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1426 lines (1426 loc) · 113 KB
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HEADER PROTEINASE INHIBITOR (TRYPSIN) 05-OCT-84 5PTI
TITLE STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS
TITLE 2 OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TRYPSIN INHIBITOR;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS
KEYWDS PROTEINASE INHIBITOR (TRYPSIN)
EXPDTA X-RAY DIFFRACTION
AUTHOR A.WLODAWER,R.HUBER
REVDAT 5 15-JAN-90 5PTI 1 JRNL
REVDAT 4 16-OCT-87 5PTI 1 HELIX
REVDAT 3 16-APR-87 5PTI 1 REMARK
REVDAT 2 04-MAR-85 5PTI 1 JRNL
REVDAT 1 29-OCT-84 5PTI 0
JRNL AUTH A.WLODAWER,J.WALTER,R.HUBER,L.SJOLIN
JRNL TITL STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR.
JRNL TITL 2 RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF
JRNL TITL 3 CRYSTAL FORM II
JRNL REF J.MOL.BIOL. V. 180 301 1984
JRNL REFN ASTM JMOBAK UK ISSN 0022-2836
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.WLODAWER,J.DEISENHOFER,R.HUBER
REMARK 1 TITL COMPARISON OF TWO HIGHLY REFINED STRUCTURES OF
REMARK 1 TITL 2 BOVINE PANCREATIC TRYPSIN INHIBITOR
REMARK 1 REF J.MOL.BIOL. V. 193 145 1987
REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836
REMARK 1 REFERENCE 2
REMARK 1 AUTH J.WALTER,R.HUBER
REMARK 1 TITL PANCREATIC TRYPSIN INHIBITOR. A NEW CRYSTAL FORM
REMARK 1 TITL 2 AND ITS ANALYSIS
REMARK 1 REF J.MOL.BIOL. V. 167 911 1983
REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836
REMARK 2
REMARK 2 RESOLUTION. 1.00 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.00
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : NULL
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING SET) : NULL
REMARK 3 FREE R VALUE : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : NULL
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : NULL
REMARK 3 BIN FREE R VALUE : NULL
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 909
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 6
REMARK 3 SOLVENT ATOMS : 189
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : NULL
REMARK 3 BOND ANGLES (DEGREES) : NULL
REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 5PTI COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006
REMARK 4
REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY.
REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-18)
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : NULL
REMARK 200 PH : NULL
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : NULL
REMARK 200 RADIATION SOURCE : NULL
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL
REMARK 200 WAVELENGTH OR RANGE (A) : NULL
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : NULL
REMARK 200 DETECTOR MANUFACTURER : NULL
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL
REMARK 200 DATA SCALING SOFTWARE : NULL
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL
REMARK 200 RESOLUTION RANGE HIGH (A) : NULL
REMARK 200 RESOLUTION RANGE LOW (A) : NULL
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : NULL
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 35.87
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 1/2-X,-Y,1/2+Z
REMARK 290 3555 -X,1/2+Y,1/2-Z
REMARK 290 4555 1/2+X,1/2-Y,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 37.05000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 14.45000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 11.70000
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 14.45000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 37.05000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 11.70000
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 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT
REMARK 300 WHICH CONSISTS OF 1 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
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: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI
REMARK 500 OE2 GLU A 7 O DOD 225 1.33
REMARK 500 O DOD 80 O DOD 302 1.91
REMARK 500 OE1 GLU A 49 O DOD 304 2.03
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 O ALA A 58 O DOD 320 2564 2.19
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 GLU A 7 OE1 - CD - OE2 ANGL. DEV. =-32.6 DEGREES
REMARK 500 ARG A 17 CD - NE - CZ ANGL. DEV. = 29.0 DEGREES
DBREF 5PTI A 1 58 UNP P00974 BPT1_BOVIN 36 93
SEQRES 1 A 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO
SEQRES 2 A 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS
SEQRES 3 A 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG
SEQRES 4 A 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET
SEQRES 5 A 58 ARG THR CYS GLY GLY ALA
FTNOTE 1 THE ATOMS IN THE SIDE CHAIN OF RESIDUES GLU 7 AND MET 52
FTNOTE 1 WERE FOUND TO OCCUPY TWO MAJOR SITES. THESE ATOMS ARE
FTNOTE 1 DENOTED WITH ALTERNATE LOCATION INDICATORS *A* AND *B*.
FTNOTE 2 HETATM UNK 324 IS PROBABLY A POTASSIUM ION IN A PARTIALLY
FTNOTE 2 OCCUPIED SITE.
HET PO4 70 5
HETNAM PO4 PHOSPHATE ION
HETNAM DOD DEUTERATED WATER
FORMUL 2 PO4 O4 P 3-
FORMUL 4 DOD 63(O)
HELIX 1 H1 PRO A 2 GLU A 7 5ALL DONORS,ACCEPTORS INCLUDED 6
HELIX 2 H2 SER A 47 GLY A 56 1ALL DONORS,ACCEPTORS INCLUDED 10
SHEET 1 S1 3 LEU A 29 TYR A 35 0
SHEET 2 S1 3 ILE A 18 ASN A 24 -1 N ILE A 18 O TYR A 35
SHEET 3 S1 3 PHE A 45 PHE A 45 -1 N PHE A 45 O TYR A 21
SSBOND 1 CYS A 5 CYS A 55
SSBOND 2 CYS A 14 CYS A 38
SSBOND 3 CYS A 30 CYS A 51
CRYST1 74.100 23.400 28.900 90.00 90.00 90.00 P 21 21 21 4
ORIGX1 0.013495 0.000000 0.000000 0.00000
ORIGX2 0.000000 0.042735 0.000000 0.00000
ORIGX3 0.000000 0.000000 0.034602 0.00000
SCALE1 0.013495 0.000000 0.000000 0.00000
SCALE2 0.000000 0.042735 0.000000 0.00000
SCALE3 0.000000 0.000000 0.034602 0.00000
ATOM 1 N ARG A 1 32.231 15.281 -13.143 1.00 28.28 N
ATOM 2 CA ARG A 1 32.184 14.697 -11.772 1.00 27.90 C
ATOM 3 C ARG A 1 33.438 13.890 -11.387 1.00 24.90 C
ATOM 4 O ARG A 1 34.102 13.070 -12.066 1.00 24.44 O
ATOM 5 CB ARG A 1 30.797 14.065 -11.625 1.00 27.88 C
ATOM 6 CG ARG A 1 30.976 12.589 -11.819 1.00 29.61 C
ATOM 7 CD ARG A 1 29.608 12.016 -11.694 1.00 31.91 C
ATOM 8 NE ARG A 1 28.942 12.335 -12.945 1.00 33.51 N
ATOM 9 CZ ARG A 1 27.670 12.696 -13.050 1.00 34.29 C
ATOM 10 NH1 ARG A 1 26.901 12.777 -11.999 1.00 34.48 N
ATOM 11 NH2 ARG A 1 27.161 12.963 -14.255 1.00 35.44 N
ATOM 12 HA ARG A 1 32.192 15.563 -11.115 1.00 26.97 H
ATOM 13 HB2 ARG A 1 30.392 14.428 -10.697 1.00 28.71 H
ATOM 14 HB3 ARG A 1 30.182 14.438 -12.437 1.00 28.97 H
ATOM 15 HG2 ARG A 1 31.369 12.359 -12.800 1.00 29.44 H
ATOM 16 HG3 ARG A 1 31.591 12.143 -11.105 1.00 29.52 H
ATOM 17 HD2 ARG A 1 29.656 10.965 -11.482 1.00 31.41 H
ATOM 18 HD3 ARG A 1 29.218 12.381 -10.794 1.00 31.29 H
ATOM 19 DE ARG A 1 29.457 12.292 -13.843 1.00 34.62 D
ATOM 20 DH11 ARG A 1 25.930 13.038 -12.118 1.00 34.80 D
ATOM 21 DH12 ARG A 1 27.324 12.549 -11.100 1.00 34.71 D
ATOM 22 DH21 ARG A 1 27.786 12.886 -15.076 1.00 33.93 D
ATOM 23 DH22 ARG A 1 26.154 13.214 -14.269 1.00 34.53 D
ATOM 24 D1 ARG A 1 32.983 14.824 -13.703 1.00 27.71 D
ATOM 25 D2 ARG A 1 31.275 15.112 -13.535 1.00 28.50 D
ATOM 26 D3 ARG A 1 32.174 16.346 -13.050 1.00 28.23 D
ATOM 27 N PRO A 2 33.738 14.173 -10.126 1.00 22.41 N
ATOM 28 CA PRO A 2 34.897 13.603 -9.390 1.00 19.52 C
ATOM 29 C PRO A 2 34.652 12.135 -9.374 1.00 17.70 C
ATOM 30 O PRO A 2 33.583 11.537 -9.255 1.00 16.41 O
ATOM 31 CB PRO A 2 34.826 14.292 -8.056 1.00 21.00 C
ATOM 32 CG PRO A 2 33.927 15.515 -8.135 1.00 20.91 C
ATOM 33 CD PRO A 2 32.967 15.143 -9.243 1.00 22.49 C
ATOM 34 HA PRO A 2 35.676 14.152 -9.928 1.00 20.45 H
ATOM 35 HB2 PRO A 2 34.431 13.672 -7.369 1.00 19.62 H
ATOM 36 HB3 PRO A 2 35.763 14.517 -7.635 1.00 20.71 H
ATOM 37 HG2 PRO A 2 33.695 15.873 -7.330 1.00 21.92 H
ATOM 38 HG3 PRO A 2 34.491 16.303 -8.682 1.00 21.93 H
ATOM 39 HD2 PRO A 2 32.028 14.742 -9.058 1.00 22.01 H
ATOM 40 HD3 PRO A 2 32.880 16.031 -9.875 1.00 22.06 H
ATOM 41 N ASP A 3 35.790 11.466 -9.466 1.00 16.15 N
ATOM 42 CA ASP A 3 35.837 10.014 -9.507 1.00 17.15 C
ATOM 43 C ASP A 3 35.296 9.402 -8.236 1.00 13.33 C
ATOM 44 O ASP A 3 34.812 8.288 -8.260 1.00 12.36 O
ATOM 45 CB ASP A 3 37.124 9.634 -10.244 1.00 24.92 C
ATOM 46 CG ASP A 3 36.968 9.957 -11.773 1.00 31.50 C
ATOM 47 OD1 ASP A 3 37.083 11.141 -12.174 1.00 35.71 O
ATOM 48 OD2 ASP A 3 36.712 9.158 -12.735 1.00 35.43 O
ATOM 49 D ASP A 3 36.688 11.887 -9.571 1.00 17.62 D
ATOM 50 HA ASP A 3 35.144 9.745 -10.321 1.00 17.24 H
ATOM 51 HB2 ASP A 3 37.980 10.245 -10.070 1.00 24.71 H
ATOM 52 HB3 ASP A 3 37.455 8.626 -10.132 1.00 24.82 H
ATOM 53 N PHE A 4 35.466 10.210 -7.174 1.00 12.38 N
ATOM 54 CA PHE A 4 34.975 9.704 -5.855 1.00 13.61 C
ATOM 55 C PHE A 4 33.438 9.514 -5.843 1.00 13.10 C
ATOM 56 O PHE A 4 32.937 8.733 -5.020 1.00 13.82 O
ATOM 57 CB PHE A 4 35.435 10.423 -4.613 1.00 12.65 C
ATOM 58 CG PHE A 4 34.960 11.819 -4.512 1.00 12.81 C
ATOM 59 CD1 PHE A 4 33.708 12.036 -3.946 1.00 12.38 C
ATOM 60 CD2 PHE A 4 35.717 12.897 -4.923 1.00 13.29 C
ATOM 61 CE1 PHE A 4 33.249 13.321 -3.826 1.00 14.62 C
ATOM 62 CE2 PHE A 4 35.276 14.180 -4.764 1.00 14.01 C
ATOM 63 CZ PHE A 4 33.998 14.423 -4.229 1.00 13.69 C
ATOM 64 D PHE A 4 35.855 11.106 -7.148 1.00 12.61 D
ATOM 65 HA PHE A 4 35.473 8.781 -5.789 1.00 13.11 H
ATOM 66 HB2 PHE A 4 34.977 9.863 -3.723 1.00 13.10 H
ATOM 67 HB3 PHE A 4 36.455 10.163 -4.400 1.00 13.31 H
ATOM 68 HD1 PHE A 4 33.150 11.213 -3.635 1.00 13.03 H
ATOM 69 HD2 PHE A 4 36.680 12.699 -5.370 1.00 12.63 H
ATOM 70 HE1 PHE A 4 32.321 13.499 -3.366 1.00 13.29 H
ATOM 71 HE2 PHE A 4 35.758 15.036 -5.065 1.00 13.88 H
ATOM 72 HZ PHE A 4 33.588 15.411 -4.093 1.00 14.46 H
ATOM 73 N CYS A 5 32.757 10.236 -6.732 1.00 12.49 N
ATOM 74 CA CYS A 5 31.286 10.029 -6.794 1.00 10.18 C
ATOM 75 C CYS A 5 30.864 8.652 -7.254 1.00 10.29 C
ATOM 76 O CYS A 5 29.690 8.279 -7.116 1.00 10.73 O
ATOM 77 CB CYS A 5 30.794 11.065 -7.789 1.00 10.74 C
ATOM 78 SG CYS A 5 31.075 12.797 -7.325 1.00 12.66 S
ATOM 79 D CYS A 5 33.206 10.888 -7.363 1.00 12.80 D
ATOM 80 HA CYS A 5 30.964 10.266 -5.800 1.00 10.82 H
ATOM 81 HB2 CYS A 5 31.501 10.869 -8.603 1.00 11.04 H
ATOM 82 HB3 CYS A 5 29.793 10.892 -8.171 1.00 10.88 H
ATOM 83 N LEU A 6 31.740 7.909 -7.843 1.00 10.75 N
ATOM 84 CA LEU A 6 31.467 6.583 -8.351 1.00 12.75 C
ATOM 85 C LEU A 6 31.799 5.589 -7.246 1.00 13.85 C
ATOM 86 O LEU A 6 31.435 4.425 -7.543 1.00 15.33 O
ATOM 87 CB LEU A 6 32.345 6.258 -9.563 1.00 14.73 C
ATOM 88 CG LEU A 6 32.299 7.212 -10.787 1.00 16.78 C
ATOM 89 CD1 LEU A 6 33.160 6.693 -11.917 1.00 17.42 C
ATOM 90 CD2 LEU A 6 30.881 7.341 -11.280 1.00 16.88 C
ATOM 91 D LEU A 6 32.679 8.218 -7.970 1.00 11.34 D
ATOM 92 HA LEU A 6 30.422 6.406 -8.558 1.00 13.62 H
ATOM 93 HB2 LEU A 6 33.392 6.256 -9.245 1.00 14.22 H
ATOM 94 HB3 LEU A 6 32.141 5.230 -9.918 1.00 14.86 H
ATOM 95 HG LEU A 6 32.550 8.192 -10.401 1.00 16.74 H
ATOM 96 HD11 LEU A 6 34.189 6.620 -11.585 1.00 17.89 H
ATOM 97 HD12 LEU A 6 32.719 5.718 -12.170 1.00 17.82 H
ATOM 98 HD13 LEU A 6 33.064 7.391 -12.752 1.00 17.88 H
ATOM 99 HD21 LEU A 6 30.328 6.553 -10.667 1.00 16.77 H
ATOM 100 HD22 LEU A 6 30.078 8.051 -11.126 1.00 17.21 H
ATOM 101 HD23 LEU A 6 30.861 7.064 -12.332 1.00 16.98 H
ATOM 102 N GLU A 7 32.397 5.971 -6.128 1.00 12.79 N
ATOM 103 CA GLU A 7 32.663 4.924 -5.112 1.00 15.64 C
ATOM 104 C GLU A 7 31.435 4.576 -4.301 1.00 12.90 C
ATOM 105 O GLU A 7 30.565 5.427 -4.120 1.00 12.97 O
ATOM 106 CB AGLU A 7 33.865 5.265 -4.204 0.70 17.43 C
ATOM 107 CB BGLU A 7 34.000 4.971 -4.371 0.30 15.43 C
ATOM 108 CG AGLU A 7 34.117 6.694 -3.781 0.70 19.72 C
ATOM 109 CG BGLU A 7 35.189 5.031 -5.331 0.30 15.96 C
ATOM 110 CD AGLU A 7 34.935 7.120 -2.561 0.70 20.46 C
ATOM 111 CD BGLU A 7 35.814 3.742 -5.819 0.30 16.40 C
ATOM 112 OE1AGLU A 7 36.104 6.753 -2.502 0.70 22.37 O
ATOM 113 OE1BGLU A 7 35.348 2.965 -6.631 0.30 16.49 O
ATOM 114 OE2AGLU A 7 34.267 7.823 -1.815 0.70 18.99 O
ATOM 115 OE2BGLU A 7 35.846 2.854 -4.979 0.30 16.88 O
ATOM 116 D GLU A 7 32.631 6.879 -5.916 1.00 13.33 D
ATOM 117 HA GLU A 7 32.837 4.055 -5.770 1.00 14.63 H
ATOM 118 HB2AGLU A 7 33.913 4.637 -3.325 0.70 18.60 H
ATOM 119 HB2BGLU A 7 34.007 5.833 -3.693 0.30 15.91 H
ATOM 120 HB3AGLU A 7 34.757 4.929 -4.809 0.70 17.98 H
ATOM 121 HB3BGLU A 7 34.147 4.095 -3.748 0.30 15.98 H
ATOM 122 HG2AGLU A 7 34.689 7.248 -4.538 0.70 19.95 H
ATOM 123 HG2BGLU A 7 34.911 5.551 -6.241 0.30 15.98 H
ATOM 124 HG3AGLU A 7 33.221 7.296 -3.671 0.70 19.64 H
ATOM 125 HG3BGLU A 7 35.976 5.605 -4.862 0.30 16.05 H
ATOM 126 N PRO A 8 31.351 3.333 -3.911 1.00 13.23 N
ATOM 127 CA PRO A 8 30.224 2.852 -3.086 1.00 13.50 C
ATOM 128 C PRO A 8 30.334 3.516 -1.707 1.00 12.26 C
ATOM 129 O PRO A 8 31.391 3.997 -1.293 1.00 11.77 O
ATOM 130 CB PRO A 8 30.283 1.334 -2.995 1.00 15.10 C
ATOM 131 CG PRO A 8 31.757 1.097 -3.199 1.00 16.05 C
ATOM 132 CD PRO A 8 32.313 2.218 -4.085 1.00 15.37 C
ATOM 133 HA PRO A 8 29.270 3.086 -3.515 1.00 13.91 H
ATOM 134 HB2 PRO A 8 29.909 0.979 -2.059 1.00 15.27 H
ATOM 135 HB3 PRO A 8 29.773 0.877 -3.721 1.00 15.88 H
ATOM 136 HG2 PRO A 8 32.262 1.339 -2.263 1.00 15.42 H
ATOM 137 HG3 PRO A 8 31.885 0.245 -3.473 1.00 15.73 H
ATOM 138 HD2 PRO A 8 33.271 2.433 -3.655 1.00 14.70 H
ATOM 139 HD3 PRO A 8 32.442 2.084 -5.129 1.00 13.81 H
ATOM 140 N PRO A 9 29.200 3.631 -1.017 1.00 11.39 N
ATOM 141 CA PRO A 9 29.160 4.238 0.321 1.00 11.12 C
ATOM 142 C PRO A 9 29.993 3.377 1.274 1.00 10.17 C
ATOM 143 O PRO A 9 30.074 2.152 1.156 1.00 12.88 O
ATOM 144 CB PRO A 9 27.687 4.418 0.604 1.00 11.43 C
ATOM 145 CG PRO A 9 27.075 3.186 -0.051 1.00 12.21 C
ATOM 146 CD PRO A 9 27.842 3.087 -1.403 1.00 11.84 C
ATOM 147 HA PRO A 9 29.948 4.895 0.524 1.00 11.67 H
ATOM 148 HB2 PRO A 9 27.561 4.500 1.669 1.00 11.73 H
ATOM 149 HB3 PRO A 9 27.101 5.216 0.385 1.00 11.99 H
ATOM 150 HG2 PRO A 9 27.438 2.371 0.555 1.00 12.56 H
ATOM 151 HG3 PRO A 9 26.185 3.227 -0.191 1.00 12.62 H
ATOM 152 HD2 PRO A 9 28.020 2.060 -1.684 1.00 12.42 H
ATOM 153 HD3 PRO A 9 27.381 3.649 -2.145 1.00 12.15 H
ATOM 154 N TYR A 10 30.651 4.022 2.200 1.00 9.53 N
ATOM 155 CA TYR A 10 31.512 3.320 3.156 1.00 10.73 C
ATOM 156 C TYR A 10 31.044 3.577 4.617 1.00 9.35 C
ATOM 157 O TYR A 10 31.146 4.687 5.117 1.00 9.61 O
ATOM 158 CB TYR A 10 32.937 3.888 2.901 1.00 12.55 C
ATOM 159 CG TYR A 10 33.970 3.270 3.808 1.00 14.36 C
ATOM 160 CD1 TYR A 10 34.254 1.932 3.622 1.00 16.08 C
ATOM 161 CD2 TYR A 10 34.619 4.002 4.797 1.00 14.93 C
ATOM 162 CE1 TYR A 10 35.226 1.305 4.406 1.00 16.73 C
ATOM 163 CE2 TYR A 10 35.621 3.422 5.573 1.00 15.90 C
ATOM 164 CZ TYR A 10 35.896 2.071 5.383 1.00 17.33 C
ATOM 165 OH TYR A 10 36.861 1.438 6.195 1.00 19.17 O
ATOM 166 D TYR A 10 30.552 5.011 2.208 1.00 11.16 D
ATOM 167 HA TYR A 10 31.496 2.274 3.038 1.00 9.89 H
ATOM 168 HB2 TYR A 10 33.209 3.682 1.839 1.00 12.54 H
ATOM 169 HB3 TYR A 10 32.886 4.980 2.956 1.00 13.38 H
ATOM 170 HD1 TYR A 10 33.815 1.318 2.852 1.00 15.57 H
ATOM 171 HD2 TYR A 10 34.400 5.053 4.955 1.00 15.82 H
ATOM 172 HE1 TYR A 10 35.521 0.270 4.282 1.00 17.01 H
ATOM 173 DE1 TYR A 10 37.454 0.912 5.573 1.00 18.49 D
ATOM 174 HE2 TYR A 10 36.108 3.926 6.391 1.00 16.44 H
ATOM 175 N THR A 11 30.520 2.576 5.235 1.00 10.38 N
ATOM 176 CA THR A 11 30.045 2.720 6.641 1.00 12.46 C
ATOM 177 C THR A 11 31.223 2.838 7.584 1.00 11.29 C
ATOM 178 O THR A 11 31.192 3.641 8.497 1.00 11.82 O
ATOM 179 CB THR A 11 29.228 1.496 7.037 1.00 13.67 C
ATOM 180 OG1 THR A 11 28.069 1.656 6.232 1.00 15.23 O
ATOM 181 CG2 THR A 11 28.852 1.446 8.517 1.00 14.27 C
ATOM 182 D THR A 11 30.436 1.643 4.870 1.00 10.49 D
ATOM 183 HA THR A 11 29.423 3.601 6.562 1.00 11.61 H
ATOM 184 HB THR A 11 29.870 0.631 6.788 1.00 14.33 H
ATOM 185 DG1 THR A 11 27.430 2.351 6.648 1.00 13.46 D
ATOM 186 HG21 THR A 11 28.326 2.341 8.826 1.00 14.24 H
ATOM 187 HG22 THR A 11 28.145 0.662 8.885 1.00 14.01 H
ATOM 188 HG23 THR A 11 29.753 1.305 9.111 1.00 14.17 H
ATOM 189 N GLY A 12 32.251 2.091 7.350 1.00 12.43 N
ATOM 190 CA GLY A 12 33.523 2.128 8.130 1.00 13.15 C
ATOM 191 C GLY A 12 33.399 1.159 9.309 1.00 12.80 C
ATOM 192 O GLY A 12 32.437 0.461 9.511 1.00 12.30 O
ATOM 193 D GLY A 12 32.396 1.396 6.648 1.00 13.32 D
ATOM 194 HA2 GLY A 12 34.329 1.947 7.445 1.00 12.98 H
ATOM 195 HA3 GLY A 12 33.702 3.161 8.474 1.00 12.73 H
ATOM 196 N PRO A 13 34.502 1.082 10.072 1.00 14.49 N
ATOM 197 CA PRO A 13 34.519 0.168 11.227 1.00 13.95 C
ATOM 198 C PRO A 13 33.916 0.539 12.596 1.00 13.29 C
ATOM 199 O PRO A 13 33.930 -0.237 13.544 1.00 14.10 O
ATOM 200 CB PRO A 13 36.012 -0.082 11.370 1.00 13.23 C
ATOM 201 CG PRO A 13 36.631 1.239 10.992 1.00 14.60 C
ATOM 202 CD PRO A 13 35.765 1.879 9.928 1.00 13.98 C
ATOM 203 HA PRO A 13 33.847 -0.643 11.074 1.00 14.35 H
ATOM 204 HB2 PRO A 13 36.119 -0.140 12.472 1.00 14.34 H
ATOM 205 HB3 PRO A 13 36.450 -0.937 11.151 1.00 15.01 H
ATOM 206 HG2 PRO A 13 36.465 1.829 11.916 1.00 14.42 H
ATOM 207 HG3 PRO A 13 37.553 1.200 10.948 1.00 14.14 H
ATOM 208 HD2 PRO A 13 35.329 2.839 10.245 1.00 15.29 H
ATOM 209 HD3 PRO A 13 36.248 1.923 9.001 1.00 14.83 H
ATOM 210 N CYS A 14 33.434 1.727 12.750 1.00 12.13 N
ATOM 211 CA CYS A 14 32.817 2.337 13.956 1.00 13.10 C
ATOM 212 C CYS A 14 31.326 1.931 13.983 1.00 14.28 C
ATOM 213 O CYS A 14 30.770 1.555 12.956 1.00 14.31 O
ATOM 214 CB CYS A 14 33.176 3.792 14.087 1.00 11.97 C
ATOM 215 SG CYS A 14 34.877 4.044 14.560 1.00 12.63 S
ATOM 216 D CYS A 14 33.427 2.362 11.996 1.00 13.25 D
ATOM 217 HA CYS A 14 33.224 1.848 14.827 1.00 13.16 H
ATOM 218 HB2 CYS A 14 33.021 4.260 13.114 1.00 13.49 H
ATOM 219 HB3 CYS A 14 32.555 4.350 14.792 1.00 13.18 H
ATOM 220 N LYS A 15 30.797 1.938 15.212 1.00 15.59 N
ATOM 221 CA LYS A 15 29.455 1.371 15.454 1.00 16.40 C
ATOM 222 C LYS A 15 28.360 2.334 15.735 1.00 14.53 C
ATOM 223 O LYS A 15 27.329 1.956 16.299 1.00 16.12 O
ATOM 224 CB LYS A 15 29.669 0.354 16.551 1.00 20.41 C
ATOM 225 CG LYS A 15 30.972 -0.476 16.541 1.00 23.07 C
ATOM 226 CD LYS A 15 30.959 -1.503 15.478 1.00 26.62 C
ATOM 227 CE LYS A 15 32.296 -2.170 15.136 1.00 30.12 C
ATOM 228 NZ LYS A 15 31.836 -3.309 14.215 1.00 33.66 N
ATOM 229 D LYS A 15 31.295 2.148 16.031 1.00 14.44 D
ATOM 230 HA LYS A 15 29.255 0.802 14.539 1.00 16.86 H
ATOM 231 HB2 LYS A 15 29.799 0.904 17.523 1.00 20.00 H
ATOM 232 HB3 LYS A 15 28.831 -0.272 16.908 1.00 19.65 H
ATOM 233 HG2 LYS A 15 31.824 0.190 16.751 1.00 23.69 H
ATOM 234 HG3 LYS A 15 30.934 -0.947 17.555 1.00 23.35 H
ATOM 235 HD2 LYS A 15 30.314 -2.379 15.590 1.00 26.65 H
ATOM 236 HD3 LYS A 15 30.655 -1.058 14.485 1.00 26.43 H
ATOM 237 HE2 LYS A 15 32.766 -1.611 14.351 1.00 30.52 H
ATOM 238 HE3 LYS A 15 32.769 -2.717 15.928 1.00 30.42 H
ATOM 239 DZ1 LYS A 15 31.352 -2.960 13.354 1.00 32.81 D
ATOM 240 DZ2 LYS A 15 32.722 -3.881 14.018 1.00 33.31 D
ATOM 241 DZ3 LYS A 15 31.212 -4.018 14.678 1.00 32.78 D
ATOM 242 N ALA A 16 28.538 3.555 15.339 1.00 12.01 N
ATOM 243 CA ALA A 16 27.519 4.598 15.454 1.00 12.90 C
ATOM 244 C ALA A 16 26.498 4.287 14.310 1.00 12.51 C
ATOM 245 O ALA A 16 26.836 3.476 13.402 1.00 13.19 O
ATOM 246 CB ALA A 16 27.988 6.045 15.277 1.00 11.07 C
ATOM 247 D ALA A 16 29.382 3.725 14.844 1.00 15.12 D
ATOM 248 HA ALA A 16 27.005 4.610 16.375 1.00 11.30 H
ATOM 249 HB1 ALA A 16 28.805 6.350 15.920 1.00 12.51 H
ATOM 250 HB2 ALA A 16 28.517 6.226 14.332 1.00 12.25 H
ATOM 251 HB3 ALA A 16 27.104 6.681 15.367 1.00 12.27 H
ATOM 252 N ARG A 17 25.365 4.924 14.324 1.00 12.27 N
ATOM 253 CA ARG A 17 24.373 4.865 13.248 1.00 13.57 C
ATOM 254 C ARG A 17 24.031 6.307 12.896 1.00 11.67 C
ATOM 255 O ARG A 17 23.100 6.914 13.431 1.00 13.64 O
ATOM 256 CB ARG A 17 23.121 4.138 13.566 1.00 15.95 C
ATOM 257 CG ARG A 17 23.529 2.682 13.790 1.00 21.32 C
ATOM 258 CD ARG A 17 22.243 2.045 14.156 1.00 25.64 C
ATOM 259 NE ARG A 17 21.702 1.586 12.894 1.00 32.90 N
ATOM 260 CZ ARG A 17 20.864 1.665 11.854 1.00 35.77 C
ATOM 261 NH1 ARG A 17 19.924 2.628 11.721 1.00 36.79 N
ATOM 262 NH2 ARG A 17 20.970 0.717 10.868 1.00 36.81 N
ATOM 263 D ARG A 17 25.215 5.619 15.055 1.00 13.85 D
ATOM 264 HA ARG A 17 24.803 4.465 12.336 1.00 12.52 H
ATOM 265 HB2 ARG A 17 22.566 4.456 14.456 1.00 17.10 H
ATOM 266 HB3 ARG A 17 22.446 4.306 12.740 1.00 17.01 H
ATOM 267 HG2 ARG A 17 24.096 2.201 13.028 1.00 20.76 H
ATOM 268 HG3 ARG A 17 24.162 2.597 14.652 1.00 20.12 H
ATOM 269 HD2 ARG A 17 22.509 1.196 14.762 1.00 27.02 H
ATOM 270 HD3 ARG A 17 21.617 2.668 14.729 1.00 26.69 H
ATOM 271 DE ARG A 17 22.338 0.732 12.765 1.00 34.58 D
ATOM 272 DH11 ARG A 17 19.809 3.376 12.418 1.00 35.94 D
ATOM 273 DH12 ARG A 17 19.300 2.647 10.901 1.00 35.75 D
ATOM 274 DH21 ARG A 17 21.641 -0.055 10.942 1.00 35.56 D
ATOM 275 DH22 ARG A 17 20.319 0.741 10.088 1.00 35.91 D
ATOM 276 N ILE A 18 24.783 6.955 12.017 1.00 10.78 N
ATOM 277 CA ILE A 18 24.709 8.341 11.537 1.00 10.61 C
ATOM 278 C ILE A 18 24.204 8.278 10.079 1.00 10.94 C
ATOM 279 O ILE A 18 24.876 7.679 9.249 1.00 10.62 O
ATOM 280 CB ILE A 18 26.042 9.082 11.623 1.00 11.97 C
ATOM 281 CG1 ILE A 18 26.652 9.020 13.051 1.00 13.12 C
ATOM 282 CG2 ILE A 18 25.974 10.525 11.176 1.00 10.95 C
ATOM 283 CD1 ILE A 18 28.148 9.276 13.084 1.00 13.42 C
ATOM 284 H ILE A 18 25.549 6.401 11.624 1.00 11.76 H
ATOM 285 HA ILE A 18 24.000 8.847 12.188 1.00 11.05 H
ATOM 286 HB ILE A 18 26.865 8.594 11.118 1.00 11.50 H
ATOM 287 HG12 ILE A 18 25.954 9.414 13.777 1.00 13.26 H
ATOM 288 HG13 ILE A 18 26.548 7.951 13.380 1.00 13.89 H
ATOM 289 HG21 ILE A 18 25.331 10.602 10.286 1.00 11.59 H
ATOM 290 HG22 ILE A 18 25.493 11.179 11.921 1.00 12.37 H
ATOM 291 HG23 ILE A 18 26.964 10.890 10.940 1.00 12.46 H
ATOM 292 HD11 ILE A 18 28.535 10.191 12.656 1.00 14.38 H
ATOM 293 HD12 ILE A 18 28.455 8.952 14.098 1.00 13.86 H
ATOM 294 HD13 ILE A 18 28.699 8.514 12.441 1.00 13.73 H
ATOM 295 N ILE A 19 23.050 8.866 9.854 1.00 10.63 N
ATOM 296 CA ILE A 19 22.472 8.852 8.467 1.00 11.65 C
ATOM 297 C ILE A 19 23.093 9.970 7.681 1.00 10.38 C
ATOM 298 O ILE A 19 23.078 11.156 8.055 1.00 12.22 O
ATOM 299 CB ILE A 19 20.954 9.049 8.496 1.00 13.30 C
ATOM 300 CG1 ILE A 19 20.478 7.843 9.308 1.00 15.24 C
ATOM 301 CG2 ILE A 19 20.383 9.074 7.118 1.00 13.64 C
ATOM 302 CD1 ILE A 19 21.047 6.435 9.116 1.00 16.83 C
ATOM 303 D ILE A 19 22.527 9.412 10.455 1.00 10.47 D
ATOM 304 HA ILE A 19 22.918 7.937 8.132 1.00 10.97 H
ATOM 305 HB ILE A 19 20.852 10.028 8.952 1.00 14.17 H
ATOM 306 HG12 ILE A 19 20.631 8.038 10.370 1.00 15.45 H
ATOM 307 HG13 ILE A 19 19.392 7.700 9.202 1.00 15.29 H
ATOM 308 HG21 ILE A 19 20.776 8.130 6.682 1.00 13.57 H
ATOM 309 HG22 ILE A 19 19.302 8.957 7.044 1.00 13.63 H
ATOM 310 HG23 ILE A 19 20.641 9.847 6.406 1.00 14.10 H
ATOM 311 HD11 ILE A 19 22.105 6.190 9.208 1.00 15.89 H
ATOM 312 HD12 ILE A 19 20.411 5.657 9.580 1.00 16.70 H
ATOM 313 HD13 ILE A 19 20.856 6.216 8.025 1.00 15.33 H
ATOM 314 N ARG A 20 23.726 9.516 6.564 1.00 10.55 N
ATOM 315 CA ARG A 20 24.442 10.455 5.670 1.00 10.78 C
ATOM 316 C ARG A 20 23.927 10.184 4.206 1.00 9.27 C
ATOM 317 O ARG A 20 23.300 9.191 3.965 1.00 10.69 O
ATOM 318 CB ARG A 20 25.962 10.178 5.691 1.00 9.44 C
ATOM 319 CG ARG A 20 26.624 10.625 7.025 1.00 10.78 C
ATOM 320 CD ARG A 20 26.683 12.084 7.147 1.00 12.14 C
ATOM 321 NE ARG A 20 27.301 12.496 8.436 1.00 13.47 N
ATOM 322 CZ ARG A 20 28.569 12.515 8.793 1.00 14.63 C
ATOM 323 NH1 ARG A 20 29.528 12.120 7.954 1.00 14.38 N
ATOM 324 NH2 ARG A 20 28.880 12.930 10.036 1.00 15.39 N
ATOM 325 H ARG A 20 23.787 8.592 6.237 1.00 11.60 H
ATOM 326 HA ARG A 20 24.058 11.425 5.818 1.00 9.96 H
ATOM 327 HB2 ARG A 20 25.997 9.096 5.514 1.00 11.42 H
ATOM 328 HB3 ARG A 20 26.473 10.556 4.823 1.00 11.61 H
ATOM 329 HG2 ARG A 20 26.061 10.144 7.831 1.00 10.85 H
ATOM 330 HG3 ARG A 20 27.535 10.103 7.169 1.00 11.31 H
ATOM 331 HD2 ARG A 20 27.287 12.570 6.390 1.00 12.19 H
ATOM 332 HD3 ARG A 20 25.902 12.789 7.042 1.00 11.77 H
ATOM 333 DE ARG A 20 26.641 12.861 9.099 1.00 15.00 D
ATOM 334 DH11 ARG A 20 30.497 12.035 8.190 1.00 15.45 D
ATOM 335 DH12 ARG A 20 29.294 11.758 7.027 1.00 15.68 D
ATOM 336 DH21 ARG A 20 29.867 12.914 10.308 1.00 13.82 D
ATOM 337 DH22 ARG A 20 28.137 13.263 10.632 1.00 14.55 D
ATOM 338 N TYR A 21 24.290 11.111 3.341 1.00 9.20 N
ATOM 339 CA TYR A 21 23.980 10.950 1.898 1.00 8.22 C
ATOM 340 C TYR A 21 25.230 10.503 1.171 1.00 8.71 C
ATOM 341 O TYR A 21 26.337 10.911 1.504 1.00 8.47 O
ATOM 342 CB TYR A 21 23.571 12.308 1.316 1.00 9.14 C
ATOM 343 CG TYR A 21 22.096 12.567 1.577 1.00 10.30 C
ATOM 344 CD1 TYR A 21 21.657 13.359 2.656 1.00 10.02 C
ATOM 345 CD2 TYR A 21 21.170 12.008 0.718 1.00 10.29 C
ATOM 346 CE1 TYR A 21 20.312 13.586 2.819 1.00 11.24 C
ATOM 347 CE2 TYR A 21 19.795 12.189 0.909 1.00 11.46 C
ATOM 348 CZ TYR A 21 19.370 13.026 1.971 1.00 12.26 C
ATOM 349 OH TYR A 21 17.995 13.168 2.092 1.00 13.81 O
ATOM 350 H TYR A 21 24.869 11.855 3.627 1.00 9.54 H
ATOM 351 HA TYR A 21 23.253 10.171 1.894 1.00 9.45 H
ATOM 352 HB2 TYR A 21 24.218 13.154 1.485 1.00 10.74 H
ATOM 353 HB3 TYR A 21 23.593 12.133 0.220 1.00 9.35 H
ATOM 354 HD1 TYR A 21 22.396 13.821 3.302 1.00 11.00 H
ATOM 355 HD2 TYR A 21 21.487 11.347 -0.072 1.00 10.53 H
ATOM 356 HE1 TYR A 21 19.977 14.203 3.642 1.00 10.87 H
ATOM 357 DE1 TYR A 21 17.713 13.930 2.654 1.00 14.85 D
ATOM 358 HE2 TYR A 21 19.073 11.749 0.247 1.00 11.44 H
ATOM 359 N PHE A 22 24.953 9.731 0.125 1.00 7.43 N
ATOM 360 CA PHE A 22 25.997 9.344 -0.804 1.00 6.76 C
ATOM 361 C PHE A 22 25.379 9.511 -2.224 1.00 7.20 C
ATOM 362 O PHE A 22 24.147 9.372 -2.366 1.00 7.41 O
ATOM 363 CB PHE A 22 26.543 7.944 -0.689 1.00 6.59 C
ATOM 364 CG PHE A 22 25.670 6.853 -1.112 1.00 7.76 C
ATOM 365 CD1 PHE A 22 25.945 6.167 -2.285 1.00 8.47 C
ATOM 366 CD2 PHE A 22 24.511 6.513 -0.412 1.00 8.78 C
ATOM 367 CE1 PHE A 22 25.147 5.127 -2.683 1.00 9.15 C
ATOM 368 CE2 PHE A 22 23.691 5.457 -0.800 1.00 9.59 C
ATOM 369 CZ PHE A 22 24.024 4.780 -1.963 1.00 9.79 C
ATOM 370 H PHE A 22 24.062 9.484 -0.227 1.00 8.93 H
ATOM 371 HA PHE A 22 26.914 9.910 -0.832 1.00 6.50 H
ATOM 372 HB2 PHE A 22 27.448 8.048 -1.293 1.00 7.09 H
ATOM 373 HB3 PHE A 22 26.675 7.814 0.433 1.00 5.77 H
ATOM 374 HD1 PHE A 22 26.792 6.452 -2.819 1.00 8.71 H
ATOM 375 HD2 PHE A 22 24.305 7.028 0.503 1.00 8.57 H
ATOM 376 HE1 PHE A 22 25.378 4.634 -3.594 1.00 9.13 H
ATOM 377 HE2 PHE A 22 22.866 5.192 -0.228 1.00 9.05 H
ATOM 378 HZ PHE A 22 23.411 3.987 -2.299 1.00 9.64 H
ATOM 379 N TYR A 23 26.248 9.721 -3.224 1.00 8.20 N
ATOM 380 CA TYR A 23 25.779 9.725 -4.634 1.00 7.28 C
ATOM 381 C TYR A 23 25.786 8.322 -5.124 1.00 7.57 C
ATOM 382 O TYR A 23 26.818 7.621 -5.132 1.00 8.16 O
ATOM 383 CB TYR A 23 26.759 10.511 -5.499 1.00 9.85 C
ATOM 384 CG TYR A 23 26.248 10.666 -6.944 1.00 9.96 C
ATOM 385 CD1 TYR A 23 26.914 10.044 -7.987 1.00 10.97 C
ATOM 386 CD2 TYR A 23 25.125 11.475 -7.226 1.00 11.33 C
ATOM 387 CE1 TYR A 23 26.451 10.178 -9.295 1.00 11.27 C
ATOM 388 CE2 TYR A 23 24.587 11.603 -8.518 1.00 11.73 C
ATOM 389 CZ TYR A 23 25.294 10.925 -9.501 1.00 11.91 C
ATOM 390 OH TYR A 23 24.839 11.085 -10.793 1.00 14.10 O
ATOM 391 H TYR A 23 27.210 9.753 -3.004 1.00 7.41 H
ATOM 392 HA TYR A 23 24.818 10.226 -4.744 1.00 8.02 H
ATOM 393 HB2 TYR A 23 26.593 11.519 -5.121 1.00 9.84 H
ATOM 394 HB3 TYR A 23 27.819 10.292 -5.414 1.00 9.27 H
ATOM 395 HD1 TYR A 23 27.785 9.438 -7.850 1.00 10.63 H
ATOM 396 HD2 TYR A 23 24.614 11.894 -6.350 1.00 10.81 H
ATOM 397 HE1 TYR A 23 26.909 9.696 -10.142 1.00 11.58 H
ATOM 398 DE1 TYR A 23 24.638 12.063 -10.743 1.00 14.22 D
ATOM 399 HE2 TYR A 23 23.716 12.164 -8.754 1.00 11.77 H
ATOM 400 N ASN A 24 24.618 7.831 -5.550 1.00 7.53 N
ATOM 401 CA ASN A 24 24.473 6.511 -6.126 1.00 8.25 C
ATOM 402 C ASN A 24 24.533 6.730 -7.657 1.00 9.26 C
ATOM 403 O ASN A 24 23.605 7.147 -8.338 1.00 9.06 O
ATOM 404 CB ASN A 24 23.099 5.973 -5.764 1.00 9.60 C
ATOM 405 CG ASN A 24 22.895 4.611 -6.330 1.00 10.11 C
ATOM 406 OD1 ASN A 24 23.537 4.204 -7.313 1.00 13.10 O
ATOM 407 ND2 ASN A 24 21.966 3.903 -5.800 1.00 12.51 N
ATOM 408 H ASN A 24 23.768 8.406 -5.560 1.00 7.95 H
ATOM 409 HA ASN A 24 25.252 5.817 -5.749 1.00 7.93 H
ATOM 410 HB2 ASN A 24 23.193 5.827 -4.660 1.00 8.09 H
ATOM 411 HB3 ASN A 24 22.291 6.679 -5.844 1.00 9.60 H
ATOM 412 DD21 ASN A 24 21.767 2.914 -6.106 1.00 12.19 D
ATOM 413 DD22 ASN A 24 21.419 4.231 -5.010 1.00 11.93 D
ATOM 414 N ALA A 25 25.690 6.499 -8.244 1.00 10.90 N
ATOM 415 CA ALA A 25 25.937 6.771 -9.710 1.00 12.18 C
ATOM 416 C ALA A 25 25.108 5.883 -10.665 1.00 11.03 C
ATOM 417 O ALA A 25 24.972 6.315 -11.816 1.00 12.22 O
ATOM 418 CB ALA A 25 27.438 6.846 -9.903 1.00 11.38 C
ATOM 419 D ALA A 25 26.523 6.274 -7.738 1.00 10.47 D
ATOM 420 HA ALA A 25 25.558 7.786 -9.716 1.00 11.28 H
ATOM 421 HB1 ALA A 25 28.036 7.257 -9.107 1.00 12.88 H
ATOM 422 HB2 ALA A 25 27.681 5.764 -9.848 1.00 12.72 H
ATOM 423 HB3 ALA A 25 27.740 7.086 -10.895 1.00 12.70 H
ATOM 424 N LYS A 26 24.672 4.739 -10.226 1.00 10.74 N
ATOM 425 CA LYS A 26 23.844 3.843 -10.944 1.00 13.89 C
ATOM 426 C LYS A 26 22.458 4.414 -11.053 1.00 13.64 C
ATOM 427 O LYS A 26 21.776 4.419 -12.113 1.00 15.07 O
ATOM 428 CB LYS A 26 23.873 2.469 -10.338 1.00 18.92 C
ATOM 429 CG LYS A 26 22.897 1.688 -11.164 1.00 23.44 C
ATOM 430 CD LYS A 26 23.134 0.220 -10.987 1.00 28.41 C
ATOM 431 CE LYS A 26 21.883 -0.282 -11.734 1.00 33.13 C
ATOM 432 NZ LYS A 26 21.699 -1.653 -11.140 1.00 36.26 N
ATOM 433 D LYS A 26 24.811 4.482 -9.301 1.00 12.45 D
ATOM 434 HA LYS A 26 24.244 3.768 -11.951 1.00 13.36 H
ATOM 435 HB2 LYS A 26 24.904 2.072 -10.313 1.00 18.73 H
ATOM 436 HB3 LYS A 26 23.584 2.461 -9.286 1.00 18.71 H
ATOM 437 HG2 LYS A 26 21.821 1.865 -11.054 1.00 23.71 H
ATOM 438 HG3 LYS A 26 23.032 1.822 -12.264 1.00 23.90 H
ATOM 439 HD2 LYS A 26 23.995 -0.194 -11.474 1.00 28.42 H
ATOM 440 HD3 LYS A 26 23.120 -0.106 -9.964 1.00 28.28 H
ATOM 441 HE2 LYS A 26 21.046 0.350 -11.524 1.00 32.48 H
ATOM 442 HE3 LYS A 26 22.160 -0.402 -12.753 1.00 32.27 H
ATOM 443 DZ1 LYS A 26 21.593 -1.586 -10.094 1.00 36.90 D
ATOM 444 DZ2 LYS A 26 20.761 -1.979 -11.479 1.00 37.12 D
ATOM 445 DZ3 LYS A 26 22.527 -2.262 -11.359 1.00 36.55 D
ATOM 446 N ALA A 27 21.931 5.074 -10.038 1.00 13.18 N
ATOM 447 CA ALA A 27 20.576 5.701 -10.043 1.00 11.76 C
ATOM 448 C ALA A 27 20.606 7.178 -10.432 1.00 10.74 C
ATOM 449 O ALA A 27 19.595 7.768 -10.820 1.00 11.30 O
ATOM 450 CB ALA A 27 20.054 5.625 -8.612 1.00 12.78 C
ATOM 451 D ALA A 27 22.488 5.076 -9.180 1.00 15.23 D
ATOM 452 HA ALA A 27 20.090 5.015 -10.727 1.00 12.71 H
ATOM 453 HB1 ALA A 27 20.772 6.088 -7.962 1.00 11.38 H
ATOM 454 HB2 ALA A 27 19.100 6.124 -8.555 1.00 11.24 H
ATOM 455 HB3 ALA A 27 20.011 4.596 -8.261 1.00 11.11 H
ATOM 456 N GLY A 28 21.752 7.848 -10.373 1.00 9.60 N
ATOM 457 CA GLY A 28 21.970 9.249 -10.618 1.00 10.58 C
ATOM 458 C GLY A 28 21.292 10.175 -9.591 1.00 11.69 C
ATOM 459 O GLY A 28 20.947 11.316 -9.904 1.00 12.66 O
ATOM 460 D GLY A 28 22.531 7.298 -10.049 1.00 11.71 D
ATOM 461 HA2 GLY A 28 22.992 9.579 -10.730 1.00 10.85 H
ATOM 462 HA3 GLY A 28 21.483 9.541 -11.578 1.00 10.66 H
ATOM 463 N LEU A 29 21.201 9.723 -8.370 1.00 11.42 N
ATOM 464 CA LEU A 29 20.589 10.458 -7.271 1.00 13.44 C
ATOM 465 C LEU A 29 21.437 10.194 -6.009 1.00 10.49 C
ATOM 466 O LEU A 29 22.077 9.168 -5.914 1.00 11.18 O
ATOM 467 CB LEU A 29 19.233 9.682 -6.932 1.00 15.84 C
ATOM 468 CG LEU A 29 18.126 9.639 -7.924 1.00 17.24 C
ATOM 469 CD1 LEU A 29 16.897 8.857 -7.584 1.00 18.29 C
ATOM 470 CD2 LEU A 29 17.548 11.015 -8.232 1.00 18.39 C
ATOM 471 D LEU A 29 21.510 8.788 -8.071 1.00 11.84 D
ATOM 472 HA LEU A 29 20.311 11.468 -7.252 1.00 13.35 H
ATOM 473 HB2 LEU A 29 19.436 8.685 -6.548 1.00 15.95 H
ATOM 474 HB3 LEU A 29 18.858 10.134 -5.977 1.00 15.40 H
ATOM 475 HG LEU A 29 18.531 9.305 -8.886 1.00 17.16 H
ATOM 476 HD11 LEU A 29 16.985 7.826 -7.316 1.00 17.17 H
ATOM 477 HD12 LEU A 29 16.567 9.316 -6.642 1.00 17.13 H
ATOM 478 HD13 LEU A 29 16.204 9.016 -8.386 1.00 17.35 H
ATOM 479 HD21 LEU A 29 18.381 11.675 -8.464 1.00 17.08 H
ATOM 480 HD22 LEU A 29 16.837 10.957 -9.047 1.00 17.51 H
ATOM 481 HD23 LEU A 29 17.112 11.417 -7.289 1.00 16.97 H
ATOM 482 N CYS A 30 21.289 11.133 -5.121 1.00 10.45 N
ATOM 483 CA CYS A 30 21.875 11.033 -3.734 1.00 10.30 C
ATOM 484 C CYS A 30 20.869 10.289 -2.850 1.00 10.76 C
ATOM 485 O CYS A 30 19.639 10.651 -2.961 1.00 12.39 O
ATOM 486 CB CYS A 30 22.103 12.439 -3.217 1.00 10.60 C
ATOM 487 SG CYS A 30 23.486 13.149 -4.087 1.00 11.79 S
ATOM 488 D CYS A 30 20.752 11.960 -5.175 1.00 11.99 D
ATOM 489 HA CYS A 30 22.835 10.632 -3.940 1.00 10.70 H
ATOM 490 HB2 CYS A 30 21.141 12.922 -3.348 1.00 11.15 H
ATOM 491 HB3 CYS A 30 22.434 12.440 -2.188 1.00 10.30 H
ATOM 492 N GLN A 31 21.336 9.324 -2.086 1.00 8.79 N
ATOM 493 CA GLN A 31 20.508 8.474 -1.259 1.00 10.62 C
ATOM 494 C GLN A 31 21.184 8.402 0.118 1.00 10.68 C
ATOM 495 O GLN A 31 22.328 8.784 0.291 1.00 10.44 O
ATOM 496 CB GLN A 31 20.354 7.087 -1.858 1.00 11.67 C
ATOM 497 CG GLN A 31 19.623 7.119 -3.183 1.00 13.65 C
ATOM 498 CD GLN A 31 19.594 5.767 -3.853 1.00 14.34 C
ATOM 499 OE1 GLN A 31 20.395 4.867 -3.653 1.00 15.59 O
ATOM 500 NE2 GLN A 31 18.531 5.618 -4.678 1.00 18.68 N
ATOM 501 H GLN A 31 22.343 9.128 -2.125 1.00 11.77 H
ATOM 502 HA GLN A 31 19.517 8.874 -1.128 1.00 10.53 H
ATOM 503 HB2 GLN A 31 21.356 6.648 -2.002 1.00 13.07 H
ATOM 504 HB3 GLN A 31 19.931 6.372 -1.113 1.00 11.96 H
ATOM 505 HG2 GLN A 31 18.690 7.661 -3.311 1.00 12.84 H
ATOM 506 HG3 GLN A 31 20.219 7.714 -3.916 1.00 11.88 H
ATOM 507 DE21 GLN A 31 18.411 4.689 -5.135 1.00 15.66 D
ATOM 508 DE22 GLN A 31 17.891 6.434 -4.778 1.00 15.36 D
ATOM 509 N THR A 32 20.404 7.934 1.103 1.00 11.66 N
ATOM 510 CA THR A 32 20.941 7.836 2.490 1.00 11.14 C
ATOM 511 C THR A 32 21.590 6.489 2.656 1.00 10.29 C
ATOM 512 O THR A 32 21.401 5.428 2.076 1.00 11.74 O
ATOM 513 CB THR A 32 19.849 8.116 3.568 1.00 11.90 C
ATOM 514 OG1 THR A 32 18.807 7.216 3.348 1.00 14.39 O
ATOM 515 CG2 THR A 32 19.240 9.473 3.369 1.00 13.60 C
ATOM 516 D THR A 32 19.456 7.621 0.938 1.00 10.82 D
ATOM 517 HA THR A 32 21.592 8.681 2.741 1.00 11.72 H
ATOM 518 HB THR A 32 20.326 8.080 4.568 1.00 13.24 H
ATOM 519 DG1 THR A 32 19.288 6.347 3.409 1.00 15.34 D
ATOM 520 HG21 THR A 32 18.775 9.734 2.409 1.00 12.24 H
ATOM 521 HG22 THR A 32 18.605 9.634 4.256 1.00 12.28 H
ATOM 522 HG23 THR A 32 19.988 10.264 3.585 1.00 13.01 H
ATOM 523 N PHE A 33 22.506 6.456 3.619 1.00 9.22 N
ATOM 524 CA PHE A 33 23.207 5.275 4.060 1.00 9.74 C
ATOM 525 C PHE A 33 23.550 5.541 5.559 1.00 9.40 C
ATOM 526 O PHE A 33 23.556 6.640 6.034 1.00 10.22 O
ATOM 527 CB PHE A 33 24.434 4.964 3.270 1.00 9.26 C
ATOM 528 CG PHE A 33 25.710 5.682 3.555 1.00 9.20 C
ATOM 529 CD1 PHE A 33 26.781 5.095 4.224 1.00 10.68 C
ATOM 530 CD2 PHE A 33 25.843 6.975 3.069 1.00 10.04 C
ATOM 531 CE1 PHE A 33 27.946 5.766 4.445 1.00 8.91 C
ATOM 532 CE2 PHE A 33 27.014 7.710 3.271 1.00 10.37 C
ATOM 533 CZ PHE A 33 28.008 7.053 3.984 1.00 9.71 C
ATOM 534 H PHE A 33 22.695 7.266 4.199 1.00 11.07 H
ATOM 535 HA PHE A 33 22.613 4.388 3.918 1.00 9.08 H
ATOM 536 HB2 PHE A 33 24.660 3.891 3.281 1.00 8.91 H
ATOM 537 HB3 PHE A 33 24.191 5.223 2.224 1.00 10.11 H
ATOM 538 HD1 PHE A 33 26.642 4.136 4.599 1.00 10.02 H
ATOM 539 HD2 PHE A 33 25.041 7.396 2.488 1.00 10.10 H
ATOM 540 HE1 PHE A 33 28.767 5.394 5.011 1.00 10.09 H
ATOM 541 HE2 PHE A 33 27.164 8.641 2.902 1.00 9.74 H
ATOM 542 HZ PHE A 33 28.943 7.600 4.146 1.00 9.76 H
ATOM 543 N VAL A 34 23.923 4.477 6.205 1.00 11.69 N
ATOM 544 CA VAL A 34 24.349 4.496 7.646 1.00 11.33 C
ATOM 545 C VAL A 34 25.894 4.524 7.711 1.00 10.54 C
ATOM 546 O VAL A 34 26.638 3.625 7.263 1.00 11.75 O
ATOM 547 CB VAL A 34 23.771 3.242 8.364 1.00 13.85 C
ATOM 548 CG1 VAL A 34 24.190 3.382 9.822 1.00 15.43 C
ATOM 549 CG2 VAL A 34 22.264 3.291 8.258 1.00 14.03 C
ATOM 550 D VAL A 34 23.874 3.555 5.766 1.00 10.86 D
ATOM 551 HA VAL A 34 23.896 5.373 8.063 1.00 13.01 H
ATOM 552 HB VAL A 34 24.145 2.394 7.767 1.00 14.28 H
ATOM 553 HG11 VAL A 34 25.215 3.495 10.080 1.00 14.34 H
ATOM 554 HG12 VAL A 34 23.715 4.342 10.087 1.00 14.17 H
ATOM 555 HG13 VAL A 34 23.671 2.771 10.508 1.00 14.55 H
ATOM 556 HG21 VAL A 34 21.923 3.399 7.220 1.00 13.82 H
ATOM 557 HG22 VAL A 34 21.859 2.299 8.478 1.00 13.92 H
ATOM 558 HG23 VAL A 34 21.693 4.035 8.788 1.00 14.12 H
ATOM 559 N TYR A 35 26.387 5.631 8.231 1.00 8.67 N
ATOM 560 CA TYR A 35 27.814 5.860 8.458 1.00 8.52 C
ATOM 561 C TYR A 35 28.085 5.455 9.938 1.00 9.39 C
ATOM 562 O TYR A 35 27.356 5.880 10.841 1.00 10.05 O
ATOM 563 CB TYR A 35 28.111 7.355 8.111 1.00 9.40 C
ATOM 564 CG TYR A 35 29.487 7.835 8.503 1.00 9.39 C
ATOM 565 CD1 TYR A 35 30.614 7.095 8.174 1.00 9.35 C
ATOM 566 CD2 TYR A 35 29.613 8.943 9.313 1.00 9.32 C
ATOM 567 CE1 TYR A 35 31.862 7.506 8.619 1.00 9.35 C
ATOM 568 CE2 TYR A 35 30.895 9.387 9.715 1.00 9.94 C
ATOM 569 CZ TYR A 35 31.977 8.641 9.373 1.00 10.13 C
ATOM 570 OH TYR A 35 33.198 9.064 9.803 1.00 11.76 O
ATOM 571 H TYR A 35 25.808 6.359 8.604 1.00 10.82 H
ATOM 572 HA TYR A 35 28.395 5.346 7.704 1.00 8.94 H
ATOM 573 HB2 TYR A 35 28.076 7.240 7.047 1.00 9.25 H
ATOM 574 HB3 TYR A 35 27.271 7.909 8.560 1.00 9.74 H
ATOM 575 HD1 TYR A 35 30.545 6.205 7.538 1.00 9.98 H
ATOM 576 HD2 TYR A 35 28.750 9.553 9.589 1.00 10.16 H
ATOM 577 HE1 TYR A 35 32.771 6.952 8.307 1.00 10.27 H
ATOM 578 DE1 TYR A 35 33.644 9.848 9.469 1.00 13.94 D
ATOM 579 HE2 TYR A 35 30.943 10.289 10.353 1.00 9.68 H
ATOM 580 N GLY A 36 29.181 4.741 10.152 1.00 9.59 N
ATOM 581 CA GLY A 36 29.544 4.252 11.487 1.00 9.91 C
ATOM 582 C GLY A 36 30.219 5.242 12.389 1.00 9.25 C
ATOM 583 O GLY A 36 30.414 4.897 13.554 1.00 9.95 O
ATOM 584 D GLY A 36 29.796 4.369 9.440 1.00 10.72 D
ATOM 585 HA2 GLY A 36 28.569 4.035 11.938 1.00 9.21 H
ATOM 586 HA3 GLY A 36 29.951 3.244 11.467 1.00 9.63 H
ATOM 587 N GLY A 37 30.587 6.373 11.911 1.00 8.45 N
ATOM 588 CA GLY A 37 31.172 7.377 12.736 1.00 10.39 C
ATOM 589 C GLY A 37 32.637 7.664 12.699 1.00 10.61 C
ATOM 590 O GLY A 37 33.098 8.624 13.380 1.00 13.37 O
ATOM 591 H GLY A 37 30.371 6.645 10.927 1.00 9.53 H
ATOM 592 HA2 GLY A 37 30.644 8.301 12.496 1.00 10.62 H
ATOM 593 HA3 GLY A 37 30.965 7.251 13.816 1.00 9.36 H
ATOM 594 N CYS A 38 33.387 6.871 11.999 1.00 10.95 N
ATOM 595 CA CYS A 38 34.813 7.212 11.868 1.00 11.65 C
ATOM 596 C CYS A 38 35.267 6.763 10.481 1.00 12.05 C
ATOM 597 O CYS A 38 34.729 5.808 9.860 1.00 11.60 O
ATOM 598 CB CYS A 38 35.702 6.466 12.895 1.00 12.40 C
ATOM 599 SG CYS A 38 35.719 4.684 12.827 1.00 12.21 S
ATOM 600 D CYS A 38 33.052 6.073 11.478 1.00 11.38 D
ATOM 601 HA CYS A 38 34.828 8.254 12.105 1.00 12.48 H
ATOM 602 HB2 CYS A 38 36.717 6.782 12.719 1.00 11.84 H
ATOM 603 HB3 CYS A 38 35.376 6.694 13.914 1.00 11.11 H
ATOM 604 N ARG A 39 36.341 7.375 10.042 1.00 12.46 N
ATOM 605 CA ARG A 39 37.025 7.056 8.805 1.00 14.63 C
ATOM 606 C ARG A 39 36.187 7.227 7.520 1.00 12.13 C
ATOM 607 O ARG A 39 36.332 6.391 6.640 1.00 13.93 O
ATOM 608 CB ARG A 39 37.538 5.625 8.866 1.00 18.16 C
ATOM 609 CG ARG A 39 38.516 5.562 10.066 1.00 22.63 C
ATOM 610 CD ARG A 39 39.107 4.166 10.098 1.00 26.10 C
ATOM 611 NE ARG A 39 39.805 4.035 11.371 1.00 30.83 N
ATOM 612 CZ ARG A 39 40.590 3.032 11.775 1.00 32.34 C
ATOM 613 NH1 ARG A 39 40.823 1.964 11.024 1.00 33.18 N
ATOM 614 NH2 ARG A 39 41.144 3.105 12.987 1.00 33.57 N
ATOM 615 D ARG A 39 36.670 8.142 10.540 1.00 12.82 D
ATOM 616 HA ARG A 39 37.858 7.741 8.595 1.00 13.15 H
ATOM 617 HB2 ARG A 39 36.821 4.846 9.058 1.00 18.94 H
ATOM 618 HB3 ARG A 39 38.127 5.322 8.011 1.00 18.72 H
ATOM 619 HG2 ARG A 39 39.277 6.303 10.090 1.00 22.77 H
ATOM 620 HG3 ARG A 39 38.016 5.637 10.981 1.00 22.29 H
ATOM 621 HD2 ARG A 39 38.282 3.473 10.078 1.00 26.48 H
ATOM 622 HD3 ARG A 39 39.633 4.052 9.207 1.00 26.96 H
ATOM 623 DE ARG A 39 39.685 4.801 12.039 1.00 31.59 D
ATOM 624 DH11 ARG A 39 40.376 1.948 10.092 1.00 32.83 D
ATOM 625 DH12 ARG A 39 41.429 1.235 11.413 1.00 32.46 D
ATOM 626 DH21 ARG A 39 41.037 3.833 13.662 1.00 33.14 D
ATOM 627 DH22 ARG A 39 41.738 2.325 13.284 1.00 33.33 D
ATOM 628 N ALA A 40 35.456 8.280 7.530 1.00 11.13 N
ATOM 629 CA ALA A 40 34.631 8.632 6.385 1.00 12.22 C
ATOM 630 C ALA A 40 35.497 8.734 5.135 1.00 13.37 C
ATOM 631 O ALA A 40 36.687 9.115 5.137 1.00 14.12 O
ATOM 632 CB ALA A 40 33.941 9.981 6.542 1.00 11.96 C
ATOM 633 D ALA A 40 35.340 8.972 8.208 1.00 12.73 D
ATOM 634 HA ALA A 40 33.879 7.870 6.308 1.00 12.14 H
ATOM 635 HB1 ALA A 40 34.528 10.829 6.846 1.00 12.60 H
ATOM 636 HB2 ALA A 40 33.456 10.198 5.563 1.00 12.13 H
ATOM 637 HB3 ALA A 40 33.155 9.774 7.271 1.00 11.94 H
ATOM 638 N LYS A 41 34.889 8.428 4.019 1.00 12.73 N
ATOM 639 CA LYS A 41 35.456 8.549 2.638 1.00 12.34 C
ATOM 640 C LYS A 41 34.782 9.775 2.026 1.00 11.42 C
ATOM 641 O LYS A 41 33.938 10.501 2.638 1.00 12.35 O
ATOM 642 CB LYS A 41 35.426 7.283 1.843 1.00 15.66 C
ATOM 643 CG LYS A 41 36.330 6.177 2.314 1.00 17.23 C
ATOM 644 CD LYS A 41 36.220 4.925 1.492 1.00 21.83 C
ATOM 645 CE LYS A 41 36.972 3.830 2.249 1.00 24.86 C
ATOM 646 NZ LYS A 41 38.430 4.086 2.238 1.00 26.80 N
ATOM 647 D LYS A 41 33.904 8.208 4.062 1.00 14.44 D
ATOM 648 HA LYS A 41 36.456 8.823 2.962 1.00 13.22 H
ATOM 649 HB2 LYS A 41 34.348 7.148 1.817 1.00 14.20 H
ATOM 650 HB3 LYS A 41 35.594 7.443 0.755 1.00 14.27 H
ATOM 651 HG2 LYS A 41 37.409 6.485 2.376 1.00 18.75 H
ATOM 652 HG3 LYS A 41 36.049 5.955 3.369 1.00 17.95 H
ATOM 653 HD2 LYS A 41 35.216 4.451 1.494 1.00 20.99 H
ATOM 654 HD3 LYS A 41 36.531 4.849 0.453 1.00 21.24 H
ATOM 655 HE2 LYS A 41 36.740 3.973 3.315 1.00 24.44 H
ATOM 656 HE3 LYS A 41 36.742 2.821 1.974 1.00 24.67 H
ATOM 657 DZ1 LYS A 41 38.697 5.072 2.091 1.00 27.28 D
ATOM 658 DZ2 LYS A 41 38.774 3.778 3.195 1.00 28.13 D
ATOM 659 DZ3 LYS A 41 38.960 3.393 1.688 1.00 27.94 D
ATOM 660 N ARG A 42 35.115 10.128 0.777 1.00 9.56 N
ATOM 661 CA ARG A 42 34.659 11.372 0.167 1.00 9.93 C
ATOM 662 C ARG A 42 33.178 11.332 -0.259 1.00 7.40 C
ATOM 663 O ARG A 42 32.599 12.401 -0.162 1.00 9.71 O
ATOM 664 CB ARG A 42 35.554 11.797 -0.960 1.00 10.35 C
ATOM 665 CG ARG A 42 36.918 12.265 -0.568 1.00 13.91 C
ATOM 666 CD ARG A 42 37.957 12.565 -1.588 1.00 15.78 C
ATOM 667 NE ARG A 42 38.393 11.235 -1.972 1.00 21.96 N
ATOM 668 CZ ARG A 42 39.092 10.993 -3.114 1.00 24.68 C
ATOM 669 NH1 ARG A 42 39.486 11.979 -3.942 1.00 25.19 N
ATOM 670 NH2 ARG A 42 39.446 9.734 -3.428 1.00 26.22 N
ATOM 671 D ARG A 42 35.813 9.575 0.318 1.00 11.76 D
ATOM 672 HA ARG A 42 34.712 12.168 0.950 1.00 8.89 H
ATOM 673 HB2 ARG A 42 35.629 10.967 -1.690 1.00 11.16 H
ATOM 674 HB3 ARG A 42 35.017 12.458 -1.640 1.00 11.51 H
ATOM 675 HG2 ARG A 42 36.981 13.025 0.221 1.00 12.33 H
ATOM 676 HG3 ARG A 42 37.355 11.538 0.099 1.00 11.94 H
ATOM 677 HD2 ARG A 42 37.373 13.009 -2.423 1.00 17.32 H
ATOM 678 HD3 ARG A 42 38.645 13.283 -1.256 1.00 17.71 H
ATOM 679 DE ARG A 42 38.164 10.450 -1.415 1.00 22.92 D
ATOM 680 DH11 ARG A 42 40.007 11.665 -4.784 1.00 24.97 D
ATOM 681 DH12 ARG A 42 39.258 12.965 -3.814 1.00 24.43 D
ATOM 682 DH21 ARG A 42 39.244 8.893 -2.906 1.00 25.17 D
ATOM 683 DH22 ARG A 42 39.963 9.580 -4.300 1.00 25.13 D
ATOM 684 N ASN A 43 32.662 10.208 -0.618 1.00 7.80 N
ATOM 685 CA ASN A 43 31.235 10.157 -1.075 1.00 7.75 C
ATOM 686 C ASN A 43 30.363 9.898 0.175 1.00 7.34 C
ATOM 687 O ASN A 43 29.830 8.807 0.431 1.00 7.64 O
ATOM 688 CB ASN A 43 31.158 9.006 -2.072 1.00 8.94 C
ATOM 689 CG ASN A 43 29.799 9.033 -2.770 1.00 8.97 C
ATOM 690 OD1 ASN A 43 29.002 9.968 -2.653 1.00 9.17 O
ATOM 691 ND2 ASN A 43 29.533 8.007 -3.503 1.00 10.14 N
ATOM 692 D ASN A 43 33.214 9.377 -0.662 1.00 8.50 D