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HEADER STRUCTURAL PROTEIN 26-OCT-98 3AL1
TITLE DESIGNED PEPTIDE ALPHA-1, RACEMIC P1BAR FORM
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: D, L-ALPHA-1;
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: N TERMINI ARE ACETYLATED
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: PEPTIDE WAS SYNTHESIZED VIA SOLID PHASE
SOURCE 4 SYNTHESIS AND DESIGNED TO BE AN AMPHIPHILIC HELIX
KEYWDS HELICAL BILAYER, BIOMATERIAL, CENTRIC, RACEMIC, STRUCTURAL
KEYWDS 2 PROTEIN
EXPDTA X-RAY DIFFRACTION
AUTHOR W.R.PATTERSON,D.H.ANDERSON,W.F.DEGRADO,D.CASCIO,D.EISENBERG
REVDAT 2 22-DEC-99 3AL1 1 HEADER COMPND REMARK JRNL
REVDAT 2 2 1 ATOM SOURCE SEQRES
REVDAT 1 04-NOV-98 3AL1 0
JRNL AUTH W.R.PATTERSON,D.H.ANDERSON,W.F.DEGRADO,D.CASCIO,
JRNL AUTH 2 D.EISENBERG
JRNL TITL CENTROSYMMETRIC BILAYERS IN THE 0.75A RESOLUTION
JRNL TITL 2 STRUCTURE OF A DESIGNED ALPHA-HELICAL PEPTIDE, D,
JRNL TITL 3 L-ALPHA-1
JRNL REF PROTEIN SCI. V. 8 1410 1999
JRNL REFN ASTM PRCIEI US ISSN 0961-8368
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH G.G.PRIVE,D.H.ANDERSON,L.WESSON,D.CASCIO,
REMARK 1 AUTH 2 D.EISENBERG
REMARK 1 TITL PACKED PROTEIN BILAYERS IN THE 0.90A RESOLUTION
REMARK 1 TITL 2 STRUCTURE OF A DESIGNED ALPHA HELICAL BUNDLE
REMARK 1 REF TO BE PUBLISHED
REMARK 1 REFN
REMARK 1 REFERENCE 2
REMARK 1 AUTH C.P.HILL,D.H.ANDERSON,L.WESSON,W.F.DEGRADO,
REMARK 1 AUTH 2 D.EISENBERG
REMARK 1 TITL CRYSTAL STRUCTURE OF ALPHA-1: IMPLICATIONS FOR
REMARK 1 TITL 2 PROTEIN DESIGN
REMARK 1 REF SCIENCE V. 249 543 1990
REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075
REMARK 1 REFERENCE 3
REMARK 1 AUTH D.EISENBERG,W.WILCOX,S.M.ESHITA,P.M.PRYCIAK,S.P.HO
REMARK 1 TITL THE DESIGN, SYNTHESIS, AND CRYSTALLIZATION OF AN
REMARK 1 TITL 2 ALPHA-HELICAL PEPTIDE
REMARK 1 REF PROTEINS: STRUCT.,FUNCT., V. 1 16 1986
REMARK 1 REF 2 GENET.
REMARK 1 REFN ASTM PSFGEY US ISSN 0887-3585
REMARK 2
REMARK 2 RESOLUTION. 0.75 ANGSTROM.
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) : 0.75
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 18.0
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 71.6
REMARK 3 CROSS-VALIDATION METHOD : FREE R
REMARK 3 FREE R VALUE TEST SET SELECTION : EVERY TENTH
REMARK 3 REFLECTION
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF).
REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.131
REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.130
REMARK 3 FREE R VALUE (NO CUTOFF) : 0.145
REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 10.000
REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 3329
REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 33290
REMARK 3
REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F).
REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : 0.107
REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : 0.107
REMARK 3 FREE R VALUE (F>4SIG(F)) : 0.119
REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 8.100
REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : 2419
REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 24134
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 589
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 90
REMARK 3
REMARK 3 MODEL REFINEMENT.
REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 237.88
REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 250.04
REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 11
REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 2939
REMARK 3 NUMBER OF RESTRAINTS : 4291
REMARK 3
REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES.
REMARK 3 BOND LENGTHS (A) : 0.038
REMARK 3 ANGLE DISTANCES (A) : 0.000
REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.028
REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.017
REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.101
REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.000
REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.086
REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.007
REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.038
REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.040
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-2
REMARK 3
REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH AND HUBER
REMARK 3 SPECIAL CASE: GLU 108 CONFORMATION C CARBOXYLATE HAS A
REMARK 3 STIFF PLANARITY RESTRAINT. ETHANOLAMINE
REMARK 3 AND MPD RESTRAINTS WERE DERIVED BY ANALOGY
REMARK 3 TO OTHER SIMILAR GROUPS.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3AL1 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998
REMARK 7
REMARK 7 OTHER ASSORTED REMARKS: THERE IS NO REDUNDANCY IN THE DATA
REMARK 7 SET BEYOND 1.28A RESOLUTION; RSYM CAN BE EVALUATED ONLY FOR
REMARK 7 18-1.28A. DATA REDUNDANCY IN 18-1.28A SHELL IS 2.51
REMARK 8
REMARK 8 STRUCTURE WAS REDETERMINED WITH SHAKE AND BAKE BECAUSE THE
REMARK 8 REFINEMENT WAS STUCK AT R ABOUT 21%. THE SNB RESULT
REMARK 8 CONFIRMED THE SHELXS STRUCTURE.
REMARK 9
REMARK 9 SAME TEST SET WAS USED FOR SHELXL-93 AND -97. SAME
REMARK 9 RESTRAINTS WERE CARRIED ALONG INTO SHELXL-97; THERE WAS NO
REMARK 9 DFIX/DANG DISTINCTION.
REMARK 10
REMARK 10 INTRODUCTION OF ANISOTROPIC REFINEMENT REDUCED FREE R
REMARK 10 (NO CUTOFF) BY ONLY 1%. IN THIS REFINEMENT, THE ALTERNATE
REMARK 10 CONFORMATIONS EVENTUALLY REDUCED FREE R FROM 22.6 - 14.5%
REMARK 11
REMARK 11 IN THE ABOVE TABLE OF NUMBERS OF NON-HYDROGEN ATOMS, AND
REMARK 11 CONTINUING HERE, PEPTIDE, HETEROGEN AND SOLVENT ATOMS ARE
REMARK 11 COUNTED ONCE, DESPITE THE DISCRETE DISORDER. NUMBER OF
REMARK 11 DISCRETELY DISORDERED HETEROGENS: 3 NUMBER OF
REMARK 11 DISCRETELY DISORDERED WATERS : 12 THE 11 DISORDERED SIDE
REMARK 11 CHAINS ARE: TWO CONFORMATIONS EACH: GLU A 101, LYS A 104,
REMARK 11 LYS A 105, GLU B 201, LEU B 203, LYS B 204, GLU B
REMARK 11 208, LEU B 210, LYS B 211. THREE CONFORMATIONS EACH: GLU A
REMARK 11 108, LYS B 205. THE SOLVENT DISORDER IS DESCRIBED UNDER
REMARK 11 REMARK 525. THE MODEL INCLUDES MOST BUT NOT ALL THE
REMARK 11 DISCRETE DISORDER. THE "BAD" GEOMETRY AT LYS A 104 RESULTS
REMARK 11 FROM UNMODELED BACKBONE DISORDER. LYS A 105 HAS ONLY TWO
REMARK 11 CONFORMATIONS, BUT THE DENSITY INDICATES ABOUT FOUR. ITS
REMARK 11 GEOMETRY SUFFERS FROM UNEXPLAINED DENSITY.
REMARK 12
REMARK 12 THE ABOVE SOLVENT CONTENT IS TOTAL NON-PEPTIDE NON-HYDROGEN
REMARK 12 ATOMS / TOTAL NON-HYDROGEN ATOMS IN MODEL. THE CELL IS
REMARK 12 COMPLETELY PACKED BY MODEL ATOMS. THE SOLVENT CONTENT
REMARK 12 CALCULATED BY CCP4'S MATTHEWS_COEF IS 23.06%. THE
REMARK 12 OCCUPANCIES OF SOLVENT SPECIES ARE CORRELATED AS FOLLOWS:
REMARK 12 HOH 306 OCCUPANCY=0.7, UNCOUPLED TO OTHER PARAMETERS HOH
REMARK 12 309 SITES A,B OCCUP. = LYS B 211
REMARK 12 SITES A,B OCCUP. HOH 310 SITES A,C OCCUP. = GLU A 108
REMARK 12 SITES A,C OCCUP. HOH 312 SITES A,B OCCUP. = GLU B 201
REMARK 12 SITES A,B OCCUP. HOH 313 SITES A,B OCCUP. = LYS A 105
REMARK 12 SITES A,B OCCUP. HOH 316 SITES A,B OCCUP. = GLU B 208
REMARK 12 SITES A,B OCCUP. HOH 318 SITE A FITS BETWEEN GLU B 201
REMARK 12 SITE A AND LYS B 205 SITE C, BUT OCCUPANCIES ARE NOT SET
REMARK 12 EQUAL. HOH 322 SITE B OCCUP. = LYS A 105 SITE B OCCUP. HOH
REMARK 12 323 SITE B OCCUP. = GLU A 108 SITE B OCCUP. HOH 324
REMARK 12 SITE A AND HOH 325 SITE A ARE PRESENT TOGETHER; HOH 324
REMARK 12 SITE B AND HOH 325 SITE B ARE PRESENT TOGETHER; CENTRAL
REMARK 12 HOH 324 AND 325 POSITIONS ARE MUTUALLY EXCLUSIVE. HOH
REMARK 12 327 SITES A,B,C: CENTRAL POSITION EXCLUDES THE OTHER TWO,
REMARK 12 THEREFORE THE TOTAL OCCUPANCY FOR HOH 327 A,B,C IS
REMARK 12 1.5 MPD 400: SITE A CONTAINS 4-S ISOMER; OVERLAPPING
REMARK 12 SITE B CONTAINS 4-R ISOMER; TOTAL OCCUP.=1.0 ETA 501
REMARK 12 (ETHANOLAMINE) SITES A AND B TOTAL OCCUP.=1.0; UNCOUPLED TO
REMARK 12 OTHER PARAMETERS. ETA 506 SITES A,B AND HOH 329 SITE C ALL
REMARK 12 OVERLAP; TOTAL OCCUPANCY FOR ETA 506 A,B AND HOH
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-SEP-1999.
REMARK 100 THE RCSB ID CODE IS RCSB008049.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 01-JUN-1996
REMARK 200 TEMPERATURE (KELVIN) : 115.0
REMARK 200 PH : 8.00
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : NSLS
REMARK 200 BEAMLINE : X12C
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.9
REMARK 200 MONOCHROMATOR : SI
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 33573
REMARK 200 RESOLUTION RANGE HIGH (A) : 0.750
REMARK 200 RESOLUTION RANGE LOW (A) : 18.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 71.5
REMARK 200 DATA REDUNDANCY : 1.400
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.10000
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 10.6000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 0.75
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 0.78
REMARK 200 COMPLETENESS FOR SHELL (%) : 24.9
REMARK 200 DATA REDUNDANCY IN SHELL : 1.00
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.000
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIRECT METHODS
REMARK 200 SOFTWARE USED: SHELXS
REMARK 200 STARTING MODEL: NONE (SHELXS)
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 14.8
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.61
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 285
REMARK 285 CRYST1
REMARK 285 TEXT TO EXPLAIN UNUSUAL UNIT-CELL DATA: SPACE GROUP IS
REMARK 285 CENTROSYMMETRIC P1BAR.
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P -1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT
REMARK 300 WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).
REMARK 350
REMARK 350 GENERATING THE BIOMOLECULE
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 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 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: ENGH AND HUBER, 1991
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 LYS A 105 CB - CG - CD ANGL. DEV. = 43.4 DEGREES
SEQRES 1 A 13 ACE GLU LEU LEU LYS LYS LEU LEU GLU GLU LEU LYS GLY
SEQRES 1 B 13 ACE GLU LEU LEU LYS LYS LEU LEU GLU GLU LEU LYS GLY
HET ACE A 100 6
HET ACE B 200 6
HET MPD 400 44
HET ETA 501 8
HET ETA 506 8
HETNAM ACE ACETYL GROUP
HETNAM MPD 2-METHYL-2,4-PENTANEDIOL
HETNAM ETA ETHANOLAMINE
FORMUL 1 ACE 2(C2 H3 O1)
FORMUL 3 HOH *21(H2 O1)
FORMUL 4 MPD C6 H14 O2
FORMUL 5 ETA 2(C2 H7 N1 O1)
HELIX 1 1 LEU A 102 LEU A 110 1 9
HELIX 2 2 LEU B 202 LEU B 210 1 9
LINK C ACE A 100 N GLU A 101
LINK C ACE B 200 N GLU B 201
CRYST1 20.544 20.859 26.055 101.16 97.03 118.06 P -1 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 0.048676 0.025947 0.014031 0.00000
SCALE2 0.000000 0.054327 0.016259 0.00000
SCALE3 0.000000 0.000000 0.040366 0.00000
HETATM 1 C ACE A 100 -3.325 -4.221 -7.090 1.00 4.77 C
ANISOU 1 C ACE A 100 753 462 597 44 -154 40 C
HETATM 2 O ACE A 100 -4.501 -4.405 -7.438 1.00 5.17 O
ANISOU 2 O ACE A 100 737 525 702 11 -229 -20 O
HETATM 3 CH3 ACE A 100 -2.187 -4.936 -7.721 1.00 5.68 C
ANISOU 3 CH3 ACE A 100 891 620 647 99 -67 -42 C
HETATM 4 1H ACE A 100 -1.349 -4.649 -7.303 1.00 8.52 H
ANISOU 4 1H ACE A 100 1079 1079 1079 0 0 0 H
HETATM 5 2H ACE A 100 -2.163 -4.731 -8.679 1.00 8.52 H
ANISOU 5 2H ACE A 100 1079 1079 1079 0 0 0 H
HETATM 6 3H ACE A 100 -2.300 -5.902 -7.597 1.00 8.52 H
ANISOU 6 3H ACE A 100 1079 1079 1079 0 0 0 H
ATOM 7 N GLU A 101 -3.013 -3.323 -6.155 1.00 4.53 N
ANISOU 7 N GLU A 101 597 509 617 5 -140 -11 N
ATOM 8 CA GLU A 101 -4.048 -2.545 -5.510 1.00 4.72 C
ANISOU 8 CA GLU A 101 617 561 617 -68 -74 -23 C
ATOM 9 C GLU A 101 -4.872 -1.750 -6.495 1.00 4.61 C
ANISOU 9 C GLU A 101 497 527 727 -47 -78 -70 C
ATOM 10 O GLU A 101 -6.053 -1.515 -6.243 1.00 5.51 O
ANISOU 10 O GLU A 101 574 735 785 -6 -59 -98 O
ATOM 11 CB AGLU A 101 -3.497 -1.606 -4.443 0.70 4.62 C
ANISOU 11 CB AGLU A 101 589 569 598 -73 -6 -48 C
ATOM 12 CB BGLU A 101 -3.319 -1.644 -4.476 0.30 6.73 C
ANISOU 12 CB BGLU A 101 941 789 826 -58 -264 -265 C
ATOM 13 CG AGLU A 101 -3.185 -2.282 -3.146 0.70 4.39 C
ANISOU 13 CG AGLU A 101 568 520 580 12 -81 -86 C
ATOM 14 CG BGLU A 101 -4.215 -1.277 -3.400 0.30 8.60 C
ANISOU 14 CG BGLU A 101 1189 1051 1029 214 -273 -449 C
ATOM 15 CD AGLU A 101 -4.400 -2.688 -2.332 0.70 4.70 C
ANISOU 15 CD AGLU A 101 763 499 524 106 28 -73 C
ATOM 16 CD BGLU A 101 -4.604 -2.275 -2.360 0.30 8.85 C
ANISOU 16 CD BGLU A 101 909 1316 1139 4 60 -374 C
ATOM 17 OE1AGLU A 101 -5.506 -2.283 -2.656 0.70 6.28 O
ANISOU 17 OE1AGLU A 101 624 931 829 0 -18 136 O
ATOM 18 OE1BGLU A 101 -4.257 -3.460 -2.322 0.30 12.24 O
ANISOU 18 OE1BGLU A 101 2231 1155 1265 155 406 -488 O
ATOM 19 OE2AGLU A 101 -4.171 -3.409 -1.335 0.70 6.83 O
ANISOU 19 OE2AGLU A 101 1098 783 714 288 174 133 O
ATOM 20 OE2BGLU A 101 -5.474 -1.780 -1.625 0.30 14.45 O
ANISOU 20 OE2BGLU A 101 1894 2179 1416 755 367 -418 O
ATOM 21 H GLU A 101 -2.171 -3.202 -5.928 1.00 5.44 H
ANISOU 21 H GLU A 101 689 689 689 0 0 0 H
ATOM 22 HA AGLU A 101 -4.664 -3.187 -5.054 1.00 5.67 H
ANISOU 22 HA AGLU A 101 718 718 718 0 0 0 H
ATOM 23 1HB AGLU A 101 -2.672 -1.181 -4.787 0.70 5.55 H
ANISOU 23 1HB AGLU A 101 703 703 703 0 0 0 H
ATOM 24 1HB BGLU A 101 -2.539 -2.127 -4.107 0.30 8.07 H
ANISOU 24 1HB BGLU A 101 1022 1022 1022 0 0 0 H
ATOM 25 2HB AGLU A 101 -4.158 -0.888 -4.277 0.70 5.55 H
ANISOU 25 2HB AGLU A 101 703 703 703 0 0 0 H
ATOM 26 2HB BGLU A 101 -2.990 -0.825 -4.925 0.30 8.07 H
ANISOU 26 2HB BGLU A 101 1022 1022 1022 0 0 0 H
ATOM 27 1HG AGLU A 101 -2.647 -3.091 -3.334 0.70 5.27 H
ANISOU 27 1HG AGLU A 101 667 667 667 0 0 0 H
ATOM 28 1HG BGLU A 101 -3.807 -0.509 -2.928 0.30 10.32 H
ANISOU 28 1HG BGLU A 101 1307 1307 1307 0 0 0 H
ATOM 29 2HG AGLU A 101 -2.628 -1.673 -2.599 0.70 5.27 H
ANISOU 29 2HG AGLU A 101 667 667 667 0 0 0 H
ATOM 30 2HG BGLU A 101 -5.052 -0.948 -3.815 0.30 10.32 H
ANISOU 30 2HG BGLU A 101 1307 1307 1307 0 0 0 H
ATOM 31 N LEU A 102 -4.301 -1.299 -7.617 1.00 4.60 N
ANISOU 31 N LEU A 102 517 519 711 8 -84 25 N
ATOM 32 CA LEU A 102 -5.135 -0.592 -8.595 1.00 4.84 C
ANISOU 32 CA LEU A 102 514 532 792 -1 -99 69 C
ATOM 33 C LEU A 102 -6.347 -1.418 -8.978 1.00 4.58 C
ANISOU 33 C LEU A 102 528 556 654 -11 -65 73 C
ATOM 34 O LEU A 102 -7.455 -0.917 -9.109 1.00 5.26 O
ANISOU 34 O LEU A 102 569 582 849 17 -152 15 O
ATOM 35 CB LEU A 102 -4.277 -0.256 -9.817 1.00 5.41 C
ANISOU 35 CB LEU A 102 544 695 818 -75 -108 135 C
ATOM 36 CG LEU A 102 -4.945 0.651 -10.853 1.00 7.37 C
ANISOU 36 CG LEU A 102 637 1155 1009 -133 -237 422 C
ATOM 37 CD1 LEU A 102 -5.118 2.046 -10.320 1.00 9.72 C
ANISOU 37 CD1 LEU A 102 1104 1239 1351 434 32 610 C
ATOM 38 CD2 LEU A 102 -4.102 0.682 -12.128 1.00 8.56 C
ANISOU 38 CD2 LEU A 102 875 1431 946 -218 -181 425 C
ATOM 39 H LEU A 102 -3.443 -1.424 -7.765 1.00 5.52 H
ANISOU 39 H LEU A 102 699 699 699 0 0 0 H
ATOM 40 HA LEU A 102 -5.451 0.263 -8.184 1.00 5.81 H
ANISOU 40 HA LEU A 102 736 736 736 0 0 0 H
ATOM 41 1HB LEU A 102 -3.446 0.182 -9.506 1.00 6.50 H
ANISOU 41 1HB LEU A 102 823 823 823 0 0 0 H
ATOM 42 2HB LEU A 102 -4.019 -1.103 -10.261 1.00 6.50 H
ANISOU 42 2HB LEU A 102 823 823 823 0 0 0 H
ATOM 43 HG LEU A 102 -5.846 0.277 -11.073 1.00 8.85 H
ANISOU 43 HG LEU A 102 1121 1121 1121 0 0 0 H
ATOM 44 1HD1 LEU A 102 -5.658 2.020 -9.503 1.00 14.58 H
ANISOU 44 1HD1 LEU A 102 1847 1847 1847 0 0 0 H
ATOM 45 2HD1 LEU A 102 -4.239 2.430 -10.118 1.00 14.58 H
ANISOU 45 2HD1 LEU A 102 1847 1847 1847 0 0 0 H
ATOM 46 3HD1 LEU A 102 -5.569 2.599 -10.992 1.00 14.58 H
ANISOU 46 3HD1 LEU A 102 1847 1847 1847 0 0 0 H
ATOM 47 1HD2 LEU A 102 -3.990 -0.231 -12.467 1.00 12.84 H
ANISOU 47 1HD2 LEU A 102 1626 1626 1626 0 0 0 H
ATOM 48 2HD2 LEU A 102 -4.554 1.229 -12.804 1.00 12.84 H
ANISOU 48 2HD2 LEU A 102 1626 1626 1626 0 0 0 H
ATOM 49 3HD2 LEU A 102 -3.224 1.068 -11.929 1.00 12.84 H
ANISOU 49 3HD2 LEU A 102 1626 1626 1626 0 0 0 H
ATOM 50 N LEU A 103 -6.124 -2.722 -9.223 1.00 4.43 N
ANISOU 50 N LEU A 103 515 523 647 -4 -115 31 N
ATOM 51 CA LEU A 103 -7.209 -3.614 -9.571 1.00 4.28 C
ANISOU 51 CA LEU A 103 520 529 579 -50 -94 48 C
ATOM 52 C LEU A 103 -8.157 -3.834 -8.403 1.00 4.48 C
ANISOU 52 C LEU A 103 664 484 554 -96 -61 -35 C
ATOM 53 O LEU A 103 -9.370 -3.847 -8.560 1.00 4.75 O
ANISOU 53 O LEU A 103 549 642 615 -87 -15 -65 O
ATOM 54 CB LEU A 103 -6.627 -4.937 -10.089 1.00 4.66 C
ANISOU 54 CB LEU A 103 661 565 544 1 -80 21 C
ATOM 55 CG LEU A 103 -7.645 -6.007 -10.417 1.00 5.03 C
ANISOU 55 CG LEU A 103 783 567 561 -77 -67 -23 C
ATOM 56 CD1 LEU A 103 -8.689 -5.558 -11.442 1.00 5.79 C
ANISOU 56 CD1 LEU A 103 822 706 671 -184 -151 -38 C
ATOM 57 CD2 LEU A 103 -6.929 -7.264 -10.916 1.00 6.33 C
ANISOU 57 CD2 LEU A 103 1031 622 750 -2 -18 -84 C
ATOM 58 H LEU A 103 -5.304 -3.038 -9.170 1.00 5.32 H
ANISOU 58 H LEU A 103 674 674 674 0 0 0 H
ATOM 59 HA LEU A 103 -7.728 -3.193 -10.315 1.00 5.14 H
ANISOU 59 HA LEU A 103 651 651 651 0 0 0 H
ATOM 60 1HB LEU A 103 -6.097 -4.748 -10.903 1.00 5.59 H
ANISOU 60 1HB LEU A 103 708 708 708 0 0 0 H
ATOM 61 2HB LEU A 103 -6.006 -5.294 -9.406 1.00 5.59 H
ANISOU 61 2HB LEU A 103 708 708 708 0 0 0 H
ATOM 62 HG LEU A 103 -8.126 -6.243 -9.572 1.00 6.03 H
ANISOU 62 HG LEU A 103 764 764 764 0 0 0 H
ATOM 63 1HD1 LEU A 103 -9.177 -4.783 -11.093 1.00 8.68 H
ANISOU 63 1HD1 LEU A 103 1099 1099 1099 0 0 0 H
ATOM 64 2HD1 LEU A 103 -8.240 -5.312 -12.278 1.00 8.68 H
ANISOU 64 2HD1 LEU A 103 1099 1099 1099 0 0 0 H
ATOM 65 3HD1 LEU A 103 -9.317 -6.290 -11.612 1.00 8.68 H
ANISOU 65 3HD1 LEU A 103 1099 1099 1099 0 0 0 H
ATOM 66 1HD2 LEU A 103 -6.323 -7.593 -10.219 1.00 9.49 H
ANISOU 66 1HD2 LEU A 103 1202 1202 1202 0 0 0 H
ATOM 67 2HD2 LEU A 103 -7.591 -7.955 -11.127 1.00 9.49 H
ANISOU 67 2HD2 LEU A 103 1202 1202 1202 0 0 0 H
ATOM 68 3HD2 LEU A 103 -6.414 -7.048 -11.721 1.00 9.49 H
ANISOU 68 3HD2 LEU A 103 1202 1202 1202 0 0 0 H
ATOM 69 N LYS A 104 -7.592 -4.039 -7.200 1.00 5.19 N
ANISOU 69 N LYS A 104 781 614 578 -179 -122 55 N
ATOM 70 CA LYS A 104 -8.452 -4.230 -6.045 1.00 6.67 C
ANISOU 70 CA LYS A 104 1049 944 542 -432 -65 107 C
ATOM 71 C LYS A 104 -9.397 -3.056 -5.851 1.00 6.65 C
ANISOU 71 C LYS A 104 858 1159 508 -475 61 -61 C
ATOM 72 O LYS A 104 -10.564 -3.260 -5.522 1.00 8.07 O
ANISOU 72 O LYS A 104 854 1622 588 -563 15 40 O
ATOM 73 CB ALYS A 104 -7.707 -4.265 -4.705 0.57 8.35 C
ANISOU 73 CB ALYS A 104 1742 851 579 -136 -254 39 C
ATOM 74 CB BLYS A 104 -7.515 -4.620 -4.876 0.43 6.41 C
ANISOU 74 CB BLYS A 104 1361 511 564 -673 -219 78 C
ATOM 75 CG ALYS A 104 -7.110 -5.625 -4.651 0.57 6.12 C
ANISOU 75 CG ALYS A 104 720 916 690 -30 15 84 C
ATOM 76 CG BLYS A 104 -8.111 -5.100 -3.650 0.43 5.45 C
ANISOU 76 CG BLYS A 104 570 855 644 -54 12 193 C
ATOM 77 CD ALYS A 104 -6.706 -5.989 -3.238 0.57 6.31 C
ANISOU 77 CD ALYS A 104 754 831 811 -51 -119 173 C
ATOM 78 CD BLYS A 104 -7.222 -5.503 -2.484 0.43 4.88 C
ANISOU 78 CD BLYS A 104 623 639 591 62 32 83 C
ATOM 79 CE ALYS A 104 -7.841 -6.496 -2.382 0.57 6.16 C
ANISOU 79 CE ALYS A 104 708 816 816 67 -73 48 C
ATOM 80 CE BLYS A 104 -8.061 -5.987 -1.318 0.43 6.35 C
ANISOU 80 CE BLYS A 104 779 917 715 42 -58 220 C
ATOM 81 NZ ALYS A 104 -7.391 -6.756 -0.988 0.57 7.00 N
ANISOU 81 NZ ALYS A 104 979 906 775 -114 -33 12 N
ATOM 82 NZ BLYS A 104 -7.158 -6.372 -0.191 0.43 6.40 N
ANISOU 82 NZ BLYS A 104 879 951 602 -41 -51 89 N
ATOM 83 H LYS A 104 -6.716 -4.057 -7.115 1.00 6.23 H
ANISOU 83 H LYS A 104 789 789 789 0 0 0 H
ATOM 84 HA ALYS A 104 -8.981 -5.072 -6.157 1.00 8.01 H
ANISOU 84 HA ALYS A 104 1014 1014 1014 0 0 0 H
ATOM 85 1HB ALYS A 104 -7.003 -3.569 -4.674 0.57 10.02 H
ANISOU 85 1HB ALYS A 104 1269 1269 1269 0 0 0 H
ATOM 86 1HB BLYS A 104 -6.898 -5.321 -5.206 0.43 7.69 H
ANISOU 86 1HB BLYS A 104 974 974 974 0 0 0 H
ATOM 87 2HB ALYS A 104 -8.331 -4.123 -3.950 0.57 10.02 H
ANISOU 87 2HB ALYS A 104 1269 1269 1269 0 0 0 H
ATOM 88 2HB BLYS A 104 -6.964 -3.828 -4.654 0.43 7.69 H
ANISOU 88 2HB BLYS A 104 974 974 974 0 0 0 H
ATOM 89 1HG ALYS A 104 -7.766 -6.286 -4.985 0.57 7.34 H
ANISOU 89 1HG ALYS A 104 930 930 930 0 0 0 H
ATOM 90 1HG BLYS A 104 -8.724 -4.395 -3.324 0.43 6.53 H
ANISOU 90 1HG BLYS A 104 827 827 827 0 0 0 H
ATOM 91 2HG ALYS A 104 -6.314 -5.659 -5.239 0.57 7.34 H
ANISOU 91 2HG ALYS A 104 930 930 930 0 0 0 H
ATOM 92 2HG BLYS A 104 -8.670 -5.884 -3.880 0.43 6.53 H
ANISOU 92 2HG BLYS A 104 827 827 827 0 0 0 H
ATOM 93 1HD ALYS A 104 -6.003 -6.686 -3.279 0.57 7.57 H
ANISOU 93 1HD ALYS A 104 959 959 959 0 0 0 H
ATOM 94 1HD BLYS A 104 -6.607 -6.223 -2.771 0.43 5.85 H
ANISOU 94 1HD BLYS A 104 741 741 741 0 0 0 H
ATOM 95 2HD ALYS A 104 -6.312 -5.191 -2.805 0.57 7.57 H
ANISOU 95 2HD ALYS A 104 959 959 959 0 0 0 H
ATOM 96 2HD BLYS A 104 -6.677 -4.727 -2.200 0.43 5.85 H
ANISOU 96 2HD BLYS A 104 741 741 741 0 0 0 H
ATOM 97 1HE ALYS A 104 -8.570 -5.825 -2.372 0.57 7.39 H
ANISOU 97 1HE ALYS A 104 936 936 936 0 0 0 H
ATOM 98 1HE BLYS A 104 -8.676 -5.269 -1.025 0.43 7.62 H
ANISOU 98 1HE BLYS A 104 965 965 965 0 0 0 H
ATOM 99 2HE ALYS A 104 -8.200 -7.332 -2.772 0.57 7.39 H
ANISOU 99 2HE ALYS A 104 936 936 936 0 0 0 H
ATOM 100 2HE BLYS A 104 -8.604 -6.767 -1.595 0.43 7.62 H
ANISOU 100 2HE BLYS A 104 965 965 965 0 0 0 H
ATOM 101 1HZ ALYS A 104 -7.070 -5.986 -0.624 0.57 10.51 H
ANISOU 101 1HZ ALYS A 104 1331 1331 1331 0 0 0 H
ATOM 102 1HZ BLYS A 104 -6.665 -5.651 0.064 0.43 9.60 H
ANISOU 102 1HZ BLYS A 104 1216 1216 1216 0 0 0 H
ATOM 103 2HZ ALYS A 104 -8.094 -7.055 -0.493 0.57 10.51 H
ANISOU 103 2HZ ALYS A 104 1331 1331 1331 0 0 0 H
ATOM 104 2HZ BLYS A 104 -7.657 -6.662 0.513 0.43 9.60 H
ANISOU 104 2HZ BLYS A 104 1216 1216 1216 0 0 0 H
ATOM 105 3HZ ALYS A 104 -6.734 -7.385 -0.993 0.57 10.51 H
ANISOU 105 3HZ ALYS A 104 1331 1331 1331 0 0 0 H
ATOM 106 3HZ BLYS A 104 -6.601 -7.039 -0.463 0.43 9.60 H
ANISOU 106 3HZ BLYS A 104 1216 1216 1216 0 0 0 H
ATOM 107 N LYS A 105 -8.899 -1.853 -6.025 1.00 6.59 N
ANISOU 107 N LYS A 105 698 1126 681 -266 172 -273 N
ATOM 108 CA LYS A 105 -9.727 -0.655 -5.822 1.00 7.55 C
ANISOU 108 CA LYS A 105 732 1264 873 -310 283 -560 C
ATOM 109 C LYS A 105 -10.858 -0.566 -6.821 1.00 5.98 C
ANISOU 109 C LYS A 105 836 665 772 -265 296 -251 C
ATOM 110 O LYS A 105 -11.981 -0.212 -6.470 1.00 6.37 O
ANISOU 110 O LYS A 105 822 771 828 -204 325 -289 O
ATOM 111 CB ALYS A 105 -8.799 0.623 -6.018 0.44 9.71 C
ANISOU 111 CB ALYS A 105 990 1252 1447 -494 406 -975 C
ATOM 112 CB BLYS A 105 -8.863 0.540 -5.646 0.56 8.78 C
ANISOU 112 CB BLYS A 105 945 1315 1076 -397 372 -711 C
ATOM 113 CG ALYS A 105 -7.872 0.942 -4.981 0.44 11.88 C
ANISOU 113 CG ALYS A 105 1121 1068 2324 -232 -283 -940 C
ATOM 114 CG BLYS A 105 -7.911 0.335 -4.315 0.56 7.36 C
ANISOU 114 CG BLYS A 105 843 987 965 -412 359 -213 C
ATOM 115 CD ALYS A 105 -6.823 1.597 -4.442 0.44 9.36 C
ANISOU 115 CD ALYS A 105 774 1452 1330 -685 551 -555 C
ATOM 116 CD BLYS A 105 -7.018 1.280 -4.136 0.56 15.42 C
ANISOU 116 CD BLYS A 105 2810 725 2322 -624 -1194 67 C
ATOM 117 CE ALYS A 105 -6.206 1.192 -3.056 0.44 8.63 C
ANISOU 117 CE ALYS A 105 982 812 1487 90 359 -741 C
ATOM 118 CE BLYS A 105 -6.161 1.492 -2.888 0.56 16.03 C
ANISOU 118 CE BLYS A 105 2301 1507 2283 -969 -1242 656 C
ATOM 119 NZ ALYS A 105 -5.020 2.270 -2.777 0.44 7.46 N
ANISOU 119 NZ ALYS A 105 986 961 889 -90 -82 -76 N
ATOM 120 NZ BLYS A 105 -6.735 1.180 -1.674 0.56 26.11 N
ANISOU 120 NZ BLYS A 105 2064 5969 1887 -995 -17 -2057 N
ATOM 121 H LYS A 105 -8.058 -1.763 -6.266 1.00 7.91 H
ANISOU 121 H LYS A 105 1002 1002 1002 0 0 0 H
ATOM 122 HA ALYS A 105 -10.099 -0.659 -4.894 1.00 9.06 H
ANISOU 122 HA ALYS A 105 1147 1147 1147 0 0 0 H
ATOM 123 1HB ALYS A 105 -8.286 0.500 -6.856 0.44 11.65 H
ANISOU 123 1HB ALYS A 105 1475 1475 1475 0 0 0 H
ATOM 124 1HB BLYS A 105 -8.296 0.666 -6.447 0.56 10.54 H
ANISOU 124 1HB BLYS A 105 1335 1335 1335 0 0 0 H
ATOM 125 2HB ALYS A 105 -9.388 1.408 -6.150 0.44 11.65 H
ANISOU 125 2HB ALYS A 105 1475 1475 1475 0 0 0 H
ATOM 126 2HB BLYS A 105 -9.426 1.347 -5.534 0.56 10.54 H
ANISOU 126 2HB BLYS A 105 1335 1335 1335 0 0 0 H
ATOM 127 1HG ALYS A 105 -8.531 1.134 -4.267 0.44 14.25 H
ANISOU 127 1HG ALYS A 105 1805 1805 1805 0 0 0 H
ATOM 128 1HG BLYS A 105 -8.492 0.292 -3.514 0.56 8.83 H
ANISOU 128 1HG BLYS A 105 1118 1118 1118 0 0 0 H
ATOM 129 2HG ALYS A 105 -7.572 0.020 -4.781 0.44 14.25 H
ANISOU 129 2HG ALYS A 105 1805 1805 1805 0 0 0 H
ATOM 130 2HG BLYS A 105 -7.442 -0.534 -4.392 0.56 8.83 H
ANISOU 130 2HG BLYS A 105 1118 1118 1118 0 0 0 H
ATOM 131 1HD ALYS A 105 -6.089 1.554 -5.105 0.44 11.23 H
ANISOU 131 1HD ALYS A 105 1422 1422 1422 0 0 0 H
ATOM 132 1HD BLYS A 105 -6.380 1.193 -4.888 0.56 18.50 H
ANISOU 132 1HD BLYS A 105 2343 2343 2343 0 0 0 H
ATOM 133 2HD ALYS A 105 -7.085 2.549 -4.372 0.44 11.23 H
ANISOU 133 2HD ALYS A 105 1422 1422 1422 0 0 0 H
ATOM 134 2HD BLYS A 105 -7.498 2.134 -4.280 0.56 18.50 H
ANISOU 134 2HD BLYS A 105 2343 2343 2343 0 0 0 H
ATOM 135 1HE ALYS A 105 -6.891 1.235 -2.343 0.44 10.36 H
ANISOU 135 1HE ALYS A 105 1312 1312 1312 0 0 0 H
ATOM 136 1HE BLYS A 105 -5.338 0.950 -2.986 0.56 19.24 H
ANISOU 136 1HE BLYS A 105 2437 2437 2437 0 0 0 H
ATOM 137 2HE ALYS A 105 -5.840 0.273 -3.092 0.44 10.36 H
ANISOU 137 2HE ALYS A 105 1312 1312 1312 0 0 0 H
ATOM 138 2HE BLYS A 105 -5.886 2.442 -2.863 0.56 19.24 H
ANISOU 138 2HE BLYS A 105 2437 2437 2437 0 0 0 H
ATOM 139 1HZ ALYS A 105 -5.346 3.114 -2.883 0.44 11.20 H
ANISOU 139 1HZ ALYS A 105 1418 1418 1418 0 0 0 H
ATOM 140 1HZ BLYS A 105 -7.179 0.389 -1.742 0.56 39.16 H
ANISOU 140 1HZ BLYS A 105 4960 4960 4960 0 0 0 H
ATOM 141 2HZ ALYS A 105 -4.713 2.169 -1.926 0.44 11.20 H
ANISOU 141 2HZ ALYS A 105 1418 1418 1418 0 0 0 H
ATOM 142 2HZ BLYS A 105 -6.086 1.110 -1.040 0.56 39.16 H
ANISOU 142 2HZ BLYS A 105 4960 4960 4960 0 0 0 H
ATOM 143 3HZ ALYS A 105 -4.339 2.132 -3.364 0.44 11.20 H
ANISOU 143 3HZ ALYS A 105 1418 1418 1418 0 0 0 H
ATOM 144 3HZ BLYS A 105 -7.320 1.837 -1.437 0.56 39.16 H
ANISOU 144 3HZ BLYS A 105 4960 4960 4960 0 0 0 H
ATOM 145 N LEU A 106 -10.569 -0.885 -8.086 1.00 5.39 N
ANISOU 145 N LEU A 106 754 557 739 -195 288 -128 N
ATOM 146 CA LEU A 106 -11.641 -0.934 -9.082 1.00 5.09 C
ANISOU 146 CA LEU A 106 782 452 701 -39 239 -47 C
ATOM 147 C LEU A 106 -12.710 -1.912 -8.647 1.00 4.84 C
ANISOU 147 C LEU A 106 742 523 573 -43 195 -62 C
ATOM 148 O LEU A 106 -13.898 -1.620 -8.710 1.00 5.36 O
ANISOU 148 O LEU A 106 769 550 718 -27 204 -3 O
ATOM 149 CB LEU A 106 -11.073 -1.335 -10.446 1.00 5.26 C
ANISOU 149 CB LEU A 106 880 486 633 50 241 -6 C
ATOM 150 CG LEU A 106 -10.130 -0.333 -11.085 1.00 4.91 C
ANISOU 150 CG LEU A 106 661 599 604 77 100 41 C
ATOM 151 CD1 LEU A 106 -9.370 -0.953 -12.216 1.00 7.66 C
ANISOU 151 CD1 LEU A 106 1243 782 886 434 523 279 C
ATOM 152 CD2 LEU A 106 -10.868 0.883 -11.584 1.00 5.05 C
ANISOU 152 CD2 LEU A 106 762 487 668 40 142 -33 C
ATOM 153 H LEU A 106 -9.739 -1.063 -8.319 1.00 6.47 H
ANISOU 153 H LEU A 106 819 819 819 0 0 0 H
ATOM 154 HA LEU A 106 -12.049 -0.024 -9.159 1.00 6.11 H
ANISOU 154 HA LEU A 106 774 774 774 0 0 0 H
ATOM 155 1HB LEU A 106 -10.592 -2.195 -10.344 1.00 6.31 H
ANISOU 155 1HB LEU A 106 799 799 799 0 0 0 H
ATOM 156 2HB LEU A 106 -11.830 -1.491 -11.065 1.00 6.31 H
ANISOU 156 2HB LEU A 106 799 799 799 0 0 0 H
ATOM 157 HG LEU A 106 -9.473 -0.037 -10.392 1.00 5.89 H
ANISOU 157 HG LEU A 106 746 746 746 0 0 0 H
ATOM 158 1HD1 LEU A 106 -8.890 -1.744 -11.893 1.00 11.49 H
ANISOU 158 1HD1 LEU A 106 1455 1455 1455 0 0 0 H
ATOM 159 2HD1 LEU A 106 -9.995 -1.217 -12.924 1.00 11.49 H
ANISOU 159 2HD1 LEU A 106 1455 1455 1455 0 0 0 H
ATOM 160 3HD1 LEU A 106 -8.728 -0.304 -12.573 1.00 11.49 H
ANISOU 160 3HD1 LEU A 106 1455 1455 1455 0 0 0 H
ATOM 161 1HD2 LEU A 106 -11.364 1.290 -10.844 1.00 7.57 H
ANISOU 161 1HD2 LEU A 106 959 959 959 0 0 0 H
ATOM 162 2HD2 LEU A 106 -10.226 1.530 -11.943 1.00 7.57 H
ANISOU 162 2HD2 LEU A 106 959 959 959 0 0 0 H
ATOM 163 3HD2 LEU A 106 -11.494 0.618 -12.290 1.00 7.57 H
ANISOU 163 3HD2 LEU A 106 959 959 959 0 0 0 H
ATOM 164 N LEU A 107 -12.289 -3.107 -8.237 1.00 4.68 N
ANISOU 164 N LEU A 107 700 476 602 -95 112 -15 N
ATOM 165 CA LEU A 107 -13.247 -4.148 -7.885 1.00 4.76 C
ANISOU 165 CA LEU A 107 641 516 653 -136 94 8 C
ATOM 166 C LEU A 107 -14.034 -3.809 -6.620 1.00 4.62 C
ANISOU 166 C LEU A 107 680 433 641 -83 141 15 C
ATOM 167 O LEU A 107 -15.217 -4.108 -6.550 1.00 5.23 O
ANISOU 167 O LEU A 107 650 556 780 -76 168 1 O
ATOM 168 CB LEU A 107 -12.528 -5.483 -7.737 1.00 5.03 C
ANISOU 168 CB LEU A 107 783 482 645 -109 149 -79 C
ATOM 169 CG LEU A 107 -12.040 -6.050 -9.059 1.00 5.51 C
ANISOU 169 CG LEU A 107 847 604 645 -142 154 -141 C
ATOM 170 CD1 LEU A 107 -11.097 -7.203 -8.838 1.00 6.69 C
ANISOU 170 CD1 LEU A 107 1091 561 891 -82 360 -113 C
ATOM 171 CD2 LEU A 107 -13.234 -6.551 -9.876 1.00 9.88 C
ANISOU 171 CD2 LEU A 107 1338 1319 1097 -42 -235 -592 C
ATOM 172 H LEU A 107 -11.426 -3.269 -8.177 1.00 5.61 H
ANISOU 172 H LEU A 107 711 711 711 0 0 0 H
ATOM 173 HA LEU A 107 -13.899 -4.233 -8.639 1.00 5.72 H
ANISOU 173 HA LEU A 107 724 724 724 0 0 0 H
ATOM 174 1HB LEU A 107 -11.753 -5.365 -7.132 1.00 6.03 H
ANISOU 174 1HB LEU A 107 764 764 764 0 0 0 H
ATOM 175 2HB LEU A 107 -13.143 -6.134 -7.315 1.00 6.03 H
ANISOU 175 2HB LEU A 107 764 764 764 0 0 0 H
ATOM 176 HG LEU A 107 -11.569 -5.333 -9.571 1.00 6.62 H
ANISOU 176 HG LEU A 107 838 838 838 0 0 0 H
ATOM 177 1HD1 LEU A 107 -11.557 -7.913 -8.343 1.00 10.04 H
ANISOU 177 1HD1 LEU A 107 1272 1272 1272 0 0 0 H
ATOM 178 2HD1 LEU A 107 -10.797 -7.551 -9.704 1.00 10.04 H
ANISOU 178 2HD1 LEU A 107 1272 1272 1272 0 0 0 H
ATOM 179 3HD1 LEU A 107 -10.321 -6.897 -8.324 1.00 10.04 H
ANISOU 179 3HD1 LEU A 107 1272 1272 1272 0 0 0 H
ATOM 180 1HD2 LEU A 107 -13.848 -5.807 -10.047 1.00 14.82 H
ANISOU 180 1HD2 LEU A 107 1877 1877 1877 0 0 0 H
ATOM 181 2HD2 LEU A 107 -12.917 -6.915 -10.728 1.00 14.82 H
ANISOU 181 2HD2 LEU A 107 1877 1877 1877 0 0 0 H
ATOM 182 3HD2 LEU A 107 -13.702 -7.252 -9.375 1.00 14.82 H
ANISOU 182 3HD2 LEU A 107 1877 1877 1877 0 0 0 H
ATOM 183 N GLU A 108 -13.380 -3.203 -5.634 1.00 4.78 N
ANISOU 183 N GLU A 108 627 549 640 -79 157 -18 N
ATOM 184 CA GLU A 108 -14.116 -2.836 -4.428 1.00 5.44 C
ANISOU 184 CA GLU A 108 844 664 558 65 111 10 C
ATOM 185 C GLU A 108 -15.202 -1.837 -4.752 1.00 4.52 C
ANISOU 185 C GLU A 108 641 571 507 -95 66 -54 C
ATOM 186 O GLU A 108 -16.303 -1.892 -4.182 1.00 5.09 O
ANISOU 186 O GLU A 108 649 675 611 -98 32 13 O
ATOM 187 CB AGLU A 108 -13.039 -2.009 -3.500 0.45 7.19 C
ANISOU 187 CB AGLU A 108 846 1212 673 19 -37 -115 C
ATOM 188 CB BGLU A 108 -13.353 -2.538 -3.254 0.32 4.91 C
ANISOU 188 CB BGLU A 108 909 602 353 77 160 87 C
ATOM 189 CB CGLU A 108 -13.080 -2.166 -3.449 0.24 5.54 C
ANISOU 189 CB CGLU A 108 692 889 523 -14 16 196 C
ATOM 190 CG AGLU A 108 -12.078 -2.783 -2.705 0.45 7.64 C
ANISOU 190 CG AGLU A 108 685 1498 720 89 67 -316 C
ATOM 191 CG BGLU A 108 -12.814 -1.160 -3.357 0.32 4.48 C
ANISOU 191 CG BGLU A 108 627 681 393 -16 69 -110 C
ATOM 192 CG CGLU A 108 -13.635 -1.677 -2.243 0.24 5.97 C
ANISOU 192 CG CGLU A 108 755 967 547 -262 44 -41 C
ATOM 193 CD AGLU A 108 -10.854 -1.884 -2.103 0.45 9.71 C
ANISOU 193 CD AGLU A 108 1424 1570 695 -258 -222 -54 C
ATOM 194 CD BGLU A 108 -11.762 -0.900 -2.285 0.32 6.76 C
ANISOU 194 CD BGLU A 108 993 878 699 11 -210 -102 C
ATOM 195 CD CGLU A 108 -12.979 -1.246 -1.007 0.24 13.76 C
ANISOU 195 CD CGLU A 108 1803 2041 1385 20 -785 -866 C
ATOM 196 OE1AGLU A 108 -11.053 -0.651 -2.029 0.45 14.95 O
ANISOU 196 OE1AGLU A 108 2485 1513 1681 -523 -905 145 O
ATOM 197 OE1BGLU A 108 -11.555 -1.856 -1.502 0.32 9.51 O
ANISOU 197 OE1BGLU A 108 1529 1725 359 -854 -411 370 O
ATOM 198 OE1CGLU A 108 -11.955 -1.896 -0.511 0.24 10.45 O
ANISOU 198 OE1CGLU A 108 1405 1387 1177 -824 -605 104 O
ATOM 199 OE2AGLU A 108 -9.987 -2.532 -1.765 0.45 14.49 O
ANISOU 199 OE2AGLU A 108 879 2482 2143 -58 -437 -658 O
ATOM 200 OE2BGLU A 108 -11.218 0.200 -2.325 0.32 7.64 O
ANISOU 200 OE2BGLU A 108 1082 1158 665 -495 -21 -174 O
ATOM 201 OE2CGLU A 108 -13.535 -0.174 -0.416 0.24 10.94 O
ANISOU 201 OE2CGLU A 108 2269 1176 712 -516 -285 -227 O
ATOM 202 H GLU A 108 -12.521 -3.026 -5.707 1.00 5.74 H
ANISOU 202 H GLU A 108 727 727 727 0 0 0 H
ATOM 203 HA AGLU A 108 -14.477 -3.639 -3.954 1.00 6.52 H
ANISOU 203 HA AGLU A 108 826 826 826 0 0 0 H
ATOM 204 1HB AGLU A 108 -12.525 -1.408 -4.095 0.45 8.62 H
ANISOU 204 1HB AGLU A 108 1092 1092 1092 0 0 0 H
ATOM 205 1HB BGLU A 108 -13.928 -2.614 -2.452 0.32 5.89 H
ANISOU 205 1HB BGLU A 108 746 746 746 0 0 0 H
ATOM 206 1HB CGLU A 108 -12.380 -2.830 -3.227 0.24 6.64 H
ANISOU 206 1HB CGLU A 108 841 841 841 0 0 0 H
ATOM 207 2HB AGLU A 108 -13.553 -1.435 -2.879 0.45 8.62 H
ANISOU 207 2HB AGLU A 108 1092 1092 1092 0 0 0 H
ATOM 208 2HB BGLU A 108 -12.608 -3.184 -3.164 0.32 5.89 H
ANISOU 208 2HB BGLU A 108 746 746 746 0 0 0 H
ATOM 209 2HB CGLU A 108 -12.640 -1.415 -3.921 0.24 6.64 H
ANISOU 209 2HB CGLU A 108 841 841 841 0 0 0 H
ATOM 210 1HG AGLU A 108 -12.557 -3.214 -1.954 0.45 9.17 H
ANISOU 210 1HG AGLU A 108 1161 1161 1161 0 0 0 H
ATOM 211 1HG BGLU A 108 -12.411 -1.031 -4.252 0.32 5.37 H
ANISOU 211 1HG BGLU A 108 680 680 680 0 0 0 H
ATOM 212 1HG CGLU A 108 -14.188 -0.903 -2.517 0.24 7.17 H
ANISOU 212 1HG CGLU A 108 908 908 908 0 0 0 H
ATOM 213 2HG AGLU A 108 -11.698 -3.501 -3.272 0.45 9.17 H
ANISOU 213 2HG AGLU A 108 1161 1161 1161 0 0 0 H
ATOM 214 2HG BGLU A 108 -13.554 -0.509 -3.257 0.32 5.37 H
ANISOU 214 2HG BGLU A 108 680 680 680 0 0 0 H
ATOM 215 2HG CGLU A 108 -14.274 -2.377 -1.958 0.24 7.17 H
ANISOU 215 2HG CGLU A 108 908 908 908 0 0 0 H
ATOM 216 N GLU A 109 -14.928 -0.887 -5.644 1.00 4.74 N
ANISOU 216 N GLU A 109 688 510 605 -60 121 -33 N
ATOM 217 CA GLU A 109 -15.925 0.117 -5.974 1.00 4.68 C
ANISOU 217 CA GLU A 109 693 472 614 -35 105 -49 C
ATOM 218 C GLU A 109 -17.026 -0.437 -6.862 1.00 4.90 C
ANISOU 218 C GLU A 109 789 444 630 -47 33 36 C
ATOM 219 O GLU A 109 -18.178 -0.072 -6.701 1.00 6.01 O
ANISOU 219 O GLU A 109 832 615 835 84 -67 -94 O
ATOM 220 CB GLU A 109 -15.260 1.347 -6.548 1.00 5.54 C
ANISOU 220 CB GLU A 109 813 513 779 -77 169 -17 C
ATOM 221 CG GLU A 109 -14.375 2.051 -5.503 1.00 5.92 C
ANISOU 221 CG GLU A 109 789 547 914 -120 188 -95 C
ATOM 222 CD GLU A 109 -15.125 2.487 -4.278 1.00 6.80 C
ANISOU 222 CD GLU A 109 909 720 956 63 75 -124 C
ATOM 223 OE1 GLU A 109 -16.209 3.036 -4.403 1.00 9.21 O
ANISOU 223 OE1 GLU A 109 1171 1287 1041 370 -17 -382 O
ATOM 224 OE2 GLU A 109 -14.642 2.237 -3.164 1.00 12.89 O
ANISOU 224 OE2 GLU A 109 1487 2516 895 440 189 294 O
ATOM 225 H GLU A 109 -14.139 -0.866 -6.035 1.00 5.69 H
ANISOU 225 H GLU A 109 721 721 721 0 0 0 H
ATOM 226 HA GLU A 109 -16.356 0.393 -5.115 1.00 5.62 H
ANISOU 226 HA GLU A 109 712 712 712 0 0 0 H
ATOM 227 1HB GLU A 109 -14.705 1.087 -7.326 1.00 6.65 H
ANISOU 227 1HB GLU A 109 842 842 842 0 0 0 H
ATOM 228 2HB GLU A 109 -15.955 1.977 -6.866 1.00 6.65 H
ANISOU 228 2HB GLU A 109 842 842 842 0 0 0 H
ATOM 229 1HG GLU A 109 -13.649 1.435 -5.232 1.00 7.11 H
ANISOU 229 1HG GLU A 109 900 900 900 0 0 0 H
ATOM 230 2HG GLU A 109 -13.955 2.845 -5.921 1.00 7.11 H
ANISOU 230 2HG GLU A 109 900 900 900 0 0 0 H
ATOM 231 N LEU A 110 -16.688 -1.350 -7.783 1.00 5.09 N
ANISOU 231 N LEU A 110 906 469 559 -66 57 6 N
ATOM 232 CA LEU A 110 -17.730 -2.033 -8.545 1.00 5.41 C
ANISOU 232 CA LEU A 110 949 547 560 -46 -115 82 C
ATOM 233 C LEU A 110 -18.659 -2.802 -7.644 1.00 5.01 C
ANISOU 233 C LEU A 110 793 505 608 5 -161 17 C
ATOM 234 O LEU A 110 -19.875 -2.789 -7.806 1.00 5.87 O
ANISOU 234 O LEU A 110 794 664 771 52 -236 63 O
ATOM 235 CB LEU A 110 -17.087 -2.979 -9.556 1.00 6.50 C
ANISOU 235 CB LEU A 110 1329 627 514 -173 -26 24 C
ATOM 236 CG LEU A 110 -16.507 -2.292 -10.775 1.00 8.51 C
ANISOU 236 CG LEU A 110 2037 741 454 -348 111 -38 C
ATOM 237 CD1 LEU A 110 -15.500 -3.202 -11.419 1.00 12.35 C
ANISOU 237 CD1 LEU A 110 2979 874 839 -271 821 -107 C
ATOM 238 CD2 LEU A 110 -17.623 -1.914 -11.745 1.00 11.86 C
ANISOU 238 CD2 LEU A 110 2825 1113 570 -628 -365 204 C
ATOM 239 H LEU A 110 -15.840 -1.537 -7.929 1.00 6.11 H
ANISOU 239 H LEU A 110 774 774 774 0 0 0 H
ATOM 240 HA LEU A 110 -18.262 -1.348 -9.042 1.00 6.49 H
ANISOU 240 HA LEU A 110 822 822 822 0 0 0 H
ATOM 241 1HB LEU A 110 -16.366 -3.484 -9.104 1.00 7.80 H
ANISOU 241 1HB LEU A 110 988 988 988 0 0 0 H
ATOM 242 2HB LEU A 110 -17.768 -3.633 -9.855 1.00 7.80 H
ANISOU 242 2HB LEU A 110 988 988 988 0 0 0 H
ATOM 243 HG LEU A 110 -16.042 -1.457 -10.481 1.00 10.21 H
ANISOU 243 HG LEU A 110 1293 1293 1293 0 0 0 H
ATOM 244 1HD1 LEU A 110 -14.784 -3.401 -10.781 1.00 18.52 H
ANISOU 244 1HD1 LEU A 110 2346 2346 2346 0 0 0 H
ATOM 245 2HD1 LEU A 110 -15.939 -4.036 -11.689 1.00 18.52 H
ANISOU 245 2HD1 LEU A 110 2346 2346 2346 0 0 0 H
ATOM 246 3HD1 LEU A 110 -15.121 -2.763 -12.209 1.00 18.52 H
ANISOU 246 3HD1 LEU A 110 2346 2346 2346 0 0 0 H
ATOM 247 1HD2 LEU A 110 -18.254 -1.313 -11.298 1.00 17.79 H
ANISOU 247 1HD2 LEU A 110 2253 2253 2253 0 0 0 H
ATOM 248 2HD2 LEU A 110 -17.239 -1.463 -12.525 1.00 17.79 H
ANISOU 248 2HD2 LEU A 110 2253 2253 2253 0 0 0 H
ATOM 249 3HD2 LEU A 110 -18.093 -2.724 -12.034 1.00 17.79 H
ANISOU 249 3HD2 LEU A 110 2253 2253 2253 0 0 0 H
ATOM 250 N LYS A 111 -18.101 -3.540 -6.673 1.00 4.44 N
ANISOU 250 N LYS A 111 569 549 569 -48 -72 81 N
ATOM 251 CA LYS A 111 -18.932 -4.283 -5.753 1.00 4.25 C
ANISOU 251 CA LYS A 111 529 514 572 -60 -101 36 C
ATOM 252 C LYS A 111 -19.838 -3.346 -4.974 1.00 4.67 C
ANISOU 252 C LYS A 111 576 587 612 -4 -129 47 C
ATOM 253 O LYS A 111 -21.031 -3.606 -4.799 1.00 5.17 O
ANISOU 253 O LYS A 111 495 712 759 0 -110 6 O
ATOM 254 CB LYS A 111 -18.046 -5.108 -4.814 1.00 4.27 C
ANISOU 254 CB LYS A 111 566 512 546 -2 -56 25 C
ATOM 255 CG LYS A 111 -18.840 -5.782 -3.723 1.00 5.09 C
ANISOU 255 CG LYS A 111 584 702 647 -121 -115 148 C
ATOM 256 CD LYS A 111 -18.041 -6.512 -2.706 1.00 5.85 C
ANISOU 256 CD LYS A 111 653 874 694 80 -1 240 C
ATOM 257 CE LYS A 111 -18.734 -6.847 -1.480 1.00 8.49 C
ANISOU 257 CE LYS A 111 612 1866 750 26 -22 492 C
ATOM 258 NZ LYS A 111 -18.090 -7.487 -0.455 1.00 9.72 N
ANISOU 258 NZ LYS A 111 801 2069 825 149 49 684 N
ATOM 259 H LYS A 111 -17.225 -3.573 -6.596 1.00 5.33 H
ANISOU 259 H LYS A 111 675 675 675 0 0 0 H
ATOM 260 HA LYS A 111 -19.504 -4.911 -6.280 1.00 5.10 H
ANISOU 260 HA LYS A 111 646 646 646 0 0 0 H
ATOM 261 1HB LYS A 111 -17.568 -5.797 -5.340 1.00 5.13 H
ANISOU 261 1HB LYS A 111 650 650 650 0 0 0 H
ATOM 262 2HB LYS A 111 -17.368 -4.515 -4.403 1.00 5.13 H
ANISOU 262 2HB LYS A 111 650 650 650 0 0 0 H
ATOM 263 1HG LYS A 111 -19.381 -5.094 -3.260 1.00 6.10 H
ANISOU 263 1HG LYS A 111 773 773 773 0 0 0 H
ATOM 264 2HG LYS A 111 -19.469 -6.420 -4.143 1.00 6.10 H
ANISOU 264 2HG LYS A 111 773 773 773 0 0 0 H
ATOM 265 1HD LYS A 111 -17.709 -7.351 -3.114 1.00 7.02 H
ANISOU 265 1HD LYS A 111 889 889 889 0 0 0 H
ATOM 266 2HD LYS A 111 -17.251 -5.962 -2.476 1.00 7.02 H
ANISOU 266 2HD LYS A 111 889 889 889 0 0 0 H
ATOM 267 1HE LYS A 111 -19.098 -6.003 -1.112 1.00 10.19 H
ANISOU 267 1HE LYS A 111 1291 1291 1291 0 0 0 H
ATOM 268 2HE LYS A 111 -19.511 -7.408 -1.729 1.00 10.19 H
ANISOU 268 2HE LYS A 111 1291 1291 1291 0 0 0 H
ATOM 269 1HZ LYS A 111 -17.390 -6.978 -0.172 1.00 14.59 H
ANISOU 269 1HZ LYS A 111 1848 1848 1848 0 0 0 H
ATOM 270 2HZ LYS A 111 -18.669 -7.615 0.235 1.00 14.59 H
ANISOU 270 2HZ LYS A 111 1848 1848 1848 0 0 0 H
ATOM 271 3HZ LYS A 111 -17.782 -8.292 -0.745 1.00 14.59 H
ANISOU 271 3HZ LYS A 111 1848 1848 1848 0 0 0 H
ATOM 272 N GLY A 112 -19.252 -2.266 -4.457 1.00 5.05 N
ANISOU 272 N GLY A 112 606 602 712 -41 -71 -48 N
ATOM 273 CA GLY A 112 -19.977 -1.323 -3.669 1.00 5.96 C
ANISOU 273 CA GLY A 112 737 663 865 8 -76 -97 C
ATOM 274 C GLY A 112 -20.271 -1.746 -2.261 1.00 6.65 C
ANISOU 274 C GLY A 112 779 882 868 165 -100 -125 C
ATOM 275 O GLY A 112 -19.747 -2.777 -1.802 1.00 7.03 O
ANISOU 275 O GLY A 112 913 966 791 104 -43 -33 O
ATOM 276 OXT GLY A 112 -21.061 -1.017 -1.605 1.00 9.17 O
ANISOU 276 OXT GLY A 112 1122 1277 1085 389 90 -179 O
ATOM 277 H GLY A 112 -18.395 -2.132 -4.605 1.00 6.06 H
ANISOU 277 H GLY A 112 768 768 768 0 0 0 H
ATOM 278 1HA GLY A 112 -19.461 -0.479 -3.640 1.00 7.15 H
ANISOU 278 1HA GLY A 112 906 906 906 0 0 0 H
ATOM 279 2HA GLY A 112 -20.836 -1.131 -4.123 1.00 7.15 H
ANISOU 279 2HA GLY A 112 906 906 906 0 0 0 H
TER 280 GLY A 112
HETATM 281 C ACE B 200 -15.394 9.718 -6.303 1.00 4.34 C
ANISOU 281 C ACE B 200 497 534 616 41 29 -59 C
HETATM 282 O ACE B 200 -14.197 9.919 -6.550 1.00 4.70 O
ANISOU 282 O ACE B 200 473 621 693 4 93 18 O
HETATM 283 CH3 ACE B 200 -16.478 10.397 -7.087 1.00 5.37 C
ANISOU 283 CH3 ACE B 200 635 725 680 109 -18 43 C
HETATM 284 1H ACE B 200 -17.352 10.118 -6.744 1.00 8.05 H
ANISOU 284 1H ACE B 200 1020 1020 1020 0 0 0 H
HETATM 285 2H ACE B 200 -16.402 10.147 -8.031 1.00 8.05 H
ANISOU 285 2H ACE B 200 1020 1020 1020 0 0 0 H
HETATM 286 3H ACE B 200 -16.386 11.368 -6.997 1.00 8.05 H
ANISOU 286 3H ACE B 200 1020 1020 1020 0 0 0 H
ATOM 287 N GLU B 201 -15.777 8.869 -5.350 1.00 4.17 N
ANISOU 287 N GLU B 201 400 576 608 32 41 -29 N
ATOM 288 CA GLU B 201 -14.782 8.198 -4.540 1.00 4.06 C
ANISOU 288 CA GLU B 201 415 565 563 -8 27 -33 C
ATOM 289 C GLU B 201 -13.946 7.216 -5.327 1.00 3.81 C
ANISOU 289 C GLU B 201 406 517 526 -25 17 -41 C
ATOM 290 O GLU B 201 -12.776 7.050 -4.996 1.00 4.63 O
ANISOU 290 O GLU B 201 395 709 656 32 -31 -172 O
ATOM 291 CB AGLU B 201 -15.377 7.560 -3.282 0.78 4.08 C
ANISOU 291 CB AGLU B 201 401 639 511 -86 -9 -39 C
ATOM 292 CB BGLU B 201 -15.631 7.291 -3.527 0.22 5.94 C
ANISOU 292 CB BGLU B 201 435 968 854 90 192 194 C
ATOM 293 CG AGLU B 201 -15.811 8.554 -2.246 0.78 4.15 C
ANISOU 293 CG AGLU B 201 420 736 422 17 -10 -56 C
ATOM 294 CG BGLU B 201 -14.665 7.001 -2.431 0.22 9.51 C
ANISOU 294 CG BGLU B 201 1208 1463 941 107 -119 297 C
ATOM 295 CD AGLU B 201 -14.646 9.342 -1.637 0.78 4.35 C
ANISOU 295 CD AGLU B 201 502 735 415 -23 -45 7 C
ATOM 296 CD BGLU B 201 -13.983 8.262 -1.895 0.22 10.66 C
ANISOU 296 CD BGLU B 201 1038 2121 892 -64 45 -309 C
ATOM 297 OE1AGLU B 201 -13.521 8.820 -1.670 0.78 5.01 O
ANISOU 297 OE1AGLU B 201 396 908 601 30 -82 -221 O
ATOM 298 OE1BGLU B 201 -14.631 9.319 -1.756 0.22 11.29 O
ANISOU 298 OE1BGLU B 201 1418 1916 955 -228 407 -517 O
ATOM 299 OE2AGLU B 201 -14.895 10.446 -1.125 0.78 4.61 O
ANISOU 299 OE2AGLU B 201 669 645 436 -12 14 -37 O
ATOM 300 OE2BGLU B 201 -12.871 8.160 -1.404 0.22 18.60 O
ANISOU 300 OE2BGLU B 201 1770 3117 2182 16 -1011 -347 O
ATOM 301 H GLU B 201 -16.633 8.716 -5.214 1.00 5.00 H
ANISOU 301 H GLU B 201 633 633 633 0 0 0 H
ATOM 302 HA AGLU B 201 -14.154 8.909 -4.223 1.00 4.87 H
ANISOU 302 HA AGLU B 201 617 617 617 0 0 0 H
ATOM 303 1HB AGLU B 201 -16.157 7.009 -3.543 0.78 4.90 H
ANISOU 303 1HB AGLU B 201 621 621 621 0 0 0 H
ATOM 304 1HB BGLU B 201 -16.420 7.782 -3.185 0.22 7.13 H
ANISOU 304 1HB BGLU B 201 903 903 903 0 0 0 H
ATOM 305 2HB AGLU B 201 -14.703 6.956 -2.882 0.78 4.90 H
ANISOU 305 2HB AGLU B 201 621 621 621 0 0 0 H
ATOM 306 2HB BGLU B 201 -15.934 6.457 -3.964 0.22 7.13 H
ANISOU 306 2HB BGLU B 201 903 903 903 0 0 0 H
ATOM 307 1HG AGLU B 201 -16.448 9.190 -2.658 0.78 4.98 H
ANISOU 307 1HG AGLU B 201 631 631 631 0 0 0 H
ATOM 308 1HG BGLU B 201 -15.143 6.552 -1.690 0.22 11.41 H
ANISOU 308 1HG BGLU B 201 1445 1445 1445 0 0 0 H
ATOM 309 2HG AGLU B 201 -16.288 8.075 -1.522 0.78 4.98 H
ANISOU 309 2HG AGLU B 201 631 631 631 0 0 0 H
ATOM 310 2HG BGLU B 201 -13.973 6.378 -2.768 0.22 11.41 H
ANISOU 310 2HG BGLU B 201 1445 1445 1445 0 0 0 H
ATOM 311 N LEU B 202 -14.476 6.537 -6.349 1.00 3.69 N
ANISOU 311 N LEU B 202 347 501 555 -37 -12 -36 N
ATOM 312 CA LEU B 202 -13.590 5.697 -7.140 1.00 3.65 C
ANISOU 312 CA LEU B 202 424 458 503 13 -31 -34 C
ATOM 313 C LEU B 202 -12.504 6.543 -7.788 1.00 3.52 C
ANISOU 313 C LEU B 202 434 420 481 6 -43 -78 C
ATOM 314 O LEU B 202 -11.322 6.209 -7.742 1.00 3.79 O
ANISOU 314 O LEU B 202 404 448 587 30 -4 -36 O
ATOM 315 CB LEU B 202 -14.344 4.888 -8.193 1.00 4.33 C
ANISOU 315 CB LEU B 202 520 492 635 -71 -58 -69 C
ATOM 316 CG LEU B 202 -13.430 4.147 -9.175 1.00 4.84 C
ANISOU 316 CG LEU B 202 660 591 586 -94 0 -96 C
ATOM 317 CD1 LEU B 202 -12.501 3.161 -8.505 1.00 4.82 C
ANISOU 317 CD1 LEU B 202 604 469 760 -14 125 -90 C
ATOM 318 CD2 LEU B 202 -14.274 3.445 -10.224 1.00 6.82 C
ANISOU 318 CD2 LEU B 202 872 966 754 -99 -58 -327 C
ATOM 319 H LEU B 202 -15.334 6.597 -6.538 1.00 4.43 H
ANISOU 319 H LEU B 202 561 561 561 0 0 0 H
ATOM 320 HA LEU B 202 -13.145 5.052 -6.519 1.00 4.38 H
ANISOU 320 HA LEU B 202 555 555 555 0 0 0 H
ATOM 321 1HB LEU B 202 -14.921 4.227 -7.734 1.00 5.20 H
ANISOU 321 1HB LEU B 202 659 659 659 0 0 0 H
ATOM 322 2HB LEU B 202 -14.933 5.498 -8.703 1.00 5.20 H
ANISOU 322 2HB LEU B 202 659 659 659 0 0 0 H
ATOM 323 HG LEU B 202 -12.867 4.829 -9.643 1.00 5.80 H
ANISOU 323 HG LEU B 202 735 735 735 0 0 0 H
ATOM 324 1HD1 LEU B 202 -11.964 3.625 -7.829 1.00 7.24 H
ANISOU 324 1HD1 LEU B 202 917 917 917 0 0 0 H
ATOM 325 2HD1 LEU B 202 -13.028 2.455 -8.076 1.00 7.24 H
ANISOU 325 2HD1 LEU B 202 917 917 917 0 0 0 H
ATOM 326 3HD1 LEU B 202 -11.907 2.763 -9.176 1.00 7.24 H
ANISOU 326 3HD1 LEU B 202 917 917 917 0 0 0 H
ATOM 327 1HD2 LEU B 202 -14.873 4.094 -10.649 1.00 10.24 H
ANISOU 327 1HD2 LEU B 202 1297 1297 1297 0 0 0 H
ATOM 328 2HD2 LEU B 202 -13.688 3.048 -10.902 1.00 10.24 H
ANISOU 328 2HD2 LEU B 202 1297 1297 1297 0 0 0 H
ATOM 329 3HD2 LEU B 202 -14.805 2.740 -9.798 1.00 10.24 H
ANISOU 329 3HD2 LEU B 202 1297 1297 1297 0 0 0 H
ATOM 330 N LEU B 203 -12.890 7.658 -8.411 1.00 3.51 N
ANISOU 330 N LEU B 203 374 464 495 8 -32 -9 N
ATOM 331 CA LEU B 203 -11.913 8.528 -9.018 1.00 3.53 C
ANISOU 331 CA LEU B 203 411 463 468 8 15 6 C
ATOM 332 C LEU B 203 -10.870 8.983 -7.986 1.00 3.49 C
ANISOU 332 C LEU B 203 410 431 487 28 -14 4 C
ATOM 333 O LEU B 203 -9.678 8.952 -8.252 1.00 3.85 O
ANISOU 333 O LEU B 203 413 520 531 18 14 -13 O
ATOM 334 CB ALEU B 203 -12.654 9.712 -9.667 0.93 4.04 C
ANISOU 334 CB ALEU B 203 503 535 496 66 -9 6 C
ATOM 335 CB BLEU B 203 -12.523 9.764 -9.637 0.07 4.34 C
ANISOU 335 CB BLEU B 203 561 548 538 91 -43 54 C
ATOM 336 CG ALEU B 203 -11.771 10.721 -10.355 0.93 4.02 C
ANISOU 336 CG ALEU B 203 455 507 565 16 -9 35 C
ATOM 337 CG BLEU B 203 -12.799 9.714 -11.109 0.07 4.58 C
ANISOU 337 CG BLEU B 203 783 385 573 -24 -79 133 C
ATOM 338 CD1ALEU B 203 -10.872 10.105 -11.383 0.93 5.00 C
ANISOU 338 CD1ALEU B 203 629 636 635 58 167 113 C
ATOM 339 CD1BLEU B 203 -13.419 11.033 -11.548 0.07 7.14 C
ANISOU 339 CD1BLEU B 203 1329 555 829 396 -580 -131 C
ATOM 340 CD2ALEU B 203 -12.637 11.813 -10.984 0.93 4.91 C
ANISOU 340 CD2ALEU B 203 615 603 648 115 16 88 C
ATOM 341 CD2BLEU B 203 -11.662 9.315 -11.988 0.07 4.91 C
ANISOU 341 CD2BLEU B 203 855 633 379 112 -101 190 C
ATOM 342 H LEU B 203 -13.745 7.863 -8.452 1.00 4.21 H
ANISOU 342 H LEU B 203 533 533 533 0 0 0 H
ATOM 343 HA ALEU B 203 -11.442 8.019 -9.738 1.00 4.24 H
ANISOU 343 HA ALEU B 203 537 537 537 0 0 0 H
ATOM 344 1HB ALEU B 203 -13.297 9.354 -10.330 0.93 4.84 H
ANISOU 344 1HB ALEU B 203 613 613 613 0 0 0 H
ATOM 345 1HB BLEU B 203 -13.375 9.953 -9.170 0.07 5.20 H
ANISOU 345 1HB BLEU B 203 659 659 659 0 0 0 H
ATOM 346 2HB ALEU B 203 -13.176 10.177 -8.967 0.93 4.84 H
ANISOU 346 2HB ALEU B 203 613 613 613 0 0 0 H
ATOM 347 2HB BLEU B 203 -11.916 10.526 -9.463 0.07 5.20 H
ANISOU 347 2HB BLEU B 203 659 659 659 0 0 0 H
ATOM 348 HG ALEU B 203 -11.194 11.149 -9.659 0.93 4.82 H
ANISOU 348 HG ALEU B 203 610 610 610 0 0 0 H
ATOM 349 HG BLEU B 203 -13.506 9.019 -11.236 0.07 5.50 H
ANISOU 349 HG BLEU B 203 697 697 697 0 0 0 H
ATOM 350 1HD1ALEU B 203 -11.415 9.663 -12.069 0.93 7.50 H
ANISOU 350 1HD1ALEU B 203 950 950 950 0 0 0 H
ATOM 351 1HD1BLEU B 203 -14.186 11.240 -10.974 0.07 10.71 H
ANISOU 351 1HD1BLEU B 203 1356 1356 1356 0 0 0 H
ATOM 352 2HD1ALEU B 203 -10.325 10.803 -11.800 0.93 7.50 H
ANISOU 352 2HD1ALEU B 203 950 950 950 0 0 0 H
ATOM 353 2HD1BLEU B 203 -12.753 11.748 -11.474 0.07 10.71 H
ANISOU 353 2HD1BLEU B 203 1356 1356 1356 0 0 0 H
ATOM 354 3HD1ALEU B 203 -10.288 9.445 -10.954 0.93 7.50 H
ANISOU 354 3HD1ALEU B 203 950 950 950 0 0 0 H
ATOM 355 3HD1BLEU B 203 -13.718 10.960 -12.479 0.07 10.71 H
ANISOU 355 3HD1BLEU B 203 1356 1356 1356 0 0 0 H
ATOM 356 1HD2ALEU B 203 -13.217 12.206 -10.299 0.93 7.36 H
ANISOU 356 1HD2ALEU B 203 932 932 932 0 0 0 H
ATOM 357 1HD2BLEU B 203 -11.283 8.470 -11.668 0.07 7.37 H
ANISOU 357 1HD2BLEU B 203 933 933 933 0 0 0 H
ATOM 358 2HD2ALEU B 203 -12.061 12.509 -11.363 0.93 7.36 H
ANISOU 358 2HD2ALEU B 203 932 932 932 0 0 0 H
ATOM 359 2HD2BLEU B 203 -11.984 9.201 -12.907 0.07 7.37 H
ANISOU 359 2HD2BLEU B 203 933 933 933 0 0 0 H
ATOM 360 3HD2ALEU B 203 -13.189 11.424 -11.695 0.93 7.36 H
ANISOU 360 3HD2ALEU B 203 932 932 932 0 0 0 H
ATOM 361 3HD2BLEU B 203 -10.973 10.011 -11.967 0.07 7.37 H
ANISOU 361 3HD2BLEU B 203 933 933 933 0 0 0 H
ATOM 362 N LYS B 204 -11.339 9.413 -6.808 1.00 3.62 N
ANISOU 362 N LYS B 204 345 506 523 11 11 -38 N
ATOM 363 CA LYS B 204 -10.410 9.808 -5.757 1.00 3.68 C
ANISOU 363 CA LYS B 204 369 529 502 -53 -10 -41 C
ATOM 364 C LYS B 204 -9.455 8.675 -5.393 1.00 3.72 C
ANISOU 364 C LYS B 204 363 599 452 18 48 -79 C
ATOM 365 O LYS B 204 -8.260 8.910 -5.226 1.00 4.33 O
ANISOU 365 O LYS B 204 346 657 641 -7 -22 -106 O
ATOM 366 CB LYS B 204 -11.164 10.269 -4.509 1.00 3.66 C
ANISOU 366 CB LYS B 204 378 468 543 -6 1 -53 C
ATOM 367 CG LYS B 204 -11.891 11.590 -4.704 1.00 3.89 C
ANISOU 367 CG LYS B 204 408 475 596 -34 -17 -28 C
ATOM 368 CD LYS B 204 -12.765 11.971 -3.511 1.00 4.53 C
ANISOU 368 CD LYS B 204 512 593 616 89 -26 -97 C
ATOM 369 CE ALYS B 204 -12.020 12.100 -2.206 0.82 4.79 C
ANISOU 369 CE ALYS B 204 591 667 561 152 -24 -122 C
ATOM 370 CE BLYS B 204 -11.696 12.727 -2.578 0.18 6.94 C
ANISOU 370 CE BLYS B 204 926 798 912 211 -200 -359 C
ATOM 371 NZ ALYS B 204 -12.955 12.374 -1.080 0.82 4.68 N
ANISOU 371 NZ ALYS B 204 611 661 506 130 -42 -79 N
ATOM 372 NZ BLYS B 204 -12.356 13.250 -1.392 0.18 11.29 N
ANISOU 372 NZ BLYS B 204 2497 945 846 -262 313 -351 N
ATOM 373 H LYS B 204 -12.207 9.457 -6.669 1.00 4.34 H
ANISOU 373 H LYS B 204 550 550 550 0 0 0 H
ATOM 374 HA LYS B 204 -9.866 10.577 -6.094 1.00 4.42 H
ANISOU 374 HA LYS B 204 560 560 560 0 0 0 H
ATOM 375 1HB LYS B 204 -11.822 9.574 -4.256 1.00 4.39 H
ANISOU 375 1HB LYS B 204 556 556 556 0 0 0 H
ATOM 376 2HB LYS B 204 -10.522 10.363 -3.762 1.00 4.39 H
ANISOU 376 2HB LYS B 204 556 556 556 0 0 0 H
ATOM 377 1HG LYS B 204 -11.224 12.305 -4.857 1.00 4.67 H
ANISOU 377 1HG LYS B 204 591 591 591 0 0 0 H
ATOM 378 2HG LYS B 204 -12.459 11.528 -5.513 1.00 4.67 H
ANISOU 378 2HG LYS B 204 591 591 591 0 0 0 H
ATOM 379 1HD ALYS B 204 -13.211 12.833 -3.707 1.00 5.44 H
ANISOU 379 1HD ALYS B 204 689 689 689 0 0 0 H
ATOM 380 2HD ALYS B 204 -13.472 11.286 -3.405 1.00 5.44 H
ANISOU 380 2HD ALYS B 204 689 689 689 0 0 0 H
ATOM 381 1HE ALYS B 204 -11.524 11.263 -2.026 0.82 5.75 H
ANISOU 381 1HE ALYS B 204 728 728 728 0 0 0 H
ATOM 382 1HE BLYS B 204 -10.982 12.096 -2.311 0.18 8.33 H
ANISOU 382 1HE BLYS B 204 1055 1055 1055 0 0 0 H
ATOM 383 2HE ALYS B 204 -11.363 12.837 -2.274 0.82 5.75 H
ANISOU 383 2HE ALYS B 204 728 728 728 0 0 0 H
ATOM 384 2HE BLYS B 204 -11.280 13.470 -3.082 0.18 8.33 H
ANISOU 384 2HE BLYS B 204 1055 1055 1055 0 0 0 H
ATOM 385 1HZ ALYS B 204 -13.416 13.140 -1.247 0.82 7.02 H
ANISOU 385 1HZ ALYS B 204 889 889 889 0 0 0 H
ATOM 386 1HZ BLYS B 204 -13.071 13.755 -1.640 0.18 16.93 H
ANISOU 386 1HZ BLYS B 204 2144 2144 2144 0 0 0 H
ATOM 387 2HZ ALYS B 204 -13.539 11.681 -0.995 0.82 7.02 H
ANISOU 387 2HZ ALYS B 204 889 889 889 0 0 0 H
ATOM 388 2HZ BLYS B 204 -12.639 12.559 -0.872 0.18 16.93 H
ANISOU 388 2HZ BLYS B 204 2144 2144 2144 0 0 0 H
ATOM 389 3HZ ALYS B 204 -12.482 12.467 -0.308 0.82 7.02 H
ANISOU 389 3HZ ALYS B 204 889 889 889 0 0 0 H
ATOM 390 3HZ BLYS B 204 -11.771 13.764 -0.921 0.18 16.93 H
ANISOU 390 3HZ BLYS B 204 2144 2144 2144 0 0 0 H
ATOM 391 N LYS B 205 -9.992 7.471 -5.240 1.00 3.73 N
ANISOU 391 N LYS B 205 328 584 505 19 -19 -25 N
ATOM 392 CA LYS B 205 -9.177 6.338 -4.841 1.00 4.05 C
ANISOU 392 CA LYS B 205 447 616 477 72 -29 1 C
ATOM 393 C LYS B 205 -8.142 5.987 -5.888 1.00 3.54 C
ANISOU 393 C LYS B 205 410 430 506 -27 -24 -1 C
ATOM 394 O LYS B 205 -7.028 5.575 -5.553 1.00 4.00 O
ANISOU 394 O LYS B 205 425 546 549 41 -54 24 O
ATOM 395 CB ALYS B 205 -10.048 5.055 -4.707 0.38 5.00 C
ANISOU 395 CB ALYS B 205 652 698 549 -23 -50 69 C
ATOM 396 CB BLYS B 205 -10.133 5.137 -4.573 0.30 5.16 C
ANISOU 396 CB BLYS B 205 727 782 452 -117 90 216 C
ATOM 397 CB CLYS B 205 -10.003 5.212 -4.318 0.32 4.34 C
ANISOU 397 CB CLYS B 205 403 703 542 64 49 43 C
ATOM 398 CG ALYS B 205 -10.634 4.916 -3.383 0.38 6.43 C
ANISOU 398 CG ALYS B 205 852 861 730 -30 185 40 C
ATOM 399 CG BLYS B 205 -9.587 3.906 -4.012 0.30 5.22 C
ANISOU 399 CG BLYS B 205 541 635 806 -6 14 -31 C
ATOM 400 CG CLYS B 205 -10.701 5.562 -3.022 0.32 4.65 C
ANISOU 400 CG CLYS B 205 373 865 529 43 139 124 C
ATOM 401 CD ALYS B 205 -11.528 3.759 -3.181 0.38 8.25 C
ANISOU 401 CD ALYS B 205 1755 696 683 -291 -115 208 C
ATOM 402 CD BLYS B 205 -10.590 2.863 -3.539 0.30 5.22 C
ANISOU 402 CD BLYS B 205 739 511 734 5 119 -18 C
ATOM 403 CD CLYS B 205 -11.749 4.608 -2.606 0.32 8.48 C
ANISOU 403 CD CLYS B 205 1251 1286 683 -423 390 -119 C
ATOM 404 CE ALYS B 205 -12.007 3.611 -1.798 0.38 9.61 C
ANISOU 404 CE ALYS B 205 1561 1217 873 -604 191 33 C
ATOM 405 CE BLYS B 205 -11.186 3.238 -2.191 0.30 6.52 C
ANISOU 405 CE BLYS B 205 747 1110 621 -99 92 -191 C
ATOM 406 CE CLYS B 205 -11.352 3.183 -2.575 0.32 10.44 C
ANISOU 406 CE CLYS B 205 1909 1169 889 -661 182 87 C
ATOM 407 NZ ALYS B 205 -12.632 2.152 -1.756 0.38 13.31 N
ANISOU 407 NZ ALYS B 205 1347 1770 1939 -1065 -57 701 N
ATOM 408 NZ BLYS B 205 -12.496 2.538 -1.940 0.30 8.73 N
ANISOU 408 NZ BLYS B 205 1479 733 1105 -528 632 -560 N
ATOM 409 NZ CLYS B 205 -12.144 2.269 -1.701 0.32 8.83 N
ANISOU 409 NZ CLYS B 205 917 1497 939 -365 -362 545 N
ATOM 410 H LYS B 205 -10.853 7.359 -5.382 1.00 4.48 H
ANISOU 410 H LYS B 205 567 567 567 0 0 0 H
ATOM 411 HA ALYS B 205 -8.726 6.534 -3.971 1.00 4.86 H
ANISOU 411 HA ALYS B 205 616 616 616 0 0 0 H
ATOM 412 1HB ALYS B 205 -10.773 5.085 -5.381 0.38 6.00 H
ANISOU 412 1HB ALYS B 205 760 760 760 0 0 0 H
ATOM 413 1HB BLYS B 205 -10.845 5.453 -3.963 0.30 6.19 H
ANISOU 413 1HB BLYS B 205 784 784 784 0 0 0 H
ATOM 414 1HB CLYS B 205 -10.681 4.965 -4.995 0.32 5.20 H
ANISOU 414 1HB CLYS B 205 659 659 659 0 0 0 H
ATOM 415 2HB ALYS B 205 -9.488 4.262 -4.899 0.38 6.00 H
ANISOU 415 2HB ALYS B 205 760 760 760 0 0 0 H
ATOM 416 2HB BLYS B 205 -10.569 4.905 -5.432 0.30 6.19 H
ANISOU 416 2HB BLYS B 205 784 784 784 0 0 0 H
ATOM 417 2HB CLYS B 205 -9.421 4.425 -4.170 0.32 5.20 H
ANISOU 417 2HB CLYS B 205 659 659 659 0 0 0 H
ATOM 418 1HG ALYS B 205 -9.897 4.857 -2.724 0.38 7.72 H
ANISOU 418 1HG ALYS B 205 978 978 978 0 0 0 H
ATOM 419 1HG BLYS B 205 -9.007 3.487 -4.696 0.30 6.26 H
ANISOU 419 1HG BLYS B 205 793 793 793 0 0 0 H
ATOM 420 1HG CLYS B 205 -10.023 5.619 -2.304 0.32 5.58 H
ANISOU 420 1HG CLYS B 205 707 707 707 0 0 0 H
ATOM 421 2HG ALYS B 205 -11.144 5.741 -3.183 0.38 7.72 H
ANISOU 421 2HG ALYS B 205 978 978 978 0 0 0 H
ATOM 422 2HG BLYS B 205 -9.010 4.148 -3.245 0.30 6.26 H
ANISOU 422 2HG BLYS B 205 793 793 793 0 0 0 H
ATOM 423 2HG CLYS B 205 -11.111 6.458 -3.117 0.32 5.58 H
ANISOU 423 2HG CLYS B 205 707 707 707 0 0 0 H
ATOM 424 1HD ALYS B 205 -12.310 3.852 -3.780 0.38 9.90 H
ANISOU 424 1HD ALYS B 205 1254 1254 1254 0 0 0 H
ATOM 425 1HD BLYS B 205 -11.316 2.780 -4.207 0.30 6.27 H
ANISOU 425 1HD BLYS B 205 794 794 794 0 0 0 H
ATOM 426 1HD CLYS B 205 -12.060 4.863 -1.701 0.32 10.17 H
ANISOU 426 1HD CLYS B 205 1288 1288 1288 0 0 0 H
ATOM 427 2HD ALYS B 205 -11.046 2.935 -3.441 0.38 9.90 H
ANISOU 427 2HD ALYS B 205 1254 1254 1254 0 0 0 H
ATOM 428 2HD BLYS B 205 -10.139 1.985 -3.466 0.30 6.27 H
ANISOU 428 2HD BLYS B 205 794 794 794 0 0 0 H
ATOM 429 2HD CLYS B 205 -12.518 4.703 -3.221 0.32 10.17 H
ANISOU 429 2HD CLYS B 205 1288 1288 1288 0 0 0 H
ATOM 430 1HE ALYS B 205 -11.259 3.694 -1.154 0.38 11.53 H
ANISOU 430 1HE ALYS B 205 1460 1460 1460 0 0 0 H
ATOM 431 1HE BLYS B 205 -10.547 2.999 -1.474 0.30 7.83 H
ANISOU 431 1HE BLYS B 205 992 992 992 0 0 0 H
ATOM 432 1HE CLYS B 205 -11.396 2.834 -3.500 0.32 12.53 H
ANISOU 432 1HE CLYS B 205 1587 1587 1587 0 0 0 H
ATOM 433 2HE ALYS B 205 -12.690 4.295 -1.586 0.38 11.53 H
ANISOU 433 2HE ALYS B 205 1460 1460 1460 0 0 0 H
ATOM 434 2HE BLYS B 205 -11.329 4.217 -2.159 0.30 7.83 H
ANISOU 434 2HE BLYS B 205 992 992 992 0 0 0 H
ATOM 435 2HE CLYS B 205 -10.406 3.135 -2.288 0.32 12.53 H
ANISOU 435 2HE CLYS B 205 1587 1587 1587 0 0 0 H
ATOM 436 1HZ ALYS B 205 -13.294 2.088 -2.377 0.38 19.96 H
ANISOU 436 1HZ ALYS B 205 2528 2528 2528 0 0 0 H
ATOM 437 1HZ BLYS B 205 -13.068 2.710 -2.627 0.30 13.09 H
ANISOU 437 1HZ BLYS B 205 1658 1658 1658 0 0 0 H
ATOM 438 1HZ CLYS B 205 -13.003 2.567 -1.650 0.32 13.24 H
ANISOU 438 1HZ CLYS B 205 1677 1677 1677 0 0 0 H
ATOM 439 2HZ ALYS B 205 -11.984 1.539 -1.938 0.38 19.96 H
ANISOU 439 2HZ ALYS B 205 2528 2528 2528 0 0 0 H
ATOM 440 2HZ BLYS B 205 -12.354 1.642 -1.880 0.30 13.09 H
ANISOU 440 2HZ BLYS B 205 1658 1658 1658 0 0 0 H
ATOM 441 2HZ CLYS B 205 -12.134 1.430 -2.052 0.32 13.24 H
ANISOU 441 2HZ CLYS B 205 1677 1677 1677 0 0 0 H
ATOM 442 3HZ ALYS B 205 -12.975 1.993 -0.928 0.38 19.96 H
ANISOU 442 3HZ ALYS B 205 2528 2528 2528 0 0 0 H
ATOM 443 3HZ BLYS B 205 -12.857 2.841 -1.162 0.30 13.09 H
ANISOU 443 3HZ BLYS B 205 1658 1658 1658 0 0 0 H
ATOM 444 3HZ CLYS B 205 -11.779 2.254 -0.868 0.32 13.24 H
ANISOU 444 3HZ CLYS B 205 1677 1677 1677 0 0 0 H
ATOM 445 N LEU B 206 -8.497 6.098 -7.171 1.00 3.52 N
ANISOU 445 N LEU B 206 379 472 488 19 -21 -39 N
ATOM 446 CA LEU B 206 -7.543 5.820 -8.215 1.00 3.56 C
ANISOU 446 CA LEU B 206 416 440 498 36 -9 -46 C
ATOM 447 C LEU B 206 -6.416 6.862 -8.229 1.00 3.64 C
ANISOU 447 C LEU B 206 412 506 466 2 -3 -24 C
ATOM 448 O LEU B 206 -5.253 6.522 -8.385 1.00 4.07 O
ANISOU 448 O LEU B 206 356 546 645 41 4 -61 O
ATOM 449 CB LEU B 206 -8.238 5.756 -9.573 1.00 3.89 C
ANISOU 449 CB LEU B 206 434 548 497 -4 -20 -35 C
ATOM 450 CG LEU B 206 -9.256 4.642 -9.714 1.00 3.99 C
ANISOU 450 CG LEU B 206 503 489 523 -10 -15 -68 C
ATOM 451 CD1 LEU B 206 -9.985 4.784 -11.042 1.00 4.77 C
ANISOU 451 CD1 LEU B 206 577 642 592 -17 -83 -100 C
ATOM 452 CD2 LEU B 206 -8.615 3.267 -9.606 1.00 5.69 C
ANISOU 452 CD2 LEU B 206 791 507 863 49 -181 -131 C
ATOM 453 H LEU B 206 -9.317 6.342 -7.380 1.00 4.23 H
ANISOU 453 H LEU B 206 536 536 536 0 0 0 H
ATOM 454 HA LEU B 206 -7.135 4.925 -8.033 1.00 4.27 H
ANISOU 454 HA LEU B 206 541 541 541 0 0 0 H
ATOM 455 1HB LEU B 206 -8.693 6.620 -9.735 1.00 4.67 H
ANISOU 455 1HB LEU B 206 591 591 591 0 0 0 H
ATOM 456 2HB LEU B 206 -7.549 5.644 -10.275 1.00 4.67 H
ANISOU 456 2HB LEU B 206 591 591 591 0 0 0 H
ATOM 457 HG LEU B 206 -9.926 4.734 -8.977 1.00 4.78 H
ANISOU 457 HG LEU B 206 605 605 605 0 0 0 H
ATOM 458 1HD1 LEU B 206 -9.338 4.732 -11.777 1.00 7.15 H
ANISOU 458 1HD1 LEU B 206 906 906 906 0 0 0 H
ATOM 459 2HD1 LEU B 206 -10.641 4.063 -11.134 1.00 7.15 H
ANISOU 459 2HD1 LEU B 206 906 906 906 0 0 0 H
ATOM 460 3HD1 LEU B 206 -10.444 5.650 -11.072 1.00 7.15 H
ANISOU 460 3HD1 LEU B 206 906 906 906 0 0 0 H
ATOM 461 1HD2 LEU B 206 -8.154 3.188 -8.744 1.00 8.53 H
ANISOU 461 1HD2 LEU B 206 1080 1080 1080 0 0 0 H
ATOM 462 2HD2 LEU B 206 -9.308 2.577 -9.670 1.00 8.53 H
ANISOU 462 2HD2 LEU B 206 1080 1080 1080 0 0 0 H
ATOM 463 3HD2 LEU B 206 -7.969 3.149 -10.333 1.00 8.53 H
ANISOU 463 3HD2 LEU B 206 1080 1080 1080 0 0 0 H
ATOM 464 N LEU B 207 -6.789 8.128 -8.076 1.00 3.63 N
ANISOU 464 N LEU B 207 372 461 548 10 -25 -11 N
ATOM 465 CA LEU B 207 -5.796 9.177 -7.984 1.00 3.64 C
ANISOU 465 CA LEU B 207 427 468 489 -14 -35 -1 C
ATOM 466 C LEU B 207 -4.880 8.960 -6.787 1.00 3.44 C
ANISOU 466 C LEU B 207 341 466 502 20 -2 -19 C
ATOM 467 O LEU B 207 -3.671 9.137 -6.869 1.00 4.13 O
ANISOU 467 O LEU B 207 386 609 574 -4 -16 33 O
ATOM 468 CB LEU B 207 -6.483 10.541 -7.933 1.00 3.85 C
ANISOU 468 CB LEU B 207 453 452 560 -32 -68 7 C
ATOM 469 CG LEU B 207 -7.204 10.919 -9.227 1.00 4.19 C
ANISOU 469 CG LEU B 207 501 501 589 -34 -76 56 C
ATOM 470 CD1 LEU B 207 -8.206 12.034 -8.947 1.00 4.95 C
ANISOU 470 CD1 LEU B 207 635 478 769 22 -137 70 C
ATOM 471 CD2 LEU B 207 -6.234 11.325 -10.323 1.00 5.56 C
ANISOU 471 CD2 LEU B 207 677 773 662 -39 19 185 C
ATOM 472 H LEU B 207 -7.644 8.330 -8.029 1.00 4.36 H
ANISOU 472 H LEU B 207 552 552 552 0 0 0 H
ATOM 473 HA LEU B 207 -5.236 9.145 -8.812 1.00 4.37 H
ANISOU 473 HA LEU B 207 553 553 553 0 0 0 H
ATOM 474 1HB LEU B 207 -7.139 10.540 -7.192 1.00 4.62 H
ANISOU 474 1HB LEU B 207 585 585 585 0 0 0 H
ATOM 475 2HB LEU B 207 -5.804 11.233 -7.733 1.00 4.62 H
ANISOU 475 2HB LEU B 207 585 585 585 0 0 0 H
ATOM 476 HG LEU B 207 -7.712 10.118 -9.544 1.00 5.03 H
ANISOU 476 HG LEU B 207 637 637 637 0 0 0 H
ATOM 477 1HD1 LEU B 207 -8.821 11.750 -8.239 1.00 7.43 H
ANISOU 477 1HD1 LEU B 207 941 941 941 0 0 0 H
ATOM 478 2HD1 LEU B 207 -7.727 12.839 -8.661 1.00 7.43 H
ANISOU 478 2HD1 LEU B 207 941 941 941 0 0 0 H
ATOM 479 3HD1 LEU B 207 -8.715 12.228 -9.762 1.00 7.43 H
ANISOU 479 3HD1 LEU B 207 941 941 941 0 0 0 H
ATOM 480 1HD2 LEU B 207 -5.599 10.596 -10.484 1.00 8.34 H
ANISOU 480 1HD2 LEU B 207 1056 1056 1056 0 0 0 H
ATOM 481 2HD2 LEU B 207 -6.732 11.513 -11.146 1.00 8.34 H
ANISOU 481 2HD2 LEU B 207 1056 1056 1056 0 0 0 H
ATOM 482 3HD2 LEU B 207 -5.746 12.129 -10.046 1.00 8.34 H
ANISOU 482 3HD2 LEU B 207 1056 1056 1056 0 0 0 H
ATOM 483 N GLU B 208 -5.471 8.562 -5.649 1.00 3.56 N
ANISOU 483 N GLU B 208 346 519 489 3 -21 5 N
ATOM 484 CA GLU B 208 -4.679 8.297 -4.464 1.00 3.64 C
ANISOU 484 CA GLU B 208 390 487 505 20 -34 19 C
ATOM 485 C GLU B 208 -3.744 7.108 -4.681 1.00 3.67 C
ANISOU 485 C GLU B 208 386 512 496 25 8 9 C
ATOM 486 O GLU B 208 -2.601 7.130 -4.207 1.00 4.15 O
ANISOU 486 O GLU B 208 345 617 615 45 -42 -36 O
ATOM 487 CB AGLU B 208 -5.593 8.134 -3.249 0.61 3.71 C
ANISOU 487 CB AGLU B 208 370 533 506 -15 -60 -34 C
ATOM 488 CB BGLU B 208 -5.670 7.928 -3.315 0.39 4.01 C
ANISOU 488 CB BGLU B 208 450 526 548 145 55 -14 C
ATOM 489 CG AGLU B 208 -4.869 7.845 -1.950 0.61 4.35 C
ANISOU 489 CG AGLU B 208 431 707 516 56 -42 110 C
ATOM 490 CG BGLU B 208 -4.866 7.766 -2.016 0.39 4.91 C
ANISOU 490 CG BGLU B 208 569 820 475 109 161 -95 C
ATOM 491 CD AGLU B 208 -5.719 7.826 -0.704 0.61 5.17 C
ANISOU 491 CD AGLU B 208 577 822 565 168 7 50 C
ATOM 492 CD BGLU B 208 -5.764 7.284 -0.895 0.39 4.53 C
ANISOU 492 CD BGLU B 208 631 533 559 176 141 -9 C
ATOM 493 OE1AGLU B 208 -6.885 8.169 -0.757 0.61 7.47 O
ANISOU 493 OE1AGLU B 208 492 1756 590 287 43 0 O
ATOM 494 OE1BGLU B 208 -6.881 6.828 -1.155 0.39 7.35 O
ANISOU 494 OE1BGLU B 208 557 1569 669 39 75 306 O
ATOM 495 OE2AGLU B 208 -5.168 7.324 0.338 0.61 6.44 O
ANISOU 495 OE2AGLU B 208 639 1251 556 187 -17 211 O
ATOM 496 OE2BGLU B 208 -5.326 7.525 0.292 0.39 6.97 O
ANISOU 496 OE2BGLU B 208 1216 873 557 -469 362 -254 O
ATOM 497 H GLU B 208 -6.345 8.461 -5.622 1.00 4.28 H
ANISOU 497 H GLU B 208 542 542 542 0 0 0 H
ATOM 498 HA AGLU B 208 -4.107 9.101 -4.301 1.00 4.37 H
ANISOU 498 HA AGLU B 208 553 553 553 0 0 0 H
ATOM 499 1HB AGLU B 208 -6.122 8.964 -3.138 0.61 4.45 H
ANISOU 499 1HB AGLU B 208 564 564 564 0 0 0 H
ATOM 500 1HB BGLU B 208 -6.346 8.643 -3.208 0.39 4.81 H
ANISOU 500 1HB BGLU B 208 609 609 609 0 0 0 H
ATOM 501 2HB AGLU B 208 -6.229 7.396 -3.428 0.61 4.45 H
ANISOU 501 2HB AGLU B 208 564 564 564 0 0 0 H
ATOM 502 2HB BGLU B 208 -6.139 7.084 -3.531 0.39 4.81 H
ANISOU 502 2HB BGLU B 208 609 609 609 0 0 0 H
ATOM 503 1HG AGLU B 208 -4.421 6.966 -2.034 0.61 5.22 H
ANISOU 503 1HG AGLU B 208 661 661 661 0 0 0 H
ATOM 504 1HG BGLU B 208 -4.134 7.115 -2.158 0.39 5.89 H
ANISOU 504 1HG BGLU B 208 746 746 746 0 0 0 H
ATOM 505 2HG AGLU B 208 -4.161 8.527 -1.832 0.61 5.22 H
ANISOU 505 2HG AGLU B 208 661 661 661 0 0 0 H
ATOM 506 2HG BGLU B 208 -4.462 8.635 -1.766 0.39 5.89 H
ANISOU 506 2HG BGLU B 208 746 746 746 0 0 0 H
ATOM 507 N GLU B 209 -4.198 6.081 -5.375 1.00 3.90 N
ANISOU 507 N GLU B 209 401 497 582 50 -20 5 N
ATOM 508 CA GLU B 209 -3.334 4.926 -5.645 1.00 4.02 C
ANISOU 508 CA GLU B 209 412 482 634 59 -5 23 C
ATOM 509 C GLU B 209 -2.149 5.345 -6.498 1.00 4.22 C
ANISOU 509 C GLU B 209 449 509 644 59 5 -47 C
ATOM 510 O GLU B 209 -1.019 4.924 -6.241 1.00 5.21 O
ANISOU 510 O GLU B 209 451 709 821 122 36 119 O
ATOM 511 CB GLU B 209 -4.162 3.800 -6.285 1.00 4.58 C
ANISOU 511 CB GLU B 209 521 516 701 7 -13 -35 C
ATOM 512 CG GLU B 209 -3.347 2.599 -6.697 1.00 5.42 C
ANISOU 512 CG GLU B 209 678 586 796 19 42 -118 C
ATOM 513 CD GLU B 209 -2.605 1.851 -5.650 1.00 5.85 C
ANISOU 513 CD GLU B 209 767 514 943 1 43 -58 C
ATOM 514 OE1 GLU B 209 -2.956 2.023 -4.459 1.00 7.21 O
ANISOU 514 OE1 GLU B 209 1153 708 877 152 31 95 O
ATOM 515 OE2 GLU B 209 -1.688 1.091 -6.000 1.00 7.79 O
ANISOU 515 OE2 GLU B 209 829 674 1457 211 21 -78 O
ATOM 516 H GLU B 209 -5.024 6.089 -5.677 1.00 4.67 H
ANISOU 516 H GLU B 209 591 591 591 0 0 0 H
ATOM 517 HA GLU B 209 -2.982 4.592 -4.771 1.00 4.83 H
ANISOU 517 HA GLU B 209 612 612 612 0 0 0 H
ATOM 518 1HB GLU B 209 -4.855 3.509 -5.641 1.00 5.49 H
ANISOU 518 1HB GLU B 209 695 695 695 0 0 0 H
ATOM 519 2HB GLU B 209 -4.625 4.159 -7.083 1.00 5.49 H
ANISOU 519 2HB GLU B 209 695 695 695 0 0 0 H
ATOM 520 1HG GLU B 209 -3.958 1.961 -7.146 1.00 6.51 H
ANISOU 520 1HG GLU B 209 825 825 825 0 0 0 H
ATOM 521 2HG GLU B 209 -2.691 2.899 -7.375 1.00 6.51 H
ANISOU 521 2HG GLU B 209 825 825 825 0 0 0 H
ATOM 522 N LEU B 210 -2.381 6.149 -7.532 1.00 4.02 N
ANISOU 522 N LEU B 210 414 559 554 46 22 -14 N
ATOM 523 CA LEU B 210 -1.283 6.626 -8.355 1.00 4.26 C
ANISOU 523 CA LEU B 210 452 618 549 76 35 -72 C
ATOM 524 C LEU B 210 -0.338 7.527 -7.590 1.00 4.21 C
ANISOU 524 C LEU B 210 414 667 517 91 2 -13 C
ATOM 525 O LEU B 210 0.856 7.563 -7.877 1.00 5.46 O
ANISOU 525 O LEU B 210 384 995 697 106 52 -93 O
ATOM 526 CB ALEU B 210 -1.847 7.404 -9.573 0.72 4.41 C
ANISOU 526 CB ALEU B 210 603 582 491 1 -54 -42 C
ATOM 527 CB BLEU B 210 -1.759 7.196 -9.643 0.28 4.23 C
ANISOU 527 CB BLEU B 210 407 671 528 103 71 -168 C
ATOM 528 CG ALEU B 210 -2.502 6.525 -10.630 0.72 5.79 C
ANISOU 528 CG ALEU B 210 818 738 642 -176 -102 -88 C
ATOM 529 CG BLEU B 210 -2.585 6.279 -10.557 0.28 5.72 C
ANISOU 529 CG BLEU B 210 490 1037 646 69 -71 -332 C
ATOM 530 CD1ALEU B 210 -3.257 7.411 -11.622 0.72 8.04 C
ANISOU 530 CD1ALEU B 210 820 1369 864 207 -378 -200 C
ATOM 531 CD1BLEU B 210 -2.798 7.060 -11.873 0.28 7.48 C
ANISOU 531 CD1BLEU B 210 1006 935 900 -9 -325 -144 C
ATOM 532 CD2ALEU B 210 -1.501 5.678 -11.360 0.72 7.95 C
ANISOU 532 CD2ALEU B 210 1169 986 867 253 -318 -428 C
ATOM 533 CD2BLEU B 210 -1.814 4.984 -10.868 0.28 6.61 C
ANISOU 533 CD2BLEU B 210 1082 630 800 -121 11 -181 C
ATOM 534 H LEU B 210 -3.205 6.393 -7.719 1.00 4.82 H
ANISOU 534 H LEU B 210 610 610 610 0 0 0 H
ATOM 535 HA ALEU B 210 -0.769 5.837 -8.691 1.00 5.11 H
ANISOU 535 HA ALEU B 210 647 647 647 0 0 0 H
ATOM 536 1HB ALEU B 210 -2.513 8.061 -9.249 0.72 5.29 H
ANISOU 536 1HB ALEU B 210 670 670 670 0 0 0 H
ATOM 537 1HB BLEU B 210 -2.305 7.996 -9.440 0.28 5.07 H
ANISOU 537 1HB BLEU B 210 642 642 642 0 0 0 H
ATOM 538 2HB ALEU B 210 -1.108 7.911 -9.995 0.72 5.29 H
ANISOU 538 2HB ALEU B 210 670 670 670 0 0 0 H
ATOM 539 2HB BLEU B 210 -0.968 7.503 -10.153 0.28 5.07 H
ANISOU 539 2HB BLEU B 210 642 642 642 0 0 0 H
ATOM 540 HG ALEU B 210 -3.160 5.922 -10.178 0.72 6.94 H
ANISOU 540 HG ALEU B 210 879 879 879 0 0 0 H
ATOM 541 HG BLEU B 210 -3.465 6.066 -10.133 0.28 6.86 H
ANISOU 541 HG BLEU B 210 869 869 869 0 0 0 H
ATOM 542 1HD1ALEU B 210 -3.898 7.972 -11.137 0.72 12.05 H
ANISOU 542 1HD1ALEU B 210 1526 1526 1526 0 0 0 H
ATOM 543 1HD1BLEU B 210 -1.929 7.269 -12.274 0.28 11.21 H
ANISOU 543 1HD1BLEU B 210 1420 1420 1420 0 0 0 H
ATOM 544 2HD1ALEU B 210 -2.620 7.982 -12.101 0.72 12.05 H
ANISOU 544 2HD1ALEU B 210 1526 1526 1526 0 0 0 H
ATOM 545 2HD1BLEU B 210 -3.323 6.515 -12.496 0.28 11.21 H
ANISOU 545 2HD1BLEU B 210 1420 1420 1420 0 0 0 H
ATOM 546 3HD1ALEU B 210 -3.737 6.847 -12.264 0.72 12.05 H
ANISOU 546 3HD1ALEU B 210 1526 1526 1526 0 0 0 H
ATOM 547 3HD1BLEU B 210 -3.279 7.893 -11.684 0.28 11.21 H
ANISOU 547 3HD1BLEU B 210 1420 1420 1420 0 0 0 H
ATOM 548 1HD2ALEU B 210 -1.035 5.100 -10.721 0.72 11.93 H
ANISOU 548 1HD2ALEU B 210 1511 1511 1511 0 0 0 H
ATOM 549 1HD2BLEU B 210 -0.970 5.206 -11.313 0.28 9.91 H
ANISOU 549 1HD2BLEU B 210 1255 1255 1255 0 0 0 H
ATOM 550 2HD2ALEU B 210 -1.964 5.125 -12.024 0.72 11.93 H
ANISOU 550 2HD2ALEU B 210 1511 1511 1511 0 0 0 H
ATOM 551 2HD2BLEU B 210 -1.628 4.507 -10.032 0.28 9.91 H
ANISOU 551 2HD2BLEU B 210 1255 1255 1255 0 0 0 H
ATOM 552 3HD2ALEU B 210 -0.851 6.256 -11.812 0.72 11.93 H
ANISOU 552 3HD2ALEU B 210 1511 1511 1511 0 0 0 H
ATOM 553 3HD2BLEU B 210 -2.354 4.415 -11.455 0.28 9.91 H
ANISOU 553 3HD2BLEU B 210 1255 1255 1255 0 0 0 H
ATOM 554 N LYS B 211 -0.868 8.293 -6.643 1.00 4.24 N
ANISOU 554 N LYS B 211 386 727 499 -18 18 -76 N
ATOM 555 CA LYS B 211 -0.046 9.197 -5.855 1.00 4.57 C
ANISOU 555 CA LYS B 211 423 821 492 -107 24 -83 C
ATOM 556 C LYS B 211 0.881 8.451 -4.913 1.00 5.01 C
ANISOU 556 C LYS B 211 411 957 536 -12 40 -109 C
ATOM 557 O LYS B 211 2.001 8.899 -4.655 1.00 5.84 O
ANISOU 557 O LYS B 211 389 1109 723 -42 -26 -175 O
ATOM 558 CB LYS B 211 -0.964 10.149 -5.110 1.00 4.59 C
ANISOU 558 CB LYS B 211 447 740 559 -98 44 -58 C
ATOM 559 CG LYS B 211 -0.230 11.156 -4.234 1.00 5.50 C
ANISOU 559 CG LYS B 211 628 863 600 -175 99 -129 C
ATOM 560 CD LYS B 211 -1.092 12.291 -3.760 1.00 6.07 C
ANISOU 560 CD LYS B 211 926 779 600 -130 168 -83 C
ATOM 561 CE ALYS B 211 -2.429 11.937 -3.172 0.49 5.32 C
ANISOU 561 CE ALYS B 211 722 766 535 89 -45 76 C
ATOM 562 CE BLYS B 211 -2.188 11.822 -2.785 0.51 7.03 C
ANISOU 562 CE BLYS B 211 1005 847 820 -218 324 -267 C
ATOM 563 NZ ALYS B 211 -2.240 11.233 -1.855 0.49 4.31 N
ANISOU 563 NZ ALYS B 211 324 834 478 59 68 -5 N
ATOM 564 NZ BLYS B 211 -1.571 11.329 -1.519 0.51 8.22 N
ANISOU 564 NZ BLYS B 211 1344 834 947 60 534 51 N
ATOM 565 H LYS B 211 -1.733 8.253 -6.490 1.00 5.09 H
ANISOU 565 H LYS B 211 645 645 645 0 0 0 H
ATOM 566 HA LYS B 211 0.515 9.735 -6.484 1.00 5.48 H
ANISOU 566 HA LYS B 211 694 694 694 0 0 0 H
ATOM 567 1HB LYS B 211 -1.515 10.642 -5.768 1.00 5.51 H
ANISOU 567 1HB LYS B 211 698 698 698 0 0 0 H
ATOM 568 2HB LYS B 211 -1.578 9.620 -4.541 1.00 5.51 H
ANISOU 568 2HB LYS B 211 698 698 698 0 0 0 H
ATOM 569 1HG LYS B 211 0.137 10.684 -3.445 1.00 6.60 H
ANISOU 569 1HG LYS B 211 836 836 836 0 0 0 H
ATOM 570 2HG LYS B 211 0.532 11.527 -4.745 1.00 6.60 H
ANISOU 570 2HG LYS B 211 836 836 836 0 0 0 H
ATOM 571 1HD ALYS B 211 -0.583 12.798 -3.080 1.00 7.28 H
ANISOU 571 1HD ALYS B 211 922 922 922 0 0 0 H
ATOM 572 2HD ALYS B 211 -1.246 12.899 -4.526 1.00 7.28 H
ANISOU 572 2HD ALYS B 211 922 922 922 0 0 0 H
ATOM 573 1HE ALYS B 211 -2.962 12.761 -3.036 0.49 6.39 H
ANISOU 573 1HE ALYS B 211 809 809 809 0 0 0 H
ATOM 574 1HE BLYS B 211 -2.800 12.575 -2.586 0.51 8.44 H
ANISOU 574 1HE BLYS B 211 1069 1069 1069 0 0 0 H
ATOM 575 2HE ALYS B 211 -2.923 11.349 -3.796 0.49 6.39 H
ANISOU 575 2HE ALYS B 211 809 809 809 0 0 0 H
ATOM 576 2HE BLYS B 211 -2.717 11.097 -3.202 0.51 8.44 H
ANISOU 576 2HE BLYS B 211 1069 1069 1069 0 0 0 H
ATOM 577 1HZ ALYS B 211 -1.758 10.473 -1.983 0.49 6.46 H
ANISOU 577 1HZ ALYS B 211 818 818 818 0 0 0 H
ATOM 578 1HZ BLYS B 211 -1.093 12.001 -1.133 0.51 12.34 H
ANISOU 578 1HZ BLYS B 211 1563 1563 1563 0 0 0 H
ATOM 579 2HZ ALYS B 211 -1.797 11.781 -1.279 0.49 6.46 H
ANISOU 579 2HZ ALYS B 211 818 818 818 0 0 0 H
ATOM 580 2HZ BLYS B 211 -2.226 11.056 -0.949 0.51 12.34 H
ANISOU 580 2HZ BLYS B 211 1563 1563 1563 0 0 0 H
ATOM 581 3HZ ALYS B 211 -3.053 11.021 -1.505 0.49 6.46 H
ANISOU 581 3HZ ALYS B 211 818 818 818 0 0 0 H
ATOM 582 3HZ BLYS B 211 -1.018 10.631 -1.703 0.51 12.34 H
ANISOU 582 3HZ BLYS B 211 1563 1563 1563 0 0 0 H
ATOM 583 N GLY B 212 0.413 7.334 -4.387 1.00 5.66 N
ANISOU 583 N GLY B 212 506 1017 628 -26 -140 -33 N
ATOM 584 CA GLY B 212 1.218 6.471 -3.580 1.00 6.92 C
ANISOU 584 CA GLY B 212 917 1045 667 24 -199 -77 C
ATOM 585 C GLY B 212 1.513 6.917 -2.169 1.00 6.66 C
ANISOU 585 C GLY B 212 666 1302 562 129 -74 -80 C
ATOM 586 O GLY B 212 0.963 7.926 -1.725 1.00 7.90 O
ANISOU 586 O GLY B 212 769 1585 650 356 -122 -321 O
ATOM 587 OXT GLY B 212 2.321 6.189 -1.546 1.00 8.22 O
ANISOU 587 OXT GLY B 212 963 1542 619 378 -145 -98 O
ATOM 588 H GLY B 212 -0.425 7.112 -4.540 1.00 6.79 H
ANISOU 588 H GLY B 212 860 860 860 0 0 0 H
ATOM 589 1HA GLY B 212 0.770 5.589 -3.534 1.00 8.31 H
ANISOU 589 1HA GLY B 212 1052 1052 1052 0 0 0 H
ATOM 590 2HA GLY B 212 2.082 6.336 -4.044 1.00 8.31 H
ANISOU 590 2HA GLY B 212 1052 1052 1052 0 0 0 H
TER 591 GLY B 212
HETATM 592 O HOH 301 -1.528 8.531 -2.040 1.00 6.03 O
ANISOU 592 O HOH 301 701 998 593 53 59 -83 O
HETATM 593 O HOH 302 -15.746 7.897 -9.209 1.00 6.14 O
ANISOU 593 O HOH 302 694 759 878 52 -150 4 O
HETATM 594 O HOH 303 -21.897 -0.824 -7.993 1.00 6.11 O
ANISOU 594 O HOH 303 626 772 924 26 -77 165 O
HETATM 595 O HOH 304 3.298 6.567 -7.160 1.00 6.28 O
ANISOU 595 O HOH 304 490 903 992 18 -133 -14 O
HETATM 596 O HOH 305 -17.062 -3.048 -1.821 1.00 7.41 O
ANISOU 596 O HOH 305 882 1193 739 76 -19 212 O
HETATM 597 O HOH 306 -5.518 4.708 1.054 0.70 7.47 O
ANISOU 597 O HOH 306 920 943 976 197 117 74 O
HETATM 598 O HOH 307 -12.902 1.967 0.969 1.00 12.02 O
ANISOU 598 O HOH 307 1303 1920 1344 279 -41 106 O
HETATM 599 O HOH 308 -7.517 3.828 -0.612 1.00 14.32 O
ANISOU 599 O HOH 308 1571 1537 2332 57 124 105 O
HETATM 600 O AHOH 309 -0.336 12.491 -0.267 0.49 11.47 O
ANISOU 600 O AHOH 309 2317 1368 672 -758 -287 -65 O
HETATM 601 O BHOH 309 -0.120 13.359 -0.433 0.51 13.03 O
ANISOU 601 O BHOH 309 1723 1899 1331 79 -298 -689 O
HETATM 602 O AHOH 310 -8.960 0.687 -1.064 0.45 8.39 O
ANISOU 602 O AHOH 310 927 1467 794 -115 -148 149 O
HETATM 603 O CHOH 310 -10.034 0.829 -1.374 0.24 9.77 O
ANISOU 603 O CHOH 310 697 1912 1102 -71 216 174 O
HETATM 604 O HOH 311 -6.415 4.648 -3.001 1.00 8.99 O
ANISOU 604 O HOH 311 1792 915 710 224 -43 123 O
HETATM 605 O AHOH 312 -11.293 8.771 -0.290 0.78 7.71 O
ANISOU 605 O AHOH 312 749 1299 881 161 -75 -183 O
HETATM 606 O BHOH 312 -11.035 9.644 -0.840 0.22 5.20 O
ANISOU 606 O BHOH 312 769 632 574 -138 -20 -4 O
HETATM 607 O AHOH 313 -22.373 1.221 -2.118 0.44 15.98 O
ANISOU 607 O AHOH 313 2793 1698 1581 456 -468 -167 O
HETATM 608 O BHOH 313 -21.512 1.474 -2.702 0.56 6.74 O
ANISOU 608 O BHOH 313 1010 756 795 -30 56 -9 O
HETATM 609 O AHOH 316 -9.357 7.878 -1.764 0.61 11.85 O
ANISOU 609 O AHOH 316 1097 2315 1092 -22 -157 -500 O
HETATM 610 O BHOH 316 -8.890 8.684 -1.693 0.39 7.83 O
ANISOU 610 O BHOH 316 1033 820 1122 -179 205 -59 O
HETATM 611 O AHOH 318 -11.832 6.725 -2.165 0.21 6.19 O
ANISOU 611 O AHOH 318 870 984 497 -208 -38 -211 O
HETATM 612 O BHOH 322 -3.889 3.813 -2.544 0.56 12.43 O
ANISOU 612 O BHOH 322 1737 2079 907 767 128 292 O
HETATM 613 O BHOH 323 -9.652 -3.673 -1.553 0.32 9.58 O
ANISOU 613 O BHOH 323 1493 1033 1114 280 109 -474 O
HETATM 614 O AHOH 324 -1.606 4.477 -1.986 0.44 27.81 O
ANISOU 614 O AHOH 324 5576 2292 2698 166 -1193 -586 O
HETATM 615 O BHOH 324 -1.877 5.424 -1.591 0.56 14.80 O
ANISOU 615 O BHOH 324 3041 1344 1238 1053 -743 -424 O
HETATM 616 O AHOH 325 0.503 4.258 0.019 0.44 17.41 O
ANISOU 616 O AHOH 325 2679 2215 1722 -472 -305 -352 O
HETATM 617 O BHOH 325 -0.351 3.373 -0.850 0.56 9.97 O
ANISOU 617 O BHOH 325 1429 1308 1051 84 46 -211 O
HETATM 618 O AHOH 327 5.971 4.349 -0.454 0.80 13.65 O
ANISOU 618 O AHOH 327 2252 879 2057 271 1344 324 O
HETATM 619 O BHOH 327 4.174 4.399 -2.008 0.40 9.64 O
ANISOU 619 O BHOH 327 1798 916 950 511 -134 -239 O
HETATM 620 O CHOH 327 2.394 3.706 -2.560 0.33 5.22 O
ANISOU 620 O CHOH 327 654 762 565 191 34 -9 O
HETATM 621 O CHOH 329 8.086 17.100 2.830 0.12 4.83 O
ANISOU 621 O CHOH 329 941 459 435 -327 -36 -21 O
HETATM 622 C1 AMPD 400 -18.969 1.362 -9.872 0.67 7.57 C
ANISOU 622 C1 AMPD 400 1211 948 717 288 -19 107 C
HETATM 623 C1 BMPD 400 -19.529 0.016 -13.586 0.33 13.50 C
ANISOU 623 C1 BMPD 400 1419 1670 2041 -654 785 -812 C
HETATM 624 C2 AMPD 400 -20.379 1.518 -10.396 0.67 5.91 C
ANISOU 624 C2 AMPD 400 1155 502 590 31 47 -34 C
HETATM 625 C2 BMPD 400 -20.283 1.346 -13.154 0.33 10.00 C
ANISOU 625 C2 BMPD 400 1459 981 1362 -395 -480 213 C
HETATM 626 O2 AMPD 400 -20.933 0.192 -10.457 0.67 8.42 O
ANISOU 626 O2 AMPD 400 1880 671 650 -353 259 -15 O
HETATM 627 O2 BMPD 400 -21.595 0.905 -13.188 0.33 12.42 O
ANISOU 627 O2 BMPD 400 1329 1967 1424 -416 200 -494 O
HETATM 628 CM AMPD 400 -21.205 2.390 -9.518 0.67 6.78 C
ANISOU 628 CM AMPD 400 992 721 862 46 144 -29 C
HETATM 629 CM BMPD 400 -20.021 2.369 -14.230 0.33 17.42 C
ANISOU 629 CM BMPD 400 3049 2299 1271 -1220 -384 577 C
HETATM 630 C3 AMPD 400 -20.426 2.081 -11.823 0.67 5.17 C
ANISOU 630 C3 AMPD 400 732 596 638 5 48 0 C
HETATM 631 C3 BMPD 400 -19.713 1.791 -11.830 0.33 8.45 C
ANISOU 631 C3 BMPD 400 1392 694 1126 77 -141 45 C
HETATM 632 C4 AMPD 400 -19.937 1.135 -12.911 0.67 5.50 C
ANISOU 632 C4 AMPD 400 753 644 692 -30 19 -29 C
HETATM 633 C4 BMPD 400 -20.077 1.005 -10.616 0.33 8.63 C
ANISOU 633 C4 BMPD 400 1167 868 1244 -13 -87 156 C
HETATM 634 O4 AMPD 400 -20.852 0.084 -13.103 0.67 6.30 O
ANISOU 634 O4 AMPD 400 958 757 679 -274 -29 -42 O
HETATM 635 O4 BMPD 400 -21.332 0.485 -10.550 0.33 11.44 O
ANISOU 635 O4 BMPD 400 1054 1843 1450 -186 -429 447 O
HETATM 636 C5 AMPD 400 -19.816 1.868 -14.237 0.67 5.54 C
ANISOU 636 C5 AMPD 400 786 750 568 -220 6 -39 C
HETATM 637 C5 BMPD 400 -19.645 1.718 -9.353 0.33 13.52 C
ANISOU 637 C5 BMPD 400 2245 1732 1159 -1126 168 49 C
HETATM 638 1H1 AMPD 400 -18.458 0.784 -10.476 0.67 11.35 H
ANISOU 638 1H1 AMPD 400 1437 1437 1437 0 0 0 H
HETATM 639 1H1 BMPD 400 -19.706 -0.689 -12.928 0.33 20.26 H
ANISOU 639 1H1 BMPD 400 2566 2566 2566 0 0 0 H
HETATM 640 2H1 AMPD 400 -18.995 0.960 -8.979 0.67 11.35 H
ANISOU 640 2H1 AMPD 400 1437 1437 1437 0 0 0 H
HETATM 641 2H1 BMPD 400 -18.565 0.186 -13.630 0.33 20.26 H
ANISOU 641 2H1 BMPD 400 2566 2566 2566 0 0 0 H
HETATM 642 3H1 AMPD 400 -18.540 2.242 -9.822 0.67 11.35 H
ANISOU 642 3H1 AMPD 400 1437 1437 1437 0 0 0 H
HETATM 643 3H1 BMPD 400 -19.851 -0.271 -14.466 0.33 20.26 H
ANISOU 643 3H1 BMPD 400 2566 2566 2566 0 0 0 H
HETATM 644 HO2AMPD 400 -20.961 -0.136 -9.684 0.67 12.64 H
ANISOU 644 HO2AMPD 400 1601 1601 1601 0 0 0 H
HETATM 645 HO2BMPD 400 -21.759 0.572 -13.941 0.33 18.64 H
ANISOU 645 HO2BMPD 400 2361 2361 2361 0 0 0 H
HETATM 646 1HM AMPD 400 -22.106 2.473 -9.893 0.67 10.17 H
ANISOU 646 1HM AMPD 400 1288 1288 1288 0 0 0 H
HETATM 647 1HM BMPD 400 -20.379 2.045 -15.083 0.33 26.13 H
ANISOU 647 1HM BMPD 400 3309 3309 3309 0 0 0 H
HETATM 648 2HM AMPD 400 -20.793 3.278 -9.459 0.67 10.17 H
ANISOU 648 2HM AMPD 400 1288 1288 1288 0 0 0 H
HETATM 649 2HM BMPD 400 -19.055 2.514 -14.316 0.33 26.13 H
ANISOU 649 2HM BMPD 400 3309 3309 3309 0 0 0 H
HETATM 650 3HM AMPD 400 -21.259 1.996 -8.623 0.67 10.17 H
ANISOU 650 3HM AMPD 400 1288 1288 1288 0 0 0 H
HETATM 651 3HM BMPD 400 -20.458 3.213 -13.992 0.33 26.13 H
ANISOU 651 3HM BMPD 400 3309 3309 3309 0 0 0 H
HETATM 652 1H3 AMPD 400 -21.359 2.339 -12.028 0.67 6.21 H
ANISOU 652 1H3 AMPD 400 787 787 787 0 0 0 H
HETATM 653 1H3 BMPD 400 -18.726 1.789 -11.909 0.33 10.14 H
ANISOU 653 1H3 BMPD 400 1284 1284 1284 0 0 0 H
HETATM 654 2H3 AMPD 400 -19.877 2.904 -11.853 0.67 6.21 H
ANISOU 654 2H3 AMPD 400 787 787 787 0 0 0 H
HETATM 655 2H3 BMPD 400 -19.992 2.729 -11.680 0.33 10.14 H
ANISOU 655 2H3 BMPD 400 1284 1284 1284 0 0 0 H
HETATM 656 H4 AMPD 400 -19.046 0.761 -12.653 0.67 6.60 H
ANISOU 656 H4 AMPD 400 836 836 836 0 0 0 H
HETATM 657 H4 BMPD 400 -19.482 0.202 -10.658 0.33 10.36 H
ANISOU 657 H4 BMPD 400 1312 1312 1312 0 0 0 H
HETATM 658 HO4AMPD 400 -21.119 0.087 -13.899 0.67 9.45 H
ANISOU 658 HO4AMPD 400 1197 1197 1197 0 0 0 H
HETATM 659 HO4BMPD 400 -21.433 0.090 -9.816 0.33 17.16 H
ANISOU 659 HO4BMPD 400 2173 2173 2173 0 0 0 H
HETATM 660 1H5 AMPD 400 -19.515 1.244 -14.929 0.67 8.30 H
ANISOU 660 1H5 AMPD 400 1051 1051 1051 0 0 0 H
HETATM 661 1H5 BMPD 400 -19.900 1.183 -8.572 0.33 20.28 H
ANISOU 661 1H5 BMPD 400 2568 2568 2568 0 0 0 H
HETATM 662 2H5 AMPD 400 -19.167 2.597 -14.149 0.67 8.30 H
ANISOU 662 2H5 AMPD 400 1051 1051 1051 0 0 0 H
HETATM 663 2H5 BMPD 400 -20.083 2.593 -9.306 0.33 20.28 H
ANISOU 663 2H5 BMPD 400 2568 2568 2568 0 0 0 H
HETATM 664 3H5 AMPD 400 -20.690 2.236 -14.487 0.67 8.30 H
ANISOU 664 3H5 AMPD 400 1051 1051 1051 0 0 0 H
HETATM 665 3H5 BMPD 400 -18.673 1.839 -9.362 0.33 20.28 H
ANISOU 665 3H5 BMPD 400 2568 2568 2568 0 0 0 H
HETATM 666 N AETA 501 2.708 4.186 -5.903 0.45 5.90 N
ANISOU 666 N AETA 501 1010 633 600 26 46 -76 N
HETATM 667 N BETA 501 2.867 3.980 -6.491 0.55 8.90 N
ANISOU 667 N BETA 501 747 1105 1530 48 -199 313 N
HETATM 668 O AETA 501 0.901 1.844 -5.121 0.45 14.90 O
ANISOU 668 O AETA 501 1957 1077 2628 83 1028 -479 O
HETATM 669 O BETA 501 0.460 3.111 -4.596 0.55 9.47 O
ANISOU 669 O BETA 501 1516 921 1162 203 -285 -4 O
HETATM 670 C1 AETA 501 0.788 2.524 -6.373 0.45 19.03 C
ANISOU 670 C1 AETA 501 2231 2529 2470 -1166 -120 -419 C
HETATM 671 C1 BETA 501 1.173 2.386 -5.563 0.55 9.02 C
ANISOU 671 C1 BETA 501 608 1647 1172 109 72 77 C
HETATM 672 C2 AETA 501 1.987 3.337 -6.653 0.45 10.19 C
ANISOU 672 C2 AETA 501 1200 1586 1086 -2 -685 63 C
HETATM 673 C2 BETA 501 1.496 3.502 -6.658 0.55 13.64 C
ANISOU 673 C2 BETA 501 1185 2143 1853 -692 344 83 C
HETATM 674 N AETA 506 3.018 0.691 -1.601 0.46 17.12 N
ANISOU 674 N AETA 506 3380 1272 1853 -307 -387 -78 N
HETATM 675 N BETA 506 5.437 0.693 -0.804 0.47 24.95 N
ANISOU 675 N BETA 506 1803 3460 4217 -275 883 104 N
HETATM 676 O AETA 506 4.369 -1.552 0.424 0.46 10.74 O
ANISOU 676 O AETA 506 1539 1661 883 433 -269 -527 O
HETATM 677 O BETA 506 2.245 2.049 -0.304 0.47 9.53 O
ANISOU 677 O BETA 506 1450 1531 639 538 -67 17 O
HETATM 678 C1 AETA 506 4.033 -0.177 0.425 0.46 17.33 C
ANISOU 678 C1 AETA 506 3016 1840 1729 685 309 -21 C
HETATM 679 C1 BETA 506 2.961 0.965 -0.751 0.47 14.76 C
ANISOU 679 C1 BETA 506 1826 2297 1485 716 462 -549 C
HETATM 680 C2 AETA 506 4.257 0.462 -0.989 0.46 16.59 C
ANISOU 680 C2 AETA 506 2450 1992 1862 603 830 -68 C
HETATM 681 C2 BETA 506 4.339 1.565 -1.043 0.47 17.18 C
ANISOU 681 C2 BETA 506 2484 2296 1746 -18 1168 -242 C
CONECT 1 2 3 7
CONECT 2 1
CONECT 3 1 4 5 6
CONECT 4 3
CONECT 5 3
CONECT 6 3
CONECT 7 1
CONECT 281 282 283 287
CONECT 282 281
CONECT 283 281 284 285 286
CONECT 284 283
CONECT 285 283
CONECT 286 283
CONECT 287 281
CONECT 622 624 638 640 642
CONECT 624 622 626 628 630
CONECT 626 624 644
CONECT 628 624 646 648 650
CONECT 630 624 632 652 654
CONECT 632 630 634 636 656
CONECT 634 632 658
CONECT 636 632 660 662 664
CONECT 638 622
CONECT 640 622
CONECT 642 622
CONECT 644 626
CONECT 646 628
CONECT 648 628
CONECT 650 628
CONECT 652 630
CONECT 654 630
CONECT 656 632
CONECT 658 634
CONECT 660 636
CONECT 662 636
CONECT 664 636
MASTER 268 0 5 2 0 0 0 6 679 2 36 2
END
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