USER PDBRUN 6 USER EYEPOS 35.321 12.532 142.393 USER ATPOS 35.321 12.532 24.346 USER WINDOW -19.039 19.039 -14.287 14.287 100.331 147.859 USER FOCUS 118.047 USER VIEWPORT 0.000 645.000 0.000 484.000 USER BGCOLOR 0.000 0.000 0.000 USER CNAME 1.000 0.000 0.000 red USER CNAME 0.000 0.000 1.000 blue USER CNAME 1.000 0.000 1.000 magenta USER FILE 0 3fxn HEADER ELECTRON TRANSPORT 16-DEC-77 3FXN COMPND FLAVODOXIN (OXIDIZED FORM) SOURCE (CLOSTRIDIUM MP) AUTHOR M.L.LUDWIG REVDAT 9 31-MAY-84 3FXNH 1 REMARK REVDAT 8 31-JAN-84 3FXNG 1 REMARK REVDAT 7 30-SEP-83 3FXNF 1 REVDAT REVDAT 6 02-MAR-82 3FXNE 1 REMARK REVDAT 5 20-APR-81 3FXND 1 HELIX SHEET REVDAT 4 31-DEC-80 3FXNC 1 REMARK REVDAT 3 07-APR-80 3FXNB 3 ATOM REVDAT 2 05-MAR-80 3FXNA 1 SOURCE REVDAT 1 16-MAR-78 3FXN 0 SPRSDE 16-MAR-78 3FXN 1FXN JRNL AUTH W.W.SMITH,R.M.BURNETT,G.D.DARLING,M.L.LUDWIG JRNL TITL STRUCTURE OF THE SEMIQUINONE FORM OF FLAVODOXIN JRNL TITL 2 FROM CLOSTRIDIUM MP. EXTENSION OF 1.8 ANGSTROMS JRNL TITL 3 RESOLUTION AND SOME COMPARISONS WITH THE OXIDIZED JRNL TITL 4 STATE JRNL REF J.MOL.BIOL. V. 117 195 1977 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 070 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.L.LUDWIG,R.M.BURNETT,G.D.DARLING,S.R.JORDAN, REMARK 1 AUTH 2 D.S.KENDALL,W.W.SMITH REMARK 1 TITL THE STRUCTURE OF CLOSTRIDIUM MP FLAVODOXIN AS A REMARK 1 TITL 2 FUNCTION OF OXIDATION STATE, SOME COMPARISONS OF REMARK 1 TITL 3 THE FMN-BINDING SITES IN OXIDIZED, SEMIQUINONE REMARK 1 TITL 4 AND REDUCED FORMS REMARK 1 EDIT T.P.SINGER REMARK 1 REF FLAVINS AND FLAVOPROTEINS 393 1976 REMARK 1 PUBL ELSEVIER SCIENTIFIC PUBL.CO.,AMSTERDAM REMARK 1 REFN ISBN 0-444-41458-4 991 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.G.MAYHEW,M.L.LUDWIG REMARK 1 TITL FLAVODOXINS AND ELECTRON-TRANSFERRING FLAVOPROTEINS REMARK 1 EDIT P.D.BOYER REMARK 1 REF THE ENZYMES,THIRD EDITION V. 12 57 1975 REMARK 1 PUBL ACADEMIC PRESS,NEW YORK REMARK 1 REFN ISBN 0-12-122712-X 436 REMARK 1 REFERENCE 3 REMARK 1 AUTH M.L.LUDWIG,R.M.BURNETT,G.D.DARLING,S.R.JORDAN, REMARK 1 AUTH 2 D.S.KENDALL,W.W.SMITH REMARK 1 TITL FLAVIN MONONUCLEOTIDE-PROTEIN INTERACTIONS IN REMARK 1 TITL 2 FLAVODOXIN FROM CLOSTRIDIUM /MP REMARK 1 EDIT M.SUNDARALINGAM,S.T.RAO REMARK 1 REF STRUCTURE AND CONFORMATION 407 1975 REMARK 1 REF 2 OF NUCLEIC ACIDS AND REMARK 1 REF 3 PROTEIN-NUCLEIC ACID REMARK 1 REF 4 INTERACTIONS REMARK 1 PUBL UNIVERSITY PARK PRESS,BALTIMORE,MD. REMARK 1 REFN ISBN 0-8391-0764-1 992 REMARK 1 REFERENCE 4 REMARK 1 AUTH R.M.BURNETT,G.D.DARLING,D.S.KENDALL,M.E.LE*QUESNE, REMARK 1 AUTH 2 S.G.MAYHEW,W.W.SMITH,M.L.LUDWIG REMARK 1 TITL THE STRUCTURE OF THE OXIDIZED FORM OF CLOSTRIDIAL REMARK 1 TITL 2 FLAVODOXIN AT 1.9 ANGSTROMS RESOLUTION REMARK 1 REF J.BIOL.CHEM. V. 249 4383 1974 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 REMARK 1 REFERENCE 5 REMARK 1 AUTH M.L.LUDWIG,R.D.ANDERSEN,P.A.APGAR,R.M.BURNETT, REMARK 1 AUTH 2 M.E.LE*QUESNE,S.G.MAYHEW REMARK 1 TITL THE STRUCTURE OF A CLOSTRIDIAL FLAVODOXIN,AN REMARK 1 TITL 2 ELECTRON-TRANSFERRING FLAVOPROTEIN, REMARK 1 TITL 3 $III.AN INTERPRETATION OF AN ELECTRON-DENSITY MAP REMARK 1 TITL 4 AT A NOMINAL RESOLUTION OF 3.25 ANGSTROMS REMARK 1 REF COLD SPRING HARBOR SYMP. V. 36 369 1972 REMARK 1 REF 2 QUANT.BIOL. REMARK 1 REFN ASTM CSHSAZ US ISSN 0091-7451 421 REMARK 1 REFERENCE 6 REMARK 1 AUTH M.L.LUDWIG,R.D.ANDERSEN,S.G.MAYHEW,V.MASSEY REMARK 1 TITL THE STRUCTURE OF A CLOSTRIDIAL FLAVODOXIN, REMARK 1 TITL 2 $I.CRYSTALLOGRAPHIC CHARACTERIZATION OF THE REMARK 1 TITL 3 OXIDIZED AND SEMIQUINONE FORMS REMARK 1 REF J.BIOL.CHEM. V. 244 6047 1969 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 REMARK 1 REFERENCE 7 REMARK 1 EDIT R.J.FELDMANN REMARK 1 REF ATLAS OF MACROMOLECULAR 382 1976 REMARK 1 REF 2 STRUCTURE ON MICROFICHE REMARK 1 PUBL TRACOR JITCO INC.,ROCKVILLE,MD. REMARK 1 REFN ISBN 0-917934-01-6 434 REMARK 1 REFERENCE 8 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 74 1976 REMARK 1 REF 2 AND STRUCTURE,SUPPLEMENT 2 REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, REMARK 1 PUBL 2 SILVER SPRING,MD. REMARK 1 REFN ISBN 0-912466-05-7 435 REMARK 2 REMARK 2 RESOLUTION. 1.9 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. THE STRUCTURE HAS BEEN REFINED BY A COMBINATION REMARK 3 OF DIFFERENCE-FOURIER, RECIPROCAL-SPACE, REAL-SPACE REMARK 3 (DIAMOND), AND GROUP-LEAST-SQUARES TECHNIQUES. THE REMARK 3 CONVENTIONAL CRYSTALLOGRAPHIC RESIDUAL (R-VALUE), REMARK 3 CALCULATED USING COORDINATES ADJUSTED BY THE REMARK 3 ENERGY-MINIMIZATION PROCEDURE OF LEVITT, AND THE REMARK 3 REFLECTIONS WITH D-SPACINGS BETWEEN 1.9 AND 5.0 ANGSTROMS REMARK 3 IS 0.214. THE LISTED COORDINATES SHOULD YIELD *IDEALIZED* REMARK 3 BOND LENGTHS. REMARK 4 REMARK 4 THE ORTHOGONAL AXIAL SYSTEM DEFINED BY THE DEPOSITOR IS NOT REMARK 4 THE DEFAULT SYSTEM. THE AXES TO WHICH THIS COORDINATE SET REMARK 4 RELATE HAS X PARALLEL TO CRYSTALLOGRAPHIC A*, Y PARALLEL REMARK 4 TO CRYSTALLOGRAPHIC B AND Z PARALLEL TO CRYSTALLOGRAPHIC C. REMARK 5 REMARK 5 A WATER MOLECULE IS INTERPOSED BETWEEN LEU-84 AND THR-113 REMARK 5 AND DISRUPTS THE REGULARITY OF STRANDS 4 AND 5 OF SHEET S1 REMARK 5 IN THIS REGION. REMARK 6 REMARK 6 SITE FMN COMPRISES THOSE RESIDUES WHICH INTERACT WITH THE REMARK 6 FMN PROSTHETIC GROUP. REMARK 7 REMARK 7 CORRECTION. STANDARDIZE FORMAT OF SOURCE RECORD. REMARK 7 05-MAR-80. REMARK 8 REMARK 8 CORRECTION. STANDARDIZE NOMENCLATURE TO FOLLOW IUPAC-IUB REMARK 8 RECOMMENDATIONS. INTERCHANGE CD1 AND CD2 FOR LEUCINES REMARK 8 18, 43, 44, 49, 51, 61, 84, 115. INTERCHANGE CG1 AND CG2 REMARK 8 FOR VALINES 4, 30, 35, 38, 60, 82, 109, 110, 111, 117. REMARK 8 07-APR-80. REMARK 9 REMARK 9 CORRECTION. STANDARDIZE FORMAT OF REMARK 2. 31-DEC-80. REMARK 10 REMARK 10 CORRECTION. CORRECT RESIDUE IDENTIFICATION ON HELIX 1 AND REMARK 10 STRAND 3 OF SHEET 1 RECORDS. 20-APR-81. REMARK 11 REMARK 11 CORRECTION. CHANGE CODENS FOR REFERENCES 1, 2, 3. REMARK 11 02-MAR-82. REMARK 12 REMARK 12 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83. REMARK 13 REMARK 13 CORRECTION. CORRECT CODEN FOR REFERENCE 2. 31-JAN-84. REMARK 14 REMARK 14 CORRECTION. CORRECT ISSN FOR REFERENCE 5. 31-MAY-84. SEQRES 1 138 MET LYS ILE VAL TYR TRP SER GLY THR GLY ASN THR GLU SEQRES 2 138 LYS MET ALA GLU LEU ILE ALA LYS GLY ILE ILE GLU SER SEQRES 3 138 GLY LYS ASP VAL ASN THR ILE ASN VAL SER ASP VAL ASN SEQRES 4 138 ILE ASP GLU LEU LEU ASN GLU ASP ILE LEU ILE LEU GLY SEQRES 5 138 CYS SER ALA MET GLY ASP GLU VAL LEU GLU GLU SER GLU SEQRES 6 138 PHE GLU PRO PHE ILE GLU GLU ILE SER THR LYS ILE SER SEQRES 7 138 GLY LYS LYS VAL ALA LEU PHE GLY SER TYR GLY TRP GLY SEQRES 8 138 ASP GLY LYS TRP MET ARG ASP PHE GLU GLU ARG MET ASN SEQRES 9 138 GLY TYR GLY CYS VAL VAL VAL GLU THR PRO LEU ILE VAL SEQRES 10 138 GLN ASN GLU PRO ASP GLU ALA GLU GLN ASP CYS ILE GLU SEQRES 11 138 PHE GLY LYS LYS ILE ALA ASN ILE FTNOTE 1 FTNOTE 1 THESE ATOMS ARE NOT WELL PLACED IN DENSITY. HET FMN 1 31 FLAVIN MONONUCLEOTIDE PROSTHETIC GROUP FORMUL 2 FMN C17 H19 N4 O9 P1 -- HELIX 1 1 GLY 10 GLY 27 1 HELIX 2 2 GLU 65 ILE 73 1 HELIX 3 3 GLY 93 ASN 104 1 HELIX 4 4 ALA 124 ALA 136 1 SHEET 1 1 5 ASP 29 VAL 35 0 SHEET 2 1 5 MET 1 TYR 5 1 N MET 1 O ASP 29 SHEET 3 1 5 LEU 49 CYS 53 1 N ILE 50 O LYS 2 SHEET 4 1 5 LYS 80 TYR 88 1 O LYS 81 N LEU 49 SHEET 5 1 5 VAL 109 ASN 119 1 N VAL 109 O LYS 80 TURN 1 1 ASN 34 ASP 37 TURN 2 2 VAL 35 VAL 38 TURN 3 3 ASN 39 GLU 42 TURN 4 4 LEU 43 GLU 46 TURN 5 5 MET 56 GLU 59 GLU 59 N H-BONDS TO FMN O4 TURN 6 6 ILE 77 LYS 80 TURN 7 7 PRO 121 ALA 124 SITE 1 FMN 17 SER 7 GLY 8 THR 9 GLY 10 SITE 2 FMN 17 ASN 11 THR 12 SER 54 ALA 55 SITE 3 FMN 17 MET 56 GLY 57 ASP 58 GLU 59 SITE 4 FMN 17 SER 87 TYR 88 GLY 89 TRP 90 SITE 5 FMN 17 GLY 91 CRYST1 61.560 61.560 70.360 90.00 90.00 120.00 P 31 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018757 0.000000 0.000000 0.00000 SCALE2 0.009379 0.016244 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014213 0.00000 USER COLOR 1.000 0.000 0.000 red,blue,0 USER RADIUS 1.800 ATOM 1 N MET 1 39.636 33.925 24.617 1.00 0.00 ATOM 2 CA MET 1 38.872 32.742 24.174 1.00 0.00 ATOM 3 C MET 1 38.246 32.021 25.372 1.00 0.00 USER RADIUS 1.500 ATOM 4 O MET 1 38.657 32.284 26.528 1.00 0.00 USER COLOR 1.000 0.030 0.000 red,blue,0.00729927 USER RADIUS 1.800 ATOM 5 N LYS 2 37.281 31.135 25.152 1.00 0.00 ATOM 6 CA LYS 2 36.763 30.321 26.278 1.00 0.00 ATOM 7 C LYS 2 36.909 28.808 26.072 1.00 0.00 USER RADIUS 1.500 ATOM 8 O LYS 2 36.503 28.269 25.016 1.00 0.00 USER COLOR 1.000 0.061 0.000 red,blue,0.0145985 USER RADIUS 1.800 ATOM 9 N ILE 3 37.190 28.089 27.134 1.00 0.00 ATOM 10 CA ILE 3 37.136 26.617 27.104 1.00 0.00 ATOM 11 C ILE 3 36.134 26.086 28.127 1.00 0.00 USER RADIUS 1.500 ATOM 12 O ILE 3 36.282 26.356 29.335 1.00 0.00 USER COLOR 1.000 0.091 0.000 red,blue,0.0218978 USER RADIUS 1.800 ATOM 13 N VAL 4 35.122 25.374 27.681 1.00 0.00 ATOM 14 CA VAL 4 34.091 24.818 28.576 1.00 0.00 ATOM 15 C VAL 4 34.064 23.292 28.521 1.00 0.00 USER RADIUS 1.500 ATOM 16 O VAL 4 34.279 22.732 27.420 1.00 0.00 USER COLOR 1.000 0.121 0.000 red,blue,0.0291971 USER RADIUS 1.800 ATOM 17 N TYR 5 34.120 22.663 29.687 1.00 0.00 ATOM 18 CA TYR 5 34.256 21.200 29.783 1.00 0.00 ATOM 19 C TYR 5 33.505 20.564 30.951 1.00 0.00 USER RADIUS 1.500 ATOM 20 O TYR 5 32.973 21.269 31.841 1.00 0.00 USER COLOR 1.000 0.152 0.000 red,blue,0.0364964 USER RADIUS 1.800 ATOM 21 N TRP 6 33.334 19.268 30.818 1.00 0.00 ATOM 22 CA TRP 6 32.862 18.365 31.868 1.00 0.00 ATOM 23 C TRP 6 33.876 17.231 32.001 1.00 0.00 USER RADIUS 1.500 ATOM 24 O TRP 6 34.450 16.822 30.964 1.00 0.00 USER COLOR 1.000 0.182 0.000 red,blue,0.0437956 USER RADIUS 1.800 ATOM 25 N SER 7 34.301 16.945 33.212 1.00 0.00 ATOM 26 CA SER 7 35.206 15.818 33.470 1.00 0.00 ATOM 27 C SER 7 34.815 15.119 34.764 1.00 0.00 USER RADIUS 1.500 ATOM 28 O SER 7 34.334 15.805 35.694 1.00 0.00 USER RADIUS 1.800 ATOM 29 CB SER 7 36.617 16.349 33.624 1.00 0.00 USER RADIUS 1.500 ATOM 30 OG SER 7 37.485 15.257 33.852 1.00 0.00 USER COLOR 1.000 0.212 0.000 red,blue,0.0510949 USER RADIUS 1.800 ATOM 31 N GLY 8 34.598 13.841 34.683 1.00 0.00 ATOM 32 CA GLY 8 34.049 13.106 35.823 1.00 0.00 ATOM 33 C GLY 8 35.105 12.580 36.786 1.00 0.00 USER RADIUS 1.500 ATOM 34 O GLY 8 34.808 12.409 37.994 1.00 0.00 USER COLOR 1.000 0.242 0.000 red,blue,0.0583942 USER RADIUS 1.800 ATOM 35 N THR 9 36.323 12.429 36.290 1.00 0.00 ATOM 36 CA THR 9 37.479 12.031 37.119 1.00 0.00 ATOM 37 C THR 9 38.719 12.907 36.903 1.00 0.00 USER RADIUS 1.500 ATOM 38 O THR 9 39.791 12.614 37.484 1.00 0.00 USER RADIUS 1.800 ATOM 39 CB THR 9 37.871 10.560 36.933 1.00 0.00 USER RADIUS 1.500 ATOM 40 OG1 THR 9 38.652 10.395 35.755 1.00 0.00 USER RADIUS 1.800 ATOM 41 CG2 THR 9 36.694 9.585 36.944 1.00 0.00 USER COLOR 1.000 0.273 0.000 red,blue,0.0656934 ATOM 42 N GLY 10 38.653 13.830 35.956 1.00 0.00 ATOM 43 CA GLY 10 39.783 14.756 35.704 1.00 0.00 ATOM 44 C GLY 10 40.529 14.609 34.370 1.00 0.00 USER RADIUS 1.500 ATOM 45 O GLY 10 41.512 15.360 34.150 1.00 0.00 USER COLOR 1.000 0.303 0.000 red,blue,0.0729927 USER RADIUS 1.800 ATOM 46 N ASN 11 40.241 13.558 33.609 1.00 0.00 ATOM 47 CA ASN 11 40.965 13.275 32.342 1.00 0.00 ATOM 48 C ASN 11 40.786 14.352 31.267 1.00 0.00 USER RADIUS 1.500 ATOM 49 O ASN 11 41.768 15.007 30.832 1.00 0.00 USER RADIUS 1.800 ATOM 50 CB ASN 11 40.618 11.887 31.779 1.00 0.00 ATOM 51 CG ASN 11 41.072 10.778 32.734 1.00 0.00 USER RADIUS 1.500 ATOM 52 OD1 ASN 11 40.473 9.674 32.780 1.00 0.00 USER RADIUS 1.800 ATOM 53 ND2 ASN 11 42.091 11.087 33.501 1.00 0.00 USER COLOR 1.000 0.333 0.000 red,blue,0.080292 ATOM 54 N THR 12 39.537 14.684 31.041 1.00 0.00 ATOM 55 CA THR 12 39.136 15.697 30.056 1.00 0.00 ATOM 56 C THR 12 39.421 17.085 30.607 1.00 0.00 USER RADIUS 1.500 ATOM 57 O THR 12 40.045 17.921 29.910 1.00 0.00 USER RADIUS 1.800 ATOM 58 CB THR 12 37.643 15.555 29.767 1.00 0.00 USER RADIUS 1.500 ATOM 59 OG1 THR 12 37.420 14.305 29.120 1.00 0.00 USER RADIUS 1.800 ATOM 60 CG2 THR 12 37.101 16.675 28.888 1.00 0.00 USER COLOR 1.000 0.364 0.000 red,blue,0.0875912 ATOM 61 N GLU 13 39.532 17.044 31.906 1.00 0.00 ATOM 62 CA GLU 13 39.824 18.268 32.628 1.00 0.00 ATOM 63 C GLU 13 41.286 18.686 32.469 1.00 0.00 USER RADIUS 1.500 ATOM 64 O GLU 13 41.589 19.876 32.202 1.00 0.00 USER COLOR 1.000 0.394 0.000 red,blue,0.0948905 USER RADIUS 1.800 ATOM 65 N LYS 14 42.147 17.701 32.537 1.00 0.00 ATOM 66 CA LYS 14 43.576 17.855 32.237 1.00 0.00 ATOM 67 C LYS 14 43.777 18.323 30.784 1.00 0.00 USER RADIUS 1.500 ATOM 68 O LYS 14 44.760 19.045 30.483 1.00 0.00 USER COLOR 1.000 0.424 0.000 red,blue,0.10219 USER RADIUS 1.800 ATOM 69 N MET 15 43.050 17.692 29.867 1.00 0.00 ATOM 70 CA MET 15 43.105 18.062 28.436 1.00 0.00 ATOM 71 C MET 15 42.833 19.544 28.217 1.00 0.00 USER RADIUS 1.500 ATOM 72 O MET 15 43.653 20.228 27.566 1.00 0.00 USER COLOR 1.000 0.455 0.000 red,blue,0.109489 USER RADIUS 1.800 ATOM 73 N ALA 16 41.812 20.036 28.888 1.00 0.00 ATOM 74 CA ALA 16 41.421 21.444 28.737 1.00 0.00 ATOM 75 C ALA 16 42.521 22.366 29.243 1.00 0.00 USER RADIUS 1.500 ATOM 76 O ALA 16 42.845 23.396 28.601 1.00 0.00 USER COLOR 1.000 0.485 0.000 red,blue,0.116788 USER RADIUS 1.800 ATOM 77 N GLU 17 43.188 21.841 30.249 1.00 0.00 ATOM 78 CA GLU 17 44.319 22.499 30.900 1.00 0.00 ATOM 79 C GLU 17 45.477 22.653 29.920 1.00 0.00 USER RADIUS 1.500 ATOM 80 O GLU 17 46.007 23.776 29.730 1.00 0.00 USER COLOR 1.000 0.515 0.000 red,blue,0.124088 USER RADIUS 1.800 ATOM 81 N LEU 18 45.805 21.535 29.298 1.00 0.00 ATOM 82 CA LEU 18 46.878 21.487 28.294 1.00 0.00 ATOM 83 C LEU 18 46.549 22.334 27.059 1.00 0.00 USER RADIUS 1.500 ATOM 84 O LEU 18 47.443 23.047 26.540 1.00 0.00 USER COLOR 1.000 0.545 0.000 red,blue,0.131387 USER RADIUS 1.800 ATOM 85 N ILE 19 45.278 22.308 26.649 1.00 0.00 ATOM 86 CA ILE 19 44.785 23.129 25.516 1.00 0.00 ATOM 87 C ILE 19 44.906 24.617 25.827 1.00 0.00 USER RADIUS 1.500 ATOM 88 O ILE 19 45.412 25.402 24.986 1.00 0.00 USER COLOR 1.000 0.576 0.000 red,blue,0.138686 USER RADIUS 1.800 ATOM 89 N ALA 20 44.638 24.940 27.076 1.00 0.00 ATOM 90 CA ALA 20 44.733 26.337 27.506 1.00 0.00 ATOM 91 C ALA 20 46.168 26.846 27.451 1.00 0.00 USER RADIUS 1.500 ATOM 92 O ALA 20 46.428 27.863 26.762 1.00 0.00 USER COLOR 1.000 0.606 0.000 red,blue,0.145985 USER RADIUS 1.800 ATOM 93 N LYS 21 47.066 25.941 27.786 1.00 0.00 ATOM 94 CA LYS 21 48.494 26.273 27.780 1.00 0.00 ATOM 95 C LYS 21 49.024 26.595 26.388 1.00 0.00 USER RADIUS 1.500 ATOM 96 O LYS 21 49.759 27.594 26.217 1.00 0.00 USER COLOR 1.000 0.636 0.000 red,blue,0.153285 USER RADIUS 1.800 ATOM 97 N GLY 22 48.594 25.788 25.439 1.00 0.00 ATOM 98 CA GLY 22 48.999 25.921 24.032 1.00 0.00 ATOM 99 C GLY 22 48.583 27.260 23.426 1.00 0.00 USER RADIUS 1.500 ATOM 100 O GLY 22 49.413 27.943 22.775 1.00 0.00 USER COLOR 1.000 0.667 0.000 red,blue,0.160584 USER RADIUS 1.800 ATOM 101 N ILE 23 47.348 27.643 23.722 1.00 0.00 ATOM 102 CA ILE 23 46.781 28.925 23.255 1.00 0.00 ATOM 103 C ILE 23 47.533 30.111 23.841 1.00 0.00 USER RADIUS 1.500 ATOM 104 O ILE 23 47.964 31.028 23.096 1.00 0.00 USER COLOR 1.000 0.697 0.000 red,blue,0.167883 USER RADIUS 1.800 ATOM 105 N ILE 24 47.932 29.911 25.078 1.00 0.00 ATOM 106 CA ILE 24 48.655 30.958 25.796 1.00 0.00 ATOM 107 C ILE 24 50.099 31.073 25.332 1.00 0.00 USER RADIUS 1.500 ATOM 108 O ILE 24 50.622 32.207 25.226 1.00 0.00 USER COLOR 1.000 0.727 0.000 red,blue,0.175182 USER RADIUS 1.800 ATOM 109 N GLU 25 50.740 29.932 25.134 1.00 0.00 ATOM 110 CA GLU 25 52.103 29.933 24.584 1.00 0.00 ATOM 111 C GLU 25 52.140 30.660 23.243 1.00 0.00 USER RADIUS 1.500 ATOM 112 O GLU 25 53.135 31.362 22.935 1.00 0.00 USER COLOR 1.000 0.758 0.000 red,blue,0.182482 USER RADIUS 1.800 ATOM 113 N SER 26 50.999 30.640 22.567 1.00 0.00 ATOM 114 CA SER 26 50.871 31.297 21.255 1.00 0.00 ATOM 115 C SER 26 50.651 32.792 21.415 1.00 0.00 USER RADIUS 1.500 ATOM 116 O SER 26 50.583 33.565 20.428 1.00 0.00 USER COLOR 1.000 0.788 0.000 red,blue,0.189781 USER RADIUS 1.800 ATOM 117 N GLY 27 50.445 33.107 22.667 1.00 0.00 ATOM 118 CA GLY 27 50.419 34.482 23.151 1.00 0.00 ATOM 119 C GLY 27 49.027 35.089 23.221 1.00 0.00 USER RADIUS 1.500 ATOM 120 O GLY 27 48.902 36.327 23.068 1.00 0.00 USER COLOR 1.000 0.818 0.000 red,blue,0.19708 USER RADIUS 1.800 ATOM 121 N LYS 28 48.022 34.237 23.197 1.00 0.00 ATOM 122 CA LYS 28 46.630 34.689 23.351 1.00 0.00 ATOM 123 C LYS 28 46.045 34.291 24.701 1.00 0.00 USER RADIUS 1.500 ATOM 124 O LYS 28 46.700 33.560 25.482 1.00 0.00 USER COLOR 1.000 0.848 0.000 red,blue,0.20438 USER RADIUS 1.800 ATOM 125 N ASP 29 45.001 34.998 25.054 1.00 0.00 ATOM 126 CA ASP 29 44.299 34.821 26.322 1.00 0.00 ATOM 127 C ASP 29 43.169 33.797 26.204 1.00 0.00 USER RADIUS 1.500 ATOM 128 O ASP 29 42.532 33.655 25.131 1.00 0.00 USER COLOR 1.000 0.879 0.000 red,blue,0.211679 USER RADIUS 1.800 ATOM 129 N VAL 30 43.068 32.977 27.220 1.00 0.00 ATOM 130 CA VAL 30 42.025 31.946 27.273 1.00 0.00 ATOM 131 C VAL 30 41.650 31.624 28.720 1.00 0.00 USER RADIUS 1.500 ATOM 132 O VAL 30 42.481 31.820 29.641 1.00 0.00 USER COLOR 1.000 0.909 0.000 red,blue,0.218978 USER RADIUS 1.800 ATOM 133 N ASN 31 40.412 31.213 28.913 1.00 0.00 ATOM 134 CA ASN 31 39.844 30.861 30.222 1.00 0.00 ATOM 135 C ASN 31 39.035 29.578 30.140 1.00 0.00 USER RADIUS 1.500 ATOM 136 O ASN 31 38.541 29.292 29.031 1.00 0.00 USER COLOR 1.000 0.939 0.000 red,blue,0.226277 USER RADIUS 1.800 ATOM 137 N THR 32 39.350 28.663 31.031 1.00 0.00 ATOM 138 CA THR 32 38.667 27.368 31.067 1.00 0.00 ATOM 139 C THR 32 37.679 27.310 32.223 1.00 0.00 USER RADIUS 1.500 ATOM 140 O THR 32 37.898 27.942 33.284 1.00 0.00 USER COLOR 1.000 0.970 0.000 red,blue,0.233577 USER RADIUS 1.800 ATOM 141 N ILE 33 36.491 26.966 31.851 1.00 0.00 ATOM 142 CA ILE 33 35.383 26.908 32.780 1.00 0.00 ATOM 143 C ILE 33 34.610 25.592 32.752 1.00 0.00 USER RADIUS 1.500 ATOM 144 O ILE 33 34.460 24.965 31.676 1.00 0.00 USER COLOR 1.000 1.000 0.000 red,blue,0.240876 USER RADIUS 1.800 ATOM 145 N ASN 34 34.344 25.078 33.935 1.00 0.00 ATOM 146 CA ASN 34 33.503 23.889 34.092 1.00 0.00 ATOM 147 C ASN 34 32.081 24.185 33.630 1.00 0.00 USER RADIUS 1.500 ATOM 148 O ASN 34 31.588 25.308 33.884 1.00 0.00 USER COLOR 0.971 1.000 0.000 red,blue,0.248175 USER RADIUS 1.800 ATOM 149 N VAL 35 31.503 23.274 32.874 1.00 0.00 ATOM 150 CA VAL 35 30.115 23.406 32.401 1.00 0.00 ATOM 151 C VAL 35 29.127 23.848 33.485 1.00 0.00 USER RADIUS 1.500 ATOM 152 O VAL 35 28.262 24.717 33.213 1.00 0.00 USER COLOR 0.943 1.000 0.000 red,blue,0.255474 USER RADIUS 1.800 ATOM 153 N SER 36 29.358 23.428 34.720 1.00 0.00 ATOM 154 CA SER 36 28.478 23.847 35.825 1.00 0.00 ATOM 155 C SER 36 28.597 25.336 36.080 1.00 0.00 USER RADIUS 1.500 ATOM 156 O SER 36 27.797 25.940 36.830 1.00 0.00 USER COLOR 0.914 1.000 0.000 red,blue,0.262774 USER RADIUS 1.800 ATOM 157 N ASP 37 29.707 25.863 35.702 1.00 0.00 ATOM 158 CA ASP 37 29.903 27.253 36.060 1.00 0.00 ATOM 159 C ASP 37 29.596 28.206 34.922 1.00 0.00 USER RADIUS 1.500 ATOM 160 O ASP 37 29.787 29.435 35.094 1.00 0.00 USER COLOR 0.886 1.000 0.000 red,blue,0.270073 USER RADIUS 1.800 ATOM 161 N VAL 38 29.023 27.669 33.861 1.00 0.00 ATOM 162 CA VAL 38 28.878 28.518 32.669 1.00 0.00 ATOM 163 C VAL 38 27.796 29.589 32.751 1.00 0.00 USER RADIUS 1.500 ATOM 164 O VAL 38 26.747 29.419 33.419 1.00 0.00 USER COLOR 0.857 1.000 0.000 red,blue,0.277372 USER RADIUS 1.800 ATOM 165 N ASN 39 28.071 30.619 31.991 1.00 0.00 ATOM 166 CA ASN 39 27.269 31.801 31.743 1.00 0.00 ATOM 167 C ASN 39 26.959 31.872 30.243 1.00 0.00 USER RADIUS 1.500 ATOM 168 O ASN 39 27.866 32.266 29.472 1.00 0.00 USER COLOR 0.829 1.000 0.000 red,blue,0.284672 USER RADIUS 1.800 ATOM 169 N ILE 40 25.893 31.177 29.834 1.00 0.00 ATOM 170 CA ILE 40 25.533 31.028 28.399 1.00 0.00 ATOM 171 C ILE 40 25.539 32.362 27.678 1.00 0.00 USER RADIUS 1.500 ATOM 172 O ILE 40 26.244 32.493 26.645 1.00 0.00 USER COLOR 0.800 1.000 0.000 red,blue,0.291971 USER RADIUS 1.800 ATOM 173 N ASP 41 24.955 33.333 28.371 1.00 0.00 ATOM 174 CA ASP 41 24.734 34.659 27.783 1.00 0.00 ATOM 175 C ASP 41 26.057 35.253 27.349 1.00 0.00 USER RADIUS 1.500 ATOM 176 O ASP 41 26.149 35.941 26.306 1.00 0.00 USER COLOR 0.771 1.000 0.000 red,blue,0.29927 USER RADIUS 1.800 ATOM 177 N GLU 42 27.056 34.902 28.125 1.00 0.00 ATOM 178 CA GLU 42 28.429 35.298 27.810 1.00 0.00 ATOM 179 C GLU 42 29.228 34.115 27.278 1.00 0.00 USER RADIUS 1.500 ATOM 180 O GLU 42 29.978 33.557 28.107 1.00 0.00 USER COLOR 0.743 1.000 0.000 red,blue,0.306569 USER RADIUS 1.800 ATOM 181 N LEU 43 29.467 34.066 25.975 1.00 0.00 ATOM 182 CA LEU 43 30.081 32.873 25.332 1.00 0.00 ATOM 183 C LEU 43 29.711 32.875 23.846 1.00 0.00 USER RADIUS 1.500 ATOM 184 O LEU 43 30.478 32.388 22.992 1.00 0.00 USER COLOR 0.714 1.000 0.000 red,blue,0.313869 USER RADIUS 1.800 ATOM 185 N LEU 44 28.451 33.165 23.610 1.00 0.00 ATOM 186 CA LEU 44 27.814 33.452 22.308 1.00 0.00 ATOM 187 C LEU 44 28.526 34.577 21.568 1.00 0.00 USER RADIUS 1.500 ATOM 188 O LEU 44 28.024 35.004 20.499 1.00 0.00 USER COLOR 0.686 1.000 0.000 red,blue,0.321168 USER RADIUS 1.800 ATOM 189 N ASN 45 29.244 35.373 22.326 1.00 0.00 ATOM 190 CA ASN 45 30.011 36.418 21.648 1.00 0.00 ATOM 191 C ASN 45 31.480 36.045 21.569 1.00 0.00 USER RADIUS 1.500 ATOM 192 O ASN 45 32.336 36.869 21.162 1.00 0.00 USER COLOR 0.657 1.000 0.000 red,blue,0.328467 USER RADIUS 1.800 ATOM 193 N GLU 46 31.653 34.745 21.611 1.00 0.00 ATOM 194 CA GLU 46 32.959 34.145 21.350 1.00 0.00 ATOM 195 C GLU 46 33.058 33.756 19.883 1.00 0.00 USER RADIUS 1.500 ATOM 196 O GLU 46 32.026 33.494 19.230 1.00 0.00 USER COLOR 0.629 1.000 0.000 red,blue,0.335766 USER RADIUS 1.800 ATOM 197 N ASP 47 34.167 34.116 19.304 1.00 0.00 ATOM 198 CA ASP 47 34.452 33.679 17.937 1.00 0.00 ATOM 199 C ASP 47 34.494 32.162 17.867 1.00 0.00 USER RADIUS 1.500 ATOM 200 O ASP 47 34.024 31.569 16.866 1.00 0.00 USER COLOR 0.600 1.000 0.000 red,blue,0.343066 USER RADIUS 1.800 ATOM 201 N ILE 48 35.288 31.617 18.766 1.00 0.00 ATOM 202 CA ILE 48 35.532 30.165 18.811 1.00 0.00 ATOM 203 C ILE 48 35.134 29.516 20.139 1.00 0.00 USER RADIUS 1.500 ATOM 204 O ILE 48 35.513 29.989 21.240 1.00 0.00 USER COLOR 0.571 1.000 0.000 red,blue,0.350365 USER RADIUS 1.800 ATOM 205 N LEU 49 34.229 28.566 20.047 1.00 0.00 ATOM 206 CA LEU 49 33.808 27.814 21.238 1.00 0.00 ATOM 207 C LEU 49 34.604 26.513 21.350 1.00 0.00 USER RADIUS 1.500 ATOM 208 O LEU 49 34.710 25.766 20.348 1.00 0.00 USER COLOR 0.543 1.000 0.000 red,blue,0.357664 USER RADIUS 1.800 ATOM 209 N ILE 50 35.376 26.373 22.407 1.00 0.00 ATOM 210 CA ILE 50 36.151 25.132 22.585 1.00 0.00 ATOM 211 C ILE 50 35.511 24.240 23.648 1.00 0.00 USER RADIUS 1.500 ATOM 212 O ILE 50 35.357 24.668 24.819 1.00 0.00 USER COLOR 0.514 1.000 0.000 red,blue,0.364964 USER RADIUS 1.800 ATOM 213 N LEU 51 34.881 23.176 23.180 1.00 0.00 ATOM 214 CA LEU 51 34.001 22.361 24.040 1.00 0.00 ATOM 215 C LEU 51 34.512 20.942 24.308 1.00 0.00 USER RADIUS 1.500 ATOM 216 O LEU 51 34.541 20.097 23.379 1.00 0.00 USER COLOR 0.486 1.000 0.000 red,blue,0.372263 USER RADIUS 1.800 ATOM 217 N GLY 52 34.534 20.576 25.575 1.00 0.00 ATOM 218 CA GLY 52 35.058 19.257 25.950 1.00 0.00 ATOM 219 C GLY 52 34.115 18.398 26.783 1.00 0.00 USER RADIUS 1.500 ATOM 220 O GLY 52 33.697 18.830 27.882 1.00 0.00 USER COLOR 0.457 1.000 0.000 red,blue,0.379562 USER RADIUS 1.800 ATOM 221 N CYS 53 34.238 17.117 26.569 1.00 0.00 ATOM 222 CA CYS 53 33.473 16.191 27.405 1.00 0.00 ATOM 223 C CYS 53 33.829 14.744 27.110 1.00 0.00 USER RADIUS 1.500 ATOM 224 O CYS 53 33.986 14.370 25.923 1.00 0.00 USER COLOR 0.429 1.000 0.000 red,blue,0.386861 USER RADIUS 1.800 ATOM 225 N SER 54 33.954 13.969 28.160 1.00 0.00 ATOM 226 CA SER 54 34.312 12.560 28.020 1.00 0.00 ATOM 227 C SER 54 33.154 11.684 27.548 1.00 0.00 USER RADIUS 1.500 ATOM 228 O SER 54 31.975 12.118 27.579 1.00 0.00 USER RADIUS 1.800 ATOM 229 CB SER 54 34.863 12.034 29.336 1.00 0.00 USER RADIUS 1.500 ATOM 230 OG SER 54 33.897 12.196 30.362 1.00 0.00 USER COLOR 0.400 1.000 0.000 red,blue,0.394161 USER RADIUS 1.800 ATOM 231 N ALA 55 33.484 10.481 27.132 1.00 0.00 ATOM 232 CA ALA 55 32.461 9.543 26.649 1.00 0.00 ATOM 233 C ALA 55 31.741 8.838 27.795 1.00 0.00 USER RADIUS 1.500 ATOM 234 O ALA 55 32.361 8.085 28.565 1.00 0.00 USER RADIUS 1.800 ATOM 235 CB ALA 55 33.126 8.422 25.840 1.00 0.00 USER COLOR 0.371 1.000 0.000 red,blue,0.40146 ATOM 236 N MET 56 30.451 9.086 27.899 1.00 0.00 ATOM 237 CA MET 56 29.590 8.272 28.768 1.00 0.00 ATOM 238 C MET 56 28.673 7.134 28.311 1.00 0.00 USER RADIUS 1.500 ATOM 239 O MET 56 28.673 6.751 27.133 1.00 0.00 USER RADIUS 1.800 ATOM 240 CB MET 56 28.765 9.364 29.486 1.00 0.00 ATOM 241 CG MET 56 29.490 10.401 30.318 1.00 0.00 USER RADIUS 1.850 ATOM 242 SD MET 56 30.177 9.514 31.708 1.00 0.00 USER RADIUS 1.800 ATOM 243 CE MET 56 31.897 9.655 31.310 1.00 0.00 USER COLOR 0.343 1.000 0.000 red,blue,0.408759 ATOM 244 N GLY 57 27.910 6.610 29.249 1.00 0.00 ATOM 245 CA GLY 57 26.757 5.765 28.906 1.00 0.00 ATOM 246 C GLY 57 26.362 5.187 27.547 1.00 0.00 USER RADIUS 1.500 ATOM 247 O GLY 57 25.261 5.455 27.042 1.00 0.00 USER COLOR 0.314 1.000 0.000 red,blue,0.416058 USER RADIUS 1.800 ATOM 248 N ASP 58 27.260 4.407 26.979 1.00 0.00 ATOM 249 CA ASP 58 27.073 3.913 25.608 1.00 0.00 ATOM 250 C ASP 58 27.401 4.909 24.498 1.00 0.00 USER RADIUS 1.500 ATOM 251 O ASP 58 26.575 5.165 23.609 1.00 0.00 USER COLOR 0.286 1.000 0.000 red,blue,0.423358 USER RADIUS 1.800 ATOM 252 N GLU 59 28.599 5.457 24.561 1.00 0.00 ATOM 253 CA GLU 59 29.005 6.504 23.613 1.00 0.00 ATOM 254 C GLU 59 28.138 7.755 23.452 1.00 0.00 USER RADIUS 1.500 ATOM 255 O GLU 59 27.767 8.128 22.329 1.00 0.00 USER RADIUS 1.800 ATOM 256 CB GLU 59 29.151 5.820 22.228 1.00 0.00 ATOM 257 CG GLU 59 30.127 4.628 22.147 1.00 0.00 ATOM 258 CD GLU 59 31.614 4.967 22.504 1.00 0.00 USER RADIUS 1.500 ATOM 259 OE1 GLU 59 32.330 4.180 23.066 1.00 0.00 ATOM 260 OE2 GLU 59 31.864 6.106 22.109 1.00 0.00 USER COLOR 0.257 1.000 0.000 red,blue,0.430657 USER RADIUS 1.800 ATOM 261 N VAL 60 27.832 8.384 24.569 1.00 0.00 ATOM 262 CA VAL 60 27.142 9.679 24.543 1.00 0.00 ATOM 263 C VAL 60 27.813 10.750 25.403 1.00 0.00 USER RADIUS 1.500 ATOM 264 O VAL 60 28.810 10.479 26.096 1.00 0.00 USER COLOR 0.229 1.000 0.000 red,blue,0.437956 USER RADIUS 1.800 ATOM 265 N LEU 61 27.275 11.951 25.351 1.00 0.00 ATOM 266 CA LEU 61 27.786 13.055 26.172 1.00 0.00 ATOM 267 C LEU 61 27.215 12.947 27.582 1.00 0.00 USER RADIUS 1.500 ATOM 268 O LEU 61 26.188 12.250 27.779 1.00 0.00 USER COLOR 0.200 1.000 0.000 red,blue,0.445255 USER RADIUS 1.800 ATOM 269 N GLU 62 27.902 13.483 28.563 1.00 0.00 ATOM 270 CA GLU 62 27.273 13.386 29.876 1.00 0.00 ATOM 271 C GLU 62 25.899 14.055 29.899 1.00 0.00 USER RADIUS 1.500 ATOM 272 O GLU 62 25.641 15.074 29.210 1.00 0.00 USER COLOR 0.171 1.000 0.000 red,blue,0.452555 USER RADIUS 1.800 ATOM 273 N GLU 63 25.011 13.284 30.466 1.00 0.00 ATOM 274 CA GLU 63 23.572 13.465 30.373 1.00 0.00 ATOM 275 C GLU 63 22.938 14.443 31.368 1.00 0.00 USER RADIUS 1.500 ATOM 276 O GLU 63 21.968 15.149 30.992 1.00 0.00 USER COLOR 0.143 1.000 0.000 red,blue,0.459854 USER RADIUS 1.800 ATOM 277 N SER 64 23.672 14.796 32.404 1.00 0.00 ATOM 278 CA SER 64 23.022 15.581 33.463 1.00 0.00 ATOM 279 C SER 64 23.401 17.059 33.497 1.00 0.00 USER RADIUS 1.500 ATOM 280 O SER 64 22.502 17.921 33.663 1.00 0.00 USER COLOR 0.114 1.000 0.000 red,blue,0.467153 USER RADIUS 1.800 ATOM 281 N GLU 65 24.601 17.308 32.995 1.00 0.00 ATOM 282 CA GLU 65 25.209 18.648 32.876 1.00 0.00 ATOM 283 C GLU 65 25.467 19.114 31.439 1.00 0.00 USER RADIUS 1.500 ATOM 284 O GLU 65 25.197 20.293 31.097 1.00 0.00 USER COLOR 0.086 1.000 0.000 red,blue,0.474453 USER RADIUS 1.800 ATOM 285 N PHE 66 26.155 18.279 30.687 1.00 0.00 ATOM 286 CA PHE 66 26.695 18.671 29.375 1.00 0.00 ATOM 287 C PHE 66 25.674 18.778 28.233 1.00 0.00 USER RADIUS 1.500 ATOM 288 O PHE 66 25.693 19.800 27.508 1.00 0.00 USER COLOR 0.057 1.000 0.000 red,blue,0.481752 USER RADIUS 1.800 ATOM 289 N GLU 67 25.042 17.667 27.876 1.00 0.00 ATOM 290 CA GLU 67 23.950 17.675 26.872 1.00 0.00 ATOM 291 C GLU 67 22.919 18.789 27.094 1.00 0.00 USER RADIUS 1.500 ATOM 292 O GLU 67 22.653 19.524 26.121 1.00 0.00 USER COLOR 0.029 1.000 0.000 red,blue,0.489051 USER RADIUS 1.800 ATOM 293 N PRO 68 22.390 18.986 28.310 1.00 0.00 ATOM 294 CA PRO 68 21.434 20.077 28.594 1.00 0.00 ATOM 295 C PRO 68 22.017 21.448 28.268 1.00 0.00 USER RADIUS 1.500 ATOM 296 O PRO 68 21.395 22.181 27.463 1.00 0.00 USER COLOR 0.000 1.000 0.000 red,blue,0.49635 USER RADIUS 1.800 ATOM 297 N PHE 69 23.296 21.587 28.586 1.00 0.00 ATOM 298 CA PHE 69 24.084 22.758 28.175 1.00 0.00 ATOM 299 C PHE 69 24.143 22.874 26.653 1.00 0.00 USER RADIUS 1.500 ATOM 300 O PHE 69 23.622 23.876 26.106 1.00 0.00 USER COLOR 0.000 1.000 0.029 red,blue,0.50365 USER RADIUS 1.800 ATOM 301 N ILE 70 24.400 21.748 26.007 1.00 0.00 ATOM 302 CA ILE 70 24.520 21.723 24.538 1.00 0.00 ATOM 303 C ILE 70 23.188 22.044 23.866 1.00 0.00 USER RADIUS 1.500 ATOM 304 O ILE 70 23.163 22.881 22.929 1.00 0.00 USER COLOR 0.000 1.000 0.059 red,blue,0.510949 USER RADIUS 1.800 ATOM 305 N GLU 71 22.134 21.423 24.405 1.00 0.00 ATOM 306 CA GLU 71 20.736 21.673 24.011 1.00 0.00 ATOM 307 C GLU 71 20.483 23.181 24.102 1.00 0.00 USER RADIUS 1.500 ATOM 308 O GLU 71 19.899 23.781 23.170 1.00 0.00 USER COLOR 0.000 1.000 0.088 red,blue,0.518248 USER RADIUS 1.800 ATOM 309 N GLU 72 20.727 23.732 25.272 1.00 0.00 ATOM 310 CA GLU 72 20.453 25.147 25.576 1.00 0.00 ATOM 311 C GLU 72 21.138 26.136 24.627 1.00 0.00 USER RADIUS 1.500 ATOM 312 O GLU 72 20.488 27.065 24.081 1.00 0.00 USER COLOR 0.000 1.000 0.118 red,blue,0.525547 USER RADIUS 1.800 ATOM 313 N ILE 73 22.383 25.855 24.307 1.00 0.00 ATOM 314 CA ILE 73 23.113 26.770 23.417 1.00 0.00 ATOM 315 C ILE 73 22.735 26.575 21.954 1.00 0.00 USER RADIUS 1.500 ATOM 316 O ILE 73 23.151 27.394 21.100 1.00 0.00 USER COLOR 0.000 1.000 0.147 red,blue,0.532847 USER RADIUS 1.800 ATOM 317 N SER 74 22.327 25.358 21.672 1.00 0.00 ATOM 318 CA SER 74 22.030 24.902 20.311 1.00 0.00 ATOM 319 C SER 74 21.329 25.919 19.405 1.00 0.00 USER RADIUS 1.500 ATOM 320 O SER 74 21.600 25.953 18.178 1.00 0.00 USER COLOR 0.000 1.000 0.176 red,blue,0.540146 USER RADIUS 1.800 ATOM 321 N THR 75 20.350 26.613 19.970 1.00 0.00 ATOM 322 CA THR 75 19.771 27.769 19.279 1.00 0.00 ATOM 323 C THR 75 20.779 28.896 19.194 1.00 0.00 USER RADIUS 1.500 ATOM 324 O THR 75 21.403 29.372 20.181 1.00 0.00 USER COLOR 0.000 1.000 0.206 red,blue,0.547445 USER RADIUS 1.800 ATOM 325 N LYS 76 21.087 29.091 17.974 1.00 0.00 ATOM 326 CA LYS 76 21.914 30.209 17.609 1.00 0.00 ATOM 327 C LYS 76 23.372 30.119 18.056 1.00 0.00 USER RADIUS 1.500 ATOM 328 O LYS 76 23.939 31.124 18.546 1.00 0.00 USER COLOR 0.000 1.000 0.235 red,blue,0.554745 USER RADIUS 1.800 ATOM 329 N ILE 77 24.004 29.104 17.517 1.00 0.00 ATOM 330 CA ILE 77 25.451 29.092 17.273 1.00 0.00 ATOM 331 C ILE 77 25.664 28.789 15.799 1.00 0.00 USER RADIUS 1.500 ATOM 332 O ILE 77 26.698 28.205 15.384 1.00 0.00 USER COLOR 0.000 1.000 0.265 red,blue,0.562044 USER RADIUS 1.800 ATOM 333 N SER 78 24.584 28.991 15.079 1.00 0.00 ATOM 334 CA SER 78 24.693 28.928 13.630 1.00 0.00 ATOM 335 C SER 78 25.813 29.857 13.162 1.00 0.00 USER RADIUS 1.500 ATOM 336 O SER 78 25.893 31.031 13.596 1.00 0.00 USER COLOR 0.000 1.000 0.294 red,blue,0.569343 USER RADIUS 1.800 ATOM 337 N GLY 79 26.734 29.307 12.421 1.00 0.00 ATOM 338 CA GLY 79 27.785 30.094 11.766 1.00 0.00 ATOM 339 C GLY 79 29.152 29.906 12.405 1.00 0.00 USER RADIUS 1.500 ATOM 340 O GLY 79 30.176 30.379 11.854 1.00 0.00 USER COLOR 0.000 1.000 0.324 red,blue,0.576642 USER RADIUS 1.800 ATOM 341 N LYS 80 29.024 29.778 13.693 1.00 0.00 ATOM 342 CA LYS 80 30.156 29.776 14.608 1.00 0.00 ATOM 343 C LYS 80 31.162 28.660 14.392 1.00 0.00 USER RADIUS 1.500 ATOM 344 O LYS 80 30.728 27.484 14.371 1.00 0.00 USER COLOR 0.000 1.000 0.353 red,blue,0.583942 USER RADIUS 1.800 ATOM 345 N LYS 81 32.389 29.009 14.744 1.00 0.00 ATOM 346 CA LYS 81 33.524 28.086 14.726 1.00 0.00 ATOM 347 C LYS 81 33.572 27.320 16.048 1.00 0.00 USER RADIUS 1.500 ATOM 348 O LYS 81 33.276 27.903 17.122 1.00 0.00 USER COLOR 0.000 1.000 0.382 red,blue,0.591241 USER RADIUS 1.800 ATOM 349 N VAL 82 33.700 26.015 15.963 1.00 0.00 ATOM 350 CA VAL 82 33.804 25.175 17.165 1.00 0.00 ATOM 351 C VAL 82 34.957 24.167 17.111 1.00 0.00 USER RADIUS 1.500 ATOM 352 O VAL 82 35.171 23.493 16.076 1.00 0.00 USER COLOR 0.000 1.000 0.412 red,blue,0.59854 USER RADIUS 1.800 ATOM 353 N ALA 83 35.668 24.023 18.212 1.00 0.00 ATOM 354 CA ALA 83 36.673 22.957 18.325 1.00 0.00 ATOM 355 C ALA 83 36.303 21.994 19.448 1.00 0.00 USER RADIUS 1.500 ATOM 356 O ALA 83 35.740 22.428 20.482 1.00 0.00 USER COLOR 0.000 1.000 0.441 red,blue,0.605839 USER RADIUS 1.800 ATOM 357 N LEU 84 36.455 20.715 19.190 1.00 0.00 ATOM 358 CA LEU 84 35.933 19.695 20.112 1.00 0.00 ATOM 359 C LEU 84 37.025 18.794 20.680 1.00 0.00 USER RADIUS 1.500 ATOM 360 O LEU 84 37.921 18.353 19.922 1.00 0.00 USER COLOR 0.000 1.000 0.471 red,blue,0.613139 USER RADIUS 1.800 ATOM 361 N PHE 85 36.862 18.387 21.926 1.00 0.00 ATOM 362 CA PHE 85 37.825 17.458 22.548 1.00 0.00 ATOM 363 C PHE 85 37.222 16.587 23.657 1.00 0.00 USER RADIUS 1.500 ATOM 364 O PHE 85 36.095 16.880 24.129 1.00 0.00 USER COLOR 0.000 1.000 0.500 red,blue,0.620438 USER RADIUS 1.800 ATOM 365 N GLY 86 37.949 15.547 24.086 1.00 0.00 ATOM 366 CA GLY 86 37.538 14.678 25.233 1.00 0.00 ATOM 367 C GLY 86 38.319 13.365 25.408 1.00 0.00 USER RADIUS 1.500 ATOM 368 O GLY 86 39.025 12.969 24.453 1.00 0.00 USER COLOR 0.000 1.000 0.529 red,blue,0.627737 USER RADIUS 1.800 ATOM 369 N SER 87 37.997 12.579 26.446 1.00 0.00 ATOM 370 CA SER 87 38.670 11.301 26.819 1.00 0.00 ATOM 371 C SER 87 37.662 10.161 26.786 1.00 0.00 USER RADIUS 1.500 ATOM 372 O SER 87 36.448 10.434 26.915 1.00 0.00 USER RADIUS 1.800 ATOM 373 CB SER 87 39.297 11.367 28.218 1.00 0.00 USER RADIUS 1.500 ATOM 374 OG SER 87 40.058 10.189 28.468 1.00 0.00 USER COLOR 0.000 1.000 0.559 red,blue,0.635036 USER RADIUS 1.800 ATOM 375 N TYR 88 38.115 8.951 26.576 1.00 0.00 ATOM 376 CA TYR 88 37.194 7.851 26.270 1.00 0.00 ATOM 377 C TYR 88 37.968 6.681 26.865 1.00 0.00 USER RADIUS 1.500 ATOM 378 O TYR 88 39.168 6.809 27.174 1.00 0.00 USER RADIUS 1.800 ATOM 379 CB TYR 88 36.939 7.651 24.760 1.00 0.00 ATOM 380 CG TYR 88 38.157 7.308 23.885 1.00 0.00 ATOM 381 CD1 TYR 88 38.987 8.350 23.456 1.00 0.00 ATOM 382 CD2 TYR 88 38.393 6.019 23.465 1.00 0.00 ATOM 383 CE1 TYR 88 40.124 8.041 22.621 1.00 0.00 ATOM 384 CE2 TYR 88 39.508 5.706 22.644 1.00 0.00 ATOM 385 CZ TYR 88 40.330 6.756 22.223 1.00 0.00 USER RADIUS 1.500 ATOM 386 OH TYR 88 41.398 6.464 21.408 1.00 0.00 USER COLOR 0.000 1.000 0.588 red,blue,0.642336 USER RADIUS 1.800 ATOM 387 N GLY 89 37.288 5.567 27.029 1.00 0.00 ATOM 388 CA GLY 89 37.970 4.298 27.320 1.00 0.00 ATOM 389 C GLY 89 38.057 3.116 26.354 1.00 0.00 USER RADIUS 1.500 ATOM 390 O GLY 89 39.028 2.988 25.591 1.00 0.00 USER COLOR 0.000 1.000 0.618 red,blue,0.649635 USER RADIUS 1.800 ATOM 391 N TRP 90 37.049 2.268 26.401 1.00 0.00 ATOM 392 CA TRP 90 37.115 0.974 25.710 1.00 0.00 ATOM 393 C TRP 90 36.854 1.239 24.227 1.00 0.00 USER RADIUS 1.500 ATOM 394 O TRP 90 37.069 0.362 23.375 1.00 0.00 USER RADIUS 1.800 ATOM 395 CB TRP 90 36.118 0.003 26.345 1.00 0.00 ATOM 396 CG TRP 90 34.738 0.561 26.848 1.00 0.00 ATOM 397 CD1 TRP 90 33.552 0.579 26.223 1.00 0.00 ATOM 398 CD2 TRP 90 34.489 1.103 28.113 1.00 0.00 ATOM 399 NE1 TRP 90 32.561 1.210 27.072 1.00 0.00 ATOM 400 CE2 TRP 90 33.116 1.472 28.188 1.00 0.00 ATOM 401 CE3 TRP 90 35.306 1.320 29.199 1.00 0.00 ATOM 402 CZ2 TRP 90 32.496 2.043 29.303 1.00 0.00 ATOM 403 CZ3 TRP 90 34.674 1.911 30.313 1.00 0.00 ATOM 404 CH2 TRP 90 33.323 2.220 30.373 1.00 0.00 USER COLOR 0.000 1.000 0.647 red,blue,0.656934 ATOM 405 N GLY 91 36.395 2.443 23.942 1.00 0.00 ATOM 406 CA GLY 91 35.429 2.643 22.854 1.00 0.00 ATOM 407 C GLY 91 36.395 3.000 21.728 1.00 0.00 USER RADIUS 1.500 ATOM 408 O GLY 91 37.625 2.923 21.898 1.00 0.00 USER COLOR 0.000 1.000 0.676 red,blue,0.664234 USER RADIUS 1.800 ATOM 409 N ASP 92 35.836 3.387 20.598 1.00 0.00 ATOM 410 CA ASP 92 36.654 3.897 19.489 1.00 0.00 ATOM 411 C ASP 92 36.499 5.317 18.928 1.00 0.00 USER RADIUS 1.500 ATOM 412 O ASP 92 36.777 5.561 17.738 1.00 0.00 USER COLOR 0.000 1.000 0.706 red,blue,0.671533 USER RADIUS 1.800 ATOM 413 N GLY 93 35.806 6.139 19.720 1.00 0.00 ATOM 414 CA GLY 93 35.249 7.483 19.390 1.00 0.00 ATOM 415 C GLY 93 33.868 7.669 18.717 1.00 0.00 USER RADIUS 1.500 ATOM 416 O GLY 93 33.668 8.802 18.217 1.00 0.00 USER COLOR 0.000 1.000 0.735 red,blue,0.678832 USER RADIUS 1.800 ATOM 417 N LYS 94 32.888 6.744 18.776 1.00 0.00 ATOM 418 CA LYS 94 31.548 7.013 18.182 1.00 0.00 ATOM 419 C LYS 94 30.946 8.256 18.809 1.00 0.00 USER RADIUS 1.500 ATOM 420 O LYS 94 30.542 9.167 18.045 1.00 0.00 USER COLOR 0.000 1.000 0.765 red,blue,0.686131 USER RADIUS 1.800 ATOM 421 N TRP 95 31.158 8.344 20.126 1.00 0.00 ATOM 422 CA TRP 95 30.563 9.442 20.902 1.00 0.00 ATOM 423 C TRP 95 31.042 10.758 20.330 1.00 0.00 USER RADIUS 1.500 ATOM 424 O TRP 95 30.219 11.646 19.995 1.00 0.00 USER COLOR 0.000 1.000 0.794 red,blue,0.693431 USER RADIUS 1.800 ATOM 425 N MET 96 32.238 10.632 19.817 1.00 0.00 ATOM 426 CA MET 96 32.885 11.818 19.300 1.00 0.00 ATOM 427 C MET 96 32.544 12.118 17.846 1.00 0.00 USER RADIUS 1.500 ATOM 428 O MET 96 32.442 13.296 17.420 1.00 0.00 USER COLOR 0.000 1.000 0.824 red,blue,0.70073 USER RADIUS 1.800 ATOM 429 N ARG 97 32.311 11.082 17.108 1.00 0.00 ATOM 430 CA ARG 97 31.860 11.360 15.757 1.00 0.00 ATOM 431 C ARG 97 30.457 11.960 15.748 1.00 0.00 USER RADIUS 1.500 ATOM 432 O ARG 97 30.162 12.945 15.024 1.00 0.00 USER COLOR 0.000 1.000 0.853 red,blue,0.708029 USER RADIUS 1.800 ATOM 433 N ASP 98 29.706 11.500 16.716 1.00 0.00 ATOM 434 CA ASP 98 28.316 11.917 16.832 1.00 0.00 ATOM 435 C ASP 98 28.208 13.353 17.324 1.00 0.00 USER RADIUS 1.500 ATOM 436 O ASP 98 27.409 14.143 16.769 1.00 0.00 USER COLOR 0.000 1.000 0.882 red,blue,0.715328 USER RADIUS 1.800 ATOM 437 N PHE 99 29.202 13.723 18.097 1.00 0.00 ATOM 438 CA PHE 99 29.250 15.067 18.681 1.00 0.00 ATOM 439 C PHE 99 29.661 16.112 17.634 1.00 0.00 USER RADIUS 1.500 ATOM 440 O PHE 99 29.010 17.183 17.529 1.00 0.00 USER COLOR 0.000 1.000 0.912 red,blue,0.722628 USER RADIUS 1.800 ATOM 441 N GLU 100 30.538 15.699 16.731 1.00 0.00 ATOM 442 CA GLU 100 30.926 16.560 15.598 1.00 0.00 ATOM 443 C GLU 100 29.735 16.749 14.656 1.00 0.00 USER RADIUS 1.500 ATOM 444 O GLU 100 29.256 17.899 14.483 1.00 0.00 USER COLOR 0.000 1.000 0.941 red,blue,0.729927 USER RADIUS 1.800 ATOM 445 N GLU 101 29.108 15.616 14.356 1.00 0.00 ATOM 446 CA GLU 101 27.950 15.549 13.447 1.00 0.00 ATOM 447 C GLU 101 26.792 16.404 13.935 1.00 0.00 USER RADIUS 1.500 ATOM 448 O GLU 101 26.254 17.252 13.180 1.00 0.00 USER COLOR 0.000 1.000 0.971 red,blue,0.737226 USER RADIUS 1.800 ATOM 449 N ARG 102 26.683 16.394 15.236 1.00 0.00 ATOM 450 CA ARG 102 25.628 17.156 15.879 1.00 0.00 ATOM 451 C ARG 102 25.864 18.657 15.718 1.00 0.00 USER RADIUS 1.500 ATOM 452 O ARG 102 24.935 19.388 15.295 1.00 0.00 USER COLOR 0.000 1.000 1.000 red,blue,0.744526 USER RADIUS 1.800 ATOM 453 N MET 103 27.090 19.081 15.997 1.00 0.00 ATOM 454 CA MET 103 27.423 20.516 15.922 1.00 0.00 ATOM 455 C MET 103 27.330 21.052 14.494 1.00 0.00 USER RADIUS 1.500 ATOM 456 O MET 103 26.856 22.193 14.279 1.00 0.00 USER COLOR 0.000 0.971 1.000 red,blue,0.751825 USER RADIUS 1.800 ATOM 457 N ASN 104 27.709 20.221 13.542 1.00 0.00 ATOM 458 CA ASN 104 27.426 20.544 12.136 1.00 0.00 ATOM 459 C ASN 104 25.929 20.711 11.855 1.00 0.00 USER RADIUS 1.500 ATOM 460 O ASN 104 25.536 21.688 11.173 1.00 0.00 USER COLOR 0.000 0.943 1.000 red,blue,0.759124 USER RADIUS 1.800 ATOM 461 N GLY 105 25.114 19.811 12.385 1.00 0.00 ATOM 462 CA GLY 105 23.651 19.860 12.171 1.00 0.00 ATOM 463 C GLY 105 23.000 21.147 12.679 1.00 0.00 USER RADIUS 1.500 ATOM 464 O GLY 105 21.885 21.527 12.238 1.00 0.00 USER COLOR 0.000 0.914 1.000 red,blue,0.766423 USER RADIUS 1.800 ATOM 465 N TYR 106 23.685 21.783 13.612 1.00 0.00 ATOM 466 CA TYR 106 23.189 23.021 14.234 1.00 0.00 ATOM 467 C TYR 106 23.643 24.257 13.467 1.00 0.00 USER RADIUS 1.500 ATOM 468 O TYR 106 23.207 25.401 13.752 1.00 0.00 USER COLOR 0.000 0.886 1.000 red,blue,0.773723 USER RADIUS 1.800 ATOM 469 N GLY 107 24.539 24.027 12.545 1.00 0.00 ATOM 470 CA GLY 107 24.975 25.124 11.683 1.00 0.00 ATOM 471 C GLY 107 26.341 25.642 12.097 1.00 0.00 USER RADIUS 1.500 ATOM 472 O GLY 107 26.729 26.775 11.736 1.00 0.00 USER COLOR 0.000 0.857 1.000 red,blue,0.781022 USER RADIUS 1.800 ATOM 473 N CYS 108 27.019 24.828 12.868 1.00 0.00 ATOM 474 CA CYS 108 28.356 25.189 13.345 1.00 0.00 ATOM 475 C CYS 108 29.468 24.809 12.381 1.00 0.00 USER RADIUS 1.500 ATOM 476 O CYS 108 29.387 23.761 11.702 1.00 0.00 USER COLOR 0.000 0.829 1.000 red,blue,0.788321 USER RADIUS 1.800 ATOM 477 N VAL 109 30.545 25.547 12.477 1.00 0.00 ATOM 478 CA VAL 109 31.783 25.216 11.760 1.00 0.00 ATOM 479 C VAL 109 32.845 24.587 12.675 1.00 0.00 USER RADIUS 1.500 ATOM 480 O VAL 109 33.590 25.352 13.330 1.00 0.00 USER COLOR 0.000 0.800 1.000 red,blue,0.79562 USER RADIUS 1.800 ATOM 481 N VAL 110 33.062 23.268 12.570 1.00 0.00 ATOM 482 CA VAL 110 34.169 22.511 13.230 1.00 0.00 ATOM 483 C VAL 110 35.516 22.800 12.551 1.00 0.00 USER RADIUS 1.500 ATOM 484 O VAL 110 35.648 22.621 11.316 1.00 0.00 USER COLOR 0.000 0.771 1.000 red,blue,0.80292 USER RADIUS 1.800 ATOM 485 N VAL 111 36.393 23.459 13.290 1.00 0.00 ATOM 486 CA VAL 111 37.638 24.046 12.771 1.00 0.00 ATOM 487 C VAL 111 38.739 23.037 12.408 1.00 0.00 USER RADIUS 1.500 ATOM 488 O VAL 111 39.260 22.958 11.268 1.00 0.00 USER COLOR 0.000 0.743 1.000 red,blue,0.810219 USER RADIUS 1.800 ATOM 489 N GLU 112 39.109 22.252 13.362 1.00 0.00 ATOM 490 CA GLU 112 40.125 21.243 13.119 1.00 0.00 ATOM 491 C GLU 112 39.577 19.932 13.662 1.00 0.00 USER RADIUS 1.500 ATOM 492 O GLU 112 38.369 19.942 13.999 1.00 0.00 USER COLOR 0.000 0.714 1.000 red,blue,0.817518 USER RADIUS 1.800 ATOM 493 N THR 113 40.162 18.847 13.214 1.00 0.00 ATOM 494 CA THR 113 39.778 17.499 13.670 1.00 0.00 ATOM 495 C THR 113 39.648 17.408 15.192 1.00 0.00 USER RADIUS 1.500 ATOM 496 O THR 113 40.562 17.880 15.910 1.00 0.00 USER COLOR 0.000 0.686 1.000 red,blue,0.824818 USER RADIUS 1.800 ATOM 497 N PRO 114 38.530 16.907 15.701 1.00 0.00 ATOM 498 CA PRO 114 38.354 16.677 17.150 1.00 0.00 ATOM 499 C PRO 114 39.490 15.874 17.786 1.00 0.00 USER RADIUS 1.500 ATOM 500 O PRO 114 40.054 14.938 17.166 1.00 0.00 USER COLOR 0.000 0.657 1.000 red,blue,0.832117 USER RADIUS 1.800 ATOM 501 N LEU 115 39.969 16.390 18.888 1.00 0.00 ATOM 502 CA LEU 115 41.064 15.754 19.625 1.00 0.00 ATOM 503 C LEU 115 40.559 14.775 20.677 1.00 0.00 USER RADIUS 1.500 ATOM 504 O LEU 115 39.948 15.179 21.696 1.00 0.00 USER COLOR 0.000 0.629 1.000 red,blue,0.839416 USER RADIUS 1.800 ATOM 505 N ILE 116 40.825 13.511 20.457 1.00 0.00 ATOM 506 CA ILE 116 40.465 12.546 21.492 1.00 0.00 ATOM 507 C ILE 116 41.664 11.834 22.114 1.00 0.00 USER RADIUS 1.500 ATOM 508 O ILE 116 42.593 11.384 21.402 1.00 0.00 USER COLOR 0.000 0.600 1.000 red,blue,0.846715 USER RADIUS 1.800 ATOM 509 N VAL 117 41.551 11.533 23.381 1.00 0.00 ATOM 510 CA VAL 117 42.645 10.853 24.087 1.00 0.00 ATOM 511 C VAL 117 42.137 9.722 24.981 1.00 0.00 USER RADIUS 1.500 ATOM 512 O VAL 117 41.192 9.963 25.767 1.00 0.00 USER COLOR 0.000 0.571 1.000 red,blue,0.854015 USER RADIUS 1.800 ATOM 513 N GLN 118 42.677 8.512 24.832 1.00 0.00 ATOM 514 CA GLN 118 42.291 7.382 25.703 1.00 0.00 ATOM 515 C GLN 118 42.724 7.634 27.140 1.00 0.00 USER RADIUS 1.500 ATOM 516 O GLN 118 43.936 7.882 27.345 1.00 0.00 USER COLOR 0.000 0.543 1.000 red,blue,0.861314 USER RADIUS 1.800 ATOM 517 N ASN 119 41.766 7.838 28.029 1.00 0.00 ATOM 518 CA ASN 119 42.064 7.971 29.471 1.00 0.00 ATOM 519 C ASN 119 42.813 9.259 29.827 1.00 0.00 USER RADIUS 1.500 ATOM 520 O ASN 119 42.595 10.340 29.225 1.00 0.00 USER COLOR 0.000 0.514 1.000 red,blue,0.868613 USER RADIUS 1.800 ATOM 521 N GLU 120 43.764 9.136 30.718 1.00 0.00 ATOM 522 CA GLU 120 44.569 10.294 31.112 1.00 0.00 ATOM 523 C GLU 120 45.616 10.545 30.036 1.00 0.00 USER RADIUS 1.500 ATOM 524 O GLU 120 46.394 9.631 29.671 1.00 0.00 USER COLOR 0.000 0.486 1.000 red,blue,0.875912 USER RADIUS 1.800 ATOM 525 N PRO 121 45.741 11.803 29.741 1.00 0.00 ATOM 526 CA PRO 121 46.642 12.336 28.714 1.00 0.00 ATOM 527 C PRO 121 48.094 11.851 28.745 1.00 0.00 USER RADIUS 1.500 ATOM 528 O PRO 121 48.368 10.979 27.887 1.00 0.00 USER COLOR 0.000 0.457 1.000 red,blue,0.883212 USER RADIUS 1.800 ATOM 529 N ASP 122 48.776 12.014 29.883 1.00 0.00 ATOM 530 CA ASP 122 50.186 11.632 30.063 1.00 0.00 ATOM 531 C ASP 122 50.962 11.857 28.778 1.00 0.00 USER RADIUS 1.500 ATOM 532 O ASP 122 51.957 12.615 28.754 1.00 0.00 USER COLOR 0.000 0.429 1.000 red,blue,0.890511 USER RADIUS 1.800 ATOM 533 N GLU 123 50.965 10.727 28.148 1.00 0.00 ATOM 534 CA GLU 123 51.616 10.498 26.874 1.00 0.00 ATOM 535 C GLU 123 51.341 11.565 25.816 1.00 0.00 USER RADIUS 1.500 ATOM 536 O GLU 123 52.118 11.653 24.836 1.00 0.00 USER COLOR 0.000 0.400 1.000 red,blue,0.89781 USER RADIUS 1.800 ATOM 537 N ALA 124 50.082 11.908 25.714 1.00 0.00 ATOM 538 CA ALA 124 49.656 12.785 24.618 1.00 0.00 ATOM 539 C ALA 124 49.691 14.250 25.018 1.00 0.00 USER RADIUS 1.500 ATOM 540 O ALA 124 48.817 15.029 24.564 1.00 0.00 USER COLOR 0.000 0.371 1.000 red,blue,0.905109 USER RADIUS 1.800 ATOM 541 N GLU 125 50.252 14.401 26.189 1.00 0.00 ATOM 542 CA GLU 125 50.468 15.721 26.769 1.00 0.00 ATOM 543 C GLU 125 50.779 16.810 25.736 1.00 0.00 USER RADIUS 1.500 ATOM 544 O GLU 125 50.060 17.838 25.667 1.00 0.00 USER COLOR 0.000 0.343 1.000 red,blue,0.912409 USER RADIUS 1.800 ATOM 545 N GLN 126 51.805 16.595 24.937 1.00 0.00 ATOM 546 CA GLN 126 52.142 17.583 23.906 1.00 0.00 ATOM 547 C GLN 126 51.061 17.648 22.826 1.00 0.00 USER RADIUS 1.500 ATOM 548 O GLN 126 50.847 18.734 22.232 1.00 0.00 USER COLOR 0.000 0.314 1.000 red,blue,0.919708 USER RADIUS 1.800 ATOM 549 N ASP 127 50.336 16.548 22.646 1.00 0.00 ATOM 550 CA ASP 127 49.282 16.513 21.611 1.00 0.00 ATOM 551 C ASP 127 48.148 17.483 21.922 1.00 0.00 USER RADIUS 1.500 ATOM 552 O ASP 127 47.753 18.286 21.039 1.00 0.00 USER COLOR 0.000 0.286 1.000 red,blue,0.927007 USER RADIUS 1.800 ATOM 553 N CYS 128 48.000 17.687 23.211 1.00 0.00 ATOM 554 CA CYS 128 46.958 18.581 23.714 1.00 0.00 ATOM 555 C CYS 128 47.369 20.042 23.586 1.00 0.00 USER RADIUS 1.500 ATOM 556 O CYS 128 46.553 20.892 23.148 1.00 0.00 USER COLOR 0.000 0.257 1.000 red,blue,0.934307 USER RADIUS 1.800 ATOM 557 N ILE 129 48.595 20.299 24.009 1.00 0.00 ATOM 558 CA ILE 129 49.233 21.604 23.789 1.00 0.00 ATOM 559 C ILE 129 49.183 22.030 22.320 1.00 0.00 USER RADIUS 1.500 ATOM 560 O ILE 129 48.741 23.166 22.019 1.00 0.00 USER COLOR 0.000 0.229 1.000 red,blue,0.941606 USER RADIUS 1.800 ATOM 561 N GLU 130 49.513 21.117 21.419 1.00 0.00 ATOM 562 CA GLU 130 49.537 21.488 19.996 1.00 0.00 ATOM 563 C GLU 130 48.161 21.837 19.437 1.00 0.00 USER RADIUS 1.500 ATOM 564 O GLU 130 48.057 22.609 18.453 1.00 0.00 USER COLOR 0.000 0.200 1.000 red,blue,0.948905 USER RADIUS 1.800 ATOM 565 N PHE 131 47.176 21.157 19.977 1.00 0.00 ATOM 566 CA PHE 131 45.775 21.432 19.653 1.00 0.00 ATOM 567 C PHE 131 45.406 22.886 19.965 1.00 0.00 USER RADIUS 1.500 ATOM 568 O PHE 131 44.770 23.560 19.118 1.00 0.00 USER COLOR 0.000 0.171 1.000 red,blue,0.956204 USER RADIUS 1.800 ATOM 569 N GLY 132 45.807 23.357 21.138 1.00 0.00 ATOM 570 CA GLY 132 45.572 24.762 21.513 1.00 0.00 ATOM 571 C GLY 132 46.195 25.715 20.498 1.00 0.00 USER RADIUS 1.500 ATOM 572 O GLY 132 45.499 26.594 19.933 1.00 0.00 USER COLOR 0.000 0.143 1.000 red,blue,0.963504 USER RADIUS 1.800 ATOM 573 N LYS 133 47.368 25.310 20.073 1.00 0.00 ATOM 574 CA LYS 133 48.132 26.126 19.133 1.00 0.00 ATOM 575 C LYS 133 47.464 26.198 17.762 1.00 0.00 USER RADIUS 1.500 ATOM 576 O LYS 133 47.542 27.247 17.074 1.00 0.00 USER COLOR 0.000 0.114 1.000 red,blue,0.970803 USER RADIUS 1.800 ATOM 577 N LYS 134 47.009 25.048 17.320 1.00 0.00 ATOM 578 CA LYS 134 46.193 24.964 16.108 1.00 0.00 ATOM 579 C LYS 134 45.018 25.949 16.126 1.00 0.00 USER RADIUS 1.500 ATOM 580 O LYS 134 44.915 26.814 15.219 1.00 0.00 USER COLOR 0.000 0.086 1.000 red,blue,0.978102 USER RADIUS 1.800 ATOM 581 N ILE 135 44.270 25.938 17.232 1.00 0.00 ATOM 582 CA ILE 135 43.095 26.830 17.395 1.00 0.00 ATOM 583 C ILE 135 43.530 28.272 17.584 1.00 0.00 USER RADIUS 1.500 ATOM 584 O ILE 135 42.894 29.219 17.062 1.00 0.00 USER COLOR 0.000 0.057 1.000 red,blue,0.985401 USER RADIUS 1.800 ATOM 585 N ALA 136 44.768 28.390 17.928 1.00 0.00 ATOM 586 CA ALA 136 45.239 29.752 18.061 1.00 0.00 ATOM 587 C ALA 136 45.736 30.291 16.720 1.00 0.00 USER RADIUS 1.500 ATOM 588 O ALA 136 45.899 31.523 16.549 1.00 0.00 USER COLOR 0.000 0.029 1.000 red,blue,0.992701 USER RADIUS 1.800 ATOM 589 N ASN 137 45.860 29.402 15.751 1.00 0.00 ATOM 590 CA ASN 137 46.296 29.837 14.408 1.00 0.00 ATOM 591 C ASN 137 45.075 30.103 13.518 1.00 0.00 USER RADIUS 1.500 ATOM 592 O ASN 137 45.106 30.038 12.265 1.00 0.00 USER COLOR 0.000 0.000 1.000 red,blue,1 USER RADIUS 1.800 ATOM 593 N ILE 138 43.923 30.186 14.135 1.00 0.00 ATOM 594 CA ILE 138 42.737 30.301 13.269 1.00 0.00 ATOM 595 C ILE 138 42.287 31.715 12.923 1.00 0.00 USER RADIUS 1.500 ATOM 596 O ILE 138 42.067 31.998 11.718 1.00 0.00 TER 597 ILE 138 USER COLOR 1.000 0.000 1.000 magenta USER RADIUS 1.800 HETATM 598 N1 FMN 1 34.432 5.199 27.518 1.00 0.00 HETATM 599 C2 FMN 1 34.195 4.895 26.205 1.00 0.00 USER RADIUS 1.500 HETATM 600 O2 FMN 1 35.070 4.871 25.368 1.00 0.00 USER RADIUS 1.800 HETATM 601 N3 FMN 1 32.887 4.593 25.782 1.00 0.00 HETATM 602 C4 FMN 1 31.793 4.576 26.591 1.00 0.00 USER RADIUS 1.500 HETATM 603 O4 FMN 1 30.681 4.309 26.179 1.00 0.00 USER RADIUS 1.800 HETATM 604 C4A FMN 1 32.065 4.907 28.012 1.00 0.00 HETATM 605 N5 FMN 1 31.065 4.908 28.840 1.00 0.00 HETATM 606 C5A FMN 1 31.315 5.218 30.151 1.00 0.00 HETATM 607 C6 FMN 1 30.226 5.224 31.045 1.00 0.00 HETATM 608 C7 FMN 1 30.397 5.525 32.371 1.00 0.00 HETATM 609 C7M FMN 1 29.225 5.525 33.309 1.00 0.00 HETATM 610 C8 FMN 1 31.707 5.828 32.806 1.00 0.00 HETATM 611 C8M FMN 1 31.954 6.165 34.250 1.00 0.00 HETATM 612 C9 FMN 1 32.791 5.831 31.952 1.00 0.00 HETATM 613 C9A FMN 1 32.626 5.526 30.601 1.00 0.00 HETATM 614 N10 FMN 1 33.662 5.505 29.676 1.00 0.00 HETATM 615 C10 FMN 1 33.433 5.204 28.367 1.00 0.00 HETATM 616 C1* FMN 1 35.047 5.783 30.104 1.00 0.00 HETATM 617 C2* FMN 1 35.376 7.279 30.176 1.00 0.00 USER RADIUS 1.500 HETATM 618 O2* FMN 1 35.049 8.139 29.081 1.00 0.00 USER RADIUS 1.800 HETATM 619 C3* FMN 1 36.867 7.371 30.480 1.00 0.00 USER RADIUS 1.500 HETATM 620 O3* FMN 1 37.128 6.934 31.816 1.00 0.00 USER RADIUS 1.800 HETATM 621 C4* FMN 1 37.336 8.814 30.338 1.00 0.00 USER RADIUS 1.500 HETATM 622 O4* FMN 1 38.760 8.764 30.464 1.00 0.00 USER RADIUS 1.800 HETATM 623 C5* FMN 1 36.762 9.825 31.323 1.00 0.00 USER RADIUS 1.500 HETATM 624 O5* FMN 1 37.159 11.191 31.341 1.00 0.00 USER RADIUS 1.900 HETATM 625 P FMN 1 36.810 12.181 32.561 1.00 0.00 USER RADIUS 1.500 HETATM 626 OP1 FMN 1 35.322 12.146 32.813 1.00 0.00 HETATM 627 OP2 FMN 1 37.197 13.508 31.955 1.00 0.00 HETATM 628 OP3 FMN 1 37.558 11.967 33.855 1.00 0.00 TER 629 FMN 1 CONECT 598 599 615 CONECT 599 598 600 601 CONECT 600 599 CONECT 601 599 602 CONECT 602 601 603 604 CONECT 603 602 CONECT 604 602 605 615 CONECT 605 604 606 CONECT 606 605 607 613 CONECT 607 606 608 CONECT 608 607 609 610 CONECT 609 608 CONECT 610 608 611 612 CONECT 611 610 CONECT 612 610 613 CONECT 613 606 612 614 CONECT 614 613 615 616 CONECT 615 598 604 614 CONECT 616 614 617 CONECT 617 616 618 619 CONECT 618 617 CONECT 619 617 620 621 CONECT 620 619 CONECT 621 619 622 623 CONECT 622 621 CONECT 623 621 624 CONECT 624 623 625 CONECT 625 624 626 627 628 CONECT 626 625 CONECT 627 625 CONECT 628 625 MASTER 115 2 1 4 5 7 5 6 627 2 31 11 END