USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) HEADER STRUCTURAL PROTEIN 11-JUL-08 2K6N TITLE SOLUTION STRUCTURE OF HUMAN SUPERVILLIN HEADPIECE, MINIMIZED TITLE 2 AVERAGE COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUPERVILLIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 2149-2214, HP; COMPND 5 SYNONYM: ARCHVILLIN, P205/P250; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: SVIL; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PSVHP(PET24A) KEYWDS SUPERVILLIN, SVHP, HP, HEADPIECE, VILLIN, NMR, ARCHVILLIN, KEYWDS 2 ACTIN CAPPING, ACTIN-BINDING, ALTERNATIVE SPLICING, KEYWDS 3 CALCIUM, CYTOPLASM, CYTOSKELETON, MEMBRANE, PHOSPHOPROTEIN, KEYWDS 4 POLYMORPHISM, STRUCTURAL PROTEIN EXPDTA SOLUTION NMR AUTHOR J.W.BROWN,V.DIDEM,C.MCKNIGHT REVDAT 2 27-OCT-09 2K6N 1 JRNL REVDAT 1 14-JUL-09 2K6N 0 JRNL AUTH J.W.BROWN,D.VARDAR-ULU,C.J.MCKNIGHT JRNL TITL HOW TO ARM A SUPERVILLIN: DESIGNING F-ACTIN BINDING JRNL TITL 2 ACTIVITY INTO SUPERVILLIN HEADPIECE. JRNL REF J.MOL.BIOL. V. 393 608 2009 JRNL REFN ISSN 0022-2836 JRNL PMID 19683541 JRNL DOI 10.1016/J.JMB.2009.08.018 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2K6N COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUL-08. REMARK 100 THE RCSB ID CODE IS RCSB100742. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.3-2.5 MM [U-13C; U-15N] REMARK 210 SUPERVILLIN HEADPIECE, 4 MM REMARK 210 DTT, 500 UM TMSP, 100 MM REMARK 210 SODIUM CHLORIDE, 20 MM SODIUM REMARK 210 PHOSPHATE, 95% H2O/5% D2O; REMARK 210 1.3-2.5 MM [U-15N] SUPERVILLIN REMARK 210 HEADPIECE, 4 MM DTT, 500 UM REMARK 210 TMSP, 100 MM SODIUM CHLORIDE, REMARK 210 20 MM SODIUM PHOSPHATE, 95% REMARK 210 H2O/5% D2O; 1.3-2.5 MM [U-10% REMARK 210 13C] SUPERVILLIN HEADPIECE, 4 REMARK 210 MM DTT, 500 UM TMSP, 100 MM REMARK 210 SODIUM CHLORIDE, 20 MM SODIUM REMARK 210 PHOSPHATE, 95% H2O/5% D2O; REMARK 210 1.3-2.5 MM [U-13C] SUPERVILLIN REMARK 210 HEADPIECE, 4 MM DTT, 500 UM REMARK 210 TMSP, 100 MM SODIUM CHLORIDE, REMARK 210 20 MM SODIUM PHOSPHATE, 95% REMARK 210 H2O/5% D2O; 1.3-2.5 MM REMARK 210 SUPERVILLIN HEADPIECE, 4 MM REMARK 210 DTT, 500 UM TMSP, 100 MM REMARK 210 SODIUM CHLORIDE, 20 MM SODIUM REMARK 210 PHOSPHATE, 95% H2O/5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 2D 1H-13C REMARK 210 HSQC; 2D 1H-1H TOCSY; 2D 1H-1H REMARK 210 COSY; 3D HNCO; 3D HNCA; 3D REMARK 210 HN(CO)CA; 3D HN(CA)CO; 3D HCCH REMARK 210 -TOCSY; 3D HCCH-COSY; 3D HNHA; REMARK 210 3D HNHB; 2D 1H-1H NOESY; 3D 1H REMARK 210 -15N NOESY; 3D 1H-13C NOESY; REMARK 210 3D HMQC-J REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS 1.1, NMRPIPE, MOLMOL REMARK 210 2K.2, XWINNMR 3.1, TALOS, REMARK 210 PREDITOR, NMRVIEW 7.0.16 REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 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: DISTANCE RESTRAINTS WERE DETERMINED FROM A NOESY REMARK 210 BUILDUP SERIES. MIXING TIMES OF 50, 75, 100, 125, 150 - 13C REMARK 210 AND 15N NOE ASSIGNMENTS WERE BINED AS WEAK 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O THR A 43 H PHE A 47 1.49 REMARK 500 O TRP A 64 H ASN A 68 1.51 REMARK 500 REMARK 500 REMARK: NULL 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 ALA A 26 44.21 167.69 REMARK 500 PRO A 28 73.42 -40.39 REMARK 500 PRO A 30 -155.14 -62.31 REMARK 500 ASP A 44 -40.39 -29.13 REMARK 500 MET A 53 -159.53 -125.60 REMARK 500 LEU A 75 -82.02 -78.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2K6M RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF HUMAN SUPERVILLIN HEADPIECE REMARK 900 RELATED ID: 1YU5 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE HEADPIECE DOMAIN OF CHICKEN VILLIN REMARK 900 RELATED ID: 1QZP RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE HUMAN DEMATIN HEADPIECE DOMAIN REMARK 900 RELATED ID: 1ZV6 RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE HUMAN DEMATIN HEADPIECE S74E MUTANT REMARK 900 RELATED ID: 1QQV RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE HEADPIECE DOMAIN OF CHICKEN VILLIN REMARK 900 RELATED ID: 1YU7 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE W64A MUTANT OF VILLIN HEADPIECE REMARK 900 RELATED ID: 1UNC RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE HUMAN VILLIN C-TERMINAL HEADPIECE REMARK 900 SUBDOMAIN REMARK 900 RELATED ID: 1UND RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE HUMAN ADVILLIN C-TERMINAL REMARK 900 SUBDOMAIN REMARK 900 RELATED ID: 1YU8 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE R37A MUTANT OF VILLIN HEADPIECE REMARK 900 RELATED ID: 1VII RELATED DB: PDB REMARK 900 THERMOSTABLE SUBDOMAIN FROM CHICKEN VILLIN HEADPIECE, NMR, REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 2PPZ RELATED DB: PDB REMARK 900 NMR SOLUTION STRUCTURE OF THE VILLIN HEADPIECE MUTANT G34L REMARK 900 RELATED ID: 1UJS RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE VILLIN HEADPIECE DOMAIN OF HUMAN REMARK 900 ACTIN-BINDING LIM PROTEIN HOMOLOG REMARK 900 RELATED ID: 1YRF RELATED DB: PDB REMARK 900 CHICKEN VILLIN SUBDOMAIN HP-35, N68H, PH 6.7 REMARK 900 RELATED ID: 1YRI RELATED DB: PDB REMARK 900 CHICKEN VILLIN SUBDOMAIN HP-35, N68H, PH 6.4 REMARK 900 RELATED ID: 2JM0 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF CHICKEN VILLIN HEADPIECE SUBDOMAIN REMARK 900 CONTAINING A FLUORINATED SIDECHAIN IN THE CORE REMARK 900 RELATED ID: 1WY3 RELATED DB: PDB REMARK 900 CHICKEN VILLIN SUBDOMAIN HP-35, K65(NLE), N68H, PH 7.0 REMARK 900 RELATED ID: 1WY4 RELATED DB: PDB REMARK 900 CHICKEN VILLIN SUBDOMAIN HP-35, K65(NLE), N68H, PH 5.1 DBREF 2K6N A 11 76 UNP O95425 SVIL_HUMAN 2149 2214 SEQADV 2K6N MET A 10 UNP O95425 EXPRESSION TAG SEQRES 1 A 67 MET LEU ALA LYS LEU CYS LYS THR ILE TYR PRO LEU ALA SEQRES 2 A 67 ASP LEU LEU ALA ARG PRO LEU PRO GLU GLY VAL ASP PRO SEQRES 3 A 67 LEU LYS LEU GLU ILE TYR LEU THR ASP GLU ASP PHE GLU SEQRES 4 A 67 PHE ALA LEU ASP MET THR ARG ASP GLU TYR ASN ALA LEU SEQRES 5 A 67 PRO ALA TRP LYS GLN VAL ASN LEU LYS LYS ALA LYS GLY SEQRES 6 A 67 LEU PHE HELIX 1 1 PRO A 20 ALA A 26 1 7 HELIX 2 2 THR A 43 LEU A 51 1 9 HELIX 3 3 THR A 54 ASN A 59 1 6 HELIX 4 4 PRO A 62 GLY A 74 1 13 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 Single : A 10 MET CE :methyl -164:sc= -0.305 (180deg=-1.01) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -134:sc= -0.0378 (180deg=-2.32!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -150:sc= -1.58! USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0883) USER MOD Single : A 41 TYR OH : rot 127:sc= -9.44! USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 53 MET CE :methyl 173:sc= 0 (180deg=-0.0414) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.83 USER MOD Single : A 58 TYR OH : rot 90:sc= -3.65! USER MOD Single : A 59 ASN : amide:sc= -2.61 K(o=-2.6,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -3.61 X(o=-3.6,f=-3.3!) USER MOD Single : A 68 ASN : amide:sc= -4.54! C(o=-4.5!,f=-6.4!) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= -1.46 (180deg=-1.88) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0.243 (180deg=0.243) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 10 88.223 -9.818 3.631 1.00 0.00 N ATOM 2 CA MET A 10 89.257 -8.775 3.864 1.00 0.00 C ATOM 3 C MET A 10 90.080 -9.083 5.110 1.00 0.00 C ATOM 4 O MET A 10 91.264 -8.754 5.182 1.00 0.00 O ATOM 5 CB MET A 10 88.559 -7.422 4.013 1.00 0.00 C ATOM 6 CG MET A 10 89.460 -6.236 3.710 1.00 0.00 C ATOM 7 SD MET A 10 88.669 -4.655 4.067 1.00 0.00 S ATOM 8 CE MET A 10 87.064 -4.901 3.311 1.00 0.00 C ATOM 0 HA MET A 10 89.942 -8.754 3.016 1.00 0.00 H new ATOM 0 HB2 MET A 10 87.697 -7.392 3.347 1.00 0.00 H new ATOM 0 HB3 MET A 10 88.179 -7.329 5.030 1.00 0.00 H new ATOM 0 HG2 MET A 10 90.375 -6.321 4.296 1.00 0.00 H new ATOM 0 HG3 MET A 10 89.750 -6.264 2.660 1.00 0.00 H new ATOM 0 HE1 MET A 10 86.566 -3.939 3.193 1.00 0.00 H new ATOM 0 HE2 MET A 10 87.190 -5.367 2.334 1.00 0.00 H new ATOM 0 HE3 MET A 10 86.458 -5.547 3.946 1.00 0.00 H new ATOM 20 N LEU A 11 89.444 -9.716 6.091 1.00 0.00 N ATOM 21 CA LEU A 11 90.118 -10.069 7.335 1.00 0.00 C ATOM 22 C LEU A 11 90.934 -11.347 7.169 1.00 0.00 C ATOM 23 O LEU A 11 92.087 -11.419 7.594 1.00 0.00 O ATOM 24 CB LEU A 11 89.096 -10.246 8.460 1.00 0.00 C ATOM 25 CG LEU A 11 88.325 -8.981 8.839 1.00 0.00 C ATOM 26 CD1 LEU A 11 87.390 -9.255 10.007 1.00 0.00 C ATOM 27 CD2 LEU A 11 89.287 -7.852 9.178 1.00 0.00 C ATOM 0 H LEU A 11 88.464 -9.995 6.048 1.00 0.00 H new ATOM 0 HA LEU A 11 90.797 -9.257 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 11 88.381 -11.014 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 11 89.613 -10.617 9.345 1.00 0.00 H new ATOM 0 HG LEU A 11 87.724 -8.675 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 11 86.850 -8.343 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 11 86.678 -10.032 9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 11 87.971 -9.586 10.868 1.00 0.00 H new ATOM 0 HD21 LEU A 11 88.721 -6.960 9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 11 89.915 -8.149 10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 11 89.915 -7.638 8.314 1.00 0.00 H new ATOM 39 N ALA A 12 90.328 -12.354 6.548 1.00 0.00 N ATOM 40 CA ALA A 12 90.998 -13.629 6.326 1.00 0.00 C ATOM 41 C ALA A 12 92.178 -13.469 5.374 1.00 0.00 C ATOM 42 O ALA A 12 93.229 -14.083 5.563 1.00 0.00 O ATOM 43 CB ALA A 12 90.015 -14.655 5.784 1.00 0.00 C ATOM 0 H ALA A 12 89.374 -12.311 6.190 1.00 0.00 H new ATOM 0 HA ALA A 12 91.382 -13.982 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 12 90.530 -15.602 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 12 89.207 -14.798 6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 12 89.603 -14.301 4.839 1.00 0.00 H new ATOM 49 N LYS A 13 91.998 -12.642 4.350 1.00 0.00 N ATOM 50 CA LYS A 13 93.048 -12.401 3.368 1.00 0.00 C ATOM 51 C LYS A 13 93.662 -11.018 3.556 1.00 0.00 C ATOM 52 O LYS A 13 92.973 -10.067 3.924 1.00 0.00 O ATOM 53 CB LYS A 13 92.490 -12.536 1.950 1.00 0.00 C ATOM 54 CG LYS A 13 91.616 -13.764 1.756 1.00 0.00 C ATOM 55 CD LYS A 13 90.972 -13.778 0.378 1.00 0.00 C ATOM 56 CE LYS A 13 89.835 -14.784 0.304 1.00 0.00 C ATOM 57 NZ LYS A 13 89.845 -15.540 -0.980 1.00 0.00 N ATOM 0 H LYS A 13 91.134 -12.127 4.179 1.00 0.00 H new ATOM 0 HA LYS A 13 93.828 -13.148 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 13 91.909 -11.645 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 13 93.320 -12.575 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 13 92.217 -14.664 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 13 90.840 -13.784 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 13 90.595 -12.783 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 13 91.723 -14.021 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.913 -15.482 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.883 -14.264 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.054 -16.216 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 89.745 -14.876 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.743 -16.056 -1.072 1.00 0.00 H new ATOM 71 N LEU A 14 94.962 -10.913 3.300 1.00 0.00 N ATOM 72 CA LEU A 14 95.669 -9.646 3.442 1.00 0.00 C ATOM 73 C LEU A 14 95.989 -9.045 2.077 1.00 0.00 C ATOM 74 O LEU A 14 96.745 -9.622 1.295 1.00 0.00 O ATOM 75 CB LEU A 14 96.959 -9.844 4.240 1.00 0.00 C ATOM 76 CG LEU A 14 96.760 -10.177 5.720 1.00 0.00 C ATOM 77 CD1 LEU A 14 98.046 -10.722 6.322 1.00 0.00 C ATOM 78 CD2 LEU A 14 96.291 -8.947 6.483 1.00 0.00 C ATOM 0 H LEU A 14 95.547 -11.690 2.993 1.00 0.00 H new ATOM 0 HA LEU A 14 95.020 -8.955 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 14 97.535 -10.645 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 14 97.558 -8.936 4.165 1.00 0.00 H new ATOM 0 HG LEU A 14 95.992 -10.946 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 14 97.885 -10.953 7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 14 98.340 -11.628 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 14 98.835 -9.976 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 96.154 -9.201 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 14 97.037 -8.158 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 14 95.345 -8.600 6.068 1.00 0.00 H new ATOM 90 N CYS A 15 95.408 -7.883 1.797 1.00 0.00 N ATOM 91 CA CYS A 15 95.630 -7.204 0.526 1.00 0.00 C ATOM 92 C CYS A 15 96.869 -6.316 0.595 1.00 0.00 C ATOM 93 O CYS A 15 96.845 -5.247 1.205 1.00 0.00 O ATOM 94 CB CYS A 15 94.407 -6.365 0.151 1.00 0.00 C ATOM 95 SG CYS A 15 94.047 -6.336 -1.621 1.00 0.00 S ATOM 0 H CYS A 15 94.780 -7.392 2.433 1.00 0.00 H new ATOM 0 HA CYS A 15 95.789 -7.962 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 15 93.537 -6.753 0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 15 94.561 -5.343 0.496 1.00 0.00 H new ATOM 0 HG CYS A 15 92.995 -5.604 -1.838 1.00 0.00 H new ATOM 101 N LYS A 16 97.949 -6.767 -0.034 1.00 0.00 N ATOM 102 CA LYS A 16 99.198 -6.013 -0.043 1.00 0.00 C ATOM 103 C LYS A 16 99.210 -4.990 -1.173 1.00 0.00 C ATOM 104 O LYS A 16 99.329 -5.345 -2.346 1.00 0.00 O ATOM 105 CB LYS A 16 100.390 -6.961 -0.188 1.00 0.00 C ATOM 106 CG LYS A 16 100.506 -7.969 0.944 1.00 0.00 C ATOM 107 CD LYS A 16 101.958 -8.231 1.311 1.00 0.00 C ATOM 108 CE LYS A 16 102.144 -8.322 2.817 1.00 0.00 C ATOM 109 NZ LYS A 16 103.556 -8.621 3.185 1.00 0.00 N ATOM 0 H LYS A 16 97.985 -7.650 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 16 99.277 -5.481 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 16 100.305 -7.497 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 16 101.307 -6.374 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 16 99.970 -7.599 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 16 100.030 -8.904 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 16 102.290 -9.159 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 16 102.585 -7.433 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 16 101.840 -7.382 3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 16 101.492 -9.099 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 103.576 -9.371 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 104.075 -8.938 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 104.005 -7.763 3.565 1.00 0.00 H new ATOM 123 N THR A 17 99.087 -3.717 -0.812 1.00 0.00 N ATOM 124 CA THR A 17 99.085 -2.640 -1.795 1.00 0.00 C ATOM 125 C THR A 17 100.243 -1.679 -1.548 1.00 0.00 C ATOM 126 O THR A 17 100.405 -1.157 -0.444 1.00 0.00 O ATOM 127 CB THR A 17 97.758 -1.880 -1.748 1.00 0.00 C ATOM 128 OG1 THR A 17 97.715 -0.885 -2.755 1.00 0.00 O ATOM 129 CG2 THR A 17 97.504 -1.201 -0.420 1.00 0.00 C ATOM 0 H THR A 17 98.987 -3.406 0.154 1.00 0.00 H new ATOM 0 HA THR A 17 99.207 -3.083 -2.784 1.00 0.00 H new ATOM 0 HB THR A 17 96.987 -2.634 -1.905 1.00 0.00 H new ATOM 0 HG1 THR A 17 96.858 -0.411 -2.710 1.00 0.00 H new ATOM 0 HG21 THR A 17 96.547 -0.681 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 17 97.482 -1.949 0.373 1.00 0.00 H new ATOM 0 HG23 THR A 17 98.300 -0.484 -0.220 1.00 0.00 H new ATOM 137 N ILE A 18 101.049 -1.454 -2.580 1.00 0.00 N ATOM 138 CA ILE A 18 102.194 -0.566 -2.478 1.00 0.00 C ATOM 139 C ILE A 18 101.805 0.871 -2.815 1.00 0.00 C ATOM 140 O ILE A 18 100.980 1.113 -3.696 1.00 0.00 O ATOM 141 CB ILE A 18 103.323 -1.035 -3.421 1.00 0.00 C ATOM 142 CG1 ILE A 18 104.076 -2.226 -2.810 1.00 0.00 C ATOM 143 CG2 ILE A 18 104.285 0.105 -3.737 1.00 0.00 C ATOM 144 CD1 ILE A 18 103.206 -3.163 -1.995 1.00 0.00 C ATOM 0 H ILE A 18 100.927 -1.878 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 18 102.550 -0.596 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 18 102.867 -1.357 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 18 104.548 -2.793 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 18 104.876 -1.847 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 18 105.069 -0.255 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 18 103.741 0.916 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 18 104.733 0.470 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 18 103.816 -3.975 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 18 102.755 -2.614 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 18 102.421 -3.574 -2.629 1.00 0.00 H new ATOM 156 N TYR A 19 102.412 1.820 -2.109 1.00 0.00 N ATOM 157 CA TYR A 19 102.138 3.231 -2.334 1.00 0.00 C ATOM 158 C TYR A 19 103.093 3.764 -3.408 1.00 0.00 C ATOM 159 O TYR A 19 104.253 3.356 -3.469 1.00 0.00 O ATOM 160 CB TYR A 19 102.269 4.018 -1.012 1.00 0.00 C ATOM 161 CG TYR A 19 101.254 3.611 0.059 1.00 0.00 C ATOM 162 CD1 TYR A 19 100.539 2.418 -0.049 1.00 0.00 C ATOM 163 CD2 TYR A 19 101.004 4.415 1.179 1.00 0.00 C ATOM 164 CE1 TYR A 19 99.618 2.042 0.908 1.00 0.00 C ATOM 165 CE2 TYR A 19 100.080 4.036 2.137 1.00 0.00 C ATOM 166 CZ TYR A 19 99.392 2.851 1.995 1.00 0.00 C ATOM 167 OH TYR A 19 98.469 2.475 2.944 1.00 0.00 O ATOM 0 H TYR A 19 103.097 1.635 -1.376 1.00 0.00 H new ATOM 0 HA TYR A 19 101.115 3.359 -2.688 1.00 0.00 H new ATOM 0 HB2 TYR A 19 103.275 3.878 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 19 102.154 5.081 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 19 100.710 1.775 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 19 101.541 5.345 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 19 99.076 1.114 0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 19 99.899 4.668 2.994 1.00 0.00 H new ATOM 0 HH TYR A 19 98.071 3.274 3.348 1.00 0.00 H new ATOM 177 N PRO A 20 102.614 4.660 -4.291 1.00 0.00 N ATOM 178 CA PRO A 20 103.424 5.220 -5.385 1.00 0.00 C ATOM 179 C PRO A 20 104.740 5.820 -4.907 1.00 0.00 C ATOM 180 O PRO A 20 104.758 6.847 -4.231 1.00 0.00 O ATOM 181 CB PRO A 20 102.523 6.308 -5.988 1.00 0.00 C ATOM 182 CG PRO A 20 101.446 6.520 -4.981 1.00 0.00 C ATOM 183 CD PRO A 20 101.248 5.191 -4.315 1.00 0.00 C ATOM 0 HA PRO A 20 103.716 4.447 -6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 20 103.081 7.227 -6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 20 102.111 5.992 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.732 7.283 -4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 20 100.526 6.861 -5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 20 100.832 5.294 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 20 100.570 4.549 -4.877 1.00 0.00 H new ATOM 191 N LEU A 21 105.841 5.163 -5.268 1.00 0.00 N ATOM 192 CA LEU A 21 107.181 5.607 -4.884 1.00 0.00 C ATOM 193 C LEU A 21 107.340 7.125 -4.942 1.00 0.00 C ATOM 194 O LEU A 21 107.890 7.724 -4.026 1.00 0.00 O ATOM 195 CB LEU A 21 108.232 4.960 -5.785 1.00 0.00 C ATOM 196 CG LEU A 21 107.889 4.944 -7.276 1.00 0.00 C ATOM 197 CD1 LEU A 21 108.553 6.113 -7.989 1.00 0.00 C ATOM 198 CD2 LEU A 21 108.310 3.625 -7.907 1.00 0.00 C ATOM 0 H LEU A 21 105.831 4.313 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 21 107.325 5.297 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 21 109.177 5.487 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 21 108.390 3.934 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 21 106.809 5.046 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 21 108.298 6.085 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 21 108.203 7.050 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 21 109.635 6.042 -7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 21 108.058 3.632 -8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 21 109.386 3.493 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 21 107.788 2.804 -7.416 1.00 0.00 H new ATOM 210 N ALA A 22 106.870 7.743 -6.019 1.00 0.00 N ATOM 211 CA ALA A 22 106.990 9.193 -6.172 1.00 0.00 C ATOM 212 C ALA A 22 106.245 9.920 -5.063 1.00 0.00 C ATOM 213 O ALA A 22 106.823 10.706 -4.312 1.00 0.00 O ATOM 214 CB ALA A 22 106.468 9.626 -7.534 1.00 0.00 C ATOM 0 H ALA A 22 106.406 7.270 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 22 108.045 9.457 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 22 106.564 10.707 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 22 107.047 9.137 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 22 105.419 9.344 -7.628 1.00 0.00 H new ATOM 220 N ASP A 23 104.956 9.641 -4.976 1.00 0.00 N ATOM 221 CA ASP A 23 104.083 10.238 -3.978 1.00 0.00 C ATOM 222 C ASP A 23 104.667 10.162 -2.567 1.00 0.00 C ATOM 223 O ASP A 23 104.259 10.912 -1.686 1.00 0.00 O ATOM 224 CB ASP A 23 102.749 9.507 -4.000 1.00 0.00 C ATOM 225 CG ASP A 23 101.606 10.380 -4.477 1.00 0.00 C ATOM 226 OD1 ASP A 23 101.864 11.333 -5.242 1.00 0.00 O ATOM 227 OD2 ASP A 23 100.450 10.107 -4.089 1.00 0.00 O ATOM 0 H ASP A 23 104.481 8.989 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 23 103.965 11.293 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 23 102.829 8.635 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 23 102.525 9.139 -2.999 1.00 0.00 H new ATOM 232 N LEU A 24 105.593 9.239 -2.345 1.00 0.00 N ATOM 233 CA LEU A 24 106.189 9.070 -1.019 1.00 0.00 C ATOM 234 C LEU A 24 107.677 9.378 -1.019 1.00 0.00 C ATOM 235 O LEU A 24 108.246 9.729 0.015 1.00 0.00 O ATOM 236 CB LEU A 24 105.955 7.648 -0.510 1.00 0.00 C ATOM 237 CG LEU A 24 105.934 6.558 -1.587 1.00 0.00 C ATOM 238 CD1 LEU A 24 107.027 5.537 -1.343 1.00 0.00 C ATOM 239 CD2 LEU A 24 104.573 5.887 -1.625 1.00 0.00 C ATOM 0 H LEU A 24 105.948 8.599 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 24 105.702 9.782 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 24 106.735 7.406 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 24 105.006 7.624 0.026 1.00 0.00 H new ATOM 0 HG LEU A 24 106.120 7.025 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 24 106.992 4.774 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 24 107.998 6.032 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 24 106.878 5.070 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 104.570 5.114 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 24 104.363 5.435 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 24 103.808 6.629 -1.853 1.00 0.00 H new ATOM 251 N LEU A 25 108.305 9.242 -2.171 1.00 0.00 N ATOM 252 CA LEU A 25 109.732 9.506 -2.284 1.00 0.00 C ATOM 253 C LEU A 25 110.046 10.980 -2.023 1.00 0.00 C ATOM 254 O LEU A 25 111.208 11.353 -1.860 1.00 0.00 O ATOM 255 CB LEU A 25 110.243 9.080 -3.661 1.00 0.00 C ATOM 256 CG LEU A 25 111.763 9.094 -3.815 1.00 0.00 C ATOM 257 CD1 LEU A 25 112.403 8.243 -2.730 1.00 0.00 C ATOM 258 CD2 LEU A 25 112.165 8.599 -5.197 1.00 0.00 C ATOM 0 H LEU A 25 107.855 8.952 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 25 110.246 8.918 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 25 109.880 8.074 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 25 109.810 9.739 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 25 112.118 10.119 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 25 113.487 8.258 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 25 112.138 8.642 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 25 112.044 7.217 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 25 113.251 8.616 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 111.805 7.580 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 25 111.727 9.246 -5.957 1.00 0.00 H new ATOM 270 N ALA A 26 109.003 11.812 -1.976 1.00 0.00 N ATOM 271 CA ALA A 26 109.164 13.247 -1.724 1.00 0.00 C ATOM 272 C ALA A 26 107.870 14.002 -2.021 1.00 0.00 C ATOM 273 O ALA A 26 107.884 15.055 -2.659 1.00 0.00 O ATOM 274 CB ALA A 26 110.307 13.815 -2.557 1.00 0.00 C ATOM 0 H ALA A 26 108.036 11.516 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 26 109.403 13.376 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 26 110.410 14.881 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 26 111.235 13.306 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 26 110.095 13.665 -3.616 1.00 0.00 H new ATOM 280 N ARG A 27 106.751 13.445 -1.568 1.00 0.00 N ATOM 281 CA ARG A 27 105.442 14.050 -1.796 1.00 0.00 C ATOM 282 C ARG A 27 104.475 13.690 -0.669 1.00 0.00 C ATOM 283 O ARG A 27 104.535 12.584 -0.143 1.00 0.00 O ATOM 284 CB ARG A 27 104.896 13.552 -3.141 1.00 0.00 C ATOM 285 CG ARG A 27 103.471 13.983 -3.454 1.00 0.00 C ATOM 286 CD ARG A 27 102.434 13.063 -2.827 1.00 0.00 C ATOM 287 NE ARG A 27 101.159 13.127 -3.541 1.00 0.00 N ATOM 288 CZ ARG A 27 100.025 12.592 -3.096 1.00 0.00 C ATOM 289 NH1 ARG A 27 99.996 11.946 -1.938 1.00 0.00 N ATOM 290 NH2 ARG A 27 98.915 12.702 -3.813 1.00 0.00 N ATOM 0 H ARG A 27 106.724 12.573 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 27 105.544 15.135 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 27 105.551 13.908 -3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 27 104.942 12.463 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 27 103.315 15.000 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 27 103.329 14.002 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 27 102.804 12.038 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 27 102.283 13.341 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 27 101.138 13.613 -4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 27 100.847 11.857 -1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 27 99.123 11.538 -1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 27 98.931 13.196 -4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 27 98.045 12.292 -3.473 1.00 0.00 H new ATOM 304 N PRO A 28 103.565 14.614 -0.287 1.00 0.00 N ATOM 305 CA PRO A 28 102.571 14.377 0.767 1.00 0.00 C ATOM 306 C PRO A 28 101.979 12.966 0.699 1.00 0.00 C ATOM 307 O PRO A 28 100.837 12.767 0.288 1.00 0.00 O ATOM 308 CB PRO A 28 101.487 15.437 0.490 1.00 0.00 C ATOM 309 CG PRO A 28 101.936 16.180 -0.733 1.00 0.00 C ATOM 310 CD PRO A 28 103.416 15.959 -0.843 1.00 0.00 C ATOM 0 HA PRO A 28 103.007 14.453 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 28 100.516 14.969 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 28 101.377 16.113 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 28 101.421 15.813 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 28 101.707 17.242 -0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 28 103.761 16.014 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 28 103.982 16.699 -0.278 1.00 0.00 H new ATOM 318 N LEU A 29 102.793 12.000 1.101 1.00 0.00 N ATOM 319 CA LEU A 29 102.419 10.588 1.097 1.00 0.00 C ATOM 320 C LEU A 29 101.387 10.256 2.170 1.00 0.00 C ATOM 321 O LEU A 29 101.216 10.992 3.142 1.00 0.00 O ATOM 322 CB LEU A 29 103.660 9.724 1.313 1.00 0.00 C ATOM 323 CG LEU A 29 104.523 10.122 2.516 1.00 0.00 C ATOM 324 CD1 LEU A 29 103.835 9.735 3.815 1.00 0.00 C ATOM 325 CD2 LEU A 29 105.900 9.480 2.425 1.00 0.00 C ATOM 0 H LEU A 29 103.739 12.173 1.442 1.00 0.00 H new ATOM 0 HA LEU A 29 101.970 10.378 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 29 103.346 8.688 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 29 104.275 9.766 0.414 1.00 0.00 H new ATOM 0 HG LEU A 29 104.651 11.204 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 29 104.461 10.025 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 29 102.874 10.245 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 29 103.675 8.657 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 29 106.497 9.775 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 29 105.795 8.395 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 29 106.395 9.809 1.512 1.00 0.00 H new ATOM 337 N PRO A 30 100.679 9.123 1.987 1.00 0.00 N ATOM 338 CA PRO A 30 99.650 8.661 2.913 1.00 0.00 C ATOM 339 C PRO A 30 100.194 8.357 4.295 1.00 0.00 C ATOM 340 O PRO A 30 101.222 8.887 4.714 1.00 0.00 O ATOM 341 CB PRO A 30 99.120 7.373 2.268 1.00 0.00 C ATOM 342 CG PRO A 30 99.542 7.443 0.849 1.00 0.00 C ATOM 343 CD PRO A 30 100.828 8.205 0.849 1.00 0.00 C ATOM 0 HA PRO A 30 98.889 9.427 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 30 99.531 6.490 2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 30 98.035 7.308 2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 30 99.677 6.446 0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 30 98.789 7.944 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 30 101.686 7.545 0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 30 100.975 8.745 -0.086 1.00 0.00 H new ATOM 351 N GLU A 31 99.483 7.489 4.988 1.00 0.00 N ATOM 352 CA GLU A 31 99.865 7.077 6.332 1.00 0.00 C ATOM 353 C GLU A 31 100.346 5.641 6.339 1.00 0.00 C ATOM 354 O GLU A 31 101.349 5.328 6.981 1.00 0.00 O ATOM 355 CB GLU A 31 98.704 7.259 7.312 1.00 0.00 C ATOM 356 CG GLU A 31 99.047 6.868 8.740 1.00 0.00 C ATOM 357 CD GLU A 31 99.959 7.873 9.417 1.00 0.00 C ATOM 358 OE1 GLU A 31 101.127 7.995 8.992 1.00 0.00 O ATOM 359 OE2 GLU A 31 99.504 8.538 10.371 1.00 0.00 O ATOM 0 H GLU A 31 98.630 7.050 4.642 1.00 0.00 H new ATOM 0 HA GLU A 31 100.687 7.715 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 31 98.386 8.301 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 31 97.857 6.662 6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 98.127 6.771 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.528 5.890 8.739 1.00 0.00 H new ATOM 366 N GLY A 32 99.664 4.769 5.595 1.00 0.00 N ATOM 367 CA GLY A 32 100.106 3.388 5.521 1.00 0.00 C ATOM 368 C GLY A 32 101.591 3.343 5.235 1.00 0.00 C ATOM 369 O GLY A 32 102.300 2.427 5.653 1.00 0.00 O ATOM 0 H GLY A 32 98.829 4.990 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 32 99.891 2.876 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 32 99.559 2.862 4.738 1.00 0.00 H new ATOM 373 N VAL A 33 102.055 4.387 4.549 1.00 0.00 N ATOM 374 CA VAL A 33 103.453 4.549 4.220 1.00 0.00 C ATOM 375 C VAL A 33 104.212 5.003 5.465 1.00 0.00 C ATOM 376 O VAL A 33 104.056 6.138 5.917 1.00 0.00 O ATOM 377 CB VAL A 33 103.618 5.589 3.078 1.00 0.00 C ATOM 378 CG1 VAL A 33 104.669 6.645 3.394 1.00 0.00 C ATOM 379 CG2 VAL A 33 103.944 4.902 1.768 1.00 0.00 C ATOM 0 H VAL A 33 101.461 5.143 4.208 1.00 0.00 H new ATOM 0 HA VAL A 33 103.858 3.597 3.877 1.00 0.00 H new ATOM 0 HB VAL A 33 102.662 6.103 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 33 104.743 7.345 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 33 104.383 7.184 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 33 105.634 6.163 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 33 104.055 5.650 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 33 104.874 4.344 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 33 103.137 4.217 1.506 1.00 0.00 H new ATOM 389 N ASP A 34 105.021 4.118 6.027 1.00 0.00 N ATOM 390 CA ASP A 34 105.779 4.460 7.218 1.00 0.00 C ATOM 391 C ASP A 34 107.085 5.146 6.822 1.00 0.00 C ATOM 392 O ASP A 34 107.793 4.675 5.932 1.00 0.00 O ATOM 393 CB ASP A 34 106.066 3.212 8.059 1.00 0.00 C ATOM 394 CG ASP A 34 104.946 2.191 7.994 1.00 0.00 C ATOM 395 OD1 ASP A 34 103.790 2.593 7.746 1.00 0.00 O ATOM 396 OD2 ASP A 34 105.225 0.989 8.191 1.00 0.00 O ATOM 0 H ASP A 34 105.168 3.169 5.682 1.00 0.00 H new ATOM 0 HA ASP A 34 105.185 5.145 7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 34 106.992 2.752 7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 34 106.224 3.507 9.097 1.00 0.00 H new ATOM 401 N PRO A 35 107.416 6.280 7.462 1.00 0.00 N ATOM 402 CA PRO A 35 108.634 7.031 7.147 1.00 0.00 C ATOM 403 C PRO A 35 109.904 6.365 7.670 1.00 0.00 C ATOM 404 O PRO A 35 110.945 6.401 7.015 1.00 0.00 O ATOM 405 CB PRO A 35 108.407 8.371 7.846 1.00 0.00 C ATOM 406 CG PRO A 35 107.512 8.050 8.992 1.00 0.00 C ATOM 407 CD PRO A 35 106.624 6.929 8.525 1.00 0.00 C ATOM 0 HA PRO A 35 108.791 7.107 6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 35 109.347 8.805 8.187 1.00 0.00 H new ATOM 0 HB3 PRO A 35 107.947 9.096 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 35 108.090 7.751 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 35 106.922 8.920 9.282 1.00 0.00 H new ATOM 0 HD2 PRO A 35 106.394 6.236 9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 35 105.673 7.302 8.145 1.00 0.00 H new ATOM 415 N LEU A 36 109.821 5.767 8.855 1.00 0.00 N ATOM 416 CA LEU A 36 110.978 5.111 9.454 1.00 0.00 C ATOM 417 C LEU A 36 111.542 4.036 8.528 1.00 0.00 C ATOM 418 O LEU A 36 112.727 3.711 8.595 1.00 0.00 O ATOM 419 CB LEU A 36 110.639 4.530 10.840 1.00 0.00 C ATOM 420 CG LEU A 36 109.674 3.337 10.873 1.00 0.00 C ATOM 421 CD1 LEU A 36 108.365 3.673 10.179 1.00 0.00 C ATOM 422 CD2 LEU A 36 110.310 2.107 10.249 1.00 0.00 C ATOM 0 H LEU A 36 108.970 5.723 9.416 1.00 0.00 H new ATOM 0 HA LEU A 36 111.750 5.868 9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 36 111.570 4.227 11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 36 110.213 5.328 11.448 1.00 0.00 H new ATOM 0 HG LEU A 36 109.456 3.115 11.918 1.00 0.00 H new ATOM 0 HD11 LEU A 36 107.701 2.810 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 36 107.893 4.517 10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 36 108.561 3.934 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 36 109.606 1.276 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 36 110.570 2.318 9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 36 111.211 1.843 10.802 1.00 0.00 H new ATOM 434 N LYS A 37 110.698 3.502 7.648 1.00 0.00 N ATOM 435 CA LYS A 37 111.141 2.486 6.701 1.00 0.00 C ATOM 436 C LYS A 37 110.208 2.410 5.494 1.00 0.00 C ATOM 437 O LYS A 37 109.045 2.024 5.610 1.00 0.00 O ATOM 438 CB LYS A 37 111.276 1.116 7.380 1.00 0.00 C ATOM 439 CG LYS A 37 109.968 0.351 7.514 1.00 0.00 C ATOM 440 CD LYS A 37 110.002 -0.602 8.698 1.00 0.00 C ATOM 441 CE LYS A 37 108.629 -0.753 9.335 1.00 0.00 C ATOM 442 NZ LYS A 37 108.323 -2.173 9.663 1.00 0.00 N ATOM 0 H LYS A 37 109.713 3.754 7.572 1.00 0.00 H new ATOM 0 HA LYS A 37 112.127 2.779 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 37 111.981 0.510 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 37 111.704 1.256 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 37 109.144 1.054 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 37 109.777 -0.210 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 37 110.361 -1.578 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 37 110.710 -0.235 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 37 108.582 -0.152 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 37 107.869 -0.365 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 107.501 -2.213 10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 108.109 -2.693 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 109.145 -2.606 10.131 1.00 0.00 H new ATOM 456 N LEU A 38 110.732 2.802 4.337 1.00 0.00 N ATOM 457 CA LEU A 38 109.964 2.805 3.097 1.00 0.00 C ATOM 458 C LEU A 38 110.044 1.467 2.362 1.00 0.00 C ATOM 459 O LEU A 38 109.161 1.132 1.572 1.00 0.00 O ATOM 460 CB LEU A 38 110.470 3.924 2.183 1.00 0.00 C ATOM 461 CG LEU A 38 110.658 5.292 2.854 1.00 0.00 C ATOM 462 CD1 LEU A 38 110.611 6.405 1.817 1.00 0.00 C ATOM 463 CD2 LEU A 38 109.607 5.524 3.936 1.00 0.00 C ATOM 0 H LEU A 38 111.694 3.124 4.233 1.00 0.00 H new ATOM 0 HA LEU A 38 108.919 2.973 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 38 111.423 3.615 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 38 109.770 4.038 1.356 1.00 0.00 H new ATOM 0 HG LEU A 38 111.638 5.301 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 38 110.746 7.368 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 38 111.407 6.256 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 38 109.646 6.389 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 38 109.765 6.501 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 38 108.613 5.489 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 38 109.691 4.749 4.697 1.00 0.00 H new ATOM 475 N GLU A 39 111.114 0.720 2.605 1.00 0.00 N ATOM 476 CA GLU A 39 111.321 -0.567 1.942 1.00 0.00 C ATOM 477 C GLU A 39 110.264 -1.612 2.317 1.00 0.00 C ATOM 478 O GLU A 39 110.272 -2.718 1.776 1.00 0.00 O ATOM 479 CB GLU A 39 112.716 -1.104 2.270 1.00 0.00 C ATOM 480 CG GLU A 39 112.888 -1.506 3.726 1.00 0.00 C ATOM 481 CD GLU A 39 113.558 -2.858 3.882 1.00 0.00 C ATOM 482 OE1 GLU A 39 112.938 -3.874 3.504 1.00 0.00 O ATOM 483 OE2 GLU A 39 114.702 -2.900 4.382 1.00 0.00 O ATOM 0 H GLU A 39 111.854 0.981 3.257 1.00 0.00 H new ATOM 0 HA GLU A 39 111.227 -0.388 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 39 112.922 -1.967 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 39 113.456 -0.343 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 39 113.480 -0.749 4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 39 111.912 -1.530 4.210 1.00 0.00 H new ATOM 490 N ILE A 40 109.366 -1.280 3.241 1.00 0.00 N ATOM 491 CA ILE A 40 108.336 -2.228 3.660 1.00 0.00 C ATOM 492 C ILE A 40 106.986 -1.967 2.988 1.00 0.00 C ATOM 493 O ILE A 40 106.009 -2.657 3.278 1.00 0.00 O ATOM 494 CB ILE A 40 108.139 -2.212 5.189 1.00 0.00 C ATOM 495 CG1 ILE A 40 107.619 -0.848 5.652 1.00 0.00 C ATOM 496 CG2 ILE A 40 109.442 -2.558 5.893 1.00 0.00 C ATOM 497 CD1 ILE A 40 106.117 -0.699 5.531 1.00 0.00 C ATOM 0 H ILE A 40 109.329 -0.374 3.709 1.00 0.00 H new ATOM 0 HA ILE A 40 108.696 -3.208 3.346 1.00 0.00 H new ATOM 0 HB ILE A 40 107.395 -2.965 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 40 107.909 -0.692 6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.102 -0.066 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 40 109.288 -2.543 6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 40 109.768 -3.552 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.205 -1.827 5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 40 105.821 0.291 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 40 105.822 -0.823 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 40 105.626 -1.458 6.140 1.00 0.00 H new ATOM 509 N TYR A 41 106.920 -0.977 2.100 1.00 0.00 N ATOM 510 CA TYR A 41 105.662 -0.668 1.422 1.00 0.00 C ATOM 511 C TYR A 41 105.837 -0.511 -0.082 1.00 0.00 C ATOM 512 O TYR A 41 104.996 0.096 -0.742 1.00 0.00 O ATOM 513 CB TYR A 41 105.023 0.597 2.008 1.00 0.00 C ATOM 514 CG TYR A 41 105.868 1.859 1.924 1.00 0.00 C ATOM 515 CD1 TYR A 41 106.561 2.209 0.766 1.00 0.00 C ATOM 516 CD2 TYR A 41 105.945 2.719 3.011 1.00 0.00 C ATOM 517 CE1 TYR A 41 107.305 3.372 0.704 1.00 0.00 C ATOM 518 CE2 TYR A 41 106.679 3.886 2.952 1.00 0.00 C ATOM 519 CZ TYR A 41 107.358 4.208 1.799 1.00 0.00 C ATOM 520 OH TYR A 41 108.083 5.377 1.739 1.00 0.00 O ATOM 0 H TYR A 41 107.707 -0.384 1.836 1.00 0.00 H new ATOM 0 HA TYR A 41 105.000 -1.517 1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 41 104.080 0.778 1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 41 104.784 0.410 3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 41 106.516 1.561 -0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 41 105.420 2.470 3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 41 107.842 3.625 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 41 106.720 4.544 3.807 1.00 0.00 H new ATOM 0 HH TYR A 41 107.513 6.129 2.003 1.00 0.00 H new ATOM 530 N LEU A 42 106.923 -1.048 -0.630 1.00 0.00 N ATOM 531 CA LEU A 42 107.163 -0.935 -2.065 1.00 0.00 C ATOM 532 C LEU A 42 107.436 -2.295 -2.690 1.00 0.00 C ATOM 533 O LEU A 42 108.245 -3.070 -2.187 1.00 0.00 O ATOM 534 CB LEU A 42 108.327 0.019 -2.345 1.00 0.00 C ATOM 535 CG LEU A 42 109.427 0.066 -1.278 1.00 0.00 C ATOM 536 CD1 LEU A 42 110.608 -0.796 -1.690 1.00 0.00 C ATOM 537 CD2 LEU A 42 109.873 1.502 -1.038 1.00 0.00 C ATOM 0 H LEU A 42 107.640 -1.557 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 42 106.259 -0.529 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 42 108.781 -0.262 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 42 107.925 1.025 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 42 109.021 -0.331 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 42 111.378 -0.750 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 42 110.280 -1.828 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 42 111.015 -0.430 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 42 110.654 1.518 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 110.261 1.922 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 42 109.024 2.095 -0.698 1.00 0.00 H new ATOM 549 N THR A 43 106.749 -2.572 -3.796 1.00 0.00 N ATOM 550 CA THR A 43 106.912 -3.834 -4.506 1.00 0.00 C ATOM 551 C THR A 43 108.123 -3.780 -5.430 1.00 0.00 C ATOM 552 O THR A 43 108.556 -2.711 -5.828 1.00 0.00 O ATOM 553 CB THR A 43 105.655 -4.162 -5.315 1.00 0.00 C ATOM 554 OG1 THR A 43 105.889 -5.258 -6.181 1.00 0.00 O ATOM 555 CG2 THR A 43 105.167 -3.005 -6.161 1.00 0.00 C ATOM 0 H THR A 43 106.073 -1.936 -4.219 1.00 0.00 H new ATOM 0 HA THR A 43 107.070 -4.619 -3.766 1.00 0.00 H new ATOM 0 HB THR A 43 104.890 -4.398 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 43 105.074 -5.454 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 43 104.274 -3.306 -6.708 1.00 0.00 H new ATOM 0 HG22 THR A 43 104.930 -2.158 -5.517 1.00 0.00 H new ATOM 0 HG23 THR A 43 105.945 -2.717 -6.868 1.00 0.00 H new ATOM 563 N ASP A 44 108.653 -4.953 -5.750 1.00 0.00 N ATOM 564 CA ASP A 44 109.825 -5.112 -6.618 1.00 0.00 C ATOM 565 C ASP A 44 109.949 -3.990 -7.643 1.00 0.00 C ATOM 566 O ASP A 44 111.044 -3.502 -7.899 1.00 0.00 O ATOM 567 CB ASP A 44 109.767 -6.464 -7.331 1.00 0.00 C ATOM 568 CG ASP A 44 108.612 -6.555 -8.309 1.00 0.00 C ATOM 569 OD1 ASP A 44 107.453 -6.643 -7.852 1.00 0.00 O ATOM 570 OD2 ASP A 44 108.866 -6.538 -9.532 1.00 0.00 O ATOM 0 H ASP A 44 108.278 -5.839 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 44 110.707 -5.066 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 44 110.704 -6.631 -7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 44 109.675 -7.258 -6.590 1.00 0.00 H new ATOM 575 N GLU A 45 108.828 -3.573 -8.216 1.00 0.00 N ATOM 576 CA GLU A 45 108.848 -2.489 -9.189 1.00 0.00 C ATOM 577 C GLU A 45 109.263 -1.202 -8.494 1.00 0.00 C ATOM 578 O GLU A 45 110.212 -0.533 -8.902 1.00 0.00 O ATOM 579 CB GLU A 45 107.475 -2.313 -9.822 1.00 0.00 C ATOM 580 CG GLU A 45 107.146 -3.360 -10.873 1.00 0.00 C ATOM 581 CD GLU A 45 105.922 -2.999 -11.692 1.00 0.00 C ATOM 582 OE1 GLU A 45 105.121 -2.162 -11.226 1.00 0.00 O ATOM 583 OE2 GLU A 45 105.764 -3.554 -12.800 1.00 0.00 O ATOM 0 H GLU A 45 107.904 -3.963 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 45 109.562 -2.731 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 45 106.717 -2.347 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 45 107.419 -1.324 -10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 45 108.001 -3.483 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 45 106.982 -4.321 -10.385 1.00 0.00 H new ATOM 590 N ASP A 46 108.557 -0.889 -7.414 1.00 0.00 N ATOM 591 CA ASP A 46 108.846 0.281 -6.614 1.00 0.00 C ATOM 592 C ASP A 46 110.193 0.091 -5.930 1.00 0.00 C ATOM 593 O ASP A 46 111.003 1.012 -5.837 1.00 0.00 O ATOM 594 CB ASP A 46 107.740 0.457 -5.578 1.00 0.00 C ATOM 595 CG ASP A 46 107.938 1.688 -4.720 1.00 0.00 C ATOM 596 OD1 ASP A 46 109.063 1.885 -4.214 1.00 0.00 O ATOM 597 OD2 ASP A 46 106.968 2.457 -4.553 1.00 0.00 O ATOM 0 H ASP A 46 107.770 -1.442 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 46 108.890 1.172 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 46 106.778 0.524 -6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 46 107.702 -0.425 -4.939 1.00 0.00 H new ATOM 602 N PHE A 47 110.419 -1.138 -5.480 1.00 0.00 N ATOM 603 CA PHE A 47 111.657 -1.522 -4.827 1.00 0.00 C ATOM 604 C PHE A 47 112.813 -1.358 -5.796 1.00 0.00 C ATOM 605 O PHE A 47 113.896 -0.908 -5.425 1.00 0.00 O ATOM 606 CB PHE A 47 111.567 -2.985 -4.378 1.00 0.00 C ATOM 607 CG PHE A 47 111.784 -3.192 -2.909 1.00 0.00 C ATOM 608 CD1 PHE A 47 112.922 -2.713 -2.283 1.00 0.00 C ATOM 609 CD2 PHE A 47 110.837 -3.859 -2.152 1.00 0.00 C ATOM 610 CE1 PHE A 47 113.112 -2.899 -0.926 1.00 0.00 C ATOM 611 CE2 PHE A 47 111.018 -4.044 -0.797 1.00 0.00 C ATOM 612 CZ PHE A 47 112.156 -3.565 -0.183 1.00 0.00 C ATOM 0 H PHE A 47 109.743 -1.897 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 47 111.821 -0.886 -3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 47 110.586 -3.376 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 47 112.305 -3.568 -4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.669 -2.189 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 47 109.945 -4.239 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 47 114.005 -2.525 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 47 110.269 -4.564 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 47 112.300 -3.710 0.877 1.00 0.00 H new ATOM 622 N GLU A 48 112.568 -1.741 -7.045 1.00 0.00 N ATOM 623 CA GLU A 48 113.591 -1.652 -8.083 1.00 0.00 C ATOM 624 C GLU A 48 113.948 -0.200 -8.398 1.00 0.00 C ATOM 625 O GLU A 48 115.120 0.137 -8.559 1.00 0.00 O ATOM 626 CB GLU A 48 113.121 -2.359 -9.356 1.00 0.00 C ATOM 627 CG GLU A 48 113.506 -3.829 -9.411 1.00 0.00 C ATOM 628 CD GLU A 48 113.969 -4.258 -10.789 1.00 0.00 C ATOM 629 OE1 GLU A 48 114.762 -3.517 -11.407 1.00 0.00 O ATOM 630 OE2 GLU A 48 113.538 -5.335 -11.252 1.00 0.00 O ATOM 0 H GLU A 48 111.674 -2.115 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 48 114.486 -2.146 -7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 48 112.037 -2.272 -9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 48 113.542 -1.849 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 48 114.300 -4.020 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 48 112.651 -4.436 -9.113 1.00 0.00 H new ATOM 637 N PHE A 49 112.936 0.653 -8.500 1.00 0.00 N ATOM 638 CA PHE A 49 113.158 2.062 -8.813 1.00 0.00 C ATOM 639 C PHE A 49 113.454 2.886 -7.561 1.00 0.00 C ATOM 640 O PHE A 49 113.929 4.018 -7.657 1.00 0.00 O ATOM 641 CB PHE A 49 111.940 2.640 -9.534 1.00 0.00 C ATOM 642 CG PHE A 49 112.264 3.821 -10.403 1.00 0.00 C ATOM 643 CD1 PHE A 49 112.661 3.641 -11.718 1.00 0.00 C ATOM 644 CD2 PHE A 49 112.173 5.111 -9.904 1.00 0.00 C ATOM 645 CE1 PHE A 49 112.961 4.726 -12.520 1.00 0.00 C ATOM 646 CE2 PHE A 49 112.472 6.199 -10.701 1.00 0.00 C ATOM 647 CZ PHE A 49 112.866 6.007 -12.011 1.00 0.00 C ATOM 0 H PHE A 49 111.957 0.397 -8.371 1.00 0.00 H new ATOM 0 HA PHE A 49 114.031 2.117 -9.463 1.00 0.00 H new ATOM 0 HB2 PHE A 49 111.487 1.861 -10.147 1.00 0.00 H new ATOM 0 HB3 PHE A 49 111.196 2.936 -8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 49 112.737 2.642 -12.121 1.00 0.00 H new ATOM 0 HD2 PHE A 49 111.865 5.267 -8.881 1.00 0.00 H new ATOM 0 HE1 PHE A 49 113.269 4.573 -13.544 1.00 0.00 H new ATOM 0 HE2 PHE A 49 112.398 7.199 -10.300 1.00 0.00 H new ATOM 0 HZ PHE A 49 113.099 6.856 -12.636 1.00 0.00 H new ATOM 657 N ALA A 50 113.164 2.328 -6.390 1.00 0.00 N ATOM 658 CA ALA A 50 113.395 3.036 -5.136 1.00 0.00 C ATOM 659 C ALA A 50 114.681 2.582 -4.449 1.00 0.00 C ATOM 660 O ALA A 50 115.450 3.404 -3.952 1.00 0.00 O ATOM 661 CB ALA A 50 112.208 2.852 -4.203 1.00 0.00 C ATOM 0 H ALA A 50 112.771 1.393 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 50 113.508 4.094 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 50 112.392 3.385 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 50 111.309 3.248 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 50 112.071 1.791 -3.994 1.00 0.00 H new ATOM 667 N LEU A 51 114.900 1.273 -4.402 1.00 0.00 N ATOM 668 CA LEU A 51 116.085 0.721 -3.750 1.00 0.00 C ATOM 669 C LEU A 51 116.909 -0.163 -4.682 1.00 0.00 C ATOM 670 O LEU A 51 118.010 -0.585 -4.330 1.00 0.00 O ATOM 671 CB LEU A 51 115.669 -0.091 -2.527 1.00 0.00 C ATOM 672 CG LEU A 51 115.617 0.689 -1.220 1.00 0.00 C ATOM 673 CD1 LEU A 51 114.688 0.000 -0.234 1.00 0.00 C ATOM 674 CD2 LEU A 51 117.020 0.830 -0.649 1.00 0.00 C ATOM 0 H LEU A 51 114.276 0.575 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 51 116.710 1.564 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 51 114.686 -0.522 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 51 116.364 -0.922 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 51 115.222 1.687 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 51 114.659 0.567 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 51 113.685 -0.055 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 51 115.053 -1.007 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 51 116.978 1.389 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 51 117.438 -0.159 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 51 117.651 1.362 -1.361 1.00 0.00 H new ATOM 686 N ASP A 52 116.372 -0.457 -5.857 1.00 0.00 N ATOM 687 CA ASP A 52 117.062 -1.308 -6.816 1.00 0.00 C ATOM 688 C ASP A 52 117.144 -2.749 -6.312 1.00 0.00 C ATOM 689 O ASP A 52 117.855 -3.571 -6.889 1.00 0.00 O ATOM 690 CB ASP A 52 118.470 -0.772 -7.095 1.00 0.00 C ATOM 691 CG ASP A 52 118.480 0.722 -7.351 1.00 0.00 C ATOM 692 OD1 ASP A 52 118.576 1.492 -6.371 1.00 0.00 O ATOM 693 OD2 ASP A 52 118.391 1.123 -8.530 1.00 0.00 O ATOM 0 H ASP A 52 115.462 -0.119 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 52 116.489 -1.298 -7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 52 119.116 -0.997 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 52 118.888 -1.289 -7.959 1.00 0.00 H new ATOM 698 N MET A 53 116.398 -3.063 -5.249 1.00 0.00 N ATOM 699 CA MET A 53 116.390 -4.422 -4.710 1.00 0.00 C ATOM 700 C MET A 53 114.960 -4.951 -4.629 1.00 0.00 C ATOM 701 O MET A 53 114.080 -4.448 -5.323 1.00 0.00 O ATOM 702 CB MET A 53 117.077 -4.479 -3.346 1.00 0.00 C ATOM 703 CG MET A 53 118.218 -5.485 -3.305 1.00 0.00 C ATOM 704 SD MET A 53 119.766 -4.803 -3.929 1.00 0.00 S ATOM 705 CE MET A 53 120.824 -6.246 -3.860 1.00 0.00 C ATOM 0 H MET A 53 115.800 -2.403 -4.752 1.00 0.00 H new ATOM 0 HA MET A 53 116.955 -5.063 -5.387 1.00 0.00 H new ATOM 0 HB2 MET A 53 117.461 -3.490 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 53 116.342 -4.738 -2.584 1.00 0.00 H new ATOM 0 HG2 MET A 53 118.362 -5.824 -2.279 1.00 0.00 H new ATOM 0 HG3 MET A 53 117.947 -6.361 -3.895 1.00 0.00 H new ATOM 0 HE1 MET A 53 121.781 -6.018 -4.330 1.00 0.00 H new ATOM 0 HE2 MET A 53 120.988 -6.527 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 53 120.348 -7.072 -4.388 1.00 0.00 H new ATOM 715 N THR A 54 114.719 -5.970 -3.800 1.00 0.00 N ATOM 716 CA THR A 54 113.379 -6.529 -3.681 1.00 0.00 C ATOM 717 C THR A 54 113.004 -6.743 -2.223 1.00 0.00 C ATOM 718 O THR A 54 113.873 -6.878 -1.362 1.00 0.00 O ATOM 719 CB THR A 54 113.278 -7.851 -4.447 1.00 0.00 C ATOM 720 OG1 THR A 54 113.768 -8.925 -3.666 1.00 0.00 O ATOM 721 CG2 THR A 54 114.043 -7.848 -5.755 1.00 0.00 C ATOM 0 H THR A 54 115.424 -6.415 -3.212 1.00 0.00 H new ATOM 0 HA THR A 54 112.680 -5.814 -4.115 1.00 0.00 H new ATOM 0 HB THR A 54 112.217 -7.974 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 54 113.693 -9.760 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.929 -8.815 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 54 113.652 -7.064 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.099 -7.664 -5.558 1.00 0.00 H new ATOM 729 N ARG A 55 111.707 -6.798 -1.953 1.00 0.00 N ATOM 730 CA ARG A 55 111.229 -7.027 -0.598 1.00 0.00 C ATOM 731 C ARG A 55 111.710 -8.386 -0.105 1.00 0.00 C ATOM 732 O ARG A 55 111.902 -8.592 1.090 1.00 0.00 O ATOM 733 CB ARG A 55 109.702 -6.959 -0.549 1.00 0.00 C ATOM 734 CG ARG A 55 109.147 -6.757 0.851 1.00 0.00 C ATOM 735 CD ARG A 55 107.639 -6.567 0.830 1.00 0.00 C ATOM 736 NE ARG A 55 107.153 -5.905 2.039 1.00 0.00 N ATOM 737 CZ ARG A 55 105.870 -5.847 2.387 1.00 0.00 C ATOM 738 NH1 ARG A 55 104.941 -6.411 1.624 1.00 0.00 N ATOM 739 NH2 ARG A 55 105.513 -5.224 3.502 1.00 0.00 N ATOM 0 H ARG A 55 110.971 -6.688 -2.651 1.00 0.00 H new ATOM 0 HA ARG A 55 111.629 -6.248 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 55 109.362 -6.143 -1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 55 109.292 -7.880 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 55 109.398 -7.618 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 55 109.618 -5.887 1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 55 107.360 -5.977 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 55 107.153 -7.537 0.728 1.00 0.00 H new ATOM 0 HE ARG A 55 107.837 -5.462 2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 55 105.209 -6.892 0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 55 103.959 -6.363 1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 55 106.222 -4.789 4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 55 104.530 -5.179 3.769 1.00 0.00 H new ATOM 753 N ASP A 56 111.908 -9.305 -1.047 1.00 0.00 N ATOM 754 CA ASP A 56 112.372 -10.652 -0.737 1.00 0.00 C ATOM 755 C ASP A 56 113.899 -10.740 -0.767 1.00 0.00 C ATOM 756 O ASP A 56 114.473 -11.757 -0.380 1.00 0.00 O ATOM 757 CB ASP A 56 111.773 -11.658 -1.722 1.00 0.00 C ATOM 758 CG ASP A 56 110.257 -11.634 -1.722 1.00 0.00 C ATOM 759 OD1 ASP A 56 109.679 -10.623 -1.272 1.00 0.00 O ATOM 760 OD2 ASP A 56 109.648 -12.627 -2.172 1.00 0.00 O ATOM 0 H ASP A 56 111.752 -9.137 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 56 112.040 -10.893 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 56 112.137 -11.440 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 56 112.118 -12.660 -1.468 1.00 0.00 H new ATOM 765 N GLU A 57 114.555 -9.669 -1.213 1.00 0.00 N ATOM 766 CA GLU A 57 116.010 -9.638 -1.271 1.00 0.00 C ATOM 767 C GLU A 57 116.526 -8.978 -0.014 1.00 0.00 C ATOM 768 O GLU A 57 117.286 -9.563 0.758 1.00 0.00 O ATOM 769 CB GLU A 57 116.482 -8.860 -2.499 1.00 0.00 C ATOM 770 CG GLU A 57 117.968 -9.011 -2.781 1.00 0.00 C ATOM 771 CD GLU A 57 118.247 -9.907 -3.971 1.00 0.00 C ATOM 772 OE1 GLU A 57 117.814 -9.559 -5.090 1.00 0.00 O ATOM 773 OE2 GLU A 57 118.898 -10.956 -3.785 1.00 0.00 O ATOM 0 H GLU A 57 114.101 -8.815 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 57 116.394 -10.655 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 57 115.919 -9.196 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 57 116.253 -7.804 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 57 118.402 -8.027 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 57 118.462 -9.420 -1.899 1.00 0.00 H new ATOM 780 N TYR A 58 116.058 -7.761 0.195 1.00 0.00 N ATOM 781 CA TYR A 58 116.405 -6.996 1.371 1.00 0.00 C ATOM 782 C TYR A 58 115.928 -7.740 2.605 1.00 0.00 C ATOM 783 O TYR A 58 116.544 -7.674 3.669 1.00 0.00 O ATOM 784 CB TYR A 58 115.735 -5.631 1.291 1.00 0.00 C ATOM 785 CG TYR A 58 116.611 -4.564 0.677 1.00 0.00 C ATOM 786 CD1 TYR A 58 117.657 -4.903 -0.171 1.00 0.00 C ATOM 787 CD2 TYR A 58 116.396 -3.222 0.949 1.00 0.00 C ATOM 788 CE1 TYR A 58 118.463 -3.934 -0.730 1.00 0.00 C ATOM 789 CE2 TYR A 58 117.199 -2.248 0.392 1.00 0.00 C ATOM 790 CZ TYR A 58 118.231 -2.610 -0.446 1.00 0.00 C ATOM 791 OH TYR A 58 119.031 -1.645 -1.006 1.00 0.00 O ATOM 0 H TYR A 58 115.428 -7.279 -0.446 1.00 0.00 H new ATOM 0 HA TYR A 58 117.485 -6.862 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 58 114.819 -5.718 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 58 115.444 -5.318 2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 58 117.842 -5.943 -0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 58 115.589 -2.935 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 58 119.272 -4.214 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 58 117.019 -1.206 0.612 1.00 0.00 H new ATOM 0 HH TYR A 58 118.650 -1.361 -1.863 1.00 0.00 H new ATOM 801 N ASN A 59 114.821 -8.455 2.446 1.00 0.00 N ATOM 802 CA ASN A 59 114.245 -9.228 3.547 1.00 0.00 C ATOM 803 C ASN A 59 115.297 -10.110 4.221 1.00 0.00 C ATOM 804 O ASN A 59 115.202 -10.401 5.413 1.00 0.00 O ATOM 805 CB ASN A 59 113.092 -10.102 3.047 1.00 0.00 C ATOM 806 CG ASN A 59 111.745 -9.637 3.570 1.00 0.00 C ATOM 807 OD1 ASN A 59 110.886 -10.449 3.913 1.00 0.00 O ATOM 808 ND2 ASN A 59 111.553 -8.324 3.632 1.00 0.00 N ATOM 0 H ASN A 59 114.303 -8.518 1.569 1.00 0.00 H new ATOM 0 HA ASN A 59 113.868 -8.516 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 59 113.079 -10.093 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 59 113.262 -11.134 3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 59 110.666 -7.954 3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 59 112.292 -7.686 3.337 1.00 0.00 H new ATOM 815 N ALA A 60 116.291 -10.544 3.450 1.00 0.00 N ATOM 816 CA ALA A 60 117.345 -11.405 3.980 1.00 0.00 C ATOM 817 C ALA A 60 118.670 -10.660 4.120 1.00 0.00 C ATOM 818 O ALA A 60 119.465 -10.957 5.012 1.00 0.00 O ATOM 819 CB ALA A 60 117.520 -12.627 3.091 1.00 0.00 C ATOM 0 H ALA A 60 116.389 -10.315 2.461 1.00 0.00 H new ATOM 0 HA ALA A 60 117.041 -11.725 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 60 118.308 -13.262 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 60 116.586 -13.187 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 60 117.791 -12.309 2.084 1.00 0.00 H new ATOM 825 N LEU A 61 118.907 -9.698 3.236 1.00 0.00 N ATOM 826 CA LEU A 61 120.142 -8.921 3.267 1.00 0.00 C ATOM 827 C LEU A 61 120.280 -8.173 4.591 1.00 0.00 C ATOM 828 O LEU A 61 119.325 -8.082 5.363 1.00 0.00 O ATOM 829 CB LEU A 61 120.171 -7.934 2.100 1.00 0.00 C ATOM 830 CG LEU A 61 120.896 -8.433 0.848 1.00 0.00 C ATOM 831 CD1 LEU A 61 120.215 -7.910 -0.407 1.00 0.00 C ATOM 832 CD2 LEU A 61 122.359 -8.016 0.874 1.00 0.00 C ATOM 0 H LEU A 61 118.262 -9.437 2.490 1.00 0.00 H new ATOM 0 HA LEU A 61 120.982 -9.609 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 61 119.145 -7.682 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 61 120.648 -7.013 2.435 1.00 0.00 H new ATOM 0 HG LEU A 61 120.850 -9.522 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 61 120.744 -8.275 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.183 -8.259 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 61 120.229 -6.820 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 61 122.857 -8.380 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 61 122.427 -6.929 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 61 122.843 -8.440 1.754 1.00 0.00 H new ATOM 844 N PRO A 62 121.474 -7.621 4.874 1.00 0.00 N ATOM 845 CA PRO A 62 121.721 -6.879 6.113 1.00 0.00 C ATOM 846 C PRO A 62 120.690 -5.782 6.334 1.00 0.00 C ATOM 847 O PRO A 62 119.993 -5.380 5.403 1.00 0.00 O ATOM 848 CB PRO A 62 123.105 -6.266 5.901 1.00 0.00 C ATOM 849 CG PRO A 62 123.766 -7.139 4.894 1.00 0.00 C ATOM 850 CD PRO A 62 122.669 -7.674 4.012 1.00 0.00 C ATOM 0 HA PRO A 62 121.659 -7.523 6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 62 123.031 -5.239 5.544 1.00 0.00 H new ATOM 0 HB3 PRO A 62 123.671 -6.240 6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 62 124.494 -6.576 4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 62 124.306 -7.952 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 62 122.544 -7.067 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 62 122.880 -8.691 3.682 1.00 0.00 H new ATOM 858 N ALA A 63 120.598 -5.301 7.568 1.00 0.00 N ATOM 859 CA ALA A 63 119.651 -4.248 7.908 1.00 0.00 C ATOM 860 C ALA A 63 120.262 -2.864 7.701 1.00 0.00 C ATOM 861 O ALA A 63 119.548 -1.887 7.474 1.00 0.00 O ATOM 862 CB ALA A 63 119.183 -4.407 9.347 1.00 0.00 C ATOM 0 H ALA A 63 121.168 -5.624 8.350 1.00 0.00 H new ATOM 0 HA ALA A 63 118.793 -4.339 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 63 118.476 -3.614 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 63 118.697 -5.376 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 63 120.040 -4.346 10.017 1.00 0.00 H new ATOM 868 N TRP A 64 121.586 -2.787 7.759 1.00 0.00 N ATOM 869 CA TRP A 64 122.284 -1.543 7.569 1.00 0.00 C ATOM 870 C TRP A 64 122.623 -1.389 6.099 1.00 0.00 C ATOM 871 O TRP A 64 122.432 -0.331 5.523 1.00 0.00 O ATOM 872 CB TRP A 64 123.560 -1.515 8.424 1.00 0.00 C ATOM 873 CG TRP A 64 124.791 -1.675 7.599 1.00 0.00 C ATOM 874 CD1 TRP A 64 125.613 -2.757 7.538 1.00 0.00 C ATOM 875 CD2 TRP A 64 125.295 -0.726 6.668 1.00 0.00 C ATOM 876 NE1 TRP A 64 126.615 -2.531 6.621 1.00 0.00 N ATOM 877 CE2 TRP A 64 126.436 -1.284 6.072 1.00 0.00 C ATOM 878 CE3 TRP A 64 124.881 0.550 6.286 1.00 0.00 C ATOM 879 CZ2 TRP A 64 127.168 -0.603 5.103 1.00 0.00 C ATOM 880 CZ3 TRP A 64 125.602 1.221 5.329 1.00 0.00 C ATOM 881 CH2 TRP A 64 126.730 0.647 4.745 1.00 0.00 C ATOM 0 H TRP A 64 122.194 -3.586 7.939 1.00 0.00 H new ATOM 0 HA TRP A 64 121.650 -0.713 7.882 1.00 0.00 H new ATOM 0 HB2 TRP A 64 123.610 -0.573 8.970 1.00 0.00 H new ATOM 0 HB3 TRP A 64 123.516 -2.312 9.167 1.00 0.00 H new ATOM 0 HD1 TRP A 64 125.497 -3.658 8.121 1.00 0.00 H new ATOM 0 HE1 TRP A 64 127.366 -3.181 6.388 1.00 0.00 H new ATOM 0 HE3 TRP A 64 124.009 1.002 6.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 128.046 -1.041 4.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 125.290 2.209 5.024 1.00 0.00 H new ATOM 0 HH2 TRP A 64 127.273 1.200 3.992 1.00 0.00 H new ATOM 892 N LYS A 65 123.134 -2.468 5.502 1.00 0.00 N ATOM 893 CA LYS A 65 123.499 -2.455 4.096 1.00 0.00 C ATOM 894 C LYS A 65 122.260 -2.193 3.266 1.00 0.00 C ATOM 895 O LYS A 65 122.278 -1.382 2.339 1.00 0.00 O ATOM 896 CB LYS A 65 124.153 -3.775 3.687 1.00 0.00 C ATOM 897 CG LYS A 65 125.409 -3.588 2.852 1.00 0.00 C ATOM 898 CD LYS A 65 126.497 -4.572 3.251 1.00 0.00 C ATOM 899 CE LYS A 65 127.882 -4.008 2.983 1.00 0.00 C ATOM 900 NZ LYS A 65 128.901 -5.083 2.828 1.00 0.00 N ATOM 0 H LYS A 65 123.302 -3.356 5.974 1.00 0.00 H new ATOM 0 HA LYS A 65 124.227 -1.662 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 65 124.402 -4.343 4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 65 123.434 -4.369 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 65 125.168 -3.719 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 65 125.777 -2.569 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 65 126.400 -4.814 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 65 126.368 -5.502 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 65 127.857 -3.399 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 65 128.171 -3.350 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 129.832 -4.656 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 128.944 -5.649 3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 128.640 -5.696 2.030 1.00 0.00 H new ATOM 914 N GLN A 66 121.165 -2.853 3.633 1.00 0.00 N ATOM 915 CA GLN A 66 119.910 -2.643 2.941 1.00 0.00 C ATOM 916 C GLN A 66 119.526 -1.182 3.102 1.00 0.00 C ATOM 917 O GLN A 66 119.128 -0.520 2.143 1.00 0.80 O ATOM 918 CB GLN A 66 118.815 -3.567 3.484 1.00 0.00 C ATOM 919 CG GLN A 66 118.372 -3.243 4.902 1.00 0.00 C ATOM 920 CD GLN A 66 117.194 -4.088 5.362 1.00 0.00 C ATOM 921 OE1 GLN A 66 116.354 -3.628 6.135 1.00 0.00 O ATOM 922 NE2 GLN A 66 117.124 -5.332 4.891 1.00 0.00 N ATOM 0 H GLN A 66 121.127 -3.528 4.397 1.00 0.00 H new ATOM 0 HA GLN A 66 120.024 -2.884 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 66 117.949 -3.513 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 66 119.175 -4.595 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 66 119.210 -3.395 5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 66 118.101 -2.189 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 66 117.840 -5.676 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 66 116.354 -5.940 5.170 1.00 0.00 H new ATOM 931 N VAL A 67 119.705 -0.670 4.321 1.00 0.00 N ATOM 932 CA VAL A 67 119.429 0.727 4.596 1.00 0.00 C ATOM 933 C VAL A 67 120.409 1.595 3.811 1.00 0.00 C ATOM 934 O VAL A 67 120.021 2.612 3.236 1.00 0.00 O ATOM 935 CB VAL A 67 119.532 1.048 6.105 1.00 0.00 C ATOM 936 CG1 VAL A 67 119.593 2.551 6.345 1.00 0.00 C ATOM 937 CG2 VAL A 67 118.360 0.435 6.856 1.00 0.00 C ATOM 0 H VAL A 67 120.038 -1.204 5.124 1.00 0.00 H new ATOM 0 HA VAL A 67 118.406 0.940 4.286 1.00 0.00 H new ATOM 0 HB VAL A 67 120.457 0.612 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 67 119.665 2.746 7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 67 120.467 2.965 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 67 118.691 3.019 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 67 118.445 0.669 7.917 1.00 0.00 H new ATOM 0 HG22 VAL A 67 117.426 0.843 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 67 118.367 -0.647 6.721 1.00 0.00 H new ATOM 947 N ASN A 68 121.684 1.178 3.781 1.00 0.00 N ATOM 948 CA ASN A 68 122.715 1.917 3.048 1.00 0.00 C ATOM 949 C ASN A 68 122.186 2.430 1.709 1.00 0.00 C ATOM 950 O ASN A 68 122.468 3.559 1.307 1.00 0.00 O ATOM 951 CB ASN A 68 123.925 1.018 2.795 1.00 0.00 C ATOM 952 CG ASN A 68 125.175 1.811 2.465 1.00 0.00 C ATOM 953 OD1 ASN A 68 125.332 2.952 2.899 1.00 0.00 O ATOM 954 ND2 ASN A 68 126.073 1.209 1.693 1.00 0.00 N ATOM 0 H ASN A 68 122.021 0.339 4.253 1.00 0.00 H new ATOM 0 HA ASN A 68 123.006 2.771 3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 68 124.109 0.405 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 68 123.703 0.337 1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 68 126.933 1.694 1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 68 125.902 0.262 1.355 1.00 0.00 H new ATOM 961 N LEU A 69 121.426 1.584 1.022 1.00 0.00 N ATOM 962 CA LEU A 69 120.865 1.939 -0.275 1.00 0.00 C ATOM 963 C LEU A 69 119.712 2.927 -0.134 1.00 0.00 C ATOM 964 O LEU A 69 119.644 3.915 -0.866 1.00 0.00 O ATOM 965 CB LEU A 69 120.393 0.682 -1.004 1.00 0.00 C ATOM 966 CG LEU A 69 121.318 0.192 -2.119 1.00 0.00 C ATOM 967 CD1 LEU A 69 121.618 1.316 -3.099 1.00 0.00 C ATOM 968 CD2 LEU A 69 122.607 -0.366 -1.534 1.00 0.00 C ATOM 0 H LEU A 69 121.184 0.646 1.343 1.00 0.00 H new ATOM 0 HA LEU A 69 121.649 2.422 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 69 120.273 -0.119 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 69 119.408 0.876 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 69 120.811 -0.607 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 69 122.278 0.947 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 69 120.687 1.670 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 69 122.104 2.137 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 69 123.254 -0.710 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 69 123.117 0.413 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 69 122.375 -1.202 -0.874 1.00 0.00 H new ATOM 980 N LYS A 70 118.804 2.663 0.807 1.00 0.00 N ATOM 981 CA LYS A 70 117.659 3.546 1.025 1.00 0.00 C ATOM 982 C LYS A 70 118.107 5.004 1.070 1.00 0.00 C ATOM 983 O LYS A 70 117.542 5.860 0.390 1.00 0.00 O ATOM 984 CB LYS A 70 116.930 3.190 2.323 1.00 0.00 C ATOM 985 CG LYS A 70 115.711 2.305 2.120 1.00 0.00 C ATOM 986 CD LYS A 70 115.622 1.219 3.182 1.00 0.00 C ATOM 987 CE LYS A 70 116.150 -0.114 2.685 1.00 0.00 C ATOM 988 NZ LYS A 70 116.409 -1.056 3.807 1.00 0.00 N ATOM 0 H LYS A 70 118.839 1.852 1.425 1.00 0.00 H new ATOM 0 HA LYS A 70 116.971 3.410 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 70 117.626 2.685 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 70 116.621 4.110 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 70 114.809 2.916 2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 70 115.755 1.846 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 70 116.187 1.526 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 70 114.584 1.103 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 70 115.430 -0.557 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 70 117.071 0.046 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 116.863 -1.917 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 117.036 -0.603 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 115.509 -1.307 4.264 1.00 0.00 H new ATOM 1002 N LYS A 71 119.136 5.273 1.867 1.00 0.00 N ATOM 1003 CA LYS A 71 119.670 6.622 1.990 1.00 0.00 C ATOM 1004 C LYS A 71 120.238 7.087 0.655 1.00 0.00 C ATOM 1005 O LYS A 71 120.119 8.256 0.289 1.00 0.00 O ATOM 1006 CB LYS A 71 120.753 6.672 3.069 1.00 0.00 C ATOM 1007 CG LYS A 71 120.310 6.089 4.401 1.00 0.00 C ATOM 1008 CD LYS A 71 121.448 6.076 5.408 1.00 0.00 C ATOM 1009 CE LYS A 71 120.930 6.058 6.836 1.00 0.00 C ATOM 1010 NZ LYS A 71 122.038 5.985 7.828 1.00 0.00 N ATOM 0 H LYS A 71 119.615 4.575 2.436 1.00 0.00 H new ATOM 0 HA LYS A 71 118.859 7.290 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 71 121.630 6.129 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 71 121.058 7.708 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 71 119.479 6.673 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 71 119.943 5.073 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 71 122.076 5.202 5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 71 122.076 6.954 5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 71 120.338 6.955 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 71 120.266 5.204 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 121.643 5.975 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 122.588 5.117 7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 122.658 6.813 7.717 1.00 0.00 H new ATOM 1024 N ALA A 72 120.850 6.157 -0.074 1.00 0.00 N ATOM 1025 CA ALA A 72 121.429 6.466 -1.375 1.00 0.00 C ATOM 1026 C ALA A 72 120.365 7.004 -2.326 1.00 0.00 C ATOM 1027 O ALA A 72 120.618 7.930 -3.097 1.00 0.00 O ATOM 1028 CB ALA A 72 122.092 5.230 -1.966 1.00 0.00 C ATOM 0 H ALA A 72 120.957 5.185 0.215 1.00 0.00 H new ATOM 0 HA ALA A 72 122.187 7.238 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 72 122.520 5.476 -2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 72 122.882 4.886 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 72 121.350 4.441 -2.086 1.00 0.00 H new ATOM 1034 N LYS A 73 119.170 6.423 -2.258 1.00 0.00 N ATOM 1035 CA LYS A 73 118.064 6.850 -3.107 1.00 0.00 C ATOM 1036 C LYS A 73 117.255 7.948 -2.423 1.00 0.00 C ATOM 1037 O LYS A 73 116.620 8.769 -3.084 1.00 0.00 O ATOM 1038 CB LYS A 73 117.158 5.663 -3.442 1.00 0.00 C ATOM 1039 CG LYS A 73 116.656 5.670 -4.877 1.00 0.00 C ATOM 1040 CD LYS A 73 117.293 4.560 -5.699 1.00 0.00 C ATOM 1041 CE LYS A 73 118.628 4.993 -6.281 1.00 0.00 C ATOM 1042 NZ LYS A 73 118.930 4.294 -7.561 1.00 0.00 N ATOM 0 H LYS A 73 118.944 5.656 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 73 118.479 7.248 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.704 4.737 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 73 116.303 5.667 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 73 115.572 5.553 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 73 116.875 6.634 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 73 117.436 3.679 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.620 4.271 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 73 118.618 6.070 -6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 73 119.421 4.790 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 119.849 4.618 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 118.965 3.268 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 118.187 4.508 -8.257 1.00 0.00 H new ATOM 1056 N GLY A 74 117.297 7.965 -1.093 1.00 0.00 N ATOM 1057 CA GLY A 74 116.578 8.976 -0.342 1.00 0.00 C ATOM 1058 C GLY A 74 115.263 8.480 0.229 1.00 0.00 C ATOM 1059 O GLY A 74 114.380 9.281 0.537 1.00 0.00 O ATOM 0 H GLY A 74 117.816 7.296 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 74 117.209 9.330 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 74 116.385 9.831 -0.990 1.00 0.00 H new ATOM 1063 N LEU A 75 115.124 7.166 0.382 1.00 0.00 N ATOM 1064 CA LEU A 75 113.895 6.605 0.933 1.00 0.00 C ATOM 1065 C LEU A 75 113.868 6.762 2.448 1.00 0.00 C ATOM 1066 O LEU A 75 113.249 7.692 2.966 1.00 0.00 O ATOM 1067 CB LEU A 75 113.736 5.131 0.551 1.00 0.00 C ATOM 1068 CG LEU A 75 113.382 4.880 -0.917 1.00 0.00 C ATOM 1069 CD1 LEU A 75 113.429 3.392 -1.230 1.00 0.00 C ATOM 1070 CD2 LEU A 75 112.006 5.452 -1.243 1.00 0.00 C ATOM 0 H LEU A 75 115.836 6.478 0.136 1.00 0.00 H new ATOM 0 HA LEU A 75 113.058 7.157 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 75 114.665 4.609 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 75 112.960 4.690 1.177 1.00 0.00 H new ATOM 0 HG LEU A 75 114.120 5.386 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 75 113.175 3.232 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 75 114.432 3.011 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 75 112.714 2.865 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 75 111.773 5.264 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 75 111.255 4.976 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 112.006 6.526 -1.059 1.00 0.00 H new ATOM 1082 N PHE A 76 114.536 5.851 3.160 1.00 0.00 N ATOM 1083 CA PHE A 76 114.570 5.909 4.630 1.00 0.00 C ATOM 1084 C PHE A 76 114.671 7.348 5.134 1.00 0.00 C ATOM 1085 O PHE A 76 113.796 7.759 5.926 1.00 0.00 O ATOM 1086 CB PHE A 76 115.733 5.092 5.198 1.00 0.00 C ATOM 1087 CG PHE A 76 115.284 3.834 5.880 1.00 0.00 C ATOM 1088 CD1 PHE A 76 114.534 2.901 5.192 1.00 0.00 C ATOM 1089 CD2 PHE A 76 115.602 3.589 7.206 1.00 0.00 C ATOM 1090 CE1 PHE A 76 114.110 1.742 5.806 1.00 0.00 C ATOM 1091 CE2 PHE A 76 115.178 2.430 7.830 1.00 0.00 C ATOM 1092 CZ PHE A 76 114.431 1.504 7.128 1.00 0.00 C ATOM 1093 OXT PHE A 76 115.623 8.049 4.734 1.00 0.00 O ATOM 0 H PHE A 76 115.055 5.073 2.753 1.00 0.00 H new ATOM 0 HA PHE A 76 113.631 5.478 4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 76 116.419 4.837 4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 76 116.289 5.705 5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 76 114.276 3.082 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 76 116.187 4.310 7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 76 113.527 1.020 5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 76 115.430 2.249 8.864 1.00 0.00 H new ATOM 0 HZ PHE A 76 114.099 0.597 7.611 1.00 0.00 H new TER 1103 PHE A 76 END