USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) HEADER SIGNALING PROTEIN 06-NOV-01 1KBE TITLE SOLUTION STRUCTURE OF THE CYSTEINE-RICH C1 DOMAIN OF KINASE TITLE 2 SUPPRESSOR OF RAS COMPND MOL_ID: 1; COMPND 2 MOLECULE: KINASE SUPPRESSOR OF RAS; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CYSTEINE-RICH C1 DOMAIN (RESIDUES 330-378); COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: KSR1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-3X KEYWDS KINASE SUPPRESSOR OF RAS, KSR, CYSTEINE-RICH DOMAIN, ZINC- KEYWDS 2 BINDING PROTEIN, SIGNALING PROTEIN EXPDTA SOLUTION NMR AUTHOR M.ZHOU,D.A.HORITA,D.S.WAUGH,R.A.BYRD,D.K.MORRISON REVDAT 2 24-FEB-09 1KBE 1 VERSN REVDAT 1 23-JAN-02 1KBE 0 JRNL AUTH M.ZHOU,D.A.HORITA,D.S.WAUGH,R.A.BYRD,D.K.MORRISON JRNL TITL SOLUTION STRUCTURE AND FUNCTIONAL ANALYSIS OF THE JRNL TITL 2 CYSTEINE-RICH C1 DOMAIN OF KINASE SUPPRESSOR OF JRNL TITL 3 RAS (KSR). JRNL REF J.MOL.BIOL. V. 315 435 2002 JRNL REFN ISSN 0022-2836 JRNL PMID 11786023 JRNL DOI 10.1006/JMBI.2001.5263 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : STEIN ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1KBE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-NOV-01. REMARK 100 THE RCSB ID CODE IS RCSB014775. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG 3.3 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL 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 340 78.34 -158.28 REMARK 500 TRP A 341 -82.77 -57.38 REMARK 500 LEU A 342 -54.07 179.64 REMARK 500 VAL A 348 -69.69 -130.88 REMARK 500 GLN A 350 97.35 44.69 REMARK 500 SER A 352 97.34 -64.61 REMARK 500 MET A 353 178.55 177.88 REMARK 500 HIS A 361 -32.98 65.72 REMARK 500 ARG A 363 87.10 76.81 REMARK 500 HIS A 367 174.34 -44.92 REMARK 500 LYS A 369 -73.60 -151.90 REMARK 500 PRO A 375 -168.34 -75.96 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 1 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 377 SG REMARK 620 2 CYS A 359 SG 64.5 REMARK 620 3 HIS A 334 ND1 103.0 157.5 REMARK 620 4 LYS A 360 O 153.5 89.0 101.4 REMARK 620 5 CYS A 362 SG 95.9 105.4 94.1 92.3 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 2 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 349 SG REMARK 620 2 HIS A 367 ND1 92.3 REMARK 620 3 CYS A 346 SG 110.3 72.2 REMARK 620 4 CYS A 370 SG 119.1 99.7 130.3 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 1 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 2 DBREF 1KBE A 331 378 UNP Q61097 KSR1_MOUSE 331 378 SEQADV 1KBE GLY A 330 UNP Q61097 CLONING ARTIFACT SEQRES 1 A 49 GLY SER VAL THR HIS ARG PHE SER THR LYS SER TRP LEU SEQRES 2 A 49 SER GLN VAL CYS ASN VAL CYS GLN LYS SER MET ILE PHE SEQRES 3 A 49 GLY VAL LYS CYS LYS HIS CYS ARG LEU LYS CYS HIS ASN SEQRES 4 A 49 LYS CYS THR LYS GLU ALA PRO ALA CYS ARG HET ZN A 1 1 HET ZN A 2 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) SHEET 1 A 3 PHE A 336 LYS A 339 0 SHEET 2 A 3 GLY A 356 CYS A 359 -1 O GLY A 356 N LYS A 339 SHEET 3 A 3 LEU A 364 CYS A 366 -1 O LEU A 364 N CYS A 359 SSBOND *** CYS A 359 CYS A 377 1555 1555 2.47 LINK ZN ZN A 1 SG CYS A 377 1555 1555 2.30 LINK ZN ZN A 1 SG CYS A 359 1555 1555 2.32 LINK ZN ZN A 1 ND1 HIS A 334 1555 1555 2.03 LINK ZN ZN A 1 O LYS A 360 1555 1555 2.41 LINK ZN ZN A 1 SG CYS A 362 1555 1555 2.34 LINK ZN ZN A 2 SG CYS A 349 1555 1555 2.30 LINK ZN ZN A 2 ND1 HIS A 367 1555 1555 2.00 LINK ZN ZN A 2 SG CYS A 346 1555 1555 2.32 LINK ZN ZN A 2 SG CYS A 370 1555 1555 2.34 SITE *** AC1 5 HIS A 334 CYS A 359 LYS A 360 CYS A 362 SITE *** AC1 5 CYS A 377 SITE *** AC2 4 CYS A 346 CYS A 349 HIS A 367 CYS A 370 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 NoAdj-H: A 334 HIS HD1 : A 334 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 367 HIS HD1 : A 367 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 369 LYS NZ :NH3+ 145:sc= -0.22 (180deg=-1.22!) USER MOD Set 1.2: A 371 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 331 SER OG : rot 180:sc= -0.297 USER MOD Single : A 333 THR OG1 : rot 41:sc= 0.208 USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot -14:sc= 0.834 USER MOD Single : A 343 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.42) USER MOD Single : A 347 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.6!) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 351 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0461) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 353 MET CE :methyl -126:sc= -0.0159 (180deg=-0.291) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 HIS : no HD1:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 CYS SG : rot 180:sc= -1.43! USER MOD Single : A 368 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.6!) USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 330 88.583 -7.148 -19.488 1.00 0.00 N ATOM 2 CA GLY A 330 87.819 -8.095 -18.630 1.00 0.00 C ATOM 3 C GLY A 330 86.514 -7.505 -18.134 1.00 0.00 C ATOM 4 O GLY A 330 85.525 -7.463 -18.866 1.00 0.00 O ATOM 0 HA2 GLY A 330 87.612 -9.005 -19.194 1.00 0.00 H new ATOM 0 HA3 GLY A 330 88.432 -8.382 -17.776 1.00 0.00 H new ATOM 10 N SER A 331 86.510 -7.048 -16.886 1.00 0.00 N ATOM 11 CA SER A 331 85.316 -6.457 -16.292 1.00 0.00 C ATOM 12 C SER A 331 85.689 -5.449 -15.210 1.00 0.00 C ATOM 13 O SER A 331 86.469 -5.752 -14.307 1.00 0.00 O ATOM 14 CB SER A 331 84.421 -7.548 -15.702 1.00 0.00 C ATOM 15 OG SER A 331 84.482 -8.733 -16.478 1.00 0.00 O ATOM 0 H SER A 331 87.320 -7.075 -16.266 1.00 0.00 H new ATOM 0 HA SER A 331 84.770 -5.935 -17.078 1.00 0.00 H new ATOM 0 HB2 SER A 331 84.731 -7.763 -14.679 1.00 0.00 H new ATOM 0 HB3 SER A 331 83.392 -7.193 -15.655 1.00 0.00 H new ATOM 0 HG SER A 331 83.903 -9.415 -16.079 1.00 0.00 H new ATOM 21 N VAL A 332 85.127 -4.248 -15.308 1.00 0.00 N ATOM 22 CA VAL A 332 85.400 -3.195 -14.338 1.00 0.00 C ATOM 23 C VAL A 332 84.274 -3.085 -13.315 1.00 0.00 C ATOM 24 O VAL A 332 83.991 -2.002 -12.803 1.00 0.00 O ATOM 25 CB VAL A 332 85.587 -1.831 -15.027 1.00 0.00 C ATOM 26 CG1 VAL A 332 86.831 -1.840 -15.903 1.00 0.00 C ATOM 27 CG2 VAL A 332 84.354 -1.471 -15.842 1.00 0.00 C ATOM 0 H VAL A 332 84.480 -3.981 -16.050 1.00 0.00 H new ATOM 0 HA VAL A 332 86.325 -3.466 -13.829 1.00 0.00 H new ATOM 0 HB VAL A 332 85.720 -1.071 -14.257 1.00 0.00 H new ATOM 0 HG11 VAL A 332 86.946 -0.867 -16.381 1.00 0.00 H new ATOM 0 HG12 VAL A 332 87.707 -2.048 -15.289 1.00 0.00 H new ATOM 0 HG13 VAL A 332 86.732 -2.611 -16.667 1.00 0.00 H new ATOM 0 HG21 VAL A 332 84.505 -0.504 -16.322 1.00 0.00 H new ATOM 0 HG22 VAL A 332 84.187 -2.232 -16.604 1.00 0.00 H new ATOM 0 HG23 VAL A 332 83.486 -1.419 -15.185 1.00 0.00 H new ATOM 37 N THR A 333 83.635 -4.213 -13.022 1.00 0.00 N ATOM 38 CA THR A 333 82.540 -4.243 -12.060 1.00 0.00 C ATOM 39 C THR A 333 83.027 -4.719 -10.695 1.00 0.00 C ATOM 40 O THR A 333 83.497 -5.847 -10.551 1.00 0.00 O ATOM 41 CB THR A 333 81.419 -5.156 -12.561 1.00 0.00 C ATOM 42 OG1 THR A 333 81.933 -6.421 -12.937 1.00 0.00 O ATOM 43 CG2 THR A 333 80.674 -4.590 -13.750 1.00 0.00 C ATOM 0 H THR A 333 83.857 -5.118 -13.437 1.00 0.00 H new ATOM 0 HA THR A 333 82.154 -3.229 -11.954 1.00 0.00 H new ATOM 0 HB THR A 333 80.724 -5.245 -11.726 1.00 0.00 H new ATOM 0 HG1 THR A 333 82.605 -6.708 -12.284 1.00 0.00 H new ATOM 0 HG21 THR A 333 79.893 -5.286 -14.055 1.00 0.00 H new ATOM 0 HG22 THR A 333 80.223 -3.636 -13.476 1.00 0.00 H new ATOM 0 HG23 THR A 333 81.369 -4.439 -14.576 1.00 0.00 H new ATOM 51 N HIS A 334 82.912 -3.850 -9.696 1.00 0.00 N ATOM 52 CA HIS A 334 83.340 -4.181 -8.342 1.00 0.00 C ATOM 53 C HIS A 334 82.282 -5.024 -7.637 1.00 0.00 C ATOM 54 O HIS A 334 81.083 -4.806 -7.814 1.00 0.00 O ATOM 55 CB HIS A 334 83.619 -2.903 -7.541 1.00 0.00 C ATOM 56 CG HIS A 334 84.337 -1.847 -8.327 1.00 0.00 C ATOM 57 ND1 HIS A 334 84.461 -0.558 -7.862 1.00 0.00 N ATOM 58 CD2 HIS A 334 84.935 -1.939 -9.541 1.00 0.00 C ATOM 59 CE1 HIS A 334 85.123 0.099 -8.800 1.00 0.00 C ATOM 60 NE2 HIS A 334 85.431 -0.696 -9.834 1.00 0.00 N ATOM 0 H HIS A 334 82.526 -2.911 -9.799 1.00 0.00 H new ATOM 0 HA HIS A 334 84.261 -4.761 -8.406 1.00 0.00 H new ATOM 0 HB2 HIS A 334 82.674 -2.496 -7.181 1.00 0.00 H new ATOM 0 HB3 HIS A 334 84.212 -3.157 -6.663 1.00 0.00 H new ATOM 0 HD2 HIS A 334 85.006 -2.822 -10.158 1.00 0.00 H new ATOM 0 HE1 HIS A 334 85.383 1.146 -8.740 1.00 0.00 H new ATOM 0 HE2 HIS A 334 85.938 -0.427 -10.677 1.00 0.00 H new ATOM 68 N ARG A 335 82.730 -5.992 -6.844 1.00 0.00 N ATOM 69 CA ARG A 335 81.816 -6.870 -6.121 1.00 0.00 C ATOM 70 C ARG A 335 81.555 -6.346 -4.715 1.00 0.00 C ATOM 71 O ARG A 335 82.486 -6.078 -3.955 1.00 0.00 O ATOM 72 CB ARG A 335 82.383 -8.289 -6.055 1.00 0.00 C ATOM 73 CG ARG A 335 81.515 -9.259 -5.269 1.00 0.00 C ATOM 74 CD ARG A 335 81.827 -10.703 -5.628 1.00 0.00 C ATOM 75 NE ARG A 335 81.767 -11.582 -4.462 1.00 0.00 N ATOM 76 CZ ARG A 335 82.723 -11.656 -3.539 1.00 0.00 C ATOM 77 NH1 ARG A 335 83.814 -10.907 -3.642 1.00 0.00 N ATOM 78 NH2 ARG A 335 82.588 -12.482 -2.511 1.00 0.00 N ATOM 0 H ARG A 335 83.718 -6.188 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 335 80.869 -6.891 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 335 82.509 -8.668 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 335 83.374 -8.254 -5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 335 81.672 -9.106 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 335 80.464 -9.052 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 335 81.119 -11.050 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 335 82.820 -10.759 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 335 80.944 -12.174 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 335 83.923 -10.270 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 335 84.543 -10.968 -2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 335 81.752 -13.060 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 335 83.320 -12.539 -1.803 1.00 0.00 H new ATOM 92 N PHE A 336 80.279 -6.196 -4.379 1.00 0.00 N ATOM 93 CA PHE A 336 79.875 -5.704 -3.087 1.00 0.00 C ATOM 94 C PHE A 336 79.597 -6.854 -2.117 1.00 0.00 C ATOM 95 O PHE A 336 79.289 -7.970 -2.534 1.00 0.00 O ATOM 96 CB PHE A 336 78.628 -4.853 -3.275 1.00 0.00 C ATOM 97 CG PHE A 336 78.873 -3.377 -3.159 1.00 0.00 C ATOM 98 CD1 PHE A 336 79.481 -2.851 -2.033 1.00 0.00 C ATOM 99 CD2 PHE A 336 78.496 -2.516 -4.177 1.00 0.00 C ATOM 100 CE1 PHE A 336 79.709 -1.493 -1.921 1.00 0.00 C ATOM 101 CE2 PHE A 336 78.720 -1.157 -4.072 1.00 0.00 C ATOM 102 CZ PHE A 336 79.328 -0.645 -2.943 1.00 0.00 C ATOM 0 H PHE A 336 79.502 -6.415 -5.002 1.00 0.00 H new ATOM 0 HA PHE A 336 80.679 -5.108 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 336 78.201 -5.064 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 336 77.885 -5.147 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 336 79.781 -3.510 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 336 78.022 -2.912 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 336 80.184 -1.095 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 336 78.420 -0.496 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 336 79.506 0.417 -2.859 1.00 0.00 H new ATOM 112 N SER A 337 79.703 -6.568 -0.823 1.00 0.00 N ATOM 113 CA SER A 337 79.458 -7.571 0.211 1.00 0.00 C ATOM 114 C SER A 337 78.438 -7.057 1.222 1.00 0.00 C ATOM 115 O SER A 337 78.110 -5.873 1.230 1.00 0.00 O ATOM 116 CB SER A 337 80.763 -7.933 0.922 1.00 0.00 C ATOM 117 OG SER A 337 81.865 -7.862 0.033 1.00 0.00 O ATOM 0 H SER A 337 79.957 -5.648 -0.464 1.00 0.00 H new ATOM 0 HA SER A 337 79.058 -8.465 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 337 80.924 -7.255 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 337 80.689 -8.939 1.335 1.00 0.00 H new ATOM 0 HG SER A 337 82.687 -8.096 0.512 1.00 0.00 H new ATOM 123 N THR A 338 77.933 -7.947 2.073 1.00 0.00 N ATOM 124 CA THR A 338 76.948 -7.556 3.078 1.00 0.00 C ATOM 125 C THR A 338 77.556 -7.530 4.476 1.00 0.00 C ATOM 126 O THR A 338 78.346 -8.399 4.845 1.00 0.00 O ATOM 127 CB THR A 338 75.744 -8.500 3.059 1.00 0.00 C ATOM 128 OG1 THR A 338 75.136 -8.511 1.779 1.00 0.00 O ATOM 129 CG2 THR A 338 74.679 -8.129 4.073 1.00 0.00 C ATOM 0 H THR A 338 78.187 -8.935 2.087 1.00 0.00 H new ATOM 0 HA THR A 338 76.616 -6.549 2.827 1.00 0.00 H new ATOM 0 HB THR A 338 76.140 -9.483 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 338 74.369 -9.121 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 338 73.853 -8.837 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 338 75.105 -8.159 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 338 74.313 -7.124 3.865 1.00 0.00 H new ATOM 137 N LYS A 339 77.169 -6.522 5.247 1.00 0.00 N ATOM 138 CA LYS A 339 77.648 -6.354 6.610 1.00 0.00 C ATOM 139 C LYS A 339 76.590 -5.653 7.457 1.00 0.00 C ATOM 140 O LYS A 339 75.851 -4.798 6.961 1.00 0.00 O ATOM 141 CB LYS A 339 78.949 -5.549 6.624 1.00 0.00 C ATOM 142 CG LYS A 339 80.197 -6.410 6.517 1.00 0.00 C ATOM 143 CD LYS A 339 80.777 -6.723 7.886 1.00 0.00 C ATOM 144 CE LYS A 339 81.661 -7.959 7.848 1.00 0.00 C ATOM 145 NZ LYS A 339 81.561 -8.752 9.104 1.00 0.00 N ATOM 0 H LYS A 339 76.515 -5.800 4.944 1.00 0.00 H new ATOM 0 HA LYS A 339 77.843 -7.340 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 339 78.936 -4.838 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 339 78.997 -4.967 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 339 79.956 -7.340 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 339 80.944 -5.896 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 339 81.357 -5.871 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 339 79.967 -6.876 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 339 81.376 -8.583 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 339 82.697 -7.660 7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 82.179 -9.586 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 81.857 -8.165 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 80.577 -9.060 9.243 1.00 0.00 H new ATOM 159 N SER A 340 76.520 -6.020 8.731 1.00 0.00 N ATOM 160 CA SER A 340 75.552 -5.427 9.645 1.00 0.00 C ATOM 161 C SER A 340 76.003 -5.595 11.093 1.00 0.00 C ATOM 162 O SER A 340 75.513 -6.468 11.809 1.00 0.00 O ATOM 163 CB SER A 340 74.177 -6.069 9.450 1.00 0.00 C ATOM 164 OG SER A 340 73.687 -5.837 8.140 1.00 0.00 O ATOM 0 H SER A 340 77.122 -6.726 9.155 1.00 0.00 H new ATOM 0 HA SER A 340 75.483 -4.362 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 340 74.244 -7.142 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 340 73.476 -5.665 10.181 1.00 0.00 H new ATOM 0 HG SER A 340 74.216 -5.131 7.713 1.00 0.00 H new ATOM 170 N TRP A 341 76.943 -4.756 11.516 1.00 0.00 N ATOM 171 CA TRP A 341 77.465 -4.815 12.878 1.00 0.00 C ATOM 172 C TRP A 341 76.344 -4.656 13.904 1.00 0.00 C ATOM 173 O TRP A 341 75.833 -5.643 14.433 1.00 0.00 O ATOM 174 CB TRP A 341 78.530 -3.735 13.086 1.00 0.00 C ATOM 175 CG TRP A 341 79.799 -4.000 12.336 1.00 0.00 C ATOM 176 CD1 TRP A 341 80.833 -4.799 12.731 1.00 0.00 C ATOM 177 CD2 TRP A 341 80.170 -3.463 11.061 1.00 0.00 C ATOM 178 NE1 TRP A 341 81.824 -4.793 11.779 1.00 0.00 N ATOM 179 CE2 TRP A 341 81.441 -3.980 10.745 1.00 0.00 C ATOM 180 CE3 TRP A 341 79.551 -2.597 10.156 1.00 0.00 C ATOM 181 CZ2 TRP A 341 82.102 -3.659 9.562 1.00 0.00 C ATOM 182 CZ3 TRP A 341 80.208 -2.278 8.982 1.00 0.00 C ATOM 183 CH2 TRP A 341 81.472 -2.808 8.694 1.00 0.00 C ATOM 0 H TRP A 341 77.359 -4.027 10.936 1.00 0.00 H new ATOM 0 HA TRP A 341 77.921 -5.794 13.023 1.00 0.00 H new ATOM 0 HB2 TRP A 341 78.126 -2.772 12.774 1.00 0.00 H new ATOM 0 HB3 TRP A 341 78.755 -3.657 14.150 1.00 0.00 H new ATOM 0 HD1 TRP A 341 80.867 -5.355 13.656 1.00 0.00 H new ATOM 0 HE1 TRP A 341 82.702 -5.310 11.833 1.00 0.00 H new ATOM 0 HE3 TRP A 341 78.576 -2.184 10.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 341 83.077 -4.067 9.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 341 79.739 -1.609 8.276 1.00 0.00 H new ATOM 0 HH2 TRP A 341 81.960 -2.540 7.768 1.00 0.00 H new ATOM 194 N LEU A 342 75.966 -3.410 14.182 1.00 0.00 N ATOM 195 CA LEU A 342 74.906 -3.129 15.145 1.00 0.00 C ATOM 196 C LEU A 342 74.680 -1.626 15.280 1.00 0.00 C ATOM 197 O LEU A 342 73.561 -1.140 15.123 1.00 0.00 O ATOM 198 CB LEU A 342 75.253 -3.727 16.511 1.00 0.00 C ATOM 199 CG LEU A 342 74.067 -4.308 17.283 1.00 0.00 C ATOM 200 CD1 LEU A 342 73.792 -5.737 16.843 1.00 0.00 C ATOM 201 CD2 LEU A 342 74.328 -4.250 18.781 1.00 0.00 C ATOM 0 H LEU A 342 76.378 -2.581 13.754 1.00 0.00 H new ATOM 0 HA LEU A 342 73.987 -3.588 14.779 1.00 0.00 H new ATOM 0 HB2 LEU A 342 75.995 -4.513 16.369 1.00 0.00 H new ATOM 0 HB3 LEU A 342 75.721 -2.954 17.121 1.00 0.00 H new ATOM 0 HG LEU A 342 73.185 -3.707 17.064 1.00 0.00 H new ATOM 0 HD11 LEU A 342 72.945 -6.134 17.403 1.00 0.00 H new ATOM 0 HD12 LEU A 342 73.561 -5.752 15.778 1.00 0.00 H new ATOM 0 HD13 LEU A 342 74.672 -6.352 17.032 1.00 0.00 H new ATOM 0 HD21 LEU A 342 73.475 -4.667 19.315 1.00 0.00 H new ATOM 0 HD22 LEU A 342 75.222 -4.828 19.017 1.00 0.00 H new ATOM 0 HD23 LEU A 342 74.475 -3.214 19.085 1.00 0.00 H new ATOM 213 N SER A 343 75.752 -0.897 15.571 1.00 0.00 N ATOM 214 CA SER A 343 75.672 0.551 15.727 1.00 0.00 C ATOM 215 C SER A 343 76.193 1.262 14.482 1.00 0.00 C ATOM 216 O SER A 343 76.722 2.370 14.564 1.00 0.00 O ATOM 217 CB SER A 343 76.468 0.998 16.954 1.00 0.00 C ATOM 218 OG SER A 343 75.832 0.587 18.152 1.00 0.00 O ATOM 0 H SER A 343 76.686 -1.285 15.704 1.00 0.00 H new ATOM 0 HA SER A 343 74.624 0.819 15.865 1.00 0.00 H new ATOM 0 HB2 SER A 343 77.474 0.580 16.911 1.00 0.00 H new ATOM 0 HB3 SER A 343 76.573 2.083 16.948 1.00 0.00 H new ATOM 0 HG SER A 343 76.361 0.883 18.922 1.00 0.00 H new ATOM 224 N GLN A 344 76.039 0.616 13.330 1.00 0.00 N ATOM 225 CA GLN A 344 76.493 1.187 12.068 1.00 0.00 C ATOM 226 C GLN A 344 75.345 1.876 11.338 1.00 0.00 C ATOM 227 O GLN A 344 74.197 1.438 11.414 1.00 0.00 O ATOM 228 CB GLN A 344 77.098 0.098 11.179 1.00 0.00 C ATOM 229 CG GLN A 344 78.039 0.635 10.114 1.00 0.00 C ATOM 230 CD GLN A 344 79.145 1.496 10.693 1.00 0.00 C ATOM 231 OE1 GLN A 344 79.156 2.714 10.517 1.00 0.00 O ATOM 232 NE2 GLN A 344 80.083 0.864 11.388 1.00 0.00 N ATOM 0 H GLN A 344 75.604 -0.302 13.245 1.00 0.00 H new ATOM 0 HA GLN A 344 77.258 1.932 12.290 1.00 0.00 H new ATOM 0 HB2 GLN A 344 77.639 -0.612 11.805 1.00 0.00 H new ATOM 0 HB3 GLN A 344 76.292 -0.454 10.695 1.00 0.00 H new ATOM 0 HG2 GLN A 344 78.481 -0.200 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 344 77.469 1.220 9.392 1.00 0.00 H new ATOM 0 HE21 GLN A 344 80.034 -0.148 11.509 1.00 0.00 H new ATOM 0 HE22 GLN A 344 80.853 1.390 11.801 1.00 0.00 H new ATOM 241 N VAL A 345 75.662 2.956 10.632 1.00 0.00 N ATOM 242 CA VAL A 345 74.657 3.705 9.889 1.00 0.00 C ATOM 243 C VAL A 345 75.073 3.889 8.432 1.00 0.00 C ATOM 244 O VAL A 345 76.247 4.111 8.134 1.00 0.00 O ATOM 245 CB VAL A 345 74.403 5.088 10.523 1.00 0.00 C ATOM 246 CG1 VAL A 345 73.316 5.839 9.765 1.00 0.00 C ATOM 247 CG2 VAL A 345 74.032 4.939 11.992 1.00 0.00 C ATOM 0 H VAL A 345 76.607 3.332 10.559 1.00 0.00 H new ATOM 0 HA VAL A 345 73.736 3.124 9.928 1.00 0.00 H new ATOM 0 HB VAL A 345 75.322 5.670 10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 345 73.154 6.811 10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 345 73.625 5.979 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 345 72.390 5.265 9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 345 73.856 5.924 12.425 1.00 0.00 H new ATOM 0 HG22 VAL A 345 73.127 4.337 12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 345 74.847 4.449 12.525 1.00 0.00 H new ATOM 257 N CYS A 346 74.100 3.795 7.531 1.00 0.00 N ATOM 258 CA CYS A 346 74.351 3.950 6.100 1.00 0.00 C ATOM 259 C CYS A 346 75.214 5.180 5.821 1.00 0.00 C ATOM 260 O CYS A 346 75.025 6.233 6.430 1.00 0.00 O ATOM 261 CB CYS A 346 73.021 4.058 5.348 1.00 0.00 C ATOM 262 SG CYS A 346 73.191 4.196 3.539 1.00 0.00 S ATOM 0 H CYS A 346 73.125 3.611 7.767 1.00 0.00 H new ATOM 0 HA CYS A 346 74.894 3.072 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 346 72.415 3.182 5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 346 72.478 4.928 5.717 1.00 0.00 H new ATOM 267 N ASN A 347 76.163 5.041 4.895 1.00 0.00 N ATOM 268 CA ASN A 347 77.052 6.145 4.538 1.00 0.00 C ATOM 269 C ASN A 347 76.495 6.946 3.364 1.00 0.00 C ATOM 270 O ASN A 347 77.244 7.587 2.626 1.00 0.00 O ATOM 271 CB ASN A 347 78.446 5.621 4.186 1.00 0.00 C ATOM 272 CG ASN A 347 79.429 5.778 5.329 1.00 0.00 C ATOM 273 OD1 ASN A 347 79.218 5.249 6.421 1.00 0.00 O ATOM 274 ND2 ASN A 347 80.511 6.508 5.084 1.00 0.00 N ATOM 0 H ASN A 347 76.335 4.177 4.380 1.00 0.00 H new ATOM 0 HA ASN A 347 77.123 6.803 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 347 78.377 4.568 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 347 78.821 6.154 3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 347 81.208 6.649 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 347 80.645 6.928 4.164 1.00 0.00 H new ATOM 281 N VAL A 348 75.181 6.904 3.198 1.00 0.00 N ATOM 282 CA VAL A 348 74.521 7.623 2.116 1.00 0.00 C ATOM 283 C VAL A 348 73.340 8.433 2.642 1.00 0.00 C ATOM 284 O VAL A 348 73.385 9.663 2.676 1.00 0.00 O ATOM 285 CB VAL A 348 74.027 6.657 1.018 1.00 0.00 C ATOM 286 CG1 VAL A 348 73.672 7.421 -0.247 1.00 0.00 C ATOM 287 CG2 VAL A 348 75.076 5.594 0.727 1.00 0.00 C ATOM 0 H VAL A 348 74.548 6.378 3.801 1.00 0.00 H new ATOM 0 HA VAL A 348 75.258 8.299 1.684 1.00 0.00 H new ATOM 0 HB VAL A 348 73.128 6.159 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 348 73.326 6.723 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 348 72.882 8.140 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 348 74.553 7.949 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 348 74.709 4.923 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 348 75.995 6.073 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 348 75.277 5.024 1.634 1.00 0.00 H new ATOM 297 N CYS A 349 72.287 7.736 3.059 1.00 0.00 N ATOM 298 CA CYS A 349 71.097 8.391 3.592 1.00 0.00 C ATOM 299 C CYS A 349 71.192 8.557 5.108 1.00 0.00 C ATOM 300 O CYS A 349 70.485 9.374 5.696 1.00 0.00 O ATOM 301 CB CYS A 349 69.843 7.593 3.232 1.00 0.00 C ATOM 302 SG CYS A 349 69.824 5.898 3.900 1.00 0.00 S ATOM 0 H CYS A 349 72.234 6.718 3.038 1.00 0.00 H new ATOM 0 HA CYS A 349 71.031 9.382 3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 349 68.967 8.127 3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 349 69.754 7.546 2.147 1.00 0.00 H new ATOM 307 N GLN A 350 72.072 7.772 5.735 1.00 0.00 N ATOM 308 CA GLN A 350 72.271 7.820 7.185 1.00 0.00 C ATOM 309 C GLN A 350 70.941 7.866 7.937 1.00 0.00 C ATOM 310 O GLN A 350 70.342 8.929 8.098 1.00 0.00 O ATOM 311 CB GLN A 350 73.138 9.022 7.573 1.00 0.00 C ATOM 312 CG GLN A 350 72.680 10.340 6.968 1.00 0.00 C ATOM 313 CD GLN A 350 73.488 11.521 7.467 1.00 0.00 C ATOM 314 OE1 GLN A 350 72.982 12.366 8.206 1.00 0.00 O ATOM 315 NE2 GLN A 350 74.752 11.587 7.065 1.00 0.00 N ATOM 0 H GLN A 350 72.662 7.091 5.256 1.00 0.00 H new ATOM 0 HA GLN A 350 72.787 6.904 7.472 1.00 0.00 H new ATOM 0 HB2 GLN A 350 73.145 9.116 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 350 74.165 8.830 7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 350 72.758 10.284 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 350 71.628 10.498 7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 350 75.131 10.865 6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 350 75.344 12.360 7.369 1.00 0.00 H new ATOM 324 N LYS A 351 70.490 6.704 8.399 1.00 0.00 N ATOM 325 CA LYS A 351 69.235 6.609 9.138 1.00 0.00 C ATOM 326 C LYS A 351 69.284 5.468 10.151 1.00 0.00 C ATOM 327 O LYS A 351 70.247 4.702 10.192 1.00 0.00 O ATOM 328 CB LYS A 351 68.066 6.400 8.174 1.00 0.00 C ATOM 329 CG LYS A 351 67.618 7.674 7.476 1.00 0.00 C ATOM 330 CD LYS A 351 66.166 7.586 7.035 1.00 0.00 C ATOM 331 CE LYS A 351 65.947 8.275 5.698 1.00 0.00 C ATOM 332 NZ LYS A 351 66.318 9.716 5.749 1.00 0.00 N ATOM 0 H LYS A 351 70.974 5.815 8.275 1.00 0.00 H new ATOM 0 HA LYS A 351 69.089 7.544 9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 351 68.353 5.665 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 351 67.223 5.981 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 351 67.744 8.522 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 351 68.252 7.857 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 351 65.871 6.540 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 351 65.527 8.043 7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 351 66.538 7.775 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 351 64.901 8.179 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 66.075 10.169 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 65.798 10.181 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 67.340 9.806 5.918 1.00 0.00 H new ATOM 346 N SER A 352 68.240 5.363 10.967 1.00 0.00 N ATOM 347 CA SER A 352 68.161 4.316 11.981 1.00 0.00 C ATOM 348 C SER A 352 68.092 2.936 11.335 1.00 0.00 C ATOM 349 O SER A 352 67.023 2.483 10.926 1.00 0.00 O ATOM 350 CB SER A 352 66.940 4.535 12.876 1.00 0.00 C ATOM 351 OG SER A 352 66.820 3.500 13.837 1.00 0.00 O ATOM 0 H SER A 352 67.436 5.990 10.946 1.00 0.00 H new ATOM 0 HA SER A 352 69.063 4.367 12.590 1.00 0.00 H new ATOM 0 HB2 SER A 352 67.024 5.497 13.382 1.00 0.00 H new ATOM 0 HB3 SER A 352 66.039 4.574 12.264 1.00 0.00 H new ATOM 0 HG SER A 352 66.033 3.664 14.398 1.00 0.00 H new ATOM 357 N MET A 353 69.241 2.273 11.246 1.00 0.00 N ATOM 358 CA MET A 353 69.319 0.943 10.648 1.00 0.00 C ATOM 359 C MET A 353 70.759 0.445 10.631 1.00 0.00 C ATOM 360 O MET A 353 71.680 1.177 10.995 1.00 0.00 O ATOM 361 CB MET A 353 68.765 0.962 9.218 1.00 0.00 C ATOM 362 CG MET A 353 69.050 2.254 8.465 1.00 0.00 C ATOM 363 SD MET A 353 67.562 3.225 8.154 1.00 0.00 S ATOM 364 CE MET A 353 66.691 2.154 7.012 1.00 0.00 C ATOM 0 H MET A 353 70.133 2.636 11.581 1.00 0.00 H new ATOM 0 HA MET A 353 68.717 0.266 11.254 1.00 0.00 H new ATOM 0 HB2 MET A 353 69.191 0.127 8.662 1.00 0.00 H new ATOM 0 HB3 MET A 353 67.687 0.804 9.254 1.00 0.00 H new ATOM 0 HG2 MET A 353 69.757 2.854 9.038 1.00 0.00 H new ATOM 0 HG3 MET A 353 69.529 2.017 7.515 1.00 0.00 H new ATOM 0 HE1 MET A 353 66.441 2.711 6.109 1.00 0.00 H new ATOM 0 HE2 MET A 353 67.326 1.307 6.752 1.00 0.00 H new ATOM 0 HE3 MET A 353 65.776 1.791 7.480 1.00 0.00 H new ATOM 374 N ILE A 354 70.958 -0.772 10.136 1.00 0.00 N ATOM 375 CA ILE A 354 72.265 -1.320 9.991 1.00 0.00 C ATOM 376 C ILE A 354 72.299 -2.085 8.703 1.00 0.00 C ATOM 377 O ILE A 354 71.995 -3.274 8.616 1.00 0.00 O ATOM 378 CB ILE A 354 72.636 -2.256 11.136 1.00 0.00 C ATOM 379 CG1 ILE A 354 72.778 -1.462 12.431 1.00 0.00 C ATOM 380 CG2 ILE A 354 73.917 -3.022 10.821 1.00 0.00 C ATOM 381 CD1 ILE A 354 71.541 -1.496 13.302 1.00 0.00 C ATOM 0 H ILE A 354 70.207 -1.391 9.830 1.00 0.00 H new ATOM 0 HA ILE A 354 72.985 -0.502 9.999 1.00 0.00 H new ATOM 0 HB ILE A 354 71.838 -2.988 11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 354 73.622 -1.855 12.998 1.00 0.00 H new ATOM 0 HG13 ILE A 354 73.013 -0.426 12.188 1.00 0.00 H new ATOM 0 HG21 ILE A 354 74.160 -3.683 11.653 1.00 0.00 H new ATOM 0 HG22 ILE A 354 73.774 -3.614 9.917 1.00 0.00 H new ATOM 0 HG23 ILE A 354 74.734 -2.317 10.667 1.00 0.00 H new ATOM 0 HD11 ILE A 354 71.715 -0.910 14.205 1.00 0.00 H new ATOM 0 HD12 ILE A 354 70.698 -1.075 12.754 1.00 0.00 H new ATOM 0 HD13 ILE A 354 71.317 -2.527 13.576 1.00 0.00 H new ATOM 393 N PHE A 355 72.705 -1.358 7.746 1.00 0.00 N ATOM 394 CA PHE A 355 72.870 -1.836 6.384 1.00 0.00 C ATOM 395 C PHE A 355 74.163 -1.296 5.790 1.00 0.00 C ATOM 396 O PHE A 355 74.375 -0.083 5.758 1.00 0.00 O ATOM 397 CB PHE A 355 71.678 -1.420 5.522 1.00 0.00 C ATOM 398 CG PHE A 355 70.610 -2.472 5.427 1.00 0.00 C ATOM 399 CD1 PHE A 355 70.878 -3.700 4.844 1.00 0.00 C ATOM 400 CD2 PHE A 355 69.338 -2.233 5.921 1.00 0.00 C ATOM 401 CE1 PHE A 355 69.898 -4.670 4.755 1.00 0.00 C ATOM 402 CE2 PHE A 355 68.353 -3.199 5.835 1.00 0.00 C ATOM 403 CZ PHE A 355 68.633 -4.419 5.251 1.00 0.00 C ATOM 0 H PHE A 355 72.948 -0.374 7.863 1.00 0.00 H new ATOM 0 HA PHE A 355 72.920 -2.925 6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 355 71.243 -0.509 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 355 72.031 -1.181 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 355 71.865 -3.901 4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 355 69.113 -1.281 6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 355 70.120 -5.623 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 355 67.365 -3.000 6.224 1.00 0.00 H new ATOM 0 HZ PHE A 355 67.865 -5.175 5.182 1.00 0.00 H new ATOM 413 N GLY A 356 75.026 -2.185 5.320 1.00 0.00 N ATOM 414 CA GLY A 356 76.277 -1.742 4.740 1.00 0.00 C ATOM 415 C GLY A 356 76.761 -2.639 3.623 1.00 0.00 C ATOM 416 O GLY A 356 76.536 -3.844 3.642 1.00 0.00 O ATOM 0 H GLY A 356 74.885 -3.195 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.155 -0.729 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 356 77.038 -1.699 5.520 1.00 0.00 H new ATOM 420 N VAL A 357 77.440 -2.046 2.653 1.00 0.00 N ATOM 421 CA VAL A 357 77.981 -2.794 1.531 1.00 0.00 C ATOM 422 C VAL A 357 79.430 -2.392 1.298 1.00 0.00 C ATOM 423 O VAL A 357 79.759 -1.208 1.302 1.00 0.00 O ATOM 424 CB VAL A 357 77.158 -2.577 0.242 1.00 0.00 C ATOM 425 CG1 VAL A 357 75.725 -3.047 0.442 1.00 0.00 C ATOM 426 CG2 VAL A 357 77.190 -1.117 -0.190 1.00 0.00 C ATOM 0 H VAL A 357 77.630 -1.044 2.621 1.00 0.00 H new ATOM 0 HA VAL A 357 77.927 -3.854 1.779 1.00 0.00 H new ATOM 0 HB VAL A 357 77.610 -3.170 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 357 75.158 -2.887 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 357 75.722 -4.108 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 357 75.267 -2.483 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.602 -0.994 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 357 76.770 -0.494 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 357 78.220 -0.816 -0.380 1.00 0.00 H new ATOM 436 N LYS A 358 80.302 -3.373 1.115 1.00 0.00 N ATOM 437 CA LYS A 358 81.715 -3.086 0.907 1.00 0.00 C ATOM 438 C LYS A 358 82.106 -3.246 -0.555 1.00 0.00 C ATOM 439 O LYS A 358 81.988 -4.329 -1.127 1.00 0.00 O ATOM 440 CB LYS A 358 82.575 -4.003 1.778 1.00 0.00 C ATOM 441 CG LYS A 358 83.856 -3.350 2.269 1.00 0.00 C ATOM 442 CD LYS A 358 84.314 -3.944 3.591 1.00 0.00 C ATOM 443 CE LYS A 358 84.823 -5.365 3.416 1.00 0.00 C ATOM 444 NZ LYS A 358 84.471 -6.229 4.576 1.00 0.00 N ATOM 0 H LYS A 358 80.061 -4.364 1.106 1.00 0.00 H new ATOM 0 HA LYS A 358 81.888 -2.049 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 358 81.989 -4.327 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 358 82.828 -4.898 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 358 84.639 -3.476 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 358 83.697 -2.278 2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 358 85.103 -3.324 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 358 83.486 -3.938 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 358 84.402 -5.791 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 358 85.906 -5.350 3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 84.836 -7.190 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 84.893 -5.837 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 83.437 -6.265 4.681 1.00 0.00 H new ATOM 458 N CYS A 359 82.590 -2.161 -1.146 1.00 0.00 N ATOM 459 CA CYS A 359 83.020 -2.173 -2.535 1.00 0.00 C ATOM 460 C CYS A 359 84.538 -2.242 -2.599 1.00 0.00 C ATOM 461 O CYS A 359 85.226 -1.440 -1.965 1.00 0.00 O ATOM 462 CB CYS A 359 82.494 -0.925 -3.273 1.00 0.00 C ATOM 463 SG CYS A 359 83.761 0.312 -3.736 1.00 0.00 S ATOM 0 H CYS A 359 82.694 -1.259 -0.681 1.00 0.00 H new ATOM 0 HA CYS A 359 82.608 -3.052 -3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 359 81.981 -1.250 -4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 359 81.750 -0.438 -2.642 1.00 0.00 H new ATOM 468 N LYS A 360 85.062 -3.186 -3.369 1.00 0.00 N ATOM 469 CA LYS A 360 86.459 -3.335 -3.517 1.00 0.00 C ATOM 470 C LYS A 360 86.951 -2.365 -4.563 1.00 0.00 C ATOM 471 O LYS A 360 86.209 -1.509 -5.044 1.00 0.00 O ATOM 472 CB LYS A 360 86.768 -4.772 -3.918 1.00 0.00 C ATOM 473 CG LYS A 360 87.334 -5.618 -2.789 1.00 0.00 C ATOM 474 CD LYS A 360 86.447 -5.567 -1.555 1.00 0.00 C ATOM 475 CE LYS A 360 85.117 -6.261 -1.795 1.00 0.00 C ATOM 476 NZ LYS A 360 85.245 -7.744 -1.740 1.00 0.00 N ATOM 0 H LYS A 360 84.509 -3.859 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 360 86.967 -3.120 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 360 85.856 -5.240 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 360 87.479 -4.764 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 360 87.436 -6.651 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 360 88.334 -5.265 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 360 86.960 -6.041 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 360 86.271 -4.528 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 360 84.396 -5.931 -1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 360 84.725 -5.967 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 84.316 -8.179 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 85.914 -8.062 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 85.595 -8.028 -0.803 1.00 0.00 H new ATOM 490 N HIS A 361 88.200 -2.513 -4.897 1.00 0.00 N ATOM 491 CA HIS A 361 88.855 -1.660 -5.888 1.00 0.00 C ATOM 492 C HIS A 361 88.956 -0.209 -5.401 1.00 0.00 C ATOM 493 O HIS A 361 89.910 0.497 -5.729 1.00 0.00 O ATOM 494 CB HIS A 361 88.098 -1.711 -7.217 1.00 0.00 C ATOM 495 CG HIS A 361 87.916 -3.098 -7.749 1.00 0.00 C ATOM 496 ND1 HIS A 361 88.775 -3.672 -8.663 1.00 0.00 N ATOM 497 CD2 HIS A 361 86.967 -4.029 -7.492 1.00 0.00 C ATOM 498 CE1 HIS A 361 88.362 -4.895 -8.945 1.00 0.00 C ATOM 499 NE2 HIS A 361 87.268 -5.136 -8.247 1.00 0.00 N ATOM 0 H HIS A 361 88.809 -3.227 -4.497 1.00 0.00 H new ATOM 0 HA HIS A 361 89.866 -2.040 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 361 87.119 -1.250 -7.086 1.00 0.00 H new ATOM 0 HB3 HIS A 361 88.635 -1.115 -7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 361 86.129 -3.921 -6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 361 88.838 -5.581 -9.630 1.00 0.00 H new ATOM 0 HE2 HIS A 361 86.733 -6.004 -8.265 1.00 0.00 H new ATOM 508 N CYS A 362 87.964 0.232 -4.627 1.00 0.00 N ATOM 509 CA CYS A 362 87.933 1.595 -4.106 1.00 0.00 C ATOM 510 C CYS A 362 87.824 1.599 -2.582 1.00 0.00 C ATOM 511 O CYS A 362 88.415 2.446 -1.912 1.00 0.00 O ATOM 512 CB CYS A 362 86.752 2.372 -4.703 1.00 0.00 C ATOM 513 SG CYS A 362 86.097 1.690 -6.264 1.00 0.00 S ATOM 0 H CYS A 362 87.168 -0.340 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 362 88.867 2.079 -4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 362 85.946 2.401 -3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 362 87.063 3.402 -4.875 1.00 0.00 H new ATOM 518 N ARG A 363 87.057 0.651 -2.043 1.00 0.00 N ATOM 519 CA ARG A 363 86.854 0.542 -0.597 1.00 0.00 C ATOM 520 C ARG A 363 85.869 1.600 -0.107 1.00 0.00 C ATOM 521 O ARG A 363 86.267 2.690 0.304 1.00 0.00 O ATOM 522 CB ARG A 363 88.183 0.674 0.155 1.00 0.00 C ATOM 523 CG ARG A 363 89.310 -0.150 -0.447 1.00 0.00 C ATOM 524 CD ARG A 363 88.925 -1.616 -0.569 1.00 0.00 C ATOM 525 NE ARG A 363 90.097 -2.485 -0.648 1.00 0.00 N ATOM 526 CZ ARG A 363 90.829 -2.644 -1.749 1.00 0.00 C ATOM 527 NH1 ARG A 363 90.513 -1.996 -2.864 1.00 0.00 N ATOM 528 NH2 ARG A 363 91.879 -3.453 -1.735 1.00 0.00 N ATOM 0 H ARG A 363 86.564 -0.056 -2.588 1.00 0.00 H new ATOM 0 HA ARG A 363 86.438 -0.445 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 363 88.479 1.723 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 363 88.036 0.370 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 363 89.564 0.244 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 363 90.201 -0.057 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 363 88.317 -1.904 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 363 88.309 -1.756 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 363 90.370 -3.000 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 363 89.706 -1.373 -2.880 1.00 0.00 H new ATOM 0 HH12 ARG A 363 91.077 -2.122 -3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 363 92.126 -3.953 -0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 363 92.440 -3.575 -2.578 1.00 0.00 H new ATOM 542 N LEU A 364 84.580 1.271 -0.159 1.00 0.00 N ATOM 543 CA LEU A 364 83.533 2.196 0.274 1.00 0.00 C ATOM 544 C LEU A 364 82.439 1.463 1.048 1.00 0.00 C ATOM 545 O LEU A 364 82.365 0.235 1.019 1.00 0.00 O ATOM 546 CB LEU A 364 82.923 2.902 -0.939 1.00 0.00 C ATOM 547 CG LEU A 364 82.092 4.148 -0.622 1.00 0.00 C ATOM 548 CD1 LEU A 364 82.869 5.098 0.277 1.00 0.00 C ATOM 549 CD2 LEU A 364 81.676 4.849 -1.906 1.00 0.00 C ATOM 0 H LEU A 364 84.235 0.372 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 364 83.986 2.935 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 364 83.728 3.185 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 364 82.292 2.191 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 364 81.193 3.835 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 364 82.260 5.977 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 364 83.118 4.594 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 364 83.787 5.405 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 364 81.086 5.733 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 364 82.565 5.148 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 364 81.079 4.170 -2.514 1.00 0.00 H new ATOM 561 N LYS A 365 81.583 2.221 1.731 1.00 0.00 N ATOM 562 CA LYS A 365 80.491 1.633 2.495 1.00 0.00 C ATOM 563 C LYS A 365 79.177 2.337 2.174 1.00 0.00 C ATOM 564 O LYS A 365 79.110 3.565 2.146 1.00 0.00 O ATOM 565 CB LYS A 365 80.779 1.706 3.995 1.00 0.00 C ATOM 566 CG LYS A 365 80.734 3.115 4.560 1.00 0.00 C ATOM 567 CD LYS A 365 81.492 3.215 5.873 1.00 0.00 C ATOM 568 CE LYS A 365 82.977 2.955 5.680 1.00 0.00 C ATOM 569 NZ LYS A 365 83.789 3.512 6.797 1.00 0.00 N ATOM 0 H LYS A 365 81.626 3.239 1.769 1.00 0.00 H new ATOM 0 HA LYS A 365 80.403 0.584 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 365 80.054 1.089 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 365 81.763 1.279 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 365 81.162 3.811 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 365 79.697 3.413 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 365 81.348 4.206 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 365 81.085 2.497 6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 365 83.151 1.882 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 365 83.303 3.397 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 84.796 3.313 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 83.644 4.540 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 83.496 3.072 7.692 1.00 0.00 H new ATOM 583 N CYS A 366 78.141 1.549 1.917 1.00 0.00 N ATOM 584 CA CYS A 366 76.824 2.090 1.582 1.00 0.00 C ATOM 585 C CYS A 366 75.722 1.096 1.938 1.00 0.00 C ATOM 586 O CYS A 366 75.978 -0.092 2.115 1.00 0.00 O ATOM 587 CB CYS A 366 76.724 2.444 0.090 1.00 0.00 C ATOM 588 SG CYS A 366 78.285 2.920 -0.695 1.00 0.00 S ATOM 0 H CYS A 366 78.185 0.530 1.933 1.00 0.00 H new ATOM 0 HA CYS A 366 76.694 3.000 2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 366 76.314 1.587 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 366 76.013 3.262 -0.026 1.00 0.00 H new ATOM 0 HG CYS A 366 78.075 3.193 -1.949 1.00 0.00 H new ATOM 594 N HIS A 367 74.492 1.596 2.036 1.00 0.00 N ATOM 595 CA HIS A 367 73.331 0.764 2.360 1.00 0.00 C ATOM 596 C HIS A 367 73.341 -0.534 1.557 1.00 0.00 C ATOM 597 O HIS A 367 74.169 -0.715 0.666 1.00 0.00 O ATOM 598 CB HIS A 367 72.046 1.535 2.049 1.00 0.00 C ATOM 599 CG HIS A 367 71.158 1.748 3.232 1.00 0.00 C ATOM 600 ND1 HIS A 367 70.937 3.005 3.729 1.00 0.00 N ATOM 601 CD2 HIS A 367 70.454 0.849 3.960 1.00 0.00 C ATOM 602 CE1 HIS A 367 70.106 2.851 4.746 1.00 0.00 C ATOM 603 NE2 HIS A 367 69.785 1.560 4.924 1.00 0.00 N ATOM 0 H HIS A 367 74.271 2.582 1.895 1.00 0.00 H new ATOM 0 HA HIS A 367 73.376 0.517 3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 367 72.310 2.505 1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 367 71.489 0.996 1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 367 70.425 -0.220 3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 367 69.733 3.661 5.356 1.00 0.00 H new ATOM 0 HE2 HIS A 367 69.163 1.181 5.638 1.00 0.00 H new ATOM 611 N ASN A 368 72.395 -1.425 1.852 1.00 0.00 N ATOM 612 CA ASN A 368 72.292 -2.689 1.126 1.00 0.00 C ATOM 613 C ASN A 368 72.384 -2.435 -0.377 1.00 0.00 C ATOM 614 O ASN A 368 72.859 -3.278 -1.138 1.00 0.00 O ATOM 615 CB ASN A 368 70.975 -3.392 1.461 1.00 0.00 C ATOM 616 CG ASN A 368 71.129 -4.898 1.542 1.00 0.00 C ATOM 617 OD1 ASN A 368 72.239 -5.414 1.675 1.00 0.00 O ATOM 618 ND2 ASN A 368 70.012 -5.612 1.463 1.00 0.00 N ATOM 0 H ASN A 368 71.695 -1.296 2.582 1.00 0.00 H new ATOM 0 HA ASN A 368 73.116 -3.335 1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 368 70.597 -3.016 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 368 70.232 -3.146 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 368 70.053 -6.630 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 368 69.113 -5.142 1.353 1.00 0.00 H new ATOM 625 N LYS A 369 71.937 -1.250 -0.784 1.00 0.00 N ATOM 626 CA LYS A 369 71.973 -0.843 -2.179 1.00 0.00 C ATOM 627 C LYS A 369 72.078 0.677 -2.275 1.00 0.00 C ATOM 628 O LYS A 369 73.138 1.216 -2.596 1.00 0.00 O ATOM 629 CB LYS A 369 70.725 -1.337 -2.914 1.00 0.00 C ATOM 630 CG LYS A 369 70.958 -2.603 -3.725 1.00 0.00 C ATOM 631 CD LYS A 369 72.147 -2.453 -4.661 1.00 0.00 C ATOM 632 CE LYS A 369 71.842 -3.007 -6.044 1.00 0.00 C ATOM 633 NZ LYS A 369 70.600 -2.419 -6.617 1.00 0.00 N ATOM 0 H LYS A 369 71.542 -0.550 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 369 72.848 -1.289 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 369 69.934 -1.522 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 369 70.369 -0.550 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 369 71.128 -3.442 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 369 70.064 -2.835 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 369 72.417 -1.400 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 369 73.009 -2.972 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 369 72.681 -2.803 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 369 71.737 -4.090 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 70.709 -2.312 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 69.795 -3.046 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 70.427 -1.487 -6.188 1.00 0.00 H new ATOM 647 N CYS A 370 70.972 1.359 -1.981 1.00 0.00 N ATOM 648 CA CYS A 370 70.920 2.824 -2.016 1.00 0.00 C ATOM 649 C CYS A 370 71.689 3.387 -3.211 1.00 0.00 C ATOM 650 O CYS A 370 72.250 4.480 -3.142 1.00 0.00 O ATOM 651 CB CYS A 370 71.483 3.403 -0.715 1.00 0.00 C ATOM 652 SG CYS A 370 70.223 3.729 0.565 1.00 0.00 S ATOM 0 H CYS A 370 70.092 0.918 -1.714 1.00 0.00 H new ATOM 0 HA CYS A 370 69.875 3.115 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 370 72.223 2.711 -0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 370 72.005 4.333 -0.940 1.00 0.00 H new ATOM 657 N THR A 371 71.711 2.630 -4.302 1.00 0.00 N ATOM 658 CA THR A 371 72.411 3.049 -5.511 1.00 0.00 C ATOM 659 C THR A 371 71.864 4.375 -6.029 1.00 0.00 C ATOM 660 O THR A 371 72.598 5.178 -6.606 1.00 0.00 O ATOM 661 CB THR A 371 72.288 1.976 -6.593 1.00 0.00 C ATOM 662 OG1 THR A 371 71.002 1.383 -6.568 1.00 0.00 O ATOM 663 CG2 THR A 371 73.308 0.866 -6.455 1.00 0.00 C ATOM 0 H THR A 371 71.252 1.722 -4.374 1.00 0.00 H new ATOM 0 HA THR A 371 73.463 3.186 -5.261 1.00 0.00 H new ATOM 0 HB THR A 371 72.465 2.495 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 371 70.943 0.700 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 371 73.165 0.139 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 371 74.312 1.284 -6.521 1.00 0.00 H new ATOM 0 HG23 THR A 371 73.183 0.374 -5.490 1.00 0.00 H new ATOM 671 N LYS A 372 70.571 4.597 -5.822 1.00 0.00 N ATOM 672 CA LYS A 372 69.925 5.825 -6.269 1.00 0.00 C ATOM 673 C LYS A 372 70.499 7.041 -5.548 1.00 0.00 C ATOM 674 O LYS A 372 70.475 8.154 -6.074 1.00 0.00 O ATOM 675 CB LYS A 372 68.415 5.746 -6.034 1.00 0.00 C ATOM 676 CG LYS A 372 67.616 6.730 -6.873 1.00 0.00 C ATOM 677 CD LYS A 372 67.088 6.081 -8.141 1.00 0.00 C ATOM 678 CE LYS A 372 68.220 5.613 -9.041 1.00 0.00 C ATOM 679 NZ LYS A 372 67.712 4.949 -10.273 1.00 0.00 N ATOM 0 H LYS A 372 69.949 3.942 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 372 70.117 5.936 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 372 68.074 4.734 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 372 68.210 5.930 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 372 66.782 7.117 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 372 68.244 7.582 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 372 66.455 5.233 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 372 66.462 6.792 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 372 68.840 6.466 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 372 68.858 4.920 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 68.515 4.645 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 67.141 4.120 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 67.124 5.618 -10.811 1.00 0.00 H new ATOM 693 N GLU A 373 71.013 6.824 -4.341 1.00 0.00 N ATOM 694 CA GLU A 373 71.589 7.906 -3.551 1.00 0.00 C ATOM 695 C GLU A 373 73.112 7.904 -3.645 1.00 0.00 C ATOM 696 O GLU A 373 73.722 8.910 -4.009 1.00 0.00 O ATOM 697 CB GLU A 373 71.156 7.783 -2.089 1.00 0.00 C ATOM 698 CG GLU A 373 69.653 7.878 -1.889 1.00 0.00 C ATOM 699 CD GLU A 373 69.206 9.268 -1.479 1.00 0.00 C ATOM 700 OE1 GLU A 373 69.601 10.242 -2.153 1.00 0.00 O ATOM 701 OE2 GLU A 373 68.461 9.382 -0.483 1.00 0.00 O ATOM 0 H GLU A 373 71.042 5.910 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 373 71.222 8.850 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 373 71.507 6.830 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 373 71.642 8.567 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 373 69.149 7.596 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 373 69.346 7.162 -1.127 1.00 0.00 H new ATOM 708 N ALA A 374 73.721 6.770 -3.312 1.00 0.00 N ATOM 709 CA ALA A 374 75.174 6.641 -3.357 1.00 0.00 C ATOM 710 C ALA A 374 75.711 6.938 -4.755 1.00 0.00 C ATOM 711 O ALA A 374 75.048 6.664 -5.755 1.00 0.00 O ATOM 712 CB ALA A 374 75.595 5.249 -2.912 1.00 0.00 C ATOM 0 H ALA A 374 73.232 5.928 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 374 75.599 7.374 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 374 76.681 5.168 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 374 75.254 5.075 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 374 75.152 4.506 -3.574 1.00 0.00 H new ATOM 718 N PRO A 375 76.927 7.507 -4.842 1.00 0.00 N ATOM 719 CA PRO A 375 77.550 7.841 -6.125 1.00 0.00 C ATOM 720 C PRO A 375 78.100 6.612 -6.841 1.00 0.00 C ATOM 721 O PRO A 375 77.817 5.478 -6.454 1.00 0.00 O ATOM 722 CB PRO A 375 78.688 8.778 -5.723 1.00 0.00 C ATOM 723 CG PRO A 375 79.060 8.347 -4.347 1.00 0.00 C ATOM 724 CD PRO A 375 77.787 7.869 -3.698 1.00 0.00 C ATOM 0 HA PRO A 375 76.839 8.281 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 375 79.532 8.693 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 375 78.368 9.820 -5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 375 79.805 7.552 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 375 79.497 9.172 -3.785 1.00 0.00 H new ATOM 0 HD2 PRO A 375 77.966 7.015 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 375 77.332 8.648 -3.086 1.00 0.00 H new ATOM 732 N ALA A 376 78.887 6.845 -7.886 1.00 0.00 N ATOM 733 CA ALA A 376 79.478 5.757 -8.655 1.00 0.00 C ATOM 734 C ALA A 376 80.842 5.370 -8.097 1.00 0.00 C ATOM 735 O ALA A 376 81.667 6.232 -7.792 1.00 0.00 O ATOM 736 CB ALA A 376 79.597 6.151 -10.120 1.00 0.00 C ATOM 0 H ALA A 376 79.130 7.778 -8.220 1.00 0.00 H new ATOM 0 HA ALA A 376 78.823 4.890 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 376 80.040 5.329 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 376 78.607 6.372 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 376 80.229 7.034 -10.209 1.00 0.00 H new ATOM 742 N CYS A 377 81.075 4.068 -7.964 1.00 0.00 N ATOM 743 CA CYS A 377 82.340 3.567 -7.442 1.00 0.00 C ATOM 744 C CYS A 377 83.506 4.013 -8.319 1.00 0.00 C ATOM 745 O CYS A 377 83.727 3.468 -9.400 1.00 0.00 O ATOM 746 CB CYS A 377 82.307 2.039 -7.348 1.00 0.00 C ATOM 747 SG CYS A 377 82.714 1.388 -5.695 1.00 0.00 S ATOM 0 H CYS A 377 80.403 3.341 -8.211 1.00 0.00 H new ATOM 0 HA CYS A 377 82.483 3.981 -6.444 1.00 0.00 H new ATOM 0 HB2 CYS A 377 81.314 1.689 -7.630 1.00 0.00 H new ATOM 0 HB3 CYS A 377 83.008 1.626 -8.073 1.00 0.00 H new ATOM 752 N ARG A 378 84.249 5.009 -7.845 1.00 0.00 N ATOM 753 CA ARG A 378 85.392 5.529 -8.586 1.00 0.00 C ATOM 754 C ARG A 378 86.469 4.461 -8.746 1.00 0.00 C ATOM 755 O ARG A 378 86.119 3.262 -8.733 1.00 0.00 O ATOM 756 CB ARG A 378 85.973 6.752 -7.874 1.00 0.00 C ATOM 757 CG ARG A 378 86.795 7.652 -8.782 1.00 0.00 C ATOM 758 CD ARG A 378 87.537 8.716 -7.989 1.00 0.00 C ATOM 759 NE ARG A 378 88.766 8.197 -7.393 1.00 0.00 N ATOM 760 CZ ARG A 378 89.406 8.784 -6.384 1.00 0.00 C ATOM 761 NH1 ARG A 378 88.938 9.909 -5.857 1.00 0.00 N ATOM 762 NH2 ARG A 378 90.517 8.246 -5.902 1.00 0.00 N ATOM 763 OXT ARG A 378 87.654 4.832 -8.884 1.00 0.00 O ATOM 0 H ARG A 378 84.080 5.471 -6.952 1.00 0.00 H new ATOM 0 HA ARG A 378 85.047 5.823 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 378 85.157 7.333 -7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 378 86.598 6.417 -7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 378 87.510 7.050 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 378 86.141 8.130 -9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 378 87.777 9.554 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 378 86.887 9.101 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 378 89.156 7.334 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 378 88.084 10.328 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 378 89.432 10.354 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 378 90.882 7.382 -6.304 1.00 0.00 H new ATOM 0 HH22 ARG A 378 91.008 8.696 -5.129 1.00 0.00 H new TER 777 ARG A 378 HETATM 778 ZN ZN A 1 84.530 -0.007 -5.905 1.00 0.00 ZN HETATM 779 ZN ZN A 2 71.138 4.596 2.537 1.00 0.00 ZN CONECT 57 778 CONECT 262 779 CONECT 302 779 CONECT 463 747 778 CONECT 471 778 CONECT 513 778 CONECT 600 779 CONECT 652 779 CONECT 747 463 778 CONECT 778 57 463 471 513 CONECT 778 747 CONECT 779 262 302 600 652 END