USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) 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 *** AC1 7 CYS A 8 CYS A 13 SER A 15 CYS A 16 SITE *** AC1 7 TYR A 32 CYS A 49 ILE A 54 SITE *** AC2 7 CYS A 20 CYS A 24 ILE A 34 CYS A 39 SITE *** 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 ALA N :NH3+ 179:sc= 1.47 (180deg=0.781) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -1.93! C(o=-0.46!,f=-17!) USER MOD Set 2.1: A 31 GLN : amide:sc= -1.56! K(o=-0.35!,f=-2) USER MOD Set 2.2: A 33 TYR OH : rot 131:sc= 1.21 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.345 USER MOD Single : A 11 THR OG1 : rot -45:sc= 1.26 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 3.18 (180deg=3.07) USER MOD Single : A 15 SER OG : rot 7:sc= 0.754 USER MOD Single : A 24 CYS SG : rot -53:sc= 0.795 USER MOD Single : A 26 HIS : no HE2:sc= -0.387 X(o=-0.39,f=-0.74) USER MOD Single : A 32 TYR OH : rot -75:sc= 1.24 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 73:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= 3.5 (180deg=0.457) USER MOD Single : A 66 SER OG : rot 108:sc= 1.16 USER MOD Single : A 67 TYR OH : rot -175:sc= 1.29 USER MOD Single : A 69 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.097) USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= 2.6 (180deg=1.99) USER MOD Single : A 71 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.36) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 1.63! (180deg=1.48!) USER MOD Single : A 77 LYS NZ :NH3+ -133:sc= 2.03 (180deg=-3.02!) USER MOD ----------------------------------------------------------------- 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 0 H1 ALA A 1 -7.109 3.558 7.865 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.227 1.865 7.907 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.773 2.625 8.344 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.022 2.578 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.988 3.777 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.933 4.722 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.456 3.875 6.647 1.00 0.00 H new 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 0 H TYR A 2 -5.792 1.423 4.008 1.00 0.00 H new ATOM 0 HA TYR A 2 -4.511 -0.975 5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.091 -0.316 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.003 -1.690 2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.808 -0.195 4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.772 -3.776 3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.501 -1.573 5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -7.510 -5.154 4.550 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.398 -5.161 5.710 1.00 0.00 H new 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 0 H VAL A 3 -2.433 -1.659 4.449 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.984 0.184 2.669 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.049 -0.618 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.658 1.188 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.740 -0.081 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.942 1.469 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.426 1.778 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.154 2.076 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.951 0.976 5.624 1.00 0.00 H new 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 0 H ILE A 4 0.656 -0.706 1.485 1.00 0.00 H new ATOM 0 HA ILE A 4 0.956 -3.511 1.206 1.00 0.00 H new ATOM 0 HB ILE A 4 2.746 -2.851 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.105 -0.274 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.582 -0.133 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.500 -1.265 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.446 -2.541 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.382 -0.897 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.034 -0.210 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.421 -1.640 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.952 -1.783 0.072 1.00 0.00 H new 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 0 H THR A 5 3.324 -4.568 1.379 1.00 0.00 H new ATOM 0 HA THR A 5 4.808 -3.330 3.555 1.00 0.00 H new ATOM 0 HB THR A 5 5.003 -5.547 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.260 -7.049 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.850 -5.393 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.591 -3.796 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.227 -4.322 4.632 1.00 0.00 H new 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 0 H GLU A 6 5.216 -6.726 2.520 1.00 0.00 H new ATOM 0 HA GLU A 6 7.867 -6.053 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.043 -6.267 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.210 -7.807 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.043 -8.933 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.678 -7.523 2.045 1.00 0.00 H new 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 0 HA PRO A 7 6.717 -9.966 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.053 -10.959 -0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.571 -11.773 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.804 -10.649 2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.407 -11.291 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.549 -8.465 2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.023 -9.123 2.901 1.00 0.00 H new 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 0 H CYS A 8 5.868 -7.159 -0.982 1.00 0.00 H new ATOM 0 HA CYS A 8 4.081 -7.319 -3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.072 -5.982 -1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.609 -5.403 -1.070 1.00 0.00 H new 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 0 H ILE A 9 7.313 -6.343 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 9 8.170 -4.698 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 9 9.413 -6.391 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.346 -3.779 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.774 -3.509 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.640 -5.502 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.973 -6.563 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.947 -4.797 -4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.632 -3.413 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.692 -4.790 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.288 -5.064 0.047 1.00 0.00 H new 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 0 H GLY A 10 9.053 -5.087 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.864 -7.432 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.120 -7.608 -7.268 1.00 0.00 H new 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 0 H THR A 11 10.516 -5.003 -8.013 1.00 0.00 H new ATOM 0 HA THR A 11 10.214 -3.338 -9.586 1.00 0.00 H new ATOM 0 HB THR A 11 11.264 -5.744 -11.076 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.352 -4.331 -8.828 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.992 -4.141 -11.858 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.351 -3.596 -12.278 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.213 -2.851 -10.911 1.00 0.00 H new 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 0 H LYS A 12 8.165 -2.761 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 12 6.715 -1.791 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.662 -1.827 -12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.748 -3.081 -13.560 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.100 -1.026 -14.594 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.749 -1.507 -13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.975 0.828 -13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.655 0.087 -11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.962 0.296 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.124 1.427 -14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.175 2.573 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.490 2.703 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.353 1.623 -11.138 1.00 0.00 H new 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 0 H CYS A 13 5.711 -3.667 -9.546 1.00 0.00 H new ATOM 0 HA CYS A 13 3.981 -5.481 -10.878 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.474 -5.364 -8.465 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.655 -3.817 -8.381 1.00 0.00 H new 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 0 H ALA A 14 1.662 -5.125 -11.515 1.00 0.00 H new ATOM 0 HA ALA A 14 0.678 -2.358 -11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.060 -2.456 -13.840 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.827 -2.502 -13.632 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.937 -3.995 -14.016 1.00 0.00 H new 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 0 H SER A 15 -0.907 -3.093 -9.911 1.00 0.00 H new ATOM 0 HA SER A 15 -3.153 -4.443 -11.157 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.786 -5.645 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.406 -6.045 -9.274 1.00 0.00 H new ATOM 0 HG SER A 15 -1.610 -6.214 -11.340 1.00 0.00 H new 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 0 H CYS A 16 -1.808 -3.423 -7.863 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.274 -2.123 -7.125 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.028 -1.433 -5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.850 -3.151 -5.500 1.00 0.00 H new 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 0 H VAL A 17 -4.195 -0.998 -9.475 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.008 1.707 -9.106 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.097 0.125 -11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.725 2.005 -12.514 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.335 2.543 -11.980 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.910 2.853 -10.960 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.613 0.113 -11.463 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.732 0.845 -9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.378 -0.788 -10.133 1.00 0.00 H new 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 0 H GLU A 18 -5.120 0.458 -11.801 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.711 2.818 -11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.675 2.184 -13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.928 2.071 -13.612 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.386 -0.432 -12.858 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.604 0.126 -14.505 1.00 0.00 H new 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 0 H VAL A 19 -7.014 0.981 -9.157 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.890 0.323 -9.402 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.342 -1.595 -9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.189 -2.135 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.515 -0.697 -7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.578 -0.510 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.543 -2.715 -7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.108 -1.120 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.645 -1.760 -8.388 1.00 0.00 H new 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 0 H CYS A 20 -7.313 2.092 -7.520 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.871 2.079 -5.155 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.492 2.406 -5.158 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.661 3.884 -6.086 1.00 0.00 H new 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 0 HA PRO A 21 -12.119 4.948 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.957 5.367 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.390 5.111 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.377 3.044 -2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.007 2.742 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.123 3.020 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.791 1.972 -4.705 1.00 0.00 H new 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 0 H VAL A 22 -9.279 5.943 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.847 8.705 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.474 8.518 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.277 10.186 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.521 10.586 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.120 9.807 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.390 7.928 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.298 7.417 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.814 6.555 -2.095 1.00 0.00 H new 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 0 H ASP A 23 -8.019 6.526 -6.231 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.880 6.295 -6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.029 7.967 -8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.336 9.263 -7.422 1.00 0.00 H new 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 0 H CYS A 24 -5.274 6.001 -4.400 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.162 8.006 -3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.583 7.744 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.132 8.059 -2.262 1.00 0.00 H new ATOM 0 HG CYS A 24 -5.796 5.243 -2.326 1.00 0.00 H new 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 0 H ILE A 25 -2.952 5.689 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.012 3.971 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.415 2.753 -6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.866 2.440 -6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.171 3.884 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.046 1.272 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.668 1.818 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.246 2.625 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.172 4.393 -8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.825 5.228 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.515 3.761 -8.416 1.00 0.00 H new 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 0 H HIS A 26 1.109 4.508 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 26 1.765 6.157 -6.898 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.645 6.327 -3.957 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.216 7.376 -5.239 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.991 8.786 -6.498 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.548 7.168 -2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.117 9.836 -5.488 1.00 0.00 H new 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 0 H GLU A 27 3.965 5.681 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 27 4.942 3.146 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.662 5.011 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.713 3.671 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.839 2.074 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.740 3.398 -9.323 1.00 0.00 H new 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 0 H GLY A 28 6.794 2.701 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.669 4.890 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.471 3.369 -4.150 1.00 0.00 H new 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 0 H GLU A 29 8.545 4.137 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 29 9.459 3.369 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.568 3.929 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.883 2.255 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.245 4.698 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.109 3.174 -9.853 1.00 0.00 H new 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 0 H ASP A 30 10.339 0.943 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 30 10.159 -1.182 -8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.860 -1.169 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.607 -1.073 -5.756 1.00 0.00 H new 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 0 H GLN A 31 7.966 0.222 -6.310 1.00 0.00 H new ATOM 0 HA GLN A 31 5.982 -1.900 -6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.895 -2.163 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.294 -2.892 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.769 -1.445 -4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.722 -0.058 -4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.425 -0.892 -2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.855 -0.867 -1.121 1.00 0.00 H new 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 0 H TYR A 32 3.845 -1.208 -5.978 1.00 0.00 H new ATOM 0 HA TYR A 32 3.579 1.666 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.721 -0.688 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.161 0.898 -5.281 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.761 -0.956 -8.140 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.722 2.613 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.872 -0.046 -10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.631 3.409 -9.206 1.00 0.00 H new ATOM 0 HH TYR A 32 2.662 2.589 -11.436 1.00 0.00 H new 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 0 H TYR A 33 2.527 2.760 -4.098 1.00 0.00 H new ATOM 0 HA TYR A 33 3.079 1.902 -1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.199 4.144 -2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.654 4.534 -1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.748 3.561 0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.178 2.742 -3.336 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.582 2.181 1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.197 1.657 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 33 8.466 0.091 -0.311 1.00 0.00 H new 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 0 H ILE A 34 1.009 2.073 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.034 3.771 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.924 1.714 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.627 1.783 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.026 1.070 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.354 2.117 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.398 3.558 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.263 3.486 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.757 -0.652 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.740 -0.502 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.366 0.222 -0.102 1.00 0.00 H new 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 0 H ASP A 35 -1.402 6.009 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 35 0.019 6.717 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.721 8.394 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.352 8.223 0.486 1.00 0.00 H new 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 0 HA PRO A 36 -3.400 4.639 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.496 5.155 6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.879 3.811 5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.620 6.553 5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.167 4.987 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.180 6.608 3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.157 4.863 3.594 1.00 0.00 H new 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 0 H ASP A 37 -2.117 7.986 4.315 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.355 8.763 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.165 10.410 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.202 10.866 6.075 1.00 0.00 H new 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 0 H VAL A 38 -3.758 8.563 2.496 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.194 10.181 2.097 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.282 8.972 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.378 10.545 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.538 9.373 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.508 11.044 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.484 11.333 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.555 11.848 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.195 10.750 1.471 1.00 0.00 H new 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 0 H CYS A 39 -5.065 6.707 1.976 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.255 5.678 0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.365 4.330 1.123 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.511 4.644 2.841 1.00 0.00 H new 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 0 H ILE A 40 -9.431 5.348 1.055 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.407 6.387 3.621 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.596 6.279 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -11.006 5.726 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.729 4.427 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -12.059 8.204 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.247 8.343 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.327 7.825 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.232 5.144 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.969 5.485 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.235 6.804 -0.376 1.00 0.00 H new 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 0 H ASP A 41 -9.029 3.836 3.860 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.303 1.743 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.174 3.433 6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.348 1.698 6.318 1.00 0.00 H new 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 0 H CYS A 42 -10.150 1.595 2.019 1.00 0.00 H new ATOM 0 HA CYS A 42 -12.623 -0.067 2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -13.043 0.504 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -12.012 1.877 0.475 1.00 0.00 H new 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 0 H GLY A 43 -11.991 -1.948 0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.611 -3.329 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.175 -4.113 1.250 1.00 0.00 H new 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 0 H ALA A 44 -10.464 -1.990 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.998 -4.234 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.844 -2.475 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.921 -1.985 -3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.274 -1.319 -3.826 1.00 0.00 H new 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 0 H CYS A 45 -8.172 -1.984 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.498 -3.095 -4.745 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.757 -1.967 -3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.158 -0.957 -3.818 1.00 0.00 H new 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 0 H GLU A 46 -6.745 -4.167 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.799 -6.148 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.739 -5.550 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.362 -5.958 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.516 -7.647 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.798 -8.340 0.113 1.00 0.00 H new 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 0 H ALA A 47 -8.415 -6.440 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.309 -9.146 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.455 -8.658 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.375 -7.919 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.141 -6.914 -3.788 1.00 0.00 H new 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 0 H VAL A 48 -7.477 -6.198 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.253 -7.693 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.807 -4.901 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.116 -4.174 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.920 -5.252 -7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.001 -5.875 -8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.497 -4.463 -8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.456 -6.193 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.098 -5.671 -6.915 1.00 0.00 H new 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 0 H CYS A 49 -4.876 -6.740 -4.602 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.590 -7.299 -6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.647 -6.151 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.041 -7.672 -3.210 1.00 0.00 H new 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 0 HA PRO A 50 -3.765 -11.630 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.980 -12.417 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.231 -11.269 -8.905 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.329 -10.675 -8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.220 -10.035 -9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.028 -8.615 -7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.471 -8.525 -8.130 1.00 0.00 H new 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 0 H VAL A 51 -1.893 -10.757 -4.358 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.486 -13.320 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 51 1.400 -12.349 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.991 -10.321 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.074 -11.535 -5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.259 -10.073 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.750 -10.051 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.006 -9.780 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.641 -11.047 -1.537 1.00 0.00 H new 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 0 H SER A 52 -2.578 -10.672 -2.797 1.00 0.00 H new ATOM 0 HA SER A 52 -3.517 -10.143 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.088 -13.021 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.223 -11.881 0.632 1.00 0.00 H new ATOM 0 HG SER A 52 -5.215 -13.235 -0.979 1.00 0.00 H new 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 0 H ALA A 53 -2.191 -8.561 0.022 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.319 -9.402 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.616 -8.213 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.083 -9.624 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.625 -7.984 -0.514 1.00 0.00 H new 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 0 H ILE A 54 -2.285 -6.913 0.435 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.207 -4.720 2.018 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.765 -4.925 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.984 -4.240 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.965 -5.607 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.460 -2.466 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.578 -3.017 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.992 -2.598 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.053 -3.815 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.659 -4.063 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.663 -2.674 -1.515 1.00 0.00 H new 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 0 H TYR A 55 -1.650 -4.612 4.265 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.303 -5.623 5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.550 -5.929 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.019 -6.097 7.299 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.873 -7.751 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.611 -7.977 5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.176 -9.575 4.461 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.916 -10.041 4.242 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.472 -10.208 2.282 1.00 0.00 H new 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 0 H HIS A 56 -4.971 -4.616 7.291 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.917 -1.824 7.070 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.482 -3.439 8.383 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.291 -3.317 9.663 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -5.854 -1.401 11.334 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.194 -0.731 7.397 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.891 0.938 11.293 1.00 0.00 H new 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 0 H GLU A 57 -3.646 -0.189 8.133 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.965 -0.767 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.910 1.495 9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.953 1.421 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.883 1.083 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.730 1.681 10.946 1.00 0.00 H new 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 0 H ASP A 58 -3.657 -0.738 10.991 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.032 -1.222 13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.452 -0.587 13.257 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.877 -2.153 12.595 1.00 0.00 H new 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 0 H PHE A 59 -3.263 -3.454 10.672 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.899 -5.789 12.317 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.576 -5.251 9.407 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.492 -6.862 10.091 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.938 -4.842 12.627 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.801 -6.694 8.837 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.371 -4.573 13.045 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.233 -6.435 9.262 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.020 -5.346 11.355 1.00 0.00 H new 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 0 H VAL A 60 -1.065 -4.086 9.678 1.00 0.00 H new ATOM 0 HA VAL A 60 0.749 -6.124 9.062 1.00 0.00 H new ATOM 0 HB VAL A 60 0.941 -3.102 9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.025 -3.344 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.192 -4.063 9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.949 -5.111 8.072 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.799 -3.389 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.709 -5.154 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.610 -4.119 7.510 1.00 0.00 H new 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 0 HA PRO A 61 2.641 -6.873 13.038 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.896 -7.942 11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.133 -8.713 12.672 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.478 -9.514 10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.229 -9.420 11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.844 -7.460 9.162 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.282 -7.927 9.806 1.00 0.00 H new 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 0 H GLU A 62 4.152 -5.945 14.372 1.00 0.00 H new ATOM 0 HA GLU A 62 5.278 -3.490 14.031 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.679 -6.032 15.645 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.779 -4.692 15.899 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.853 -4.686 17.505 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.957 -3.213 16.561 1.00 0.00 H new 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 0 H GLU A 63 7.100 -6.560 13.240 1.00 0.00 H new ATOM 0 HA GLU A 63 9.461 -5.376 12.512 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.949 -7.525 10.973 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.682 -7.267 10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.675 -8.929 12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.308 -7.622 13.643 1.00 0.00 H new 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 0 H TRP A 64 6.379 -5.478 10.660 1.00 0.00 H new ATOM 0 HA TRP A 64 7.555 -3.924 8.460 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.121 -5.714 8.796 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.408 -4.745 7.364 1.00 0.00 H new ATOM 0 HD1 TRP A 64 8.739 -5.755 7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 64 9.357 -7.894 6.571 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.026 -7.603 6.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 8.021 -10.107 5.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.751 -9.647 5.605 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.740 -10.846 4.723 1.00 0.00 H new 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 0 H LYS A 65 5.707 -3.238 11.344 1.00 0.00 H new ATOM 0 HA LYS A 65 4.038 -1.170 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.761 -1.707 12.860 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.829 -0.230 12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.646 -3.033 12.670 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.722 -2.003 14.086 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.424 -0.292 12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.983 -1.758 11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.467 -1.169 14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.267 -1.172 13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.052 -3.230 14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.193 -3.614 13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.541 -3.408 14.676 1.00 0.00 H new 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 0 H SER A 66 7.649 -1.372 10.653 1.00 0.00 H new ATOM 0 HA SER A 66 8.446 1.187 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.448 -1.158 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.369 0.104 9.293 1.00 0.00 H new ATOM 0 HG SER A 66 9.476 -2.314 10.295 1.00 0.00 H new 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 0 H TYR A 67 6.972 -1.104 7.647 1.00 0.00 H new ATOM 0 HA TYR A 67 7.287 0.783 5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.410 -1.572 5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.427 -0.578 4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.631 -0.377 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.961 -3.359 6.195 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.521 -1.716 2.268 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.863 -4.687 5.308 1.00 0.00 H new ATOM 0 HH TYR A 67 10.382 -4.897 3.654 1.00 0.00 H new 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 0 H ILE A 68 4.619 0.351 8.102 1.00 0.00 H new ATOM 0 HA ILE A 68 2.692 1.995 6.756 1.00 0.00 H new ATOM 0 HB ILE A 68 3.280 1.060 9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.191 -0.145 9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.790 0.715 7.809 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.174 2.131 10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.410 3.322 9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.050 2.973 8.728 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.539 -1.568 7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.680 -0.381 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.087 -1.254 8.136 1.00 0.00 H new 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 0 H GLN A 69 5.337 2.679 9.208 1.00 0.00 H new ATOM 0 HA GLN A 69 5.005 5.460 9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.422 3.960 10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.604 3.927 9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.282 5.660 10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.692 6.456 9.511 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.748 7.699 9.584 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.959 8.097 11.113 1.00 0.00 H new 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 0 H LYS A 70 6.953 3.399 6.882 1.00 0.00 H new ATOM 0 HA LYS A 70 8.032 5.655 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.884 3.283 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.505 2.855 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.371 3.223 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.251 4.552 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.942 5.544 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.038 4.588 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.050 6.783 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.113 5.784 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.592 7.367 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.237 6.739 3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.301 8.052 3.297 1.00 0.00 H new 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 0 H ASN A 71 5.106 3.657 4.850 1.00 0.00 H new ATOM 0 HA ASN A 71 4.332 4.962 2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.998 3.289 4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.998 4.134 3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.325 0.915 2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.662 1.745 3.759 1.00 0.00 H new 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 0 H ARG A 72 3.528 5.752 6.001 1.00 0.00 H new ATOM 0 HA ARG A 72 1.819 7.951 5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.566 6.607 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.016 7.592 7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.960 9.279 8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.680 9.320 7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.827 7.161 9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.971 8.670 9.926 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.063 7.813 7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.722 5.459 9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.902 4.765 10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.340 7.161 7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.579 5.698 8.894 1.00 0.00 H new 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 0 H ASP A 73 5.352 7.757 6.023 1.00 0.00 H new ATOM 0 HA ASP A 73 5.941 10.486 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.291 8.715 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.380 7.808 5.546 1.00 0.00 H new 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 0 H PHE A 74 6.022 8.044 3.295 1.00 0.00 H new ATOM 0 HA PHE A 74 7.414 9.280 1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.162 7.451 1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.031 8.481 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.961 8.581 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.610 5.557 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.502 7.104 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.431 4.260 0.400 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.330 4.997 -1.795 1.00 0.00 H new 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 0 H PHE A 75 3.990 10.166 2.232 1.00 0.00 H new ATOM 0 HA PHE A 75 4.133 12.338 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.674 11.190 1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.800 12.067 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.113 10.927 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.773 8.807 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.646 8.763 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.169 6.644 0.426 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.181 6.625 -1.844 1.00 0.00 H new 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 0 H LYS A 76 3.886 11.706 3.751 1.00 0.00 H new ATOM 0 HA LYS A 76 3.184 14.478 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.931 12.036 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.253 13.593 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.150 13.337 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.691 14.027 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.927 11.034 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.491 11.880 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.242 12.329 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.378 12.397 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.384 10.420 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.514 9.951 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.142 9.977 4.686 1.00 0.00 H new 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 0 H LYS A 77 4.897 15.452 2.757 1.00 0.00 H new ATOM 0 HA LYS A 77 7.569 15.650 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.339 13.413 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.191 14.420 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.485 13.741 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.395 15.461 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.955 14.447 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.562 15.025 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.796 12.122 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.563 12.710 4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.660 12.280 5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.009 13.631 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.834 12.082 4.264 1.00 0.00 H new 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 END