USER  MOD reduce.3.24.130724 H: found=0, std=0, add=0, rem=0, adj=0
USER  MOD reduce.3.24.130724 removed 0 hydrogens (0 hets)
HEADER    MEMBRANE PROTEIN                        03-AUG-01   1JQ1
TITLE     POTASSIUM CHANNEL (KCSA) OPEN GATE MODEL
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: VOLTAGE-GATED POTASSIUM CHANNEL;
COMPND   3 CHAIN: A, B, C, D;
COMPND   4 FRAGMENT: INNER TRANSMEMBRANE SEGMENT (RESIDUES 86-119);
COMPND   5 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES LIVIDANS;
SOURCE   3 ORGANISM_TAXID: 1916;
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: XL-2 BLUE;
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PQE32
KEYWDS    POTASSIUM CHANNEL, INTEGRAL MEMBRANE PROTEIN, OPEN STATE
EXPDTA    SOLUTION NMR
MDLTYP    MINIMIZED AVERAGE; CA ATOMS ONLY, CHAIN A, B, C, D
AUTHOR    Y.-S.LIU,P.SOMPORNPISUT,E.PEROZO
REVDAT   3   24-FEB-09 1JQ1    1       VERSN
REVDAT   2   01-APR-03 1JQ1    1       JRNL
REVDAT   1   03-OCT-01 1JQ1    0
JRNL        AUTH   Y.S.LIU,P.SOMPORNPISUT,E.PEROZO
JRNL        TITL   STRUCTURE OF THE KCSA CHANNEL INTRACELLULAR GATE
JRNL        TITL 2 IN THE OPEN STATE.
JRNL        REF    NAT.STRUCT.BIOL.              V.   8   883 2001
JRNL        REFN                   ISSN 1072-8368
JRNL        PMID   11573095
JRNL        DOI    10.1038/NSB1001-883
REMARK   1
REMARK   1 REFERENCE 1
REMARK   1  AUTH   P.SOMPORNPISUT,Y.-S.LIU,E.PEROZO
REMARK   1  TITL   CALCULATION OF RIGID BODY CONFORMATIONAL CHANGES
REMARK   1  TITL 2 USING RESTRAINT-DRIVEN CARTESIAN TRANSFORMATIONS
REMARK   1  REF    TO BE PUBLISHED
REMARK   1  REFN
REMARK   1 REFERENCE 2
REMARK   1  AUTH   E.PEROZO,D.M.CORTES,L.G.CUELLO
REMARK   1  TITL   STRUCTURAL REARRANGEMENTS UNDERLYING K+-CHANNEL
REMARK   1  TITL 2 ACTIVATION GATING
REMARK   1  REF    SCIENCE                       V. 285    73 1999
REMARK   1  REFN                   ISSN 0036-8075
REMARK   1  DOI    10.1126/SCIENCE.285.5424.73
REMARK   1 REFERENCE 3
REMARK   1  AUTH   D.A.DOYLE,J.MORAIS CABRAL,R.A.PFUETZNER,A.KUO,
REMARK   1  AUTH 2 J.M.GULBIS,S.L.COHEN,B.T.CHAIT,R.MACKINNON
REMARK   1  TITL   THE STRUCTURE OF THE POTASSIUM CHANNEL: MOLECULAR
REMARK   1  TITL 2 BASIS OF K+ CONDUCTION AND SELECTIVITY
REMARK   1  REF    SCIENCE                       V. 280    69 1998
REMARK   1  REFN                   ISSN 0036-8075
REMARK   1  DOI    10.1126/SCIENCE.280.5360.69
REMARK   2
REMARK   2 RESOLUTION. NOT APPLICABLE.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : AMBER 6.0
REMARK   3   AUTHORS     : D.A.CASE ET.AL.
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE ARE BASED ON: 1) TEN
REMARK   3  PAIRS OF INTER-SUBUNIT DISTANCES FOR THE KCSA INNER HELICAL
REMARK   3  BUNDLE IN THE CLOSED AND THE OPEN STATES AND 2) THE USE OF THE
REMARK   3  CRYSTAL STRUCTURE AS THE CHANNEL IN THE CLOSED STATE, AND AS
REMARK   3  THE REFERENCE STRUCTURE. THE COMPUTER PROGRAM REDCAT SEARCHES
REMARK   3  (RESTRAINT-DRIVEN CARTESIAN TRANSFORMATION) BASED ON THE
REMARK   3  EXHAUSTIVE SAMPLING OF RIGID-BODY MOVEMENT IN CARTESIAN SPACE
REMARK   3  FOR THE TM2 INNER BUNDLE IN THE OPEN STATE WERE ALLOWED TO
REMARK   3  CONVERGE TO A MINIMAL PENALTY VALUE. THE ENSEMBLE OF THE 50
REMARK   3  LOWEST PENALTY CONFORMERS WAS SUBJECTED TO MOLECULAR MECHANIC
REMARK   3  ENERGY MINIMIZATION. FINAL REFINEMENT WAS PERFORMED ON THE
REMARK   3  AVERAGE OPEN HELICAL BUNDLE BY ENERGY MINIMIZATION.
REMARK   4
REMARK   4 1JQ1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK  99
REMARK  99 THE STRUCTURE CONTAINS ONLY ALPHA-CARBONS BECAUSE
REMARK  99 THE EXPERIMENTAL DATA USED TO CALCULATE THE STRUCTURES
REMARK  99 ARE GOOD ENOUGH ONLY TO THE BACKBONE LEVEL.
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-AUG-01.
REMARK 100 THE RCSB ID CODE IS RCSB014053.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210  EXPERIMENT TYPE                : NMR
REMARK 210  TEMPERATURE           (KELVIN) : 150.0; 150.0
REMARK 210  PH                             : 7.0; 4.0
REMARK 210  IONIC STRENGTH                 : 20 MM CITRATE PHOSPHATE; 20
REMARK 210                                   MM CITRATE PHOSPHATE
REMARK 210  PRESSURE                       : 1 ATM; 1 ATM
REMARK 210  SAMPLE CONTENTS                : 1.0 MG/ML MIXED WITH
REMARK 210                                   METHANETHIOSULFONATE SPIN LABEL
REMARK 210
REMARK 210  NMR EXPERIMENTS CONDUCTED      : CONTINUOUS WAVE EPR
REMARK 210  SPECTROMETER FIELD STRENGTH    : 3400 MHZ
REMARK 210  SPECTROMETER MODEL             : EMX
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER
REMARK 210
REMARK 210  STRUCTURE DETERMINATION.
REMARK 210   SOFTWARE USED                 : EPR AQUISIT 2.32, REDCAT
REMARK 210   METHOD USED                   : FOURIER DECONVOLUTION,
REMARK 210                                   CONFORMATIONAL GRID SEARCH A
REMARK 210                                   CARTESAIN REPRESENTATION
REMARK 210                                   MOLECULAR MECHANIC ENERGY
REMARK 210                                   MINIMIZATION
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 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1JQ2   RELATED DB: PDB
REMARK 900 1JQ2 CONTAINS THE ENSEMBLE
DBREF  1JQ1 A   86   119  UNP    P0A334   KCSA_STRLI      86    119
DBREF  1JQ1 B   86   119  UNP    P0A334   KCSA_STRLI      86    119
DBREF  1JQ1 C   86   119  UNP    P0A334   KCSA_STRLI      86    119
DBREF  1JQ1 D   86   119  UNP    P0A334   KCSA_STRLI      86    119
SEQADV 1JQ1 CYS A   90  UNP  P0A334    LEU    90 ENGINEERED
SEQADV 1JQ1 CYS B   90  UNP  P0A334    LEU    90 ENGINEERED
SEQADV 1JQ1 CYS C   90  UNP  P0A334    LEU    90 ENGINEERED
SEQADV 1JQ1 CYS D   90  UNP  P0A334    LEU    90 ENGINEERED
SEQRES   1 A   34  LEU TRP GLY ARG CYS VAL ALA VAL VAL VAL MET VAL ALA
SEQRES   2 A   34  GLY ILE THR SER PHE GLY LEU VAL THR ALA ALA LEU ALA
SEQRES   3 A   34  THR TRP PHE VAL GLY ARG GLU GLN
SEQRES   1 B   34  LEU TRP GLY ARG CYS VAL ALA VAL VAL VAL MET VAL ALA
SEQRES   2 B   34  GLY ILE THR SER PHE GLY LEU VAL THR ALA ALA LEU ALA
SEQRES   3 B   34  THR TRP PHE VAL GLY ARG GLU GLN
SEQRES   1 C   34  LEU TRP GLY ARG CYS VAL ALA VAL VAL VAL MET VAL ALA
SEQRES   2 C   34  GLY ILE THR SER PHE GLY LEU VAL THR ALA ALA LEU ALA
SEQRES   3 C   34  THR TRP PHE VAL GLY ARG GLU GLN
SEQRES   1 D   34  LEU TRP GLY ARG CYS VAL ALA VAL VAL VAL MET VAL ALA
SEQRES   2 D   34  GLY ILE THR SER PHE GLY LEU VAL THR ALA ALA LEU ALA
SEQRES   3 D   34  THR TRP PHE VAL GLY ARG GLU GLN
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  CA  LEU A  86     -21.540   0.672 -19.368  1.00  0.00           C
ATOM      2  CA  TRP A  87     -21.488   0.068 -15.552  1.00  0.00           C
ATOM      3  CA  GLY A  88     -20.164  -3.580 -15.532  1.00  0.00           C
ATOM      4  CA  ARG A  89     -16.600  -2.188 -16.120  1.00  0.00           C
ATOM      5  CA  CYS A  90     -17.128   0.260 -13.196  1.00  0.00           C
ATOM      6  CA  VAL A  91     -18.056  -2.760 -10.972  1.00  0.00           C
ATOM      7  CA  ALA A  92     -14.888  -4.464 -12.344  1.00  0.00           C
ATOM      8  CA  VAL A  93     -12.748  -1.408 -11.280  1.00  0.00           C
ATOM      9  CA  VAL A  94     -14.460  -1.456  -7.800  1.00  0.00           C
ATOM     10  CA  VAL A  95     -13.752  -5.200  -7.164  1.00  0.00           C
ATOM     11  CA  MET A  96     -10.196  -4.760  -8.620  1.00  0.00           C
ATOM     12  CA  VAL A  97      -9.304  -1.884  -6.208  1.00  0.00           C
ATOM     13  CA  ALA A  98     -11.108  -3.732  -3.344  1.00  0.00           C
ATOM     14  CA  GLY A  99      -9.012  -6.880  -4.140  1.00  0.00           C
ATOM     15  CA  ILE A 100      -5.716  -4.876  -4.256  1.00  0.00           C
ATOM     16  CA  THR A 101      -6.896  -3.224  -0.972  1.00  0.00           C
ATOM     17  CA  SER A 102      -7.796  -6.604   0.680  1.00  0.00           C
ATOM     18  CA  PHE A 103      -4.400  -8.228  -0.020  1.00  0.00           C
ATOM     19  CA  GLY A 104      -2.632  -4.904   0.908  1.00  0.00           C
ATOM     20  CA  LEU A 105      -4.676  -5.152   4.180  1.00  0.00           C
ATOM     21  CA  VAL A 106      -3.564  -8.752   5.076  1.00  0.00           C
ATOM     22  CA  THR A 107      -0.080  -7.420   4.140  1.00  0.00           C
ATOM     23  CA  ALA A 108      -0.060  -4.232   6.344  1.00  0.00           C
ATOM     24  CA  ALA A 109      -0.204  -5.876   9.832  1.00  0.00           C
ATOM     25  CA  LEU A 110       2.616  -8.484   9.444  1.00  0.00           C
ATOM     26  CA  ALA A 111       5.452  -5.832   9.488  1.00  0.00           C
ATOM     27  CA  THR A 112       4.160  -3.840  12.504  1.00  0.00           C
ATOM     28  CA  TRP A 113       4.056  -7.368  14.044  1.00  0.00           C
ATOM     29  CA  PHE A 114       7.708  -7.972  12.840  1.00  0.00           C
ATOM     30  CA  VAL A 115       8.844  -4.492  14.156  1.00  0.00           C
ATOM     31  CA  GLY A 116       7.536  -5.956  17.472  1.00  0.00           C
ATOM     32  CA  ARG A 117      11.132  -7.480  17.424  1.00  0.00           C
ATOM     33  CA  GLU A 118      12.964  -4.196  18.076  1.00  0.00           C
ATOM     34  CA  GLN A 119      12.984  -6.252  21.392  1.00  0.00           C
TER      35      GLN A 119
ATOM     36  CA  LEU B  86      -0.628 -21.592 -19.096  1.00  0.00           C
ATOM     37  CA  TRP B  87      -0.028 -21.508 -15.280  1.00  0.00           C
ATOM     38  CA  GLY B  88       3.620 -20.180 -15.272  1.00  0.00           C
ATOM     39  CA  ARG B  89       2.220 -16.624 -15.896  1.00  0.00           C
ATOM     40  CA  CYS B  90      -0.228 -17.128 -12.964  1.00  0.00           C
ATOM     41  CA  VAL B  91       2.796 -18.028 -10.732  1.00  0.00           C
ATOM     42  CA  ALA B  92       4.492 -14.868 -12.140  1.00  0.00           C
ATOM     43  CA  VAL B  93       1.436 -12.720 -11.092  1.00  0.00           C
ATOM     44  CA  VAL B  94       1.492 -14.396  -7.600  1.00  0.00           C
ATOM     45  CA  VAL B  95       5.240 -13.680  -6.980  1.00  0.00           C
ATOM     46  CA  MET B  96       4.788 -10.136  -8.460  1.00  0.00           C
ATOM     47  CA  VAL B  97       1.924  -9.228  -6.040  1.00  0.00           C
ATOM     48  CA  ALA B  98       3.792 -11.016  -3.176  1.00  0.00           C
ATOM     49  CA  GLY B  99       6.928  -8.904  -3.996  1.00  0.00           C
ATOM     50  CA  ILE B 100       4.888  -5.628  -4.080  1.00  0.00           C
ATOM     51  CA  THR B 101       3.280  -6.816  -0.776  1.00  0.00           C
ATOM     52  CA  SER B 102       6.688  -7.680   0.824  1.00  0.00           C
ATOM     53  CA  PHE B 103       8.264  -4.272   0.084  1.00  0.00           C
ATOM     54  CA  GLY B 104       4.932  -2.524   1.032  1.00  0.00           C
ATOM     55  CA  LEU B 105       5.236  -4.504   4.340  1.00  0.00           C
ATOM     56  CA  VAL B 106       8.872  -3.420   5.140  1.00  0.00           C
ATOM     57  CA  THR B 107       7.516   0.048   4.216  1.00  0.00           C
ATOM     58  CA  ALA B 108       4.308   0.160   6.388  1.00  0.00           C
ATOM     59  CA  ALA B 109       5.852   0.052   9.924  1.00  0.00           C
ATOM     60  CA  LEU B 110       8.404   2.916   9.500  1.00  0.00           C
ATOM     61  CA  ALA B 111       5.732   5.732   9.548  1.00  0.00           C
ATOM     62  CA  THR B 112       3.780   4.404  12.568  1.00  0.00           C
ATOM     63  CA  TRP B 113       7.312   4.352  14.100  1.00  0.00           C
ATOM     64  CA  PHE B 114       7.888   8.000  12.860  1.00  0.00           C
ATOM     65  CA  VAL B 115       4.396   9.128  14.140  1.00  0.00           C
ATOM     66  CA  GLY B 116       5.856   7.848  17.472  1.00  0.00           C
ATOM     67  CA  ARG B 117       7.392  11.432  17.400  1.00  0.00           C
ATOM     68  CA  GLU B 118       4.104  13.256  18.052  1.00  0.00           C
ATOM     69  CA  GLN B 119       6.176  13.356  21.360  1.00  0.00           C
TER      70      GLN B 119
ATOM     71  CA  LEU C  86      21.608  -0.668 -18.976  1.00  0.00           C
ATOM     72  CA  TRP C  87      21.508  -0.060 -15.164  1.00  0.00           C
ATOM     73  CA  GLY C  88      20.200   3.592 -15.164  1.00  0.00           C
ATOM     74  CA  ARG C  89      16.640   2.216 -15.796  1.00  0.00           C
ATOM     75  CA  CYS C  90      17.116  -0.228 -12.856  1.00  0.00           C
ATOM     76  CA  VAL C  91      18.028   2.792 -10.628  1.00  0.00           C
ATOM     77  CA  ALA C  92      14.888   4.508 -12.048  1.00  0.00           C
ATOM     78  CA  VAL C  93      12.720   1.464 -11.004  1.00  0.00           C
ATOM     79  CA  VAL C  94      14.376   1.516  -7.500  1.00  0.00           C
ATOM     80  CA  VAL C  95      13.684   5.268  -6.884  1.00  0.00           C
ATOM     81  CA  MET C  96      10.148   4.840  -8.392  1.00  0.00           C
ATOM     82  CA  VAL C  97       9.200   1.972  -5.992  1.00  0.00           C
ATOM     83  CA  ALA C  98      10.944   3.840  -3.100  1.00  0.00           C
ATOM     84  CA  GLY C  99       8.892   7.004  -3.944  1.00  0.00           C
ATOM     85  CA  ILE C 100       5.600   5.000  -4.120  1.00  0.00           C
ATOM     86  CA  THR C 101       6.692   3.340  -0.808  1.00  0.00           C
ATOM     87  CA  SER C 102       7.472   6.744   0.844  1.00  0.00           C
ATOM     88  CA  PHE C 103       4.116   8.364  -0.052  1.00  0.00           C
ATOM     89  CA  GLY C 104       2.336   5.080   0.984  1.00  0.00           C
ATOM     90  CA  LEU C 105       4.348   5.300   4.284  1.00  0.00           C
ATOM     91  CA  VAL C 106       3.380   8.936   5.240  1.00  0.00           C
ATOM     92  CA  THR C 107      -0.140   7.708   4.316  1.00  0.00           C
ATOM     93  CA  ALA C 108      -0.292   4.468   6.436  1.00  0.00           C
ATOM     94  CA  ALA C 109      -0.120   6.032   9.956  1.00  0.00           C
ATOM     95  CA  LEU C 110      -2.936   8.632   9.492  1.00  0.00           C
ATOM     96  CA  ALA C 111      -5.752   5.968   9.448  1.00  0.00           C
ATOM     97  CA  THR C 112      -4.492   4.016  12.504  1.00  0.00           C
ATOM     98  CA  TRP C 113      -4.408   7.536  14.064  1.00  0.00           C
ATOM     99  CA  PHE C 114      -8.040   8.144  12.808  1.00  0.00           C
ATOM    100  CA  VAL C 115      -9.184   4.656  14.092  1.00  0.00           C
ATOM    101  CA  GLY C 116      -7.896   6.116  17.424  1.00  0.00           C
ATOM    102  CA  ARG C 117     -11.472   7.672  17.344  1.00  0.00           C
ATOM    103  CA  GLU C 118     -13.320   4.396  17.984  1.00  0.00           C
ATOM    104  CA  GLN C 119     -13.428   6.460  21.296  1.00  0.00           C
TER     105      GLN C 119
ATOM    106  CA  LEU D  86       0.728  21.584 -19.248  1.00  0.00           C
ATOM    107  CA  TRP D  87       0.088  21.516 -15.440  1.00  0.00           C
ATOM    108  CA  GLY D  88      -3.560  20.196 -15.456  1.00  0.00           C
ATOM    109  CA  ARG D  89      -2.164  16.632 -16.048  1.00  0.00           C
ATOM    110  CA  CYS D  90       0.256  17.148 -13.096  1.00  0.00           C
ATOM    111  CA  VAL D  91      -2.784  18.068 -10.896  1.00  0.00           C
ATOM    112  CA  ALA D  92      -4.476  14.904 -12.296  1.00  0.00           C
ATOM    113  CA  VAL D  93      -1.428  12.764 -11.216  1.00  0.00           C
ATOM    114  CA  VAL D  94      -1.508  14.456  -7.728  1.00  0.00           C
ATOM    115  CA  VAL D  95      -5.256  13.740  -7.128  1.00  0.00           C
ATOM    116  CA  MET D  96      -4.800  10.192  -8.604  1.00  0.00           C
ATOM    117  CA  VAL D  97      -1.940   9.288  -6.176  1.00  0.00           C
ATOM    118  CA  ALA D  98      -3.820  11.068  -3.308  1.00  0.00           C
ATOM    119  CA  GLY D  99      -6.952   8.964  -4.160  1.00  0.00           C
ATOM    120  CA  ILE D 100      -4.936   5.672  -4.264  1.00  0.00           C
ATOM    121  CA  THR D 101      -3.308   6.852  -0.968  1.00  0.00           C
ATOM    122  CA  SER D 102      -6.720   7.680   0.660  1.00  0.00           C
ATOM    123  CA  PHE D 103      -8.328   4.296  -0.152  1.00  0.00           C
ATOM    124  CA  GLY D 104      -5.040   2.548   0.924  1.00  0.00           C
ATOM    125  CA  LEU D 105      -5.312   4.640   4.164  1.00  0.00           C
ATOM    126  CA  VAL D 106      -8.908   3.552   5.108  1.00  0.00           C
ATOM    127  CA  THR D 107      -7.628   0.044   4.196  1.00  0.00           C
ATOM    128  CA  ALA D 108      -4.444   0.004   6.400  1.00  0.00           C
ATOM    129  CA  ALA D 109      -6.128   0.116   9.868  1.00  0.00           C
ATOM    130  CA  LEU D 110      -8.712  -2.716   9.400  1.00  0.00           C
ATOM    131  CA  ALA D 111      -6.048  -5.536   9.400  1.00  0.00           C
ATOM    132  CA  THR D 112      -4.080  -4.244  12.436  1.00  0.00           C
ATOM    133  CA  TRP D 113      -7.596  -4.164  14.004  1.00  0.00           C
ATOM    134  CA  PHE D 114      -8.176  -7.804  12.756  1.00  0.00           C
ATOM    135  CA  VAL D 115      -4.692  -8.932  14.056  1.00  0.00           C
ATOM    136  CA  GLY D 116      -6.160  -7.612  17.372  1.00  0.00           C
ATOM    137  CA  ARG D 117      -7.748 -11.172  17.320  1.00  0.00           C
ATOM    138  CA  GLU D 118      -4.496 -13.040  18.012  1.00  0.00           C
ATOM    139  CA  GLN D 119      -6.608 -13.148  21.296  1.00  0.00           C
TER     140      GLN D 119
END