USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) HEADER TRANSCRIPTION 29-AUG-00 1FP0 TITLE SOLUTION STRUCTURE OF THE PHD DOMAIN FROM THE KAP-1 TITLE 2 COREPRESSOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: KAP-1 COREPRESSOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PHD DOMAIN; COMPND 5 SYNONYM: TRANSCRIPTION INTERMEDIARY FACTOR 1-BETA, NUCLEAR COMPND 6 COREPRESSOR, KAP-1, KRAB-ASSOCIATED PROTEIN 1; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PQE50 KEYWDS PHD DOMAIN, C3HC4 TYPE ZINC BINDING DOMAIN, NMR-STRUCTURE, KEYWDS 2 TRANSCRIPTION EXPDTA SOLUTION NMR AUTHOR A.D.CAPILI,D.C.SCHULTZ,F.J.RAUSCHER III,K.L.B.BORDEN REVDAT 3 24-FEB-09 1FP0 1 VERSN REVDAT 2 01-APR-03 1FP0 1 JRNL REVDAT 1 24-JAN-01 1FP0 0 JRNL AUTH A.D.CAPILI,D.C.SCHULTZ,F.J.RAUSCHERIII,K.L.BORDEN JRNL TITL SOLUTION STRUCTURE OF THE PHD DOMAIN FROM THE JRNL TITL 2 KAP-1 COREPRESSOR: STRUCTURAL DETERMINANTS FOR JRNL TITL 3 PHD, RING AND LIM ZINC-BINDING DOMAINS. JRNL REF EMBO J. V. 20 165 2001 JRNL REFN ISSN 0261-4189 JRNL PMID 11226167 JRNL DOI 10.1093/EMBOJ/20.1.165 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FP0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-SEP-00. REMARK 100 THE RCSB ID CODE IS RCSB011783. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.50 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.5-3.0 MM 15N-LABELLED OR REMARK 210 UNLABELLED KAP-1 PHD, 20 MM REMARK 210 NAH2PO4, 500 MM NACL, 5 MM REMARK 210 DTT, PH 7.5; 1.5-3.0 MM REMARK 210 UNLABELLED KAP-1 PHD, 20 MM REMARK 210 NAH2PO4, 500 MM NACL, 5 MM REMARK 210 DTT, PH 7.5 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: FIRST 17 RESIDUES (MRGSHHHHHHGSDIIDE) AND LAST 9 REMARK 210 RESIDUES (VDLQACKLN) DO NOT BELONG TO THE NATURAL PROTEIN REMARK 210 MOLECULE, RESIDUES 618 TO 679 CORRESPONDS TO KAP-1, STRUCTURED REMARK 210 REGION CORRESPONDS TO RESIDUES 627-670 WHICH CONTAIN THE PHD REMARK 210 DOMAIN 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 SER A 4 30.42 -163.05 REMARK 500 HIS A 8 175.68 55.89 REMARK 500 HIS A 9 -143.53 -146.37 REMARK 500 HIS A 10 -82.44 -41.93 REMARK 500 ASP A 13 -50.47 178.08 REMARK 500 ILE A 14 -24.91 80.02 REMARK 500 ILE A 15 121.06 57.47 REMARK 500 THR A 20 34.63 38.56 REMARK 500 LEU A 21 -71.38 -139.57 REMARK 500 ASP A 22 -150.67 -81.86 REMARK 500 ASP A 23 19.81 55.51 REMARK 500 SER A 24 178.38 178.03 REMARK 500 ALA A 25 -135.38 70.64 REMARK 500 THR A 26 170.30 -39.89 REMARK 500 CYS A 31 -41.12 -160.21 REMARK 500 LYS A 33 -66.55 -140.88 REMARK 500 ASP A 36 104.18 44.28 REMARK 500 LEU A 37 105.86 -168.35 REMARK 500 ASN A 41 5.58 -69.34 REMARK 500 CYS A 43 -84.51 -153.92 REMARK 500 GLU A 44 33.37 -175.95 REMARK 500 PHE A 47 -157.40 -139.06 REMARK 500 LEU A 49 9.08 -69.49 REMARK 500 HIS A 52 -87.31 -88.79 REMARK 500 PRO A 54 63.90 -63.22 REMARK 500 ALA A 55 42.52 177.18 REMARK 500 GLU A 62 -108.90 58.73 REMARK 500 GLU A 63 -151.36 -99.66 REMARK 500 TRP A 64 -102.24 -74.91 REMARK 500 SER A 65 37.42 172.62 REMARK 500 CYS A 66 163.62 57.50 REMARK 500 SER A 67 -141.70 -135.06 REMARK 500 VAL A 71 52.71 -111.23 REMARK 500 CYS A 85 -144.70 -59.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 2 0.28 SIDE_CHAIN REMARK 500 ARG A 29 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 89 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 40 SG REMARK 620 2 CYS A 43 SG 106.4 REMARK 620 3 CYS A 66 SG 111.0 110.2 REMARK 620 4 CYS A 69 SG 109.5 109.1 110.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 90 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 28 SG REMARK 620 2 CYS A 31 SG 112.0 REMARK 620 3 CYS A 51 SG 110.9 108.6 REMARK 620 4 HIS A 48 ND1 109.9 108.3 107.0 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 89 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 90 DBREF 1FP0 A 19 79 UNP Q13263 TIF1B_HUMAN 619 679 SEQADV 1FP0 MET A 1 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 ARG A 2 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 GLY A 3 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 SER A 4 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 HIS A 5 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 HIS A 6 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 HIS A 7 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 HIS A 8 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 HIS A 9 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 HIS A 10 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 GLY A 11 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 SER A 12 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 ASP A 13 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 ILE A 14 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 ILE A 15 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 ASP A 16 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 GLU A 17 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 PHE A 18 UNP Q13263 EXPRESSION TAG SEQADV 1FP0 VAL A 80 UNP Q13263 CLONING ARTIFACT SEQADV 1FP0 ASP A 81 UNP Q13263 CLONING ARTIFACT SEQADV 1FP0 LEU A 82 UNP Q13263 CLONING ARTIFACT SEQADV 1FP0 GLN A 83 UNP Q13263 CLONING ARTIFACT SEQADV 1FP0 ALA A 84 UNP Q13263 CLONING ARTIFACT SEQADV 1FP0 CYS A 85 UNP Q13263 CLONING ARTIFACT SEQADV 1FP0 LYS A 86 UNP Q13263 CLONING ARTIFACT SEQADV 1FP0 LEU A 87 UNP Q13263 CLONING ARTIFACT SEQADV 1FP0 ASN A 88 UNP Q13263 CLONING ARTIFACT SEQRES 1 A 88 MET ARG GLY SER HIS HIS HIS HIS HIS HIS GLY SER ASP SEQRES 2 A 88 ILE ILE ASP GLU PHE GLY THR LEU ASP ASP SER ALA THR SEQRES 3 A 88 ILE CYS ARG VAL CYS GLN LYS PRO GLY ASP LEU VAL MET SEQRES 4 A 88 CYS ASN GLN CYS GLU PHE CYS PHE HIS LEU ASP CYS HIS SEQRES 5 A 88 LEU PRO ALA LEU GLN ASP VAL PRO GLY GLU GLU TRP SER SEQRES 6 A 88 CYS SER LEU CYS HIS VAL LEU PRO ASP LEU LYS GLU GLU SEQRES 7 A 88 ASP VAL ASP LEU GLN ALA CYS LYS LEU ASN HET ZN A 89 1 HET ZN A 90 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) SHEET 1 A 3 VAL A 38 CYS A 40 0 SHEET 2 A 3 PHE A 45 PHE A 47 -1 N PHE A 47 O VAL A 38 SHEET 3 A 3 TRP A 64 SER A 67 0 LINK ZN ZN A 89 SG CYS A 40 1555 1555 2.28 LINK ZN ZN A 89 SG CYS A 43 1555 1555 2.30 LINK ZN ZN A 89 SG CYS A 66 1555 1555 2.32 LINK ZN ZN A 89 SG CYS A 69 1555 1555 2.30 LINK ZN ZN A 90 SG CYS A 28 1555 1555 2.34 LINK ZN ZN A 90 SG CYS A 31 1555 1555 2.31 LINK ZN ZN A 90 SG CYS A 51 1555 1555 2.29 LINK ZN ZN A 90 ND1 HIS A 48 1555 1555 1.98 SITE *** AC1 5 CYS A 40 GLN A 42 CYS A 43 CYS A 66 SITE *** AC1 5 CYS A 69 SITE *** AC2 6 CYS A 28 VAL A 30 CYS A 31 PHE A 47 SITE *** AC2 6 HIS A 48 CYS A 51 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 8 HIS : no HD1:sc= -0.525 K(o=-0.53,f=-1.9) USER MOD Set 1.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -5! K(o=-5!,f=-3.1) USER MOD Single : A 7 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.3) USER MOD Single : A 9 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.35) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -51:sc= 0.371 USER MOD Single : A 24 SER OG : rot -65:sc= 0.826 USER MOD Single : A 26 THR OG1 : rot 179:sc= 1.38 USER MOD Single : A 32 GLN : amide:sc= -0.322 K(o=-0.32,f=-0.86) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -2.79 (180deg=-3.06!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0734 X(o=-0.073,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0493 K(o=-0.049,f=0.53) USER MOD Single : A 46 CYS SG : rot -12:sc= -1.36! USER MOD Single : A 48 HIS : no HD1:sc= -24.8! C(o=-25!,f=-23!) USER MOD Single : A 52 HIS : no HE2:sc= -19.8! C(o=-20!,f=-20!) USER MOD Single : A 57 GLN : amide:sc= -3.39! C(o=-3.4!,f=-5.2!) USER MOD Single : A 65 SER OG : rot -62:sc= 1.15 USER MOD Single : A 67 SER OG : rot 180:sc= -1.03! USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 CYS SG : rot 180:sc= 0.0832 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.554 K(o=-0.55,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.548 11.146 6.141 1.00 0.00 N ATOM 2 CA MET A 1 30.454 9.709 6.531 1.00 0.00 C ATOM 3 C MET A 1 31.736 8.969 6.137 1.00 0.00 C ATOM 4 O MET A 1 32.464 8.480 6.978 1.00 0.00 O ATOM 5 CB MET A 1 29.255 9.162 5.753 1.00 0.00 C ATOM 6 CG MET A 1 29.037 7.692 6.120 1.00 0.00 C ATOM 7 SD MET A 1 27.343 7.209 5.707 1.00 0.00 S ATOM 8 CE MET A 1 26.654 7.361 7.372 1.00 0.00 C ATOM 0 H1 MET A 1 29.673 11.638 6.413 1.00 0.00 H new ATOM 0 H2 MET A 1 31.357 11.585 6.625 1.00 0.00 H new ATOM 0 H3 MET A 1 30.680 11.219 5.112 1.00 0.00 H new ATOM 0 HA MET A 1 30.332 9.581 7.607 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.362 9.742 5.985 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.428 9.259 4.681 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.747 7.063 5.582 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.220 7.541 7.184 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.595 7.104 7.352 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.179 6.684 8.046 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.772 8.386 7.723 1.00 0.00 H new ATOM 20 N ARG A 2 32.020 8.886 4.866 1.00 0.00 N ATOM 21 CA ARG A 2 33.257 8.180 4.423 1.00 0.00 C ATOM 22 C ARG A 2 34.194 9.160 3.709 1.00 0.00 C ATOM 23 O ARG A 2 33.972 10.354 3.708 1.00 0.00 O ATOM 24 CB ARG A 2 32.770 7.094 3.460 1.00 0.00 C ATOM 25 CG ARG A 2 31.640 6.299 4.119 1.00 0.00 C ATOM 26 CD ARG A 2 31.817 4.809 3.819 1.00 0.00 C ATOM 27 NE ARG A 2 32.682 4.296 4.917 1.00 0.00 N ATOM 28 CZ ARG A 2 33.387 3.213 4.738 1.00 0.00 C ATOM 29 NH1 ARG A 2 34.314 3.184 3.820 1.00 0.00 N ATOM 30 NH2 ARG A 2 33.166 2.161 5.477 1.00 0.00 N ATOM 0 H ARG A 2 31.450 9.276 4.115 1.00 0.00 H new ATOM 0 HA ARG A 2 33.817 7.758 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 2 32.418 7.546 2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 2 33.593 6.429 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 2 31.644 6.466 5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 2 30.675 6.643 3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 2 30.857 4.293 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 2 32.282 4.655 2.845 1.00 0.00 H new ATOM 0 HE ARG A 2 32.723 4.791 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 2 34.487 4.007 3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 2 34.866 2.338 3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 2 32.442 2.185 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 2 33.717 1.314 5.337 1.00 0.00 H new ATOM 44 N GLY A 3 35.240 8.667 3.105 1.00 0.00 N ATOM 45 CA GLY A 3 36.186 9.576 2.397 1.00 0.00 C ATOM 46 C GLY A 3 37.028 8.769 1.408 1.00 0.00 C ATOM 47 O GLY A 3 37.065 9.057 0.229 1.00 0.00 O ATOM 0 H GLY A 3 35.481 7.676 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 3 35.633 10.354 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 3 36.833 10.077 3.117 1.00 0.00 H new ATOM 51 N SER A 4 37.705 7.758 1.879 1.00 0.00 N ATOM 52 CA SER A 4 38.544 6.933 0.963 1.00 0.00 C ATOM 53 C SER A 4 38.892 5.598 1.625 1.00 0.00 C ATOM 54 O SER A 4 39.931 5.019 1.373 1.00 0.00 O ATOM 55 CB SER A 4 39.803 7.764 0.728 1.00 0.00 C ATOM 56 OG SER A 4 40.338 7.453 -0.552 1.00 0.00 O ATOM 0 H SER A 4 37.714 7.467 2.857 1.00 0.00 H new ATOM 0 HA SER A 4 38.032 6.698 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 4 39.568 8.827 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 4 40.540 7.556 1.504 1.00 0.00 H new ATOM 0 HG SER A 4 41.146 7.986 -0.707 1.00 0.00 H new ATOM 62 N HIS A 5 38.029 5.105 2.468 1.00 0.00 N ATOM 63 CA HIS A 5 38.305 3.806 3.144 1.00 0.00 C ATOM 64 C HIS A 5 37.596 2.668 2.405 1.00 0.00 C ATOM 65 O HIS A 5 37.654 1.523 2.807 1.00 0.00 O ATOM 66 CB HIS A 5 37.734 3.967 4.553 1.00 0.00 C ATOM 67 CG HIS A 5 38.860 4.033 5.549 1.00 0.00 C ATOM 68 ND1 HIS A 5 38.993 5.082 6.447 1.00 0.00 N ATOM 69 CD2 HIS A 5 39.910 3.187 5.803 1.00 0.00 C ATOM 70 CE1 HIS A 5 40.086 4.841 7.192 1.00 0.00 C ATOM 71 NE2 HIS A 5 40.684 3.699 6.841 1.00 0.00 N ATOM 0 H HIS A 5 37.144 5.545 2.719 1.00 0.00 H new ATOM 0 HA HIS A 5 39.367 3.563 3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 5 37.131 4.873 4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 5 37.076 3.130 4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 5 40.106 2.264 5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 5 40.438 5.492 7.979 1.00 0.00 H new ATOM 0 HE2 HIS A 5 41.526 3.290 7.246 1.00 0.00 H new ATOM 79 N HIS A 6 36.921 2.976 1.331 1.00 0.00 N ATOM 80 CA HIS A 6 36.202 1.911 0.572 1.00 0.00 C ATOM 81 C HIS A 6 36.593 1.944 -0.910 1.00 0.00 C ATOM 82 O HIS A 6 36.444 0.970 -1.621 1.00 0.00 O ATOM 83 CB HIS A 6 34.719 2.245 0.735 1.00 0.00 C ATOM 84 CG HIS A 6 34.054 1.186 1.569 1.00 0.00 C ATOM 85 ND1 HIS A 6 34.465 -0.138 1.550 1.00 0.00 N ATOM 86 CD2 HIS A 6 33.005 1.241 2.454 1.00 0.00 C ATOM 87 CE1 HIS A 6 33.674 -0.820 2.397 1.00 0.00 C ATOM 88 NE2 HIS A 6 32.767 -0.027 2.975 1.00 0.00 N ATOM 0 H HIS A 6 36.836 3.917 0.946 1.00 0.00 H new ATOM 0 HA HIS A 6 36.446 0.914 0.939 1.00 0.00 H new ATOM 0 HB2 HIS A 6 34.605 3.220 1.208 1.00 0.00 H new ATOM 0 HB3 HIS A 6 34.240 2.307 -0.242 1.00 0.00 H new ATOM 0 HD2 HIS A 6 32.450 2.132 2.707 1.00 0.00 H new ATOM 0 HE1 HIS A 6 33.761 -1.880 2.587 1.00 0.00 H new ATOM 0 HE2 HIS A 6 32.053 -0.294 3.653 1.00 0.00 H new ATOM 96 N HIS A 7 37.085 3.055 -1.384 1.00 0.00 N ATOM 97 CA HIS A 7 37.475 3.139 -2.820 1.00 0.00 C ATOM 98 C HIS A 7 36.266 2.828 -3.708 1.00 0.00 C ATOM 99 O HIS A 7 36.395 2.252 -4.769 1.00 0.00 O ATOM 100 CB HIS A 7 38.559 2.076 -2.999 1.00 0.00 C ATOM 101 CG HIS A 7 39.594 2.573 -3.971 1.00 0.00 C ATOM 102 ND1 HIS A 7 39.303 3.517 -4.944 1.00 0.00 N ATOM 103 CD2 HIS A 7 40.922 2.266 -4.135 1.00 0.00 C ATOM 104 CE1 HIS A 7 40.431 3.742 -5.642 1.00 0.00 C ATOM 105 NE2 HIS A 7 41.448 3.004 -5.190 1.00 0.00 N ATOM 0 H HIS A 7 37.234 3.906 -0.841 1.00 0.00 H new ATOM 0 HA HIS A 7 37.830 4.131 -3.097 1.00 0.00 H new ATOM 0 HB2 HIS A 7 39.024 1.851 -2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 7 38.117 1.149 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 7 41.475 1.558 -3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 7 40.505 4.435 -6.467 1.00 0.00 H new ATOM 0 HE2 HIS A 7 42.405 2.986 -5.543 1.00 0.00 H new ATOM 113 N HIS A 8 35.093 3.206 -3.279 1.00 0.00 N ATOM 114 CA HIS A 8 33.875 2.934 -4.096 1.00 0.00 C ATOM 115 C HIS A 8 33.758 1.438 -4.400 1.00 0.00 C ATOM 116 O HIS A 8 34.623 0.655 -4.062 1.00 0.00 O ATOM 117 CB HIS A 8 34.077 3.728 -5.386 1.00 0.00 C ATOM 118 CG HIS A 8 34.212 5.188 -5.058 1.00 0.00 C ATOM 119 ND1 HIS A 8 35.397 5.732 -4.590 1.00 0.00 N ATOM 120 CD2 HIS A 8 33.320 6.229 -5.121 1.00 0.00 C ATOM 121 CE1 HIS A 8 35.188 7.046 -4.391 1.00 0.00 C ATOM 122 NE2 HIS A 8 33.938 7.402 -4.699 1.00 0.00 N ATOM 0 H HIS A 8 34.925 3.692 -2.398 1.00 0.00 H new ATOM 0 HA HIS A 8 32.961 3.222 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS A 8 34.968 3.377 -5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 8 33.233 3.572 -6.058 1.00 0.00 H new ATOM 0 HD2 HIS A 8 32.294 6.150 -5.448 1.00 0.00 H new ATOM 0 HE1 HIS A 8 35.940 7.730 -4.026 1.00 0.00 H new ATOM 0 HE2 HIS A 8 33.526 8.333 -4.638 1.00 0.00 H new ATOM 130 N HIS A 9 32.691 1.039 -5.036 1.00 0.00 N ATOM 131 CA HIS A 9 32.509 -0.404 -5.366 1.00 0.00 C ATOM 132 C HIS A 9 31.767 -0.543 -6.702 1.00 0.00 C ATOM 133 O HIS A 9 31.971 0.234 -7.613 1.00 0.00 O ATOM 134 CB HIS A 9 31.678 -0.966 -4.208 1.00 0.00 C ATOM 135 CG HIS A 9 30.421 -0.154 -4.055 1.00 0.00 C ATOM 136 ND1 HIS A 9 30.283 0.810 -3.070 1.00 0.00 N ATOM 137 CD2 HIS A 9 29.240 -0.146 -4.755 1.00 0.00 C ATOM 138 CE1 HIS A 9 29.060 1.354 -3.202 1.00 0.00 C ATOM 139 NE2 HIS A 9 28.382 0.807 -4.215 1.00 0.00 N ATOM 0 H HIS A 9 31.935 1.651 -5.342 1.00 0.00 H new ATOM 0 HA HIS A 9 33.453 -0.937 -5.477 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.429 -2.010 -4.398 1.00 0.00 H new ATOM 0 HB3 HIS A 9 32.256 -0.939 -3.284 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.012 -0.783 -5.597 1.00 0.00 H new ATOM 0 HE1 HIS A 9 28.673 2.137 -2.567 1.00 0.00 H new ATOM 0 HE2 HIS A 9 27.438 1.038 -4.526 1.00 0.00 H new ATOM 147 N HIS A 10 30.912 -1.524 -6.829 1.00 0.00 N ATOM 148 CA HIS A 10 30.166 -1.704 -8.109 1.00 0.00 C ATOM 149 C HIS A 10 29.698 -0.350 -8.647 1.00 0.00 C ATOM 150 O HIS A 10 30.327 0.241 -9.502 1.00 0.00 O ATOM 151 CB HIS A 10 28.964 -2.578 -7.748 1.00 0.00 C ATOM 152 CG HIS A 10 29.349 -4.029 -7.836 1.00 0.00 C ATOM 153 ND1 HIS A 10 29.152 -4.777 -8.986 1.00 0.00 N ATOM 154 CD2 HIS A 10 29.915 -4.884 -6.924 1.00 0.00 C ATOM 155 CE1 HIS A 10 29.592 -6.024 -8.738 1.00 0.00 C ATOM 156 NE2 HIS A 10 30.068 -6.144 -7.495 1.00 0.00 N ATOM 0 H HIS A 10 30.698 -2.207 -6.103 1.00 0.00 H new ATOM 0 HA HIS A 10 30.784 -2.157 -8.884 1.00 0.00 H new ATOM 0 HB2 HIS A 10 28.621 -2.343 -6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 10 28.135 -2.370 -8.424 1.00 0.00 H new ATOM 0 HD2 HIS A 10 30.199 -4.619 -5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 10 29.564 -6.830 -9.456 1.00 0.00 H new ATOM 0 HE2 HIS A 10 30.459 -6.979 -7.059 1.00 0.00 H new ATOM 164 N GLY A 11 28.597 0.147 -8.153 1.00 0.00 N ATOM 165 CA GLY A 11 28.090 1.462 -8.638 1.00 0.00 C ATOM 166 C GLY A 11 28.524 2.566 -7.673 1.00 0.00 C ATOM 167 O GLY A 11 29.163 2.313 -6.672 1.00 0.00 O ATOM 0 H GLY A 11 28.027 -0.300 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 11 28.475 1.666 -9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 11 27.003 1.438 -8.714 1.00 0.00 H new ATOM 171 N SER A 12 28.182 3.791 -7.966 1.00 0.00 N ATOM 172 CA SER A 12 28.577 4.910 -7.062 1.00 0.00 C ATOM 173 C SER A 12 27.355 5.764 -6.712 1.00 0.00 C ATOM 174 O SER A 12 27.022 6.702 -7.407 1.00 0.00 O ATOM 175 CB SER A 12 29.592 5.726 -7.862 1.00 0.00 C ATOM 176 OG SER A 12 30.129 6.748 -7.033 1.00 0.00 O ATOM 0 H SER A 12 27.647 4.066 -8.790 1.00 0.00 H new ATOM 0 HA SER A 12 28.994 4.553 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 12 30.391 5.079 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 12 29.114 6.165 -8.738 1.00 0.00 H new ATOM 0 HG SER A 12 30.782 7.273 -7.542 1.00 0.00 H new ATOM 182 N ASP A 13 26.686 5.445 -5.638 1.00 0.00 N ATOM 183 CA ASP A 13 25.485 6.237 -5.242 1.00 0.00 C ATOM 184 C ASP A 13 24.853 5.637 -3.981 1.00 0.00 C ATOM 185 O ASP A 13 24.589 6.333 -3.021 1.00 0.00 O ATOM 186 CB ASP A 13 24.524 6.131 -6.428 1.00 0.00 C ATOM 187 CG ASP A 13 24.479 4.685 -6.925 1.00 0.00 C ATOM 188 OD1 ASP A 13 23.818 3.882 -6.288 1.00 0.00 O ATOM 189 OD2 ASP A 13 25.106 4.405 -7.933 1.00 0.00 O ATOM 0 H ASP A 13 26.918 4.670 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 13 25.731 7.274 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 13 23.527 6.455 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 13 24.848 6.792 -7.232 1.00 0.00 H new ATOM 194 N ILE A 14 24.613 4.348 -3.987 1.00 0.00 N ATOM 195 CA ILE A 14 24.001 3.662 -2.799 1.00 0.00 C ATOM 196 C ILE A 14 22.476 3.866 -2.760 1.00 0.00 C ATOM 197 O ILE A 14 21.759 3.067 -2.192 1.00 0.00 O ATOM 198 CB ILE A 14 24.701 4.261 -1.561 1.00 0.00 C ATOM 199 CG1 ILE A 14 25.066 3.130 -0.597 1.00 0.00 C ATOM 200 CG2 ILE A 14 23.789 5.262 -0.838 1.00 0.00 C ATOM 201 CD1 ILE A 14 26.524 3.282 -0.161 1.00 0.00 C ATOM 0 H ILE A 14 24.817 3.732 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 14 24.144 2.582 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 14 25.597 4.787 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.411 3.154 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 14 24.919 2.164 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.309 5.667 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.529 6.074 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 14 22.880 4.757 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 14 26.784 2.477 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 14 27.172 3.236 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 14 26.656 4.242 0.339 1.00 0.00 H new ATOM 213 N ILE A 15 21.975 4.917 -3.357 1.00 0.00 N ATOM 214 CA ILE A 15 20.499 5.152 -3.350 1.00 0.00 C ATOM 215 C ILE A 15 19.968 5.224 -1.913 1.00 0.00 C ATOM 216 O ILE A 15 20.099 4.295 -1.142 1.00 0.00 O ATOM 217 CB ILE A 15 19.904 3.953 -4.092 1.00 0.00 C ATOM 218 CG1 ILE A 15 20.081 4.155 -5.599 1.00 0.00 C ATOM 219 CG2 ILE A 15 18.412 3.830 -3.771 1.00 0.00 C ATOM 220 CD1 ILE A 15 19.875 2.824 -6.322 1.00 0.00 C ATOM 0 H ILE A 15 22.524 5.622 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 15 20.232 6.097 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 15 20.416 3.044 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 15 19.366 4.893 -5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 15 21.077 4.545 -5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.995 2.975 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 15 18.281 3.690 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 15 17.896 4.738 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 15 20.001 2.969 -7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 15 20.607 2.099 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 15 18.870 2.453 -6.122 1.00 0.00 H new ATOM 232 N ASP A 16 19.363 6.323 -1.551 1.00 0.00 N ATOM 233 CA ASP A 16 18.821 6.455 -0.167 1.00 0.00 C ATOM 234 C ASP A 16 17.477 5.728 -0.051 1.00 0.00 C ATOM 235 O ASP A 16 16.986 5.153 -1.002 1.00 0.00 O ATOM 236 CB ASP A 16 18.638 7.958 0.047 1.00 0.00 C ATOM 237 CG ASP A 16 19.949 8.564 0.550 1.00 0.00 C ATOM 238 OD1 ASP A 16 20.940 7.852 0.565 1.00 0.00 O ATOM 239 OD2 ASP A 16 19.941 9.729 0.913 1.00 0.00 O ATOM 0 H ASP A 16 19.220 7.134 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 16 19.484 6.015 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 16 18.339 8.435 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 16 17.841 8.139 0.768 1.00 0.00 H new ATOM 244 N GLU A 17 16.881 5.751 1.110 1.00 0.00 N ATOM 245 CA GLU A 17 15.572 5.062 1.293 1.00 0.00 C ATOM 246 C GLU A 17 14.585 5.496 0.207 1.00 0.00 C ATOM 247 O GLU A 17 14.397 6.671 -0.042 1.00 0.00 O ATOM 248 CB GLU A 17 15.081 5.508 2.670 1.00 0.00 C ATOM 249 CG GLU A 17 15.128 7.035 2.761 1.00 0.00 C ATOM 250 CD GLU A 17 16.216 7.455 3.751 1.00 0.00 C ATOM 251 OE1 GLU A 17 16.033 7.226 4.935 1.00 0.00 O ATOM 252 OE2 GLU A 17 17.214 8.000 3.309 1.00 0.00 O ATOM 0 H GLU A 17 17.245 6.218 1.941 1.00 0.00 H new ATOM 0 HA GLU A 17 15.664 3.978 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.063 5.155 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.703 5.068 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.331 7.462 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.161 7.421 3.083 1.00 0.00 H new ATOM 259 N PHE A 18 13.950 4.556 -0.440 1.00 0.00 N ATOM 260 CA PHE A 18 12.972 4.916 -1.507 1.00 0.00 C ATOM 261 C PHE A 18 11.592 4.345 -1.172 1.00 0.00 C ATOM 262 O PHE A 18 11.473 3.294 -0.573 1.00 0.00 O ATOM 263 CB PHE A 18 13.521 4.280 -2.784 1.00 0.00 C ATOM 264 CG PHE A 18 12.737 4.782 -3.974 1.00 0.00 C ATOM 265 CD1 PHE A 18 13.019 6.042 -4.513 1.00 0.00 C ATOM 266 CD2 PHE A 18 11.729 3.989 -4.536 1.00 0.00 C ATOM 267 CE1 PHE A 18 12.294 6.511 -5.615 1.00 0.00 C ATOM 268 CE2 PHE A 18 11.003 4.458 -5.639 1.00 0.00 C ATOM 269 CZ PHE A 18 11.285 5.719 -6.178 1.00 0.00 C ATOM 0 H PHE A 18 14.066 3.556 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 18 12.853 5.995 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.577 4.526 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.452 3.194 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 18 13.796 6.653 -4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.511 3.017 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.513 7.483 -6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.226 3.847 -6.073 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.725 6.081 -7.027 1.00 0.00 H new ATOM 279 N GLY A 19 10.549 5.030 -1.552 1.00 0.00 N ATOM 280 CA GLY A 19 9.178 4.529 -1.254 1.00 0.00 C ATOM 281 C GLY A 19 8.383 5.619 -0.535 1.00 0.00 C ATOM 282 O GLY A 19 7.302 5.983 -0.951 1.00 0.00 O ATOM 0 H GLY A 19 10.587 5.916 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.674 4.246 -2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.233 3.635 -0.634 1.00 0.00 H new ATOM 286 N THR A 20 8.916 6.140 0.539 1.00 0.00 N ATOM 287 CA THR A 20 8.206 7.213 1.295 1.00 0.00 C ATOM 288 C THR A 20 6.702 6.940 1.336 1.00 0.00 C ATOM 289 O THR A 20 5.898 7.849 1.304 1.00 0.00 O ATOM 290 CB THR A 20 8.497 8.504 0.525 1.00 0.00 C ATOM 291 OG1 THR A 20 8.063 9.617 1.292 1.00 0.00 O ATOM 292 CG2 THR A 20 7.756 8.488 -0.814 1.00 0.00 C ATOM 0 H THR A 20 9.819 5.866 0.927 1.00 0.00 H new ATOM 0 HA THR A 20 8.541 7.270 2.331 1.00 0.00 H new ATOM 0 HB THR A 20 9.569 8.580 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.136 9.476 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.967 9.409 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.089 7.634 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.684 8.409 -0.635 1.00 0.00 H new ATOM 300 N LEU A 21 6.313 5.697 1.403 1.00 0.00 N ATOM 301 CA LEU A 21 4.857 5.382 1.441 1.00 0.00 C ATOM 302 C LEU A 21 4.576 4.248 2.432 1.00 0.00 C ATOM 303 O LEU A 21 4.006 4.458 3.485 1.00 0.00 O ATOM 304 CB LEU A 21 4.513 4.948 0.017 1.00 0.00 C ATOM 305 CG LEU A 21 3.341 5.781 -0.503 1.00 0.00 C ATOM 306 CD1 LEU A 21 3.593 6.162 -1.962 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.055 4.958 -0.407 1.00 0.00 C ATOM 0 H LEU A 21 6.936 4.890 1.433 1.00 0.00 H new ATOM 0 HA LEU A 21 4.261 6.234 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.379 5.075 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.255 3.889 0.001 1.00 0.00 H new ATOM 0 HG LEU A 21 3.242 6.686 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.757 6.756 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.512 6.745 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.690 5.258 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.217 5.548 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.156 4.054 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.875 4.684 0.633 1.00 0.00 H new ATOM 319 N ASP A 22 4.963 3.046 2.102 1.00 0.00 N ATOM 320 CA ASP A 22 4.709 1.901 3.023 1.00 0.00 C ATOM 321 C ASP A 22 5.779 1.844 4.117 1.00 0.00 C ATOM 322 O ASP A 22 6.333 2.851 4.512 1.00 0.00 O ATOM 323 CB ASP A 22 4.781 0.657 2.138 1.00 0.00 C ATOM 324 CG ASP A 22 3.849 0.829 0.937 1.00 0.00 C ATOM 325 OD1 ASP A 22 2.653 0.940 1.150 1.00 0.00 O ATOM 326 OD2 ASP A 22 4.349 0.848 -0.177 1.00 0.00 O ATOM 0 H ASP A 22 5.444 2.807 1.235 1.00 0.00 H new ATOM 0 HA ASP A 22 3.748 1.988 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.804 0.499 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.495 -0.226 2.710 1.00 0.00 H new ATOM 331 N ASP A 23 6.067 0.672 4.611 1.00 0.00 N ATOM 332 CA ASP A 23 7.095 0.543 5.684 1.00 0.00 C ATOM 333 C ASP A 23 6.736 1.441 6.867 1.00 0.00 C ATOM 334 O ASP A 23 7.571 1.774 7.684 1.00 0.00 O ATOM 335 CB ASP A 23 8.408 0.997 5.045 1.00 0.00 C ATOM 336 CG ASP A 23 8.846 -0.020 3.990 1.00 0.00 C ATOM 337 OD1 ASP A 23 7.980 -0.587 3.345 1.00 0.00 O ATOM 338 OD2 ASP A 23 10.042 -0.214 3.845 1.00 0.00 O ATOM 0 H ASP A 23 5.635 -0.204 4.318 1.00 0.00 H new ATOM 0 HA ASP A 23 7.164 -0.476 6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.281 1.978 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.179 1.099 5.808 1.00 0.00 H new ATOM 343 N SER A 24 5.498 1.830 6.960 1.00 0.00 N ATOM 344 CA SER A 24 5.069 2.708 8.087 1.00 0.00 C ATOM 345 C SER A 24 3.587 3.062 7.944 1.00 0.00 C ATOM 346 O SER A 24 2.939 2.677 6.992 1.00 0.00 O ATOM 347 CB SER A 24 5.930 3.966 7.958 1.00 0.00 C ATOM 348 OG SER A 24 5.775 4.507 6.653 1.00 0.00 O ATOM 0 H SER A 24 4.760 1.578 6.303 1.00 0.00 H new ATOM 0 HA SER A 24 5.192 2.225 9.056 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.635 4.701 8.707 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.977 3.725 8.143 1.00 0.00 H new ATOM 0 HG SER A 24 6.138 3.879 5.993 1.00 0.00 H new ATOM 354 N ALA A 25 3.049 3.803 8.876 1.00 0.00 N ATOM 355 CA ALA A 25 1.611 4.194 8.788 1.00 0.00 C ATOM 356 C ALA A 25 0.699 2.986 9.033 1.00 0.00 C ATOM 357 O ALA A 25 0.899 2.220 9.955 1.00 0.00 O ATOM 358 CB ALA A 25 1.438 4.736 7.366 1.00 0.00 C ATOM 0 H ALA A 25 3.544 4.155 9.696 1.00 0.00 H new ATOM 0 HA ALA A 25 1.340 4.933 9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.404 5.047 7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.098 5.591 7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.689 3.957 6.647 1.00 0.00 H new ATOM 364 N THR A 26 -0.314 2.835 8.226 1.00 0.00 N ATOM 365 CA THR A 26 -1.275 1.705 8.393 1.00 0.00 C ATOM 366 C THR A 26 -0.572 0.398 8.773 1.00 0.00 C ATOM 367 O THR A 26 0.637 0.282 8.742 1.00 0.00 O ATOM 368 CB THR A 26 -1.947 1.565 7.028 1.00 0.00 C ATOM 369 OG1 THR A 26 -0.969 1.242 6.049 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.626 2.883 6.656 1.00 0.00 C ATOM 0 H THR A 26 -0.521 3.457 7.444 1.00 0.00 H new ATOM 0 HA THR A 26 -1.981 1.905 9.199 1.00 0.00 H new ATOM 0 HB THR A 26 -2.694 0.772 7.070 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.402 1.136 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.105 2.783 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.377 3.130 7.407 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.881 3.677 6.614 1.00 0.00 H new ATOM 378 N ILE A 27 -1.348 -0.588 9.129 1.00 0.00 N ATOM 379 CA ILE A 27 -0.782 -1.913 9.524 1.00 0.00 C ATOM 380 C ILE A 27 -1.477 -3.032 8.741 1.00 0.00 C ATOM 381 O ILE A 27 -2.542 -2.831 8.200 1.00 0.00 O ATOM 382 CB ILE A 27 -1.099 -2.047 11.011 1.00 0.00 C ATOM 383 CG1 ILE A 27 -2.505 -1.494 11.302 1.00 0.00 C ATOM 384 CG2 ILE A 27 -0.052 -1.288 11.831 1.00 0.00 C ATOM 385 CD1 ILE A 27 -2.458 0.028 11.475 1.00 0.00 C ATOM 0 H ILE A 27 -2.366 -0.533 9.164 1.00 0.00 H new ATOM 0 HA ILE A 27 0.286 -1.984 9.320 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.074 -3.100 11.290 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.180 -1.752 10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.904 -1.956 12.205 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.281 -1.385 12.892 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.936 -1.703 11.633 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.065 -0.234 11.552 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.461 0.402 11.680 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.800 0.280 12.307 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.080 0.487 10.561 1.00 0.00 H new ATOM 397 N CYS A 28 -0.900 -4.213 8.673 1.00 0.00 N ATOM 398 CA CYS A 28 -1.570 -5.311 7.909 1.00 0.00 C ATOM 399 C CYS A 28 -2.838 -5.782 8.622 1.00 0.00 C ATOM 400 O CYS A 28 -3.839 -6.071 7.997 1.00 0.00 O ATOM 401 CB CYS A 28 -0.565 -6.454 7.862 1.00 0.00 C ATOM 402 SG CYS A 28 -1.339 -7.887 7.077 1.00 0.00 S ATOM 0 H CYS A 28 -0.010 -4.458 9.106 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.862 -4.970 6.916 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.322 -6.153 7.305 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.237 -6.708 8.870 1.00 0.00 H new ATOM 407 N ARG A 29 -2.793 -5.884 9.923 1.00 0.00 N ATOM 408 CA ARG A 29 -3.986 -6.360 10.685 1.00 0.00 C ATOM 409 C ARG A 29 -4.217 -7.852 10.423 1.00 0.00 C ATOM 410 O ARG A 29 -5.188 -8.425 10.876 1.00 0.00 O ATOM 411 CB ARG A 29 -5.165 -5.534 10.163 1.00 0.00 C ATOM 412 CG ARG A 29 -6.319 -5.604 11.165 1.00 0.00 C ATOM 413 CD ARG A 29 -6.570 -4.216 11.753 1.00 0.00 C ATOM 414 NE ARG A 29 -6.926 -3.366 10.584 1.00 0.00 N ATOM 415 CZ ARG A 29 -6.943 -2.068 10.703 1.00 0.00 C ATOM 416 NH1 ARG A 29 -8.036 -1.462 11.076 1.00 0.00 N ATOM 417 NH2 ARG A 29 -5.867 -1.376 10.449 1.00 0.00 N ATOM 0 H ARG A 29 -1.979 -5.658 10.494 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.858 -6.238 11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.860 -4.498 10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.488 -5.913 9.193 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.220 -5.970 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.081 -6.310 11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.376 -4.237 12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.685 -3.836 12.263 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.157 -3.799 9.690 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.877 -2.004 11.275 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.050 -0.446 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.013 -1.850 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.880 -0.360 10.542 1.00 0.00 H new ATOM 431 N VAL A 30 -3.339 -8.487 9.693 1.00 0.00 N ATOM 432 CA VAL A 30 -3.531 -9.941 9.412 1.00 0.00 C ATOM 433 C VAL A 30 -2.274 -10.753 9.752 1.00 0.00 C ATOM 434 O VAL A 30 -2.340 -11.956 9.907 1.00 0.00 O ATOM 435 CB VAL A 30 -3.872 -10.020 7.906 1.00 0.00 C ATOM 436 CG1 VAL A 30 -2.648 -10.428 7.062 1.00 0.00 C ATOM 437 CG2 VAL A 30 -4.983 -11.050 7.702 1.00 0.00 C ATOM 0 H VAL A 30 -2.505 -8.068 9.282 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.323 -10.369 10.026 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.193 -9.031 7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.930 -10.472 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.854 -9.694 7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.294 -11.407 7.384 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.231 -11.113 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.645 -12.025 8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.867 -10.748 8.264 1.00 0.00 H new ATOM 447 N CYS A 31 -1.125 -10.131 9.845 1.00 0.00 N ATOM 448 CA CYS A 31 0.094 -10.932 10.143 1.00 0.00 C ATOM 449 C CYS A 31 1.251 -10.074 10.697 1.00 0.00 C ATOM 450 O CYS A 31 1.960 -10.490 11.593 1.00 0.00 O ATOM 451 CB CYS A 31 0.461 -11.552 8.786 1.00 0.00 C ATOM 452 SG CYS A 31 1.489 -10.406 7.822 1.00 0.00 S ATOM 0 H CYS A 31 -0.982 -9.128 9.730 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.088 -11.673 10.921 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.997 -12.489 8.940 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.446 -11.791 8.231 1.00 0.00 H new ATOM 457 N GLN A 32 1.473 -8.901 10.160 1.00 0.00 N ATOM 458 CA GLN A 32 2.601 -8.063 10.644 1.00 0.00 C ATOM 459 C GLN A 32 2.261 -6.583 10.495 1.00 0.00 C ATOM 460 O GLN A 32 1.361 -6.195 9.779 1.00 0.00 O ATOM 461 CB GLN A 32 3.780 -8.436 9.744 1.00 0.00 C ATOM 462 CG GLN A 32 4.790 -9.269 10.537 1.00 0.00 C ATOM 463 CD GLN A 32 4.627 -10.748 10.176 1.00 0.00 C ATOM 464 OE1 GLN A 32 4.335 -11.564 11.028 1.00 0.00 O ATOM 465 NE2 GLN A 32 4.806 -11.129 8.941 1.00 0.00 N ATOM 0 H GLN A 32 0.919 -8.491 9.408 1.00 0.00 H new ATOM 0 HA GLN A 32 2.821 -8.232 11.698 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.427 -9.000 8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.258 -7.534 9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.805 -8.939 10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.636 -9.126 11.606 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.051 -10.444 8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.701 -12.112 8.690 1.00 0.00 H new ATOM 474 N LYS A 33 2.962 -5.748 11.179 1.00 0.00 N ATOM 475 CA LYS A 33 2.650 -4.303 11.088 1.00 0.00 C ATOM 476 C LYS A 33 3.931 -3.445 11.076 1.00 0.00 C ATOM 477 O LYS A 33 4.224 -2.819 10.077 1.00 0.00 O ATOM 478 CB LYS A 33 1.771 -4.055 12.316 1.00 0.00 C ATOM 479 CG LYS A 33 0.392 -4.671 12.074 1.00 0.00 C ATOM 480 CD LYS A 33 0.356 -6.086 12.654 1.00 0.00 C ATOM 481 CE LYS A 33 -0.589 -6.957 11.823 1.00 0.00 C ATOM 482 NZ LYS A 33 -0.413 -8.333 12.366 1.00 0.00 N ATOM 0 H LYS A 33 3.735 -5.995 11.796 1.00 0.00 H new ATOM 0 HA LYS A 33 2.145 -4.025 10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.229 -4.494 13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.678 -2.985 12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.379 -4.056 12.539 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.177 -4.699 11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.358 -6.516 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.022 -6.056 13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.622 -6.623 11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.337 -6.915 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.865 -9.019 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.601 -8.548 12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.853 -8.394 13.306 1.00 0.00 H new ATOM 496 N PRO A 34 4.663 -3.430 12.166 1.00 0.00 N ATOM 497 CA PRO A 34 5.912 -2.623 12.215 1.00 0.00 C ATOM 498 C PRO A 34 7.023 -3.269 11.379 1.00 0.00 C ATOM 499 O PRO A 34 8.132 -3.439 11.847 1.00 0.00 O ATOM 500 CB PRO A 34 6.291 -2.641 13.692 1.00 0.00 C ATOM 501 CG PRO A 34 5.669 -3.887 14.231 1.00 0.00 C ATOM 502 CD PRO A 34 4.418 -4.130 13.433 1.00 0.00 C ATOM 0 HA PRO A 34 5.774 -1.619 11.813 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.373 -2.651 13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.916 -1.757 14.207 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.354 -4.730 14.142 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.436 -3.776 15.290 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.247 -5.195 13.274 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.537 -3.738 13.942 1.00 0.00 H new ATOM 510 N GLY A 35 6.753 -3.626 10.150 1.00 0.00 N ATOM 511 CA GLY A 35 7.825 -4.247 9.321 1.00 0.00 C ATOM 512 C GLY A 35 7.225 -5.022 8.142 1.00 0.00 C ATOM 513 O GLY A 35 6.343 -5.842 8.304 1.00 0.00 O ATOM 0 H GLY A 35 5.849 -3.516 9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.497 -3.473 8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.423 -4.919 9.937 1.00 0.00 H new ATOM 517 N ASP A 36 7.722 -4.777 6.958 1.00 0.00 N ATOM 518 CA ASP A 36 7.223 -5.498 5.745 1.00 0.00 C ATOM 519 C ASP A 36 5.690 -5.586 5.719 1.00 0.00 C ATOM 520 O ASP A 36 5.093 -6.383 6.414 1.00 0.00 O ATOM 521 CB ASP A 36 7.832 -6.898 5.850 1.00 0.00 C ATOM 522 CG ASP A 36 9.358 -6.791 5.881 1.00 0.00 C ATOM 523 OD1 ASP A 36 9.851 -5.686 6.031 1.00 0.00 O ATOM 524 OD2 ASP A 36 10.007 -7.816 5.753 1.00 0.00 O ATOM 0 H ASP A 36 8.462 -4.099 6.776 1.00 0.00 H new ATOM 0 HA ASP A 36 7.506 -4.978 4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.474 -7.395 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.517 -7.507 5.003 1.00 0.00 H new ATOM 529 N LEU A 37 5.052 -4.787 4.902 1.00 0.00 N ATOM 530 CA LEU A 37 3.568 -4.837 4.805 1.00 0.00 C ATOM 531 C LEU A 37 3.099 -4.025 3.590 1.00 0.00 C ATOM 532 O LEU A 37 3.110 -2.809 3.600 1.00 0.00 O ATOM 533 CB LEU A 37 3.070 -4.217 6.113 1.00 0.00 C ATOM 534 CG LEU A 37 1.538 -4.063 6.120 1.00 0.00 C ATOM 535 CD1 LEU A 37 1.161 -2.654 5.675 1.00 0.00 C ATOM 536 CD2 LEU A 37 0.860 -5.083 5.194 1.00 0.00 C ATOM 0 H LEU A 37 5.501 -4.100 4.296 1.00 0.00 H new ATOM 0 HA LEU A 37 3.185 -5.849 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.377 -4.841 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.535 -3.241 6.254 1.00 0.00 H new ATOM 0 HG LEU A 37 1.192 -4.244 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.076 -2.549 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.600 -1.927 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.537 -2.478 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.220 -4.942 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.214 -4.939 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.104 -6.093 5.524 1.00 0.00 H new ATOM 548 N VAL A 38 2.686 -4.691 2.543 1.00 0.00 N ATOM 549 CA VAL A 38 2.216 -3.966 1.323 1.00 0.00 C ATOM 550 C VAL A 38 0.707 -3.687 1.431 1.00 0.00 C ATOM 551 O VAL A 38 -0.080 -4.562 1.730 1.00 0.00 O ATOM 552 CB VAL A 38 2.555 -4.900 0.148 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.964 -5.464 0.339 1.00 0.00 C ATOM 554 CG2 VAL A 38 1.559 -6.055 0.069 1.00 0.00 C ATOM 0 H VAL A 38 2.654 -5.709 2.479 1.00 0.00 H new ATOM 0 HA VAL A 38 2.692 -2.994 1.192 1.00 0.00 H new ATOM 0 HB VAL A 38 2.501 -4.327 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.207 -6.126 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.682 -4.645 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.008 -6.023 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.818 -6.702 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.593 -6.629 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.554 -5.659 -0.076 1.00 0.00 H new ATOM 564 N MET A 39 0.311 -2.455 1.232 1.00 0.00 N ATOM 565 CA MET A 39 -1.135 -2.085 1.371 1.00 0.00 C ATOM 566 C MET A 39 -1.885 -2.136 0.032 1.00 0.00 C ATOM 567 O MET A 39 -1.297 -2.241 -1.026 1.00 0.00 O ATOM 568 CB MET A 39 -1.097 -0.649 1.894 1.00 0.00 C ATOM 569 CG MET A 39 -2.445 -0.284 2.513 1.00 0.00 C ATOM 570 SD MET A 39 -2.349 1.382 3.218 1.00 0.00 S ATOM 571 CE MET A 39 -3.092 2.266 1.824 1.00 0.00 C ATOM 0 H MET A 39 0.929 -1.684 0.978 1.00 0.00 H new ATOM 0 HA MET A 39 -1.662 -2.779 2.026 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.306 -0.544 2.637 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.863 0.037 1.080 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.229 -0.327 1.757 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.710 -1.004 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.132 3.332 2.049 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.490 2.106 0.929 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.102 1.893 1.653 1.00 0.00 H new ATOM 581 N CYS A 40 -3.193 -2.047 0.089 1.00 0.00 N ATOM 582 CA CYS A 40 -4.020 -2.072 -1.155 1.00 0.00 C ATOM 583 C CYS A 40 -4.293 -0.614 -1.608 1.00 0.00 C ATOM 584 O CYS A 40 -5.087 0.113 -1.025 1.00 0.00 O ATOM 585 CB CYS A 40 -5.298 -2.849 -0.738 1.00 0.00 C ATOM 586 SG CYS A 40 -6.787 -1.848 -0.963 1.00 0.00 S ATOM 0 H CYS A 40 -3.726 -1.957 0.954 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.549 -2.555 -2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.379 -3.761 -1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.216 -3.152 0.306 1.00 0.00 H new ATOM 591 N ASN A 41 -3.621 -0.171 -2.632 1.00 0.00 N ATOM 592 CA ASN A 41 -3.816 1.235 -3.098 1.00 0.00 C ATOM 593 C ASN A 41 -5.198 1.450 -3.726 1.00 0.00 C ATOM 594 O ASN A 41 -5.474 2.507 -4.257 1.00 0.00 O ATOM 595 CB ASN A 41 -2.724 1.459 -4.144 1.00 0.00 C ATOM 596 CG ASN A 41 -2.056 2.814 -3.900 1.00 0.00 C ATOM 597 OD1 ASN A 41 -2.061 3.672 -4.760 1.00 0.00 O ATOM 598 ND2 ASN A 41 -1.479 3.044 -2.754 1.00 0.00 N ATOM 0 H ASN A 41 -2.946 -0.717 -3.167 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.756 1.933 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.983 0.661 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.153 1.428 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.032 3.944 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.475 2.324 -2.032 1.00 0.00 H new ATOM 605 N GLN A 42 -6.071 0.478 -3.695 1.00 0.00 N ATOM 606 CA GLN A 42 -7.406 0.693 -4.322 1.00 0.00 C ATOM 607 C GLN A 42 -8.492 0.939 -3.278 1.00 0.00 C ATOM 608 O GLN A 42 -9.587 1.351 -3.609 1.00 0.00 O ATOM 609 CB GLN A 42 -7.687 -0.606 -5.048 1.00 0.00 C ATOM 610 CG GLN A 42 -8.136 -0.317 -6.481 1.00 0.00 C ATOM 611 CD GLN A 42 -9.642 -0.550 -6.605 1.00 0.00 C ATOM 612 OE1 GLN A 42 -10.403 -0.159 -5.742 1.00 0.00 O ATOM 613 NE2 GLN A 42 -10.108 -1.175 -7.653 1.00 0.00 N ATOM 0 H GLN A 42 -5.922 -0.438 -3.271 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.405 1.568 -4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.792 -1.228 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.460 -1.167 -4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.894 0.712 -6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.600 -0.962 -7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.469 -1.503 -8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.111 -1.335 -7.747 1.00 0.00 H new ATOM 622 N CYS A 43 -8.228 0.685 -2.024 1.00 0.00 N ATOM 623 CA CYS A 43 -9.301 0.914 -1.003 1.00 0.00 C ATOM 624 C CYS A 43 -8.686 1.197 0.376 1.00 0.00 C ATOM 625 O CYS A 43 -8.521 2.338 0.761 1.00 0.00 O ATOM 626 CB CYS A 43 -10.197 -0.360 -0.959 1.00 0.00 C ATOM 627 SG CYS A 43 -10.081 -1.355 -2.483 1.00 0.00 S ATOM 0 H CYS A 43 -7.339 0.337 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.900 1.784 -1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.907 -0.974 -0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.234 -0.064 -0.801 1.00 0.00 H new ATOM 632 N GLU A 44 -8.349 0.182 1.131 1.00 0.00 N ATOM 633 CA GLU A 44 -7.755 0.427 2.478 1.00 0.00 C ATOM 634 C GLU A 44 -7.350 -0.896 3.134 1.00 0.00 C ATOM 635 O GLU A 44 -7.419 -1.048 4.337 1.00 0.00 O ATOM 636 CB GLU A 44 -8.865 1.101 3.284 1.00 0.00 C ATOM 637 CG GLU A 44 -10.035 0.130 3.447 1.00 0.00 C ATOM 638 CD GLU A 44 -11.355 0.884 3.277 1.00 0.00 C ATOM 639 OE1 GLU A 44 -11.430 2.015 3.726 1.00 0.00 O ATOM 640 OE2 GLU A 44 -12.269 0.316 2.701 1.00 0.00 O ATOM 0 H GLU A 44 -8.459 -0.799 0.874 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.856 1.041 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.488 1.402 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.198 2.007 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.963 -0.669 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.997 -0.340 4.430 1.00 0.00 H new ATOM 647 N PHE A 45 -6.928 -1.853 2.356 1.00 0.00 N ATOM 648 CA PHE A 45 -6.519 -3.161 2.944 1.00 0.00 C ATOM 649 C PHE A 45 -5.032 -3.127 3.294 1.00 0.00 C ATOM 650 O PHE A 45 -4.304 -2.253 2.869 1.00 0.00 O ATOM 651 CB PHE A 45 -6.789 -4.202 1.856 1.00 0.00 C ATOM 652 CG PHE A 45 -7.561 -5.364 2.442 1.00 0.00 C ATOM 653 CD1 PHE A 45 -6.883 -6.402 3.098 1.00 0.00 C ATOM 654 CD2 PHE A 45 -8.956 -5.407 2.324 1.00 0.00 C ATOM 655 CE1 PHE A 45 -7.602 -7.477 3.635 1.00 0.00 C ATOM 656 CE2 PHE A 45 -9.674 -6.483 2.861 1.00 0.00 C ATOM 657 CZ PHE A 45 -8.996 -7.519 3.516 1.00 0.00 C ATOM 0 H PHE A 45 -6.848 -1.788 1.341 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.065 -3.390 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.355 -3.751 1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.848 -4.554 1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.807 -6.372 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.479 -4.609 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.080 -8.275 4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.750 -6.514 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.549 -8.350 3.929 1.00 0.00 H new ATOM 667 N CYS A 46 -4.576 -4.065 4.073 1.00 0.00 N ATOM 668 CA CYS A 46 -3.137 -4.080 4.454 1.00 0.00 C ATOM 669 C CYS A 46 -2.631 -5.517 4.579 1.00 0.00 C ATOM 670 O CYS A 46 -2.860 -6.185 5.567 1.00 0.00 O ATOM 671 CB CYS A 46 -3.077 -3.375 5.804 1.00 0.00 C ATOM 672 SG CYS A 46 -3.945 -1.790 5.707 1.00 0.00 S ATOM 0 H CYS A 46 -5.137 -4.822 4.463 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.512 -3.590 3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -3.530 -4.002 6.572 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.039 -3.214 6.095 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.189 -1.505 4.462 1.00 0.00 H new ATOM 678 N PHE A 47 -1.932 -5.988 3.587 1.00 0.00 N ATOM 679 CA PHE A 47 -1.387 -7.374 3.640 1.00 0.00 C ATOM 680 C PHE A 47 0.019 -7.367 3.078 1.00 0.00 C ATOM 681 O PHE A 47 0.651 -6.345 3.000 1.00 0.00 O ATOM 682 CB PHE A 47 -2.316 -8.221 2.751 1.00 0.00 C ATOM 683 CG PHE A 47 -2.489 -7.600 1.371 1.00 0.00 C ATOM 684 CD1 PHE A 47 -1.506 -6.765 0.794 1.00 0.00 C ATOM 685 CD2 PHE A 47 -3.680 -7.833 0.676 1.00 0.00 C ATOM 686 CE1 PHE A 47 -1.728 -6.181 -0.451 1.00 0.00 C ATOM 687 CE2 PHE A 47 -3.885 -7.257 -0.581 1.00 0.00 C ATOM 688 CZ PHE A 47 -2.913 -6.429 -1.147 1.00 0.00 C ATOM 0 H PHE A 47 -1.713 -5.471 2.736 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.345 -7.770 4.654 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.907 -9.226 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.290 -8.320 3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.581 -6.579 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.444 -8.460 1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.979 -5.532 -0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.801 -7.454 -1.118 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.077 -5.983 -2.117 1.00 0.00 H new ATOM 698 N HIS A 48 0.488 -8.479 2.628 1.00 0.00 N ATOM 699 CA HIS A 48 1.820 -8.521 1.994 1.00 0.00 C ATOM 700 C HIS A 48 1.697 -9.430 0.783 1.00 0.00 C ATOM 701 O HIS A 48 0.752 -10.189 0.673 1.00 0.00 O ATOM 702 CB HIS A 48 2.771 -9.164 2.981 1.00 0.00 C ATOM 703 CG HIS A 48 2.698 -8.540 4.349 1.00 0.00 C ATOM 704 ND1 HIS A 48 1.502 -8.349 5.011 1.00 0.00 N ATOM 705 CD2 HIS A 48 3.680 -8.188 5.242 1.00 0.00 C ATOM 706 CE1 HIS A 48 1.787 -7.928 6.254 1.00 0.00 C ATOM 707 NE2 HIS A 48 3.102 -7.803 6.445 1.00 0.00 N ATOM 0 H HIS A 48 0.001 -9.374 2.671 1.00 0.00 H new ATOM 0 HA HIS A 48 2.174 -7.530 1.711 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.544 -10.227 3.059 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.790 -9.083 2.603 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.741 -8.208 5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.043 -7.716 7.007 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.579 -7.492 7.291 1.00 0.00 H new ATOM 714 N LEU A 49 2.641 -9.417 -0.104 1.00 0.00 N ATOM 715 CA LEU A 49 2.538 -10.336 -1.267 1.00 0.00 C ATOM 716 C LEU A 49 2.727 -11.793 -0.808 1.00 0.00 C ATOM 717 O LEU A 49 2.846 -12.689 -1.615 1.00 0.00 O ATOM 718 CB LEU A 49 3.652 -9.909 -2.219 1.00 0.00 C ATOM 719 CG LEU A 49 3.039 -9.231 -3.447 1.00 0.00 C ATOM 720 CD1 LEU A 49 3.890 -8.021 -3.834 1.00 0.00 C ATOM 721 CD2 LEU A 49 3.004 -10.227 -4.608 1.00 0.00 C ATOM 0 H LEU A 49 3.469 -8.821 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 49 1.563 -10.285 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.334 -9.225 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.238 -10.776 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 49 2.025 -8.903 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.456 -7.536 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.918 -7.315 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.903 -8.348 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.568 -9.748 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.018 -10.553 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.401 -11.091 -4.328 1.00 0.00 H new ATOM 733 N ASP A 50 2.760 -12.046 0.481 1.00 0.00 N ATOM 734 CA ASP A 50 2.940 -13.446 0.954 1.00 0.00 C ATOM 735 C ASP A 50 1.943 -13.794 2.074 1.00 0.00 C ATOM 736 O ASP A 50 1.968 -14.890 2.600 1.00 0.00 O ATOM 737 CB ASP A 50 4.373 -13.503 1.484 1.00 0.00 C ATOM 738 CG ASP A 50 5.320 -12.848 0.476 1.00 0.00 C ATOM 739 OD1 ASP A 50 5.431 -13.365 -0.624 1.00 0.00 O ATOM 740 OD2 ASP A 50 5.918 -11.843 0.820 1.00 0.00 O ATOM 0 H ASP A 50 2.670 -11.345 1.216 1.00 0.00 H new ATOM 0 HA ASP A 50 2.761 -14.163 0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.437 -12.991 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.667 -14.539 1.655 1.00 0.00 H new ATOM 745 N CYS A 51 1.061 -12.896 2.456 1.00 0.00 N ATOM 746 CA CYS A 51 0.097 -13.258 3.545 1.00 0.00 C ATOM 747 C CYS A 51 -1.350 -13.132 3.054 1.00 0.00 C ATOM 748 O CYS A 51 -2.274 -12.945 3.822 1.00 0.00 O ATOM 749 CB CYS A 51 0.428 -12.324 4.721 1.00 0.00 C ATOM 750 SG CYS A 51 -0.744 -10.948 4.871 1.00 0.00 S ATOM 0 H CYS A 51 0.968 -11.955 2.073 1.00 0.00 H new ATOM 0 HA CYS A 51 0.192 -14.297 3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.428 -12.899 5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.435 -11.926 4.592 1.00 0.00 H new ATOM 755 N HIS A 52 -1.544 -13.286 1.777 1.00 0.00 N ATOM 756 CA HIS A 52 -2.913 -13.233 1.195 1.00 0.00 C ATOM 757 C HIS A 52 -3.470 -14.663 1.247 1.00 0.00 C ATOM 758 O HIS A 52 -4.072 -15.079 2.216 1.00 0.00 O ATOM 759 CB HIS A 52 -2.654 -12.755 -0.234 1.00 0.00 C ATOM 760 CG HIS A 52 -3.918 -12.706 -1.051 1.00 0.00 C ATOM 761 ND1 HIS A 52 -4.031 -13.347 -2.274 1.00 0.00 N ATOM 762 CD2 HIS A 52 -5.109 -12.062 -0.858 1.00 0.00 C ATOM 763 CE1 HIS A 52 -5.251 -13.077 -2.764 1.00 0.00 C ATOM 764 NE2 HIS A 52 -5.954 -12.297 -1.939 1.00 0.00 N ATOM 0 H HIS A 52 -0.799 -13.449 1.099 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.631 -12.586 1.699 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.201 -11.764 -0.208 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.937 -13.421 -0.715 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -3.316 -13.921 -2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.357 -11.461 0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.619 -13.446 -3.710 1.00 0.00 H new ATOM 772 N LEU A 53 -3.194 -15.428 0.237 1.00 0.00 N ATOM 773 CA LEU A 53 -3.598 -16.861 0.204 1.00 0.00 C ATOM 774 C LEU A 53 -2.561 -17.558 -0.672 1.00 0.00 C ATOM 775 O LEU A 53 -1.712 -16.888 -1.223 1.00 0.00 O ATOM 776 CB LEU A 53 -5.010 -16.922 -0.408 1.00 0.00 C ATOM 777 CG LEU A 53 -5.149 -15.931 -1.555 1.00 0.00 C ATOM 778 CD1 LEU A 53 -5.179 -16.686 -2.885 1.00 0.00 C ATOM 779 CD2 LEU A 53 -6.453 -15.150 -1.379 1.00 0.00 C ATOM 0 H LEU A 53 -2.691 -15.114 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.633 -17.341 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.211 -17.931 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.753 -16.703 0.359 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.303 -15.244 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.279 -15.975 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.254 -17.250 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.026 -17.372 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.563 -14.437 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.295 -15.842 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.431 -14.614 -0.430 1.00 0.00 H new ATOM 791 N PRO A 54 -2.628 -18.853 -0.791 1.00 0.00 N ATOM 792 CA PRO A 54 -1.640 -19.555 -1.645 1.00 0.00 C ATOM 793 C PRO A 54 -1.788 -19.104 -3.104 1.00 0.00 C ATOM 794 O PRO A 54 -2.122 -19.880 -3.976 1.00 0.00 O ATOM 795 CB PRO A 54 -1.986 -21.032 -1.450 1.00 0.00 C ATOM 796 CG PRO A 54 -3.412 -21.031 -1.006 1.00 0.00 C ATOM 797 CD PRO A 54 -3.586 -19.784 -0.181 1.00 0.00 C ATOM 0 HA PRO A 54 -0.602 -19.347 -1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.860 -21.594 -2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.339 -21.495 -0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.087 -21.031 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.639 -21.922 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.607 -19.405 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.364 -19.961 0.871 1.00 0.00 H new ATOM 805 N ALA A 55 -1.536 -17.841 -3.370 1.00 0.00 N ATOM 806 CA ALA A 55 -1.656 -17.326 -4.765 1.00 0.00 C ATOM 807 C ALA A 55 -1.384 -15.811 -4.834 1.00 0.00 C ATOM 808 O ALA A 55 -2.061 -15.087 -5.535 1.00 0.00 O ATOM 809 CB ALA A 55 -3.098 -17.626 -5.174 1.00 0.00 C ATOM 0 H ALA A 55 -1.253 -17.148 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.927 -17.795 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.268 -17.276 -6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.274 -18.701 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.782 -17.115 -4.496 1.00 0.00 H new ATOM 815 N LEU A 56 -0.384 -15.331 -4.139 1.00 0.00 N ATOM 816 CA LEU A 56 -0.059 -13.864 -4.204 1.00 0.00 C ATOM 817 C LEU A 56 1.428 -13.699 -4.550 1.00 0.00 C ATOM 818 O LEU A 56 2.217 -13.294 -3.724 1.00 0.00 O ATOM 819 CB LEU A 56 -0.334 -13.289 -2.791 1.00 0.00 C ATOM 820 CG LEU A 56 -1.195 -11.995 -2.835 1.00 0.00 C ATOM 821 CD1 LEU A 56 -0.752 -11.009 -1.742 1.00 0.00 C ATOM 822 CD2 LEU A 56 -1.065 -11.274 -4.169 1.00 0.00 C ATOM 0 H LEU A 56 0.221 -15.883 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.654 -13.350 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.844 -14.041 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.614 -13.075 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.227 -12.310 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.368 -10.111 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.867 -11.475 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.293 -10.741 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.682 -10.375 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.024 -10.997 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.396 -11.932 -4.972 1.00 0.00 H new ATOM 834 N GLN A 57 1.831 -14.027 -5.751 1.00 0.00 N ATOM 835 CA GLN A 57 3.284 -13.900 -6.098 1.00 0.00 C ATOM 836 C GLN A 57 3.500 -12.897 -7.235 1.00 0.00 C ATOM 837 O GLN A 57 4.576 -12.809 -7.792 1.00 0.00 O ATOM 838 CB GLN A 57 3.735 -15.298 -6.545 1.00 0.00 C ATOM 839 CG GLN A 57 2.941 -16.378 -5.803 1.00 0.00 C ATOM 840 CD GLN A 57 1.755 -16.816 -6.665 1.00 0.00 C ATOM 841 OE1 GLN A 57 1.472 -16.211 -7.680 1.00 0.00 O ATOM 842 NE2 GLN A 57 1.047 -17.848 -6.302 1.00 0.00 N ATOM 0 H GLN A 57 1.229 -14.373 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 57 3.854 -13.537 -5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.592 -15.407 -7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.800 -15.423 -6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.582 -17.232 -5.586 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.588 -15.993 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.285 -18.356 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.255 -18.148 -6.870 1.00 0.00 H new ATOM 851 N ASP A 58 2.502 -12.138 -7.585 1.00 0.00 N ATOM 852 CA ASP A 58 2.681 -11.147 -8.686 1.00 0.00 C ATOM 853 C ASP A 58 3.138 -9.805 -8.108 1.00 0.00 C ATOM 854 O ASP A 58 2.334 -9.001 -7.689 1.00 0.00 O ATOM 855 CB ASP A 58 1.301 -11.016 -9.332 1.00 0.00 C ATOM 856 CG ASP A 58 0.308 -10.464 -8.308 1.00 0.00 C ATOM 857 OD1 ASP A 58 0.522 -10.684 -7.127 1.00 0.00 O ATOM 858 OD2 ASP A 58 -0.650 -9.832 -8.723 1.00 0.00 O ATOM 0 H ASP A 58 1.574 -12.158 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 58 3.436 -11.458 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.354 -10.354 -10.196 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.964 -11.987 -9.694 1.00 0.00 H new ATOM 863 N VAL A 59 4.425 -9.567 -8.066 1.00 0.00 N ATOM 864 CA VAL A 59 4.939 -8.279 -7.502 1.00 0.00 C ATOM 865 C VAL A 59 5.119 -7.219 -8.599 1.00 0.00 C ATOM 866 O VAL A 59 6.095 -7.247 -9.323 1.00 0.00 O ATOM 867 CB VAL A 59 6.296 -8.633 -6.886 1.00 0.00 C ATOM 868 CG1 VAL A 59 6.107 -9.666 -5.776 1.00 0.00 C ATOM 869 CG2 VAL A 59 7.211 -9.218 -7.964 1.00 0.00 C ATOM 0 H VAL A 59 5.144 -10.210 -8.398 1.00 0.00 H new ATOM 0 HA VAL A 59 4.244 -7.856 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 59 6.745 -7.731 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.075 -9.914 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.457 -9.255 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.654 -10.567 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.176 -9.470 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.756 -10.117 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.354 -8.484 -8.757 1.00 0.00 H new ATOM 879 N PRO A 60 4.185 -6.302 -8.679 1.00 0.00 N ATOM 880 CA PRO A 60 4.276 -5.217 -9.686 1.00 0.00 C ATOM 881 C PRO A 60 5.300 -4.171 -9.236 1.00 0.00 C ATOM 882 O PRO A 60 5.969 -3.553 -10.039 1.00 0.00 O ATOM 883 CB PRO A 60 2.877 -4.613 -9.692 1.00 0.00 C ATOM 884 CG PRO A 60 2.317 -4.919 -8.339 1.00 0.00 C ATOM 885 CD PRO A 60 2.973 -6.188 -7.858 1.00 0.00 C ATOM 0 HA PRO A 60 4.591 -5.570 -10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.912 -3.538 -9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.263 -5.048 -10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.513 -4.099 -7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.235 -5.041 -8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.215 -6.133 -6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.319 -7.050 -7.992 1.00 0.00 H new ATOM 893 N GLY A 61 5.416 -3.969 -7.950 1.00 0.00 N ATOM 894 CA GLY A 61 6.384 -2.962 -7.432 1.00 0.00 C ATOM 895 C GLY A 61 5.808 -2.307 -6.175 1.00 0.00 C ATOM 896 O GLY A 61 4.613 -2.318 -5.952 1.00 0.00 O ATOM 0 H GLY A 61 4.880 -4.460 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.336 -3.440 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.582 -2.206 -8.192 1.00 0.00 H new ATOM 900 N GLU A 62 6.645 -1.738 -5.351 1.00 0.00 N ATOM 901 CA GLU A 62 6.143 -1.082 -4.108 1.00 0.00 C ATOM 902 C GLU A 62 5.385 -2.100 -3.240 1.00 0.00 C ATOM 903 O GLU A 62 5.977 -2.987 -2.659 1.00 0.00 O ATOM 904 CB GLU A 62 5.216 0.034 -4.597 1.00 0.00 C ATOM 905 CG GLU A 62 6.004 0.998 -5.487 1.00 0.00 C ATOM 906 CD GLU A 62 5.269 1.185 -6.816 1.00 0.00 C ATOM 907 OE1 GLU A 62 4.567 0.271 -7.216 1.00 0.00 O ATOM 908 OE2 GLU A 62 5.420 2.239 -7.411 1.00 0.00 O ATOM 0 H GLU A 62 7.656 -1.699 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 62 6.948 -0.688 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.380 -0.390 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.794 0.570 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.121 1.959 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.006 0.608 -5.666 1.00 0.00 H new ATOM 915 N GLU A 63 4.085 -1.988 -3.147 1.00 0.00 N ATOM 916 CA GLU A 63 3.311 -2.953 -2.321 1.00 0.00 C ATOM 917 C GLU A 63 2.686 -4.016 -3.228 1.00 0.00 C ATOM 918 O GLU A 63 3.196 -4.300 -4.293 1.00 0.00 O ATOM 919 CB GLU A 63 2.226 -2.106 -1.654 1.00 0.00 C ATOM 920 CG GLU A 63 1.187 -1.700 -2.700 1.00 0.00 C ATOM 921 CD GLU A 63 0.404 -0.482 -2.204 1.00 0.00 C ATOM 922 OE1 GLU A 63 0.427 -0.234 -1.010 1.00 0.00 O ATOM 923 OE2 GLU A 63 -0.203 0.182 -3.027 1.00 0.00 O ATOM 0 H GLU A 63 3.529 -1.269 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 63 3.926 -3.476 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.750 -2.670 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.668 -1.219 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.679 -1.468 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.506 -2.529 -2.891 1.00 0.00 H new ATOM 930 N TRP A 64 1.568 -4.585 -2.849 1.00 0.00 N ATOM 931 CA TRP A 64 0.937 -5.586 -3.753 1.00 0.00 C ATOM 932 C TRP A 64 0.293 -4.792 -4.904 1.00 0.00 C ATOM 933 O TRP A 64 0.955 -4.351 -5.823 1.00 0.00 O ATOM 934 CB TRP A 64 -0.142 -6.343 -2.920 1.00 0.00 C ATOM 935 CG TRP A 64 -0.965 -7.252 -3.831 1.00 0.00 C ATOM 936 CD1 TRP A 64 -0.916 -7.240 -5.189 1.00 0.00 C ATOM 937 CD2 TRP A 64 -1.967 -8.283 -3.494 1.00 0.00 C ATOM 938 NE1 TRP A 64 -1.859 -8.100 -5.692 1.00 0.00 N ATOM 939 CE2 TRP A 64 -2.521 -8.775 -4.707 1.00 0.00 C ATOM 940 CE3 TRP A 64 -2.471 -8.828 -2.293 1.00 0.00 C ATOM 941 CZ2 TRP A 64 -3.523 -9.741 -4.725 1.00 0.00 C ATOM 942 CZ3 TRP A 64 -3.474 -9.805 -2.315 1.00 0.00 C ATOM 943 CH2 TRP A 64 -4.004 -10.254 -3.528 1.00 0.00 C ATOM 0 H TRP A 64 1.077 -4.404 -1.973 1.00 0.00 H new ATOM 0 HA TRP A 64 1.644 -6.310 -4.158 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.338 -6.935 -2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.795 -5.628 -2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.238 -6.644 -5.782 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -2.044 -8.221 -6.688 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.078 -8.487 -1.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.924 -10.090 -5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.841 -10.215 -1.386 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.786 -10.999 -3.534 1.00 0.00 H new ATOM 954 N SER A 65 -0.997 -4.626 -4.851 1.00 0.00 N ATOM 955 CA SER A 65 -1.740 -3.890 -5.908 1.00 0.00 C ATOM 956 C SER A 65 -3.223 -4.065 -5.599 1.00 0.00 C ATOM 957 O SER A 65 -4.052 -4.242 -6.470 1.00 0.00 O ATOM 958 CB SER A 65 -1.366 -4.577 -7.222 1.00 0.00 C ATOM 959 OG SER A 65 -2.349 -4.282 -8.205 1.00 0.00 O ATOM 0 H SER A 65 -1.584 -4.981 -4.096 1.00 0.00 H new ATOM 0 HA SER A 65 -1.511 -2.826 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.387 -4.236 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.295 -5.655 -7.074 1.00 0.00 H new ATOM 0 HG SER A 65 -3.216 -4.639 -7.918 1.00 0.00 H new ATOM 965 N CYS A 66 -3.534 -4.052 -4.332 1.00 0.00 N ATOM 966 CA CYS A 66 -4.927 -4.253 -3.871 1.00 0.00 C ATOM 967 C CYS A 66 -5.468 -5.586 -4.374 1.00 0.00 C ATOM 968 O CYS A 66 -4.926 -6.200 -5.273 1.00 0.00 O ATOM 969 CB CYS A 66 -5.741 -3.080 -4.415 1.00 0.00 C ATOM 970 SG CYS A 66 -7.519 -3.455 -4.311 1.00 0.00 S ATOM 0 H CYS A 66 -2.859 -3.906 -3.581 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.985 -4.284 -2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.518 -2.177 -3.847 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.463 -2.882 -5.450 1.00 0.00 H new ATOM 975 N SER A 67 -6.535 -6.035 -3.784 1.00 0.00 N ATOM 976 CA SER A 67 -7.135 -7.335 -4.198 1.00 0.00 C ATOM 977 C SER A 67 -8.657 -7.196 -4.322 1.00 0.00 C ATOM 978 O SER A 67 -9.158 -6.184 -4.769 1.00 0.00 O ATOM 979 CB SER A 67 -6.765 -8.299 -3.073 1.00 0.00 C ATOM 980 OG SER A 67 -7.793 -8.293 -2.093 1.00 0.00 O ATOM 0 H SER A 67 -7.023 -5.556 -3.027 1.00 0.00 H new ATOM 0 HA SER A 67 -6.774 -7.679 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.631 -9.305 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.817 -8.005 -2.624 1.00 0.00 H new ATOM 0 HG SER A 67 -7.559 -8.912 -1.370 1.00 0.00 H new ATOM 986 N LEU A 68 -9.397 -8.198 -3.925 1.00 0.00 N ATOM 987 CA LEU A 68 -10.889 -8.097 -4.022 1.00 0.00 C ATOM 988 C LEU A 68 -11.474 -7.605 -2.697 1.00 0.00 C ATOM 989 O LEU A 68 -12.225 -8.296 -2.038 1.00 0.00 O ATOM 990 CB LEU A 68 -11.415 -9.502 -4.357 1.00 0.00 C ATOM 991 CG LEU A 68 -10.637 -10.590 -3.604 1.00 0.00 C ATOM 992 CD1 LEU A 68 -10.472 -10.212 -2.129 1.00 0.00 C ATOM 993 CD2 LEU A 68 -11.407 -11.909 -3.698 1.00 0.00 C ATOM 0 H LEU A 68 -9.041 -9.074 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.182 -7.384 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.472 -9.566 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.336 -9.674 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.649 -10.692 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.918 -10.996 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.926 -9.272 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.454 -10.099 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.861 -12.688 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.394 -11.787 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.516 -12.193 -4.745 1.00 0.00 H new ATOM 1005 N CYS A 69 -11.129 -6.414 -2.304 1.00 0.00 N ATOM 1006 CA CYS A 69 -11.655 -5.866 -1.019 1.00 0.00 C ATOM 1007 C CYS A 69 -13.172 -5.663 -1.108 1.00 0.00 C ATOM 1008 O CYS A 69 -13.894 -5.881 -0.156 1.00 0.00 O ATOM 1009 CB CYS A 69 -10.943 -4.523 -0.840 1.00 0.00 C ATOM 1010 SG CYS A 69 -9.165 -4.726 -1.137 1.00 0.00 S ATOM 0 H CYS A 69 -10.504 -5.792 -2.816 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.475 -6.538 -0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.355 -3.788 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.112 -4.143 0.168 1.00 0.00 H new ATOM 1015 N HIS A 70 -13.657 -5.245 -2.245 1.00 0.00 N ATOM 1016 CA HIS A 70 -15.126 -5.024 -2.399 1.00 0.00 C ATOM 1017 C HIS A 70 -15.639 -4.086 -1.304 1.00 0.00 C ATOM 1018 O HIS A 70 -16.362 -4.488 -0.414 1.00 0.00 O ATOM 1019 CB HIS A 70 -15.761 -6.408 -2.263 1.00 0.00 C ATOM 1020 CG HIS A 70 -16.275 -6.854 -3.605 1.00 0.00 C ATOM 1021 ND1 HIS A 70 -15.613 -7.799 -4.372 1.00 0.00 N ATOM 1022 CD2 HIS A 70 -17.382 -6.490 -4.330 1.00 0.00 C ATOM 1023 CE1 HIS A 70 -16.322 -7.971 -5.503 1.00 0.00 C ATOM 1024 NE2 HIS A 70 -17.410 -7.197 -5.529 1.00 0.00 N ATOM 0 H HIS A 70 -13.100 -5.046 -3.076 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.371 -4.560 -3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.028 -7.121 -1.886 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.577 -6.377 -1.540 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -18.119 -5.765 -4.018 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -16.045 -8.652 -6.294 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.110 -7.137 -6.268 1.00 0.00 H new ATOM 1032 N VAL A 71 -15.269 -2.837 -1.366 1.00 0.00 N ATOM 1033 CA VAL A 71 -15.732 -1.866 -0.334 1.00 0.00 C ATOM 1034 C VAL A 71 -16.706 -0.863 -0.957 1.00 0.00 C ATOM 1035 O VAL A 71 -16.534 0.336 -0.846 1.00 0.00 O ATOM 1036 CB VAL A 71 -14.462 -1.159 0.133 1.00 0.00 C ATOM 1037 CG1 VAL A 71 -13.475 -2.193 0.677 1.00 0.00 C ATOM 1038 CG2 VAL A 71 -13.827 -0.425 -1.051 1.00 0.00 C ATOM 0 H VAL A 71 -14.665 -2.446 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 71 -16.257 -2.351 0.489 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.709 -0.444 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.568 -1.690 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.927 -2.721 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.226 -2.907 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.920 0.081 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.578 -1.143 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.530 0.310 -1.443 1.00 0.00 H new ATOM 1048 N LEU A 72 -17.723 -1.344 -1.615 1.00 0.00 N ATOM 1049 CA LEU A 72 -18.707 -0.423 -2.253 1.00 0.00 C ATOM 1050 C LEU A 72 -19.274 0.557 -1.222 1.00 0.00 C ATOM 1051 O LEU A 72 -20.016 0.171 -0.340 1.00 0.00 O ATOM 1052 CB LEU A 72 -19.809 -1.336 -2.789 1.00 0.00 C ATOM 1053 CG LEU A 72 -19.333 -1.998 -4.083 1.00 0.00 C ATOM 1054 CD1 LEU A 72 -20.303 -3.113 -4.477 1.00 0.00 C ATOM 1055 CD2 LEU A 72 -19.281 -0.951 -5.198 1.00 0.00 C ATOM 0 H LEU A 72 -17.917 -2.338 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 72 -18.254 0.180 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.059 -2.096 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -20.716 -0.760 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.340 -2.421 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -19.962 -3.583 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.342 -3.858 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.297 -2.693 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.942 -1.420 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -20.275 -0.530 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -18.589 -0.157 -4.919 1.00 0.00 H new ATOM 1067 N PRO A 73 -18.907 1.801 -1.375 1.00 0.00 N ATOM 1068 CA PRO A 73 -19.389 2.857 -0.451 1.00 0.00 C ATOM 1069 C PRO A 73 -20.862 3.176 -0.728 1.00 0.00 C ATOM 1070 O PRO A 73 -21.208 3.702 -1.768 1.00 0.00 O ATOM 1071 CB PRO A 73 -18.497 4.052 -0.779 1.00 0.00 C ATOM 1072 CG PRO A 73 -18.041 3.826 -2.185 1.00 0.00 C ATOM 1073 CD PRO A 73 -18.018 2.336 -2.413 1.00 0.00 C ATOM 0 HA PRO A 73 -19.335 2.569 0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.046 4.990 -0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.650 4.111 -0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.714 4.313 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.051 4.254 -2.342 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.372 2.080 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.009 1.934 -2.320 1.00 0.00 H new ATOM 1081 N ASP A 74 -21.732 2.854 0.191 1.00 0.00 N ATOM 1082 CA ASP A 74 -23.183 3.132 -0.021 1.00 0.00 C ATOM 1083 C ASP A 74 -23.629 4.327 0.827 1.00 0.00 C ATOM 1084 O ASP A 74 -24.731 4.820 0.688 1.00 0.00 O ATOM 1085 CB ASP A 74 -23.897 1.858 0.433 1.00 0.00 C ATOM 1086 CG ASP A 74 -24.817 1.359 -0.683 1.00 0.00 C ATOM 1087 OD1 ASP A 74 -25.366 2.190 -1.388 1.00 0.00 O ATOM 1088 OD2 ASP A 74 -24.957 0.154 -0.814 1.00 0.00 O ATOM 0 H ASP A 74 -21.501 2.410 1.080 1.00 0.00 H new ATOM 0 HA ASP A 74 -23.407 3.382 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -23.166 1.090 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -24.477 2.056 1.335 1.00 0.00 H new ATOM 1093 N LEU A 75 -22.786 4.797 1.705 1.00 0.00 N ATOM 1094 CA LEU A 75 -23.172 5.960 2.557 1.00 0.00 C ATOM 1095 C LEU A 75 -22.123 7.071 2.447 1.00 0.00 C ATOM 1096 O LEU A 75 -22.051 7.953 3.279 1.00 0.00 O ATOM 1097 CB LEU A 75 -23.227 5.409 3.984 1.00 0.00 C ATOM 1098 CG LEU A 75 -24.473 4.536 4.150 1.00 0.00 C ATOM 1099 CD1 LEU A 75 -24.256 3.555 5.302 1.00 0.00 C ATOM 1100 CD2 LEU A 75 -25.683 5.423 4.457 1.00 0.00 C ATOM 0 H LEU A 75 -21.849 4.428 1.870 1.00 0.00 H new ATOM 0 HA LEU A 75 -24.124 6.394 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -22.331 4.825 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -23.248 6.230 4.701 1.00 0.00 H new ATOM 0 HG LEU A 75 -24.654 3.983 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -25.143 2.932 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -23.395 2.923 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -24.075 4.109 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -26.570 4.800 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -25.503 5.977 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -25.838 6.124 3.636 1.00 0.00 H new ATOM 1112 N LYS A 76 -21.313 7.035 1.425 1.00 0.00 N ATOM 1113 CA LYS A 76 -20.271 8.091 1.258 1.00 0.00 C ATOM 1114 C LYS A 76 -20.920 9.401 0.805 1.00 0.00 C ATOM 1115 O LYS A 76 -21.783 9.413 -0.050 1.00 0.00 O ATOM 1116 CB LYS A 76 -19.338 7.560 0.170 1.00 0.00 C ATOM 1117 CG LYS A 76 -17.945 7.316 0.756 1.00 0.00 C ATOM 1118 CD LYS A 76 -16.884 7.684 -0.285 1.00 0.00 C ATOM 1119 CE LYS A 76 -15.840 6.567 -0.372 1.00 0.00 C ATOM 1120 NZ LYS A 76 -15.256 6.692 -1.737 1.00 0.00 N ATOM 0 H LYS A 76 -21.326 6.320 0.697 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.740 8.297 2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -19.736 6.633 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -19.277 8.275 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.808 7.913 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.838 6.271 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.352 7.835 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.404 8.624 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.075 6.680 0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.296 5.588 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.531 5.959 -1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.006 6.573 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.823 7.631 -1.845 1.00 0.00 H new ATOM 1134 N GLU A 77 -20.508 10.505 1.365 1.00 0.00 N ATOM 1135 CA GLU A 77 -21.102 11.810 0.956 1.00 0.00 C ATOM 1136 C GLU A 77 -20.000 12.763 0.484 1.00 0.00 C ATOM 1137 O GLU A 77 -19.035 13.006 1.182 1.00 0.00 O ATOM 1138 CB GLU A 77 -21.797 12.345 2.212 1.00 0.00 C ATOM 1139 CG GLU A 77 -20.768 12.984 3.151 1.00 0.00 C ATOM 1140 CD GLU A 77 -20.593 14.460 2.787 1.00 0.00 C ATOM 1141 OE1 GLU A 77 -21.588 15.166 2.766 1.00 0.00 O ATOM 1142 OE2 GLU A 77 -19.469 14.858 2.533 1.00 0.00 O ATOM 0 H GLU A 77 -19.788 10.561 2.086 1.00 0.00 H new ATOM 0 HA GLU A 77 -21.803 11.708 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -22.553 13.080 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -22.314 11.534 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -21.097 12.890 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -19.814 12.463 3.071 1.00 0.00 H new ATOM 1149 N GLU A 78 -20.133 13.302 -0.696 1.00 0.00 N ATOM 1150 CA GLU A 78 -19.089 14.234 -1.211 1.00 0.00 C ATOM 1151 C GLU A 78 -19.702 15.606 -1.503 1.00 0.00 C ATOM 1152 O GLU A 78 -20.219 15.850 -2.576 1.00 0.00 O ATOM 1153 CB GLU A 78 -18.581 13.588 -2.499 1.00 0.00 C ATOM 1154 CG GLU A 78 -17.551 14.506 -3.160 1.00 0.00 C ATOM 1155 CD GLU A 78 -16.325 13.689 -3.571 1.00 0.00 C ATOM 1156 OE1 GLU A 78 -15.829 12.942 -2.743 1.00 0.00 O ATOM 1157 OE2 GLU A 78 -15.901 13.825 -4.708 1.00 0.00 O ATOM 0 H GLU A 78 -20.918 13.138 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.286 14.392 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -18.132 12.619 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -19.413 13.407 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.988 14.990 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.259 15.298 -2.470 1.00 0.00 H new ATOM 1164 N ASP A 79 -19.648 16.503 -0.558 1.00 0.00 N ATOM 1165 CA ASP A 79 -20.227 17.860 -0.782 1.00 0.00 C ATOM 1166 C ASP A 79 -21.706 17.746 -1.159 1.00 0.00 C ATOM 1167 O ASP A 79 -22.206 18.487 -1.981 1.00 0.00 O ATOM 1168 CB ASP A 79 -19.422 18.449 -1.941 1.00 0.00 C ATOM 1169 CG ASP A 79 -19.043 19.895 -1.617 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -19.480 20.386 -0.589 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -18.321 20.488 -2.402 1.00 0.00 O ATOM 0 H ASP A 79 -19.228 16.356 0.360 1.00 0.00 H new ATOM 0 HA ASP A 79 -20.173 18.485 0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.523 17.856 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -20.007 18.413 -2.860 1.00 0.00 H new ATOM 1176 N VAL A 80 -22.410 16.822 -0.563 1.00 0.00 N ATOM 1177 CA VAL A 80 -23.855 16.663 -0.888 1.00 0.00 C ATOM 1178 C VAL A 80 -24.682 17.715 -0.144 1.00 0.00 C ATOM 1179 O VAL A 80 -25.567 17.395 0.623 1.00 0.00 O ATOM 1180 CB VAL A 80 -24.217 15.258 -0.409 1.00 0.00 C ATOM 1181 CG1 VAL A 80 -25.583 14.863 -0.973 1.00 0.00 C ATOM 1182 CG2 VAL A 80 -23.157 14.267 -0.896 1.00 0.00 C ATOM 0 H VAL A 80 -22.047 16.172 0.134 1.00 0.00 H new ATOM 0 HA VAL A 80 -24.057 16.794 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 80 -24.257 15.243 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -25.842 13.861 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -26.337 15.570 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -25.545 14.877 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -23.413 13.264 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -23.118 14.282 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -22.184 14.549 -0.495 1.00 0.00 H new ATOM 1192 N ASP A 81 -24.397 18.969 -0.365 1.00 0.00 N ATOM 1193 CA ASP A 81 -25.165 20.043 0.329 1.00 0.00 C ATOM 1194 C ASP A 81 -26.495 20.293 -0.386 1.00 0.00 C ATOM 1195 O ASP A 81 -27.511 20.526 0.239 1.00 0.00 O ATOM 1196 CB ASP A 81 -24.273 21.283 0.249 1.00 0.00 C ATOM 1197 CG ASP A 81 -24.058 21.847 1.655 1.00 0.00 C ATOM 1198 OD1 ASP A 81 -25.035 21.990 2.371 1.00 0.00 O ATOM 1199 OD2 ASP A 81 -22.919 22.125 1.992 1.00 0.00 O ATOM 0 H ASP A 81 -23.666 19.297 -0.996 1.00 0.00 H new ATOM 0 HA ASP A 81 -25.405 19.777 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -23.315 21.026 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -24.735 22.036 -0.390 1.00 0.00 H new ATOM 1204 N LEU A 82 -26.499 20.249 -1.691 1.00 0.00 N ATOM 1205 CA LEU A 82 -27.766 20.489 -2.440 1.00 0.00 C ATOM 1206 C LEU A 82 -28.112 19.268 -3.302 1.00 0.00 C ATOM 1207 O LEU A 82 -27.274 18.730 -3.998 1.00 0.00 O ATOM 1208 CB LEU A 82 -27.475 21.715 -3.314 1.00 0.00 C ATOM 1209 CG LEU A 82 -28.406 21.730 -4.531 1.00 0.00 C ATOM 1210 CD1 LEU A 82 -28.942 23.145 -4.755 1.00 0.00 C ATOM 1211 CD2 LEU A 82 -27.626 21.280 -5.767 1.00 0.00 C ATOM 0 H LEU A 82 -25.681 20.058 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 82 -28.618 20.654 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -27.611 22.626 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -26.436 21.698 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 82 -29.242 21.053 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -29.603 23.151 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -29.496 23.468 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -28.109 23.826 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -28.284 21.289 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -26.791 21.959 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -27.246 20.270 -5.610 1.00 0.00 H new ATOM 1223 N GLN A 83 -29.342 18.832 -3.265 1.00 0.00 N ATOM 1224 CA GLN A 83 -29.740 17.653 -4.087 1.00 0.00 C ATOM 1225 C GLN A 83 -30.002 18.089 -5.531 1.00 0.00 C ATOM 1226 O GLN A 83 -31.132 18.261 -5.943 1.00 0.00 O ATOM 1227 CB GLN A 83 -31.026 17.136 -3.440 1.00 0.00 C ATOM 1228 CG GLN A 83 -30.722 15.867 -2.643 1.00 0.00 C ATOM 1229 CD GLN A 83 -31.005 16.115 -1.160 1.00 0.00 C ATOM 1230 OE1 GLN A 83 -30.096 16.324 -0.383 1.00 0.00 O ATOM 1231 NE2 GLN A 83 -32.239 16.101 -0.733 1.00 0.00 N ATOM 0 H GLN A 83 -30.088 19.241 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 83 -28.966 16.887 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -31.447 17.898 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -31.772 16.927 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -31.333 15.041 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -29.680 15.579 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -33.003 15.925 -1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -32.439 16.266 0.254 1.00 0.00 H new ATOM 1240 N ALA A 84 -28.964 18.276 -6.302 1.00 0.00 N ATOM 1241 CA ALA A 84 -29.153 18.708 -7.717 1.00 0.00 C ATOM 1242 C ALA A 84 -29.854 17.610 -8.520 1.00 0.00 C ATOM 1243 O ALA A 84 -30.972 17.773 -8.966 1.00 0.00 O ATOM 1244 CB ALA A 84 -27.741 18.945 -8.252 1.00 0.00 C ATOM 0 H ALA A 84 -27.994 18.148 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 84 -29.774 19.601 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -27.795 19.267 -9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -27.252 19.717 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -27.168 18.020 -8.188 1.00 0.00 H new ATOM 1250 N CYS A 85 -29.203 16.496 -8.710 1.00 0.00 N ATOM 1251 CA CYS A 85 -29.830 15.388 -9.488 1.00 0.00 C ATOM 1252 C CYS A 85 -31.137 14.944 -8.827 1.00 0.00 C ATOM 1253 O CYS A 85 -31.870 15.741 -8.276 1.00 0.00 O ATOM 1254 CB CYS A 85 -28.807 14.254 -9.456 1.00 0.00 C ATOM 1255 SG CYS A 85 -27.219 14.856 -10.083 1.00 0.00 S ATOM 0 H CYS A 85 -28.264 16.304 -8.361 1.00 0.00 H new ATOM 0 HA CYS A 85 -30.076 15.691 -10.506 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -28.691 13.883 -8.438 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -29.156 13.418 -10.062 1.00 0.00 H new ATOM 0 HG CYS A 85 -26.347 13.892 -10.054 1.00 0.00 H new ATOM 1261 N LYS A 86 -31.434 13.675 -8.881 1.00 0.00 N ATOM 1262 CA LYS A 86 -32.693 13.174 -8.260 1.00 0.00 C ATOM 1263 C LYS A 86 -32.480 11.768 -7.694 1.00 0.00 C ATOM 1264 O LYS A 86 -33.090 10.812 -8.131 1.00 0.00 O ATOM 1265 CB LYS A 86 -33.710 13.145 -9.401 1.00 0.00 C ATOM 1266 CG LYS A 86 -35.085 13.561 -8.875 1.00 0.00 C ATOM 1267 CD LYS A 86 -36.096 12.449 -9.159 1.00 0.00 C ATOM 1268 CE LYS A 86 -37.024 12.283 -7.954 1.00 0.00 C ATOM 1269 NZ LYS A 86 -37.378 10.837 -7.941 1.00 0.00 N ATOM 0 H LYS A 86 -30.858 12.962 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 86 -33.025 13.801 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -33.396 13.818 -10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -33.761 12.144 -9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -35.033 13.755 -7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -35.404 14.488 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -36.678 12.690 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -35.576 11.513 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -36.527 12.577 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -37.913 12.907 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -38.014 10.642 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -37.855 10.588 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -36.513 10.269 -7.841 1.00 0.00 H new ATOM 1283 N LEU A 87 -31.618 11.636 -6.725 1.00 0.00 N ATOM 1284 CA LEU A 87 -31.364 10.293 -6.129 1.00 0.00 C ATOM 1285 C LEU A 87 -31.251 10.404 -4.607 1.00 0.00 C ATOM 1286 O LEU A 87 -30.179 10.588 -4.066 1.00 0.00 O ATOM 1287 CB LEU A 87 -30.036 9.836 -6.733 1.00 0.00 C ATOM 1288 CG LEU A 87 -29.896 8.322 -6.573 1.00 0.00 C ATOM 1289 CD1 LEU A 87 -29.767 7.974 -5.090 1.00 0.00 C ATOM 1290 CD2 LEU A 87 -31.134 7.634 -7.151 1.00 0.00 C ATOM 0 H LEU A 87 -31.078 12.400 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 87 -32.170 9.589 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -29.992 10.106 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -29.207 10.343 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 87 -29.007 7.981 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -29.667 6.894 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -28.886 8.465 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -30.655 8.314 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -31.036 6.554 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -32.022 7.976 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -31.227 7.881 -8.209 1.00 0.00 H new ATOM 1302 N ASN A 88 -32.350 10.295 -3.913 1.00 0.00 N ATOM 1303 CA ASN A 88 -32.307 10.394 -2.426 1.00 0.00 C ATOM 1304 C ASN A 88 -31.112 9.610 -1.878 1.00 0.00 C ATOM 1305 O ASN A 88 -30.529 10.059 -0.905 1.00 0.00 O ATOM 1306 CB ASN A 88 -33.621 9.774 -1.951 1.00 0.00 C ATOM 1307 CG ASN A 88 -33.564 8.256 -2.127 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -32.983 7.560 -1.318 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -34.147 7.710 -3.159 1.00 0.00 N ATOM 1310 OXT ASN A 88 -30.799 8.575 -2.441 1.00 0.00 O ATOM 0 H ASN A 88 -33.277 10.142 -4.311 1.00 0.00 H new ATOM 0 HA ASN A 88 -32.194 11.422 -2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -33.795 10.023 -0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -34.455 10.185 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -34.115 6.699 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -34.635 8.295 -3.838 1.00 0.00 H new TER 1317 ASN A 88 HETATM 1318 ZN ZN A 89 -8.372 -2.870 -2.238 1.00 0.00 ZN HETATM 1319 ZN ZN A 90 0.256 -9.349 6.176 1.00 0.00 ZN CONECT 402 1319 CONECT 452 1319 CONECT 586 1318 CONECT 627 1318 CONECT 704 1319 CONECT 750 1319 CONECT 970 1318 CONECT 1010 1318 CONECT 1318 586 627 970 1010 CONECT 1319 402 452 704 750 END