HEADER ELECTRON TRANSPORT 20-AUG-98 1BQX TITLE ARTIFICIAL FE8S8 FERREDOXIN: THE D13C VARIANT OF BACILLUS TITLE 2 SCHLEGELII FE7S8 FERREDOXIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (FERREDOXIN); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SCHLEGELII; SOURCE 3 ORGANISM_TAXID: 1484; SOURCE 4 ATCC: ATCC 43741; SOURCE 5 COLLECTION: ATCC 43741; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: JM 109; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PKKFD D13C KEYWDS IRON-SULFUR PROTEIN, ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR S.AONO,D.BENTROP,I.BERTINI,G.COSENZA,C.LUCHINAT REVDAT 3 24-FEB-09 1BQX 1 VERSN REVDAT 2 29-DEC-99 1BQX 4 HEADER COMPND REMARK JRNL REVDAT 2 2 4 ATOM SOURCE SEQRES REVDAT 1 26-AUG-98 1BQX 0 JRNL AUTH S.AONO,D.BENTROP,I.BERTINI,G.COSENZA,C.LUCHINAT JRNL TITL SOLUTION STRUCTURE OF AN ARTIFICIAL FE8S8 JRNL TITL 2 FERREDOXIN: THE D13C VARIANT OF BACILLUS JRNL TITL 3 SCHLEGELII FE7S8 FERREDOXIN. JRNL REF EUR.J.BIOCHEM. V. 258 502 1998 JRNL REFN ISSN 0014-2956 JRNL PMID 9874217 JRNL DOI 10.1046/J.1432-1327.1998.2580502.X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.AONO,D.BENTROP,I.BERTINI,C.LUCHINAT,R.MACINAI REMARK 1 TITL THE D13C VARIANT OF BACILLUS SCHLEGELII 7FE REMARK 1 TITL 2 FERREDOXIN IS AN 8FE FERREDOXIN AS REVEALED BY REMARK 1 TITL 3 1H-NMR SPECTROSCOPY REMARK 1 REF FEBS LETT. V. 412 501 1997 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 4.1 REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON, REMARK 3 SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE CALCULATIONS WERE REMARK 3 CARRIED OUT WITH THE TORSION ANGLE DYNAMICS PROGRAM DYANA (BY REMARK 3 GUENTERT,MUMENTHALER,WUETHRICH). THE 20 STRUCTURES OF THE REMARK 3 DYANA FAMILY WITH THE LOWEST TARGET FUNCTION VALUES WERE REMARK 3 REFINED BY RESTRAINED ENERGY MINIMIZATION(REM) AND RESTRAINED REMARK 3 MOLECULAR DYNAMICS (RMD) IN VACUO. THE STRUCTURE IN THIS ENTRY REMARK 3 REPRESENTS THE MINIMIZED AVERAGE STRUCTURE OF THE RMD FAMILY. REMARK 3 REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1BQX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB008319. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 20 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, COSY, TOCSY, 1D-NOE REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE500, AVANCE600, REMARK 210 AVANCE800 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA, AMBER REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, REMARK 210 RESTRAINED ENERGY REMARK 210 MINIMIZATION, RESTRAINED REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 500 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MINIMIZED AVERAGE STRUCTURE. THE STRUCTURE WAS REMARK 210 DETERMINED USING 1H NMR SPECTROSCOPY. EXPERIMENTAL DETAILS CAN REMARK 210 BE FOUND IN THE JRNL CITATION ABOVE. 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: 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 THR A 5 -97.71 -143.92 REMARK 500 GLU A 6 -52.54 -127.18 REMARK 500 PRO A 7 31.35 -70.37 REMARK 500 THR A 11 84.85 15.48 REMARK 500 LYS A 12 58.38 75.99 REMARK 500 SER A 15 -57.44 -155.84 REMARK 500 VAL A 17 -92.22 -126.74 REMARK 500 GLU A 18 32.18 -75.69 REMARK 500 ASP A 23 61.96 36.71 REMARK 500 GLU A 29 -61.84 65.24 REMARK 500 ILE A 40 38.60 -90.99 REMARK 500 PRO A 50 26.02 -75.15 REMARK 500 SER A 52 98.48 63.12 REMARK 500 ALA A 53 -21.37 -154.43 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 TYR A 33 0.10 SIDE_CHAIN REMARK 500 TYR A 55 0.21 SIDE_CHAIN REMARK 500 ARG A 72 0.15 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 78 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 79 DBREF 1BQX A 1 77 UNP Q45560 FER_BACSC 1 77 SEQADV 1BQX CYS A 13 UNP Q45560 ASP 13 ENGINEERED SEQRES 1 A 77 ALA TYR VAL ILE THR GLU PRO CYS ILE GLY THR LYS CYS SEQRES 2 A 77 ALA SER CYS VAL GLU VAL CYS PRO VAL ASP CYS ILE HIS SEQRES 3 A 77 GLU GLY GLU ASP GLN TYR TYR ILE ASP PRO ASP VAL CYS SEQRES 4 A 77 ILE ASP CYS GLY ALA CYS GLU ALA VAL CYS PRO VAL SER SEQRES 5 A 77 ALA ILE TYR HIS GLU ASP PHE VAL PRO GLU GLU TRP LYS SEQRES 6 A 77 SER TYR ILE GLN LYS ASN ARG ASP PHE PHE LYS LYS HET SF4 A 78 8 HET SF4 A 79 8 HETNAM SF4 IRON/SULFUR CLUSTER FORMUL 2 SF4 2(FE4 S4) HELIX 1 1 ALA A 44 VAL A 48 1 5 HELIX 2 2 GLU A 62 PHE A 75 1 14 SHEET 1 A 2 ILE A 25 GLU A 27 0 SHEET 2 A 2 TYR A 32 ILE A 34 -1 N TYR A 33 O HIS A 26 LINK FE1 SF4 A 78 SG CYS A 8 1555 1555 2.03 LINK FE2 SF4 A 78 SG CYS A 13 1555 1555 2.05 LINK FE3 SF4 A 78 SG CYS A 16 1555 1555 2.10 LINK FE4 SF4 A 78 SG CYS A 49 1555 1555 2.03 LINK FE1 SF4 A 79 SG CYS A 20 1555 1555 2.07 LINK FE2 SF4 A 79 SG CYS A 39 1555 1555 2.05 LINK FE3 SF4 A 79 SG CYS A 42 1555 1555 2.10 LINK FE4 SF4 A 79 SG CYS A 45 1555 1555 2.04 SITE 1 AC1 7 CYS A 8 CYS A 13 SER A 15 CYS A 16 SITE 2 AC1 7 TYR A 32 CYS A 49 ILE A 54 SITE 1 AC2 7 CYS A 20 CYS A 24 ILE A 34 CYS A 39 SITE 2 AC2 7 ILE A 40 CYS A 42 CYS A 45 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 ALA A 1 -6.596 2.667 7.709 1.00 0.00 N ATOM 2 CA ALA A 1 -6.143 2.601 6.315 1.00 0.00 C ATOM 3 C ALA A 1 -5.360 1.323 6.030 1.00 0.00 C ATOM 4 O ALA A 1 -4.785 0.730 6.944 1.00 0.00 O ATOM 5 CB ALA A 1 -5.323 3.829 5.987 1.00 0.00 C ATOM 6 H1 ALA A 1 -6.311 1.856 8.239 1.00 0.00 H ATOM 7 H2 ALA A 1 -6.281 3.368 8.364 1.00 0.00 H ATOM 8 H3 ALA A 1 -7.569 2.665 7.979 1.00 0.00 H ATOM 9 HA ALA A 1 -7.012 2.631 5.658 1.00 0.00 H ATOM 10 HB1 ALA A 1 -5.927 4.705 6.224 1.00 0.00 H ATOM 11 HB2 ALA A 1 -4.406 3.843 6.571 1.00 0.00 H ATOM 12 HB3 ALA A 1 -5.094 3.812 4.926 1.00 0.00 H ATOM 13 N TYR A 2 -5.342 0.903 4.761 1.00 0.00 N ATOM 14 CA TYR A 2 -4.696 -0.319 4.300 1.00 0.00 C ATOM 15 C TYR A 2 -3.362 0.017 3.650 1.00 0.00 C ATOM 16 O TYR A 2 -3.266 1.010 2.935 1.00 0.00 O ATOM 17 CB TYR A 2 -5.611 -1.050 3.313 1.00 0.00 C ATOM 18 CG TYR A 2 -6.678 -1.892 3.977 1.00 0.00 C ATOM 19 CD1 TYR A 2 -7.738 -1.272 4.662 1.00 0.00 C ATOM 20 CD2 TYR A 2 -6.592 -3.297 3.943 1.00 0.00 C ATOM 21 CE1 TYR A 2 -8.706 -2.051 5.316 1.00 0.00 C ATOM 22 CE2 TYR A 2 -7.574 -4.076 4.578 1.00 0.00 C ATOM 23 CZ TYR A 2 -8.639 -3.452 5.249 1.00 0.00 C ATOM 24 OH TYR A 2 -9.595 -4.212 5.854 1.00 0.00 O ATOM 25 H TYR A 2 -5.753 1.493 4.047 1.00 0.00 H ATOM 26 HA TYR A 2 -4.496 -0.975 5.142 1.00 0.00 H ATOM 27 HB2 TYR A 2 -6.081 -0.323 2.650 1.00 0.00 H ATOM 28 HB3 TYR A 2 -5.003 -1.703 2.690 1.00 0.00 H ATOM 29 HD1 TYR A 2 -7.821 -0.196 4.683 1.00 0.00 H ATOM 30 HD2 TYR A 2 -5.787 -3.786 3.414 1.00 0.00 H ATOM 31 HE1 TYR A 2 -9.519 -1.557 5.830 1.00 0.00 H ATOM 32 HE2 TYR A 2 -7.528 -5.153 4.519 1.00 0.00 H ATOM 33 HH TYR A 2 -10.305 -3.679 6.216 1.00 0.00 H ATOM 34 N VAL A 3 -2.334 -0.789 3.926 1.00 0.00 N ATOM 35 CA VAL A 3 -0.964 -0.510 3.510 1.00 0.00 C ATOM 36 C VAL A 3 -0.257 -1.773 3.002 1.00 0.00 C ATOM 37 O VAL A 3 -0.478 -2.872 3.515 1.00 0.00 O ATOM 38 CB VAL A 3 -0.201 0.152 4.672 1.00 0.00 C ATOM 39 CG1 VAL A 3 1.130 0.723 4.178 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.990 1.330 5.252 1.00 0.00 C ATOM 41 H VAL A 3 -2.495 -1.563 4.567 1.00 0.00 H ATOM 42 HA VAL A 3 -0.993 0.197 2.680 1.00 0.00 H ATOM 43 HB VAL A 3 -0.024 -0.579 5.463 1.00 0.00 H ATOM 44 HG11 VAL A 3 0.945 1.369 3.321 1.00 0.00 H ATOM 45 HG12 VAL A 3 1.598 1.305 4.966 1.00 0.00 H ATOM 46 HG13 VAL A 3 1.815 -0.068 3.893 1.00 0.00 H ATOM 47 HG21 VAL A 3 -1.240 2.010 4.438 1.00 0.00 H ATOM 48 HG22 VAL A 3 -1.903 0.990 5.739 1.00 0.00 H ATOM 49 HG23 VAL A 3 -0.390 1.861 5.991 1.00 0.00 H ATOM 50 N ILE A 4 0.590 -1.597 1.977 1.00 0.00 N ATOM 51 CA ILE A 4 1.498 -2.594 1.435 1.00 0.00 C ATOM 52 C ILE A 4 2.577 -2.944 2.462 1.00 0.00 C ATOM 53 O ILE A 4 2.690 -2.269 3.484 1.00 0.00 O ATOM 54 CB ILE A 4 2.122 -2.034 0.140 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.043 -0.810 0.326 1.00 0.00 C ATOM 56 CG2 ILE A 4 1.034 -1.657 -0.875 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.465 -1.134 0.800 1.00 0.00 C ATOM 58 H ILE A 4 0.718 -0.674 1.598 1.00 0.00 H ATOM 59 HA ILE A 4 0.933 -3.497 1.201 1.00 0.00 H ATOM 60 HB ILE A 4 2.700 -2.832 -0.308 1.00 0.00 H ATOM 61 HG12 ILE A 4 3.157 -0.341 -0.649 1.00 0.00 H ATOM 62 HG13 ILE A 4 2.590 -0.079 0.994 1.00 0.00 H ATOM 63 HG21 ILE A 4 0.310 -2.464 -0.965 1.00 0.00 H ATOM 64 HG22 ILE A 4 0.522 -0.746 -0.569 1.00 0.00 H ATOM 65 HG23 ILE A 4 1.487 -1.490 -1.853 1.00 0.00 H ATOM 66 HD11 ILE A 4 4.851 -2.003 0.267 1.00 0.00 H ATOM 67 HD12 ILE A 4 5.105 -0.276 0.597 1.00 0.00 H ATOM 68 HD13 ILE A 4 4.502 -1.322 1.870 1.00 0.00 H ATOM 69 N THR A 5 3.407 -3.958 2.192 1.00 0.00 N ATOM 70 CA THR A 5 4.526 -4.268 3.076 1.00 0.00 C ATOM 71 C THR A 5 5.776 -4.744 2.335 1.00 0.00 C ATOM 72 O THR A 5 6.562 -3.929 1.862 1.00 0.00 O ATOM 73 CB THR A 5 4.101 -5.268 4.165 1.00 0.00 C ATOM 74 OG1 THR A 5 3.523 -6.423 3.583 1.00 0.00 O ATOM 75 CG2 THR A 5 3.123 -4.651 5.159 1.00 0.00 C ATOM 76 H THR A 5 3.313 -4.480 1.333 1.00 0.00 H ATOM 77 HA THR A 5 4.852 -3.358 3.583 1.00 0.00 H ATOM 78 HB THR A 5 4.990 -5.560 4.729 1.00 0.00 H ATOM 79 HG1 THR A 5 2.609 -6.229 3.345 1.00 0.00 H ATOM 80 HG21 THR A 5 3.536 -3.707 5.524 1.00 0.00 H ATOM 81 HG22 THR A 5 2.154 -4.470 4.697 1.00 0.00 H ATOM 82 HG23 THR A 5 2.987 -5.344 5.987 1.00 0.00 H ATOM 83 N GLU A 6 5.954 -6.066 2.276 1.00 0.00 N ATOM 84 CA GLU A 6 7.187 -6.722 1.868 1.00 0.00 C ATOM 85 C GLU A 6 7.003 -7.761 0.751 1.00 0.00 C ATOM 86 O GLU A 6 7.619 -7.575 -0.301 1.00 0.00 O ATOM 87 CB GLU A 6 7.880 -7.150 3.161 1.00 0.00 C ATOM 88 CG GLU A 6 9.207 -7.860 2.968 1.00 0.00 C ATOM 89 CD GLU A 6 10.127 -7.582 4.153 1.00 0.00 C ATOM 90 OE1 GLU A 6 10.637 -6.442 4.200 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.232 -8.456 5.040 1.00 0.00 O ATOM 92 H GLU A 6 5.211 -6.634 2.670 1.00 0.00 H ATOM 93 HA GLU A 6 7.887 -6.010 1.435 1.00 0.00 H ATOM 94 HB2 GLU A 6 8.108 -6.228 3.688 1.00 0.00 H ATOM 95 HB3 GLU A 6 7.231 -7.727 3.806 1.00 0.00 H ATOM 96 HG2 GLU A 6 9.017 -8.914 2.820 1.00 0.00 H ATOM 97 HG3 GLU A 6 9.671 -7.476 2.073 1.00 0.00 H ATOM 98 N PRO A 7 6.099 -8.759 0.837 1.00 0.00 N ATOM 99 CA PRO A 7 5.790 -9.647 -0.288 1.00 0.00 C ATOM 100 C PRO A 7 5.014 -8.960 -1.432 1.00 0.00 C ATOM 101 O PRO A 7 4.227 -9.593 -2.131 1.00 0.00 O ATOM 102 CB PRO A 7 5.022 -10.845 0.296 1.00 0.00 C ATOM 103 CG PRO A 7 4.851 -10.567 1.789 1.00 0.00 C ATOM 104 CD PRO A 7 5.373 -9.152 2.026 1.00 0.00 C ATOM 105 HA PRO A 7 6.730 -10.001 -0.715 1.00 0.00 H ATOM 106 HB2 PRO A 7 4.037 -10.970 -0.155 1.00 0.00 H ATOM 107 HB3 PRO A 7 5.597 -11.760 0.150 1.00 0.00 H ATOM 108 HG2 PRO A 7 3.803 -10.643 2.086 1.00 0.00 H ATOM 109 HG3 PRO A 7 5.444 -11.286 2.355 1.00 0.00 H ATOM 110 HD2 PRO A 7 4.538 -8.478 2.207 1.00 0.00 H ATOM 111 HD3 PRO A 7 6.040 -9.177 2.878 1.00 0.00 H ATOM 112 N CYS A 8 5.258 -7.665 -1.624 1.00 0.00 N ATOM 113 CA CYS A 8 4.768 -6.791 -2.666 1.00 0.00 C ATOM 114 C CYS A 8 5.928 -6.289 -3.547 1.00 0.00 C ATOM 115 O CYS A 8 5.723 -6.026 -4.733 1.00 0.00 O ATOM 116 CB CYS A 8 4.065 -5.647 -1.982 1.00 0.00 C ATOM 117 SG CYS A 8 3.888 -4.144 -2.959 1.00 0.00 S ATOM 118 H CYS A 8 5.900 -7.232 -0.991 1.00 0.00 H ATOM 119 HA CYS A 8 4.071 -7.344 -3.289 1.00 0.00 H ATOM 120 HB2 CYS A 8 3.089 -5.972 -1.619 1.00 0.00 H ATOM 121 HB3 CYS A 8 4.665 -5.355 -1.117 1.00 0.00 H ATOM 122 N ILE A 9 7.135 -6.142 -2.980 1.00 0.00 N ATOM 123 CA ILE A 9 8.314 -5.684 -3.700 1.00 0.00 C ATOM 124 C ILE A 9 8.586 -6.630 -4.873 1.00 0.00 C ATOM 125 O ILE A 9 8.505 -7.848 -4.711 1.00 0.00 O ATOM 126 CB ILE A 9 9.482 -5.544 -2.697 1.00 0.00 C ATOM 127 CG1 ILE A 9 9.355 -4.214 -1.928 1.00 0.00 C ATOM 128 CG2 ILE A 9 10.860 -5.606 -3.372 1.00 0.00 C ATOM 129 CD1 ILE A 9 8.695 -4.382 -0.562 1.00 0.00 C ATOM 130 H ILE A 9 7.300 -6.456 -2.034 1.00 0.00 H ATOM 131 HA ILE A 9 8.093 -4.712 -4.136 1.00 0.00 H ATOM 132 HB ILE A 9 9.444 -6.361 -1.971 1.00 0.00 H ATOM 133 HG12 ILE A 9 10.336 -3.782 -1.752 1.00 0.00 H ATOM 134 HG13 ILE A 9 8.782 -3.497 -2.506 1.00 0.00 H ATOM 135 HG21 ILE A 9 10.955 -4.817 -4.116 1.00 0.00 H ATOM 136 HG22 ILE A 9 11.641 -5.479 -2.621 1.00 0.00 H ATOM 137 HG23 ILE A 9 11.011 -6.575 -3.847 1.00 0.00 H ATOM 138 HD11 ILE A 9 9.302 -5.060 0.038 1.00 0.00 H ATOM 139 HD12 ILE A 9 8.647 -3.417 -0.057 1.00 0.00 H ATOM 140 HD13 ILE A 9 7.684 -4.773 -0.672 1.00 0.00 H ATOM 141 N GLY A 10 8.866 -6.080 -6.059 1.00 0.00 N ATOM 142 CA GLY A 10 8.927 -6.875 -7.275 1.00 0.00 C ATOM 143 C GLY A 10 8.821 -6.019 -8.534 1.00 0.00 C ATOM 144 O GLY A 10 7.878 -6.168 -9.307 1.00 0.00 O ATOM 145 H GLY A 10 9.046 -5.071 -6.114 1.00 0.00 H ATOM 146 HA2 GLY A 10 9.871 -7.420 -7.295 1.00 0.00 H ATOM 147 HA3 GLY A 10 8.109 -7.598 -7.280 1.00 0.00 H ATOM 148 N THR A 11 9.824 -5.166 -8.744 1.00 0.00 N ATOM 149 CA THR A 11 10.122 -4.370 -9.924 1.00 0.00 C ATOM 150 C THR A 11 8.996 -4.222 -10.955 1.00 0.00 C ATOM 151 O THR A 11 8.959 -4.901 -11.979 1.00 0.00 O ATOM 152 CB THR A 11 11.454 -4.830 -10.513 1.00 0.00 C ATOM 153 OG1 THR A 11 12.384 -5.070 -9.471 1.00 0.00 O ATOM 154 CG2 THR A 11 12.045 -3.779 -11.458 1.00 0.00 C ATOM 155 H THR A 11 10.509 -5.036 -8.001 1.00 0.00 H ATOM 156 HA THR A 11 10.327 -3.372 -9.559 1.00 0.00 H ATOM 157 HB THR A 11 11.280 -5.758 -11.046 1.00 0.00 H ATOM 158 HG1 THR A 11 12.206 -4.455 -8.735 1.00 0.00 H ATOM 159 HG21 THR A 11 12.183 -2.836 -10.927 1.00 0.00 H ATOM 160 HG22 THR A 11 13.012 -4.124 -11.822 1.00 0.00 H ATOM 161 HG23 THR A 11 11.383 -3.620 -12.309 1.00 0.00 H ATOM 162 N LYS A 12 8.139 -3.238 -10.688 1.00 0.00 N ATOM 163 CA LYS A 12 7.098 -2.696 -11.536 1.00 0.00 C ATOM 164 C LYS A 12 5.877 -3.608 -11.617 1.00 0.00 C ATOM 165 O LYS A 12 5.445 -4.011 -12.697 1.00 0.00 O ATOM 166 CB LYS A 12 7.658 -2.225 -12.892 1.00 0.00 C ATOM 167 CG LYS A 12 6.778 -1.150 -13.560 1.00 0.00 C ATOM 168 CD LYS A 12 6.807 0.225 -12.864 1.00 0.00 C ATOM 169 CE LYS A 12 8.122 0.989 -13.093 1.00 0.00 C ATOM 170 NZ LYS A 12 8.298 2.050 -12.085 1.00 0.00 N ATOM 171 H LYS A 12 8.237 -2.812 -9.777 1.00 0.00 H ATOM 172 HA LYS A 12 6.761 -1.821 -10.988 1.00 0.00 H ATOM 173 HB2 LYS A 12 8.663 -1.832 -12.748 1.00 0.00 H ATOM 174 HB3 LYS A 12 7.733 -3.085 -13.559 1.00 0.00 H ATOM 175 HG2 LYS A 12 7.103 -1.026 -14.594 1.00 0.00 H ATOM 176 HG3 LYS A 12 5.748 -1.512 -13.579 1.00 0.00 H ATOM 177 HD2 LYS A 12 5.986 0.833 -13.254 1.00 0.00 H ATOM 178 HD3 LYS A 12 6.625 0.117 -11.796 1.00 0.00 H ATOM 179 HE2 LYS A 12 8.981 0.325 -13.014 1.00 0.00 H ATOM 180 HE3 LYS A 12 8.114 1.433 -14.090 1.00 0.00 H ATOM 181 HZ1 LYS A 12 7.500 2.678 -12.022 1.00 0.00 H ATOM 182 HZ2 LYS A 12 8.411 1.644 -11.164 1.00 0.00 H ATOM 183 HZ3 LYS A 12 9.134 2.620 -12.217 1.00 0.00 H ATOM 184 N CYS A 13 5.291 -3.884 -10.450 1.00 0.00 N ATOM 185 CA CYS A 13 3.989 -4.525 -10.354 1.00 0.00 C ATOM 186 C CYS A 13 2.949 -3.586 -10.985 1.00 0.00 C ATOM 187 O CYS A 13 3.160 -2.375 -11.030 1.00 0.00 O ATOM 188 CB CYS A 13 3.672 -4.772 -8.906 1.00 0.00 C ATOM 189 SG CYS A 13 2.100 -5.620 -8.629 1.00 0.00 S ATOM 190 H CYS A 13 5.711 -3.535 -9.602 1.00 0.00 H ATOM 191 HA CYS A 13 4.008 -5.478 -10.870 1.00 0.00 H ATOM 192 HB2 CYS A 13 4.471 -5.351 -8.439 1.00 0.00 H ATOM 193 HB3 CYS A 13 3.636 -3.793 -8.447 1.00 0.00 H ATOM 194 N ALA A 14 1.825 -4.119 -11.468 1.00 0.00 N ATOM 195 CA ALA A 14 0.715 -3.326 -11.978 1.00 0.00 C ATOM 196 C ALA A 14 -0.580 -4.084 -11.702 1.00 0.00 C ATOM 197 O ALA A 14 -0.947 -4.978 -12.462 1.00 0.00 O ATOM 198 CB ALA A 14 0.898 -3.050 -13.474 1.00 0.00 C ATOM 199 H ALA A 14 1.691 -5.115 -11.370 1.00 0.00 H ATOM 200 HA ALA A 14 0.672 -2.363 -11.464 1.00 0.00 H ATOM 201 HB1 ALA A 14 0.970 -3.987 -14.027 1.00 0.00 H ATOM 202 HB2 ALA A 14 0.043 -2.482 -13.845 1.00 0.00 H ATOM 203 HB3 ALA A 14 1.805 -2.467 -13.636 1.00 0.00 H ATOM 204 N SER A 15 -1.258 -3.760 -10.598 1.00 0.00 N ATOM 205 CA SER A 15 -2.563 -4.315 -10.250 1.00 0.00 C ATOM 206 C SER A 15 -3.288 -3.340 -9.320 1.00 0.00 C ATOM 207 O SER A 15 -4.372 -2.865 -9.652 1.00 0.00 O ATOM 208 CB SER A 15 -2.428 -5.709 -9.618 1.00 0.00 C ATOM 209 OG SER A 15 -1.896 -6.663 -10.517 1.00 0.00 O ATOM 210 H SER A 15 -0.898 -3.009 -10.027 1.00 0.00 H ATOM 211 HA SER A 15 -3.164 -4.407 -11.157 1.00 0.00 H ATOM 212 HB2 SER A 15 -1.781 -5.655 -8.750 1.00 0.00 H ATOM 213 HB3 SER A 15 -3.408 -6.060 -9.293 1.00 0.00 H ATOM 214 HG SER A 15 -1.598 -6.214 -11.319 1.00 0.00 H ATOM 215 N CYS A 16 -2.682 -2.999 -8.175 1.00 0.00 N ATOM 216 CA CYS A 16 -3.200 -1.990 -7.252 1.00 0.00 C ATOM 217 C CYS A 16 -2.995 -0.579 -7.838 1.00 0.00 C ATOM 218 O CYS A 16 -2.299 0.261 -7.272 1.00 0.00 O ATOM 219 CB CYS A 16 -2.581 -2.164 -5.877 1.00 0.00 C ATOM 220 SG CYS A 16 -0.784 -1.992 -5.797 1.00 0.00 S ATOM 221 H CYS A 16 -1.788 -3.404 -7.949 1.00 0.00 H ATOM 222 HA CYS A 16 -4.275 -2.142 -7.133 1.00 0.00 H ATOM 223 HB2 CYS A 16 -2.980 -1.365 -5.235 1.00 0.00 H ATOM 224 HB3 CYS A 16 -2.869 -3.127 -5.454 1.00 0.00 H ATOM 225 N VAL A 17 -3.603 -0.317 -8.999 1.00 0.00 N ATOM 226 CA VAL A 17 -3.498 0.947 -9.714 1.00 0.00 C ATOM 227 C VAL A 17 -4.909 1.469 -10.002 1.00 0.00 C ATOM 228 O VAL A 17 -5.500 2.117 -9.138 1.00 0.00 O ATOM 229 CB VAL A 17 -2.588 0.803 -10.942 1.00 0.00 C ATOM 230 CG1 VAL A 17 -2.374 2.148 -11.650 1.00 0.00 C ATOM 231 CG2 VAL A 17 -1.230 0.200 -10.569 1.00 0.00 C ATOM 232 H VAL A 17 -4.158 -1.053 -9.423 1.00 0.00 H ATOM 233 HA VAL A 17 -3.013 1.688 -9.093 1.00 0.00 H ATOM 234 HB VAL A 17 -3.045 0.106 -11.623 1.00 0.00 H ATOM 235 HG11 VAL A 17 -3.325 2.574 -11.969 1.00 0.00 H ATOM 236 HG12 VAL A 17 -1.876 2.850 -10.980 1.00 0.00 H ATOM 237 HG13 VAL A 17 -1.754 2.001 -12.535 1.00 0.00 H ATOM 238 HG21 VAL A 17 -0.797 0.765 -9.748 1.00 0.00 H ATOM 239 HG22 VAL A 17 -1.349 -0.838 -10.260 1.00 0.00 H ATOM 240 HG23 VAL A 17 -0.562 0.227 -11.430 1.00 0.00 H ATOM 241 N GLU A 18 -5.501 1.155 -11.161 1.00 0.00 N ATOM 242 CA GLU A 18 -6.743 1.761 -11.642 1.00 0.00 C ATOM 243 C GLU A 18 -8.013 1.253 -10.939 1.00 0.00 C ATOM 244 O GLU A 18 -9.084 1.192 -11.541 1.00 0.00 O ATOM 245 CB GLU A 18 -6.817 1.621 -13.170 1.00 0.00 C ATOM 246 CG GLU A 18 -6.931 0.165 -13.648 1.00 0.00 C ATOM 247 CD GLU A 18 -5.600 -0.463 -14.036 1.00 0.00 C ATOM 248 OE1 GLU A 18 -4.708 -0.457 -13.165 1.00 0.00 O ATOM 249 OE2 GLU A 18 -5.501 -0.937 -15.187 1.00 0.00 O ATOM 250 H GLU A 18 -5.027 0.533 -11.820 1.00 0.00 H ATOM 251 HA GLU A 18 -6.693 2.828 -11.446 1.00 0.00 H ATOM 252 HB2 GLU A 18 -7.698 2.165 -13.513 1.00 0.00 H ATOM 253 HB3 GLU A 18 -5.937 2.084 -13.617 1.00 0.00 H ATOM 254 HG2 GLU A 18 -7.387 -0.441 -12.870 1.00 0.00 H ATOM 255 HG3 GLU A 18 -7.576 0.146 -14.525 1.00 0.00 H ATOM 256 N VAL A 19 -7.898 0.903 -9.659 1.00 0.00 N ATOM 257 CA VAL A 19 -8.967 0.382 -8.825 1.00 0.00 C ATOM 258 C VAL A 19 -9.259 1.326 -7.656 1.00 0.00 C ATOM 259 O VAL A 19 -10.403 1.399 -7.210 1.00 0.00 O ATOM 260 CB VAL A 19 -8.608 -1.045 -8.367 1.00 0.00 C ATOM 261 CG1 VAL A 19 -7.384 -1.101 -7.440 1.00 0.00 C ATOM 262 CG2 VAL A 19 -9.813 -1.708 -7.686 1.00 0.00 C ATOM 263 H VAL A 19 -6.993 1.049 -9.239 1.00 0.00 H ATOM 264 HA VAL A 19 -9.884 0.309 -9.411 1.00 0.00 H ATOM 265 HB VAL A 19 -8.372 -1.626 -9.261 1.00 0.00 H ATOM 266 HG11 VAL A 19 -6.604 -0.417 -7.773 1.00 0.00 H ATOM 267 HG12 VAL A 19 -7.667 -0.849 -6.418 1.00 0.00 H ATOM 268 HG13 VAL A 19 -6.975 -2.112 -7.451 1.00 0.00 H ATOM 269 HG21 VAL A 19 -10.150 -1.114 -6.838 1.00 0.00 H ATOM 270 HG22 VAL A 19 -10.631 -1.809 -8.399 1.00 0.00 H ATOM 271 HG23 VAL A 19 -9.542 -2.693 -7.316 1.00 0.00 H ATOM 272 N CYS A 20 -8.249 2.027 -7.121 1.00 0.00 N ATOM 273 CA CYS A 20 -8.444 2.767 -5.884 1.00 0.00 C ATOM 274 C CYS A 20 -9.435 3.927 -6.086 1.00 0.00 C ATOM 275 O CYS A 20 -9.203 4.794 -6.929 1.00 0.00 O ATOM 276 CB CYS A 20 -7.142 3.265 -5.328 1.00 0.00 C ATOM 277 SG CYS A 20 -7.234 4.219 -3.792 1.00 0.00 S ATOM 278 H CYS A 20 -7.330 2.027 -7.542 1.00 0.00 H ATOM 279 HA CYS A 20 -8.800 2.030 -5.181 1.00 0.00 H ATOM 280 HB2 CYS A 20 -6.418 2.457 -5.229 1.00 0.00 H ATOM 281 HB3 CYS A 20 -6.794 3.968 -6.070 1.00 0.00 H ATOM 282 N PRO A 21 -10.523 3.968 -5.299 1.00 0.00 N ATOM 283 CA PRO A 21 -11.529 5.018 -5.310 1.00 0.00 C ATOM 284 C PRO A 21 -10.959 6.439 -5.346 1.00 0.00 C ATOM 285 O PRO A 21 -11.571 7.316 -5.951 1.00 0.00 O ATOM 286 CB PRO A 21 -12.355 4.798 -4.037 1.00 0.00 C ATOM 287 CG PRO A 21 -12.249 3.296 -3.797 1.00 0.00 C ATOM 288 CD PRO A 21 -10.839 2.979 -4.290 1.00 0.00 C ATOM 289 HA PRO A 21 -12.168 4.864 -6.181 1.00 0.00 H ATOM 290 HB2 PRO A 21 -11.889 5.307 -3.195 1.00 0.00 H ATOM 291 HB3 PRO A 21 -13.387 5.131 -4.151 1.00 0.00 H ATOM 292 HG2 PRO A 21 -12.394 3.025 -2.750 1.00 0.00 H ATOM 293 HG3 PRO A 21 -12.976 2.778 -4.425 1.00 0.00 H ATOM 294 HD2 PRO A 21 -10.092 3.099 -3.508 1.00 0.00 H ATOM 295 HD3 PRO A 21 -10.826 1.964 -4.686 1.00 0.00 H ATOM 296 N VAL A 22 -9.834 6.680 -4.658 1.00 0.00 N ATOM 297 CA VAL A 22 -9.285 8.019 -4.458 1.00 0.00 C ATOM 298 C VAL A 22 -7.823 8.112 -4.912 1.00 0.00 C ATOM 299 O VAL A 22 -7.092 8.960 -4.406 1.00 0.00 O ATOM 300 CB VAL A 22 -9.476 8.486 -2.992 1.00 0.00 C ATOM 301 CG1 VAL A 22 -10.147 9.866 -2.964 1.00 0.00 C ATOM 302 CG2 VAL A 22 -10.304 7.528 -2.131 1.00 0.00 C ATOM 303 H VAL A 22 -9.352 5.908 -4.217 1.00 0.00 H ATOM 304 HA VAL A 22 -9.814 8.720 -5.104 1.00 0.00 H ATOM 305 HB VAL A 22 -8.512 8.573 -2.490 1.00 0.00 H ATOM 306 HG11 VAL A 22 -9.547 10.580 -3.529 1.00 0.00 H ATOM 307 HG12 VAL A 22 -11.144 9.805 -3.404 1.00 0.00 H ATOM 308 HG13 VAL A 22 -10.233 10.216 -1.935 1.00 0.00 H ATOM 309 HG21 VAL A 22 -11.307 7.412 -2.539 1.00 0.00 H ATOM 310 HG22 VAL A 22 -9.805 6.560 -2.058 1.00 0.00 H ATOM 311 HG23 VAL A 22 -10.385 7.947 -1.132 1.00 0.00 H ATOM 312 N ASP A 23 -7.420 7.272 -5.877 1.00 0.00 N ATOM 313 CA ASP A 23 -6.111 7.306 -6.535 1.00 0.00 C ATOM 314 C ASP A 23 -4.965 7.682 -5.583 1.00 0.00 C ATOM 315 O ASP A 23 -4.304 8.704 -5.751 1.00 0.00 O ATOM 316 CB ASP A 23 -6.175 8.238 -7.755 1.00 0.00 C ATOM 317 CG ASP A 23 -4.899 8.167 -8.586 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.534 7.030 -8.953 1.00 0.00 O ATOM 319 OD2 ASP A 23 -4.332 9.244 -8.874 1.00 0.00 O ATOM 320 H ASP A 23 -8.089 6.601 -6.238 1.00 0.00 H ATOM 321 HA ASP A 23 -5.913 6.296 -6.897 1.00 0.00 H ATOM 322 HB2 ASP A 23 -7.006 7.947 -8.395 1.00 0.00 H ATOM 323 HB3 ASP A 23 -6.324 9.266 -7.421 1.00 0.00 H ATOM 324 N CYS A 24 -4.740 6.856 -4.557 1.00 0.00 N ATOM 325 CA CYS A 24 -3.703 7.095 -3.553 1.00 0.00 C ATOM 326 C CYS A 24 -2.680 5.964 -3.553 1.00 0.00 C ATOM 327 O CYS A 24 -2.127 5.623 -2.507 1.00 0.00 O ATOM 328 CB CYS A 24 -4.330 7.325 -2.178 1.00 0.00 C ATOM 329 SG CYS A 24 -4.984 5.798 -1.476 1.00 0.00 S ATOM 330 H CYS A 24 -5.315 6.030 -4.456 1.00 0.00 H ATOM 331 HA CYS A 24 -3.164 8.014 -3.774 1.00 0.00 H ATOM 332 HB2 CYS A 24 -3.560 7.702 -1.508 1.00 0.00 H ATOM 333 HB3 CYS A 24 -5.130 8.057 -2.270 1.00 0.00 H ATOM 334 HG CYS A 24 -3.809 5.343 -1.031 1.00 0.00 H ATOM 335 N ILE A 25 -2.438 5.402 -4.743 1.00 0.00 N ATOM 336 CA ILE A 25 -1.469 4.358 -5.037 1.00 0.00 C ATOM 337 C ILE A 25 -0.355 4.977 -5.896 1.00 0.00 C ATOM 338 O ILE A 25 -0.600 5.465 -6.994 1.00 0.00 O ATOM 339 CB ILE A 25 -2.161 3.128 -5.681 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.438 3.395 -6.502 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.559 2.139 -4.575 1.00 0.00 C ATOM 342 CD1 ILE A 25 -3.222 4.256 -7.750 1.00 0.00 C ATOM 343 H ILE A 25 -2.907 5.805 -5.541 1.00 0.00 H ATOM 344 HA ILE A 25 -1.009 4.026 -4.108 1.00 0.00 H ATOM 345 HB ILE A 25 -1.445 2.617 -6.323 1.00 0.00 H ATOM 346 HG12 ILE A 25 -3.820 2.425 -6.827 1.00 0.00 H ATOM 347 HG13 ILE A 25 -4.203 3.855 -5.877 1.00 0.00 H ATOM 348 HG21 ILE A 25 -3.238 2.632 -3.879 1.00 0.00 H ATOM 349 HG22 ILE A 25 -3.061 1.255 -4.977 1.00 0.00 H ATOM 350 HG23 ILE A 25 -1.664 1.805 -4.051 1.00 0.00 H ATOM 351 HD11 ILE A 25 -2.388 3.871 -8.335 1.00 0.00 H ATOM 352 HD12 ILE A 25 -4.124 4.237 -8.361 1.00 0.00 H ATOM 353 HD13 ILE A 25 -3.030 5.292 -7.480 1.00 0.00 H ATOM 354 N HIS A 26 0.873 5.011 -5.372 1.00 0.00 N ATOM 355 CA HIS A 26 2.005 5.739 -5.920 1.00 0.00 C ATOM 356 C HIS A 26 3.200 4.809 -6.056 1.00 0.00 C ATOM 357 O HIS A 26 3.375 3.951 -5.212 1.00 0.00 O ATOM 358 CB HIS A 26 2.354 6.807 -4.891 1.00 0.00 C ATOM 359 CG HIS A 26 1.204 7.748 -4.633 1.00 0.00 C ATOM 360 ND1 HIS A 26 0.638 8.595 -5.560 1.00 0.00 N ATOM 361 CD2 HIS A 26 0.400 7.752 -3.524 1.00 0.00 C ATOM 362 CE1 HIS A 26 -0.465 9.124 -5.003 1.00 0.00 C ATOM 363 NE2 HIS A 26 -0.646 8.646 -3.761 1.00 0.00 N ATOM 364 H HIS A 26 1.029 4.642 -4.444 1.00 0.00 H ATOM 365 HA HIS A 26 1.769 6.197 -6.882 1.00 0.00 H ATOM 366 HB2 HIS A 26 2.641 6.304 -3.958 1.00 0.00 H ATOM 367 HB3 HIS A 26 3.211 7.356 -5.264 1.00 0.00 H ATOM 368 HD1 HIS A 26 0.956 8.752 -6.505 1.00 0.00 H ATOM 369 HD2 HIS A 26 0.509 7.124 -2.654 1.00 0.00 H ATOM 370 HE1 HIS A 26 -1.125 9.822 -5.496 1.00 0.00 H ATOM 371 N GLU A 27 4.060 4.973 -7.053 1.00 0.00 N ATOM 372 CA GLU A 27 5.239 4.125 -7.181 1.00 0.00 C ATOM 373 C GLU A 27 6.419 4.618 -6.347 1.00 0.00 C ATOM 374 O GLU A 27 6.716 5.809 -6.304 1.00 0.00 O ATOM 375 CB GLU A 27 5.683 4.023 -8.643 1.00 0.00 C ATOM 376 CG GLU A 27 4.776 3.072 -9.421 1.00 0.00 C ATOM 377 CD GLU A 27 5.148 3.006 -10.895 1.00 0.00 C ATOM 378 OE1 GLU A 27 6.281 3.418 -11.223 1.00 0.00 O ATOM 379 OE2 GLU A 27 4.321 2.497 -11.679 1.00 0.00 O ATOM 380 H GLU A 27 3.904 5.713 -7.710 1.00 0.00 H ATOM 381 HA GLU A 27 4.990 3.115 -6.861 1.00 0.00 H ATOM 382 HB2 GLU A 27 5.700 5.009 -9.109 1.00 0.00 H ATOM 383 HB3 GLU A 27 6.687 3.601 -8.694 1.00 0.00 H ATOM 384 HG2 GLU A 27 4.862 2.068 -9.007 1.00 0.00 H ATOM 385 HG3 GLU A 27 3.754 3.408 -9.304 1.00 0.00 H ATOM 386 N GLY A 28 7.132 3.661 -5.751 1.00 0.00 N ATOM 387 CA GLY A 28 8.438 3.834 -5.135 1.00 0.00 C ATOM 388 C GLY A 28 9.435 3.172 -6.091 1.00 0.00 C ATOM 389 O GLY A 28 10.297 2.400 -5.679 1.00 0.00 O ATOM 390 H GLY A 28 6.780 2.712 -5.816 1.00 0.00 H ATOM 391 HA2 GLY A 28 8.693 4.887 -5.009 1.00 0.00 H ATOM 392 HA3 GLY A 28 8.467 3.339 -4.165 1.00 0.00 H ATOM 393 N GLU A 29 9.237 3.437 -7.387 1.00 0.00 N ATOM 394 CA GLU A 29 9.868 2.875 -8.572 1.00 0.00 C ATOM 395 C GLU A 29 9.531 1.384 -8.724 1.00 0.00 C ATOM 396 O GLU A 29 8.905 0.969 -9.700 1.00 0.00 O ATOM 397 CB GLU A 29 11.386 3.163 -8.580 1.00 0.00 C ATOM 398 CG GLU A 29 12.114 3.618 -9.872 1.00 0.00 C ATOM 399 CD GLU A 29 11.513 3.322 -11.250 1.00 0.00 C ATOM 400 OE1 GLU A 29 10.292 3.501 -11.436 1.00 0.00 O ATOM 401 OE2 GLU A 29 12.302 2.957 -12.143 1.00 0.00 O ATOM 402 H GLU A 29 8.489 4.073 -7.583 1.00 0.00 H ATOM 403 HA GLU A 29 9.369 3.423 -9.363 1.00 0.00 H ATOM 404 HB2 GLU A 29 11.572 3.964 -7.864 1.00 0.00 H ATOM 405 HB3 GLU A 29 11.904 2.284 -8.195 1.00 0.00 H ATOM 406 HG2 GLU A 29 12.278 4.694 -9.824 1.00 0.00 H ATOM 407 HG3 GLU A 29 13.096 3.142 -9.861 1.00 0.00 H ATOM 408 N ASP A 30 9.941 0.584 -7.741 1.00 0.00 N ATOM 409 CA ASP A 30 9.874 -0.875 -7.779 1.00 0.00 C ATOM 410 C ASP A 30 8.465 -1.396 -7.506 1.00 0.00 C ATOM 411 O ASP A 30 8.049 -2.404 -8.069 1.00 0.00 O ATOM 412 CB ASP A 30 10.840 -1.474 -6.742 1.00 0.00 C ATOM 413 CG ASP A 30 10.762 -3.002 -6.702 1.00 0.00 C ATOM 414 OD1 ASP A 30 9.852 -3.529 -6.024 1.00 0.00 O ATOM 415 OD2 ASP A 30 11.597 -3.643 -7.379 1.00 0.00 O ATOM 416 H ASP A 30 10.345 1.054 -6.938 1.00 0.00 H ATOM 417 HA ASP A 30 10.187 -1.212 -8.768 1.00 0.00 H ATOM 418 HB2 ASP A 30 11.862 -1.181 -6.983 1.00 0.00 H ATOM 419 HB3 ASP A 30 10.593 -1.098 -5.750 1.00 0.00 H ATOM 420 N GLN A 31 7.718 -0.709 -6.646 1.00 0.00 N ATOM 421 CA GLN A 31 6.478 -1.213 -6.100 1.00 0.00 C ATOM 422 C GLN A 31 5.558 -0.037 -5.836 1.00 0.00 C ATOM 423 O GLN A 31 6.034 1.087 -5.675 1.00 0.00 O ATOM 424 CB GLN A 31 6.815 -1.939 -4.790 1.00 0.00 C ATOM 425 CG GLN A 31 7.746 -1.090 -3.896 1.00 0.00 C ATOM 426 CD GLN A 31 7.402 -1.108 -2.417 1.00 0.00 C ATOM 427 OE1 GLN A 31 8.277 -1.174 -1.558 1.00 0.00 O ATOM 428 NE2 GLN A 31 6.131 -0.943 -2.100 1.00 0.00 N ATOM 429 H GLN A 31 7.991 0.213 -6.339 1.00 0.00 H ATOM 430 HA GLN A 31 5.987 -1.900 -6.791 1.00 0.00 H ATOM 431 HB2 GLN A 31 5.900 -2.224 -4.274 1.00 0.00 H ATOM 432 HB3 GLN A 31 7.337 -2.858 -5.050 1.00 0.00 H ATOM 433 HG2 GLN A 31 8.758 -1.463 -4.008 1.00 0.00 H ATOM 434 HG3 GLN A 31 7.742 -0.042 -4.185 1.00 0.00 H ATOM 435 HE21 GLN A 31 5.446 -0.771 -2.829 1.00 0.00 H ATOM 436 HE22 GLN A 31 5.853 -0.952 -1.136 1.00 0.00 H ATOM 437 N TYR A 32 4.257 -0.300 -5.763 1.00 0.00 N ATOM 438 CA TYR A 32 3.302 0.712 -5.361 1.00 0.00 C ATOM 439 C TYR A 32 3.342 0.908 -3.847 1.00 0.00 C ATOM 440 O TYR A 32 3.766 0.024 -3.105 1.00 0.00 O ATOM 441 CB TYR A 32 1.905 0.380 -5.885 1.00 0.00 C ATOM 442 CG TYR A 32 1.727 0.766 -7.340 1.00 0.00 C ATOM 443 CD1 TYR A 32 2.328 0.008 -8.363 1.00 0.00 C ATOM 444 CD2 TYR A 32 1.149 2.011 -7.647 1.00 0.00 C ATOM 445 CE1 TYR A 32 2.363 0.509 -9.676 1.00 0.00 C ATOM 446 CE2 TYR A 32 1.123 2.477 -8.970 1.00 0.00 C ATOM 447 CZ TYR A 32 1.738 1.729 -9.985 1.00 0.00 C ATOM 448 OH TYR A 32 1.772 2.222 -11.252 1.00 0.00 O ATOM 449 H TYR A 32 3.930 -1.246 -5.893 1.00 0.00 H ATOM 450 HA TYR A 32 3.596 1.646 -5.831 1.00 0.00 H ATOM 451 HB2 TYR A 32 1.709 -0.679 -5.750 1.00 0.00 H ATOM 452 HB3 TYR A 32 1.165 0.923 -5.295 1.00 0.00 H ATOM 453 HD1 TYR A 32 2.817 -0.928 -8.136 1.00 0.00 H ATOM 454 HD2 TYR A 32 0.771 2.636 -6.857 1.00 0.00 H ATOM 455 HE1 TYR A 32 2.895 -0.024 -10.448 1.00 0.00 H ATOM 456 HE2 TYR A 32 0.677 3.433 -9.199 1.00 0.00 H ATOM 457 HH TYR A 32 2.691 2.243 -11.575 1.00 0.00 H ATOM 458 N TYR A 33 2.915 2.096 -3.428 1.00 0.00 N ATOM 459 CA TYR A 33 2.902 2.656 -2.094 1.00 0.00 C ATOM 460 C TYR A 33 1.535 3.304 -1.936 1.00 0.00 C ATOM 461 O TYR A 33 1.193 4.196 -2.709 1.00 0.00 O ATOM 462 CB TYR A 33 4.006 3.720 -1.978 1.00 0.00 C ATOM 463 CG TYR A 33 5.296 3.173 -1.412 1.00 0.00 C ATOM 464 CD1 TYR A 33 5.446 3.063 -0.021 1.00 0.00 C ATOM 465 CD2 TYR A 33 6.277 2.640 -2.265 1.00 0.00 C ATOM 466 CE1 TYR A 33 6.499 2.309 0.519 1.00 0.00 C ATOM 467 CE2 TYR A 33 7.388 1.974 -1.719 1.00 0.00 C ATOM 468 CZ TYR A 33 7.443 1.722 -0.337 1.00 0.00 C ATOM 469 OH TYR A 33 8.422 0.934 0.187 1.00 0.00 O ATOM 470 H TYR A 33 2.651 2.752 -4.157 1.00 0.00 H ATOM 471 HA TYR A 33 3.037 1.885 -1.336 1.00 0.00 H ATOM 472 HB2 TYR A 33 4.212 4.169 -2.947 1.00 0.00 H ATOM 473 HB3 TYR A 33 3.649 4.537 -1.352 1.00 0.00 H ATOM 474 HD1 TYR A 33 4.736 3.548 0.625 1.00 0.00 H ATOM 475 HD2 TYR A 33 6.160 2.715 -3.335 1.00 0.00 H ATOM 476 HE1 TYR A 33 6.574 2.165 1.587 1.00 0.00 H ATOM 477 HE2 TYR A 33 8.161 1.599 -2.371 1.00 0.00 H ATOM 478 HH TYR A 33 8.665 0.219 -0.419 1.00 0.00 H ATOM 479 N ILE A 34 0.746 2.844 -0.969 1.00 0.00 N ATOM 480 CA ILE A 34 -0.563 3.387 -0.689 1.00 0.00 C ATOM 481 C ILE A 34 -0.385 4.524 0.314 1.00 0.00 C ATOM 482 O ILE A 34 0.288 4.306 1.318 1.00 0.00 O ATOM 483 CB ILE A 34 -1.476 2.278 -0.129 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.893 1.300 -1.246 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.712 2.905 0.530 1.00 0.00 C ATOM 486 CD1 ILE A 34 -2.481 -0.001 -0.699 1.00 0.00 C ATOM 487 H ILE A 34 1.119 2.216 -0.280 1.00 0.00 H ATOM 488 HA ILE A 34 -0.983 3.737 -1.616 1.00 0.00 H ATOM 489 HB ILE A 34 -0.929 1.726 0.637 1.00 0.00 H ATOM 490 HG12 ILE A 34 -2.640 1.763 -1.888 1.00 0.00 H ATOM 491 HG13 ILE A 34 -1.034 1.029 -1.863 1.00 0.00 H ATOM 492 HG21 ILE A 34 -3.154 3.640 -0.140 1.00 0.00 H ATOM 493 HG22 ILE A 34 -3.456 2.148 0.756 1.00 0.00 H ATOM 494 HG23 ILE A 34 -2.445 3.387 1.469 1.00 0.00 H ATOM 495 HD11 ILE A 34 -1.769 -0.465 -0.021 1.00 0.00 H ATOM 496 HD12 ILE A 34 -3.418 0.173 -0.175 1.00 0.00 H ATOM 497 HD13 ILE A 34 -2.677 -0.671 -1.535 1.00 0.00 H ATOM 498 N ASP A 35 -0.964 5.713 0.096 1.00 0.00 N ATOM 499 CA ASP A 35 -0.985 6.689 1.184 1.00 0.00 C ATOM 500 C ASP A 35 -2.063 6.237 2.173 1.00 0.00 C ATOM 501 O ASP A 35 -3.245 6.317 1.828 1.00 0.00 O ATOM 502 CB ASP A 35 -1.299 8.131 0.754 1.00 0.00 C ATOM 503 CG ASP A 35 -0.963 9.077 1.902 1.00 0.00 C ATOM 504 OD1 ASP A 35 -1.095 8.668 3.073 1.00 0.00 O ATOM 505 OD2 ASP A 35 -0.477 10.203 1.675 1.00 0.00 O ATOM 506 H ASP A 35 -1.479 5.879 -0.764 1.00 0.00 H ATOM 507 HA ASP A 35 0.005 6.714 1.635 1.00 0.00 H ATOM 508 HB2 ASP A 35 -0.759 8.417 -0.145 1.00 0.00 H ATOM 509 HB3 ASP A 35 -2.363 8.231 0.567 1.00 0.00 H ATOM 510 N PRO A 36 -1.722 5.786 3.389 1.00 0.00 N ATOM 511 CA PRO A 36 -2.735 5.405 4.348 1.00 0.00 C ATOM 512 C PRO A 36 -3.616 6.602 4.702 1.00 0.00 C ATOM 513 O PRO A 36 -4.787 6.447 5.020 1.00 0.00 O ATOM 514 CB PRO A 36 -1.978 4.896 5.574 1.00 0.00 C ATOM 515 CG PRO A 36 -0.616 5.582 5.487 1.00 0.00 C ATOM 516 CD PRO A 36 -0.400 5.715 3.984 1.00 0.00 C ATOM 517 HA PRO A 36 -3.341 4.607 3.923 1.00 0.00 H ATOM 518 HB2 PRO A 36 -2.505 5.131 6.493 1.00 0.00 H ATOM 519 HB3 PRO A 36 -1.855 3.821 5.498 1.00 0.00 H ATOM 520 HG2 PRO A 36 -0.677 6.579 5.921 1.00 0.00 H ATOM 521 HG3 PRO A 36 0.174 5.002 5.966 1.00 0.00 H ATOM 522 HD2 PRO A 36 0.226 6.584 3.781 1.00 0.00 H ATOM 523 HD3 PRO A 36 0.065 4.804 3.635 1.00 0.00 H ATOM 524 N ASP A 37 -3.056 7.807 4.671 1.00 0.00 N ATOM 525 CA ASP A 37 -3.743 8.987 5.148 1.00 0.00 C ATOM 526 C ASP A 37 -4.732 9.490 4.092 1.00 0.00 C ATOM 527 O ASP A 37 -5.656 10.224 4.439 1.00 0.00 O ATOM 528 CB ASP A 37 -2.703 10.020 5.602 1.00 0.00 C ATOM 529 CG ASP A 37 -1.722 9.381 6.580 1.00 0.00 C ATOM 530 OD1 ASP A 37 -2.183 8.866 7.619 1.00 0.00 O ATOM 531 OD2 ASP A 37 -0.510 9.324 6.263 1.00 0.00 O ATOM 532 H ASP A 37 -2.132 7.944 4.257 1.00 0.00 H ATOM 533 HA ASP A 37 -4.323 8.724 6.034 1.00 0.00 H ATOM 534 HB2 ASP A 37 -2.183 10.404 4.729 1.00 0.00 H ATOM 535 HB3 ASP A 37 -3.215 10.844 6.098 1.00 0.00 H ATOM 536 N VAL A 38 -4.572 9.084 2.821 1.00 0.00 N ATOM 537 CA VAL A 38 -5.560 9.354 1.777 1.00 0.00 C ATOM 538 C VAL A 38 -6.508 8.156 1.580 1.00 0.00 C ATOM 539 O VAL A 38 -7.681 8.363 1.269 1.00 0.00 O ATOM 540 CB VAL A 38 -4.870 9.816 0.479 1.00 0.00 C ATOM 541 CG1 VAL A 38 -5.898 10.224 -0.587 1.00 0.00 C ATOM 542 CG2 VAL A 38 -3.960 11.024 0.745 1.00 0.00 C ATOM 543 H VAL A 38 -3.769 8.513 2.578 1.00 0.00 H ATOM 544 HA VAL A 38 -6.185 10.189 2.091 1.00 0.00 H ATOM 545 HB VAL A 38 -4.260 9.010 0.078 1.00 0.00 H ATOM 546 HG11 VAL A 38 -6.538 11.019 -0.205 1.00 0.00 H ATOM 547 HG12 VAL A 38 -5.382 10.582 -1.479 1.00 0.00 H ATOM 548 HG13 VAL A 38 -6.518 9.374 -0.869 1.00 0.00 H ATOM 549 HG21 VAL A 38 -4.545 11.852 1.146 1.00 0.00 H ATOM 550 HG22 VAL A 38 -3.175 10.771 1.456 1.00 0.00 H ATOM 551 HG23 VAL A 38 -3.486 11.340 -0.185 1.00 0.00 H ATOM 552 N CYS A 39 -6.038 6.913 1.752 1.00 0.00 N ATOM 553 CA CYS A 39 -6.885 5.724 1.633 1.00 0.00 C ATOM 554 C CYS A 39 -8.096 5.805 2.576 1.00 0.00 C ATOM 555 O CYS A 39 -7.953 6.015 3.778 1.00 0.00 O ATOM 556 CB CYS A 39 -6.084 4.481 1.928 1.00 0.00 C ATOM 557 SG CYS A 39 -7.064 2.971 2.121 1.00 0.00 S ATOM 558 H CYS A 39 -5.059 6.771 1.977 1.00 0.00 H ATOM 559 HA CYS A 39 -7.239 5.669 0.603 1.00 0.00 H ATOM 560 HB2 CYS A 39 -5.315 4.330 1.171 1.00 0.00 H ATOM 561 HB3 CYS A 39 -5.584 4.649 2.880 1.00 0.00 H ATOM 562 N ILE A 40 -9.300 5.600 2.035 1.00 0.00 N ATOM 563 CA ILE A 40 -10.553 5.712 2.777 1.00 0.00 C ATOM 564 C ILE A 40 -10.976 4.368 3.392 1.00 0.00 C ATOM 565 O ILE A 40 -12.165 4.055 3.409 1.00 0.00 O ATOM 566 CB ILE A 40 -11.639 6.313 1.861 1.00 0.00 C ATOM 567 CG1 ILE A 40 -11.814 5.488 0.570 1.00 0.00 C ATOM 568 CG2 ILE A 40 -11.293 7.777 1.553 1.00 0.00 C ATOM 569 CD1 ILE A 40 -13.159 5.749 -0.113 1.00 0.00 C ATOM 570 H ILE A 40 -9.349 5.395 1.049 1.00 0.00 H ATOM 571 HA ILE A 40 -10.420 6.402 3.612 1.00 0.00 H ATOM 572 HB ILE A 40 -12.585 6.319 2.405 1.00 0.00 H ATOM 573 HG12 ILE A 40 -11.011 5.711 -0.131 1.00 0.00 H ATOM 574 HG13 ILE A 40 -11.773 4.424 0.803 1.00 0.00 H ATOM 575 HG21 ILE A 40 -10.321 7.845 1.067 1.00 0.00 H ATOM 576 HG22 ILE A 40 -12.049 8.224 0.909 1.00 0.00 H ATOM 577 HG23 ILE A 40 -11.250 8.347 2.481 1.00 0.00 H ATOM 578 HD11 ILE A 40 -13.972 5.535 0.582 1.00 0.00 H ATOM 579 HD12 ILE A 40 -13.229 6.783 -0.447 1.00 0.00 H ATOM 580 HD13 ILE A 40 -13.255 5.091 -0.977 1.00 0.00 H ATOM 581 N ASP A 41 -10.016 3.582 3.898 1.00 0.00 N ATOM 582 CA ASP A 41 -10.246 2.290 4.554 1.00 0.00 C ATOM 583 C ASP A 41 -11.243 1.415 3.778 1.00 0.00 C ATOM 584 O ASP A 41 -12.257 0.970 4.314 1.00 0.00 O ATOM 585 CB ASP A 41 -10.648 2.484 6.033 1.00 0.00 C ATOM 586 CG ASP A 41 -9.467 2.465 6.985 1.00 0.00 C ATOM 587 OD1 ASP A 41 -8.698 1.473 6.983 1.00 0.00 O ATOM 588 OD2 ASP A 41 -9.286 3.449 7.724 1.00 0.00 O ATOM 589 H ASP A 41 -9.065 3.927 3.853 1.00 0.00 H ATOM 590 HA ASP A 41 -9.302 1.746 4.526 1.00 0.00 H ATOM 591 HB2 ASP A 41 -11.197 3.419 6.152 1.00 0.00 H ATOM 592 HB3 ASP A 41 -11.289 1.673 6.372 1.00 0.00 H ATOM 593 N CYS A 42 -10.926 1.146 2.507 1.00 0.00 N ATOM 594 CA CYS A 42 -11.656 0.183 1.685 1.00 0.00 C ATOM 595 C CYS A 42 -10.889 -1.149 1.650 1.00 0.00 C ATOM 596 O CYS A 42 -9.990 -1.347 2.465 1.00 0.00 O ATOM 597 CB CYS A 42 -12.016 0.795 0.346 1.00 0.00 C ATOM 598 SG CYS A 42 -11.031 0.430 -1.123 1.00 0.00 S ATOM 599 H CYS A 42 -10.045 1.494 2.171 1.00 0.00 H ATOM 600 HA CYS A 42 -12.609 -0.037 2.169 1.00 0.00 H ATOM 601 HB2 CYS A 42 -13.015 0.429 0.105 1.00 0.00 H ATOM 602 HB3 CYS A 42 -12.098 1.878 0.449 1.00 0.00 H ATOM 603 N GLY A 43 -11.245 -2.081 0.759 1.00 0.00 N ATOM 604 CA GLY A 43 -10.594 -3.390 0.678 1.00 0.00 C ATOM 605 C GLY A 43 -10.434 -3.900 -0.756 1.00 0.00 C ATOM 606 O GLY A 43 -10.318 -5.103 -0.978 1.00 0.00 O ATOM 607 H GLY A 43 -11.982 -1.850 0.108 1.00 0.00 H ATOM 608 HA2 GLY A 43 -9.595 -3.353 1.114 1.00 0.00 H ATOM 609 HA3 GLY A 43 -11.190 -4.107 1.244 1.00 0.00 H ATOM 610 N ALA A 44 -10.427 -2.996 -1.738 1.00 0.00 N ATOM 611 CA ALA A 44 -10.366 -3.363 -3.148 1.00 0.00 C ATOM 612 C ALA A 44 -8.943 -3.756 -3.552 1.00 0.00 C ATOM 613 O ALA A 44 -8.713 -4.835 -4.093 1.00 0.00 O ATOM 614 CB ALA A 44 -10.889 -2.202 -3.999 1.00 0.00 C ATOM 615 H ALA A 44 -10.512 -2.023 -1.489 1.00 0.00 H ATOM 616 HA ALA A 44 -11.020 -4.219 -3.323 1.00 0.00 H ATOM 617 HB1 ALA A 44 -11.910 -1.959 -3.703 1.00 0.00 H ATOM 618 HB2 ALA A 44 -10.262 -1.318 -3.877 1.00 0.00 H ATOM 619 HB3 ALA A 44 -10.889 -2.500 -5.047 1.00 0.00 H ATOM 620 N CYS A 45 -7.987 -2.863 -3.292 1.00 0.00 N ATOM 621 CA CYS A 45 -6.589 -3.031 -3.661 1.00 0.00 C ATOM 622 C CYS A 45 -6.025 -4.372 -3.161 1.00 0.00 C ATOM 623 O CYS A 45 -5.427 -5.098 -3.950 1.00 0.00 O ATOM 624 CB CYS A 45 -5.801 -1.812 -3.243 1.00 0.00 C ATOM 625 SG CYS A 45 -5.876 -1.390 -1.487 1.00 0.00 S ATOM 626 H CYS A 45 -8.243 -2.002 -2.840 1.00 0.00 H ATOM 627 HA CYS A 45 -6.545 -3.059 -4.751 1.00 0.00 H ATOM 628 HB2 CYS A 45 -4.754 -1.948 -3.524 1.00 0.00 H ATOM 629 HB3 CYS A 45 -6.159 -0.961 -3.819 1.00 0.00 H ATOM 630 N GLU A 46 -6.274 -4.756 -1.901 1.00 0.00 N ATOM 631 CA GLU A 46 -5.886 -6.077 -1.390 1.00 0.00 C ATOM 632 C GLU A 46 -6.475 -7.193 -2.257 1.00 0.00 C ATOM 633 O GLU A 46 -5.760 -8.078 -2.719 1.00 0.00 O ATOM 634 CB GLU A 46 -6.315 -6.247 0.081 1.00 0.00 C ATOM 635 CG GLU A 46 -6.148 -7.667 0.672 1.00 0.00 C ATOM 636 CD GLU A 46 -4.742 -8.279 0.689 1.00 0.00 C ATOM 637 OE1 GLU A 46 -3.814 -7.751 0.036 1.00 0.00 O ATOM 638 OE2 GLU A 46 -4.606 -9.332 1.352 1.00 0.00 O ATOM 639 H GLU A 46 -6.734 -4.097 -1.290 1.00 0.00 H ATOM 640 HA GLU A 46 -4.801 -6.140 -1.461 1.00 0.00 H ATOM 641 HB2 GLU A 46 -5.775 -5.547 0.713 1.00 0.00 H ATOM 642 HB3 GLU A 46 -7.375 -6.003 0.155 1.00 0.00 H ATOM 643 HG2 GLU A 46 -6.478 -7.625 1.711 1.00 0.00 H ATOM 644 HG3 GLU A 46 -6.802 -8.364 0.149 1.00 0.00 H ATOM 645 N ALA A 47 -7.793 -7.160 -2.486 1.00 0.00 N ATOM 646 CA ALA A 47 -8.461 -8.172 -3.296 1.00 0.00 C ATOM 647 C ALA A 47 -7.855 -8.239 -4.702 1.00 0.00 C ATOM 648 O ALA A 47 -7.809 -9.307 -5.308 1.00 0.00 O ATOM 649 CB ALA A 47 -9.966 -7.896 -3.348 1.00 0.00 C ATOM 650 H ALA A 47 -8.337 -6.386 -2.130 1.00 0.00 H ATOM 651 HA ALA A 47 -8.314 -9.143 -2.819 1.00 0.00 H ATOM 652 HB1 ALA A 47 -10.372 -7.870 -2.336 1.00 0.00 H ATOM 653 HB2 ALA A 47 -10.164 -6.944 -3.839 1.00 0.00 H ATOM 654 HB3 ALA A 47 -10.461 -8.691 -3.908 1.00 0.00 H ATOM 655 N VAL A 48 -7.405 -7.095 -5.224 1.00 0.00 N ATOM 656 CA VAL A 48 -6.767 -7.008 -6.527 1.00 0.00 C ATOM 657 C VAL A 48 -5.311 -7.491 -6.498 1.00 0.00 C ATOM 658 O VAL A 48 -4.869 -8.079 -7.483 1.00 0.00 O ATOM 659 CB VAL A 48 -6.949 -5.582 -7.073 1.00 0.00 C ATOM 660 CG1 VAL A 48 -5.923 -5.193 -8.138 1.00 0.00 C ATOM 661 CG2 VAL A 48 -8.351 -5.469 -7.682 1.00 0.00 C ATOM 662 H VAL A 48 -7.513 -6.239 -4.685 1.00 0.00 H ATOM 663 HA VAL A 48 -7.285 -7.683 -7.211 1.00 0.00 H ATOM 664 HB VAL A 48 -6.859 -4.866 -6.257 1.00 0.00 H ATOM 665 HG11 VAL A 48 -5.904 -5.931 -8.940 1.00 0.00 H ATOM 666 HG12 VAL A 48 -6.196 -4.224 -8.552 1.00 0.00 H ATOM 667 HG13 VAL A 48 -4.935 -5.109 -7.683 1.00 0.00 H ATOM 668 HG21 VAL A 48 -9.108 -5.717 -6.937 1.00 0.00 H ATOM 669 HG22 VAL A 48 -8.511 -4.454 -8.035 1.00 0.00 H ATOM 670 HG23 VAL A 48 -8.447 -6.145 -8.532 1.00 0.00 H ATOM 671 N CYS A 49 -4.552 -7.252 -5.422 1.00 0.00 N ATOM 672 CA CYS A 49 -3.169 -7.714 -5.333 1.00 0.00 C ATOM 673 C CYS A 49 -3.156 -9.247 -5.426 1.00 0.00 C ATOM 674 O CYS A 49 -3.621 -9.918 -4.501 1.00 0.00 O ATOM 675 CB CYS A 49 -2.515 -7.231 -4.057 1.00 0.00 C ATOM 676 SG CYS A 49 -0.763 -7.604 -3.899 1.00 0.00 S ATOM 677 H CYS A 49 -4.950 -6.761 -4.627 1.00 0.00 H ATOM 678 HA CYS A 49 -2.635 -7.266 -6.165 1.00 0.00 H ATOM 679 HB2 CYS A 49 -2.673 -6.163 -3.929 1.00 0.00 H ATOM 680 HB3 CYS A 49 -2.950 -7.758 -3.204 1.00 0.00 H ATOM 681 N PRO A 50 -2.610 -9.853 -6.498 1.00 0.00 N ATOM 682 CA PRO A 50 -2.753 -11.283 -6.771 1.00 0.00 C ATOM 683 C PRO A 50 -1.876 -12.160 -5.863 1.00 0.00 C ATOM 684 O PRO A 50 -1.501 -13.267 -6.242 1.00 0.00 O ATOM 685 CB PRO A 50 -2.374 -11.426 -8.250 1.00 0.00 C ATOM 686 CG PRO A 50 -1.314 -10.339 -8.431 1.00 0.00 C ATOM 687 CD PRO A 50 -1.845 -9.206 -7.554 1.00 0.00 C ATOM 688 HA PRO A 50 -3.793 -11.589 -6.638 1.00 0.00 H ATOM 689 HB2 PRO A 50 -2.003 -12.416 -8.517 1.00 0.00 H ATOM 690 HB3 PRO A 50 -3.241 -11.181 -8.865 1.00 0.00 H ATOM 691 HG2 PRO A 50 -0.360 -10.693 -8.036 1.00 0.00 H ATOM 692 HG3 PRO A 50 -1.203 -10.035 -9.472 1.00 0.00 H ATOM 693 HD2 PRO A 50 -1.015 -8.627 -7.148 1.00 0.00 H ATOM 694 HD3 PRO A 50 -2.493 -8.565 -8.152 1.00 0.00 H ATOM 695 N VAL A 51 -1.543 -11.662 -4.672 1.00 0.00 N ATOM 696 CA VAL A 51 -0.682 -12.285 -3.686 1.00 0.00 C ATOM 697 C VAL A 51 -1.380 -12.293 -2.320 1.00 0.00 C ATOM 698 O VAL A 51 -1.101 -13.178 -1.515 1.00 0.00 O ATOM 699 CB VAL A 51 0.680 -11.547 -3.635 1.00 0.00 C ATOM 700 CG1 VAL A 51 1.026 -10.816 -4.942 1.00 0.00 C ATOM 701 CG2 VAL A 51 0.773 -10.533 -2.489 1.00 0.00 C ATOM 702 H VAL A 51 -1.922 -10.764 -4.423 1.00 0.00 H ATOM 703 HA VAL A 51 -0.493 -13.321 -3.972 1.00 0.00 H ATOM 704 HB VAL A 51 1.455 -12.295 -3.460 1.00 0.00 H ATOM 705 HG11 VAL A 51 0.975 -11.506 -5.784 1.00 0.00 H ATOM 706 HG12 VAL A 51 0.336 -9.984 -5.102 1.00 0.00 H ATOM 707 HG13 VAL A 51 2.038 -10.416 -4.880 1.00 0.00 H ATOM 708 HG21 VAL A 51 -0.079 -9.852 -2.499 1.00 0.00 H ATOM 709 HG22 VAL A 51 0.802 -11.072 -1.542 1.00 0.00 H ATOM 710 HG23 VAL A 51 1.688 -9.951 -2.576 1.00 0.00 H ATOM 711 N SER A 52 -2.255 -11.304 -2.064 1.00 0.00 N ATOM 712 CA SER A 52 -2.845 -10.997 -0.774 1.00 0.00 C ATOM 713 C SER A 52 -1.751 -10.581 0.220 1.00 0.00 C ATOM 714 O SER A 52 -1.043 -11.425 0.765 1.00 0.00 O ATOM 715 CB SER A 52 -3.712 -12.156 -0.291 1.00 0.00 C ATOM 716 OG SER A 52 -4.660 -12.489 -1.290 1.00 0.00 O ATOM 717 H SER A 52 -2.551 -10.690 -2.805 1.00 0.00 H ATOM 718 HA SER A 52 -3.507 -10.148 -0.938 1.00 0.00 H ATOM 719 HB2 SER A 52 -3.082 -13.016 -0.080 1.00 0.00 H ATOM 720 HB3 SER A 52 -4.219 -11.845 0.621 1.00 0.00 H ATOM 721 HG SER A 52 -4.942 -11.676 -1.722 1.00 0.00 H ATOM 722 N ALA A 53 -1.570 -9.271 0.411 1.00 0.00 N ATOM 723 CA ALA A 53 -0.466 -8.716 1.196 1.00 0.00 C ATOM 724 C ALA A 53 -0.771 -7.342 1.791 1.00 0.00 C ATOM 725 O ALA A 53 -0.094 -6.928 2.734 1.00 0.00 O ATOM 726 CB ALA A 53 0.806 -8.628 0.346 1.00 0.00 C ATOM 727 H ALA A 53 -2.301 -8.653 0.054 1.00 0.00 H ATOM 728 HA ALA A 53 -0.251 -9.383 2.029 1.00 0.00 H ATOM 729 HB1 ALA A 53 0.615 -8.058 -0.564 1.00 0.00 H ATOM 730 HB2 ALA A 53 1.596 -8.137 0.915 1.00 0.00 H ATOM 731 HB3 ALA A 53 1.148 -9.629 0.093 1.00 0.00 H ATOM 732 N ILE A 54 -1.734 -6.606 1.236 1.00 0.00 N ATOM 733 CA ILE A 54 -2.089 -5.290 1.725 1.00 0.00 C ATOM 734 C ILE A 54 -2.995 -5.487 2.943 1.00 0.00 C ATOM 735 O ILE A 54 -4.096 -6.016 2.811 1.00 0.00 O ATOM 736 CB ILE A 54 -2.785 -4.488 0.612 1.00 0.00 C ATOM 737 CG1 ILE A 54 -2.011 -4.568 -0.717 1.00 0.00 C ATOM 738 CG2 ILE A 54 -2.967 -3.038 1.072 1.00 0.00 C ATOM 739 CD1 ILE A 54 -2.642 -3.719 -1.825 1.00 0.00 C ATOM 740 H ILE A 54 -2.364 -7.010 0.539 1.00 0.00 H ATOM 741 HA ILE A 54 -1.180 -4.761 2.007 1.00 0.00 H ATOM 742 HB ILE A 54 -3.763 -4.922 0.436 1.00 0.00 H ATOM 743 HG12 ILE A 54 -0.980 -4.258 -0.558 1.00 0.00 H ATOM 744 HG13 ILE A 54 -2.003 -5.599 -1.072 1.00 0.00 H ATOM 745 HG21 ILE A 54 -3.273 -3.008 2.116 1.00 0.00 H ATOM 746 HG22 ILE A 54 -2.025 -2.505 0.969 1.00 0.00 H ATOM 747 HG23 ILE A 54 -3.733 -2.541 0.477 1.00 0.00 H ATOM 748 HD11 ILE A 54 -3.674 -3.468 -1.587 1.00 0.00 H ATOM 749 HD12 ILE A 54 -2.064 -2.808 -1.968 1.00 0.00 H ATOM 750 HD13 ILE A 54 -2.638 -4.275 -2.760 1.00 0.00 H ATOM 751 N TYR A 55 -2.553 -5.068 4.132 1.00 0.00 N ATOM 752 CA TYR A 55 -3.318 -5.221 5.356 1.00 0.00 C ATOM 753 C TYR A 55 -3.491 -3.878 6.023 1.00 0.00 C ATOM 754 O TYR A 55 -2.831 -2.906 5.668 1.00 0.00 O ATOM 755 CB TYR A 55 -2.605 -6.195 6.295 1.00 0.00 C ATOM 756 CG TYR A 55 -2.733 -7.634 5.837 1.00 0.00 C ATOM 757 CD1 TYR A 55 -4.018 -8.162 5.607 1.00 0.00 C ATOM 758 CD2 TYR A 55 -1.604 -8.321 5.352 1.00 0.00 C ATOM 759 CE1 TYR A 55 -4.185 -9.223 4.705 1.00 0.00 C ATOM 760 CE2 TYR A 55 -1.773 -9.456 4.541 1.00 0.00 C ATOM 761 CZ TYR A 55 -3.061 -9.826 4.121 1.00 0.00 C ATOM 762 OH TYR A 55 -3.219 -10.699 3.092 1.00 0.00 O ATOM 763 H TYR A 55 -1.687 -4.548 4.206 1.00 0.00 H ATOM 764 HA TYR A 55 -4.328 -5.575 5.146 1.00 0.00 H ATOM 765 HB2 TYR A 55 -1.559 -5.909 6.348 1.00 0.00 H ATOM 766 HB3 TYR A 55 -3.007 -6.076 7.298 1.00 0.00 H ATOM 767 HD1 TYR A 55 -4.891 -7.655 5.989 1.00 0.00 H ATOM 768 HD2 TYR A 55 -0.611 -7.927 5.515 1.00 0.00 H ATOM 769 HE1 TYR A 55 -5.177 -9.511 4.389 1.00 0.00 H ATOM 770 HE2 TYR A 55 -0.910 -9.962 4.135 1.00 0.00 H ATOM 771 HH TYR A 55 -3.831 -10.309 2.442 1.00 0.00 H ATOM 772 N HIS A 56 -4.388 -3.830 7.004 1.00 0.00 N ATOM 773 CA HIS A 56 -4.599 -2.613 7.752 1.00 0.00 C ATOM 774 C HIS A 56 -3.296 -2.214 8.423 1.00 0.00 C ATOM 775 O HIS A 56 -2.545 -3.076 8.883 1.00 0.00 O ATOM 776 CB HIS A 56 -5.703 -2.799 8.797 1.00 0.00 C ATOM 777 CG HIS A 56 -6.318 -1.500 9.245 1.00 0.00 C ATOM 778 ND1 HIS A 56 -6.250 -0.956 10.506 1.00 0.00 N ATOM 779 CD2 HIS A 56 -6.949 -0.593 8.440 1.00 0.00 C ATOM 780 CE1 HIS A 56 -6.800 0.268 10.451 1.00 0.00 C ATOM 781 NE2 HIS A 56 -7.222 0.546 9.205 1.00 0.00 N ATOM 782 H HIS A 56 -4.859 -4.677 7.280 1.00 0.00 H ATOM 783 HA HIS A 56 -4.863 -1.848 7.029 1.00 0.00 H ATOM 784 HB2 HIS A 56 -6.486 -3.441 8.403 1.00 0.00 H ATOM 785 HB3 HIS A 56 -5.271 -3.285 9.666 1.00 0.00 H ATOM 786 HD1 HIS A 56 -5.884 -1.401 11.333 1.00 0.00 H ATOM 787 HD2 HIS A 56 -7.132 -0.708 7.384 1.00 0.00 H ATOM 788 HE1 HIS A 56 -6.887 0.937 11.295 1.00 0.00 H ATOM 789 N GLU A 57 -3.036 -0.915 8.508 1.00 0.00 N ATOM 790 CA GLU A 57 -1.847 -0.416 9.150 1.00 0.00 C ATOM 791 C GLU A 57 -1.647 -0.984 10.550 1.00 0.00 C ATOM 792 O GLU A 57 -0.541 -1.368 10.929 1.00 0.00 O ATOM 793 CB GLU A 57 -1.860 1.107 9.079 1.00 0.00 C ATOM 794 CG GLU A 57 -2.994 1.702 9.889 1.00 0.00 C ATOM 795 CD GLU A 57 -3.320 3.131 9.482 1.00 0.00 C ATOM 796 OE1 GLU A 57 -2.414 4.000 9.539 1.00 0.00 O ATOM 797 OE2 GLU A 57 -4.487 3.323 9.085 1.00 0.00 O ATOM 798 H GLU A 57 -3.638 -0.230 8.060 1.00 0.00 H ATOM 799 HA GLU A 57 -1.036 -0.817 8.584 1.00 0.00 H ATOM 800 HB2 GLU A 57 -0.950 1.486 9.501 1.00 0.00 H ATOM 801 HB3 GLU A 57 -1.965 1.426 8.046 1.00 0.00 H ATOM 802 HG2 GLU A 57 -3.871 1.086 9.730 1.00 0.00 H ATOM 803 HG3 GLU A 57 -2.689 1.660 10.928 1.00 0.00 H ATOM 804 N ASP A 58 -2.748 -1.095 11.284 1.00 0.00 N ATOM 805 CA ASP A 58 -2.760 -1.741 12.583 1.00 0.00 C ATOM 806 C ASP A 58 -2.334 -3.205 12.507 1.00 0.00 C ATOM 807 O ASP A 58 -1.587 -3.693 13.358 1.00 0.00 O ATOM 808 CB ASP A 58 -4.146 -1.632 13.214 1.00 0.00 C ATOM 809 CG ASP A 58 -4.137 -2.226 14.613 1.00 0.00 C ATOM 810 OD1 ASP A 58 -3.396 -1.675 15.453 1.00 0.00 O ATOM 811 OD2 ASP A 58 -4.865 -3.224 14.798 1.00 0.00 O ATOM 812 H ASP A 58 -3.588 -0.706 10.885 1.00 0.00 H ATOM 813 HA ASP A 58 -2.052 -1.227 13.214 1.00 0.00 H ATOM 814 HB2 ASP A 58 -4.465 -0.592 13.273 1.00 0.00 H ATOM 815 HB3 ASP A 58 -4.847 -2.216 12.628 1.00 0.00 H ATOM 816 N PHE A 59 -2.799 -3.895 11.466 1.00 0.00 N ATOM 817 CA PHE A 59 -2.698 -5.335 11.347 1.00 0.00 C ATOM 818 C PHE A 59 -1.297 -5.743 10.917 1.00 0.00 C ATOM 819 O PHE A 59 -0.812 -6.798 11.319 1.00 0.00 O ATOM 820 CB PHE A 59 -3.724 -5.823 10.323 1.00 0.00 C ATOM 821 CG PHE A 59 -5.200 -5.748 10.681 1.00 0.00 C ATOM 822 CD1 PHE A 59 -5.652 -5.172 11.887 1.00 0.00 C ATOM 823 CD2 PHE A 59 -6.140 -6.220 9.746 1.00 0.00 C ATOM 824 CE1 PHE A 59 -7.029 -5.027 12.127 1.00 0.00 C ATOM 825 CE2 PHE A 59 -7.517 -6.078 9.988 1.00 0.00 C ATOM 826 CZ PHE A 59 -7.962 -5.471 11.175 1.00 0.00 C ATOM 827 H PHE A 59 -3.094 -3.387 10.636 1.00 0.00 H ATOM 828 HA PHE A 59 -2.899 -5.809 12.310 1.00 0.00 H ATOM 829 HB2 PHE A 59 -3.574 -5.282 9.392 1.00 0.00 H ATOM 830 HB3 PHE A 59 -3.482 -6.858 10.129 1.00 0.00 H ATOM 831 HD1 PHE A 59 -4.967 -4.831 12.652 1.00 0.00 H ATOM 832 HD2 PHE A 59 -5.810 -6.701 8.836 1.00 0.00 H ATOM 833 HE1 PHE A 59 -7.361 -4.579 13.054 1.00 0.00 H ATOM 834 HE2 PHE A 59 -8.234 -6.438 9.264 1.00 0.00 H ATOM 835 HZ PHE A 59 -9.020 -5.362 11.364 1.00 0.00 H ATOM 836 N VAL A 60 -0.657 -4.933 10.073 1.00 0.00 N ATOM 837 CA VAL A 60 0.705 -5.201 9.640 1.00 0.00 C ATOM 838 C VAL A 60 1.615 -5.403 10.870 1.00 0.00 C ATOM 839 O VAL A 60 1.644 -4.520 11.728 1.00 0.00 O ATOM 840 CB VAL A 60 1.180 -4.065 8.719 1.00 0.00 C ATOM 841 CG1 VAL A 60 2.695 -4.152 8.524 1.00 0.00 C ATOM 842 CG2 VAL A 60 0.468 -4.191 7.363 1.00 0.00 C ATOM 843 H VAL A 60 -1.129 -4.097 9.740 1.00 0.00 H ATOM 844 HA VAL A 60 0.670 -6.104 9.038 1.00 0.00 H ATOM 845 HB VAL A 60 0.946 -3.093 9.160 1.00 0.00 H ATOM 846 HG11 VAL A 60 2.969 -5.171 8.259 1.00 0.00 H ATOM 847 HG12 VAL A 60 3.017 -3.477 7.736 1.00 0.00 H ATOM 848 HG13 VAL A 60 3.205 -3.865 9.443 1.00 0.00 H ATOM 849 HG21 VAL A 60 0.601 -5.195 6.961 1.00 0.00 H ATOM 850 HG22 VAL A 60 -0.595 -3.990 7.480 1.00 0.00 H ATOM 851 HG23 VAL A 60 0.868 -3.486 6.637 1.00 0.00 H ATOM 852 N PRO A 61 2.337 -6.536 10.988 1.00 0.00 N ATOM 853 CA PRO A 61 3.221 -6.810 12.117 1.00 0.00 C ATOM 854 C PRO A 61 4.247 -5.699 12.349 1.00 0.00 C ATOM 855 O PRO A 61 4.718 -5.088 11.396 1.00 0.00 O ATOM 856 CB PRO A 61 3.935 -8.122 11.778 1.00 0.00 C ATOM 857 CG PRO A 61 2.962 -8.831 10.841 1.00 0.00 C ATOM 858 CD PRO A 61 2.306 -7.678 10.085 1.00 0.00 C ATOM 859 HA PRO A 61 2.604 -6.948 13.007 1.00 0.00 H ATOM 860 HB2 PRO A 61 4.860 -7.914 11.235 1.00 0.00 H ATOM 861 HB3 PRO A 61 4.159 -8.710 12.669 1.00 0.00 H ATOM 862 HG2 PRO A 61 3.467 -9.530 10.173 1.00 0.00 H ATOM 863 HG3 PRO A 61 2.208 -9.352 11.434 1.00 0.00 H ATOM 864 HD2 PRO A 61 2.884 -7.444 9.189 1.00 0.00 H ATOM 865 HD3 PRO A 61 1.293 -7.983 9.821 1.00 0.00 H ATOM 866 N GLU A 62 4.606 -5.448 13.606 1.00 0.00 N ATOM 867 CA GLU A 62 5.597 -4.529 14.112 1.00 0.00 C ATOM 868 C GLU A 62 6.891 -4.499 13.294 1.00 0.00 C ATOM 869 O GLU A 62 7.368 -3.418 12.956 1.00 0.00 O ATOM 870 CB GLU A 62 5.773 -4.949 15.568 1.00 0.00 C ATOM 871 CG GLU A 62 4.744 -4.280 16.499 1.00 0.00 C ATOM 872 CD GLU A 62 3.307 -4.478 16.032 1.00 0.00 C ATOM 873 OE1 GLU A 62 2.965 -5.632 15.701 1.00 0.00 O ATOM 874 OE2 GLU A 62 2.590 -3.461 15.908 1.00 0.00 O ATOM 875 H GLU A 62 4.149 -5.923 14.382 1.00 0.00 H ATOM 876 HA GLU A 62 5.228 -3.510 14.118 1.00 0.00 H ATOM 877 HB2 GLU A 62 5.676 -6.029 15.650 1.00 0.00 H ATOM 878 HB3 GLU A 62 6.766 -4.700 15.868 1.00 0.00 H ATOM 879 HG2 GLU A 62 4.840 -4.702 17.499 1.00 0.00 H ATOM 880 HG3 GLU A 62 4.951 -3.211 16.552 1.00 0.00 H ATOM 881 N GLU A 63 7.436 -5.653 12.917 1.00 0.00 N ATOM 882 CA GLU A 63 8.569 -5.740 12.003 1.00 0.00 C ATOM 883 C GLU A 63 8.341 -4.858 10.764 1.00 0.00 C ATOM 884 O GLU A 63 9.229 -4.137 10.306 1.00 0.00 O ATOM 885 CB GLU A 63 8.787 -7.203 11.591 1.00 0.00 C ATOM 886 CG GLU A 63 8.931 -8.171 12.780 1.00 0.00 C ATOM 887 CD GLU A 63 7.621 -8.861 13.159 1.00 0.00 C ATOM 888 OE1 GLU A 63 6.687 -8.132 13.559 1.00 0.00 O ATOM 889 OE2 GLU A 63 7.572 -10.101 13.027 1.00 0.00 O ATOM 890 H GLU A 63 7.008 -6.521 13.237 1.00 0.00 H ATOM 891 HA GLU A 63 9.462 -5.398 12.520 1.00 0.00 H ATOM 892 HB2 GLU A 63 7.961 -7.533 10.963 1.00 0.00 H ATOM 893 HB3 GLU A 63 9.701 -7.245 10.997 1.00 0.00 H ATOM 894 HG2 GLU A 63 9.632 -8.956 12.493 1.00 0.00 H ATOM 895 HG3 GLU A 63 9.338 -7.655 13.649 1.00 0.00 H ATOM 896 N TRP A 64 7.122 -4.927 10.229 1.00 0.00 N ATOM 897 CA TRP A 64 6.682 -4.266 9.016 1.00 0.00 C ATOM 898 C TRP A 64 5.882 -2.985 9.286 1.00 0.00 C ATOM 899 O TRP A 64 5.597 -2.260 8.335 1.00 0.00 O ATOM 900 CB TRP A 64 5.904 -5.283 8.172 1.00 0.00 C ATOM 901 CG TRP A 64 6.695 -6.410 7.569 1.00 0.00 C ATOM 902 CD1 TRP A 64 8.045 -6.483 7.466 1.00 0.00 C ATOM 903 CD2 TRP A 64 6.185 -7.608 6.902 1.00 0.00 C ATOM 904 NE1 TRP A 64 8.396 -7.627 6.784 1.00 0.00 N ATOM 905 CE2 TRP A 64 7.296 -8.362 6.426 1.00 0.00 C ATOM 906 CE3 TRP A 64 4.900 -8.116 6.607 1.00 0.00 C ATOM 907 CZ2 TRP A 64 7.153 -9.541 5.690 1.00 0.00 C ATOM 908 CZ3 TRP A 64 4.742 -9.283 5.832 1.00 0.00 C ATOM 909 CH2 TRP A 64 5.868 -9.977 5.352 1.00 0.00 C ATOM 910 H TRP A 64 6.417 -5.458 10.728 1.00 0.00 H ATOM 911 HA TRP A 64 7.547 -3.946 8.439 1.00 0.00 H ATOM 912 HB2 TRP A 64 5.136 -5.724 8.804 1.00 0.00 H ATOM 913 HB3 TRP A 64 5.406 -4.764 7.354 1.00 0.00 H ATOM 914 HD1 TRP A 64 8.755 -5.749 7.817 1.00 0.00 H ATOM 915 HE1 TRP A 64 9.339 -7.859 6.454 1.00 0.00 H ATOM 916 HE3 TRP A 64 4.026 -7.581 6.945 1.00 0.00 H ATOM 917 HZ2 TRP A 64 8.026 -10.057 5.316 1.00 0.00 H ATOM 918 HZ3 TRP A 64 3.749 -9.625 5.574 1.00 0.00 H ATOM 919 HH2 TRP A 64 5.781 -10.783 4.643 1.00 0.00 H ATOM 920 N LYS A 65 5.573 -2.624 10.541 1.00 0.00 N ATOM 921 CA LYS A 65 5.019 -1.329 10.888 1.00 0.00 C ATOM 922 C LYS A 65 5.951 -0.229 10.349 1.00 0.00 C ATOM 923 O LYS A 65 5.504 0.854 9.969 1.00 0.00 O ATOM 924 CB LYS A 65 4.866 -1.276 12.411 1.00 0.00 C ATOM 925 CG LYS A 65 3.637 -1.994 12.999 1.00 0.00 C ATOM 926 CD LYS A 65 2.297 -1.368 12.615 1.00 0.00 C ATOM 927 CE LYS A 65 1.193 -1.640 13.654 1.00 0.00 C ATOM 928 NZ LYS A 65 0.951 -3.079 13.885 1.00 0.00 N ATOM 929 H LYS A 65 5.787 -3.211 11.335 1.00 0.00 H ATOM 930 HA LYS A 65 4.042 -1.212 10.420 1.00 0.00 H ATOM 931 HB2 LYS A 65 5.769 -1.658 12.876 1.00 0.00 H ATOM 932 HB3 LYS A 65 4.824 -0.251 12.706 1.00 0.00 H ATOM 933 HG2 LYS A 65 3.630 -3.036 12.683 1.00 0.00 H ATOM 934 HG3 LYS A 65 3.723 -1.943 14.086 1.00 0.00 H ATOM 935 HD2 LYS A 65 2.423 -0.289 12.535 1.00 0.00 H ATOM 936 HD3 LYS A 65 1.998 -1.768 11.646 1.00 0.00 H ATOM 937 HE2 LYS A 65 1.451 -1.177 14.609 1.00 0.00 H ATOM 938 HE3 LYS A 65 0.272 -1.183 13.299 1.00 0.00 H ATOM 939 HZ1 LYS A 65 1.197 -3.620 13.065 1.00 0.00 H ATOM 940 HZ2 LYS A 65 1.519 -3.402 14.668 1.00 0.00 H ATOM 941 HZ3 LYS A 65 -0.032 -3.265 14.077 1.00 0.00 H ATOM 942 N SER A 66 7.248 -0.528 10.243 1.00 0.00 N ATOM 943 CA SER A 66 8.231 0.286 9.550 1.00 0.00 C ATOM 944 C SER A 66 7.703 0.775 8.190 1.00 0.00 C ATOM 945 O SER A 66 7.824 1.953 7.850 1.00 0.00 O ATOM 946 CB SER A 66 9.504 -0.550 9.402 1.00 0.00 C ATOM 947 OG SER A 66 9.665 -1.384 10.541 1.00 0.00 O ATOM 948 H SER A 66 7.607 -1.379 10.658 1.00 0.00 H ATOM 949 HA SER A 66 8.472 1.140 10.169 1.00 0.00 H ATOM 950 HB2 SER A 66 9.416 -1.162 8.511 1.00 0.00 H ATOM 951 HB3 SER A 66 10.366 0.110 9.292 1.00 0.00 H ATOM 952 HG SER A 66 9.655 -2.321 10.287 1.00 0.00 H ATOM 953 N TYR A 67 7.079 -0.117 7.412 1.00 0.00 N ATOM 954 CA TYR A 67 6.492 0.265 6.140 1.00 0.00 C ATOM 955 C TYR A 67 5.302 1.193 6.324 1.00 0.00 C ATOM 956 O TYR A 67 5.088 2.034 5.463 1.00 0.00 O ATOM 957 CB TYR A 67 6.043 -0.935 5.309 1.00 0.00 C ATOM 958 CG TYR A 67 7.173 -1.773 4.745 1.00 0.00 C ATOM 959 CD1 TYR A 67 7.894 -1.316 3.626 1.00 0.00 C ATOM 960 CD2 TYR A 67 7.517 -3.000 5.342 1.00 0.00 C ATOM 961 CE1 TYR A 67 8.956 -2.080 3.113 1.00 0.00 C ATOM 962 CE2 TYR A 67 8.583 -3.760 4.830 1.00 0.00 C ATOM 963 CZ TYR A 67 9.285 -3.315 3.696 1.00 0.00 C ATOM 964 OH TYR A 67 10.330 -4.032 3.196 1.00 0.00 O ATOM 965 H TYR A 67 6.886 -1.049 7.762 1.00 0.00 H ATOM 966 HA TYR A 67 7.247 0.802 5.564 1.00 0.00 H ATOM 967 HB2 TYR A 67 5.373 -1.554 5.902 1.00 0.00 H ATOM 968 HB3 TYR A 67 5.456 -0.524 4.482 1.00 0.00 H ATOM 969 HD1 TYR A 67 7.636 -0.377 3.157 1.00 0.00 H ATOM 970 HD2 TYR A 67 6.966 -3.358 6.196 1.00 0.00 H ATOM 971 HE1 TYR A 67 9.499 -1.736 2.245 1.00 0.00 H ATOM 972 HE2 TYR A 67 8.867 -4.684 5.312 1.00 0.00 H ATOM 973 HH TYR A 67 10.445 -4.908 3.609 1.00 0.00 H ATOM 974 N ILE A 68 4.503 1.066 7.384 1.00 0.00 N ATOM 975 CA ILE A 68 3.379 1.957 7.602 1.00 0.00 C ATOM 976 C ILE A 68 3.950 3.353 7.804 1.00 0.00 C ATOM 977 O ILE A 68 3.509 4.311 7.168 1.00 0.00 O ATOM 978 CB ILE A 68 2.555 1.438 8.793 1.00 0.00 C ATOM 979 CG1 ILE A 68 1.618 0.298 8.383 1.00 0.00 C ATOM 980 CG2 ILE A 68 1.739 2.545 9.455 1.00 0.00 C ATOM 981 CD1 ILE A 68 2.278 -0.805 7.560 1.00 0.00 C ATOM 982 H ILE A 68 4.720 0.442 8.150 1.00 0.00 H ATOM 983 HA ILE A 68 2.743 1.995 6.719 1.00 0.00 H ATOM 984 HB ILE A 68 3.205 1.048 9.568 1.00 0.00 H ATOM 985 HG12 ILE A 68 1.234 -0.155 9.294 1.00 0.00 H ATOM 986 HG13 ILE A 68 0.790 0.695 7.803 1.00 0.00 H ATOM 987 HG21 ILE A 68 1.095 3.021 8.717 1.00 0.00 H ATOM 988 HG22 ILE A 68 1.141 2.116 10.257 1.00 0.00 H ATOM 989 HG23 ILE A 68 2.416 3.276 9.893 1.00 0.00 H ATOM 990 HD11 ILE A 68 3.135 -1.208 8.097 1.00 0.00 H ATOM 991 HD12 ILE A 68 1.541 -1.585 7.409 1.00 0.00 H ATOM 992 HD13 ILE A 68 2.584 -0.445 6.578 1.00 0.00 H ATOM 993 N GLN A 69 4.979 3.454 8.649 1.00 0.00 N ATOM 994 CA GLN A 69 5.683 4.707 8.840 1.00 0.00 C ATOM 995 C GLN A 69 6.187 5.237 7.493 1.00 0.00 C ATOM 996 O GLN A 69 5.980 6.406 7.179 1.00 0.00 O ATOM 997 CB GLN A 69 6.806 4.523 9.871 1.00 0.00 C ATOM 998 CG GLN A 69 7.386 5.854 10.367 1.00 0.00 C ATOM 999 CD GLN A 69 6.388 6.643 11.209 1.00 0.00 C ATOM 1000 OE1 GLN A 69 6.284 6.439 12.413 1.00 0.00 O ATOM 1001 NE2 GLN A 69 5.640 7.550 10.587 1.00 0.00 N ATOM 1002 H GLN A 69 5.298 2.618 9.134 1.00 0.00 H ATOM 1003 HA GLN A 69 4.950 5.410 9.231 1.00 0.00 H ATOM 1004 HB2 GLN A 69 6.417 3.979 10.734 1.00 0.00 H ATOM 1005 HB3 GLN A 69 7.611 3.937 9.431 1.00 0.00 H ATOM 1006 HG2 GLN A 69 8.249 5.633 10.997 1.00 0.00 H ATOM 1007 HG3 GLN A 69 7.722 6.460 9.526 1.00 0.00 H ATOM 1008 HE21 GLN A 69 5.746 7.711 9.596 1.00 0.00 H ATOM 1009 HE22 GLN A 69 4.991 8.088 11.141 1.00 0.00 H ATOM 1010 N LYS A 70 6.816 4.388 6.675 1.00 0.00 N ATOM 1011 CA LYS A 70 7.369 4.812 5.395 1.00 0.00 C ATOM 1012 C LYS A 70 6.285 5.300 4.436 1.00 0.00 C ATOM 1013 O LYS A 70 6.473 6.311 3.754 1.00 0.00 O ATOM 1014 CB LYS A 70 8.179 3.672 4.761 1.00 0.00 C ATOM 1015 CG LYS A 70 8.949 4.106 3.505 1.00 0.00 C ATOM 1016 CD LYS A 70 10.081 5.110 3.793 1.00 0.00 C ATOM 1017 CE LYS A 70 10.117 6.228 2.740 1.00 0.00 C ATOM 1018 NZ LYS A 70 8.977 7.166 2.860 1.00 0.00 N ATOM 1019 H LYS A 70 6.963 3.431 6.981 1.00 0.00 H ATOM 1020 HA LYS A 70 8.006 5.662 5.609 1.00 0.00 H ATOM 1021 HB2 LYS A 70 8.866 3.246 5.486 1.00 0.00 H ATOM 1022 HB3 LYS A 70 7.479 2.894 4.468 1.00 0.00 H ATOM 1023 HG2 LYS A 70 9.379 3.226 3.020 1.00 0.00 H ATOM 1024 HG3 LYS A 70 8.233 4.515 2.803 1.00 0.00 H ATOM 1025 HD2 LYS A 70 10.005 5.547 4.789 1.00 0.00 H ATOM 1026 HD3 LYS A 70 11.028 4.566 3.761 1.00 0.00 H ATOM 1027 HE2 LYS A 70 11.039 6.800 2.866 1.00 0.00 H ATOM 1028 HE3 LYS A 70 10.131 5.783 1.744 1.00 0.00 H ATOM 1029 HZ1 LYS A 70 8.084 6.709 3.022 1.00 0.00 H ATOM 1030 HZ2 LYS A 70 9.139 7.803 3.638 1.00 0.00 H ATOM 1031 HZ3 LYS A 70 8.905 7.734 2.030 1.00 0.00 H ATOM 1032 N ASN A 71 5.195 4.540 4.348 1.00 0.00 N ATOM 1033 CA ASN A 71 4.018 4.857 3.547 1.00 0.00 C ATOM 1034 C ASN A 71 3.404 6.194 3.979 1.00 0.00 C ATOM 1035 O ASN A 71 3.057 7.011 3.130 1.00 0.00 O ATOM 1036 CB ASN A 71 2.993 3.719 3.601 1.00 0.00 C ATOM 1037 CG ASN A 71 3.236 2.602 2.582 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.604 2.542 1.530 1.00 0.00 O ATOM 1039 ND2 ASN A 71 4.144 1.683 2.882 1.00 0.00 N ATOM 1040 H ASN A 71 5.210 3.677 4.886 1.00 0.00 H ATOM 1041 HA ASN A 71 4.314 4.957 2.511 1.00 0.00 H ATOM 1042 HB2 ASN A 71 2.966 3.323 4.608 1.00 0.00 H ATOM 1043 HB3 ASN A 71 2.017 4.125 3.378 1.00 0.00 H ATOM 1044 HD21 ASN A 71 4.622 1.728 3.773 1.00 0.00 H ATOM 1045 HD22 ASN A 71 4.306 0.924 2.240 1.00 0.00 H ATOM 1046 N ARG A 72 3.297 6.445 5.289 1.00 0.00 N ATOM 1047 CA ARG A 72 2.848 7.708 5.849 1.00 0.00 C ATOM 1048 C ARG A 72 3.749 8.813 5.302 1.00 0.00 C ATOM 1049 O ARG A 72 3.304 9.749 4.626 1.00 0.00 O ATOM 1050 CB ARG A 72 2.960 7.580 7.374 1.00 0.00 C ATOM 1051 CG ARG A 72 2.240 8.659 8.181 1.00 0.00 C ATOM 1052 CD ARG A 72 1.300 7.964 9.163 1.00 0.00 C ATOM 1053 NE ARG A 72 0.138 7.422 8.447 1.00 0.00 N ATOM 1054 CZ ARG A 72 -0.686 6.456 8.894 1.00 0.00 C ATOM 1055 NH1 ARG A 72 -0.255 5.484 9.698 1.00 0.00 N ATOM 1056 NH2 ARG A 72 -1.967 6.437 8.547 1.00 0.00 N ATOM 1057 H ARG A 72 3.638 5.778 5.969 1.00 0.00 H ATOM 1058 HA ARG A 72 1.801 7.881 5.612 1.00 0.00 H ATOM 1059 HB2 ARG A 72 2.563 6.604 7.638 1.00 0.00 H ATOM 1060 HB3 ARG A 72 3.994 7.593 7.692 1.00 0.00 H ATOM 1061 HG2 ARG A 72 2.971 9.255 8.730 1.00 0.00 H ATOM 1062 HG3 ARG A 72 1.663 9.318 7.538 1.00 0.00 H ATOM 1063 HD2 ARG A 72 1.854 7.200 9.705 1.00 0.00 H ATOM 1064 HD3 ARG A 72 0.934 8.709 9.870 1.00 0.00 H ATOM 1065 HE ARG A 72 -0.136 7.952 7.615 1.00 0.00 H ATOM 1066 HH11 ARG A 72 0.700 5.413 9.999 1.00 0.00 H ATOM 1067 HH12 ARG A 72 -0.940 4.740 9.892 1.00 0.00 H ATOM 1068 HH21 ARG A 72 -2.357 7.278 8.099 1.00 0.00 H ATOM 1069 HH22 ARG A 72 -2.539 5.631 8.832 1.00 0.00 H ATOM 1070 N ASP A 73 5.035 8.634 5.610 1.00 0.00 N ATOM 1071 CA ASP A 73 6.131 9.557 5.438 1.00 0.00 C ATOM 1072 C ASP A 73 6.328 9.974 3.984 1.00 0.00 C ATOM 1073 O ASP A 73 6.600 11.146 3.726 1.00 0.00 O ATOM 1074 CB ASP A 73 7.360 8.816 5.960 1.00 0.00 C ATOM 1075 CG ASP A 73 8.642 9.535 5.601 1.00 0.00 C ATOM 1076 OD1 ASP A 73 8.922 10.566 6.245 1.00 0.00 O ATOM 1077 OD2 ASP A 73 9.270 9.092 4.616 1.00 0.00 O ATOM 1078 H ASP A 73 5.288 7.772 6.090 1.00 0.00 H ATOM 1079 HA ASP A 73 5.947 10.451 6.041 1.00 0.00 H ATOM 1080 HB2 ASP A 73 7.267 8.692 7.038 1.00 0.00 H ATOM 1081 HB3 ASP A 73 7.374 7.823 5.519 1.00 0.00 H ATOM 1082 N PHE A 74 6.214 9.017 3.056 1.00 0.00 N ATOM 1083 CA PHE A 74 6.347 9.235 1.615 1.00 0.00 C ATOM 1084 C PHE A 74 5.729 10.563 1.178 1.00 0.00 C ATOM 1085 O PHE A 74 6.372 11.354 0.493 1.00 0.00 O ATOM 1086 CB PHE A 74 5.735 8.075 0.825 1.00 0.00 C ATOM 1087 CG PHE A 74 6.733 7.200 0.094 1.00 0.00 C ATOM 1088 CD1 PHE A 74 7.253 7.624 -1.143 1.00 0.00 C ATOM 1089 CD2 PHE A 74 7.091 5.939 0.600 1.00 0.00 C ATOM 1090 CE1 PHE A 74 8.152 6.805 -1.850 1.00 0.00 C ATOM 1091 CE2 PHE A 74 8.074 5.175 -0.050 1.00 0.00 C ATOM 1092 CZ PHE A 74 8.593 5.598 -1.283 1.00 0.00 C ATOM 1093 H PHE A 74 6.013 8.080 3.389 1.00 0.00 H ATOM 1094 HA PHE A 74 7.391 9.260 1.344 1.00 0.00 H ATOM 1095 HB2 PHE A 74 5.096 7.479 1.470 1.00 0.00 H ATOM 1096 HB3 PHE A 74 5.109 8.516 0.058 1.00 0.00 H ATOM 1097 HD1 PHE A 74 6.924 8.556 -1.583 1.00 0.00 H ATOM 1098 HD2 PHE A 74 6.553 5.517 1.433 1.00 0.00 H ATOM 1099 HE1 PHE A 74 8.490 7.099 -2.834 1.00 0.00 H ATOM 1100 HE2 PHE A 74 8.388 4.224 0.352 1.00 0.00 H ATOM 1101 HZ PHE A 74 9.291 4.963 -1.809 1.00 0.00 H ATOM 1102 N PHE A 75 4.473 10.770 1.567 1.00 0.00 N ATOM 1103 CA PHE A 75 3.658 11.875 1.087 1.00 0.00 C ATOM 1104 C PHE A 75 3.546 12.982 2.136 1.00 0.00 C ATOM 1105 O PHE A 75 3.250 14.123 1.794 1.00 0.00 O ATOM 1106 CB PHE A 75 2.298 11.329 0.657 1.00 0.00 C ATOM 1107 CG PHE A 75 2.393 10.014 -0.098 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.927 9.998 -1.400 1.00 0.00 C ATOM 1109 CD2 PHE A 75 2.152 8.798 0.571 1.00 0.00 C ATOM 1110 CE1 PHE A 75 3.219 8.774 -2.026 1.00 0.00 C ATOM 1111 CE2 PHE A 75 2.402 7.574 -0.071 1.00 0.00 C ATOM 1112 CZ PHE A 75 2.956 7.565 -1.361 1.00 0.00 C ATOM 1113 H PHE A 75 4.023 10.051 2.116 1.00 0.00 H ATOM 1114 HA PHE A 75 4.099 12.307 0.193 1.00 0.00 H ATOM 1115 HB2 PHE A 75 1.714 11.194 1.556 1.00 0.00 H ATOM 1116 HB3 PHE A 75 1.783 12.070 0.042 1.00 0.00 H ATOM 1117 HD1 PHE A 75 3.149 10.925 -1.908 1.00 0.00 H ATOM 1118 HD2 PHE A 75 1.779 8.789 1.583 1.00 0.00 H ATOM 1119 HE1 PHE A 75 3.637 8.764 -3.022 1.00 0.00 H ATOM 1120 HE2 PHE A 75 2.185 6.644 0.436 1.00 0.00 H ATOM 1121 HZ PHE A 75 3.166 6.627 -1.845 1.00 0.00 H ATOM 1122 N LYS A 76 3.781 12.663 3.415 1.00 0.00 N ATOM 1123 CA LYS A 76 3.909 13.679 4.451 1.00 0.00 C ATOM 1124 C LYS A 76 5.335 14.228 4.369 1.00 0.00 C ATOM 1125 O LYS A 76 6.198 13.867 5.172 1.00 0.00 O ATOM 1126 CB LYS A 76 3.626 13.082 5.839 1.00 0.00 C ATOM 1127 CG LYS A 76 2.161 13.162 6.310 1.00 0.00 C ATOM 1128 CD LYS A 76 1.315 11.920 6.007 1.00 0.00 C ATOM 1129 CE LYS A 76 0.736 11.848 4.588 1.00 0.00 C ATOM 1130 NZ LYS A 76 0.614 10.446 4.147 1.00 0.00 N ATOM 1131 H LYS A 76 4.058 11.718 3.645 1.00 0.00 H ATOM 1132 HA LYS A 76 3.220 14.507 4.278 1.00 0.00 H ATOM 1133 HB2 LYS A 76 4.008 12.064 5.907 1.00 0.00 H ATOM 1134 HB3 LYS A 76 4.197 13.682 6.547 1.00 0.00 H ATOM 1135 HG2 LYS A 76 2.220 13.216 7.398 1.00 0.00 H ATOM 1136 HG3 LYS A 76 1.673 14.071 5.955 1.00 0.00 H ATOM 1137 HD2 LYS A 76 1.937 11.053 6.206 1.00 0.00 H ATOM 1138 HD3 LYS A 76 0.475 11.880 6.705 1.00 0.00 H ATOM 1139 HE2 LYS A 76 -0.250 12.316 4.574 1.00 0.00 H ATOM 1140 HE3 LYS A 76 1.363 12.382 3.882 1.00 0.00 H ATOM 1141 HZ1 LYS A 76 0.037 9.907 4.797 1.00 0.00 H ATOM 1142 HZ2 LYS A 76 0.151 10.377 3.239 1.00 0.00 H ATOM 1143 HZ3 LYS A 76 1.530 10.010 4.103 1.00 0.00 H ATOM 1144 N LYS A 77 5.612 15.058 3.368 1.00 0.00 N ATOM 1145 CA LYS A 77 6.954 15.487 3.043 1.00 0.00 C ATOM 1146 C LYS A 77 6.847 16.803 2.280 1.00 0.00 C ATOM 1147 O LYS A 77 5.723 17.079 1.803 1.00 0.00 O ATOM 1148 CB LYS A 77 7.606 14.383 2.197 1.00 0.00 C ATOM 1149 CG LYS A 77 9.134 14.480 2.107 1.00 0.00 C ATOM 1150 CD LYS A 77 9.894 14.271 3.428 1.00 0.00 C ATOM 1151 CE LYS A 77 9.731 12.882 4.072 1.00 0.00 C ATOM 1152 NZ LYS A 77 8.466 12.706 4.806 1.00 0.00 N ATOM 1153 OXT LYS A 77 7.882 17.498 2.196 1.00 0.00 O ATOM 1154 H LYS A 77 4.896 15.404 2.732 1.00 0.00 H ATOM 1155 HA LYS A 77 7.509 15.668 3.962 1.00 0.00 H ATOM 1156 HB2 LYS A 77 7.321 13.407 2.581 1.00 0.00 H ATOM 1157 HB3 LYS A 77 7.196 14.455 1.188 1.00 0.00 H ATOM 1158 HG2 LYS A 77 9.478 13.743 1.379 1.00 0.00 H ATOM 1159 HG3 LYS A 77 9.384 15.470 1.718 1.00 0.00 H ATOM 1160 HD2 LYS A 77 10.954 14.392 3.191 1.00 0.00 H ATOM 1161 HD3 LYS A 77 9.644 15.059 4.141 1.00 0.00 H ATOM 1162 HE2 LYS A 77 9.810 12.084 3.331 1.00 0.00 H ATOM 1163 HE3 LYS A 77 10.532 12.742 4.799 1.00 0.00 H ATOM 1164 HZ1 LYS A 77 8.099 13.537 5.255 1.00 0.00 H ATOM 1165 HZ2 LYS A 77 7.721 12.369 4.202 1.00 0.00 H ATOM 1166 HZ3 LYS A 77 8.596 11.982 5.508 1.00 0.00 H TER 1167 LYS A 77 HETATM 1168 FE1 SF4 A 78 2.435 -4.645 -4.283 1.00 0.00 FE HETATM 1169 FE2 SF4 A 78 1.669 -5.244 -6.659 1.00 0.00 FE HETATM 1170 FE3 SF4 A 78 0.340 -3.701 -5.314 1.00 0.00 FE HETATM 1171 FE4 SF4 A 78 0.409 -6.150 -4.694 1.00 0.00 FE HETATM 1172 S1 SF4 A 78 2.450 -6.700 -5.267 1.00 0.00 S HETATM 1173 S2 SF4 A 78 2.331 -3.332 -6.083 1.00 0.00 S HETATM 1174 S3 SF4 A 78 0.451 -4.420 -3.384 1.00 0.00 S HETATM 1175 S4 SF4 A 78 -0.506 -5.496 -6.470 1.00 0.00 S HETATM 1176 FE1 SF4 A 79 -7.428 2.785 -2.306 1.00 0.00 FE HETATM 1177 FE2 SF4 A 79 -7.378 2.308 0.207 1.00 0.00 FE HETATM 1178 FE3 SF4 A 79 -9.086 1.228 -1.195 1.00 0.00 FE HETATM 1179 FE4 SF4 A 79 -6.703 0.469 -1.339 1.00 0.00 FE HETATM 1180 S1 SF4 A 79 -5.590 2.339 -1.059 1.00 0.00 S HETATM 1181 S2 SF4 A 79 -8.965 3.347 -0.731 1.00 0.00 S HETATM 1182 S3 SF4 A 79 -8.105 0.793 -2.950 1.00 0.00 S HETATM 1183 S4 SF4 A 79 -7.838 0.193 0.393 1.00 0.00 S CONECT 117 1168 CONECT 189 1169 CONECT 220 1170 CONECT 277 1176 CONECT 557 1177 CONECT 598 1178 CONECT 625 1179 CONECT 676 1171 CONECT 1168 117 1173 1174 1175 CONECT 1169 189 1172 1174 1175 CONECT 1170 220 1172 1173 1175 CONECT 1171 676 1172 1173 1174 CONECT 1172 1169 1170 1171 CONECT 1173 1168 1170 1171 CONECT 1174 1168 1169 1171 CONECT 1175 1168 1169 1170 CONECT 1176 277 1181 1182 1183 CONECT 1177 557 1180 1182 1183 CONECT 1178 598 1180 1181 1183 CONECT 1179 625 1180 1181 1182 CONECT 1180 1177 1178 1179 CONECT 1181 1176 1178 1179 CONECT 1182 1176 1177 1179 CONECT 1183 1176 1177 1178 MASTER 123 0 2 2 2 0 4 6 1182 1 24 6 END