 0 H VAL A 236 24.593 55.460 -3.161 1.00 7.91 H new ATOM 0 HA VAL A 236 24.547 57.961 -2.497 1.00 8.24 H new ATOM 0 HB VAL A 236 25.119 56.781 -5.006 1.00 8.65 H new ATOM 0 HG11 VAL A 236 25.846 58.817 -5.821 1.00 10.82 H new ATOM 0 HG12 VAL A 236 24.294 58.860 -5.511 1.00 10.82 H new ATOM 0 HG13 VAL A 236 25.320 59.533 -4.510 1.00 10.82 H new ATOM 0 HG21 VAL A 236 27.337 57.302 -4.505 1.00 10.04 H new ATOM 0 HG22 VAL A 236 26.878 57.916 -3.119 1.00 10.04 H new ATOM 0 HG23 VAL A 236 26.724 56.363 -3.387 1.00 10.04 H new ATOM 3220 N ASP A 237 22.140 57.043 -4.445 1.00 9.41 N ANISOU 3220 N ASP A 237 912 1734 929 -22 20 27 N ATOM 3221 CA ASP A 237 20.817 57.466 -4.926 1.00 9.87 C ANISOU 3221 CA ASP A 237 993 1803 955 -95 -41 171 C ATOM 3222 C ASP A 237 19.873 57.712 -3.754 1.00 9.59 C ANISOU 3222 C ASP A 237 846 1621 1175 42 36 297 C ATOM 3223 O ASP A 237 19.070 58.635 -3.784 1.00 11.55 O ANISOU 3223 O ASP A 237 1166 1871 1352 352 -220 124 O ATOM 3224 CB ASP A 237 20.334 56.438 -5.953 1.00 12.83 C ANISOU 3224 CB ASP A 237 1431 2253 1193 41 -407 -135 C ATOM 3225 CG ASP A 237 21.140 56.426 -7.274 1.00 15.25 C ANISOU 3225 CG ASP A 237 1875 2655 1264 342 -229 -372 C ATOM 3226 OD1 ASP A 237 21.740 57.482 -7.616 1.00 18.89 O ANISOU 3226 OD1 ASP A 237 2334 3295 1549 204 192 199 O ATOM 3227 OD2 ASP A 237 21.154 55.395 -7.970 1.00 20.55 O ANISOU 3227 OD2 ASP A 237 2772 3342 1695 833 -641 -962 O ATOM 0 H ASP A 237 22.381 56.251 -4.677 1.00 9.41 H new ATOM 0 HA ASP A 237 20.854 58.321 -5.382 1.00 9.87 H new ATOM 0 HB2 ASP A 237 20.375 55.555 -5.554 1.00 12.83 H new ATOM 0 HB3 ASP A 237 19.402 56.614 -6.157 1.00 12.83 H new ATOM 3232 N TRP A 238 19.973 56.895 -2.701 1.00 9.59 N ANISOU 3232 N TRP A 238 975 1716 954 -5 -7 218 N ATOM 3233 CA TRP A 238 19.185 57.066 -1.475 1.00 9.05 C ANISOU 3233 CA TRP A 238 788 1618 1033 2 -3 99 C ATOM 3234 C TRP A 238 19.508 58.411 -0.861 1.00 8.87 C ANISOU 3234 C TRP A 238 824 1428 1119 56 95 218 C ATOM 3235 O TRP A 238 18.616 59.170 -0.451 1.00 10.01 O ANISOU 3235 O TRP A 238 963 1722 1119 133 155 108 O ATOM 3236 CB TRP A 238 19.399 55.891 -0.489 1.00 8.65 C ANISOU 3236 CB TRP A 238 1042 1409 837 -24 8 -68 C ATOM 3237 CG TRP A 238 18.592 56.100 0.763 1.00 8.80 C ANISOU 3237 CG TRP A 238 907 1517 919 -58 76 12 C ATOM 3238 CD1 TRP A 238 17.318 55.665 0.992 1.00 9.07 C ANISOU 3238 CD1 TRP A 238 942 1368 1137 -41 78 100 C ATOM 3239 CD2 TRP A 238 18.982 56.810 1.956 1.00 8.55 C ANISOU 3239 CD2 TRP A 238 848 1553 846 -22 69 -17 C ATOM 3240 NE1 TRP A 238 16.901 56.044 2.242 1.00 10.02 N ANISOU 3240 NE1 TRP A 238 796 1928 1082 -4 109 158 N ATOM 3241 CE2 TRP A 238 17.886 56.747 2.848 1.00 8.80 C ANISOU 3241 CE2 TRP A 238 828 1662 855 -10 91 52 C ATOM 3242 CE3 TRP A 238 20.147 57.476 2.353 1.00 8.94 C ANISOU 3242 CE3 TRP A 238 806 1751 841 -55 47 131 C ATOM 3243 CZ2 TRP A 238 17.909 57.334 4.100 1.00 10.22 C ANISOU 3243 CZ2 TRP A 238 1070 1868 945 -104 168 -86 C ATOM 3244 CZ3 TRP A 238 20.172 58.064 3.590 1.00 8.97 C ANISOU 3244 CZ3 TRP A 238 968 1447 994 -82 -19 -32 C ATOM 3245 CH2 TRP A 238 19.082 57.980 4.431 1.00 9.60 C ANISOU 3245 CH2 TRP A 238 1220 1438 989 -97 128 -54 C ATOM 0 H TRP A 238 20.505 56.220 -2.678 1.00 9.59 H new ATOM 0 HA TRP A 238 18.240 57.052 -1.695 1.00 9.05 H new ATOM 0 HB2 TRP A 238 19.141 55.057 -0.911 1.00 8.65 H new ATOM 0 HB3 TRP A 238 20.340 55.817 -0.265 1.00 8.65 H new ATOM 0 HD1 TRP A 238 16.806 55.180 0.386 1.00 9.07 H new ATOM 0 HE1 TRP A 238 16.134 55.863 2.587 1.00 10.02 H new ATOM 0 HE3 TRP A 238 20.886 57.518 1.791 1.00 8.94 H new ATOM 0 HZ2 TRP A 238 17.183 57.296 4.680 1.00 10.22 H new ATOM 0 HZ3 TRP A 238 20.932 58.524 3.866 1.00 8.97 H new ATOM 0 HH2 TRP A 238 19.141 58.381 5.268 1.00 9.60 H new ATOM 3256 N ILE A 239 20.828 58.736 -0.774 1.00 8.67 N ANISOU 3256 N ILE A 239 929 1396 967 65 9 -60 N ATOM 3257 CA ILE A 239 21.214 60.015 -0.155 1.00 8.76 C ANISOU 3257 CA ILE A 239 956 1323 1051 12 288 -57 C ATOM 3258 C ILE A 239 20.664 61.181 -0.942 1.00 9.52 C ANISOU 3258 C ILE A 239 1057 1475 1085 68 -20 -52 C ATOM 3259 O ILE A 239 20.092 62.111 -0.363 1.00 11.05 O ANISOU 3259 O ILE A 239 1377 1491 1331 215 73 18 O ATOM 3260 CB ILE A 239 22.750 60.143 -0.038 1.00 8.98 C ANISOU 3260 CB ILE A 239 915 1577 919 60 191 200 C ATOM 3261 CG1 ILE A 239 23.335 59.136 0.964 1.00 10.13 C ANISOU 3261 CG1 ILE A 239 943 1732 1173 -85 82 25 C ATOM 3262 CG2 ILE A 239 23.131 61.570 0.328 1.00 10.34 C ANISOU 3262 CG2 ILE A 239 997 1613 1318 -74 334 198 C ATOM 3263 CD1 ILE A 239 24.827 58.866 0.813 1.00 9.94 C ANISOU 3263 CD1 ILE A 239 924 1699 1155 -3 130 13 C ATOM 0 H ILE A 239 21.478 58.249 -1.056 1.00 8.67 H new ATOM 0 HA ILE A 239 20.835 60.029 0.738 1.00 8.76 H new ATOM 0 HB ILE A 239 23.134 59.932 -0.903 1.00 8.98 H new ATOM 0 HG12 ILE A 239 23.169 59.461 1.863 1.00 10.13 H new ATOM 0 HG13 ILE A 239 22.858 58.296 0.873 1.00 10.13 H new ATOM 0 HG21 ILE A 239 24.096 61.639 0.399 1.00 10.34 H new ATOM 0 HG22 ILE A 239 22.813 62.176 -0.359 1.00 10.34 H new ATOM 0 HG23 ILE A 239 22.727 61.805 1.178 1.00 10.34 H new ATOM 0 HD11 ILE A 239 25.109 58.223 1.482 1.00 9.94 H new ATOM 0 HD12 ILE A 239 25.004 58.510 -0.072 1.00 9.94 H new ATOM 0 HD13 ILE A 239 25.319 59.693 0.933 1.00 9.94 H new ATOM 3275 N LYS A 240 20.802 61.149 -2.254 1.00 11.21 N ANISOU 3275 N LYS A 240 1290 1746 1222 496 26 89 N ATOM 3276 CA LYS A 240 20.331 62.252 -3.068 1.00 11.98 C ANISOU 3276 CA LYS A 240 1628 1668 1256 246 -34 225 C ATOM 3277 C LYS A 240 18.805 62.403 -3.005 1.00 11.89 C ANISOU 3277 C LYS A 240 1604 1774 1139 428 -244 257 C ATOM 3278 O LYS A 240 18.232 63.477 -3.030 1.00 16.19 O ANISOU 3278 O LYS A 240 2057 1924 2170 671 -260 303 O ATOM 3279 CB LYS A 240 20.844 62.054 -4.513 1.00 14.24 C ANISOU 3279 CB LYS A 240 2137 1855 1419 298 242 296 C ATOM 3280 CG LYS A 240 22.346 61.987 -4.636 1.00 18.78 C ANISOU 3280 CG LYS A 240 2218 2374 2543 -16 820 -194 C ATOM 3281 CD LYS A 240 22.747 62.011 -6.123 1.00 23.10 C ANISOU 3281 CD LYS A 240 2996 3091 2691 205 1173 63 C ATOM 3282 CE LYS A 240 22.400 63.344 -6.758 1.00 28.82 C ANISOU 3282 CE LYS A 240 3959 3821 3170 297 284 711 C ATOM 3283 NZ LYS A 240 21.490 63.266 -7.935 1.00 39.53 N ANISOU 3283 NZ LYS A 240 4933 5543 4544 289 -974 660 N ATOM 0 H LYS A 240 21.163 60.503 -2.691 1.00 11.21 H new ATOM 0 HA LYS A 240 20.686 63.084 -2.719 1.00 11.98 H new ATOM 0 HB2 LYS A 240 20.464 61.236 -4.870 1.00 14.24 H new ATOM 0 HB3 LYS A 240 20.517 62.783 -5.063 1.00 14.24 H new ATOM 0 HG2 LYS A 240 22.751 62.736 -4.171 1.00 18.78 H new ATOM 0 HG3 LYS A 240 22.678 61.178 -4.215 1.00 18.78 H new ATOM 0 HD2 LYS A 240 23.699 61.847 -6.207 1.00 23.10 H new ATOM 0 HD3 LYS A 240 22.293 61.296 -6.596 1.00 23.10 H new ATOM 0 HE2 LYS A 240 21.989 63.909 -6.086 1.00 28.82 H new ATOM 0 HE3 LYS A 240 23.222 63.780 -7.031 1.00 28.82 H new ATOM 0 HZ1 LYS A 240 21.337 64.085 -8.247 1.00 39.53 H new ATOM 0 HZ2 LYS A 240 21.869 62.773 -8.571 1.00 39.53 H new ATOM 0 HZ3 LYS A 240 20.720 62.893 -7.691 1.00 39.53 H new ATOM 3297 N ALA A 241 18.069 61.292 -2.906 1.00 13.13 N ANISOU 3297 N ALA A 241 1512 1962 1514 317 -91 118 N ATOM 3298 CA ALA A 241 16.607 61.343 -2.834 1.00 13.90 C ANISOU 3298 CA ALA A 241 1593 2244 1446 270 25 117 C ATOM 3299 C ALA A 241 16.161 61.903 -1.507 1.00 13.91 C ANISOU 3299 C ALA A 241 1592 2067 1627 597 -141 -69 C ATOM 3300 O ALA A 241 15.065 62.467 -1.474 1.00 18.72 O ANISOU 3300 O ALA A 241 1733 3112 2269 1055 -546 -713 O ATOM 3301 CB ALA A 241 15.991 59.969 -2.996 1.00 16.58 C ANISOU 3301 CB ALA A 241 1606 2514 2179 143 -336 -494 C ATOM 0 H ALA A 241 18.399 60.498 -2.879 1.00 13.13 H new ATOM 0 HA ALA A 241 16.311 61.915 -3.559 1.00 13.90 H new ATOM 0 HB1 ALA A 241 15.025 60.039 -2.943 1.00 16.58 H new ATOM 0 HB2 ALA A 241 16.242 59.601 -3.858 1.00 16.58 H new ATOM 0 HB3 ALA A 241 16.311 59.385 -2.291 1.00 16.58 H new ATOM 3307 N ASN A 242 16.938 61.757 -0.451 1.00 11.15 N ANISOU 3307 N ASN A 242 1080 1685 1471 258 118 -3 N ATOM 3308 CA ASN A 242 16.492 62.144 0.898 1.00 12.58 C ANISOU 3308 CA ASN A 242 1451 1783 1544 183 191 -116 C ATOM 3309 C ASN A 242 17.073 63.456 1.389 1.00 12.60 C ANISOU 3309 C ASN A 242 1469 1817 1504 86 58 -82 C ATOM 3310 O ASN A 242 16.520 64.074 2.326 1.00 15.06 O ANISOU 3310 O ASN A 242 1548 1979 2197 14 468 -394 O ATOM 3311 CB ASN A 242 16.814 61.017 1.873 1.00 11.69 C ANISOU 3311 CB ASN A 242 1255 1831 1354 -69 50 -159 C ATOM 3312 CG ASN A 242 15.804 59.910 1.772 1.00 11.82 C ANISOU 3312 CG ASN A 242 1038 1749 1703 117 -143 -178 C ATOM 3313 OD1 ASN A 242 14.734 59.985 2.388 1.00 13.54 O ANISOU 3313 OD1 ASN A 242 1154 2091 1899 -168 42 -453 O ATOM 3314 ND2 ASN A 242 16.053 58.868 0.968 1.00 10.85 N ANISOU 3314 ND2 ASN A 242 1139 1681 1303 -226 -3 -1 N ATOM 0 H ASN A 242 17.735 61.435 -0.482 1.00 11.15 H new ATOM 0 HA ASN A 242 15.534 62.290 0.848 1.00 12.58 H new ATOM 0 HB2 ASN A 242 17.700 60.668 1.688 1.00 11.69 H new ATOM 0 HB3 ASN A 242 16.829 61.363 2.779 1.00 11.69 H new ATOM 0 HD21 ASN A 242 15.467 58.245 0.877 1.00 10.85 H new ATOM 0 HD22 ASN A 242 16.799 58.822 0.542 1.00 10.85 H new ATOM 3321 N ALA A 243 18.135 63.944 0.783 1.00 12.16 N ANISOU 3321 N ALA A 243 1502 1663 1453 198 107 -106 N ATOM 3322 CA ALA A 243 18.692 65.250 1.207 1.00 13.94 C ANISOU 3322 CA ALA A 243 1920 1661 1715 -64 227 113 C ATOM 3323 C ALA A 243 17.985 66.386 0.474 1.00 15.38 C ANISOU 3323 C ALA A 243 2285 1664 1894 53 16 -31 C ATOM 3324 O ALA A 243 18.612 67.051 -0.340 1.00 18.87 O ANISOU 3324 O ALA A 243 3064 1835 2270 140 150 484 O ATOM 3325 CB ALA A 243 20.207 65.260 0.997 1.00 14.66 C ANISOU 3325 CB ALA A 243 1907 1797 1866 -186 222 -34 C ATOM 0 H ALA A 243 18.553 63.559 0.137 1.00 12.16 H new ATOM 0 HA ALA A 243 18.534 65.386 2.154 1.00 13.94 H new ATOM 0 HB1 ALA A 243 20.567 66.117 1.276 1.00 14.66 H new ATOM 0 HB2 ALA A 243 20.612 64.553 1.524 1.00 14.66 H new ATOM 0 HB3 ALA A 243 20.405 65.117 0.058 1.00 14.66 H new ATOM 3331 N VAL A 244 16.703 66.534 0.782 1.00 20.19 N ANISOU 3331 N VAL A 244 2206 2698 2768 404 -136 76 N ATOM 3332 CA VAL A 244 15.686 67.341 0.147 1.00 21.85 C ANISOU 3332 CA VAL A 244 2850 2578 2875 758 -189 65 C ATOM 3333 C VAL A 244 15.376 67.005 -1.304 1.00 29.93 C ANISOU 3333 C VAL A 244 4227 3966 3177 342 -1094 122 C ATOM 3334 CB VAL A 244 16.116 68.829 0.227 1.00 24.83 C ANISOU 3334 CB VAL A 244 3310 2764 3361 392 19 341 C ATOM 3335 CG1 VAL A 244 15.300 69.601 -0.777 1.00 26.71 C ANISOU 3335 CG1 VAL A 244 3676 2676 3795 647 -49 464 C ATOM 3336 CG2 VAL A 244 15.935 69.220 1.666 1.00 24.51 C ANISOU 3336 CG2 VAL A 244 2917 2722 3673 566 -188 -324 C ATOM 0 H VAL A 244 16.374 66.108 1.453 1.00 20.19 H new ATOM 0 HA VAL A 244 14.869 67.152 0.634 1.00 21.85 H new ATOM 0 HB VAL A 244 17.039 69.012 -0.009 1.00 24.83 H new ATOM 0 HG11 VAL A 244 15.551 70.538 -0.747 1.00 26.71 H new ATOM 0 HG12 VAL A 244 15.465 69.251 -1.666 1.00 26.71 H new ATOM 0 HG13 VAL A 244 14.358 69.512 -0.565 1.00 26.71 H new ATOM 0 HG21 VAL A 244 16.189 70.149 1.784 1.00 24.51 H new ATOM 0 HG22 VAL A 244 15.005 69.105 1.918 1.00 24.51 H new ATOM 0 HG23 VAL A 244 16.493 68.659 2.227 1.00 24.51 H new TER 3346 VAL A 244 ATOM 3347 N GLN B 2 31.416 29.304 22.990 1.00 49.32 N ANISOU 3347 N GLN B 2 6378 6447 5914 -227 321 -54 N ATOM 3348 CA GLN B 2 32.454 29.285 21.953 1.00 45.91 C ANISOU 3348 CA GLN B 2 5861 5548 6034 -5 113 -84 C ATOM 3349 C GLN B 2 32.708 30.708 21.431 1.00 44.57 C ANISOU 3349 C GLN B 2 5578 5495 5862 442 20 40 C ATOM 3350 O GLN B 2 33.031 30.906 20.261 1.00 47.36 O ANISOU 3350 O GLN B 2 6430 5672 5894 533 214 78 O ATOM 3351 CB GLN B 2 32.066 28.357 20.808 0.00 46.45 C ANISOU 3351 CB GLN B 2 5893 5777 5981 -24 15 -89 C ATOM 3352 CG GLN B 2 31.742 29.068 19.504 0.00 46.95 C ANISOU 3352 CG GLN B 2 5933 5874 6032 2 54 -3 C ATOM 3353 CD GLN B 2 32.218 28.300 18.287 0.00 46.94 C ANISOU 3353 CD GLN B 2 5941 5917 5978 2 20 4 C ATOM 3354 OE1 GLN B 2 31.580 27.340 17.856 0.00 46.93 O ANISOU 3354 OE1 GLN B 2 5941 5939 5954 -5 4 6 O ATOM 3355 NE2 GLN B 2 33.346 28.721 17.727 0.00 46.88 N ANISOU 3355 NE2 GLN B 2 5935 5934 5943 1 9 1 N ATOM 0 HA GLN B 2 33.273 28.946 22.348 1.00 45.91 H new ATOM 0 HB2 GLN B 2 32.792 27.733 20.652 0.00 46.45 H new ATOM 0 HB3 GLN B 2 31.296 27.833 21.078 0.00 46.45 H new ATOM 0 HG2 GLN B 2 30.783 29.203 19.443 0.00 46.95 H new ATOM 0 HG3 GLN B 2 32.152 29.947 19.508 0.00 46.95 H new ATOM 0 HE21 GLN B 2 33.764 29.396 18.057 0.00 46.88 H new ATOM 0 HE22 GLN B 2 33.658 28.319 17.034 0.00 46.88 H new ATOM 3356 N GLU B 3 32.543 31.581 22.372 1.00 41.34 N ANISOU 3356 N GLU B 3 4706 5349 5652 656 -321 218 N ATOM 3357 CA GLU B 3 32.304 32.995 22.545 1.00 37.25 C ANISOU 3357 CA GLU B 3 3998 5172 4983 146 -802 372 C ATOM 3358 C GLU B 3 30.807 33.353 22.525 1.00 34.84 C ANISOU 3358 C GLU B 3 4006 4808 4424 87 -503 -75 C ATOM 3359 O GLU B 3 30.354 33.970 23.494 1.00 35.73 O ANISOU 3359 O GLU B 3 4656 4797 4122 -218 -222 61 O ATOM 3360 CB GLU B 3 33.021 33.854 21.495 1.00 38.77 C ANISOU 3360 CB GLU B 3 4226 5526 4978 353 -92 149 C ATOM 3361 CG GLU B 3 32.476 35.249 21.705 1.00 40.47 C ANISOU 3361 CG GLU B 3 5054 5266 5059 319 20 465 C ATOM 3362 CD GLU B 3 33.382 36.431 21.560 1.00 42.23 C ANISOU 3362 CD GLU B 3 5199 5598 5249 10 -38 333 C ATOM 3363 OE1 GLU B 3 33.297 37.094 20.498 1.00 44.41 O ANISOU 3363 OE1 GLU B 3 5708 5696 5470 -568 -295 575 O ATOM 3364 OE2 GLU B 3 34.153 36.777 22.479 1.00 45.14 O ANISOU 3364 OE2 GLU B 3 5572 5964 5617 -47 -438 393 O ATOM 0 HA GLU B 3 32.668 33.195 23.421 1.00 37.25 H new ATOM 0 HB2 GLU B 3 33.983 33.829 21.616 1.00 38.77 H new ATOM 0 HB3 GLU B 3 32.840 33.536 20.596 1.00 38.77 H new ATOM 0 HG2 GLU B 3 31.742 35.369 21.083 1.00 40.47 H new ATOM 0 HG3 GLU B 3 32.099 35.281 22.598 1.00 40.47 H new ATOM 3371 N CYS B 4 30.028 32.998 21.496 1.00 29.26 N ANISOU 3371 N CYS B 4 3487 4082 3547 414 -60 644 N ATOM 3372 CA CYS B 4 28.569 33.185 21.566 1.00 24.71 C ANISOU 3372 CA CYS B 4 3437 3413 2540 110 403 793 C ATOM 3373 C CYS B 4 27.841 32.266 20.584 1.00 23.99 C ANISOU 3373 C CYS B 4 3194 3150 2772 266 634 561 C ATOM 3374 O CYS B 4 28.450 31.693 19.657 1.00 21.87 O ANISOU 3374 O CYS B 4 2965 2737 2610 965 273 965 O ATOM 3375 CB CYS B 4 28.253 34.663 21.334 1.00 22.03 C ANISOU 3375 CB CYS B 4 3139 3344 1888 -66 -63 630 C ATOM 3376 SG CYS B 4 28.814 35.370 19.759 1.00 18.99 S ANISOU 3376 SG CYS B 4 1910 3242 2062 236 183 525 S ATOM 0 H CYS B 4 30.315 32.654 20.762 1.00 29.26 H new ATOM 0 HA CYS B 4 28.247 32.935 22.446 1.00 24.71 H new ATOM 0 HB2 CYS B 4 27.292 34.782 21.396 1.00 22.03 H new ATOM 0 HB3 CYS B 4 28.649 35.176 22.056 1.00 22.03 H new ATOM 3381 N THR B 5 26.508 32.110 20.697 1.00 22.65 N ANISOU 3381 N THR B 5 3106 3284 2216 403 495 858 N ATOM 3382 CA THR B 5 25.683 31.394 19.723 1.00 22.24 C ANISOU 3382 CA THR B 5 3111 2872 2469 395 650 607 C ATOM 3383 C THR B 5 25.147 32.282 18.605 1.00 18.77 C ANISOU 3383 C THR B 5 2462 2428 2241 -92 584 342 C ATOM 3384 O THR B 5 24.506 33.313 18.931 1.00 17.21 O ANISOU 3384 O THR B 5 2475 2046 2018 -392 684 500 O ATOM 3385 CB THR B 5 24.479 30.722 20.396 1.00 24.51 C ANISOU 3385 CB THR B 5 3572 3141 2599 61 583 980 C ATOM 3386 OG1 THR B 5 24.924 29.644 21.224 1.00 30.18 O ANISOU 3386 OG1 THR B 5 4263 3689 3514 198 372 1614 O ATOM 3387 CG2 THR B 5 23.548 30.084 19.380 1.00 27.18 C ANISOU 3387 CG2 THR B 5 3606 3281 3440 -78 314 750 C ATOM 0 H THR B 5 26.057 32.426 21.357 1.00 22.65 H new ATOM 0 HA THR B 5 26.279 30.734 19.336 1.00 22.24 H new ATOM 0 HB THR B 5 24.023 31.417 20.896 1.00 24.51 H new ATOM 0 HG1 THR B 5 24.262 29.281 21.591 1.00 30.18 H new ATOM 0 HG21 THR B 5 22.801 29.670 19.840 1.00 27.18 H new ATOM 0 HG22 THR B 5 23.217 30.764 18.773 1.00 27.18 H new ATOM 0 HG23 THR B 5 24.031 29.410 18.877 1.00 27.18 H new ATOM 3394 N PRO B 6 25.359 31.917 17.340 1.00 18.53 N ANISOU 3394 N PRO B 6 2547 2172 2324 -63 749 412 N ATOM 3395 CA PRO B 6 24.901 32.771 16.218 1.00 17.20 C ANISOU 3395 CA PRO B 6 2096 2276 2164 -124 828 324 C ATOM 3396 C PRO B 6 23.467 33.226 16.363 1.00 16.20 C ANISOU 3396 C PRO B 6 1981 2251 1922 -298 904 237 C ATOM 3397 O PRO B 6 22.567 32.418 16.612 1.00 17.69 O ANISOU 3397 O PRO B 6 2084 2388 2250 -624 570 -151 O ATOM 3398 CB PRO B 6 25.049 31.842 15.009 1.00 17.67 C ANISOU 3398 CB PRO B 6 2228 2234 2250 -93 1020 306 C ATOM 3399 CG PRO B 6 26.289 31.072 15.392 1.00 18.94 C ANISOU 3399 CG PRO B 6 2403 2342 2453 2 657 129 C ATOM 3400 CD PRO B 6 26.028 30.719 16.827 1.00 19.82 C ANISOU 3400 CD PRO B 6 2876 2124 2530 -42 661 324 C ATOM 0 HA PRO B 6 25.409 33.595 16.159 1.00 17.20 H new ATOM 0 HB2 PRO B 6 24.279 31.264 14.893 1.00 17.67 H new ATOM 0 HB3 PRO B 6 25.163 32.333 14.180 1.00 17.67 H new ATOM 0 HG2 PRO B 6 26.407 30.282 14.842 1.00 18.94 H new ATOM 0 HG3 PRO B 6 27.091 31.608 15.293 1.00 18.94 H new ATOM 0 HD2 PRO B 6 25.467 29.931 16.908 1.00 19.82 H new ATOM 0 HD3 PRO B 6 26.850 30.532 17.307 1.00 19.82 H new ATOM 3408 N GLY B 7 23.268 34.542 16.280 1.00 14.72 N ANISOU 3408 N GLY B 7 1730 2344 1520 -232 476 288 N ATOM 3409 CA GLY B 7 21.933 35.082 16.352 1.00 14.92 C ANISOU 3409 CA GLY B 7 1667 2571 1430 -219 117 8 C ATOM 3410 C GLY B 7 21.521 35.679 17.676 1.00 14.72 C ANISOU 3410 C GLY B 7 1934 2294 1364 70 335 336 C ATOM 3411 O GLY B 7 20.530 36.401 17.704 1.00 17.10 O ANISOU 3411 O GLY B 7 2064 2844 1589 345 407 489 O ATOM 0 H GLY B 7 23.892 35.126 16.183 1.00 14.72 H new ATOM 0 HA2 GLY B 7 21.844 35.766 15.670 1.00 14.92 H new ATOM 0 HA3 GLY B 7 21.307 34.376 16.129 1.00 14.92 H new ATOM 3415 N GLN B 8 22.289 35.367 18.723 1.00 13.43 N ANISOU 3415 N GLN B 8 1662 2147 1293 -59 388 176 N ATOM 3416 CA GLN B 8 22.094 36.048 19.988 1.00 12.93 C ANISOU 3416 CA GLN B 8 1444 2059 1410 -26 369 158 C ATOM 3417 C GLN B 8 22.314 37.528 19.837 1.00 11.48 C ANISOU 3417 C GLN B 8 837 2046 1478 14 391 241 C ATOM 3418 O GLN B 8 23.107 37.978 18.984 1.00 13.61 O ANISOU 3418 O GLN B 8 1121 2447 1603 -240 601 200 O ATOM 3419 CB GLN B 8 23.111 35.566 21.005 1.00 13.91 C ANISOU 3419 CB GLN B 8 1941 2025 1318 142 256 177 C ATOM 3420 CG GLN B 8 22.842 34.183 21.577 1.00 16.25 C ANISOU 3420 CG GLN B 8 2357 2089 1726 157 481 317 C ATOM 3421 CD GLN B 8 23.860 33.996 22.688 1.00 18.00 C ANISOU 3421 CD GLN B 8 2701 2450 1687 665 389 469 C ATOM 3422 OE1 GLN B 8 24.910 33.419 22.569 1.00 22.76 O ANISOU 3422 OE1 GLN B 8 3232 3206 2210 1304 274 269 O ATOM 3423 NE2 GLN B 8 23.575 34.602 23.825 1.00 22.89 N ANISOU 3423 NE2 GLN B 8 2953 3977 1766 1070 299 64 N ATOM 0 H GLN B 8 22.914 34.776 18.716 1.00 13.43 H new ATOM 0 HA GLN B 8 21.187 35.860 20.276 1.00 12.93 H new ATOM 0 HB2 GLN B 8 23.988 35.565 20.590 1.00 13.91 H new ATOM 0 HB3 GLN B 8 23.144 36.203 21.736 1.00 13.91 H new ATOM 0 HG2 GLN B 8 21.937 34.117 21.919 1.00 16.25 H new ATOM 0 HG3 GLN B 8 22.939 33.499 20.896 1.00 16.25 H new ATOM 0 HE21 GLN B 8 22.827 35.016 23.916 1.00 22.89 H new ATOM 0 HE22 GLN B 8 24.138 34.583 24.475 1.00 22.89 H new ATOM 3432 N THR B 9 21.682 38.311 20.684 1.00 12.56 N ANISOU 3432 N THR B 9 1294 2080 1396 -106 592 242 N ATOM 3433 CA THR B 9 21.926 39.742 20.758 1.00 12.60 C ANISOU 3433 CA THR B 9 1473 2075 1239 -95 631 229 C ATOM 3434 C THR B 9 22.211 40.123 22.208 1.00 13.22 C ANISOU 3434 C THR B 9 1585 2183 1257 -493 539 390 C ATOM 3435 O THR B 9 21.764 39.459 23.141 1.00 13.15 O ANISOU 3435 O THR B 9 1357 2396 1245 -530 398 589 O ATOM 3436 CB THR B 9 20.760 40.566 20.206 1.00 13.37 C ANISOU 3436 CB THR B 9 1581 2040 1460 -110 450 196 C ATOM 3437 OG1 THR B 9 19.627 40.264 21.037 1.00 15.56 O ANISOU 3437 OG1 THR B 9 1474 2322 2115 -165 597 289 O ATOM 3438 CG2 THR B 9 20.481 40.168 18.769 1.00 17.01 C ANISOU 3438 CG2 THR B 9 2015 2856 1592 -678 59 283 C ATOM 0 H THR B 9 21.091 38.028 21.241 1.00 12.56 H new ATOM 0 HA THR B 9 22.694 39.945 20.201 1.00 12.60 H new ATOM 0 HB THR B 9 20.958 41.516 20.214 1.00 13.37 H new ATOM 0 HG1 THR B 9 18.960 40.698 20.770 1.00 15.56 H new ATOM 0 HG21 THR B 9 19.742 40.693 18.425 1.00 17.01 H new ATOM 0 HG22 THR B 9 21.270 40.330 18.229 1.00 17.01 H new ATOM 0 HG23 THR B 9 20.252 39.226 18.732 1.00 17.01 H new ATOM 3445 N LYS B 10 22.980 41.183 22.355 1.00 13.72 N ANISOU 3445 N LYS B 10 1731 2254 1227 -585 752 287 N ATOM 3446 CA LYS B 10 23.237 41.744 23.669 1.00 14.44 C ANISOU 3446 CA LYS B 10 1960 2263 1262 -378 373 333 C ATOM 3447 C LYS B 10 23.537 43.219 23.512 1.00 13.28 C ANISOU 3447 C LYS B 10 1797 2146 1102 -124 542 233 C ATOM 3448 O LYS B 10 23.691 43.751 22.412 1.00 14.60 O ANISOU 3448 O LYS B 10 2034 2288 1224 -229 762 340 O ATOM 3449 CB LYS B 10 24.375 41.029 24.411 1.00 15.82 C ANISOU 3449 CB LYS B 10 2326 2072 1615 -181 252 293 C ATOM 3450 CG LYS B 10 25.751 41.304 23.875 1.00 16.14 C ANISOU 3450 CG LYS B 10 2170 2406 1555 171 275 15 C ATOM 3451 CD LYS B 10 26.854 40.858 24.805 1.00 18.79 C ANISOU 3451 CD LYS B 10 2426 2730 1983 180 104 413 C ATOM 3452 CE LYS B 10 28.237 41.159 24.251 1.00 22.27 C ANISOU 3452 CE LYS B 10 2249 3524 2690 224 154 -30 C ATOM 3453 NZ LYS B 10 29.285 41.051 25.322 1.00 27.09 N ANISOU 3453 NZ LYS B 10 2724 4016 3552 54 -516 261 N ATOM 0 H LYS B 10 23.365 41.596 21.706 1.00 13.72 H new ATOM 0 HA LYS B 10 22.445 41.617 24.215 1.00 14.44 H new ATOM 0 HB2 LYS B 10 24.348 41.289 25.345 1.00 15.82 H new ATOM 0 HB3 LYS B 10 24.214 40.073 24.378 1.00 15.82 H new ATOM 0 HG2 LYS B 10 25.855 40.855 23.022 1.00 16.14 H new ATOM 0 HG3 LYS B 10 25.842 42.255 23.708 1.00 16.14 H new ATOM 0 HD2 LYS B 10 26.749 41.299 25.662 1.00 18.79 H new ATOM 0 HD3 LYS B 10 26.773 39.905 24.965 1.00 18.79 H new ATOM 0 HE2 LYS B 10 28.441 40.542 23.531 1.00 22.27 H new ATOM 0 HE3 LYS B 10 28.249 42.052 23.871 1.00 22.27 H new ATOM 0 HZ1 LYS B 10 30.084 41.231 24.975 1.00 27.09 H new ATOM 0 HZ2 LYS B 10 29.107 41.632 25.972 1.00 27.09 H new ATOM 0 HZ3 LYS B 10 29.286 40.226 25.655 1.00 27.09 H new ATOM 3467 N LYS B 11 23.662 43.925 24.626 1.00 16.55 N ANISOU 3467 N LYS B 11 2511 2496 1283 -346 497 61 N ATOM 3468 CA LYS B 11 24.236 45.265 24.627 1.00 17.70 C ANISOU 3468 CA LYS B 11 2668 2447 1610 -331 228 -44 C ATOM 3469 C LYS B 11 25.614 45.162 25.295 1.00 17.25 C ANISOU 3469 C LYS B 11 2690 2574 1292 -353 282 124 C ATOM 3470 O LYS B 11 25.875 44.291 26.125 1.00 20.57 O ANISOU 3470 O LYS B 11 3199 2818 1796 -425 15 487 O ATOM 3471 CB LYS B 11 23.390 46.284 25.363 1.00 20.86 C ANISOU 3471 CB LYS B 11 2864 2738 2326 -137 286 -377 C ATOM 3472 CG LYS B 11 21.987 46.482 24.810 1.00 24.43 C ANISOU 3472 CG LYS B 11 2930 3303 3049 59 69 -478 C ATOM 3473 CD LYS B 11 21.582 47.946 24.819 1.00 26.97 C ANISOU 3473 CD LYS B 11 3386 3427 3434 304 -300 -332 C ATOM 3474 CE LYS B 11 20.082 48.107 24.637 0.00 26.53 C ANISOU 3474 CE LYS B 11 3342 3337 3401 251 -152 -122 C ATOM 3475 NZ LYS B 11 19.483 48.967 25.695 0.00 26.15 N ANISOU 3475 NZ LYS B 11 3324 3304 3308 59 -15 -58 N ATOM 0 H LYS B 11 23.418 43.644 25.401 1.00 16.55 H new ATOM 0 HA LYS B 11 24.290 45.578 23.710 1.00 17.70 H new ATOM 0 HB2 LYS B 11 23.321 46.015 26.292 1.00 20.86 H new ATOM 0 HB3 LYS B 11 23.851 47.137 25.348 1.00 20.86 H new ATOM 0 HG2 LYS B 11 21.945 46.140 23.903 1.00 24.43 H new ATOM 0 HG3 LYS B 11 21.355 45.968 25.337 1.00 24.43 H new ATOM 0 HD2 LYS B 11 21.854 48.353 25.656 1.00 26.97 H new ATOM 0 HD3 LYS B 11 22.048 48.417 24.110 1.00 26.97 H new ATOM 0 HE2 LYS B 11 19.902 48.494 23.766 0.00 26.53 H new ATOM 0 HE3 LYS B 11 19.659 47.234 24.652 0.00 26.53 H new ATOM 0 HZ1 LYS B 11 18.607 49.040 25.558 0.00 26.15 H new ATOM 0 HZ2 LYS B 11 19.629 48.601 26.493 0.00 26.15 H new ATOM 0 HZ3 LYS B 11 19.855 49.775 25.667 0.00 26.15 H new ATOM 3489 N GLN B 12 26.491 46.052 24.908 1.00 18.56 N ANISOU 3489 N GLN B 12 2921 2876 1254 -703 -25 202 N ATOM 3490 CA GLN B 12 27.813 46.267 25.481 1.00 21.17 C ANISOU 3490 CA GLN B 12 2983 3242 1818 -623 -301 249 C ATOM 3491 C GLN B 12 27.831 47.738 25.785 1.00 19.68 C ANISOU 3491 C GLN B 12 2675 3234 1569 -814 -117 258 C ATOM 3492 O GLN B 12 28.023 48.583 24.917 1.00 19.65 O ANISOU 3492 O GLN B 12 2642 3315 1510 -768 -166 284 O ATOM 3493 CB GLN B 12 28.912 45.819 24.531 1.00 24.74 C ANISOU 3493 CB GLN B 12 3048 3546 2807 -108 -80 170 C ATOM 3494 CG GLN B 12 30.296 46.169 25.034 1.00 28.14 C ANISOU 3494 CG GLN B 12 3041 4265 3386 34 -292 87 C ATOM 3495 CD GLN B 12 31.338 46.318 23.934 1.00 30.78 C ANISOU 3495 CD GLN B 12 3146 4403 4146 -28 239 -130 C ATOM 3496 OE1 GLN B 12 31.679 47.442 23.522 1.00 37.55 O ANISOU 3496 OE1 GLN B 12 4814 4796 4657 -286 925 274 O ATOM 3497 NE2 GLN B 12 31.835 45.162 23.488 1.00 36.84 N ANISOU 3497 NE2 GLN B 12 4708 4949 4342 683 332 -459 N ATOM 0 H GLN B 12 26.328 46.590 24.257 1.00 18.56 H new ATOM 0 HA GLN B 12 27.982 45.742 26.279 1.00 21.17 H new ATOM 0 HB2 GLN B 12 28.852 44.860 24.402 1.00 24.74 H new ATOM 0 HB3 GLN B 12 28.773 46.231 23.664 1.00 24.74 H new ATOM 0 HG2 GLN B 12 30.247 46.998 25.535 1.00 28.14 H new ATOM 0 HG3 GLN B 12 30.588 45.481 25.652 1.00 28.14 H new ATOM 0 HE21 GLN B 12 31.555 44.418 23.817 1.00 36.84 H new ATOM 0 HE22 GLN B 12 32.435 45.161 22.872 1.00 36.84 H new ATOM 3506 N ASP B 13 27.585 48.019 27.077 1.00 21.68 N ANISOU 3506 N ASP B 13 3205 3349 1684 -469 338 337 N ATOM 3507 CA ASP B 13 27.297 49.407 27.449 1.00 24.11 C ANISOU 3507 CA ASP B 13 3365 3437 2359 -277 498 125 C ATOM 3508 C ASP B 13 26.231 49.987 26.538 1.00 22.50 C ANISOU 3508 C ASP B 13 3329 3052 2166 -413 438 -208 C ATOM 3509 O ASP B 13 25.118 49.426 26.456 1.00 23.82 O ANISOU 3509 O ASP B 13 3330 3584 2137 -641 619 45 O ATOM 3510 CB ASP B 13 28.614 50.203 27.498 1.00 27.45 C ANISOU 3510 CB ASP B 13 3539 3483 3407 -460 -26 90 C ATOM 3511 CG ASP B 13 28.408 51.453 28.347 1.00 30.65 C ANISOU 3511 CG ASP B 13 3947 3702 3996 -456 72 -239 C ATOM 3512 OD1 ASP B 13 27.375 51.548 29.067 1.00 36.65 O ANISOU 3512 OD1 ASP B 13 4768 4782 4376 -398 751 -681 O ATOM 3513 OD2 ASP B 13 29.246 52.380 28.356 1.00 34.11 O ANISOU 3513 OD2 ASP B 13 4678 3837 4446 -847 -275 -204 O ATOM 0 H ASP B 13 27.580 47.449 27.721 1.00 21.68 H new ATOM 0 HA ASP B 13 26.918 49.459 28.340 1.00 24.11 H new ATOM 0 HB2 ASP B 13 29.322 49.656 27.873 1.00 27.45 H new ATOM 0 HB3 ASP B 13 28.890 50.449 26.601 1.00 27.45 H new ATOM 3518 N CYS B 14 26.436 51.090 25.823 1.00 20.21 N ANISOU 3518 N CYS B 14 3211 2715 1751 -397 353 -531 N ATOM 3519 CA CYS B 14 25.402 51.716 25.017 1.00 20.65 C ANISOU 3519 CA CYS B 14 2992 2822 2031 208 653 -725 C ATOM 3520 C CYS B 14 25.353 51.130 23.609 1.00 17.49 C ANISOU 3520 C CYS B 14 2343 2624 1676 163 634 -291 C ATOM 3521 O CYS B 14 24.464 51.502 22.846 1.00 20.35 O ANISOU 3521 O CYS B 14 2336 3314 2083 630 591 -332 O ATOM 3522 CB CYS B 14 25.664 53.210 24.927 1.00 23.48 C ANISOU 3522 CB CYS B 14 3676 2781 2465 257 633 -712 C ATOM 3523 SG CYS B 14 26.994 53.796 23.888 1.00 27.00 S ANISOU 3523 SG CYS B 14 4158 3677 2425 -664 321 -316 S ATOM 0 H CYS B 14 27.192 51.499 25.794 1.00 20.21 H new ATOM 0 HA CYS B 14 24.548 51.547 25.445 1.00 20.65 H new ATOM 0 HB2 CYS B 14 24.846 53.633 24.622 1.00 23.48 H new ATOM 0 HB3 CYS B 14 25.831 53.533 25.826 1.00 23.48 H new ATOM 3528 N ASN B 15 26.274 50.262 23.276 1.00 13.82 N ANISOU 3528 N ASN B 15 2110 2172 969 -44 391 66 N ATOM 3529 CA ASN B 15 26.342 49.663 21.939 1.00 12.48 C ANISOU 3529 CA ASN B 15 1694 1991 1057 -264 422 25 C ATOM 3530 C ASN B 15 25.541 48.374 21.895 1.00 14.25 C ANISOU 3530 C ASN B 15 1809 2343 1262 -578 316 169 C ATOM 3531 O ASN B 15 25.288 47.682 22.909 1.00 16.13 O ANISOU 3531 O ASN B 15 2385 2215 1527 -575 18 486 O ATOM 3532 CB ASN B 15 27.816 49.470 21.530 1.00 11.88 C ANISOU 3532 CB ASN B 15 1576 2057 881 -286 200 62 C ATOM 3533 CG ASN B 15 28.388 50.772 21.064 1.00 10.87 C ANISOU 3533 CG ASN B 15 1310 1996 824 -156 249 -92 C ATOM 3534 OD1 ASN B 15 27.898 51.359 20.100 1.00 11.08 O ANISOU 3534 OD1 ASN B 15 1200 2160 851 -224 332 97 O ATOM 3535 ND2 ASN B 15 29.398 51.261 21.778 1.00 12.50 N ANISOU 3535 ND2 ASN B 15 1679 2296 774 -484 85 88 N ATOM 0 H ASN B 15 26.889 49.992 23.813 1.00 13.82 H new ATOM 0 HA ASN B 15 25.939 50.259 21.288 1.00 12.48 H new ATOM 0 HB2 ASN B 15 28.328 49.133 22.282 1.00 11.88 H new ATOM 0 HB3 ASN B 15 27.880 48.808 20.824 1.00 11.88 H new ATOM 0 HD21 ASN B 15 29.740 52.023 21.573 1.00 12.50 H new ATOM 0 HD22 ASN B 15 29.709 50.815 22.445 1.00 12.50 H new ATOM 3542 N THR B 16 25.130 48.030 20.672 1.00 13.24 N ANISOU 3542 N THR B 16 1523 2178 1330 -368 436 1 N ATOM 3543 CA THR B 16 24.316 46.871 20.389 1.00 13.22 C ANISOU 3543 CA THR B 16 1564 2181 1279 -302 446 -118 C ATOM 3544 C THR B 16 25.157 45.874 19.626 1.00 11.36 C ANISOU 3544 C THR B 16 1124 2128 1063 -439 286 -8 C ATOM 3545 O THR B 16 25.988 46.278 18.824 1.00 12.55 O ANISOU 3545 O THR B 16 1386 2115 1265 -262 532 254 O ATOM 3546 CB THR B 16 23.067 47.203 19.575 1.00 15.09 C ANISOU 3546 CB THR B 16 1302 2411 2021 -240 376 -40 C ATOM 3547 OG1 THR B 16 23.434 47.937 18.400 1.00 16.96 O ANISOU 3547 OG1 THR B 16 1649 2779 2016 -395 -107 267 O ATOM 3548 CG2 THR B 16 22.136 48.099 20.350 1.00 18.73 C ANISOU 3548 CG2 THR B 16 1972 2235 2909 -4 561 -270 C ATOM 0 H THR B 16 25.329 48.485 19.970 1.00 13.24 H new ATOM 0 HA THR B 16 24.012 46.509 21.236 1.00 13.22 H new ATOM 0 HB THR B 16 22.636 46.361 19.360 1.00 15.09 H new ATOM 0 HG1 THR B 16 24.249 47.815 18.236 1.00 16.96 H new ATOM 0 HG21 THR B 16 21.353 48.295 19.812 1.00 18.73 H new ATOM 0 HG22 THR B 16 21.864 47.653 21.167 1.00 18.73 H new ATOM 0 HG23 THR B 16 22.592 48.927 20.570 1.00 18.73 H new ATOM 3555 N CYS B 17 24.943 44.616 19.918 1.00 11.77 N ANISOU 3555 N CYS B 17 1153 2133 1187 -305 551 89 N ATOM 3556 CA CYS B 17 25.706 43.518 19.385 1.00 12.61 C ANISOU 3556 CA CYS B 17 1545 2187 1061 -250 572 -41 C ATOM 3557 C CYS B 17 24.844 42.337 18.933 1.00 12.95 C ANISOU 3557 C CYS B 17 1580 1986 1352 -203 665 72 C ATOM 3558 O CYS B 17 23.802 42.051 19.523 1.00 14.12 O ANISOU 3558 O CYS B 17 1822 2176 1365 -427 787 -21 O ATOM 3559 CB CYS B 17 26.704 42.970 20.437 1.00 14.89 C ANISOU 3559 CB CYS B 17 1838 2053 1769 -54 246 127 C ATOM 3560 SG CYS B 17 27.636 44.209 21.383 1.00 16.68 S ANISOU 3560 SG CYS B 17 1934 2838 1568 -187 74 -31 S ATOM 0 H CYS B 17 24.321 44.365 20.457 1.00 11.77 H new ATOM 0 HA CYS B 17 26.165 43.888 18.615 1.00 12.61 H new ATOM 0 HB2 CYS B 17 26.213 42.415 21.063 1.00 14.89 H new ATOM 0 HB3 CYS B 17 27.338 42.393 19.984 1.00 14.89 H new ATOM 3565 N ASN B 18 25.338 41.681 17.893 1.00 11.73 N ANISOU 3565 N ASN B 18 1486 1923 1046 -273 464 137 N ATOM 3566 CA ASN B 18 24.771 40.402 17.471 1.00 10.98 C ANISOU 3566 CA ASN B 18 1123 1964 1083 -198 233 165 C ATOM 3567 C ASN B 18 25.886 39.374 17.323 1.00 10.99 C ANISOU 3567 C ASN B 18 1189 1997 988 -194 308 100 C ATOM 3568 O ASN B 18 27.003 39.749 16.968 1.00 12.07 O ANISOU 3568 O ASN B 18 1148 2337 1102 -148 422 177 O ATOM 3569 CB ASN B 18 23.915 40.531 16.209 1.00 12.71 C ANISOU 3569 CB ASN B 18 1402 2206 1220 -118 60 217 C ATOM 3570 CG ASN B 18 24.709 40.871 14.972 1.00 12.80 C ANISOU 3570 CG ASN B 18 1478 2210 1177 27 -41 451 C ATOM 3571 OD1 ASN B 18 24.940 42.020 14.586 1.00 16.39 O ANISOU 3571 OD1 ASN B 18 2108 2244 1875 -102 99 548 O ATOM 3572 ND2 ASN B 18 25.134 39.818 14.323 1.00 12.96 N ANISOU 3572 ND2 ASN B 18 1453 2262 1209 -242 216 351 N ATOM 0 H ASN B 18 26.000 41.956 17.417 1.00 11.73 H new ATOM 0 HA ASN B 18 24.162 40.092 18.159 1.00 10.98 H new ATOM 0 HB2 ASN B 18 23.442 39.697 16.061 1.00 12.71 H new ATOM 0 HB3 ASN B 18 23.244 41.216 16.352 1.00 12.71 H new ATOM 0 HD21 ASN B 18 25.591 39.914 13.601 1.00 12.96 H new ATOM 0 HD22 ASN B 18 24.956 39.030 14.618 1.00 12.96 H new ATOM 3579 N CYS B 19 25.566 38.125 17.611 1.00 11.52 N ANISOU 3579 N CYS B 19 1226 1990 1161 -87 526 106 N ATOM 3580 CA CYS B 19 26.544 37.067 17.478 1.00 12.50 C ANISOU 3580 CA CYS B 19 1569 2017 1163 2 406 16 C ATOM 3581 C CYS B 19 26.571 36.594 16.022 1.00 11.93 C ANISOU 3581 C CYS B 19 1410 1938 1186 -216 361 -75 C ATOM 3582 O CYS B 19 25.536 36.133 15.519 1.00 13.57 O ANISOU 3582 O CYS B 19 1433 2284 1439 -222 151 84 O ATOM 3583 CB CYS B 19 26.180 35.922 18.430 1.00 13.33 C ANISOU 3583 CB CYS B 19 1770 2072 1224 99 431 103 C ATOM 3584 SG CYS B 19 27.496 34.672 18.378 1.00 15.68 S ANISOU 3584 SG CYS B 19 1652 2555 1751 265 421 496 S ATOM 0 H CYS B 19 24.791 37.871 17.884 1.00 11.52 H new ATOM 0 HA CYS B 19 27.429 37.388 17.713 1.00 12.50 H new ATOM 0 HB2 CYS B 19 26.073 36.258 19.333 1.00 13.33 H new ATOM 0 HB3 CYS B 19 25.332 35.528 18.171 1.00 13.33 H new ATOM 3589 N THR B 20 27.730 36.705 15.391 1.00 11.59 N ANISOU 3589 N THR B 20 1393 1889 1121 -197 334 205 N ATOM 3590 CA THR B 20 27.856 36.366 13.980 1.00 12.02 C ANISOU 3590 CA THR B 20 1309 2098 1159 -120 289 74 C ATOM 3591 C THR B 20 27.814 34.872 13.746 1.00 12.45 C ANISOU 3591 C THR B 20 1419 2047 1264 -141 338 134 C ATOM 3592 O THR B 20 27.923 34.061 14.685 1.00 13.90 O ANISOU 3592 O THR B 20 1709 2153 1419 28 365 267 O ATOM 3593 CB THR B 20 29.222 36.830 13.389 1.00 11.69 C ANISOU 3593 CB THR B 20 1443 2003 996 -166 252 149 C ATOM 3594 OG1 THR B 20 30.207 36.013 14.043 1.00 14.26 O ANISOU 3594 OG1 THR B 20 1287 2101 2031 -8 347 354 O ATOM 3595 CG2 THR B 20 29.491 38.275 13.728 1.00 12.72 C ANISOU 3595 CG2 THR B 20 1714 1933 1187 -145 271 123 C ATOM 0 H THR B 20 28.458 36.975 15.761 1.00 11.59 H new ATOM 0 HA THR B 20 27.109 36.814 13.554 1.00 12.02 H new ATOM 0 HB THR B 20 29.233 36.746 12.423 1.00 11.69 H new ATOM 0 HG1 THR B 20 30.787 35.773 13.485 1.00 14.26 H new ATOM 0 HG21 THR B 20 30.344 38.543 13.352 1.00 12.72 H new ATOM 0 HG22 THR B 20 28.787 38.831 13.359 1.00 12.72 H new ATOM 0 HG23 THR B 20 29.516 38.382 14.692 1.00 12.72 H new ATOM 3602 N PRO B 21 27.657 34.401 12.517 1.00 12.49 N ANISOU 3602 N PRO B 21 1486 1890 1369 -83 268 149 N ATOM 3603 CA PRO B 21 27.740 32.988 12.189 1.00 13.26 C ANISOU 3603 CA PRO B 21 1573 1854 1610 -320 206 90 C ATOM 3604 C PRO B 21 29.068 32.371 12.623 1.00 14.05 C ANISOU 3604 C PRO B 21 1785 1897 1655 19 142 -104 C ATOM 3605 O PRO B 21 29.119 31.158 12.861 1.00 16.64 O ANISOU 3605 O PRO B 21 2368 1927 2027 44 155 -90 O ATOM 3606 CB PRO B 21 27.506 32.955 10.684 1.00 13.86 C ANISOU 3606 CB PRO B 21 1736 1886 1646 -321 104 43 C ATOM 3607 CG PRO B 21 26.692 34.171 10.389 1.00 14.84 C ANISOU 3607 CG PRO B 21 1846 2021 1771 -158 -132 -141 C ATOM 3608 CD PRO B 21 27.230 35.199 11.331 1.00 12.35 C ANISOU 3608 CD PRO B 21 1328 1908 1456 -256 17 133 C ATOM 0 HA PRO B 21 27.088 32.447 12.662 1.00 13.26 H new ATOM 0 HB2 PRO B 21 28.346 32.969 10.198 1.00 13.86 H new ATOM 0 HB3 PRO B 21 27.038 32.147 10.419 1.00 13.86 H new ATOM 0 HG2 PRO B 21 26.790 34.449 9.465 1.00 14.84 H new ATOM 0 HG3 PRO B 21 25.747 34.011 10.538 1.00 14.84 H new ATOM 0 HD2 PRO B 21 27.974 35.685 10.942 1.00 12.35 H new ATOM 0 HD3 PRO B 21 26.555 35.855 11.567 1.00 12.35 H new ATOM 3616 N THR B 22 30.121 33.154 12.765 1.00 13.78 N ANISOU 3616 N THR B 22 1523 2117 1597 55 208 169 N ATOM 3617 CA THR B 22 31.412 32.649 13.212 1.00 13.84 C ANISOU 3617 CA THR B 22 1682 2008 1570 152 182 237 C ATOM 3618 C THR B 22 31.622 32.682 14.711 1.00 14.35 C ANISOU 3618 C THR B 22 1745 2133 1575 271 190 214 C ATOM 3619 O THR B 22 32.701 32.308 15.202 1.00 16.84 O ANISOU 3619 O THR B 22 1848 2847 1703 498 81 312 O ATOM 3620 CB THR B 22 32.574 33.431 12.548 1.00 13.70 C ANISOU 3620 CB THR B 22 1560 1950 1697 135 186 276 C ATOM 3621 OG1 THR B 22 32.412 34.843 12.754 1.00 13.58 O ANISOU 3621 OG1 THR B 22 1692 1995 1475 270 327 340 O ATOM 3622 CG2 THR B 22 32.567 33.135 11.069 1.00 14.74 C ANISOU 3622 CG2 THR B 22 1559 2203 1837 -287 331 8 C ATOM 0 H THR B 22 30.111 33.999 12.605 1.00 13.78 H new ATOM 0 HA THR B 22 31.410 31.718 12.940 1.00 13.84 H new ATOM 0 HB THR B 22 33.416 33.157 12.945 1.00 13.70 H new ATOM 0 HG1 THR B 22 33.050 35.254 12.394 1.00 13.58 H new ATOM 0 HG21 THR B 22 33.290 33.618 10.639 1.00 14.74 H new ATOM 0 HG22 THR B 22 32.687 32.183 10.929 1.00 14.74 H new ATOM 0 HG23 THR B 22 31.720 33.414 10.687 1.00 14.74 H new ATOM 3629 N GLY B 23 30.626 33.117 15.465 1.00 13.72 N ANISOU 3629 N GLY B 23 1488 2259 1465 34 113 291 N ATOM 3630 CA GLY B 23 30.698 32.986 16.913 1.00 13.64 C ANISOU 3630 CA GLY B 23 1759 1927 1495 248 186 515 C ATOM 3631 C GLY B 23 31.369 34.148 17.595 1.00 13.67 C ANISOU 3631 C GLY B 23 1722 2128 1345 188 138 420 C ATOM 3632 O GLY B 23 31.857 33.908 18.713 1.00 17.60 O ANISOU 3632 O GLY B 23 2611 2473 1605 196 -278 652 O ATOM 0 H GLY B 23 29.909 33.486 15.166 1.00 13.72 H new ATOM 0 HA2 GLY B 23 29.800 32.890 17.266 1.00 13.64 H new ATOM 0 HA3 GLY B 23 31.178 32.172 17.132 1.00 13.64 H new ATOM 3636 N VAL B 24 31.436 35.347 17.014 1.00 13.43 N ANISOU 3636 N VAL B 24 1809 2112 1183 -20 263 403 N ATOM 3637 CA VAL B 24 32.011 36.523 17.667 1.00 14.04 C ANISOU 3637 CA VAL B 24 1532 2231 1571 13 187 324 C ATOM 3638 C VAL B 24 30.918 37.588 17.753 1.00 13.44 C ANISOU 3638 C VAL B 24 1484 2077 1546 -8 49 385 C ATOM 3639 O VAL B 24 29.868 37.547 17.079 1.00 13.84 O ANISOU 3639 O VAL B 24 1529 2419 1311 81 80 63 O ATOM 3640 CB VAL B 24 33.284 37.085 16.993 1.00 14.56 C ANISOU 3640 CB VAL B 24 1470 2319 1745 53 141 455 C ATOM 3641 CG1 VAL B 24 34.410 36.034 16.965 1.00 17.02 C ANISOU 3641 CG1 VAL B 24 1510 2765 2190 309 -16 164 C ATOM 3642 CG2 VAL B 24 33.038 37.556 15.573 1.00 15.41 C ANISOU 3642 CG2 VAL B 24 1456 2721 1679 92 392 486 C ATOM 0 H VAL B 24 31.145 35.501 16.220 1.00 13.43 H new ATOM 0 HA VAL B 24 32.314 36.250 18.547 1.00 14.04 H new ATOM 0 HB VAL B 24 33.548 37.848 17.531 1.00 14.56 H new ATOM 0 HG11 VAL B 24 35.195 36.412 16.538 1.00 17.02 H new ATOM 0 HG12 VAL B 24 34.631 35.772 17.872 1.00 17.02 H new ATOM 0 HG13 VAL B 24 34.114 35.256 16.467 1.00 17.02 H new ATOM 0 HG21 VAL B 24 33.864 37.898 15.197 1.00 15.41 H new ATOM 0 HG22 VAL B 24 32.722 36.813 15.036 1.00 15.41 H new ATOM 0 HG23 VAL B 24 32.370 38.259 15.576 1.00 15.41 H new ATOM 3652 N TRP B 25 31.161 38.560 18.607 1.00 14.33 N ANISOU 3652 N TRP B 25 1287 2446 1711 180 -162 100 N ATOM 3653 CA TRP B 25 30.228 39.657 18.826 1.00 13.80 C ANISOU 3653 CA TRP B 25 1240 2154 1852 -45 -68 161 C ATOM 3654 C TRP B 25 30.508 40.810 17.878 1.00 13.62 C ANISOU 3654 C TRP B 25 1097 2138 1940 -259 113 91 C ATOM 3655 O TRP B 25 31.551 41.448 18.015 1.00 16.93 O ANISOU 3655 O TRP B 25 1130 2681 2622 -423 77 120 O ATOM 3656 CB TRP B 25 30.268 40.172 20.255 1.00 14.44 C ANISOU 3656 CB TRP B 25 1661 1911 1914 -6 -261 73 C ATOM 3657 CG TRP B 25 29.637 39.249 21.242 1.00 16.11 C ANISOU 3657 CG TRP B 25 1744 2523 1854 243 -66 323 C ATOM 3658 CD1 TRP B 25 30.299 38.534 22.194 1.00 19.53 C ANISOU 3658 CD1 TRP B 25 2237 3009 2173 339 -204 655 C ATOM 3659 CD2 TRP B 25 28.248 38.941 21.355 1.00 16.45 C ANISOU 3659 CD2 TRP B 25 1829 2759 1663 174 251 375 C ATOM 3660 NE1 TRP B 25 29.376 37.808 22.880 1.00 21.22 N ANISOU 3660 NE1 TRP B 25 2688 3201 2176 424 104 848 N ATOM 3661 CE2 TRP B 25 28.119 38.023 22.408 1.00 19.97 C ANISOU 3661 CE2 TRP B 25 2485 3082 2022 0 168 682 C ATOM 3662 CE3 TRP B 25 27.106 39.371 20.649 1.00 15.62 C ANISOU 3662 CE3 TRP B 25 1588 2797 1548 -31 200 72 C ATOM 3663 CZ2 TRP B 25 26.880 37.529 22.771 1.00 19.20 C ANISOU 3663 CZ2 TRP B 25 2756 2756 1782 -132 376 483 C ATOM 3664 CZ3 TRP B 25 25.860 38.851 21.037 1.00 16.45 C ANISOU 3664 CZ3 TRP B 25 1846 2891 1515 -299 293 128 C ATOM 3665 CH2 TRP B 25 25.772 37.934 22.098 1.00 18.84 C ANISOU 3665 CH2 TRP B 25 2419 2754 1985 -207 438 277 C ATOM 0 H TRP B 25 31.876 38.608 19.083 1.00 14.33 H new ATOM 0 HA TRP B 25 29.343 39.298 18.654 1.00 13.80 H new ATOM 0 HB2 TRP B 25 31.192 40.323 20.510 1.00 14.44 H new ATOM 0 HB3 TRP B 25 29.819 41.031 20.294 1.00 14.44 H new ATOM 0 HD1 TRP B 25 31.216 38.541 22.347 1.00 19.53 H new ATOM 0 HE1 TRP B 25 29.564 37.279 23.531 1.00 21.22 H new ATOM 0 HE3 TRP B 25 27.175 39.979 19.949 1.00 15.62 H new ATOM 0 HZ2 TRP B 25 26.806 36.923 23.472 1.00 19.20 H new ATOM 0 HZ3 TRP B 25 25.089 39.115 20.589 1.00 16.45 H new ATOM 0 HH2 TRP B 25 24.940 37.598 22.344 1.00 18.84 H new ATOM 3676 N ALA B 26 29.576 41.058 16.978 1.00 11.82 N ANISOU 3676 N ALA B 26 1159 1894 1437 -252 367 49 N ATOM 3677 CA ALA B 26 29.586 42.181 16.081 1.00 11.60 C ANISOU 3677 CA ALA B 26 1231 1909 1267 -551 476 -1 C ATOM 3678 C ALA B 26 28.939 43.348 16.835 1.00 11.53 C ANISOU 3678 C ALA B 26 1467 1813 1103 -373 619 222 C ATOM 3679 O ALA B 26 27.724 43.266 17.067 1.00 13.95 O ANISOU 3679 O ALA B 26 1531 2157 1612 -502 749 -252 O ATOM 3680 CB ALA B 26 28.806 41.873 14.812 1.00 13.93 C ANISOU 3680 CB ALA B 26 1553 2407 1334 -356 246 -124 C ATOM 0 H ALA B 26 28.890 40.550 16.872 1.00 11.82 H new ATOM 0 HA ALA B 26 30.492 42.395 15.810 1.00 11.60 H new ATOM 0 HB1 ALA B 26 28.827 42.644 14.224 1.00 13.93 H new ATOM 0 HB2 ALA B 26 29.207 41.113 14.362 1.00 13.93 H new ATOM 0 HB3 ALA B 26 27.886 41.666 15.040 1.00 13.93 H new ATOM 3686 N CYS B 27 29.688 44.370 17.207 1.00 11.27 N ANISOU 3686 N CYS B 27 1282 1641 1358 -126 292 241 N ATOM 3687 CA CYS B 27 29.189 45.468 18.031 1.00 11.22 C ANISOU 3687 CA CYS B 27 1314 1758 1193 -134 38 234 C ATOM 3688 C CYS B 27 29.312 46.822 17.358 1.00 8.87 C ANISOU 3688 C CYS B 27 1178 1607 583 -271 239 -104 C ATOM 3689 O CYS B 27 30.323 47.076 16.695 1.00 9.91 O ANISOU 3689 O CYS B 27 1040 2048 679 -245 212 -20 O ATOM 3690 CB ACYS B 27 29.924 45.557 19.372 0.65 13.55 C ANISOU 3690 CB ACYS B 27 1941 1883 1325 -75 -293 308 C ATOM 3691 CB BCYS B 27 30.009 45.464 19.324 0.35 12.91 C ANISOU 3691 CB BCYS B 27 1704 1874 1326 -181 -185 340 C ATOM 3692 SG ACYS B 27 29.568 44.146 20.450 0.65 14.53 S ANISOU 3692 SG ACYS B 27 1801 2274 1447 -85 -57 552 S ATOM 3693 SG BCYS B 27 29.611 46.760 20.500 0.35 22.77 S ANISOU 3693 SG BCYS B 27 3277 3310 2063 -377 122 -840 S ATOM 0 H CYS B 27 30.515 44.452 16.987 1.00 11.27 H new ATOM 0 HA CYS B 27 28.251 45.261 18.168 1.00 11.22 H new ATOM 0 HB2ACYS B 27 30.879 45.605 19.212 0.65 12.91 H new ATOM 0 HB2BCYS B 27 29.890 44.606 19.761 0.35 12.91 H new ATOM 0 HB3ACYS B 27 29.670 46.377 19.823 0.65 12.91 H new ATOM 0 HB3BCYS B 27 30.948 45.537 19.093 0.35 12.91 H new ATOM 0 HG BCYS B 27 28.688 46.412 21.183 0.35 22.77 H new ATOM 3700 N THR B 28 28.309 47.654 17.541 1.00 9.53 N ANISOU 3700 N THR B 28 1306 1578 738 -214 325 -170 N ATOM 3701 CA THR B 28 28.413 49.037 17.066 1.00 9.26 C ANISOU 3701 CA THR B 28 1185 1704 628 -235 180 -25 C ATOM 3702 C THR B 28 29.531 49.823 17.813 1.00 8.88 C ANISOU 3702 C THR B 28 1180 1663 530 -233 252 -134 C ATOM 3703 O THR B 28 30.003 49.421 18.817 1.00 10.29 O ANISOU 3703 O THR B 28 1305 2008 596 -399 131 4 O ATOM 3704 CB THR B 28 27.088 49.673 17.193 1.00 10.22 C ANISOU 3704 CB THR B 28 1158 1814 913 -201 190 -20 C ATOM 3705 OG1 THR B 28 26.658 49.664 18.584 1.00 11.55 O ANISOU 3705 OG1 THR B 28 1212 2126 1052 -224 394 -79 O ATOM 3706 CG2 THR B 28 25.940 49.153 16.313 1.00 13.08 C ANISOU 3706 CG2 THR B 28 1231 2437 1301 -380 67 -254 C ATOM 0 H THR B 28 27.568 47.454 17.929 1.00 9.53 H new ATOM 0 HA THR B 28 28.677 49.045 16.133 1.00 9.26 H new ATOM 0 HB THR B 28 27.254 50.566 16.851 1.00 10.22 H new ATOM 0 HG1 THR B 28 26.963 50.342 18.976 1.00 11.55 H new ATOM 0 HG21 THR B 28 25.134 49.659 16.500 1.00 13.08 H new ATOM 0 HG22 THR B 28 26.176 49.257 15.378 1.00 13.08 H new ATOM 0 HG23 THR B 28 25.784 48.215 16.505 1.00 13.08 H new ATOM 3714 N ARG B 29 29.813 50.964 17.171 1.00 9.07 N ANISOU 3714 N ARG B 29 998 1727 721 -185 169 -79 N ATOM 3715 CA ARG B 29 30.959 51.763 17.530 1.00 9.63 C ANISOU 3715 CA ARG B 29 1045 1799 813 -270 184 -31 C ATOM 3716 C ARG B 29 30.608 53.181 18.007 1.00 9.85 C ANISOU 3716 C ARG B 29 1074 1890 779 -309 132 -171 C ATOM 3717 O ARG B 29 31.321 54.170 17.781 1.00 9.90 O ANISOU 3717 O ARG B 29 1126 1902 732 -331 110 -153 O ATOM 3718 CB ARG B 29 32.045 51.625 16.407 1.00 9.18 C ANISOU 3718 CB ARG B 29 1095 1777 617 -228 146 159 C ATOM 3719 CG ARG B 29 32.690 50.344 16.350 1.00 10.63 C ANISOU 3719 CG ARG B 29 1013 2042 983 -101 223 2 C ATOM 3720 CD ARG B 29 33.600 50.272 15.121 1.00 11.10 C ANISOU 3720 CD ARG B 29 1296 2006 915 -11 217 2 C ATOM 3721 NE ARG B 29 34.324 49.003 15.291 1.00 10.85 N ANISOU 3721 NE ARG B 29 1400 1959 762 -20 221 -24 N ATOM 3722 CZ ARG B 29 35.357 48.644 14.568 1.00 9.78 C ANISOU 3722 CZ ARG B 29 1108 1953 656 -47 -12 0 C ATOM 3723 NH1 ARG B 29 35.703 49.337 13.514 1.00 9.35 N ANISOU 3723 NH1 ARG B 29 1102 1641 809 -127 119 -105 N ATOM 3724 NH2 ARG B 29 36.072 47.567 14.844 1.00 10.65 N ANISOU 3724 NH2 ARG B 29 1070 1988 989 -88 -26 184 N ATOM 0 H ARG B 29 29.344 51.282 16.525 1.00 9.07 H new ATOM 0 HA ARG B 29 31.367 51.416 18.339 1.00 9.63 H new ATOM 0 HB2 ARG B 29 31.629 51.803 15.549 1.00 9.18 H new ATOM 0 HB3 ARG B 29 32.721 52.308 16.542 1.00 9.18 H new ATOM 0 HG2 ARG B 29 33.210 50.199 17.156 1.00 10.63 H new ATOM 0 HG3 ARG B 29 32.024 49.639 16.311 1.00 10.63 H new ATOM 0 HD2 ARG B 29 33.087 50.281 14.298 1.00 11.10 H new ATOM 0 HD3 ARG B 29 34.209 51.026 15.084 1.00 11.10 H new ATOM 0 HE ARG B 29 34.053 48.463 15.903 1.00 10.85 H new ATOM 0 HH11 ARG B 29 35.252 50.034 13.291 1.00 9.35 H new ATOM 0 HH12 ARG B 29 36.382 49.096 13.044 1.00 9.35 H new ATOM 0 HH21 ARG B 29 35.865 47.074 15.518 1.00 10.65 H new ATOM 0 HH22 ARG B 29 36.744 47.359 14.350 1.00 10.65 H new ATOM 3738 N LYS B 30 29.475 53.283 18.736 1.00 10.95 N ANISOU 3738 N LYS B 30 1379 1874 907 -377 400 -247 N ATOM 3739 CA LYS B 30 29.210 54.580 19.408 1.00 11.08 C ANISOU 3739 CA LYS B 30 1296 1940 972 -338 300 -317 C ATOM 3740 C LYS B 30 30.113 54.839 20.662 1.00 10.25 C ANISOU 3740 C LYS B 30 1113 1893 889 -316 381 -261 C ATOM 3741 O LYS B 30 30.532 53.833 21.265 1.00 12.58 O ANISOU 3741 O LYS B 30 1577 2062 1140 -304 316 -4 O ATOM 3742 CB LYS B 30 27.735 54.615 19.816 1.00 10.86 C ANISOU 3742 CB LYS B 30 1212 1870 1046 -229 135 -96 C ATOM 3743 CG LYS B 30 26.692 54.411 18.813 1.00 11.90 C ANISOU 3743 CG LYS B 30 1401 1824 1297 -346 -28 -260 C ATOM 3744 CD LYS B 30 25.233 54.406 19.365 1.00 13.82 C ANISOU 3744 CD LYS B 30 1271 2076 1905 -140 -93 -140 C ATOM 3745 CE LYS B 30 25.078 53.413 20.466 1.00 18.38 C ANISOU 3745 CE LYS B 30 1748 2905 2332 -406 443 324 C ATOM 3746 NZ LYS B 30 23.576 53.576 20.798 1.00 23.46 N ANISOU 3746 NZ LYS B 30 1861 4166 2887 -312 719 300 N ATOM 0 H LYS B 30 28.887 52.665 18.850 1.00 10.95 H new ATOM 0 HA LYS B 30 29.425 55.285 18.777 1.00 11.08 H new ATOM 0 HB2 LYS B 30 27.610 53.941 20.503 1.00 10.86 H new ATOM 0 HB3 LYS B 30 27.571 55.476 20.231 1.00 10.86 H new ATOM 0 HG2 LYS B 30 26.767 55.108 18.143 1.00 11.90 H new ATOM 0 HG3 LYS B 30 26.856 53.567 18.364 1.00 11.90 H new ATOM 0 HD2 LYS B 30 25.004 55.291 19.689 1.00 13.82 H new ATOM 0 HD3 LYS B 30 24.614 54.198 18.648 1.00 13.82 H new ATOM 0 HE2 LYS B 30 25.295 52.512 20.181 1.00 18.38 H new ATOM 0 HE3 LYS B 30 25.646 53.615 21.226 1.00 18.38 H new ATOM 0 HZ1 LYS B 30 23.366 53.053 21.487 1.00 23.46 H new ATOM 0 HZ2 LYS B 30 23.409 54.424 21.008 1.00 23.46 H new ATOM 0 HZ3 LYS B 30 23.088 53.344 20.090 1.00 23.46 H new ATOM 3760 N GLY B 31 30.210 56.105 20.981 1.00 11.09 N ANISOU 3760 N GLY B 31 994 1941 1277 -314 300 395 N ATOM 3761 CA GLY B 31 30.850 56.433 22.276 1.00 14.33 C ANISOU 3761 CA GLY B 31 1748 2177 1520 -363 12 -629 C ATOM 3762 C GLY B 31 29.755 56.479 23.381 1.00 16.06 C ANISOU 3762 C GLY B 31 2354 2331 1417 46 296 -452 C ATOM 3763 O GLY B 31 28.648 56.793 23.131 1.00 17.25 O ANISOU 3763 O GLY B 31 2266 2628 1658 53 663 44 O ATOM 0 H GLY B 31 29.937 56.770 20.509 1.00 11.09 H new ATOM 0 HA2 GLY B 31 31.521 55.769 22.496 1.00 14.33 H new ATOM 0 HA3 GLY B 31 31.305 57.288 22.219 1.00 14.33 H new ATOM 3767 N CYS B 32 30.189 55.944 24.508 1.00 19.72 N ANISOU 3767 N CYS B 32 2799 2916 1780 -490 -106 69 N ATOM 3768 CA CYS B 32 29.216 55.837 25.595 1.00 21.38 C ANISOU 3768 CA CYS B 32 3372 3055 1698 -720 101 87 C ATOM 3769 C CYS B 32 29.574 56.711 26.796 1.00 24.34 C ANISOU 3769 C CYS B 32 3611 3332 2306 -559 17 -514 C ATOM 3770 O CYS B 32 30.694 56.589 27.258 1.00 26.39 O ANISOU 3770 O CYS B 32 4053 3480 2492 -339 -538 -549 O ATOM 3771 CB CYS B 32 29.065 54.404 26.083 1.00 22.77 C ANISOU 3771 CB CYS B 32 3925 2894 1832 -351 552 -88 C ATOM 3772 SG CYS B 32 28.749 53.226 24.758 1.00 23.63 S ANISOU 3772 SG CYS B 32 3765 3224 1990 -894 733 -303 S ATOM 0 H CYS B 32 30.983 55.653 24.666 1.00 19.72 H new ATOM 0 HA CYS B 32 28.379 56.147 25.215 1.00 21.38 H new ATOM 0 HB2 CYS B 32 29.872 54.143 26.553 1.00 22.77 H new ATOM 0 HB3 CYS B 32 28.338 54.363 26.724 1.00 22.77 H new ATOM 3777 N PRO B 33 28.664 57.544 27.262 1.00 30.22 N ANISOU 3777 N PRO B 33 4011 3789 3681 -284 404 -926 N ATOM 3778 CA PRO B 33 29.037 58.429 28.380 1.00 33.81 C ANISOU 3778 CA PRO B 33 4711 4297 3837 321 103 1360 C ATOM 3779 C PRO B 33 29.541 57.754 29.651 1.00 38.71 C ANISOU 3779 C PRO B 33 5380 5074 4253 40 -460 -846 C ATOM 3780 O PRO B 33 30.142 58.549 30.425 1.00 42.49 O ANISOU 3780 O PRO B 33 5727 5732 4685 -129 -931 1022 O ATOM 3781 CB PRO B 33 27.747 59.219 28.658 1.00 35.75 C ANISOU 3781 CB PRO B 33 4703 4547 4335 305 411 1311 C ATOM 3782 CG PRO B 33 26.970 59.158 27.388 1.00 35.36 C ANISOU 3782 CG PRO B 33 4599 4361 4474 351 276 -811 C ATOM 3783 CD PRO B 33 27.288 57.810 26.787 1.00 33.07 C ANISOU 3783 CD PRO B 33 4044 4398 4124 34 336 -971 C ATOM 0 HA PRO B 33 29.805 58.963 28.122 1.00 33.81 H new ATOM 0 HB2 PRO B 33 27.249 58.829 29.393 1.00 35.75 H new ATOM 0 HB3 PRO B 33 27.944 60.136 28.905 1.00 35.75 H new ATOM 0 HG2 PRO B 33 26.019 59.251 27.555 1.00 35.36 H new ATOM 0 HG3 PRO B 33 27.224 59.877 26.788 1.00 35.36 H new ATOM 0 HD2 PRO B 33 26.667 57.128 27.088 1.00 33.07 H new ATOM 0 HD3 PRO B 33 27.241 57.829 25.818 1.00 33.07 H new ATOM 3791 N PRO B 34 29.444 56.490 30.035 1.00 43.35 N ANISOU 3791 N PRO B 34 5832 5414 5227 -235 -373 -116 N ATOM 3792 CA PRO B 34 30.324 55.916 31.076 1.00 45.17 C ANISOU 3792 CA PRO B 34 5756 5689 5717 -179 -404 285 C ATOM 3793 C PRO B 34 31.778 56.372 31.027 1.00 46.96 C ANISOU 3793 C PRO B 34 5715 6013 6116 -167 -374 350 C ATOM 3794 CB PRO B 34 30.274 54.408 30.754 1.00 46.06 C ANISOU 3794 CB PRO B 34 5907 5705 5889 -40 -258 231 C ATOM 3795 CG PRO B 34 28.818 54.226 30.413 1.00 45.36 C ANISOU 3795 CG PRO B 34 5928 5531 5774 -229 -208 233 C ATOM 3796 CD PRO B 34 28.458 55.460 29.629 1.00 44.15 C ANISOU 3796 CD PRO B 34 5742 5355 5679 -301 -282 63 C ATOM 0 HA PRO B 34 30.020 56.187 31.956 1.00 45.17 H new ATOM 0 HB2 PRO B 34 30.855 54.173 30.014 1.00 46.06 H new ATOM 0 HB3 PRO B 34 30.543 53.863 31.510 1.00 46.06 H new ATOM 0 HG2 PRO B 34 28.675 53.421 29.890 1.00 45.36 H new ATOM 0 HG3 PRO B 34 28.275 54.145 31.213 1.00 45.36 H new ATOM 0 HD2 PRO B 34 28.501 55.292 28.675 1.00 44.15 H new ATOM 0 HD3 PRO B 34 27.552 55.747 29.826 1.00 44.15 H new TER 3804 PRO B 34 HETATM 3805 CD CD A 401 38.363 72.999 19.340 1.00 18.09 CD ANISOU 3805 CD CD A 401 2279 2592 2000 -305 245 1014 CD HETATM 3806 CD CD A 402 48.293 50.181 3.333 0.80 7.61 CD ANISOU 3806 CD CD A 402 566 1514 812 -52 96 401 CD HETATM 3807 CD CD A 403 9.922 65.429 8.003 0.47 13.92 CD ANISOU 3807 CD CD A 403 1057 2472 1762 -64 28 68 CD HETATM 3808 CD CD A 404 49.133 63.780 19.491 0.69 27.06 CD ANISOU 3808 CD CD A 404 2015 5268 2998 906 625 808 CD HETATM 3809 CD CD A 405 31.088 45.511 -0.265 0.54 6.80 CD ANISOU 3809 CD CD A 405 465 1525 592 -24 30 324 CD HETATM 3810 CD CD A 406 31.246 58.369 -14.210 0.43 40.51 CD ANISOU 3810 CD CD A 406 7035 6409 1950 200 1747 1786 CD HETATM 3811 CL CL A 407 50.843 50.376 3.369 0.80 11.40 CL ANISOU 3811 CL CL A 407 821 2296 1217 -76 80 140 CL HETATM 3812 CL CL A 408 47.699 50.792 5.618 0.80 11.77 CL ANISOU 3812 CL CL A 408 860 2190 1423 -276 274 889 CL HETATM 3813 O HOH A 409 31.616 53.511 -1.503 1.00 8.71 O ANISOU 3813 O HOH A 409 873 1658 777 -207 12 -69 O HETATM 3814 O HOH A 410 38.580 79.810 8.200 1.00 28.08 O ANISOU 3814 O HOH A 410 3452 3330 3888 -1212 -172 793 O HETATM 3815 O HOH A 411 29.736 59.918 7.574 1.00 10.69 O ANISOU 3815 O HOH A 411 1376 1621 1064 -87 144 -95 O HETATM 3816 O HOH A 412 24.165 44.235 -0.037 1.00 10.58 O ANISOU 3816 O HOH A 412 767 1723 1531 -30 -542 147 O HETATM 3817 O HOH A 413 45.854 49.077 -0.253 1.00 9.10 O ANISOU 3817 O HOH A 413 696 1718 1044 242 19 403 O HETATM 3818 O HOH A 414 38.230 60.522 6.659 1.00 10.17 O ANISOU 3818 O HOH A 414 860 1717 1288 -218 295 402 O HETATM 3819 O HOH A 415 25.120 49.189 6.201 1.00 10.39 O ANISOU 3819 O HOH A 415 1342 1838 767 432 245 -263 O HETATM 3820 O HOH A 416 43.466 44.051 2.135 1.00 9.44 O ANISOU 3820 O HOH A 416 811 1721 1053 116 220 -76 O HETATM 3821 O HOH A 417 41.409 35.424 3.266 1.00 11.55 O ANISOU 3821 O HOH A 417 1385 1850 1153 94 88 11 O HETATM 3822 O HOH A 418 44.176 43.794 4.795 1.00 11.19 O ANISOU 3822 O HOH A 418 934 2145 1172 258 147 330 O HETATM 3823 O HOH A 419 38.758 44.295 15.522 1.00 11.93 O ANISOU 3823 O HOH A 419 1051 2394 1087 83 117 15 O HETATM 3824 O HOH A 420 39.046 49.806 10.003 1.00 10.64 O ANISOU 3824 O HOH A 420 746 2220 1078 -6 -95 195 O HETATM 3825 O HOH A 421 33.473 47.204 17.574 1.00 11.92 O ANISOU 3825 O HOH A 421 1275 2364 891 79 122 -13 O HETATM 3826 O HOH A 422 41.704 55.216 -1.891 1.00 11.88 O ANISOU 3826 O HOH A 422 1260 2219 1036 87 91 -78 O HETATM 3827 O HOH A 423 34.246 60.411 15.813 1.00 10.02 O ANISOU 3827 O HOH A 423 730 1971 1104 -197 241 553 O HETATM 3828 O HOH A 424 30.473 34.446 -1.348 1.00 14.08 O ANISOU 3828 O HOH A 424 873 2027 2451 43 -175 64 O HETATM 3829 O HOH A 425 38.851 71.288 9.708 1.00 20.11 O ANISOU 3829 O HOH A 425 2431 2739 2470 -144 218 -634 O HETATM 3830 O HOH A 426 34.416 77.871 10.831 1.00 18.58 O ANISOU 3830 O HOH A 426 1794 3084 2180 -15 206 -327 O HETATM 3831 O HOH A 427 26.041 38.468 2.150 1.00 13.13 O ANISOU 3831 O HOH A 427 923 2244 1821 -160 153 192 O HETATM 3832 O HOH A 428 30.947 33.731 0.985 0.50 15.19 O ANISOU 3832 O HOH A 428 1814 1662 2295 -300 1377 -22 O HETATM 3833 O HOH A 429 40.810 68.216 10.102 1.00 15.91 O ANISOU 3833 O HOH A 429 1638 2545 1864 -322 500 -220 O HETATM 3834 O HOH A 430 38.300 68.744 10.835 1.00 28.81 O ANISOU 3834 O HOH A 430 3449 4345 3152 -1065 -90 618 O HETATM 3835 O HOH A 431 40.225 58.622 17.708 1.00 13.30 O ANISOU 3835 O HOH A 431 1007 2715 1330 -368 250 -617 O HETATM 3836 O HOH A 432 36.348 68.525 1.780 1.00 20.68 O ANISOU 3836 O HOH A 432 2174 2626 3059 -154 114 -335 O HETATM 3837 O HOH A 433 12.295 64.749 7.884 1.00 19.51 O ANISOU 3837 O HOH A 433 1677 2846 2891 456 -96 -258 O HETATM 3838 O HOH A 434 43.293 54.120 24.718 1.00 23.85 O ANISOU 3838 O HOH A 434 3574 3300 2189 -387 -932 -579 O HETATM 3839 O HOH A 435 18.261 68.653 18.487 1.00 15.66 O ANISOU 3839 O HOH A 435 1817 2331 1803 75 460 -528 O HETATM 3840 O HOH A 436 20.238 47.645 0.520 1.00 13.19 O ANISOU 3840 O HOH A 436 777 2328 1904 -25 -117 382 O HETATM 3841 O HOH A 437 34.383 68.901 13.336 1.00 17.41 O ANISOU 3841 O HOH A 437 2495 1912 2209 -436 -150 -370 O HETATM 3842 O HOH A 438 22.034 45.850 1.760 1.00 13.25 O ANISOU 3842 O HOH A 438 784 2658 1592 -110 13 147 O HETATM 3843 O HOH A 439 34.303 70.117 9.756 1.00 18.66 O ANISOU 3843 O HOH A 439 3179 2244 1666 -249 739 -656 O HETATM 3844 O HOH A 440 32.915 57.585 -8.180 1.00 20.22 O ANISOU 3844 O HOH A 440 1518 3144 3020 31 450 -178 O HETATM 3845 O HOH A 441 25.057 41.703 9.456 1.00 12.31 O ANISOU 3845 O HOH A 441 1414 1761 1501 31 579 -101 O HETATM 3846 O HOH A 442 45.004 56.854 17.023 1.00 14.70 O ANISOU 3846 O HOH A 442 1163 2673 1750 7 -259 -658 O HETATM 3847 O HOH A 443 21.784 49.725 -3.668 1.00 16.64 O ANISOU 3847 O HOH A 443 1601 2000 2722 -392 -194 -798 O HETATM 3848 O HOH A 444 23.291 40.237 7.886 1.00 15.38 O ANISOU 3848 O HOH A 444 1376 2830 1638 419 -103 -203 O HETATM 3849 O HOH A 445 40.221 36.716 5.408 0.50 9.13 O ANISOU 3849 O HOH A 445 638 2555 274 694 -130 -77 O HETATM 3850 O HOH A 446 39.571 52.573 -8.949 1.00 20.92 O ANISOU 3850 O HOH A 446 2671 3508 1770 -473 497 -303 O HETATM 3851 O HOH A 447 45.667 72.150 13.596 1.00 28.58 O ANISOU 3851 O HOH A 447 3431 3358 4072 -434 -504 -574 O HETATM 3852 O HOH A 448 17.467 70.340 20.574 1.00 19.11 O ANISOU 3852 O HOH A 448 2778 2710 1773 339 216 -73 O HETATM 3853 O HOH A 449 41.588 44.579 12.631 1.00 16.66 O ANISOU 3853 O HOH A 449 1912 2387 2030 -222 -528 410 O HETATM 3854 O HOH A 450 43.059 48.845 -0.300 1.00 15.50 O ANISOU 3854 O HOH A 450 1426 3212 1252 -400 207 -75 O HETATM 3855 O HOH A 451 42.286 46.261 -0.990 1.00 16.08 O ANISOU 3855 O HOH A 451 1410 2882 1818 -197 107 -197 O HETATM 3856 O HOH A 452 37.497 66.435 0.470 1.00 31.40 O ANISOU 3856 O HOH A 452 4177 3878 3875 -111 -913 -842 O HETATM 3857 O HOH A 453 26.173 73.935 -1.643 1.00 23.07 O ANISOU 3857 O HOH A 453 3543 3030 2193 415 -244 326 O HETATM 3858 O HOH A 454 40.882 47.287 -2.629 1.00 20.77 O ANISOU 3858 O HOH A 454 2168 3345 2380 531 1200 187 O HETATM 3859 O HOH A 455 38.081 50.240 -8.328 1.00 15.37 O ANISOU 3859 O HOH A 455 1824 2334 1684 77 423 -279 O HETATM 3860 O HOH A 456 33.113 54.391 -11.107 1.00 34.14 O ANISOU 3860 O HOH A 456 4958 4782 3232 156 -455 40 O HETATM 3861 O HOH A 457 41.819 47.596 -7.038 1.00 13.34 O ANISOU 3861 O HOH A 457 1108 2254 1706 238 -35 -327 O HETATM 3862 O HOH A 458 46.210 53.629 19.156 1.00 18.72 O ANISOU 3862 O HOH A 458 1915 3336 1861 -172 -540 -650 O HETATM 3863 O HOH A 459 41.725 58.729 0.845 1.00 15.83 O ANISOU 3863 O HOH A 459 1877 2284 1856 -273 113 -262 O HETATM 3864 O HOH A 460 41.560 61.537 0.968 1.00 19.44 O ANISOU 3864 O HOH A 460 2405 3074 1905 -377 664 -444 O HETATM 3865 O HOH A 461 33.869 50.368 11.354 1.00 14.26 O ANISOU 3865 O HOH A 461 1680 2303 1436 -414 321 -346 O HETATM 3866 O HOH A 462 33.379 69.972 20.421 1.00 21.67 O ANISOU 3866 O HOH A 462 2436 3220 2578 -527 329 -664 O HETATM 3867 O HOH A 463 9.203 62.184 15.735 1.00 19.53 O ANISOU 3867 O HOH A 463 599 3053 3766 -257 180 213 O HETATM 3868 O HOH A 464 16.122 43.146 13.654 1.00 25.89 O ANISOU 3868 O HOH A 464 3558 3583 2696 -48 177 259 O HETATM 3869 O HOH A 465 42.139 42.951 10.051 1.00 23.63 O ANISOU 3869 O HOH A 465 1935 4399 2644 -1234 1003 1170 O HETATM 3870 O HOH A 466 12.941 53.532 13.970 1.00 22.63 O ANISOU 3870 O HOH A 466 2826 2772 3000 -377 -204 426 O HETATM 3871 O HOH A 467 21.859 66.484 -3.561 1.00 25.97 O ANISOU 3871 O HOH A 467 2720 3578 3569 595 -732 -3 O HETATM 3872 O HOH A 468 34.715 44.945 1.733 1.00 13.16 O ANISOU 3872 O HOH A 468 1661 2020 1318 633 -254 -720 O HETATM 3873 O HOH A 469 32.842 51.408 -3.017 1.00 10.67 O ANISOU 3873 O HOH A 469 1018 2016 1019 56 289 -198 O HETATM 3874 O HOH A 470 16.226 41.832 11.543 1.00 22.24 O ANISOU 3874 O HOH A 470 3077 3071 2303 -826 85 627 O HETATM 3875 O HOH A 471 13.478 58.116 3.951 1.00 18.58 O ANISOU 3875 O HOH A 471 2465 2212 2383 -136 355 -824 O HETATM 3876 O HOH A 472 28.895 66.309 -1.058 1.00 14.77 O ANISOU 3876 O HOH A 472 1535 2446 1630 136 214 -87 O HETATM 3877 O HOH A 473 43.453 41.256 5.660 1.00 14.23 O ANISOU 3877 O HOH A 473 1559 1950 1899 55 235 21 O HETATM 3878 O HOH A 474 17.772 43.653 5.921 1.00 15.67 O ANISOU 3878 O HOH A 474 1367 2183 2404 -279 -301 96 O HETATM 3879 O HOH A 475 15.454 62.690 20.164 0.50 7.03 O ANISOU 3879 O HOH A 475 1068 984 617 -229 21 -440 O HETATM 3880 O HOH A 476 42.032 40.996 8.119 1.00 16.50 O ANISOU 3880 O HOH A 476 1553 2576 2138 -42 222 172 O HETATM 3881 O HOH A 477 30.430 68.100 -2.847 1.00 27.89 O ANISOU 3881 O HOH A 477 3487 4152 2959 -133 -157 216 O HETATM 3882 O HOH A 478 40.770 62.668 3.335 1.00 17.90 O ANISOU 3882 O HOH A 478 1785 3386 1631 -155 428 -542 O HETATM 3883 O HOH A 479 47.837 58.253 10.385 1.00 19.13 O ANISOU 3883 O HOH A 479 1968 2469 2830 -192 -264 -293 O HETATM 3884 O HOH A 480 34.635 32.543 -0.148 1.00 16.31 O ANISOU 3884 O HOH A 480 1846 2293 2057 384 14 -254 O HETATM 3885 O HOH A 481 24.068 31.168 4.922 1.00 28.36 O ANISOU 3885 O HOH A 481 3851 3593 3329 -129 -471 -680 O HETATM 3886 O HOH A 482 15.963 45.595 6.636 1.00 18.85 O ANISOU 3886 O HOH A 482 1819 1821 3524 -13 70 -8 O HETATM 3887 O HOH A 483 46.339 58.543 7.956 1.00 17.70 O ANISOU 3887 O HOH A 483 2360 2106 2260 -354 210 -996 O HETATM 3888 O HOH A 484 9.153 55.782 8.735 1.00 17.85 O ANISOU 3888 O HOH A 484 484 4197 2100 -327 276 -317 O HETATM 3889 O HOH A 485 48.141 55.186 9.502 1.00 17.79 O ANISOU 3889 O HOH A 485 1023 3444 2291 -287 -58 451 O HETATM 3890 O HOH A 486 44.944 37.875 10.201 1.00 27.94 O ANISOU 3890 O HOH A 486 3387 3851 3380 544 -82 1211 O HETATM 3891 O HOH A 487 22.531 51.024 -8.253 0.50 8.10 O ANISOU 3891 O HOH A 487 1102 1106 871 -406 -307 -118 O HETATM 3892 O HOH A 488 35.773 63.425 -5.435 1.00 22.14 O ANISOU 3892 O HOH A 488 3092 3359 1960 340 531 581 O HETATM 3893 O HOH A 489 28.561 64.942 -3.505 1.00 19.04 O ANISOU 3893 O HOH A 489 2260 2455 2520 66 -295 -169 O HETATM 3894 O HOH A 490 35.640 65.501 -1.480 1.00 14.54 O ANISOU 3894 O HOH A 490 1665 2323 1538 -223 378 -159 O HETATM 3895 O HOH A 491 34.623 58.901 21.582 1.00 23.29 O ANISOU 3895 O HOH A 491 2125 4108 2617 -597 309 -889 O HETATM 3896 O HOH A 492 12.344 62.857 10.060 1.00 27.09 O ANISOU 3896 O HOH A 492 1820 4767 3704 355 -258 -20 O HETATM 3897 O HOH A 493 21.804 43.794 18.129 1.00 21.79 O ANISOU 3897 O HOH A 493 2838 3136 2305 -257 -259 826 O HETATM 3898 O HOH A 494 13.676 59.054 9.880 1.00 16.57 O ANISOU 3898 O HOH A 494 1346 2556 2394 66 833 -469 O HETATM 3899 O HOH A 495 48.233 49.968 17.180 1.00 23.04 O ANISOU 3899 O HOH A 495 2171 3699 2884 127 -756 -555 O HETATM 3900 O HOH A 496 47.323 68.528 15.204 1.00 23.59 O ANISOU 3900 O HOH A 496 2804 2949 3211 -236 -960 -275 O HETATM 3901 O HOH A 497 34.017 51.053 -10.125 1.00 20.16 O ANISOU 3901 O HOH A 497 2714 3802 1144 269 350 -222 O HETATM 3902 O HOH A 498 39.286 33.778 11.021 0.50 21.61 O ANISOU 3902 O HOH A 498 2418 2883 2910 153 1343 254 O HETATM 3903 O HOH A 499 18.491 41.877 7.929 1.00 14.69 O ANISOU 3903 O HOH A 499 1186 2641 1756 81 104 216 O HETATM 3904 O HOH A 500 20.680 65.133 24.651 1.00 21.74 O ANISOU 3904 O HOH A 500 2660 3190 2410 -649 69 1179 O HETATM 3905 O HOH A 501 36.097 34.234 13.177 1.00 24.39 O ANISOU 3905 O HOH A 501 3010 3332 2926 -277 -461 224 O HETATM 3906 O HOH A 502 35.125 31.239 8.623 1.00 26.75 O ANISOU 3906 O HOH A 502 3512 3357 3293 138 -299 106 O HETATM 3907 O HOH A 503 13.920 52.447 9.954 1.00 22.01 O ANISOU 3907 O HOH A 503 1889 3577 2896 2 -356 -73 O HETATM 3908 O HOH A 504 36.326 50.915 22.883 1.00 20.02 O ANISOU 3908 O HOH A 504 2804 2830 1974 -511 49 167 O HETATM 3909 O HOH A 505 21.581 49.367 16.420 1.00 25.95 O ANISOU 3909 O HOH A 505 3403 3358 3099 -386 -111 -312 O HETATM 3910 O HOH A 506 13.215 58.319 6.812 1.00 22.54 O ANISOU 3910 O HOH A 506 2374 3491 2700 425 66 -410 O HETATM 3911 O HOH A 507 52.073 45.340 7.039 1.00 17.36 O ANISOU 3911 O HOH A 507 1769 2527 2300 -97 -552 -229 O HETATM 3912 O HOH A 508 43.587 80.151 2.519 1.00 28.78 O ANISOU 3912 O HOH A 508 4646 3044 3246 -160 -589 400 O HETATM 3913 O HOH A 509 25.782 58.342 -9.217 1.00 23.05 O ANISOU 3913 O HOH A 509 2548 2755 3456 113 -320 1365 O HETATM 3914 O HOH A 510 47.781 65.810 10.366 1.00 20.68 O ANISOU 3914 O HOH A 510 2077 3376 2407 -514 257 -307 O HETATM 3915 O HOH A 511 42.324 38.092 16.767 1.00 23.19 O ANISOU 3915 O HOH A 511 3180 3120 2511 -27 431 929 O HETATM 3916 O HOH A 512 44.392 63.709 22.016 1.00 28.10 O ANISOU 3916 O HOH A 512 3601 3882 3192 -121 -642 -118 O HETATM 3917 O HOH A 513 47.928 59.920 17.899 1.00 25.67 O ANISOU 3917 O HOH A 513 1699 4404 3649 -65 -560 -244 O HETATM 3918 O HOH A 514 40.540 38.242 18.949 1.00 24.64 O ANISOU 3918 O HOH A 514 3262 3727 2373 816 191 33 O HETATM 3919 O HOH A 515 32.886 32.080 7.328 1.00 34.62 O ANISOU 3919 O HOH A 515 4112 4697 4345 -485 271 -780 O HETATM 3920 O HOH A 516 29.434 77.594 16.835 1.00 26.42 O ANISOU 3920 O HOH A 516 3360 2779 3901 -539 275 -714 O HETATM 3921 O HOH A 517 47.658 60.673 6.476 1.00 29.04 O ANISOU 3921 O HOH A 517 4265 2853 3914 -251 372 180 O HETATM 3922 O HOH A 518 43.409 48.046 20.889 1.00 34.37 O ANISOU 3922 O HOH A 518 3870 4630 4560 214 -129 -233 O HETATM 3923 O HOH A 519 22.137 75.690 16.080 1.00 24.47 O ANISOU 3923 O HOH A 519 2569 2581 4146 -202 772 -696 O HETATM 3924 O HOH A 520 16.906 43.406 19.583 1.00 35.51 O ANISOU 3924 O HOH A 520 4695 4691 4104 5 1472 -168 O HETATM 3925 O HOH A 521 43.155 75.667 7.211 1.00 24.66 O ANISOU 3925 O HOH A 521 2275 3188 3905 -919 450 -303 O HETATM 3926 O HOH A 522 43.799 57.313 0.392 1.00 31.51 O ANISOU 3926 O HOH A 522 3603 3419 4951 247 1371 120 O HETATM 3927 O HOH A 523 20.956 62.949 23.998 1.00 46.01 O ANISOU 3927 O HOH A 523 5883 5767 5832 -190 -198 142 O HETATM 3928 O HOH A 524 41.047 35.432 13.071 1.00 32.38 O ANISOU 3928 O HOH A 524 4784 3611 3907 -190 499 387 O HETATM 3929 O HOH A 525 27.631 69.773 -1.677 1.00 30.92 O ANISOU 3929 O HOH A 525 4174 3533 4041 689 701 762 O HETATM 3930 O HOH A 526 20.568 77.090 13.842 1.00 35.72 O ANISOU 3930 O HOH A 526 4796 3983 4792 361 -85 -343 O HETATM 3931 O HOH A 527 48.810 55.803 11.634 1.00 24.85 O ANISOU 3931 O HOH A 527 2944 2854 3646 -73 -462 -707 O HETATM 3932 O HOH A 528 33.107 47.450 -3.189 1.00 27.18 O ANISOU 3932 O HOH A 528 4108 3028 3190 -178 1730 -143 O HETATM 3933 O HOH A 529 35.079 47.035 21.560 1.00 25.22 O ANISOU 3933 O HOH A 529 2544 3578 3461 107 -235 -510 O HETATM 3934 O HOH A 530 43.049 45.840 19.390 1.00 25.71 O ANISOU 3934 O HOH A 530 3155 4190 2423 -238 -415 415 O HETATM 3935 O HOH A 531 40.547 78.624 13.257 1.00 32.33 O ANISOU 3935 O HOH A 531 3192 4700 4391 354 -7 -165 O HETATM 3936 O HOH A 532 44.599 69.169 23.883 1.00 40.13 O ANISOU 3936 O HOH A 532 4712 5513 5023 -56 293 -766 O HETATM 3937 O HOH A 533 40.921 66.295 27.997 1.00 26.55 O ANISOU 3937 O HOH A 533 4045 3669 2375 -1299 304 1011 O HETATM 3938 O HOH A 534 26.593 55.388 -11.576 1.00 26.02 O ANISOU 3938 O HOH A 534 2919 4162 2806 50 -305 -425 O HETATM 3939 O HOH A 535 11.533 59.079 21.156 1.00 48.35 O ANISOU 3939 O HOH A 535 6297 5984 6089 -162 -395 -388 O HETATM 3940 O HOH A 536 40.041 65.872 -3.508 1.00 29.68 O ANISOU 3940 O HOH A 536 4548 2749 3981 -635 958 -139 O HETATM 3941 O HOH A 537 27.486 60.924 -6.973 1.00 24.34 O ANISOU 3941 O HOH A 537 3055 2973 3219 493 472 867 O HETATM 3942 O HOH A 538 29.411 49.899 -5.453 1.00 27.44 O ANISOU 3942 O HOH A 538 4142 3344 2940 -390 -791 -133 O HETATM 3943 O HOH A 539 34.526 79.049 17.443 1.00 47.41 O ANISOU 3943 O HOH A 539 5999 5500 6516 164 -514 133 O HETATM 3944 O HOH A 540 41.709 72.438 1.488 1.00 25.50 O ANISOU 3944 O HOH A 540 2968 3629 3092 -449 467 566 O HETATM 3945 O HOH A 541 50.603 47.643 10.168 0.50 21.74 O ANISOU 3945 O HOH A 541 2181 2620 3458 -176 272 342 O HETATM 3946 O HOH A 542 23.584 37.638 9.324 0.50 19.79 O ANISOU 3946 O HOH A 542 2206 3155 2159 -365 3 -229 O HETATM 3947 O HOH A 543 38.305 34.448 17.316 1.00 31.89 O ANISOU 3947 O HOH A 543 4136 4163 3818 239 -355 974 O HETATM 3948 O HOH A 544 35.394 75.340 1.667 1.00 28.94 O ANISOU 3948 O HOH A 544 3716 3992 3288 -550 254 -117 O HETATM 3949 O HOH A 545 36.312 52.787 26.872 1.00 34.67 O ANISOU 3949 O HOH A 545 4147 4613 4412 -119 371 -431 O HETATM 3950 O HOH A 546 34.019 81.501 7.698 1.00 26.33 O ANISOU 3950 O HOH A 546 3032 3536 3436 -477 -39 -677 O HETATM 3951 O HOH A 547 18.078 45.655 2.565 1.00 23.53 O ANISOU 3951 O HOH A 547 4099 2530 2311 -251 -925 -346 O HETATM 3952 O HOH A 548 37.112 82.033 7.368 1.00 28.75 O ANISOU 3952 O HOH A 548 3679 3431 3815 -15 204 536 O HETATM 3953 O HOH A 549 35.036 33.939 -3.581 1.00 10.51 O ANISOU 3953 O HOH A 549 830 1980 1184 -129 -117 143 O HETATM 3954 O HOH A 550 37.836 70.608 0.747 1.00 33.34 O ANISOU 3954 O HOH A 550 4003 4807 3858 45 966 338 O HETATM 3955 O HOH A 551 12.354 47.576 6.773 1.00 20.98 O ANISOU 3955 O HOH A 551 1990 3006 2976 -909 15 -131 O HETATM 3956 O HOH A 552 44.308 62.643 1.077 1.00 36.08 O ANISOU 3956 O HOH A 552 4236 4540 4933 -290 551 -13 O HETATM 3957 O HOH A 553 30.219 31.706 6.115 1.00 28.98 O ANISOU 3957 O HOH A 553 3997 2981 4032 370 -531 18 O HETATM 3958 O HOH A 554 31.954 68.512 27.395 1.00 41.06 O ANISOU 3958 O HOH A 554 4725 5944 4931 -955 -606 -28 O HETATM 3959 O HOH A 555 37.616 47.075 -3.543 1.00 33.65 O ANISOU 3959 O HOH A 555 4932 4149 3703 532 275 -26 O HETATM 3960 O HOH A 556 22.256 56.916 20.397 1.00 33.97 O ANISOU 3960 O HOH A 556 4625 4950 3331 684 203 501 O HETATM 3961 O HOH A 557 40.696 68.723 1.893 0.50 26.97 O ANISOU 3961 O HOH A 557 3326 3562 3358 564 187 244 O HETATM 3962 O HOH A 558 37.622 81.678 10.789 1.00 34.72 O ANISOU 3962 O HOH A 558 4628 4920 3645 -677 -600 561 O HETATM 3963 O HOH A 559 12.035 49.725 12.094 1.00 52.23 O ANISOU 3963 O HOH A 559 7005 6216 6626 132 16 -233 O HETATM 3964 O HOH A 560 42.044 52.402 29.792 1.00 43.27 O ANISOU 3964 O HOH A 560 5586 6091 4764 -70 5 44 O HETATM 3965 O HOH A 561 34.475 57.061 23.001 1.00 33.13 O ANISOU 3965 O HOH A 561 3614 4655 4320 -105 86 -307 O HETATM 3966 O HOH A 562 30.706 71.239 21.967 1.00 27.06 O ANISOU 3966 O HOH A 562 3258 3708 3317 -601 -406 1174 O HETATM 3967 O HOH A 563 30.601 71.224 33.530 1.00 34.34 O ANISOU 3967 O HOH A 563 3772 4858 4416 -775 -357 -125 O HETATM 3968 O HOH A 564 26.072 35.883 1.868 1.00 25.48 O ANISOU 3968 O HOH A 564 3714 3644 2321 78 -1296 -246 O HETATM 3969 O HOH A 565 33.484 61.529 -6.397 0.50 19.80 O ANISOU 3969 O HOH A 565 1997 3270 2257 -284 141 -6 O HETATM 3970 O HOH A 566 32.689 64.464 24.638 1.00 22.05 O ANISOU 3970 O HOH A 566 1948 3543 2887 -185 57 -817 O HETATM 3971 O HOH A 567 20.437 52.968 -7.502 0.50 7.71 O ANISOU 3971 O HOH A 567 419 882 1626 122 -231 213 O HETATM 3972 O HOH A 568 35.079 47.224 -10.038 0.50 19.40 O ANISOU 3972 O HOH A 568 2969 2249 2152 880 389 -100 O HETATM 3973 O HOH A 569 35.162 33.547 2.186 1.00 30.78 O ANISOU 3973 O HOH A 569 5756 3313 2627 -600 -255 32 O HETATM 3974 O HOH A 570 22.924 78.128 13.059 1.00 34.13 O ANISOU 3974 O HOH A 570 3867 3914 5187 212 -545 -58 O HETATM 3975 O HOH A 571 34.852 65.664 -6.374 1.00 37.22 O ANISOU 3975 O HOH A 571 4923 4878 4342 200 1478 1084 O HETATM 3976 O HOH A 572 26.285 60.791 -8.925 1.00 40.85 O ANISOU 3976 O HOH A 572 5551 4860 5110 -127 -475 496 O HETATM 3977 O HOH A 573 26.704 47.830 8.464 1.00 11.73 O ANISOU 3977 O HOH A 573 1350 1982 1124 -127 -89 -239 O HETATM 3978 O HOH A 574 34.386 43.435 -2.025 1.00 15.60 O ANISOU 3978 O HOH A 574 2433 2186 1309 326 278 2 O HETATM 3979 O HOH A 575 16.312 71.822 2.614 1.00 35.41 O ANISOU 3979 O HOH A 575 4619 4504 4332 279 464 -633 O HETATM 3980 O HOH A 576 30.890 45.445 -2.681 1.00 9.84 O ANISOU 3980 O HOH A 576 928 2109 701 112 -66 -89 O HETATM 3981 O HOH A 577 33.388 45.760 -0.775 1.00 11.90 O ANISOU 3981 O HOH A 577 1035 2036 1452 -188 235 -359 O HETATM 3982 O HOH A 578 13.033 70.348 14.403 1.00 27.20 O ANISOU 3982 O HOH A 578 3054 3371 3910 90 85 -533 O HETATM 3983 O HOH A 579 38.449 75.040 15.486 1.00 25.44 O ANISOU 3983 O HOH A 579 2498 3419 3749 -440 302 -679 O HETATM 3984 O HOH A 580 23.904 57.693 21.791 1.00 44.88 O ANISOU 3984 O HOH A 580 5286 6097 5670 -770 761 114 O HETATM 3985 O HOH A 581 39.570 58.557 28.253 1.00 32.18 O ANISOU 3985 O HOH A 581 4694 4351 3180 -319 41 -939 O HETATM 3986 O HOH A 582 32.812 45.660 -4.583 1.00 32.31 O ANISOU 3986 O HOH A 582 4375 4020 3882 533 26 63 O HETATM 3987 O HOH A 583 40.104 39.824 6.790 1.00 22.45 O ANISOU 3987 O HOH A 583 2911 2508 3109 -601 27 283 O HETATM 3988 O HOH A 584 10.112 59.017 19.152 1.00 33.78 O ANISOU 3988 O HOH A 584 3981 4526 4328 -261 394 585 O HETATM 3989 O HOH A 585 11.988 56.506 17.030 1.00 28.13 O ANISOU 3989 O HOH A 585 3036 3604 4047 -381 289 -519 O HETATM 3990 O HOH A 586 29.796 46.691 -6.301 1.00 27.20 O ANISOU 3990 O HOH A 586 1830 5007 3496 -317 577 333 O HETATM 3991 O HOH A 587 41.928 50.188 26.058 1.00 38.29 O ANISOU 3991 O HOH A 587 5294 4446 4810 -659 710 1115 O HETATM 3992 O HOH A 588 29.202 78.851 2.791 1.00 27.70 O ANISOU 3992 O HOH A 588 3204 3906 3413 148 -67 353 O HETATM 3993 O HOH A 589 23.925 48.850 3.697 1.00 9.38 O ANISOU 3993 O HOH A 589 813 1884 866 230 62 85 O HETATM 3994 O HOH A 590 34.266 59.370 13.208 1.00 10.84 O ANISOU 3994 O HOH A 590 782 2409 928 -215 256 430 O HETATM 3995 O HOH A 591 21.165 60.243 18.368 1.00 15.37 O ANISOU 3995 O HOH A 591 1371 2193 2276 -294 42 -930 O HETATM 3996 O HOH A 592 36.660 72.944 20.804 1.00 21.66 O ANISOU 3996 O HOH A 592 2526 3076 2627 -562 212 -794 O HETATM 3997 O HOH A 593 47.005 70.822 23.308 1.00 57.59 O ANISOU 3997 O HOH A 593 7350 7541 6989 -160 -133 -274 O HETATM 3998 O HOH A 594 27.426 43.859 -5.219 1.00 11.27 O ANISOU 3998 O HOH A 594 1373 1829 1082 -232 -404 -255 O HETATM 3999 O HOH A 595 49.150 61.782 18.512 1.00 16.68 O ANISOU 3999 O HOH A 595 1140 3012 2186 -286 -125 -612 O HETATM 4000 O HOH A 596 18.136 59.401 -6.327 1.00 18.74 O ANISOU 4000 O HOH A 596 2577 2943 1602 437 -477 486 O HETATM 4001 O HOH A 597 47.735 63.947 20.286 1.00 30.51 O ANISOU 4001 O HOH A 597 2607 5291 3694 -889 -927 255 O HETATM 4002 O HOH A 598 21.992 48.113 -1.611 1.00 18.05 O ANISOU 4002 O HOH A 598 2048 1991 2817 -224 455 -298 O HETATM 4003 O HOH A 599 26.330 33.259 6.883 1.00 22.06 O ANISOU 4003 O HOH A 599 2533 2996 2852 -695 494 459 O HETATM 4004 O HOH A 600 39.408 79.680 5.747 1.00 30.48 O ANISOU 4004 O HOH A 600 3966 3232 4381 -1137 1382 -150 O HETATM 4005 O HOH A 601 34.552 73.202 23.658 1.00 47.24 O ANISOU 4005 O HOH A 601 6287 5913 5747 247 45 241 O HETATM 4006 O HOH A 602 30.873 42.002 -2.995 1.00 19.25 O ANISOU 4006 O HOH A 602 1569 4058 1686 43 311 -904 O HETATM 4007 O HOH A 603 27.566 72.183 -1.125 1.00 36.14 O ANISOU 4007 O HOH A 603 5064 4474 4193 -524 -349 -469 O HETATM 4008 O HOH A 604 37.044 45.800 -1.011 1.00 38.54 O ANISOU 4008 O HOH A 604 5783 4277 4583 -466 -887 -440 O HETATM 4009 O HOH A 605 33.259 60.473 23.431 1.00 23.10 O ANISOU 4009 O HOH A 605 1914 4326 2537 -38 514 127 O HETATM 4010 O HOH A 606 15.205 59.056 -6.284 1.00 35.05 O ANISOU 4010 O HOH A 606 4758 4528 4032 92 -976 -153 O HETATM 4011 O HOH A 607 46.771 56.355 19.091 1.00 25.02 O ANISOU 4011 O HOH A 607 2295 4267 2944 -537 -962 -2 O HETATM 4012 O HOH A 608 15.401 48.107 12.344 1.00 30.00 O ANISOU 4012 O HOH A 608 2915 4937 3546 237 -54 -71 O HETATM 4013 O HOH A 609 9.387 61.054 9.535 0.50 18.66 O ANISOU 4013 O HOH A 609 2131 2417 2541 -105 422 -358 O HETATM 4014 O HOH A 610 9.986 59.234 16.290 1.00 29.07 O ANISOU 4014 O HOH A 610 3644 3968 3434 -855 -910 -846 O HETATM 4015 O HOH A 611 34.881 51.869 24.846 1.00 32.30 O ANISOU 4015 O HOH A 611 4170 5264 2837 -447 579 506 O HETATM 4016 O HOH A 612 43.483 77.871 5.832 1.00 30.89 O ANISOU 4016 O HOH A 612 3030 4541 4167 -970 -36 600 O HETATM 4017 O HOH A 613 25.209 69.130 37.987 1.00 24.30 O ANISOU 4017 O HOH A 613 3235 3964 2034 -395 121 399 O HETATM 4018 O HOH A 614 13.280 55.515 9.606 1.00 33.88 O ANISOU 4018 O HOH A 614 3367 5040 4466 67 114 -65 O HETATM 4019 O HOH A 615 17.871 62.830 21.990 0.50 19.30 O ANISOU 4019 O HOH A 615 2456 2159 2718 -1182 -102 -28 O HETATM 4020 O HOH A 616 14.541 70.996 20.070 1.00 33.32 O ANISOU 4020 O HOH A 616 3913 4249 4500 220 534 246 O HETATM 4021 O HOH A 617 35.325 68.008 -3.169 1.00 34.83 O ANISOU 4021 O HOH A 617 4593 3944 4698 -603 232 -61 O HETATM 4022 O HOH A 618 37.597 79.448 10.240 1.00 37.54 O ANISOU 4022 O HOH A 618 4416 5184 4664 -56 -1020 1053 O HETATM 4023 O HOH A 619 36.411 74.151 25.275 1.00 44.48 O ANISOU 4023 O HOH A 619 5564 5932 5404 386 -75 754 O HETATM 4024 O HOH A 620 49.869 48.900 6.981 1.00 27.71 O ANISOU 4024 O HOH A 620 2514 3914 4100 59 -61 694 O HETATM 4025 O HOH A 621 47.685 54.110 22.472 1.00 44.93 O ANISOU 4025 O HOH A 621 5531 5893 5648 310 -399 367 O HETATM 4026 O HOH A 622 15.122 45.557 12.260 1.00 25.22 O ANISOU 4026 O HOH A 622 2210 4125 3247 78 1031 326 O HETATM 4027 O HOH A 623 19.474 65.853 -2.589 1.00 26.68 O ANISOU 4027 O HOH A 623 3957 2819 3361 982 398 733 O HETATM 4028 O HOH A 624 22.395 59.522 21.363 1.00 41.95 O ANISOU 4028 O HOH A 624 5879 5506 4556 -504 808 14 O HETATM 4029 O HOH A 625 33.361 57.159 -10.784 1.00 34.71 O ANISOU 4029 O HOH A 625 4097 4911 4181 397 1163 162 O HETATM 4030 O HOH A 626 38.444 72.378 28.462 1.00 45.65 O ANISOU 4030 O HOH A 626 5902 5853 5589 -1083 -285 -490 O HETATM 4031 O HOH A 627 10.574 67.624 7.712 1.00 26.84 O ANISOU 4031 O HOH A 627 3111 3921 3165 103 119 -741 O HETATM 4032 O HOH A 628 32.509 79.495 14.601 1.00 47.61 O ANISOU 4032 O HOH A 628 6588 5675 5827 188 -195 -426 O HETATM 4033 O HOH A 629 49.411 47.474 13.013 1.00 28.60 O ANISOU 4033 O HOH A 629 2416 4347 4105 -36 305 172 O HETATM 4034 O HOH A 630 8.567 53.239 5.860 1.00 26.06 O ANISOU 4034 O HOH A 630 2286 3796 3821 -449 -221 1198 O HETATM 4035 O HOH A 631 40.674 74.307 27.512 1.00 26.69 O ANISOU 4035 O HOH A 631 2789 4209 3145 436 -359 1148 O HETATM 4036 O HOH A 632 10.894 45.746 4.793 1.00 27.31 O ANISOU 4036 O HOH A 632 3545 2840 3991 -795 -1610 117 O HETATM 4037 O HOH A 633 8.855 64.208 6.144 1.00 33.62 O ANISOU 4037 O HOH A 633 3292 5275 4209 -1107 -846 -210 O HETATM 4038 O HOH A 634 43.581 46.372 11.470 1.00 12.49 O ANISOU 4038 O HOH A 634 1308 2369 1069 270 -47 -128 O HETATM 4039 O HOH A 635 19.644 69.514 -0.228 1.00 20.99 O ANISOU 4039 O HOH A 635 2344 2544 3089 78 -69 685 O HETATM 4040 O HOH A 636 50.873 56.674 15.093 1.00 37.19 O ANISOU 4040 O HOH A 636 4243 5202 4684 291 539 -111 O HETATM 4041 O HOH A 637 49.412 40.678 14.983 1.00 26.54 O ANISOU 4041 O HOH A 637 2990 3625 3469 626 -424 690 O HETATM 4042 O HOH A 638 49.001 55.478 17.093 1.00 33.02 O ANISOU 4042 O HOH A 638 3865 4726 3956 -891 -188 701 O HETATM 4043 O HOH A 639 32.246 51.361 25.136 1.00 39.37 O ANISOU 4043 O HOH A 639 4611 5394 4955 -132 405 -466 O HETATM 4044 O HOH A 640 19.473 71.616 1.569 1.00 29.06 O ANISOU 4044 O HOH A 640 3796 2920 4324 -61 -625 507 O HETATM 4045 O HOH A 641 41.578 72.756 3.890 1.00 28.29 O ANISOU 4045 O HOH A 641 3626 3383 3741 -314 877 303 O HETATM 4046 O HOH A 642 38.557 48.203 29.064 1.00 47.25 O ANISOU 4046 O HOH A 642 6058 6138 5756 194 -283 21 O HETATM 4047 O HOH A 643 45.381 63.072 5.045 1.00 32.94 O ANISOU 4047 O HOH A 643 4146 3921 4450 -771 811 1136 O HETATM 4048 O HOH A 644 11.785 59.121 -3.581 1.00 47.15 O ANISOU 4048 O HOH A 644 5556 6238 6120 504 60 340 O HETATM 4049 O HOH A 645 43.352 77.647 9.966 1.00 42.43 O ANISOU 4049 O HOH A 645 5037 5677 5405 -410 -696 -100 O HETATM 4050 O HOH A 646 31.770 32.515 -2.735 1.00 32.04 O ANISOU 4050 O HOH A 646 3815 3911 4448 208 -574 -478 O HETATM 4051 O HOH A 647 38.359 36.161 20.704 1.00 42.55 O ANISOU 4051 O HOH A 647 5114 5342 5713 599 5 -555 O HETATM 4052 O HOH A 648 45.121 71.818 6.746 1.00 26.90 O ANISOU 4052 O HOH A 648 2994 3962 3267 -885 167 -163 O HETATM 4053 O HOH A 649 15.879 67.625 -4.047 1.00 31.91 O ANISOU 4053 O HOH A 649 4620 3645 3861 591 -1588 901 O HETATM 4054 O HOH A 650 12.329 59.078 -0.216 1.00 37.03 O ANISOU 4054 O HOH A 650 4500 4458 5110 848 -419 -39 O HETATM 4055 O HOH A 651 36.493 32.044 12.614 1.00 32.42 O ANISOU 4055 O HOH A 651 4138 3785 4397 -68 608 -21 O HETATM 4056 O HOH A 652 45.624 48.803 20.546 1.00 41.94 O ANISOU 4056 O HOH A 652 5191 5809 4934 -188 270 731 O HETATM 4057 O HOH A 653 39.577 77.005 24.769 1.00 31.44 O ANISOU 4057 O HOH A 653 4682 3910 3354 538 65 2299 O HETATM 4058 O HOH A 654 34.395 32.020 4.170 1.00 25.85 O ANISOU 4058 O HOH A 654 3302 3383 3135 -120 677 -734 O HETATM 4059 O HOH A 655 49.391 54.071 2.459 1.00 27.58 O ANISOU 4059 O HOH A 655 3253 2859 4368 -50 182 1092 O HETATM 4060 O HOH A 656 27.676 78.291 11.024 1.00 28.71 O ANISOU 4060 O HOH A 656 3803 2677 4428 156 589 -529 O HETATM 4061 O HOH A 657 24.224 70.999 28.553 1.00 35.26 O ANISOU 4061 O HOH A 657 4876 4512 4011 -286 127 -113 O HETATM 4062 O HOH A 658 28.191 72.550 22.964 1.00 28.52 O ANISOU 4062 O HOH A 658 4026 3242 3569 -301 -179 94 O HETATM 4063 O HOH A 659 13.694 49.881 9.494 1.00 32.88 O ANISOU 4063 O HOH A 659 3765 4710 4019 -184 85 1105 O HETATM 4064 O HOH A 660 22.222 55.433 -10.446 1.00 34.00 O ANISOU 4064 O HOH A 660 4346 5395 3176 339 7 442 O HETATM 4065 O HOH A 661 41.433 65.105 3.499 1.00 33.69 O ANISOU 4065 O HOH A 661 4605 3968 4229 -1034 854 764 O HETATM 4066 O HOH A 662 40.099 69.248 12.160 1.00 28.49 O ANISOU 4066 O HOH A 662 3088 3965 3773 -123 481 -720 O HETATM 4067 O HOH A 663 22.308 70.169 21.456 0.50 19.83 O ANISOU 4067 O HOH A 663 2456 3108 1969 375 -382 -582 O HETATM 4068 O HOH A 664 15.624 45.102 4.056 1.00 40.34 O ANISOU 4068 O HOH A 664 4598 5746 4984 -275 -926 -155 O HETATM 4069 O HOH A 665 49.939 52.221 13.621 1.00 23.26 O ANISOU 4069 O HOH A 665 2010 3378 3449 148 192 -485 O HETATM 4070 O HOH A 666 36.294 44.882 24.391 1.00 40.47 O ANISOU 4070 O HOH A 666 5038 4805 5534 1001 840 232 O HETATM 4071 O HOH A 667 35.654 42.058 22.399 1.00 52.26 O ANISOU 4071 O HOH A 667 6805 6701 6350 491 154 97 O HETATM 4072 O HOH A 668 43.210 55.590 -9.525 0.50 18.26 O ANISOU 4072 O HOH A 668 2339 2372 2226 256 1235 -78 O HETATM 4073 O HOH A 669 9.653 58.447 9.377 0.50 25.47 O ANISOU 4073 O HOH A 669 2991 3314 3372 419 736 -234 O HETATM 4074 O HOH A 670 22.133 66.568 -6.051 1.00 38.29 O ANISOU 4074 O HOH A 670 4836 4895 4817 617 -278 723 O HETATM 4075 O HOH A 671 24.030 65.228 32.987 0.50 24.80 O ANISOU 4075 O HOH A 671 3345 3096 2982 56 -250 226 O HETATM 4076 O HOH A 672 20.992 79.228 7.799 1.00 36.69 O ANISOU 4076 O HOH A 672 4848 4117 4975 359 841 897 O HETATM 4077 O HOH A 673 14.430 51.721 12.289 1.00 25.96 O ANISOU 4077 O HOH A 673 2985 3668 3211 -814 -353 43 O HETATM 4078 O HOH A 674 12.357 60.762 7.005 1.00 35.35 O ANISOU 4078 O HOH A 674 4314 4681 4434 -876 217 -658 O HETATM 4079 O HOH A 675 20.963 50.840 -5.498 1.00 68.99 O ANISOU 4079 O HOH A 675 8737 8755 8723 -35 340 -6 O HETATM 4080 O HOH A 676 32.978 74.739 20.073 1.00 37.58 O ANISOU 4080 O HOH A 676 5304 5053 3920 690 196 -583 O HETATM 4081 O HOH A 677 45.359 64.014 24.202 1.00 33.70 O ANISOU 4081 O HOH A 677 3056 5088 4661 -178 56 -383 O HETATM 4082 O HOH A 678 28.079 34.951 0.536 1.00 33.82 O ANISOU 4082 O HOH A 678 3541 5313 3996 592 -1134 575 O HETATM 4083 O HOH A 679 19.924 56.978 19.442 1.00 34.45 O ANISOU 4083 O HOH A 679 4493 4160 4436 679 -215 -199 O HETATM 4084 O HOH A 680 33.381 57.935 25.043 1.00 46.23 O ANISOU 4084 O HOH A 680 5965 6145 5456 70 275 439 O HETATM 4085 O HOH A 681 10.826 59.746 9.794 0.50 33.94 O ANISOU 4085 O HOH A 681 4384 4558 3952 32 430 34 O HETATM 4086 O HOH A 682 50.035 46.307 7.071 1.00 21.55 O ANISOU 4086 O HOH A 682 1772 3870 2545 -24 -390 -548 O HETATM 4087 O HOH A 683 45.650 60.912 21.221 1.00 55.66 O ANISOU 4087 O HOH A 683 6861 7317 6970 -62 33 535 O HETATM 4088 O HOH A 684 41.980 53.458 -9.534 0.50 21.00 O ANISOU 4088 O HOH A 684 2989 2482 2507 -90 639 323 O HETATM 4089 O HOH A 685 35.364 65.095 23.998 1.00 53.73 O ANISOU 4089 O HOH A 685 6452 6798 7166 687 -511 -371 O HETATM 4090 O HOH A 686 28.315 31.742 7.394 1.00 36.21 O ANISOU 4090 O HOH A 686 4970 4437 4350 455 -182 -215 O HETATM 4091 O HOH A 687 48.068 61.687 20.519 1.00 43.62 O ANISOU 4091 O HOH A 687 4998 6068 5507 -1091 -1785 260 O HETATM 4092 O HOH A 688 31.682 32.765 2.474 0.50 30.63 O ANISOU 4092 O HOH A 688 3237 4386 4015 36 120 -146 O HETATM 4093 O HOH A 689 38.657 72.894 2.379 0.50 40.14 O ANISOU 4093 O HOH A 689 5141 5135 4976 -533 -240 -126 O HETATM 4094 O HOH A 690 43.825 73.970 5.029 1.00 31.41 O ANISOU 4094 O HOH A 690 3864 4116 3954 374 676 -637 O HETATM 4095 O HOH A 691 38.010 77.711 1.125 1.00 43.28 O ANISOU 4095 O HOH A 691 5667 5247 5533 -114 -655 -364 O HETATM 4096 O HOH A 692 44.693 37.212 17.424 1.00 32.90 O ANISOU 4096 O HOH A 692 3556 4557 4388 155 299 857 O HETATM 4097 O HOH A 693 32.059 47.051 -6.236 1.00 29.18 O ANISOU 4097 O HOH A 693 3012 4588 3490 -925 690 -50 O HETATM 4098 O HOH A 694 45.005 57.937 23.714 1.00 32.70 O ANISOU 4098 O HOH A 694 4613 4088 3722 -1185 -732 -584 O HETATM 4099 O HOH A 695 36.776 56.444 26.789 1.00 46.24 O ANISOU 4099 O HOH A 695 5854 6202 5514 -81 -1 -146 O HETATM 4100 O HOH A 696 18.743 57.253 -10.560 0.50 36.16 O ANISOU 4100 O HOH A 696 4473 4913 4352 433 -342 573 O HETATM 4101 O HOH A 697 11.498 57.752 10.200 0.50 23.37 O ANISOU 4101 O HOH A 697 2556 3676 2648 -389 606 -634 O HETATM 4102 O HOH A 698 39.975 66.228 0.861 0.50 23.61 O ANISOU 4102 O HOH A 698 2844 2956 3170 -1004 158 -296 O HETATM 4103 O HOH A 699 35.934 61.167 -6.920 0.50 23.35 O ANISOU 4103 O HOH A 699 3108 3249 2513 178 24 447 O HETATM 4104 O HOH A 700 22.582 72.138 20.502 0.50 24.02 O ANISOU 4104 O HOH A 700 3308 3440 2379 494 304 -282 O HETATM 4105 O HOH A 701 11.068 63.693 21.956 1.00 36.29 O ANISOU 4105 O HOH A 701 3698 5427 4663 -263 -607 -574 O HETATM 4106 O HOH A 702 40.361 70.309 1.701 0.50 22.33 O ANISOU 4106 O HOH A 702 3093 2774 2618 -590 667 540 O HETATM 4107 O HOH A 703 45.887 77.661 5.217 1.00 51.90 O ANISOU 4107 O HOH A 703 6423 6787 6510 424 18 436 O HETATM 4108 O HOH A 704 26.149 72.136 26.210 1.00 34.40 O ANISOU 4108 O HOH A 704 3643 5240 4188 296 1066 -536 O HETATM 4109 O HOH A 705 7.841 66.229 8.540 1.00 40.72 O ANISOU 4109 O HOH A 705 5106 5148 5216 -156 8 89 O HETATM 4110 O HOH A 706 41.407 37.129 9.388 0.50 23.75 O ANISOU 4110 O HOH A 706 2579 3304 3142 -109 152 -348 O HETATM 4111 O HOH A 707 34.580 59.574 -7.155 0.50 21.94 O ANISOU 4111 O HOH A 707 2800 2693 2842 70 386 -111 O HETATM 4112 O HOH A 708 36.237 82.512 15.496 1.00 45.96 O ANISOU 4112 O HOH A 708 6229 5239 5995 433 -355 451 O HETATM 4113 O HOH A 709 39.016 68.014 -2.089 1.00 40.06 O ANISOU 4113 O HOH A 709 5248 5176 4796 -882 477 -365 O HETATM 4114 O HOH A 710 19.769 65.387 -7.323 1.00 44.92 O ANISOU 4114 O HOH A 710 6027 5463 5576 68 -657 -326 O HETATM 4115 O HOH A 711 29.937 53.656 -11.115 1.00 34.44 O ANISOU 4115 O HOH A 711 4483 4562 4041 1110 1134 30 O HETATM 4116 O HOH A 712 32.197 72.586 20.660 1.00 32.48 O ANISOU 4116 O HOH A 712 4294 3884 4161 -612 74 -719 O HETATM 4117 O HOH A 713 42.657 52.000 -8.374 0.50 21.59 O ANISOU 4117 O HOH A 713 2385 2976 2843 124 494 -458 O HETATM 4118 O HOH A 714 13.797 63.456 -3.377 1.00 38.92 O ANISOU 4118 O HOH A 714 5063 5219 4508 90 -355 -511 O HETATM 4119 O HOH A 715 21.192 52.116 17.500 1.00 52.13 O ANISOU 4119 O HOH A 715 6521 6771 6516 112 695 599 O HETATM 4120 O HOH A 716 44.096 77.380 2.330 1.00 48.31 O ANISOU 4120 O HOH A 716 6034 6553 5767 24 574 432 O HETATM 4121 O HOH A 717 27.159 52.663 8.862 1.00 37.28 O ANISOU 4121 O HOH A 717 4747 5160 4258 54 306 -127 O HETATM 4122 O HOH A 718 31.850 65.232 27.043 1.00 34.95 O ANISOU 4122 O HOH A 718 4207 4914 4159 -108 -257 -273 O HETATM 4123 O HOH A 719 31.868 55.855 -14.909 1.00 58.38 O ANISOU 4123 O HOH A 719 7586 7195 7401 -317 22 394 O HETATM 4124 O HOH A 720 19.244 74.342 7.317 1.00 41.47 O ANISOU 4124 O HOH A 720 5338 5403 5016 -128 172 -35 O HETATM 4125 O HOH A 721 33.880 69.731 -0.813 1.00 45.34 O ANISOU 4125 O HOH A 721 5567 5787 5873 74 -359 467 O HETATM 4126 O HOH A 722 10.071 55.596 12.185 1.00 33.28 O ANISOU 4126 O HOH A 722 3736 4248 4662 93 -858 -66 O HETATM 4127 O HOH A 723 11.571 48.444 10.090 0.50 23.60 O ANISOU 4127 O HOH A 723 2350 3081 3535 -393 -3 198 O HETATM 4128 O HOH A 724 46.843 57.425 3.453 1.00 38.06 O ANISOU 4128 O HOH A 724 4965 5391 4104 -367 1233 680 O HETATM 4129 O HOH A 725 51.465 50.713 6.486 0.50 26.70 O ANISOU 4129 O HOH A 725 2616 3727 3801 -460 481 -62 O HETATM 4130 O HOH A 726 16.356 70.800 16.884 1.00 39.28 O ANISOU 4130 O HOH A 726 5085 4725 5113 -121 190 -962 O HETATM 4131 O HOH A 727 48.158 51.878 19.186 1.00 40.93 O ANISOU 4131 O HOH A 727 4826 5538 5189 36 -724 -469 O HETATM 4132 O HOH A 728 37.888 53.157 -11.664 1.00 37.31 O ANISOU 4132 O HOH A 728 4767 5236 4172 -148 204 334 O HETATM 4133 O HOH A 729 25.132 73.617 22.229 1.00 56.40 O ANISOU 4133 O HOH A 729 6816 7130 7485 -353 125 -297 O HETATM 4134 O HOH A 730 12.895 67.313 0.115 1.00 62.42 O ANISOU 4134 O HOH A 730 8086 7665 7967 -411 -287 -90 O HETATM 4135 O HOH A 731 13.804 65.204 0.122 1.00 44.96 O ANISOU 4135 O HOH A 731 5703 5843 5534 382 -157 152 O HETATM 4136 O HOH B 36 23.599 45.617 16.598 1.00 22.79 O ANISOU 4136 O HOH B 36 3954 3012 1694 -980 -469 -1 O HETATM 4137 O HOH B 39 32.642 43.500 19.649 1.00 21.78 O ANISOU 4137 O HOH B 39 1945 3040 3289 51 137 72 O HETATM 4138 O HOH B 73 22.840 42.681 27.225 1.00 25.99 O ANISOU 4138 O HOH B 73 4316 3423 2136 144 1582 910 O HETATM 4139 O HOH B 107 24.492 36.210 12.945 1.00 29.61 O ANISOU 4139 O HOH B 107 3546 5072 2633 -739 -390 359 O HETATM 4140 O HOH B 135 32.858 42.416 22.415 1.00 46.77 O ANISOU 4140 O HOH B 135 5562 6467 5741 527 -274 -22 O HETATM 4141 O HOH B 143 33.134 55.048 24.391 1.00 31.13 O ANISOU 4141 O HOH B 143 4210 4113 3503 659 -407 -363 O HETATM 4142 O HOH B 147 27.219 29.289 12.107 1.00 29.59 O ANISOU 4142 O HOH B 147 4074 3179 3990 -697 774 145 O HETATM 4143 O HOH B 155 25.707 56.878 22.979 1.00 38.54 O ANISOU 4143 O HOH B 155 5158 4324 5161 -620 245 675 O HETATM 4144 O HOH B 161 23.862 50.774 18.722 1.00 31.24 O ANISOU 4144 O HOH B 161 3018 4925 3927 -245 489 161 O HETATM 4145 O HOH B 193 26.245 43.663 12.524 1.00 15.93 O ANISOU 4145 O HOH B 193 1288 3380 1385 -18 310 503 O HETATM 4146 O HOH B 194 30.680 49.532 23.904 1.00 20.20 O ANISOU 4146 O HOH B 194 2618 3061 1997 -454 -506 455 O HETATM 4147 O HOH B 215 26.615 46.258 28.945 1.00 31.01 O ANISOU 4147 O HOH B 215 4516 4419 2849 -644 113 713 O HETATM 4148 O HOH B 230 19.686 43.230 23.078 1.00 40.47 O ANISOU 4148 O HOH B 230 4516 5270 5589 -358 -13 -587 O HETATM 4149 O HOH B 259 25.812 44.767 15.422 1.00 27.40 O ANISOU 4149 O HOH B 259 4005 3087 3320 -120 -604 880 O HETATM 4150 O HOH B 261 22.104 31.692 24.908 1.00 21.93 O ANISOU 4150 O HOH B 261 1259 3111 3963 159 -463 674 O HETATM 4151 O HOH B 274 32.989 45.705 21.000 1.00 37.23 O ANISOU 4151 O HOH B 274 4280 4910 4955 -367 -314 487 O HETATM 4152 O HOH B 278 20.505 44.683 21.449 1.00 45.31 O ANISOU 4152 O HOH B 278 6092 5361 5763 584 -632 72 O HETATM 4153 O HOH B 280 31.661 51.828 28.270 1.00 47.04 O ANISOU 4153 O HOH B 280 5557 6284 6031 628 532 310 O HETATM 4154 O HOH B 284 23.619 37.842 14.291 1.00 30.55 O ANISOU 4154 O HOH B 284 3538 4402 3668 -61 -493 978 O HETATM 4155 O HOH B 343 30.560 57.901 33.030 1.00 52.65 O ANISOU 4155 O HOH B 343 6680 6954 6370 549 -14 232 O CONECT 71 3808 CONECT 72 3808 CONECT 443 651 CONECT 651 443 CONECT 750 3807 CONECT 751 3807 CONECT 899 3805 CONECT 928 3805 CONECT 967 3805 CONECT 1001 3805 CONECT 1035 3805 CONECT 1739 3810 CONECT 1740 3810 CONECT 1836 3806 CONECT 1837 3806 CONECT 2246 3809 CONECT 2247 3809 CONECT 2284 2500 CONECT 2440 3809 CONECT 2462 3809 CONECT 2500 2284 CONECT 2630 2977 CONECT 2977 2630 CONECT 3134 3809 CONECT 3376 3584 CONECT 3523 3772 CONECT 3560 3692 CONECT 3584 3376 CONECT 3692 3560 CONECT 3772 3523 CONECT 3805 899 928 967 1001 CONECT 3805 1035 3996 CONECT 3806 1836 1837 3811 3812 CONECT 3807 750 751 3837 4031 CONECT 3807 4037 4109 CONECT 3808 71 72 3999 4001 CONECT 3808 4091 CONECT 3809 2246 2247 2440 2462 CONECT 3809 3134 3980 3981 CONECT 3810 1739 1740 4123 CONECT 3811 3806 CONECT 3812 3806 CONECT 3837 3807 CONECT 3980 3809 CONECT 3981 3809 CONECT 3996 3805 CONECT 3999 3808 CONECT 4001 3808 CONECT 4031 3807 CONECT 4037 3807 CONECT 4091 3808 CONECT 4109 3807 CONECT 4123 3810 END