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TITLE HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF A SINGLE
TITLE 2 ZINC FINGER FROM A HUMAN ENHANCER BINDING PROTEIN IN
TITLE 3 SOLUTION
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ZINC FINGER;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606
KEYWDS ZINC FINGER DNA BINDING DOMAIN
EXPDTA SOLUTION NMR
AUTHOR A.M.GRONENBORN,G.M.CLORE,J.G.OMICHINSKI
REVDAT 2 24-FEB-09 3ZNF 1 VERSN
REVDAT 1 15-JAN-92 3ZNF 0
JRNL AUTH J.G.OMICHINSKI,G.M.CLORE,E.APPELLA,K.SAKAGUCHI,
JRNL AUTH 2 A.M.GRONENBORN
JRNL TITL HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF A
JRNL TITL 2 SINGLE ZINC FINGER FROM A HUMAN ENHANCER BINDING
JRNL TITL 3 PROTEIN IN SOLUTION.
JRNL REF BIOCHEMISTRY V. 29 9324 1990
JRNL REFN ISSN 0006-2960
JRNL PMID 2248949
JRNL DOI 10.1021/BI00492A004
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE 3D STRUCTURE OF THE ZINC FINGER IN SOLUTION
REMARK 3 BY NMR IS BASED ON 487 APPROXIMATE INTERPROTON DISTANCE
REMARK 3 RESTRAINTS AND 63 TORSION ANGLE RESTRAINTS DERIVED FROM
REMARK 3 NOE AND COUPLING CONSTANT MEASUREMENTS. THE STRUCTURES
REMARK 3 ARE CALCULATED USING THE HYBRID METRIC MATRIX DISTANCE
REMARK 3 GEOMETRY-DYNAMICAL SIMULATED ANNEALING METHOD DESCRIBED
REMARK 3 BY M. NILGES, G. M. CLORE, AND A. M. GRONENBORN (1988)
REMARK 3 FEBS LETT 229, 317.
REMARK 3
REMARK 3 THIS ENTRY REPRESENTS THE RESTRAINED MINIMIZED AVERAGE
REMARK 3 STRUCTURE (SA)$R DERIVED BY RESTRAINED LEAST SQUARE
REMARK 3 REFINEMENT OF THE MEAN STRUCTURE OBTAINED BY AVERAGING THE
REMARK 3 COORDINATES OF THE FINAL 41 SA STRUCTURES BEST FITTED TO
REMARK 3 EACH OTHER. THE ENTIRE SET OF 41 MODELS CAN BE FOUND IN
REMARK 3 PDB ENTRY 4ZNF.
REMARK 3
REMARK 3 THE FIELD IN THIS ENTRY THAT OCCUPIES COLUMNS 61 - 66
REMARK 3 (RESERVED FOR B-VALUES IN X-RAY CRYSTALLOGRAPHIC ENTRIES)
REMARK 3 GIVES THE AVERAGE RMS DIFFERENCE BETWEEN THE INDIVIDUAL SA
REMARK 3 STRUCTURES AND THE MEAN STRUCTURE.
REMARK 4
REMARK 4 3ZNF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 HIS A 4 CG HIS A 4 ND1 -0.116
REMARK 500 HIS A 27 CG HIS A 27 ND1 -0.097
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 PRO A 2 7.99 -63.19
REMARK 500 CYS A 5 162.84 -45.11
REMARK 500 TYR A 7 -76.00 -160.62
REMARK 500 CYS A 8 -160.70 -59.19
REMARK 500 PHE A 10 98.43 -67.63
REMARK 500 SER A 24 175.05 -50.15
REMARK 500 LYS A 25 29.47 -76.94
REMARK 500 ALA A 26 -92.79 -46.94
REMARK 500 HIS A 27 75.19 -176.11
REMARK 500 SER A 28 47.11 -165.44
REMARK 500 LYS A 29 39.34 -84.90
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 ARG A 1 0.30 SIDE_CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A 31 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HIS A 21 NE2
REMARK 620 2 HIS A 27 NE2 113.5
REMARK 620 3 CYS A 5 SG 110.8 111.3
REMARK 620 4 CYS A 8 SG 110.5 98.4 111.8
REMARK 620 N 1 2 3
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 31
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4ZNF RELATED DB: PDB
DBREF 3ZNF A 1 30 UNP P15822 ZEP1_HUMAN 2113 2142
SEQADV 3ZNF SER A 6 UNP P15822 THR 2118 CONFLICT
SEQRES 1 A 30 ARG PRO TYR HIS CYS SER TYR CYS ASN PHE SER PHE LYS
SEQRES 2 A 30 THR LYS GLY ASN LEU THR LYS HIS MET LYS SER LYS ALA
SEQRES 3 A 30 HIS SER LYS LYS
HET ZN A 31 1
HETNAM ZN ZINC ION
FORMUL 2 ZN ZN 2+
HELIX 1 1 THR A 14 SER A 24 1 11
LINK ZN ZN A 31 NE2 HIS A 21 1555 1555 2.00
LINK ZN ZN A 31 NE2 HIS A 27 1555 1555 2.02
LINK ZN ZN A 31 SG CYS A 5 1555 1555 2.30
LINK ZN ZN A 31 SG CYS A 8 1555 1555 2.30
SITE 1 AC1 4 CYS A 5 CYS A 8 HIS A 21 HIS A 27
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
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 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
ATOM 1 N ARG A 1 8.720 7.498 -2.122 1.00 1.06 N
ATOM 2 CA ARG A 1 9.087 6.276 -2.892 1.00 0.36 C
ATOM 3 C ARG A 1 7.960 5.964 -3.907 1.00 0.32 C
ATOM 4 O ARG A 1 6.837 6.391 -3.727 1.00 0.41 O
ATOM 5 CB ARG A 1 9.251 5.082 -1.939 1.00 0.69 C
ATOM 6 CG ARG A 1 10.726 4.934 -1.543 1.00 0.88 C
ATOM 7 CD ARG A 1 11.160 6.168 -0.749 1.00 0.66 C
ATOM 8 NE ARG A 1 12.590 6.016 -0.359 1.00 0.92 N
ATOM 9 CZ ARG A 1 12.967 6.355 0.843 1.00 0.73 C
ATOM 10 NH1 ARG A 1 12.632 5.592 1.848 1.00 1.15 N
ATOM 11 NH2 ARG A 1 13.666 7.447 1.002 1.00 1.64 N
ATOM 12 H1 ARG A 1 7.947 7.995 -2.609 1.00 1.70 H
ATOM 13 H2 ARG A 1 8.410 7.225 -1.167 1.00 1.84 H
ATOM 14 H3 ARG A 1 9.546 8.126 -2.052 1.00 0.73 H
ATOM 15 HA ARG A 1 10.007 6.461 -3.404 1.00 0.57 H
ATOM 16 HB2 ARG A 1 8.657 5.248 -1.054 1.00 0.97 H
ATOM 17 HB3 ARG A 1 8.912 4.179 -2.424 1.00 0.93 H
ATOM 18 HG2 ARG A 1 10.848 4.051 -0.933 1.00 1.22 H
ATOM 19 HG3 ARG A 1 11.337 4.836 -2.429 1.00 1.71 H
ATOM 20 HD2 ARG A 1 11.046 7.054 -1.355 1.00 1.76 H
ATOM 21 HD3 ARG A 1 10.555 6.263 0.141 1.00 0.92 H
ATOM 22 HE ARG A 1 13.243 5.665 -1.001 1.00 1.70 H
ATOM 23 HH11 ARG A 1 12.096 4.763 1.689 1.00 1.70 H
ATOM 24 HH12 ARG A 1 12.912 5.837 2.776 1.00 1.59 H
ATOM 25 HH21 ARG A 1 13.904 8.007 0.209 1.00 2.38 H
ATOM 26 HH22 ARG A 1 13.963 7.722 1.917 1.00 1.86 H
ATOM 27 N PRO A 2 8.280 5.230 -4.970 1.00 0.24 N
ATOM 28 CA PRO A 2 7.270 4.868 -5.977 1.00 0.27 C
ATOM 29 C PRO A 2 6.164 3.984 -5.369 1.00 0.27 C
ATOM 30 O PRO A 2 5.327 3.469 -6.084 1.00 0.32 O
ATOM 31 CB PRO A 2 8.032 4.080 -7.049 1.00 0.26 C
ATOM 32 CG PRO A 2 9.498 3.910 -6.548 1.00 0.25 C
ATOM 33 CD PRO A 2 9.646 4.746 -5.265 1.00 0.16 C
ATOM 34 HA PRO A 2 6.844 5.751 -6.416 1.00 0.33 H
ATOM 35 HB2 PRO A 2 7.576 3.110 -7.190 1.00 0.28 H
ATOM 36 HB3 PRO A 2 8.022 4.622 -7.983 1.00 0.28 H
ATOM 37 HG2 PRO A 2 9.696 2.870 -6.336 1.00 0.33 H
ATOM 38 HG3 PRO A 2 10.188 4.264 -7.300 1.00 0.30 H
ATOM 39 HD2 PRO A 2 10.015 4.139 -4.456 1.00 0.16 H
ATOM 40 HD3 PRO A 2 10.308 5.578 -5.446 1.00 0.21 H
ATOM 41 N TYR A 3 6.186 3.826 -4.065 1.00 0.20 N
ATOM 42 CA TYR A 3 5.144 2.968 -3.410 1.00 0.20 C
ATOM 43 C TYR A 3 4.625 3.617 -2.122 1.00 0.16 C
ATOM 44 O TYR A 3 5.112 3.332 -1.049 1.00 0.25 O
ATOM 45 CB TYR A 3 5.762 1.615 -3.072 1.00 0.20 C
ATOM 46 CG TYR A 3 6.078 0.872 -4.365 1.00 0.24 C
ATOM 47 CD1 TYR A 3 5.073 0.249 -5.075 1.00 0.22 C
ATOM 48 CD2 TYR A 3 7.370 0.814 -4.841 1.00 0.30 C
ATOM 49 CE1 TYR A 3 5.358 -0.424 -6.246 1.00 0.25 C
ATOM 50 CE2 TYR A 3 7.657 0.143 -6.011 1.00 0.33 C
ATOM 51 CZ TYR A 3 6.652 -0.482 -6.723 1.00 0.30 C
ATOM 52 OH TYR A 3 6.938 -1.154 -7.895 1.00 0.33 O
ATOM 53 H TYR A 3 6.879 4.257 -3.526 1.00 0.16 H
ATOM 54 HA TYR A 3 4.322 2.820 -4.087 1.00 0.23 H
ATOM 55 HB2 TYR A 3 6.674 1.757 -2.512 1.00 0.19 H
ATOM 56 HB3 TYR A 3 5.070 1.030 -2.486 1.00 0.21 H
ATOM 57 HD1 TYR A 3 4.054 0.285 -4.709 1.00 0.21 H
ATOM 58 HD2 TYR A 3 8.165 1.301 -4.295 1.00 0.33 H
ATOM 59 HE1 TYR A 3 4.562 -0.903 -6.794 1.00 0.24 H
ATOM 60 HE2 TYR A 3 8.674 0.104 -6.371 1.00 0.39 H
ATOM 61 HH TYR A 3 6.196 -1.039 -8.491 1.00 0.90 H
ATOM 62 N HIS A 4 3.644 4.475 -2.263 1.00 0.04 N
ATOM 63 CA HIS A 4 3.054 5.150 -1.060 1.00 0.04 C
ATOM 64 C HIS A 4 1.563 4.809 -0.954 1.00 0.08 C
ATOM 65 O HIS A 4 0.840 4.891 -1.926 1.00 0.17 O
ATOM 66 CB HIS A 4 3.218 6.663 -1.197 1.00 0.06 C
ATOM 67 CG HIS A 4 4.593 7.076 -0.670 1.00 0.09 C
ATOM 68 ND1 HIS A 4 4.796 8.001 0.151 1.00 0.19 N
ATOM 69 CD2 HIS A 4 5.842 6.563 -0.956 1.00 0.14 C
ATOM 70 CE1 HIS A 4 6.033 8.124 0.411 1.00 0.19 C
ATOM 71 NE2 HIS A 4 6.779 7.246 -0.254 1.00 0.14 N
ATOM 72 H HIS A 4 3.297 4.677 -3.157 1.00 0.05 H
ATOM 73 HA HIS A 4 3.560 4.816 -0.171 1.00 0.04 H
ATOM 74 HB2 HIS A 4 3.136 6.945 -2.236 1.00 0.05 H
ATOM 75 HB3 HIS A 4 2.452 7.168 -0.629 1.00 0.10 H
ATOM 76 HD1 HIS A 4 4.091 8.558 0.543 1.00 0.29 H
ATOM 77 HD2 HIS A 4 6.040 5.741 -1.625 1.00 0.24 H
ATOM 78 HE1 HIS A 4 6.434 8.852 1.098 1.00 0.28 H
ATOM 79 N CYS A 5 1.132 4.434 0.221 1.00 0.05 N
ATOM 80 CA CYS A 5 -0.319 4.082 0.382 1.00 0.06 C
ATOM 81 C CYS A 5 -1.230 5.113 -0.302 1.00 0.09 C
ATOM 82 O CYS A 5 -0.817 6.213 -0.613 1.00 0.10 O
ATOM 83 CB CYS A 5 -0.690 4.026 1.864 1.00 0.06 C
ATOM 84 SG CYS A 5 -2.456 4.251 2.244 1.00 0.12 S
ATOM 85 H CYS A 5 1.754 4.380 0.990 1.00 0.10 H
ATOM 86 HA CYS A 5 -0.495 3.115 -0.057 1.00 0.05 H
ATOM 87 HB2 CYS A 5 -0.375 3.068 2.254 1.00 0.04 H
ATOM 88 HB3 CYS A 5 -0.138 4.795 2.385 1.00 0.08 H
ATOM 89 N SER A 6 -2.460 4.714 -0.516 1.00 0.11 N
ATOM 90 CA SER A 6 -3.455 5.635 -1.149 1.00 0.15 C
ATOM 91 C SER A 6 -4.189 6.402 -0.046 1.00 0.11 C
ATOM 92 O SER A 6 -5.261 6.936 -0.251 1.00 0.12 O
ATOM 93 CB SER A 6 -4.459 4.798 -1.946 1.00 0.17 C
ATOM 94 OG SER A 6 -3.788 4.521 -3.166 1.00 0.27 O
ATOM 95 H SER A 6 -2.729 3.807 -0.260 1.00 0.12 H
ATOM 96 HA SER A 6 -2.957 6.322 -1.801 1.00 0.22 H
ATOM 97 HB2 SER A 6 -4.683 3.877 -1.428 1.00 0.15 H
ATOM 98 HB3 SER A 6 -5.365 5.354 -2.132 1.00 0.18 H
ATOM 99 HG SER A 6 -3.562 3.588 -3.175 1.00 0.63 H
ATOM 100 N TYR A 7 -3.572 6.438 1.097 1.00 0.12 N
ATOM 101 CA TYR A 7 -4.183 7.116 2.276 1.00 0.11 C
ATOM 102 C TYR A 7 -3.089 7.427 3.295 1.00 0.12 C
ATOM 103 O TYR A 7 -2.658 8.556 3.426 1.00 0.15 O
ATOM 104 CB TYR A 7 -5.224 6.183 2.905 1.00 0.08 C
ATOM 105 CG TYR A 7 -6.382 5.983 1.922 1.00 0.11 C
ATOM 106 CD1 TYR A 7 -7.458 6.846 1.919 1.00 0.14 C
ATOM 107 CD2 TYR A 7 -6.361 4.935 1.024 1.00 0.18 C
ATOM 108 CE1 TYR A 7 -8.497 6.663 1.030 1.00 0.21 C
ATOM 109 CE2 TYR A 7 -7.396 4.754 0.135 1.00 0.24 C
ATOM 110 CZ TYR A 7 -8.474 5.616 0.130 1.00 0.26 C
ATOM 111 OH TYR A 7 -9.512 5.434 -0.760 1.00 0.33 O
ATOM 112 H TYR A 7 -2.687 6.034 1.179 1.00 0.15 H
ATOM 113 HA TYR A 7 -4.652 8.022 1.971 1.00 0.13 H
ATOM 114 HB2 TYR A 7 -4.776 5.230 3.121 1.00 0.12 H
ATOM 115 HB3 TYR A 7 -5.599 6.614 3.819 1.00 0.09 H
ATOM 116 HD1 TYR A 7 -7.488 7.670 2.617 1.00 0.14 H
ATOM 117 HD2 TYR A 7 -5.526 4.250 1.020 1.00 0.20 H
ATOM 118 HE1 TYR A 7 -9.335 7.345 1.038 1.00 0.25 H
ATOM 119 HE2 TYR A 7 -7.351 3.946 -0.577 1.00 0.30 H
ATOM 120 HH TYR A 7 -9.847 6.300 -1.007 1.00 0.43 H
ATOM 121 N CYS A 8 -2.660 6.415 3.995 1.00 0.10 N
ATOM 122 CA CYS A 8 -1.569 6.633 4.995 1.00 0.11 C
ATOM 123 C CYS A 8 -0.344 7.174 4.292 1.00 0.11 C
ATOM 124 O CYS A 8 -0.415 7.695 3.196 1.00 0.17 O
ATOM 125 CB CYS A 8 -1.134 5.307 5.644 1.00 0.12 C
ATOM 126 SG CYS A 8 -2.370 4.064 6.046 1.00 0.08 S
ATOM 127 H CYS A 8 -3.053 5.532 3.869 1.00 0.09 H
ATOM 128 HA CYS A 8 -1.893 7.322 5.756 1.00 0.11 H
ATOM 129 HB2 CYS A 8 -0.417 4.840 4.983 1.00 0.17 H
ATOM 130 HB3 CYS A 8 -0.613 5.545 6.560 1.00 0.43 H
ATOM 131 N ASN A 9 0.756 7.031 4.959 1.00 0.04 N
ATOM 132 CA ASN A 9 2.046 7.443 4.373 1.00 0.03 C
ATOM 133 C ASN A 9 2.977 6.240 4.449 1.00 0.05 C
ATOM 134 O ASN A 9 4.184 6.371 4.439 1.00 0.08 O
ATOM 135 CB ASN A 9 2.635 8.605 5.163 1.00 0.02 C
ATOM 136 CG ASN A 9 3.850 9.145 4.410 1.00 0.05 C
ATOM 137 OD1 ASN A 9 4.490 10.088 4.832 1.00 0.11 O
ATOM 138 ND2 ASN A 9 4.201 8.573 3.287 1.00 0.04 N
ATOM 139 H ASN A 9 0.731 6.652 5.864 1.00 0.05 H
ATOM 140 HA ASN A 9 1.909 7.729 3.344 1.00 0.06 H
ATOM 141 HB2 ASN A 9 1.900 9.390 5.267 1.00 0.05 H
ATOM 142 HB3 ASN A 9 2.940 8.268 6.143 1.00 0.04 H
ATOM 143 HD21 ASN A 9 3.685 7.809 2.941 1.00 0.05 H
ATOM 144 HD22 ASN A 9 4.977 8.906 2.790 1.00 0.07 H
ATOM 145 N PHE A 10 2.370 5.077 4.527 1.00 0.05 N
ATOM 146 CA PHE A 10 3.168 3.836 4.622 1.00 0.10 C
ATOM 147 C PHE A 10 3.907 3.619 3.312 1.00 0.14 C
ATOM 148 O PHE A 10 3.350 3.138 2.355 1.00 0.30 O
ATOM 149 CB PHE A 10 2.227 2.662 4.912 1.00 0.16 C
ATOM 150 CG PHE A 10 2.973 1.606 5.729 1.00 0.21 C
ATOM 151 CD1 PHE A 10 3.924 0.795 5.134 1.00 0.25 C
ATOM 152 CD2 PHE A 10 2.706 1.452 7.077 1.00 0.23 C
ATOM 153 CE1 PHE A 10 4.594 -0.155 5.877 1.00 0.29 C
ATOM 154 CE2 PHE A 10 3.379 0.502 7.819 1.00 0.28 C
ATOM 155 CZ PHE A 10 4.321 -0.301 7.218 1.00 0.30 C
ATOM 156 H PHE A 10 1.389 5.027 4.494 1.00 0.02 H
ATOM 157 HA PHE A 10 3.880 3.926 5.422 1.00 0.08 H
ATOM 158 HB2 PHE A 10 1.376 3.011 5.479 1.00 0.15 H
ATOM 159 HB3 PHE A 10 1.879 2.222 3.988 1.00 0.20 H
ATOM 160 HD1 PHE A 10 4.144 0.906 4.083 1.00 0.27 H
ATOM 161 HD2 PHE A 10 1.969 2.082 7.554 1.00 0.23 H
ATOM 162 HE1 PHE A 10 5.335 -0.784 5.406 1.00 0.33 H
ATOM 163 HE2 PHE A 10 3.165 0.387 8.870 1.00 0.32 H
ATOM 164 HZ PHE A 10 4.847 -1.044 7.798 1.00 0.34 H
ATOM 165 N SER A 11 5.144 3.999 3.287 1.00 0.11 N
ATOM 166 CA SER A 11 5.920 3.827 2.038 1.00 0.14 C
ATOM 167 C SER A 11 6.545 2.428 1.997 1.00 0.18 C
ATOM 168 O SER A 11 7.362 2.089 2.829 1.00 0.47 O
ATOM 169 CB SER A 11 7.020 4.882 1.986 1.00 0.16 C
ATOM 170 OG SER A 11 7.925 4.391 1.009 1.00 0.45 O
ATOM 171 H SER A 11 5.561 4.394 4.082 1.00 0.20 H
ATOM 172 HA SER A 11 5.257 3.956 1.193 1.00 0.15 H
ATOM 173 HB2 SER A 11 6.620 5.835 1.680 1.00 0.20 H
ATOM 174 HB3 SER A 11 7.512 4.968 2.941 1.00 0.32 H
ATOM 175 HG SER A 11 8.499 5.115 0.747 1.00 0.96 H
ATOM 176 N PHE A 12 6.150 1.650 1.031 1.00 0.16 N
ATOM 177 CA PHE A 12 6.710 0.271 0.926 1.00 0.16 C
ATOM 178 C PHE A 12 7.896 0.253 -0.043 1.00 0.16 C
ATOM 179 O PHE A 12 8.424 1.290 -0.393 1.00 0.15 O
ATOM 180 CB PHE A 12 5.616 -0.670 0.434 1.00 0.19 C
ATOM 181 CG PHE A 12 4.373 -0.495 1.309 1.00 0.17 C
ATOM 182 CD1 PHE A 12 3.543 0.590 1.124 1.00 0.14 C
ATOM 183 CD2 PHE A 12 4.063 -1.417 2.296 1.00 0.21 C
ATOM 184 CE1 PHE A 12 2.414 0.750 1.905 1.00 0.15 C
ATOM 185 CE2 PHE A 12 2.937 -1.252 3.078 1.00 0.21 C
ATOM 186 CZ PHE A 12 2.115 -0.167 2.881 1.00 0.17 C
ATOM 187 H PHE A 12 5.492 1.967 0.378 1.00 0.38 H
ATOM 188 HA PHE A 12 7.043 -0.053 1.897 1.00 0.16 H
ATOM 189 HB2 PHE A 12 5.367 -0.437 -0.591 1.00 0.20 H
ATOM 190 HB3 PHE A 12 5.955 -1.691 0.493 1.00 0.25 H
ATOM 191 HD1 PHE A 12 3.797 1.335 0.388 1.00 0.17 H
ATOM 192 HD2 PHE A 12 4.709 -2.263 2.460 1.00 0.26 H
ATOM 193 HE1 PHE A 12 1.753 1.585 1.733 1.00 0.17 H
ATOM 194 HE2 PHE A 12 2.702 -1.975 3.845 1.00 0.26 H
ATOM 195 HZ PHE A 12 1.249 -0.022 3.509 1.00 0.19 H
ATOM 196 N LYS A 13 8.285 -0.928 -0.456 1.00 0.18 N
ATOM 197 CA LYS A 13 9.452 -1.042 -1.391 1.00 0.19 C
ATOM 198 C LYS A 13 9.015 -1.546 -2.775 1.00 0.14 C
ATOM 199 O LYS A 13 9.549 -1.117 -3.778 1.00 0.14 O
ATOM 200 CB LYS A 13 10.464 -2.019 -0.797 1.00 0.22 C
ATOM 201 CG LYS A 13 11.579 -2.268 -1.815 1.00 0.23 C
ATOM 202 CD LYS A 13 12.916 -2.375 -1.079 1.00 0.31 C
ATOM 203 CE LYS A 13 14.015 -2.723 -2.085 1.00 0.67 C
ATOM 204 NZ LYS A 13 15.359 -2.600 -1.452 1.00 1.23 N
ATOM 205 H LYS A 13 7.818 -1.733 -0.151 1.00 0.19 H
ATOM 206 HA LYS A 13 9.920 -0.081 -1.501 1.00 0.20 H
ATOM 207 HB2 LYS A 13 10.885 -1.602 0.106 1.00 0.21 H
ATOM 208 HB3 LYS A 13 9.973 -2.952 -0.561 1.00 0.25 H
ATOM 209 HG2 LYS A 13 11.385 -3.187 -2.350 1.00 0.41 H
ATOM 210 HG3 LYS A 13 11.617 -1.450 -2.519 1.00 0.17 H
ATOM 211 HD2 LYS A 13 13.145 -1.432 -0.603 1.00 0.58 H
ATOM 212 HD3 LYS A 13 12.855 -3.146 -0.325 1.00 0.85 H
ATOM 213 HE2 LYS A 13 13.880 -3.738 -2.431 1.00 1.46 H
ATOM 214 HE3 LYS A 13 13.959 -2.053 -2.929 1.00 1.15 H
ATOM 215 HZ1 LYS A 13 15.337 -1.845 -0.737 1.00 1.50 H
ATOM 216 HZ2 LYS A 13 15.613 -3.500 -0.998 1.00 1.79 H
ATOM 217 HZ3 LYS A 13 16.064 -2.367 -2.180 1.00 1.79 H
ATOM 218 N THR A 14 8.059 -2.444 -2.801 1.00 0.14 N
ATOM 219 CA THR A 14 7.601 -2.987 -4.113 1.00 0.10 C
ATOM 220 C THR A 14 6.074 -3.098 -4.164 1.00 0.11 C
ATOM 221 O THR A 14 5.394 -2.865 -3.185 1.00 0.18 O
ATOM 222 CB THR A 14 8.217 -4.374 -4.320 1.00 0.07 C
ATOM 223 OG1 THR A 14 8.210 -4.970 -3.027 1.00 0.14 O
ATOM 224 CG2 THR A 14 9.689 -4.286 -4.715 1.00 0.08 C
ATOM 225 H THR A 14 7.649 -2.749 -1.978 1.00 0.18 H
ATOM 226 HA THR A 14 7.929 -2.340 -4.890 1.00 0.09 H
ATOM 227 HB THR A 14 7.658 -4.964 -5.025 1.00 0.10 H
ATOM 228 HG1 THR A 14 8.037 -5.910 -3.133 1.00 0.85 H
ATOM 229 HG21 THR A 14 10.051 -3.283 -4.549 1.00 0.70 H
ATOM 230 HG22 THR A 14 10.268 -4.976 -4.120 1.00 0.69 H
ATOM 231 HG23 THR A 14 9.801 -4.536 -5.759 1.00 0.83 H
ATOM 232 N LYS A 15 5.574 -3.455 -5.321 1.00 0.05 N
ATOM 233 CA LYS A 15 4.102 -3.590 -5.481 1.00 0.07 C
ATOM 234 C LYS A 15 3.570 -4.727 -4.604 1.00 0.07 C
ATOM 235 O LYS A 15 2.495 -4.633 -4.051 1.00 0.08 O
ATOM 236 CB LYS A 15 3.788 -3.895 -6.946 1.00 0.08 C
ATOM 237 CG LYS A 15 2.283 -4.126 -7.099 1.00 0.29 C
ATOM 238 CD LYS A 15 1.902 -3.992 -8.574 1.00 0.22 C
ATOM 239 CE LYS A 15 0.602 -4.755 -8.829 1.00 0.87 C
ATOM 240 NZ LYS A 15 -0.201 -4.078 -9.887 1.00 1.18 N
ATOM 241 H LYS A 15 6.163 -3.624 -6.077 1.00 0.02 H
ATOM 242 HA LYS A 15 3.630 -2.670 -5.203 1.00 0.07 H
ATOM 243 HB2 LYS A 15 4.091 -3.063 -7.563 1.00 0.15 H
ATOM 244 HB3 LYS A 15 4.324 -4.778 -7.256 1.00 0.11 H
ATOM 245 HG2 LYS A 15 2.032 -5.117 -6.748 1.00 0.65 H
ATOM 246 HG3 LYS A 15 1.742 -3.396 -6.516 1.00 0.53 H
ATOM 247 HD2 LYS A 15 1.766 -2.948 -8.820 1.00 0.93 H
ATOM 248 HD3 LYS A 15 2.690 -4.400 -9.191 1.00 0.90 H
ATOM 249 HE2 LYS A 15 0.829 -5.761 -9.150 1.00 1.59 H
ATOM 250 HE3 LYS A 15 0.022 -4.797 -7.919 1.00 1.58 H
ATOM 251 HZ1 LYS A 15 0.194 -3.134 -10.070 1.00 1.13 H
ATOM 252 HZ2 LYS A 15 -0.171 -4.643 -10.760 1.00 1.66 H
ATOM 253 HZ3 LYS A 15 -1.187 -3.986 -9.567 1.00 1.98 H
ATOM 254 N GLY A 16 4.334 -5.779 -4.499 1.00 0.08 N
ATOM 255 CA GLY A 16 3.883 -6.924 -3.661 1.00 0.08 C
ATOM 256 C GLY A 16 3.542 -6.443 -2.249 1.00 0.07 C
ATOM 257 O GLY A 16 2.470 -6.703 -1.742 1.00 0.09 O
ATOM 258 H GLY A 16 5.194 -5.816 -4.968 1.00 0.09 H
ATOM 259 HA2 GLY A 16 3.007 -7.371 -4.107 1.00 0.09 H
ATOM 260 HA3 GLY A 16 4.671 -7.660 -3.607 1.00 0.08 H
ATOM 261 N ASN A 17 4.466 -5.747 -1.646 1.00 0.10 N
ATOM 262 CA ASN A 17 4.221 -5.238 -0.272 1.00 0.08 C
ATOM 263 C ASN A 17 3.061 -4.227 -0.276 1.00 0.13 C
ATOM 264 O ASN A 17 2.067 -4.421 0.395 1.00 0.28 O
ATOM 265 CB ASN A 17 5.492 -4.570 0.238 1.00 0.05 C
ATOM 266 CG ASN A 17 6.591 -5.624 0.386 1.00 0.04 C
ATOM 267 OD1 ASN A 17 6.765 -6.212 1.435 1.00 0.14 O
ATOM 268 ND2 ASN A 17 7.352 -5.892 -0.639 1.00 0.07 N
ATOM 269 H ASN A 17 5.315 -5.568 -2.089 1.00 0.16 H
ATOM 270 HA ASN A 17 3.973 -6.061 0.367 1.00 0.09 H
ATOM 271 HB2 ASN A 17 5.814 -3.815 -0.463 1.00 0.08 H
ATOM 272 HB3 ASN A 17 5.306 -4.114 1.196 1.00 0.07 H
ATOM 273 HD21 ASN A 17 7.216 -5.421 -1.488 1.00 0.15 H
ATOM 274 HD22 ASN A 17 8.061 -6.565 -0.560 1.00 0.07 H
ATOM 275 N LEU A 18 3.219 -3.169 -1.032 1.00 0.12 N
ATOM 276 CA LEU A 18 2.128 -2.142 -1.104 1.00 0.13 C
ATOM 277 C LEU A 18 0.782 -2.858 -1.257 1.00 0.09 C
ATOM 278 O LEU A 18 -0.175 -2.541 -0.583 1.00 0.17 O
ATOM 279 CB LEU A 18 2.411 -1.231 -2.330 1.00 0.15 C
ATOM 280 CG LEU A 18 1.298 -0.151 -2.560 1.00 0.17 C
ATOM 281 CD1 LEU A 18 -0.009 -0.791 -3.042 1.00 0.07 C
ATOM 282 CD2 LEU A 18 1.029 0.642 -1.277 1.00 0.26 C
ATOM 283 H LEU A 18 4.044 -3.050 -1.546 1.00 0.22 H
ATOM 284 HA LEU A 18 2.131 -1.554 -0.203 1.00 0.18 H
ATOM 285 HB2 LEU A 18 3.354 -0.728 -2.178 1.00 0.22 H
ATOM 286 HB3 LEU A 18 2.496 -1.846 -3.212 1.00 0.13 H
ATOM 287 HG LEU A 18 1.642 0.536 -3.318 1.00 0.21 H
ATOM 288 HD11 LEU A 18 0.195 -1.736 -3.516 1.00 0.75 H
ATOM 289 HD12 LEU A 18 -0.670 -0.944 -2.209 1.00 0.78 H
ATOM 290 HD13 LEU A 18 -0.488 -0.135 -3.753 1.00 0.68 H
ATOM 291 HD21 LEU A 18 1.951 1.008 -0.884 1.00 0.75 H
ATOM 292 HD22 LEU A 18 0.386 1.480 -1.502 1.00 0.83 H
ATOM 293 HD23 LEU A 18 0.549 0.020 -0.540 1.00 1.10 H
ATOM 294 N THR A 19 0.747 -3.823 -2.135 1.00 0.07 N
ATOM 295 CA THR A 19 -0.522 -4.573 -2.353 1.00 0.16 C
ATOM 296 C THR A 19 -0.985 -5.221 -1.045 1.00 0.16 C
ATOM 297 O THR A 19 -2.160 -5.248 -0.753 1.00 0.27 O
ATOM 298 CB THR A 19 -0.290 -5.659 -3.407 1.00 0.21 C
ATOM 299 OG1 THR A 19 0.100 -4.949 -4.579 1.00 0.27 O
ATOM 300 CG2 THR A 19 -1.590 -6.366 -3.779 1.00 0.29 C
ATOM 301 H THR A 19 1.549 -4.055 -2.641 1.00 0.08 H
ATOM 302 HA THR A 19 -1.282 -3.895 -2.702 1.00 0.24 H
ATOM 303 HB THR A 19 0.465 -6.361 -3.105 1.00 0.18 H
ATOM 304 HG1 THR A 19 -0.583 -4.305 -4.777 1.00 0.52 H
ATOM 305 HG21 THR A 19 -2.355 -5.634 -3.996 1.00 0.68 H
ATOM 306 HG22 THR A 19 -1.433 -6.983 -4.652 1.00 1.13 H
ATOM 307 HG23 THR A 19 -1.916 -6.988 -2.958 1.00 0.78 H
ATOM 308 N LYS A 20 -0.053 -5.732 -0.289 1.00 0.08 N
ATOM 309 CA LYS A 20 -0.433 -6.374 1.007 1.00 0.13 C
ATOM 310 C LYS A 20 -1.229 -5.380 1.856 1.00 0.17 C
ATOM 311 O LYS A 20 -2.131 -5.754 2.580 1.00 0.26 O
ATOM 312 CB LYS A 20 0.833 -6.786 1.754 1.00 0.14 C
ATOM 313 CG LYS A 20 0.660 -8.209 2.290 1.00 0.34 C
ATOM 314 CD LYS A 20 1.790 -8.513 3.276 1.00 0.46 C
ATOM 315 CE LYS A 20 1.841 -10.020 3.531 1.00 0.99 C
ATOM 316 NZ LYS A 20 2.049 -10.296 4.980 1.00 1.61 N
ATOM 317 H LYS A 20 0.887 -5.693 -0.567 1.00 0.07 H
ATOM 318 HA LYS A 20 -1.038 -7.246 0.813 1.00 0.15 H
ATOM 319 HB2 LYS A 20 1.679 -6.751 1.083 1.00 0.17 H
ATOM 320 HB3 LYS A 20 1.007 -6.108 2.577 1.00 0.29 H
ATOM 321 HG2 LYS A 20 -0.293 -8.295 2.791 1.00 0.82 H
ATOM 322 HG3 LYS A 20 0.695 -8.912 1.470 1.00 0.81 H
ATOM 323 HD2 LYS A 20 2.731 -8.183 2.861 1.00 1.03 H
ATOM 324 HD3 LYS A 20 1.610 -7.993 4.205 1.00 1.15 H
ATOM 325 HE2 LYS A 20 0.912 -10.473 3.215 1.00 1.47 H
ATOM 326 HE3 LYS A 20 2.654 -10.456 2.969 1.00 1.65 H
ATOM 327 HZ1 LYS A 20 2.880 -9.769 5.318 1.00 1.93 H
ATOM 328 HZ2 LYS A 20 1.209 -9.996 5.514 1.00 1.66 H
ATOM 329 HZ3 LYS A 20 2.203 -11.315 5.121 1.00 2.47 H
ATOM 330 N HIS A 21 -0.869 -4.132 1.751 1.00 0.13 N
ATOM 331 CA HIS A 21 -1.597 -3.087 2.523 1.00 0.18 C
ATOM 332 C HIS A 21 -3.003 -2.925 1.953 1.00 0.24 C
ATOM 333 O HIS A 21 -3.983 -3.007 2.667 1.00 0.26 O
ATOM 334 CB HIS A 21 -0.837 -1.785 2.397 1.00 0.15 C
ATOM 335 CG HIS A 21 -1.482 -0.703 3.263 1.00 0.14 C
ATOM 336 ND1 HIS A 21 -1.761 -0.808 4.508 1.00 0.18 N
ATOM 337 CD2 HIS A 21 -1.862 0.575 2.910 1.00 0.09 C
ATOM 338 CE1 HIS A 21 -2.273 0.283 4.954 1.00 0.17 C
ATOM 339 NE2 HIS A 21 -2.361 1.175 3.996 1.00 0.11 N
ATOM 340 H HIS A 21 -0.124 -3.883 1.165 1.00 0.10 H
ATOM 341 HA HIS A 21 -1.652 -3.368 3.549 1.00 0.19 H
ATOM 342 HB2 HIS A 21 0.179 -1.931 2.699 1.00 0.16 H
ATOM 343 HB3 HIS A 21 -0.851 -1.466 1.383 1.00 0.18 H
ATOM 344 HD1 HIS A 21 -1.606 -1.611 5.048 1.00 0.23 H
ATOM 345 HD2 HIS A 21 -1.735 1.025 1.938 1.00 0.10 H
ATOM 346 HE1 HIS A 21 -2.548 0.457 5.979 1.00 0.20 H
ATOM 347 N MET A 22 -3.068 -2.695 0.672 1.00 0.27 N
ATOM 348 CA MET A 22 -4.405 -2.543 0.019 1.00 0.31 C
ATOM 349 C MET A 22 -5.174 -3.864 0.115 1.00 0.31 C
ATOM 350 O MET A 22 -6.386 -3.893 0.030 1.00 0.49 O
ATOM 351 CB MET A 22 -4.223 -2.187 -1.460 1.00 0.31 C
ATOM 352 CG MET A 22 -3.443 -0.876 -1.594 1.00 0.37 C
ATOM 353 SD MET A 22 -4.380 0.669 -1.504 1.00 1.03 S
ATOM 354 CE MET A 22 -3.687 1.284 0.051 1.00 0.39 C
ATOM 355 H MET A 22 -2.243 -2.621 0.145 1.00 0.26 H
ATOM 356 HA MET A 22 -4.962 -1.765 0.512 1.00 0.33 H
ATOM 357 HB2 MET A 22 -3.680 -2.979 -1.956 1.00 0.25 H
ATOM 358 HB3 MET A 22 -5.191 -2.079 -1.927 1.00 0.38 H
ATOM 359 HG2 MET A 22 -2.687 -0.849 -0.826 1.00 0.58 H
ATOM 360 HG3 MET A 22 -2.942 -0.888 -2.547 1.00 0.99 H
ATOM 361 HE1 MET A 22 -3.707 0.497 0.791 1.00 0.92 H
ATOM 362 HE2 MET A 22 -2.668 1.601 -0.113 1.00 1.47 H
ATOM 363 HE3 MET A 22 -4.273 2.121 0.401 1.00 0.82 H
ATOM 364 N LYS A 23 -4.442 -4.932 0.289 1.00 0.25 N
ATOM 365 CA LYS A 23 -5.095 -6.270 0.385 1.00 0.25 C
ATOM 366 C LYS A 23 -5.934 -6.349 1.659 1.00 0.25 C
ATOM 367 O LYS A 23 -7.141 -6.471 1.605 1.00 0.50 O
ATOM 368 CB LYS A 23 -4.011 -7.351 0.412 1.00 0.26 C
ATOM 369 CG LYS A 23 -4.669 -8.730 0.389 1.00 0.61 C
ATOM 370 CD LYS A 23 -4.235 -9.472 -0.876 1.00 0.26 C
ATOM 371 CE LYS A 23 -4.829 -10.882 -0.859 1.00 0.62 C
ATOM 372 NZ LYS A 23 -4.888 -11.441 -2.239 1.00 1.07 N
ATOM 373 H LYS A 23 -3.472 -4.853 0.368 1.00 0.36 H
ATOM 374 HA LYS A 23 -5.729 -6.422 -0.471 1.00 0.23 H
ATOM 375 HB2 LYS A 23 -3.370 -7.242 -0.449 1.00 0.35 H
ATOM 376 HB3 LYS A 23 -3.420 -7.248 1.308 1.00 0.69 H
ATOM 377 HG2 LYS A 23 -4.364 -9.291 1.261 1.00 1.38 H
ATOM 378 HG3 LYS A 23 -5.742 -8.622 0.395 1.00 1.28 H
ATOM 379 HD2 LYS A 23 -4.587 -8.940 -1.748 1.00 1.04 H
ATOM 380 HD3 LYS A 23 -3.158 -9.533 -0.909 1.00 1.18 H
ATOM 381 HE2 LYS A 23 -4.217 -11.525 -0.243 1.00 1.36 H
ATOM 382 HE3 LYS A 23 -5.828 -10.849 -0.449 1.00 1.26 H
ATOM 383 HZ1 LYS A 23 -4.064 -11.113 -2.781 1.00 1.26 H
ATOM 384 HZ2 LYS A 23 -4.881 -12.480 -2.192 1.00 1.68 H
ATOM 385 HZ3 LYS A 23 -5.761 -11.121 -2.705 1.00 1.69 H
ATOM 386 N SER A 24 -5.276 -6.279 2.783 1.00 0.15 N
ATOM 387 CA SER A 24 -6.026 -6.340 4.065 1.00 0.13 C
ATOM 388 C SER A 24 -7.180 -5.336 4.028 1.00 0.11 C
ATOM 389 O SER A 24 -7.315 -4.580 3.086 1.00 0.09 O
ATOM 390 CB SER A 24 -5.084 -5.994 5.217 1.00 0.15 C
ATOM 391 OG SER A 24 -5.850 -6.257 6.383 1.00 0.71 O
ATOM 392 H SER A 24 -4.300 -6.187 2.783 1.00 0.32 H
ATOM 393 HA SER A 24 -6.418 -7.332 4.207 1.00 0.12 H
ATOM 394 HB2 SER A 24 -4.206 -6.624 5.196 1.00 0.52 H
ATOM 395 HB3 SER A 24 -4.802 -4.952 5.182 1.00 0.38 H
ATOM 396 HG SER A 24 -5.250 -6.283 7.133 1.00 1.03 H
ATOM 397 N LYS A 25 -7.987 -5.347 5.046 1.00 0.20 N
ATOM 398 CA LYS A 25 -9.131 -4.395 5.074 1.00 0.19 C
ATOM 399 C LYS A 25 -8.645 -2.995 5.442 1.00 0.13 C
ATOM 400 O LYS A 25 -9.372 -2.222 6.032 1.00 0.22 O
ATOM 401 CB LYS A 25 -10.154 -4.872 6.099 1.00 0.32 C
ATOM 402 CG LYS A 25 -10.974 -6.011 5.492 1.00 0.35 C
ATOM 403 CD LYS A 25 -11.811 -6.661 6.589 1.00 1.05 C
ATOM 404 CE LYS A 25 -12.572 -7.851 6.003 1.00 1.13 C
ATOM 405 NZ LYS A 25 -13.723 -7.379 5.181 1.00 1.49 N
ATOM 406 H LYS A 25 -7.844 -5.975 5.785 1.00 0.29 H
ATOM 407 HA LYS A 25 -9.593 -4.361 4.100 1.00 0.20 H
ATOM 408 HB2 LYS A 25 -9.645 -5.223 6.984 1.00 0.67 H
ATOM 409 HB3 LYS A 25 -10.810 -4.057 6.366 1.00 0.43 H
ATOM 410 HG2 LYS A 25 -11.624 -5.621 4.722 1.00 0.64 H
ATOM 411 HG3 LYS A 25 -10.310 -6.745 5.058 1.00 0.96 H
ATOM 412 HD2 LYS A 25 -11.164 -7.001 7.385 1.00 1.70 H
ATOM 413 HD3 LYS A 25 -12.512 -5.941 6.985 1.00 1.60 H
ATOM 414 HE2 LYS A 25 -11.909 -8.434 5.380 1.00 1.51 H
ATOM 415 HE3 LYS A 25 -12.942 -8.475 6.802 1.00 1.74 H
ATOM 416 HZ1 LYS A 25 -13.403 -6.628 4.538 1.00 1.53 H
ATOM 417 HZ2 LYS A 25 -14.101 -8.173 4.627 1.00 2.14 H
ATOM 418 HZ3 LYS A 25 -14.466 -7.008 5.807 1.00 2.08 H
ATOM 419 N ALA A 26 -7.421 -2.699 5.093 1.00 0.27 N
ATOM 420 CA ALA A 26 -6.888 -1.344 5.407 1.00 0.25 C
ATOM 421 C ALA A 26 -7.921 -0.295 4.998 1.00 0.23 C
ATOM 422 O ALA A 26 -8.798 0.045 5.766 1.00 0.23 O
ATOM 423 CB ALA A 26 -5.591 -1.120 4.632 1.00 0.25 C
ATOM 424 H ALA A 26 -6.863 -3.358 4.630 1.00 0.44 H
ATOM 425 HA ALA A 26 -6.696 -1.269 6.464 1.00 0.32 H
ATOM 426 HB1 ALA A 26 -5.730 -1.406 3.600 1.00 0.87 H
ATOM 427 HB2 ALA A 26 -5.315 -0.077 4.679 1.00 0.67 H
ATOM 428 HB3 ALA A 26 -4.802 -1.717 5.063 1.00 0.89 H
ATOM 429 N HIS A 27 -7.795 0.200 3.796 1.00 0.22 N
ATOM 430 CA HIS A 27 -8.782 1.210 3.324 1.00 0.22 C
ATOM 431 C HIS A 27 -8.526 1.596 1.869 1.00 0.24 C
ATOM 432 O HIS A 27 -8.016 2.664 1.594 1.00 0.24 O
ATOM 433 CB HIS A 27 -8.708 2.457 4.194 1.00 0.16 C
ATOM 434 CG HIS A 27 -7.251 2.876 4.431 1.00 0.10 C
ATOM 435 ND1 HIS A 27 -6.908 3.812 5.221 1.00 0.09 N
ATOM 436 CD2 HIS A 27 -6.045 2.405 3.878 1.00 0.07 C
ATOM 437 CE1 HIS A 27 -5.650 3.980 5.223 1.00 0.06 C
ATOM 438 NE2 HIS A 27 -5.054 3.140 4.415 1.00 0.05 N
ATOM 439 H HIS A 27 -7.064 -0.093 3.213 1.00 0.22 H
ATOM 440 HA HIS A 27 -9.771 0.791 3.403 1.00 0.27 H
ATOM 441 HB2 HIS A 27 -9.230 3.268 3.704 1.00 0.17 H
ATOM 442 HB3 HIS A 27 -9.179 2.265 5.146 1.00 0.19 H
ATOM 443 HD1 HIS A 27 -7.536 4.337 5.759 1.00 0.12 H
ATOM 444 HD2 HIS A 27 -5.939 1.617 3.151 1.00 0.10 H
ATOM 445 HE1 HIS A 27 -5.138 4.735 5.797 1.00 0.08 H
ATOM 446 N SER A 28 -8.881 0.729 0.963 1.00 0.27 N
ATOM 447 CA SER A 28 -8.671 1.068 -0.466 1.00 0.31 C
ATOM 448 C SER A 28 -9.453 0.125 -1.381 1.00 0.48 C
ATOM 449 O SER A 28 -8.928 -0.387 -2.349 1.00 0.80 O
ATOM 450 CB SER A 28 -7.199 0.964 -0.770 1.00 0.38 C
ATOM 451 OG SER A 28 -6.985 -0.419 -1.006 1.00 0.72 O
ATOM 452 H SER A 28 -9.254 -0.136 1.219 1.00 0.29 H
ATOM 453 HA SER A 28 -8.993 2.079 -0.642 1.00 0.25 H
ATOM 454 HB2 SER A 28 -6.954 1.536 -1.646 1.00 0.41 H
ATOM 455 HB3 SER A 28 -6.617 1.294 0.076 1.00 0.54 H
ATOM 456 HG SER A 28 -7.539 -0.913 -0.397 1.00 0.99 H
ATOM 457 N LYS A 29 -10.694 -0.081 -1.057 1.00 0.55 N
ATOM 458 CA LYS A 29 -11.532 -0.974 -1.910 1.00 0.70 C
ATOM 459 C LYS A 29 -12.114 -0.169 -3.075 1.00 0.55 C
ATOM 460 O LYS A 29 -13.252 -0.355 -3.456 1.00 0.37 O
ATOM 461 CB LYS A 29 -12.676 -1.554 -1.073 1.00 0.77 C
ATOM 462 CG LYS A 29 -12.105 -2.537 -0.032 1.00 1.62 C
ATOM 463 CD LYS A 29 -13.232 -3.429 0.525 1.00 1.73 C
ATOM 464 CE LYS A 29 -14.128 -2.619 1.475 1.00 1.40 C
ATOM 465 NZ LYS A 29 -15.547 -2.671 1.022 1.00 1.51 N
ATOM 466 H LYS A 29 -11.069 0.344 -0.262 1.00 0.71 H
ATOM 467 HA LYS A 29 -10.927 -1.774 -2.298 1.00 0.99 H
ATOM 468 HB2 LYS A 29 -13.195 -0.752 -0.570 1.00 0.40 H
ATOM 469 HB3 LYS A 29 -13.369 -2.069 -1.722 1.00 1.13 H
ATOM 470 HG2 LYS A 29 -11.356 -3.160 -0.496 1.00 2.28 H
ATOM 471 HG3 LYS A 29 -11.645 -1.984 0.775 1.00 1.85 H
ATOM 472 HD2 LYS A 29 -13.828 -3.817 -0.289 1.00 1.86 H
ATOM 473 HD3 LYS A 29 -12.799 -4.258 1.064 1.00 2.72 H
ATOM 474 HE2 LYS A 29 -14.063 -3.032 2.470 1.00 2.43 H
ATOM 475 HE3 LYS A 29 -13.805 -1.591 1.501 1.00 1.45 H
ATOM 476 HZ1 LYS A 29 -15.580 -2.682 -0.017 1.00 1.31 H
ATOM 477 HZ2 LYS A 29 -15.997 -3.532 1.392 1.00 2.34 H
ATOM 478 HZ3 LYS A 29 -16.054 -1.835 1.376 1.00 1.93 H
ATOM 479 N LYS A 30 -11.313 0.710 -3.614 1.00 1.10 N
ATOM 480 CA LYS A 30 -11.789 1.542 -4.748 1.00 1.25 C
ATOM 481 C LYS A 30 -10.596 2.154 -5.491 1.00 1.92 C
ATOM 482 O LYS A 30 -9.648 2.495 -4.803 1.00 2.18 O
ATOM 483 CB LYS A 30 -12.680 2.663 -4.208 1.00 0.87 C
ATOM 484 CG LYS A 30 -14.121 2.442 -4.672 1.00 1.26 C
ATOM 485 CD LYS A 30 -15.037 3.404 -3.915 1.00 1.72 C
ATOM 486 CE LYS A 30 -16.254 3.726 -4.782 1.00 2.53 C
ATOM 487 NZ LYS A 30 -15.975 4.904 -5.650 1.00 2.96 N
ATOM 488 OXT LYS A 30 -10.701 2.245 -6.703 1.00 2.42 O
ATOM 489 H LYS A 30 -10.407 0.818 -3.280 1.00 1.50 H
ATOM 490 HA LYS A 30 -12.351 0.931 -5.421 1.00 1.44 H
ATOM 491 HB2 LYS A 30 -12.644 2.666 -3.129 1.00 0.71 H
ATOM 492 HB3 LYS A 30 -12.326 3.615 -4.575 1.00 1.63 H
ATOM 493 HG2 LYS A 30 -14.192 2.630 -5.733 1.00 2.07 H
ATOM 494 HG3 LYS A 30 -14.418 1.424 -4.470 1.00 1.41 H
ATOM 495 HD2 LYS A 30 -15.360 2.946 -2.991 1.00 1.94 H
ATOM 496 HD3 LYS A 30 -14.500 4.314 -3.689 1.00 1.98 H
ATOM 497 HE2 LYS A 30 -16.491 2.876 -5.405 1.00 2.83 H
ATOM 498 HE3 LYS A 30 -17.101 3.947 -4.150 1.00 3.08 H
ATOM 499 HZ1 LYS A 30 -14.979 5.185 -5.545 1.00 2.56 H
ATOM 500 HZ2 LYS A 30 -16.163 4.656 -6.642 1.00 3.43 H
ATOM 501 HZ3 LYS A 30 -16.590 5.695 -5.369 1.00 3.68 H
TER 502 LYS A 30
HETATM 503 ZN ZN A 31 -3.065 3.047 4.100 1.00 0.08 ZN
CONECT 84 503
CONECT 126 503
CONECT 339 503
CONECT 438 503
CONECT 503 84 126 339 438
MASTER 149 1 1 1 0 0 1 6 502 1 5 3
END
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