USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) HEADER HYDROLASE 24-JUL-00 1E5B TITLE INTERNAL XYLAN BINDING DOMAIN FROM C. FIMI XYN10A, R262G TITLE 2 MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: XYLANASE D; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: XYLAN BINDING DOMAIN 1; COMPND 5 SYNONYM: XBD1,ENDO-1,4-BETA-XYLANASE D; COMPND 6 EC: 3.2.1.8; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; SOURCE 3 ORGANISM_TAXID: 1708; SOURCE 4 STRAIN: JM83; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: JM83 KEYWDS HYDROLASE, XYLAN BINDING DOMAIN, XYLANASE, BETA-SHEET EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR P.J.SIMPSON,X.HEFANG,D.N.BOLAM,H.J.GILBERT,M.P.WILLIAMSON REVDAT 2 24-FEB-09 1E5B 1 VERSN REVDAT 1 25-MAY-01 1E5B 0 JRNL AUTH P.J.SIMPSON,X.HEFANG,D.N.BOLAM,H.J.GILBERT, JRNL AUTH 2 M.P.WILLIAMSON JRNL TITL THE STRUCTURAL BASIS FOR THE LIGAND SPECIFICITY OF JRNL TITL 2 FAMILY 2 CARBOHYDRATE BINDING NODULES JRNL REF J.BIOL.CHEM. V. 275 41137 2000 JRNL REFN ISSN 0021-9258 JRNL PMID 10973978 JRNL DOI 10.1074/JBC.M006948200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: YASAP REMARK 4 REMARK 4 1E5B COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 24-JUL-00. REMARK 100 THE PDBE ID CODE IS EBI-5190. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 50MM SODIUM PHOSPHATE, REMARK 210 10MM AZIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : TOCSY, DQF-COSY, NOESY, REMARK 210 E.COSY, HSQC, NOESY-HMQC, REMARK 210 TOCSY-HMQC, HNHA, HNHB REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600; 750 REMARK 210 SPECTROMETER MODEL : DRX500; DRX600; DRX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : MSI FELIX 97.0 REMARK 210 METHOD USED : HYBRID DISTANCE GEOMETRY/ REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : NULL REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMISED AVERAGE REMARK 210 STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING HETERONUCLEAR REMARK 210 NMR SPECTROSCOPY ON A UNIFORMLY 15N-LABELLED SAMPLE OF REMARK 210 XBD1 (R262G) 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 400 REMARK 400 COMPOUND REMARK 400 CHAIN A MUTATION: R262G 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 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 254 105.30 -167.91 REMARK 500 ALA A 256 -86.01 -101.37 REMARK 500 GLU A 258 146.90 -170.43 REMARK 500 SER A 260 41.95 -82.98 REMARK 500 GLN A 285 171.33 -49.43 REMARK 500 ALA A 293 147.06 -176.32 REMARK 500 MET A 318 88.36 -61.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 255 0.15 SIDE CHAIN REMARK 500 ARG A 302 0.24 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2XBD RELATED DB: PDB REMARK 900 INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI REMARK 900 XYLANASE D, NMR, MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1XBD RELATED DB: PDB REMARK 900 INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI REMARK 900 XYLANASE D, NMR, 5 STRUCTURES REMARK 900 RELATED ID: 1E5C RELATED DB: PDB REMARK 900 INTERNAL XYLAN BINDING DOMAIN FROM C. FIMI XYN10A, R262G REMARK 900 MUTANT DBREF 1E5B A 247 333 UNP P54865 XYND_CELFI 247 333 SEQADV 1E5B GLY A 262 UNP P54865 ARG 262 ENGINEERED MUTATION SEQRES 1 A 87 THR GLY CYS SER VAL THR ALA THR ARG ALA GLU GLU TRP SEQRES 2 A 87 SER ASP GLY PHE ASN VAL THR TYR SER VAL SER GLY SER SEQRES 3 A 87 SER ALA TRP THR VAL ASN LEU ALA LEU ASN GLY SER GLN SEQRES 4 A 87 THR ILE GLN ALA SER TRP ASN ALA ASN VAL THR GLY SER SEQRES 5 A 87 GLY SER THR ARG THR VAL THR PRO ASN GLY SER GLY ASN SEQRES 6 A 87 THR PHE GLY VAL THR VAL MET LYS ASN GLY SER SER THR SEQRES 7 A 87 THR PRO ALA ALA THR CYS ALA GLY SER SHEET 1 A 4 CYS A 249 TRP A 259 0 SHEET 2 A 4 GLY A 262 VAL A 269 -1 N THR A 266 O THR A 254 SHEET 3 A 4 ASN A 311 MET A 318 -1 O PHE A 313 N TYR A 267 SHEET 4 A 4 THR A 286 TRP A 291 -1 N GLN A 288 O THR A 316 SHEET 1 B 4 ASN A 294 GLY A 297 0 SHEET 2 B 4 THR A 301 PRO A 306 -1 O THR A 303 N THR A 296 SHEET 3 B 4 TRP A 275 LEU A 281 -1 O LEU A 279 N ARG A 302 SHEET 4 B 4 PRO A 326 CYS A 330 -1 O ALA A 327 N ALA A 280 SSBOND *** CYS A 249 CYS A 330 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 288 GLN : amide:sc= -1.82! C(o=-2.3!,f=-7.3!) USER MOD Set 1.2: A 318 MET CE :methyl -115:sc= -0.527 (180deg=-2.16!) USER MOD Set 2.1: A 282 ASN : amide:sc= -5.72! C(o=-7.7!,f=-7.6!) USER MOD Set 2.2: A 285 GLN : amide:sc= -1.94 K(o=-7.7,f=-14!) USER MOD Set 3.1: A 268 SER OG : rot 17:sc= 1.14 USER MOD Set 3.2: A 312 THR OG1 : rot 144:sc= -0.571! USER MOD Set 4.1: A 264 ASN : amide:sc= -4.32 K(o=-3.1,f=-6.8!) USER MOD Set 4.2: A 316 THR OG1 : rot -10:sc= 1.21 USER MOD Single : A 247 THR OG1 : rot 76:sc= 0.965 USER MOD Single : A 250 SER OG : rot 180:sc= 0 USER MOD Single : A 252 THR OG1 : rot 62:sc= 1.13 USER MOD Single : A 254 THR OG1 : rot -6:sc= 0.967 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 266 THR OG1 : rot -45:sc= 0.339 USER MOD Single : A 267 TYR OH : rot 16:sc= -1.95! USER MOD Single : A 270 SER OG : rot -2:sc= 0.316! USER MOD Single : A 272 SER OG : rot 180:sc= 0 USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 276 THR OG1 : rot 180:sc= 0 USER MOD Single : A 278 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.54) USER MOD Single : A 284 SER OG : rot 180:sc= 0 USER MOD Single : A 286 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 290 SER OG : rot -140:sc= 0 USER MOD Single : A 292 ASN : amide:sc= -0.828 K(o=-0.83,f=-3.8!) USER MOD Single : A 294 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 296 THR OG1 : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 57:sc= 0.0177 USER MOD Single : A 300 SER OG : rot 180:sc= 0 USER MOD Single : A 301 THR OG1 : rot 180:sc= 0 USER MOD Single : A 303 THR OG1 : rot 180:sc= 0 USER MOD Single : A 305 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 307 ASN : amide:sc= -2.09! C(o=-2.1!,f=-1.9!) USER MOD Single : A 309 SER OG : rot 180:sc= 0 USER MOD Single : A 311 ASN : amide:sc=-0.00492 K(o=-0.0049,f=-1.5!) USER MOD Single : A 319 LYS NZ :NH3+ -109:sc= -7.26 (180deg=-14.2!) USER MOD Single : A 320 ASN : amide:sc= -0.627 K(o=-0.63,f=-2.7!) USER MOD Single : A 322 SER OG : rot 32:sc= 0.796 USER MOD Single : A 323 SER OG : rot 180:sc= 0 USER MOD Single : A 324 THR OG1 : rot 180:sc= 0 USER MOD Single : A 325 THR OG1 : rot 102:sc= -4.19! USER MOD Single : A 329 THR OG1 : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot -46:sc= 0.0356 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 247 -18.174 1.058 -10.173 1.00 4.11 N ATOM 2 CA THR A 247 -18.253 2.544 -10.243 1.00 3.28 C ATOM 3 C THR A 247 -17.396 3.152 -9.132 1.00 2.30 C ATOM 4 O THR A 247 -17.837 4.008 -8.392 1.00 2.40 O ATOM 5 CB THR A 247 -19.707 2.988 -10.066 1.00 3.56 C ATOM 6 OG1 THR A 247 -19.989 3.138 -8.682 1.00 4.02 O ATOM 7 CG2 THR A 247 -20.641 1.937 -10.668 1.00 4.18 C ATOM 0 HA THR A 247 -17.886 2.882 -11.212 1.00 3.28 H new ATOM 0 HB THR A 247 -19.861 3.940 -10.574 1.00 3.56 H new ATOM 0 HG1 THR A 247 -19.585 3.968 -8.354 1.00 4.02 H new ATOM 0 HG21 THR A 247 -21.676 2.255 -10.541 1.00 4.18 H new ATOM 0 HG22 THR A 247 -20.424 1.823 -11.730 1.00 4.18 H new ATOM 0 HG23 THR A 247 -20.490 0.983 -10.162 1.00 4.18 H new ATOM 17 N GLY A 248 -16.172 2.717 -9.009 1.00 1.92 N ATOM 18 CA GLY A 248 -15.288 3.270 -7.945 1.00 1.43 C ATOM 19 C GLY A 248 -13.826 3.153 -8.381 1.00 1.03 C ATOM 20 O GLY A 248 -13.515 2.553 -9.391 1.00 1.34 O ATOM 0 H GLY A 248 -15.746 2.003 -9.599 1.00 1.92 H new ATOM 0 HA2 GLY A 248 -15.539 4.314 -7.755 1.00 1.43 H new ATOM 0 HA3 GLY A 248 -15.444 2.730 -7.011 1.00 1.43 H new ATOM 24 N CYS A 249 -12.926 3.724 -7.628 1.00 0.61 N ATOM 25 CA CYS A 249 -11.484 3.647 -8.002 1.00 0.23 C ATOM 26 C CYS A 249 -11.047 2.183 -8.060 1.00 0.25 C ATOM 27 O CYS A 249 -11.473 1.364 -7.271 1.00 0.38 O ATOM 28 CB CYS A 249 -10.637 4.385 -6.961 1.00 0.50 C ATOM 29 SG CYS A 249 -11.327 4.118 -5.308 1.00 1.32 S ATOM 0 H CYS A 249 -13.126 4.240 -6.771 1.00 0.61 H new ATOM 0 HA CYS A 249 -11.344 4.111 -8.978 1.00 0.23 H new ATOM 0 HB2 CYS A 249 -9.608 4.028 -6.997 1.00 0.50 H new ATOM 0 HB3 CYS A 249 -10.613 5.451 -7.187 1.00 0.50 H new ATOM 34 N SER A 250 -10.193 1.849 -8.989 1.00 0.22 N ATOM 35 CA SER A 250 -9.720 0.441 -9.098 1.00 0.24 C ATOM 36 C SER A 250 -8.231 0.387 -8.757 1.00 0.19 C ATOM 37 O SER A 250 -7.383 0.424 -9.627 1.00 0.25 O ATOM 38 CB SER A 250 -9.937 -0.062 -10.526 1.00 0.32 C ATOM 39 OG SER A 250 -10.761 -1.219 -10.495 1.00 1.17 O ATOM 0 H SER A 250 -9.802 2.492 -9.678 1.00 0.22 H new ATOM 0 HA SER A 250 -10.279 -0.190 -8.406 1.00 0.24 H new ATOM 0 HB2 SER A 250 -10.404 0.715 -11.131 1.00 0.32 H new ATOM 0 HB3 SER A 250 -8.979 -0.296 -10.991 1.00 0.32 H new ATOM 0 HG SER A 250 -10.904 -1.543 -11.409 1.00 1.17 H new ATOM 45 N VAL A 251 -7.904 0.307 -7.496 1.00 0.16 N ATOM 46 CA VAL A 251 -6.468 0.260 -7.103 1.00 0.15 C ATOM 47 C VAL A 251 -5.925 -1.155 -7.297 1.00 0.16 C ATOM 48 O VAL A 251 -6.648 -2.129 -7.223 1.00 0.22 O ATOM 49 CB VAL A 251 -6.318 0.665 -5.635 1.00 0.20 C ATOM 50 CG1 VAL A 251 -7.172 -0.252 -4.757 1.00 0.26 C ATOM 51 CG2 VAL A 251 -4.850 0.539 -5.222 1.00 0.28 C ATOM 0 H VAL A 251 -8.568 0.272 -6.723 1.00 0.16 H new ATOM 0 HA VAL A 251 -5.906 0.953 -7.729 1.00 0.15 H new ATOM 0 HB VAL A 251 -6.648 1.696 -5.509 1.00 0.20 H new ATOM 0 HG11 VAL A 251 -7.063 0.039 -3.712 1.00 0.26 H new ATOM 0 HG12 VAL A 251 -8.218 -0.166 -5.050 1.00 0.26 H new ATOM 0 HG13 VAL A 251 -6.844 -1.284 -4.882 1.00 0.26 H new ATOM 0 HG21 VAL A 251 -4.740 0.827 -4.176 1.00 0.28 H new ATOM 0 HG22 VAL A 251 -4.523 -0.493 -5.350 1.00 0.28 H new ATOM 0 HG23 VAL A 251 -4.239 1.193 -5.845 1.00 0.28 H new ATOM 61 N THR A 252 -4.652 -1.270 -7.550 1.00 0.15 N ATOM 62 CA THR A 252 -4.039 -2.594 -7.757 1.00 0.19 C ATOM 63 C THR A 252 -2.779 -2.689 -6.901 1.00 0.20 C ATOM 64 O THR A 252 -2.322 -1.715 -6.338 1.00 0.20 O ATOM 65 CB THR A 252 -3.668 -2.736 -9.228 1.00 0.24 C ATOM 66 OG1 THR A 252 -3.898 -1.501 -9.892 1.00 1.06 O ATOM 67 CG2 THR A 252 -4.523 -3.826 -9.865 1.00 1.05 C ATOM 0 H THR A 252 -4.006 -0.484 -7.622 1.00 0.15 H new ATOM 0 HA THR A 252 -4.734 -3.385 -7.476 1.00 0.19 H new ATOM 0 HB THR A 252 -2.616 -3.006 -9.316 1.00 0.24 H new ATOM 0 HG1 THR A 252 -3.331 -0.807 -9.497 1.00 1.06 H new ATOM 0 HG21 THR A 252 -4.258 -3.928 -10.917 1.00 1.05 H new ATOM 0 HG22 THR A 252 -4.347 -4.772 -9.353 1.00 1.05 H new ATOM 0 HG23 THR A 252 -5.576 -3.558 -9.780 1.00 1.05 H new ATOM 75 N ALA A 253 -2.216 -3.853 -6.802 1.00 0.26 N ATOM 76 CA ALA A 253 -0.983 -4.021 -5.982 1.00 0.31 C ATOM 77 C ALA A 253 0.147 -4.574 -6.853 1.00 0.30 C ATOM 78 O ALA A 253 -0.083 -5.127 -7.910 1.00 0.33 O ATOM 79 CB ALA A 253 -1.265 -4.993 -4.836 1.00 0.39 C ATOM 0 H ALA A 253 -2.555 -4.702 -7.254 1.00 0.26 H new ATOM 0 HA ALA A 253 -0.684 -3.054 -5.578 1.00 0.31 H new ATOM 0 HB1 ALA A 253 -0.364 -5.118 -4.235 1.00 0.39 H new ATOM 0 HB2 ALA A 253 -2.066 -4.597 -4.212 1.00 0.39 H new ATOM 0 HB3 ALA A 253 -1.566 -5.958 -5.243 1.00 0.39 H new ATOM 85 N THR A 254 1.368 -4.429 -6.414 1.00 0.33 N ATOM 86 CA THR A 254 2.516 -4.945 -7.211 1.00 0.37 C ATOM 87 C THR A 254 3.782 -4.921 -6.352 1.00 0.39 C ATOM 88 O THR A 254 4.356 -3.879 -6.104 1.00 0.67 O ATOM 89 CB THR A 254 2.719 -4.061 -8.444 1.00 0.42 C ATOM 90 OG1 THR A 254 1.665 -4.293 -9.369 1.00 0.45 O ATOM 91 CG2 THR A 254 4.059 -4.396 -9.100 1.00 0.49 C ATOM 0 H THR A 254 1.620 -3.975 -5.536 1.00 0.33 H new ATOM 0 HA THR A 254 2.310 -5.967 -7.528 1.00 0.37 H new ATOM 0 HB THR A 254 2.717 -3.013 -8.145 1.00 0.42 H new ATOM 0 HG1 THR A 254 1.107 -5.033 -9.050 1.00 0.45 H new ATOM 0 HG21 THR A 254 4.202 -3.766 -9.978 1.00 0.49 H new ATOM 0 HG22 THR A 254 4.866 -4.218 -8.390 1.00 0.49 H new ATOM 0 HG23 THR A 254 4.065 -5.444 -9.401 1.00 0.49 H new ATOM 99 N ARG A 255 4.222 -6.061 -5.893 1.00 0.34 N ATOM 100 CA ARG A 255 5.449 -6.102 -5.048 1.00 0.35 C ATOM 101 C ARG A 255 6.632 -5.531 -5.833 1.00 0.32 C ATOM 102 O ARG A 255 6.958 -5.995 -6.907 1.00 0.35 O ATOM 103 CB ARG A 255 5.750 -7.551 -4.657 1.00 0.42 C ATOM 104 CG ARG A 255 4.762 -8.007 -3.582 1.00 0.54 C ATOM 105 CD ARG A 255 5.471 -8.940 -2.599 1.00 1.06 C ATOM 106 NE ARG A 255 6.238 -9.969 -3.356 1.00 1.00 N ATOM 107 CZ ARG A 255 6.044 -11.237 -3.113 1.00 1.44 C ATOM 108 NH1 ARG A 255 5.664 -11.622 -1.926 1.00 2.20 N ATOM 109 NH2 ARG A 255 6.232 -12.118 -4.056 1.00 2.01 N ATOM 0 H ARG A 255 3.785 -6.966 -6.067 1.00 0.34 H new ATOM 0 HA ARG A 255 5.289 -5.507 -4.149 1.00 0.35 H new ATOM 0 HB2 ARG A 255 5.676 -8.197 -5.531 1.00 0.42 H new ATOM 0 HB3 ARG A 255 6.771 -7.634 -4.285 1.00 0.42 H new ATOM 0 HG2 ARG A 255 4.359 -7.143 -3.053 1.00 0.54 H new ATOM 0 HG3 ARG A 255 3.918 -8.521 -4.043 1.00 0.54 H new ATOM 0 HD2 ARG A 255 6.143 -8.368 -1.959 1.00 1.06 H new ATOM 0 HD3 ARG A 255 4.742 -9.421 -1.947 1.00 1.06 H new ATOM 0 HE ARG A 255 6.914 -9.683 -4.064 1.00 1.00 H new ATOM 0 HH11 ARG A 255 5.519 -10.933 -1.188 1.00 2.20 H new ATOM 0 HH12 ARG A 255 5.512 -12.612 -1.735 1.00 2.20 H new ATOM 0 HH21 ARG A 255 6.531 -11.816 -4.984 1.00 2.01 H new ATOM 0 HH22 ARG A 255 6.080 -13.109 -3.866 1.00 2.01 H new ATOM 123 N ALA A 256 7.278 -4.527 -5.305 1.00 0.32 N ATOM 124 CA ALA A 256 8.439 -3.929 -6.024 1.00 0.33 C ATOM 125 C ALA A 256 9.744 -4.441 -5.405 1.00 0.31 C ATOM 126 O ALA A 256 10.319 -5.409 -5.862 1.00 0.42 O ATOM 127 CB ALA A 256 8.382 -2.404 -5.909 1.00 0.37 C ATOM 0 H ALA A 256 7.053 -4.096 -4.409 1.00 0.32 H new ATOM 0 HA ALA A 256 8.400 -4.215 -7.075 1.00 0.33 H new ATOM 0 HB1 ALA A 256 9.231 -1.967 -6.435 1.00 0.37 H new ATOM 0 HB2 ALA A 256 7.455 -2.040 -6.352 1.00 0.37 H new ATOM 0 HB3 ALA A 256 8.419 -2.117 -4.858 1.00 0.37 H new ATOM 133 N GLU A 257 10.216 -3.799 -4.371 1.00 0.30 N ATOM 134 CA GLU A 257 11.484 -4.250 -3.729 1.00 0.27 C ATOM 135 C GLU A 257 11.167 -5.268 -2.631 1.00 0.24 C ATOM 136 O GLU A 257 10.031 -5.429 -2.231 1.00 0.24 O ATOM 137 CB GLU A 257 12.199 -3.045 -3.117 1.00 0.28 C ATOM 138 CG GLU A 257 12.215 -1.894 -4.124 1.00 0.34 C ATOM 139 CD GLU A 257 12.703 -2.407 -5.479 1.00 0.92 C ATOM 140 OE1 GLU A 257 13.859 -2.790 -5.564 1.00 1.63 O ATOM 141 OE2 GLU A 257 11.914 -2.410 -6.409 1.00 1.59 O ATOM 0 H GLU A 257 9.779 -2.983 -3.943 1.00 0.30 H new ATOM 0 HA GLU A 257 12.127 -4.713 -4.478 1.00 0.27 H new ATOM 0 HB2 GLU A 257 11.693 -2.735 -2.203 1.00 0.28 H new ATOM 0 HB3 GLU A 257 13.218 -3.315 -2.842 1.00 0.28 H new ATOM 0 HG2 GLU A 257 11.216 -1.469 -4.223 1.00 0.34 H new ATOM 0 HG3 GLU A 257 12.867 -1.096 -3.769 1.00 0.34 H new ATOM 148 N GLU A 258 12.161 -5.960 -2.140 1.00 0.25 N ATOM 149 CA GLU A 258 11.906 -6.966 -1.070 1.00 0.26 C ATOM 150 C GLU A 258 13.233 -7.471 -0.494 1.00 0.28 C ATOM 151 O GLU A 258 14.223 -7.584 -1.189 1.00 0.35 O ATOM 152 CB GLU A 258 11.126 -8.144 -1.657 1.00 0.30 C ATOM 153 CG GLU A 258 10.957 -9.228 -0.590 1.00 0.77 C ATOM 154 CD GLU A 258 10.679 -10.572 -1.266 1.00 1.24 C ATOM 155 OE1 GLU A 258 10.025 -10.570 -2.296 1.00 1.83 O ATOM 156 OE2 GLU A 258 11.125 -11.579 -0.743 1.00 1.90 O ATOM 0 H GLU A 258 13.134 -5.872 -2.433 1.00 0.25 H new ATOM 0 HA GLU A 258 11.327 -6.500 -0.273 1.00 0.26 H new ATOM 0 HB2 GLU A 258 10.150 -7.809 -2.008 1.00 0.30 H new ATOM 0 HB3 GLU A 258 11.653 -8.548 -2.521 1.00 0.30 H new ATOM 0 HG2 GLU A 258 11.857 -9.296 0.020 1.00 0.77 H new ATOM 0 HG3 GLU A 258 10.137 -8.969 0.079 1.00 0.77 H new ATOM 163 N TRP A 259 13.251 -7.786 0.774 1.00 0.26 N ATOM 164 CA TRP A 259 14.500 -8.297 1.408 1.00 0.30 C ATOM 165 C TRP A 259 14.128 -9.133 2.636 1.00 0.35 C ATOM 166 O TRP A 259 12.979 -9.471 2.840 1.00 0.36 O ATOM 167 CB TRP A 259 15.387 -7.122 1.831 1.00 0.31 C ATOM 168 CG TRP A 259 14.540 -6.045 2.424 1.00 0.30 C ATOM 169 CD1 TRP A 259 14.243 -5.925 3.737 1.00 0.33 C ATOM 170 CD2 TRP A 259 13.882 -4.936 1.752 1.00 0.26 C ATOM 171 NE1 TRP A 259 13.436 -4.815 3.912 1.00 0.32 N ATOM 172 CE2 TRP A 259 13.187 -4.171 2.717 1.00 0.28 C ATOM 173 CE3 TRP A 259 13.821 -4.526 0.410 1.00 0.24 C ATOM 174 CZ2 TRP A 259 12.455 -3.037 2.361 1.00 0.27 C ATOM 175 CZ3 TRP A 259 13.088 -3.386 0.049 1.00 0.23 C ATOM 176 CH2 TRP A 259 12.406 -2.643 1.021 1.00 0.25 C ATOM 0 H TRP A 259 12.450 -7.711 1.400 1.00 0.26 H new ATOM 0 HA TRP A 259 15.048 -8.913 0.695 1.00 0.30 H new ATOM 0 HB2 TRP A 259 16.129 -7.456 2.556 1.00 0.31 H new ATOM 0 HB3 TRP A 259 15.933 -6.737 0.970 1.00 0.31 H new ATOM 0 HD1 TRP A 259 14.580 -6.587 4.521 1.00 0.33 H new ATOM 0 HE1 TRP A 259 13.070 -4.510 4.814 1.00 0.32 H new ATOM 0 HE3 TRP A 259 14.342 -5.092 -0.348 1.00 0.24 H new ATOM 0 HZ2 TRP A 259 11.931 -2.469 3.115 1.00 0.27 H new ATOM 0 HZ3 TRP A 259 13.049 -3.079 -0.986 1.00 0.23 H new ATOM 0 HH2 TRP A 259 11.843 -1.767 0.735 1.00 0.25 H new ATOM 187 N SER A 260 15.087 -9.478 3.450 1.00 0.40 N ATOM 188 CA SER A 260 14.780 -10.299 4.657 1.00 0.46 C ATOM 189 C SER A 260 14.288 -9.398 5.795 1.00 0.49 C ATOM 190 O SER A 260 14.662 -9.569 6.938 1.00 0.78 O ATOM 191 CB SER A 260 16.044 -11.035 5.104 1.00 0.51 C ATOM 192 OG SER A 260 16.222 -12.193 4.299 1.00 1.02 O ATOM 0 H SER A 260 16.069 -9.228 3.333 1.00 0.40 H new ATOM 0 HA SER A 260 14.000 -11.019 4.410 1.00 0.46 H new ATOM 0 HB2 SER A 260 16.911 -10.380 5.016 1.00 0.51 H new ATOM 0 HB3 SER A 260 15.963 -11.317 6.154 1.00 0.51 H new ATOM 0 HG SER A 260 17.032 -12.666 4.582 1.00 1.02 H new ATOM 198 N ASP A 261 13.453 -8.440 5.495 1.00 0.39 N ATOM 199 CA ASP A 261 12.943 -7.536 6.564 1.00 0.40 C ATOM 200 C ASP A 261 11.612 -6.913 6.127 1.00 0.34 C ATOM 201 O ASP A 261 10.711 -6.733 6.922 1.00 0.42 O ATOM 202 CB ASP A 261 13.965 -6.428 6.814 1.00 0.47 C ATOM 203 CG ASP A 261 13.984 -6.075 8.302 1.00 0.63 C ATOM 204 OD1 ASP A 261 13.872 -6.985 9.108 1.00 1.14 O ATOM 205 OD2 ASP A 261 14.110 -4.902 8.611 1.00 1.45 O ATOM 0 H ASP A 261 13.103 -8.245 4.557 1.00 0.39 H new ATOM 0 HA ASP A 261 12.787 -8.108 7.479 1.00 0.40 H new ATOM 0 HB2 ASP A 261 14.955 -6.753 6.494 1.00 0.47 H new ATOM 0 HB3 ASP A 261 13.713 -5.547 6.224 1.00 0.47 H new ATOM 210 N GLY A 262 11.483 -6.580 4.872 1.00 0.40 N ATOM 211 CA GLY A 262 10.215 -5.967 4.386 1.00 0.34 C ATOM 212 C GLY A 262 10.282 -5.803 2.868 1.00 0.35 C ATOM 213 O GLY A 262 11.323 -5.968 2.263 1.00 0.49 O ATOM 0 H GLY A 262 12.203 -6.706 4.161 1.00 0.40 H new ATOM 0 HA2 GLY A 262 9.367 -6.595 4.658 1.00 0.34 H new ATOM 0 HA3 GLY A 262 10.060 -4.998 4.861 1.00 0.34 H new ATOM 217 N PHE A 263 9.184 -5.478 2.245 1.00 0.28 N ATOM 218 CA PHE A 263 9.198 -5.305 0.766 1.00 0.29 C ATOM 219 C PHE A 263 8.475 -4.010 0.390 1.00 0.30 C ATOM 220 O PHE A 263 7.454 -3.671 0.952 1.00 0.34 O ATOM 221 CB PHE A 263 8.504 -6.495 0.100 1.00 0.32 C ATOM 222 CG PHE A 263 7.223 -6.828 0.832 1.00 0.24 C ATOM 223 CD1 PHE A 263 7.269 -7.455 2.085 1.00 1.21 C ATOM 224 CD2 PHE A 263 5.987 -6.521 0.249 1.00 1.17 C ATOM 225 CE1 PHE A 263 6.079 -7.775 2.750 1.00 1.18 C ATOM 226 CE2 PHE A 263 4.800 -6.839 0.917 1.00 1.18 C ATOM 227 CZ PHE A 263 4.844 -7.467 2.165 1.00 0.22 C ATOM 0 H PHE A 263 8.281 -5.325 2.694 1.00 0.28 H new ATOM 0 HA PHE A 263 10.231 -5.253 0.421 1.00 0.29 H new ATOM 0 HB2 PHE A 263 8.286 -6.262 -0.942 1.00 0.32 H new ATOM 0 HB3 PHE A 263 9.168 -7.360 0.101 1.00 0.32 H new ATOM 0 HD1 PHE A 263 8.221 -7.691 2.537 1.00 1.21 H new ATOM 0 HD2 PHE A 263 5.950 -6.039 -0.717 1.00 1.17 H new ATOM 0 HE1 PHE A 263 6.113 -8.260 3.715 1.00 1.18 H new ATOM 0 HE2 PHE A 263 3.848 -6.599 0.468 1.00 1.18 H new ATOM 0 HZ PHE A 263 3.926 -7.715 2.678 1.00 0.22 H new ATOM 237 N ASN A 264 9.001 -3.284 -0.559 1.00 0.29 N ATOM 238 CA ASN A 264 8.348 -2.011 -0.971 1.00 0.32 C ATOM 239 C ASN A 264 7.172 -2.318 -1.897 1.00 0.36 C ATOM 240 O ASN A 264 7.325 -2.427 -3.097 1.00 0.73 O ATOM 241 CB ASN A 264 9.359 -1.134 -1.713 1.00 0.32 C ATOM 242 CG ASN A 264 10.431 -0.649 -0.736 1.00 0.99 C ATOM 243 OD1 ASN A 264 10.131 -0.298 0.388 1.00 1.38 O ATOM 244 ND2 ASN A 264 11.677 -0.613 -1.121 1.00 1.41 N ATOM 0 H ASN A 264 9.854 -3.518 -1.066 1.00 0.29 H new ATOM 0 HA ASN A 264 7.990 -1.486 -0.086 1.00 0.32 H new ATOM 0 HB2 ASN A 264 9.820 -1.699 -2.523 1.00 0.32 H new ATOM 0 HB3 ASN A 264 8.853 -0.282 -2.166 1.00 0.32 H new ATOM 0 HD21 ASN A 264 12.400 -0.290 -0.478 1.00 1.41 H new ATOM 0 HD22 ASN A 264 11.928 -0.908 -2.065 1.00 1.41 H new ATOM 251 N VAL A 265 5.997 -2.455 -1.349 1.00 0.23 N ATOM 252 CA VAL A 265 4.811 -2.751 -2.196 1.00 0.25 C ATOM 253 C VAL A 265 4.457 -1.508 -3.013 1.00 0.20 C ATOM 254 O VAL A 265 4.647 -0.392 -2.574 1.00 0.21 O ATOM 255 CB VAL A 265 3.631 -3.133 -1.296 1.00 0.36 C ATOM 256 CG1 VAL A 265 2.312 -2.726 -1.957 1.00 0.38 C ATOM 257 CG2 VAL A 265 3.633 -4.644 -1.074 1.00 0.46 C ATOM 0 H VAL A 265 5.808 -2.374 -0.350 1.00 0.23 H new ATOM 0 HA VAL A 265 5.032 -3.578 -2.871 1.00 0.25 H new ATOM 0 HB VAL A 265 3.730 -2.615 -0.342 1.00 0.36 H new ATOM 0 HG11 VAL A 265 1.480 -3.002 -1.309 1.00 0.38 H new ATOM 0 HG12 VAL A 265 2.304 -1.648 -2.119 1.00 0.38 H new ATOM 0 HG13 VAL A 265 2.212 -3.238 -2.914 1.00 0.38 H new ATOM 0 HG21 VAL A 265 2.795 -4.919 -0.434 1.00 0.46 H new ATOM 0 HG22 VAL A 265 3.539 -5.153 -2.033 1.00 0.46 H new ATOM 0 HG23 VAL A 265 4.567 -4.940 -0.596 1.00 0.46 H new ATOM 267 N THR A 266 3.938 -1.691 -4.194 1.00 0.26 N ATOM 268 CA THR A 266 3.568 -0.517 -5.029 1.00 0.22 C ATOM 269 C THR A 266 2.137 -0.684 -5.538 1.00 0.17 C ATOM 270 O THR A 266 1.893 -1.330 -6.538 1.00 0.19 O ATOM 271 CB THR A 266 4.519 -0.409 -6.220 1.00 0.28 C ATOM 272 OG1 THR A 266 4.592 -1.663 -6.883 1.00 0.32 O ATOM 273 CG2 THR A 266 5.910 -0.004 -5.732 1.00 0.34 C ATOM 0 H THR A 266 3.754 -2.601 -4.616 1.00 0.26 H new ATOM 0 HA THR A 266 3.639 0.388 -4.426 1.00 0.22 H new ATOM 0 HB THR A 266 4.147 0.346 -6.913 1.00 0.28 H new ATOM 0 HG1 THR A 266 4.683 -2.379 -6.220 1.00 0.32 H new ATOM 0 HG21 THR A 266 6.586 0.072 -6.583 1.00 0.34 H new ATOM 0 HG22 THR A 266 5.852 0.960 -5.227 1.00 0.34 H new ATOM 0 HG23 THR A 266 6.285 -0.755 -5.037 1.00 0.34 H new ATOM 281 N TYR A 267 1.191 -0.099 -4.862 1.00 0.16 N ATOM 282 CA TYR A 267 -0.225 -0.213 -5.311 1.00 0.17 C ATOM 283 C TYR A 267 -0.478 0.836 -6.397 1.00 0.22 C ATOM 284 O TYR A 267 -0.209 2.007 -6.213 1.00 0.33 O ATOM 285 CB TYR A 267 -1.162 0.032 -4.124 1.00 0.23 C ATOM 286 CG TYR A 267 -1.264 -1.221 -3.279 1.00 0.14 C ATOM 287 CD1 TYR A 267 -2.211 -2.204 -3.592 1.00 1.20 C ATOM 288 CD2 TYR A 267 -0.415 -1.398 -2.177 1.00 1.19 C ATOM 289 CE1 TYR A 267 -2.310 -3.360 -2.806 1.00 1.25 C ATOM 290 CE2 TYR A 267 -0.514 -2.555 -1.392 1.00 1.19 C ATOM 291 CZ TYR A 267 -1.462 -3.536 -1.706 1.00 0.37 C ATOM 292 OH TYR A 267 -1.562 -4.679 -0.935 1.00 0.53 O ATOM 0 H TYR A 267 1.336 0.454 -4.017 1.00 0.16 H new ATOM 0 HA TYR A 267 -0.413 -1.211 -5.708 1.00 0.17 H new ATOM 0 HB2 TYR A 267 -0.789 0.859 -3.520 1.00 0.23 H new ATOM 0 HB3 TYR A 267 -2.150 0.320 -4.483 1.00 0.23 H new ATOM 0 HD1 TYR A 267 -2.866 -2.071 -4.440 1.00 1.20 H new ATOM 0 HD2 TYR A 267 0.316 -0.642 -1.933 1.00 1.19 H new ATOM 0 HE1 TYR A 267 -3.042 -4.116 -3.049 1.00 1.25 H new ATOM 0 HE2 TYR A 267 0.142 -2.690 -0.544 1.00 1.19 H new ATOM 0 HH TYR A 267 -2.074 -5.358 -1.422 1.00 0.53 H new ATOM 302 N SER A 268 -0.976 0.429 -7.532 1.00 0.21 N ATOM 303 CA SER A 268 -1.222 1.410 -8.629 1.00 0.24 C ATOM 304 C SER A 268 -2.712 1.746 -8.714 1.00 0.22 C ATOM 305 O SER A 268 -3.537 0.897 -8.984 1.00 0.23 O ATOM 306 CB SER A 268 -0.762 0.811 -9.958 1.00 0.31 C ATOM 307 OG SER A 268 -0.576 1.855 -10.905 1.00 1.24 O ATOM 0 H SER A 268 -1.223 -0.537 -7.748 1.00 0.21 H new ATOM 0 HA SER A 268 -0.663 2.322 -8.420 1.00 0.24 H new ATOM 0 HB2 SER A 268 0.168 0.260 -9.819 1.00 0.31 H new ATOM 0 HB3 SER A 268 -1.502 0.099 -10.325 1.00 0.31 H new ATOM 0 HG SER A 268 -0.525 2.715 -10.438 1.00 1.24 H new ATOM 313 N VAL A 269 -3.062 2.985 -8.496 1.00 0.23 N ATOM 314 CA VAL A 269 -4.496 3.380 -8.572 1.00 0.24 C ATOM 315 C VAL A 269 -4.834 3.789 -10.007 1.00 0.25 C ATOM 316 O VAL A 269 -4.042 4.410 -10.688 1.00 0.26 O ATOM 317 CB VAL A 269 -4.754 4.559 -7.632 1.00 0.25 C ATOM 318 CG1 VAL A 269 -6.193 5.046 -7.806 1.00 0.28 C ATOM 319 CG2 VAL A 269 -4.540 4.111 -6.185 1.00 0.31 C ATOM 0 H VAL A 269 -2.416 3.740 -8.268 1.00 0.23 H new ATOM 0 HA VAL A 269 -5.121 2.538 -8.275 1.00 0.24 H new ATOM 0 HB VAL A 269 -4.065 5.370 -7.869 1.00 0.25 H new ATOM 0 HG11 VAL A 269 -6.376 5.886 -7.136 1.00 0.28 H new ATOM 0 HG12 VAL A 269 -6.347 5.364 -8.837 1.00 0.28 H new ATOM 0 HG13 VAL A 269 -6.882 4.236 -7.569 1.00 0.28 H new ATOM 0 HG21 VAL A 269 -4.723 4.950 -5.514 1.00 0.31 H new ATOM 0 HG22 VAL A 269 -5.229 3.300 -5.949 1.00 0.31 H new ATOM 0 HG23 VAL A 269 -3.515 3.763 -6.060 1.00 0.31 H new ATOM 329 N SER A 270 -6.003 3.445 -10.474 1.00 0.31 N ATOM 330 CA SER A 270 -6.387 3.815 -11.865 1.00 0.33 C ATOM 331 C SER A 270 -7.909 3.940 -11.958 1.00 0.36 C ATOM 332 O SER A 270 -8.640 3.069 -11.531 1.00 0.51 O ATOM 333 CB SER A 270 -5.905 2.732 -12.832 1.00 0.37 C ATOM 334 OG SER A 270 -6.806 1.634 -12.794 1.00 1.35 O ATOM 0 H SER A 270 -6.708 2.924 -9.953 1.00 0.31 H new ATOM 0 HA SER A 270 -5.927 4.768 -12.127 1.00 0.33 H new ATOM 0 HB2 SER A 270 -5.844 3.133 -13.844 1.00 0.37 H new ATOM 0 HB3 SER A 270 -4.902 2.404 -12.558 1.00 0.37 H new ATOM 0 HG SER A 270 -7.511 1.812 -12.138 1.00 1.35 H new ATOM 340 N GLY A 271 -8.391 5.018 -12.513 1.00 0.32 N ATOM 341 CA GLY A 271 -9.866 5.198 -12.632 1.00 0.35 C ATOM 342 C GLY A 271 -10.245 6.613 -12.195 1.00 0.33 C ATOM 343 O GLY A 271 -11.107 7.242 -12.776 1.00 0.36 O ATOM 0 H GLY A 271 -7.828 5.781 -12.889 1.00 0.32 H new ATOM 0 HA2 GLY A 271 -10.182 5.027 -13.661 1.00 0.35 H new ATOM 0 HA3 GLY A 271 -10.383 4.464 -12.014 1.00 0.35 H new ATOM 347 N SER A 272 -9.610 7.117 -11.174 1.00 0.29 N ATOM 348 CA SER A 272 -9.936 8.491 -10.698 1.00 0.32 C ATOM 349 C SER A 272 -8.784 9.026 -9.847 1.00 0.28 C ATOM 350 O SER A 272 -7.861 8.310 -9.512 1.00 0.24 O ATOM 351 CB SER A 272 -11.208 8.447 -9.852 1.00 0.37 C ATOM 352 OG SER A 272 -12.024 9.566 -10.171 1.00 1.06 O ATOM 0 H SER A 272 -8.879 6.637 -10.648 1.00 0.29 H new ATOM 0 HA SER A 272 -10.088 9.144 -11.557 1.00 0.32 H new ATOM 0 HB2 SER A 272 -11.751 7.521 -10.040 1.00 0.37 H new ATOM 0 HB3 SER A 272 -10.954 8.458 -8.792 1.00 0.37 H new ATOM 0 HG SER A 272 -12.841 9.539 -9.631 1.00 1.06 H new ATOM 358 N SER A 273 -8.835 10.279 -9.489 1.00 0.29 N ATOM 359 CA SER A 273 -7.748 10.860 -8.653 1.00 0.28 C ATOM 360 C SER A 273 -8.199 10.885 -7.192 1.00 0.26 C ATOM 361 O SER A 273 -7.454 10.539 -6.297 1.00 0.25 O ATOM 362 CB SER A 273 -7.447 12.285 -9.121 1.00 0.33 C ATOM 363 OG SER A 273 -7.128 12.266 -10.506 1.00 1.34 O ATOM 0 H SER A 273 -9.583 10.926 -9.739 1.00 0.29 H new ATOM 0 HA SER A 273 -6.847 10.253 -8.749 1.00 0.28 H new ATOM 0 HB2 SER A 273 -8.309 12.928 -8.943 1.00 0.33 H new ATOM 0 HB3 SER A 273 -6.616 12.700 -8.550 1.00 0.33 H new ATOM 0 HG SER A 273 -6.936 13.178 -10.810 1.00 1.34 H new ATOM 369 N ALA A 274 -9.417 11.283 -6.945 1.00 0.29 N ATOM 370 CA ALA A 274 -9.917 11.320 -5.543 1.00 0.30 C ATOM 371 C ALA A 274 -10.326 9.908 -5.124 1.00 0.28 C ATOM 372 O ALA A 274 -11.494 9.574 -5.081 1.00 0.38 O ATOM 373 CB ALA A 274 -11.126 12.254 -5.453 1.00 0.35 C ATOM 0 H ALA A 274 -10.086 11.584 -7.653 1.00 0.29 H new ATOM 0 HA ALA A 274 -9.133 11.688 -4.881 1.00 0.30 H new ATOM 0 HB1 ALA A 274 -11.490 12.280 -4.426 1.00 0.35 H new ATOM 0 HB2 ALA A 274 -10.833 13.258 -5.759 1.00 0.35 H new ATOM 0 HB3 ALA A 274 -11.916 11.890 -6.109 1.00 0.35 H new ATOM 379 N TRP A 275 -9.370 9.074 -4.827 1.00 0.21 N ATOM 380 CA TRP A 275 -9.691 7.678 -4.422 1.00 0.19 C ATOM 381 C TRP A 275 -9.076 7.388 -3.053 1.00 0.19 C ATOM 382 O TRP A 275 -8.289 8.158 -2.540 1.00 0.24 O ATOM 383 CB TRP A 275 -9.101 6.716 -5.452 1.00 0.18 C ATOM 384 CG TRP A 275 -7.675 7.081 -5.695 1.00 0.17 C ATOM 385 CD1 TRP A 275 -7.252 7.895 -6.686 1.00 0.19 C ATOM 386 CD2 TRP A 275 -6.484 6.675 -4.957 1.00 0.15 C ATOM 387 NE1 TRP A 275 -5.876 8.015 -6.609 1.00 0.18 N ATOM 388 CE2 TRP A 275 -5.356 7.282 -5.559 1.00 0.16 C ATOM 389 CE3 TRP A 275 -6.273 5.847 -3.837 1.00 0.14 C ATOM 390 CZ2 TRP A 275 -4.066 7.078 -5.069 1.00 0.16 C ATOM 391 CZ3 TRP A 275 -4.974 5.640 -3.341 1.00 0.14 C ATOM 392 CH2 TRP A 275 -3.874 6.255 -3.956 1.00 0.15 C ATOM 0 H TRP A 275 -8.376 9.300 -4.847 1.00 0.21 H new ATOM 0 HA TRP A 275 -10.772 7.550 -4.368 1.00 0.19 H new ATOM 0 HB2 TRP A 275 -9.171 5.690 -5.092 1.00 0.18 H new ATOM 0 HB3 TRP A 275 -9.667 6.767 -6.382 1.00 0.18 H new ATOM 0 HD1 TRP A 275 -7.884 8.374 -7.419 1.00 0.19 H new ATOM 0 HE1 TRP A 275 -5.314 8.576 -7.249 1.00 0.18 H new ATOM 0 HE3 TRP A 275 -7.114 5.369 -3.357 1.00 0.14 H new ATOM 0 HZ2 TRP A 275 -3.222 7.553 -5.546 1.00 0.16 H new ATOM 0 HZ3 TRP A 275 -4.822 5.004 -2.482 1.00 0.14 H new ATOM 0 HH2 TRP A 275 -2.879 6.093 -3.570 1.00 0.15 H new ATOM 403 N THR A 276 -9.423 6.279 -2.460 1.00 0.20 N ATOM 404 CA THR A 276 -8.850 5.941 -1.129 1.00 0.20 C ATOM 405 C THR A 276 -8.507 4.452 -1.088 1.00 0.21 C ATOM 406 O THR A 276 -9.370 3.603 -1.183 1.00 0.30 O ATOM 407 CB THR A 276 -9.869 6.264 -0.033 1.00 0.23 C ATOM 408 OG1 THR A 276 -10.230 7.636 -0.115 1.00 0.33 O ATOM 409 CG2 THR A 276 -9.256 5.976 1.338 1.00 0.35 C ATOM 0 H THR A 276 -10.077 5.594 -2.839 1.00 0.20 H new ATOM 0 HA THR A 276 -7.946 6.527 -0.963 1.00 0.20 H new ATOM 0 HB THR A 276 -10.756 5.646 -0.167 1.00 0.23 H new ATOM 0 HG1 THR A 276 -10.884 7.845 0.585 1.00 0.33 H new ATOM 0 HG21 THR A 276 -9.983 6.206 2.117 1.00 0.35 H new ATOM 0 HG22 THR A 276 -8.980 4.923 1.399 1.00 0.35 H new ATOM 0 HG23 THR A 276 -8.368 6.593 1.476 1.00 0.35 H new ATOM 417 N VAL A 277 -7.250 4.129 -0.951 1.00 0.20 N ATOM 418 CA VAL A 277 -6.850 2.696 -0.909 1.00 0.22 C ATOM 419 C VAL A 277 -6.554 2.286 0.536 1.00 0.21 C ATOM 420 O VAL A 277 -5.489 2.546 1.060 1.00 0.23 O ATOM 421 CB VAL A 277 -5.598 2.495 -1.765 1.00 0.24 C ATOM 422 CG1 VAL A 277 -4.989 1.123 -1.469 1.00 0.30 C ATOM 423 CG2 VAL A 277 -5.977 2.575 -3.245 1.00 0.28 C ATOM 0 H VAL A 277 -6.483 4.796 -0.866 1.00 0.20 H new ATOM 0 HA VAL A 277 -7.661 2.081 -1.298 1.00 0.22 H new ATOM 0 HB VAL A 277 -4.870 3.272 -1.531 1.00 0.24 H new ATOM 0 HG11 VAL A 277 -4.097 0.981 -2.080 1.00 0.30 H new ATOM 0 HG12 VAL A 277 -4.720 1.064 -0.414 1.00 0.30 H new ATOM 0 HG13 VAL A 277 -5.716 0.345 -1.702 1.00 0.30 H new ATOM 0 HG21 VAL A 277 -5.086 2.432 -3.857 1.00 0.28 H new ATOM 0 HG22 VAL A 277 -6.705 1.798 -3.477 1.00 0.28 H new ATOM 0 HG23 VAL A 277 -6.410 3.552 -3.457 1.00 0.28 H new ATOM 433 N ASN A 278 -7.487 1.644 1.184 1.00 0.21 N ATOM 434 CA ASN A 278 -7.255 1.216 2.592 1.00 0.23 C ATOM 435 C ASN A 278 -6.231 0.079 2.613 1.00 0.22 C ATOM 436 O ASN A 278 -6.518 -1.035 2.223 1.00 0.29 O ATOM 437 CB ASN A 278 -8.572 0.729 3.201 1.00 0.28 C ATOM 438 CG ASN A 278 -8.496 0.825 4.725 1.00 0.54 C ATOM 439 OD1 ASN A 278 -8.162 1.861 5.264 1.00 1.42 O ATOM 440 ND2 ASN A 278 -8.794 -0.220 5.449 1.00 0.93 N ATOM 0 H ASN A 278 -8.399 1.398 0.800 1.00 0.21 H new ATOM 0 HA ASN A 278 -6.877 2.058 3.172 1.00 0.23 H new ATOM 0 HB2 ASN A 278 -9.401 1.331 2.829 1.00 0.28 H new ATOM 0 HB3 ASN A 278 -8.765 -0.301 2.900 1.00 0.28 H new ATOM 0 HD21 ASN A 278 -8.746 -0.166 6.466 1.00 0.93 H new ATOM 0 HD22 ASN A 278 -9.075 -1.090 4.997 1.00 0.93 H new ATOM 447 N LEU A 279 -5.037 0.351 3.064 1.00 0.27 N ATOM 448 CA LEU A 279 -3.996 -0.713 3.108 1.00 0.26 C ATOM 449 C LEU A 279 -4.220 -1.597 4.336 1.00 0.23 C ATOM 450 O LEU A 279 -4.628 -1.133 5.382 1.00 0.34 O ATOM 451 CB LEU A 279 -2.611 -0.069 3.189 1.00 0.36 C ATOM 452 CG LEU A 279 -2.118 0.262 1.780 1.00 0.40 C ATOM 453 CD1 LEU A 279 -0.695 0.818 1.853 1.00 1.17 C ATOM 454 CD2 LEU A 279 -2.124 -1.009 0.927 1.00 1.10 C ATOM 0 H LEU A 279 -4.738 1.265 3.404 1.00 0.27 H new ATOM 0 HA LEU A 279 -4.062 -1.322 2.206 1.00 0.26 H new ATOM 0 HB2 LEU A 279 -2.655 0.838 3.793 1.00 0.36 H new ATOM 0 HB3 LEU A 279 -1.912 -0.746 3.681 1.00 0.36 H new ATOM 0 HG LEU A 279 -2.776 1.006 1.331 1.00 0.40 H new ATOM 0 HD11 LEU A 279 -0.344 1.054 0.848 1.00 1.17 H new ATOM 0 HD12 LEU A 279 -0.689 1.723 2.461 1.00 1.17 H new ATOM 0 HD13 LEU A 279 -0.036 0.074 2.302 1.00 1.17 H new ATOM 0 HD21 LEU A 279 -1.773 -0.774 -0.078 1.00 1.10 H new ATOM 0 HD22 LEU A 279 -1.466 -1.752 1.377 1.00 1.10 H new ATOM 0 HD23 LEU A 279 -3.138 -1.406 0.873 1.00 1.10 H new ATOM 466 N ALA A 280 -3.955 -2.868 4.216 1.00 0.23 N ATOM 467 CA ALA A 280 -4.150 -3.784 5.374 1.00 0.22 C ATOM 468 C ALA A 280 -2.971 -4.757 5.456 1.00 0.21 C ATOM 469 O ALA A 280 -2.918 -5.743 4.748 1.00 0.25 O ATOM 470 CB ALA A 280 -5.448 -4.571 5.187 1.00 0.26 C ATOM 0 H ALA A 280 -3.611 -3.312 3.365 1.00 0.23 H new ATOM 0 HA ALA A 280 -4.207 -3.202 6.294 1.00 0.22 H new ATOM 0 HB1 ALA A 280 -5.592 -5.242 6.034 1.00 0.26 H new ATOM 0 HB2 ALA A 280 -6.288 -3.879 5.126 1.00 0.26 H new ATOM 0 HB3 ALA A 280 -5.391 -5.154 4.268 1.00 0.26 H new ATOM 476 N LEU A 281 -2.025 -4.486 6.312 1.00 0.20 N ATOM 477 CA LEU A 281 -0.851 -5.396 6.436 1.00 0.22 C ATOM 478 C LEU A 281 -1.325 -6.789 6.853 1.00 0.19 C ATOM 479 O LEU A 281 -2.475 -6.989 7.191 1.00 0.24 O ATOM 480 CB LEU A 281 0.113 -4.846 7.490 1.00 0.30 C ATOM 481 CG LEU A 281 0.976 -3.745 6.869 1.00 0.40 C ATOM 482 CD1 LEU A 281 1.642 -4.273 5.597 1.00 1.04 C ATOM 483 CD2 LEU A 281 0.096 -2.543 6.521 1.00 1.27 C ATOM 0 H LEU A 281 -2.014 -3.675 6.930 1.00 0.20 H new ATOM 0 HA LEU A 281 -0.339 -5.461 5.476 1.00 0.22 H new ATOM 0 HB2 LEU A 281 -0.446 -4.450 8.338 1.00 0.30 H new ATOM 0 HB3 LEU A 281 0.746 -5.647 7.872 1.00 0.30 H new ATOM 0 HG LEU A 281 1.743 -3.441 7.581 1.00 0.40 H new ATOM 0 HD11 LEU A 281 2.256 -3.488 5.155 1.00 1.04 H new ATOM 0 HD12 LEU A 281 2.269 -5.130 5.843 1.00 1.04 H new ATOM 0 HD13 LEU A 281 0.875 -4.578 4.885 1.00 1.04 H new ATOM 0 HD21 LEU A 281 0.710 -1.758 6.079 1.00 1.27 H new ATOM 0 HD22 LEU A 281 -0.671 -2.848 5.809 1.00 1.27 H new ATOM 0 HD23 LEU A 281 -0.379 -2.165 7.427 1.00 1.27 H new ATOM 495 N ASN A 282 -0.448 -7.755 6.829 1.00 0.25 N ATOM 496 CA ASN A 282 -0.850 -9.136 7.221 1.00 0.28 C ATOM 497 C ASN A 282 -0.055 -9.568 8.455 1.00 0.32 C ATOM 498 O ASN A 282 1.084 -9.188 8.636 1.00 0.40 O ATOM 499 CB ASN A 282 -0.559 -10.099 6.067 1.00 0.27 C ATOM 500 CG ASN A 282 -0.677 -9.353 4.736 1.00 0.27 C ATOM 501 OD1 ASN A 282 -1.754 -8.947 4.347 1.00 0.40 O ATOM 502 ND2 ASN A 282 0.394 -9.155 4.016 1.00 0.25 N ATOM 0 H ASN A 282 0.529 -7.648 6.555 1.00 0.25 H new ATOM 0 HA ASN A 282 -1.916 -9.152 7.450 1.00 0.28 H new ATOM 0 HB2 ASN A 282 0.441 -10.519 6.173 1.00 0.27 H new ATOM 0 HB3 ASN A 282 -1.259 -10.934 6.091 1.00 0.27 H new ATOM 0 HD21 ASN A 282 0.326 -8.659 3.127 1.00 0.25 H new ATOM 0 HD22 ASN A 282 1.298 -9.496 4.343 1.00 0.25 H new ATOM 509 N GLY A 283 -0.647 -10.363 9.304 1.00 0.37 N ATOM 510 CA GLY A 283 0.075 -10.821 10.525 1.00 0.43 C ATOM 511 C GLY A 283 0.496 -9.608 11.357 1.00 0.43 C ATOM 512 O GLY A 283 -0.247 -8.659 11.509 1.00 0.54 O ATOM 0 H GLY A 283 -1.599 -10.715 9.205 1.00 0.37 H new ATOM 0 HA2 GLY A 283 -0.567 -11.475 11.116 1.00 0.43 H new ATOM 0 HA3 GLY A 283 0.952 -11.404 10.244 1.00 0.43 H new ATOM 516 N SER A 284 1.684 -9.633 11.897 1.00 0.47 N ATOM 517 CA SER A 284 2.152 -8.482 12.720 1.00 0.49 C ATOM 518 C SER A 284 2.911 -7.494 11.832 1.00 0.43 C ATOM 519 O SER A 284 3.609 -6.623 12.312 1.00 0.46 O ATOM 520 CB SER A 284 3.079 -8.989 13.825 1.00 0.61 C ATOM 521 OG SER A 284 2.489 -10.123 14.449 1.00 1.54 O ATOM 0 H SER A 284 2.350 -10.400 11.804 1.00 0.47 H new ATOM 0 HA SER A 284 1.292 -7.982 13.167 1.00 0.49 H new ATOM 0 HB2 SER A 284 4.051 -9.253 13.408 1.00 0.61 H new ATOM 0 HB3 SER A 284 3.251 -8.203 14.560 1.00 0.61 H new ATOM 0 HG SER A 284 3.081 -10.452 15.157 1.00 1.54 H new ATOM 527 N GLN A 285 2.779 -7.620 10.540 1.00 0.40 N ATOM 528 CA GLN A 285 3.492 -6.688 9.625 1.00 0.37 C ATOM 529 C GLN A 285 3.243 -5.249 10.076 1.00 0.38 C ATOM 530 O GLN A 285 2.436 -4.990 10.945 1.00 0.42 O ATOM 531 CB GLN A 285 2.970 -6.874 8.199 1.00 0.37 C ATOM 532 CG GLN A 285 3.674 -8.067 7.548 1.00 0.39 C ATOM 533 CD GLN A 285 3.178 -8.232 6.111 1.00 0.55 C ATOM 534 OE1 GLN A 285 2.368 -7.456 5.643 1.00 1.39 O ATOM 535 NE2 GLN A 285 3.633 -9.217 5.385 1.00 0.55 N ATOM 0 H GLN A 285 2.208 -8.329 10.079 1.00 0.40 H new ATOM 0 HA GLN A 285 4.561 -6.898 9.649 1.00 0.37 H new ATOM 0 HB2 GLN A 285 1.892 -7.038 8.214 1.00 0.37 H new ATOM 0 HB3 GLN A 285 3.147 -5.971 7.615 1.00 0.37 H new ATOM 0 HG2 GLN A 285 4.753 -7.914 7.556 1.00 0.39 H new ATOM 0 HG3 GLN A 285 3.476 -8.975 8.118 1.00 0.39 H new ATOM 0 HE21 GLN A 285 4.313 -9.868 5.778 1.00 0.55 H new ATOM 0 HE22 GLN A 285 3.309 -9.335 4.425 1.00 0.55 H new ATOM 544 N THR A 286 3.933 -4.311 9.491 1.00 0.36 N ATOM 545 CA THR A 286 3.740 -2.887 9.887 1.00 0.40 C ATOM 546 C THR A 286 4.165 -1.973 8.735 1.00 0.37 C ATOM 547 O THR A 286 4.753 -2.412 7.767 1.00 0.40 O ATOM 548 CB THR A 286 4.593 -2.578 11.120 1.00 0.45 C ATOM 549 OG1 THR A 286 5.873 -2.122 10.705 1.00 0.45 O ATOM 550 CG2 THR A 286 4.751 -3.841 11.968 1.00 0.47 C ATOM 0 H THR A 286 4.622 -4.468 8.756 1.00 0.36 H new ATOM 0 HA THR A 286 2.689 -2.717 10.119 1.00 0.40 H new ATOM 0 HB THR A 286 4.104 -1.805 11.714 1.00 0.45 H new ATOM 0 HG1 THR A 286 6.420 -1.922 11.493 1.00 0.45 H new ATOM 0 HG21 THR A 286 5.359 -3.617 12.845 1.00 0.47 H new ATOM 0 HG22 THR A 286 3.769 -4.190 12.287 1.00 0.47 H new ATOM 0 HG23 THR A 286 5.238 -4.617 11.378 1.00 0.47 H new ATOM 558 N ILE A 287 3.874 -0.705 8.833 1.00 0.37 N ATOM 559 CA ILE A 287 4.265 0.236 7.746 1.00 0.36 C ATOM 560 C ILE A 287 5.595 0.900 8.106 1.00 0.34 C ATOM 561 O ILE A 287 5.662 1.746 8.975 1.00 0.51 O ATOM 562 CB ILE A 287 3.185 1.308 7.586 1.00 0.39 C ATOM 563 CG1 ILE A 287 1.946 0.689 6.935 1.00 0.43 C ATOM 564 CG2 ILE A 287 3.714 2.438 6.700 1.00 0.38 C ATOM 565 CD1 ILE A 287 2.312 0.147 5.552 1.00 0.48 C ATOM 0 H ILE A 287 3.382 -0.280 9.619 1.00 0.37 H new ATOM 0 HA ILE A 287 4.372 -0.312 6.810 1.00 0.36 H new ATOM 0 HB ILE A 287 2.922 1.707 8.566 1.00 0.39 H new ATOM 0 HG12 ILE A 287 1.557 -0.114 7.561 1.00 0.43 H new ATOM 0 HG13 ILE A 287 1.157 1.436 6.847 1.00 0.43 H new ATOM 0 HG21 ILE A 287 2.945 3.202 6.586 1.00 0.38 H new ATOM 0 HG22 ILE A 287 4.597 2.879 7.162 1.00 0.38 H new ATOM 0 HG23 ILE A 287 3.977 2.039 5.720 1.00 0.38 H new ATOM 0 HD11 ILE A 287 1.429 -0.294 5.089 1.00 0.48 H new ATOM 0 HD12 ILE A 287 2.681 0.961 4.928 1.00 0.48 H new ATOM 0 HD13 ILE A 287 3.087 -0.613 5.652 1.00 0.48 H new ATOM 577 N GLN A 288 6.656 0.521 7.448 1.00 0.27 N ATOM 578 CA GLN A 288 7.981 1.128 7.759 1.00 0.28 C ATOM 579 C GLN A 288 8.124 2.460 7.017 1.00 0.28 C ATOM 580 O GLN A 288 8.743 3.386 7.502 1.00 0.31 O ATOM 581 CB GLN A 288 9.095 0.176 7.318 1.00 0.33 C ATOM 582 CG GLN A 288 10.456 0.814 7.604 1.00 0.82 C ATOM 583 CD GLN A 288 11.536 -0.269 7.612 1.00 1.17 C ATOM 584 OE1 GLN A 288 11.567 -1.119 6.745 1.00 2.01 O ATOM 585 NE2 GLN A 288 12.431 -0.273 8.563 1.00 1.75 N ATOM 0 H GLN A 288 6.663 -0.182 6.709 1.00 0.27 H new ATOM 0 HA GLN A 288 8.055 1.303 8.832 1.00 0.28 H new ATOM 0 HB2 GLN A 288 9.008 -0.773 7.848 1.00 0.33 H new ATOM 0 HB3 GLN A 288 9.001 -0.043 6.254 1.00 0.33 H new ATOM 0 HG2 GLN A 288 10.684 1.564 6.847 1.00 0.82 H new ATOM 0 HG3 GLN A 288 10.434 1.328 8.565 1.00 0.82 H new ATOM 0 HE21 GLN A 288 12.405 0.441 9.291 1.00 1.75 H new ATOM 0 HE22 GLN A 288 13.156 -0.990 8.578 1.00 1.75 H new ATOM 594 N ALA A 289 7.561 2.565 5.844 1.00 0.25 N ATOM 595 CA ALA A 289 7.673 3.840 5.080 1.00 0.26 C ATOM 596 C ALA A 289 6.621 3.870 3.969 1.00 0.21 C ATOM 597 O ALA A 289 5.980 2.881 3.679 1.00 0.21 O ATOM 598 CB ALA A 289 9.069 3.938 4.462 1.00 0.29 C ATOM 0 H ALA A 289 7.030 1.826 5.383 1.00 0.25 H new ATOM 0 HA ALA A 289 7.509 4.681 5.753 1.00 0.26 H new ATOM 0 HB1 ALA A 289 9.155 4.869 3.902 1.00 0.29 H new ATOM 0 HB2 ALA A 289 9.819 3.920 5.253 1.00 0.29 H new ATOM 0 HB3 ALA A 289 9.229 3.095 3.790 1.00 0.29 H new ATOM 604 N SER A 290 6.442 5.003 3.344 1.00 0.21 N ATOM 605 CA SER A 290 5.434 5.103 2.250 1.00 0.18 C ATOM 606 C SER A 290 5.727 6.346 1.406 1.00 0.18 C ATOM 607 O SER A 290 6.517 7.189 1.781 1.00 0.21 O ATOM 608 CB SER A 290 4.034 5.215 2.854 1.00 0.21 C ATOM 609 OG SER A 290 3.950 6.405 3.626 1.00 1.08 O ATOM 0 H SER A 290 6.951 5.864 3.544 1.00 0.21 H new ATOM 0 HA SER A 290 5.486 4.213 1.622 1.00 0.18 H new ATOM 0 HB2 SER A 290 3.284 5.227 2.063 1.00 0.21 H new ATOM 0 HB3 SER A 290 3.824 4.347 3.479 1.00 0.21 H new ATOM 0 HG SER A 290 3.440 6.229 4.444 1.00 1.08 H new ATOM 615 N TRP A 291 5.098 6.468 0.268 1.00 0.17 N ATOM 616 CA TRP A 291 5.348 7.659 -0.592 1.00 0.20 C ATOM 617 C TRP A 291 4.326 7.697 -1.731 1.00 0.19 C ATOM 618 O TRP A 291 3.606 6.746 -1.965 1.00 0.21 O ATOM 619 CB TRP A 291 6.759 7.576 -1.178 1.00 0.23 C ATOM 620 CG TRP A 291 6.967 6.226 -1.785 1.00 0.21 C ATOM 621 CD1 TRP A 291 6.703 5.905 -3.073 1.00 0.22 C ATOM 622 CD2 TRP A 291 7.475 5.014 -1.156 1.00 0.23 C ATOM 623 NE1 TRP A 291 7.017 4.572 -3.274 1.00 0.23 N ATOM 624 CE2 TRP A 291 7.497 3.980 -2.122 1.00 0.23 C ATOM 625 CE3 TRP A 291 7.914 4.714 0.146 1.00 0.28 C ATOM 626 CZ2 TRP A 291 7.939 2.695 -1.807 1.00 0.27 C ATOM 627 CZ3 TRP A 291 8.360 3.421 0.466 1.00 0.33 C ATOM 628 CH2 TRP A 291 8.372 2.414 -0.509 1.00 0.32 C ATOM 0 H TRP A 291 4.425 5.797 -0.102 1.00 0.17 H new ATOM 0 HA TRP A 291 5.253 8.564 0.008 1.00 0.20 H new ATOM 0 HB2 TRP A 291 6.898 8.351 -1.932 1.00 0.23 H new ATOM 0 HB3 TRP A 291 7.499 7.754 -0.398 1.00 0.23 H new ATOM 0 HD1 TRP A 291 6.312 6.578 -3.821 1.00 0.22 H new ATOM 0 HE1 TRP A 291 6.907 4.086 -4.164 1.00 0.23 H new ATOM 0 HE3 TRP A 291 7.908 5.483 0.905 1.00 0.28 H new ATOM 0 HZ2 TRP A 291 7.946 1.922 -2.562 1.00 0.27 H new ATOM 0 HZ3 TRP A 291 8.696 3.202 1.469 1.00 0.33 H new ATOM 0 HH2 TRP A 291 8.716 1.422 -0.257 1.00 0.32 H new ATOM 639 N ASN A 292 4.259 8.790 -2.442 1.00 0.19 N ATOM 640 CA ASN A 292 3.287 8.895 -3.568 1.00 0.19 C ATOM 641 C ASN A 292 1.861 8.959 -3.015 1.00 0.19 C ATOM 642 O ASN A 292 0.899 8.973 -3.757 1.00 0.22 O ATOM 643 CB ASN A 292 3.427 7.673 -4.479 1.00 0.20 C ATOM 644 CG ASN A 292 4.070 8.093 -5.802 1.00 0.41 C ATOM 645 OD1 ASN A 292 4.243 9.268 -6.061 1.00 0.96 O ATOM 646 ND2 ASN A 292 4.435 7.177 -6.656 1.00 0.78 N ATOM 0 H ASN A 292 4.837 9.617 -2.291 1.00 0.19 H new ATOM 0 HA ASN A 292 3.493 9.801 -4.139 1.00 0.19 H new ATOM 0 HB2 ASN A 292 4.036 6.911 -3.992 1.00 0.20 H new ATOM 0 HB3 ASN A 292 2.449 7.229 -4.663 1.00 0.20 H new ATOM 0 HD21 ASN A 292 4.865 7.447 -7.541 1.00 0.78 H new ATOM 0 HD22 ASN A 292 4.290 6.191 -6.439 1.00 0.78 H new ATOM 653 N ALA A 293 1.716 8.999 -1.719 1.00 0.18 N ATOM 654 CA ALA A 293 0.359 9.061 -1.124 1.00 0.19 C ATOM 655 C ALA A 293 0.474 9.191 0.396 1.00 0.20 C ATOM 656 O ALA A 293 1.385 8.669 1.006 1.00 0.32 O ATOM 657 CB ALA A 293 -0.399 7.783 -1.471 1.00 0.21 C ATOM 0 H ALA A 293 2.484 8.991 -1.048 1.00 0.18 H new ATOM 0 HA ALA A 293 -0.177 9.924 -1.520 1.00 0.19 H new ATOM 0 HB1 ALA A 293 -1.398 7.823 -1.036 1.00 0.21 H new ATOM 0 HB2 ALA A 293 -0.478 7.690 -2.554 1.00 0.21 H new ATOM 0 HB3 ALA A 293 0.137 6.922 -1.071 1.00 0.21 H new ATOM 663 N ASN A 294 -0.444 9.883 1.013 1.00 0.25 N ATOM 664 CA ASN A 294 -0.386 10.043 2.493 1.00 0.27 C ATOM 665 C ASN A 294 -0.937 8.783 3.163 1.00 0.31 C ATOM 666 O ASN A 294 -2.133 8.588 3.251 1.00 0.47 O ATOM 667 CB ASN A 294 -1.226 11.252 2.910 1.00 0.34 C ATOM 668 CG ASN A 294 -0.540 12.537 2.443 1.00 0.48 C ATOM 669 OD1 ASN A 294 0.353 13.036 3.098 1.00 0.82 O ATOM 670 ND2 ASN A 294 -0.923 13.097 1.328 1.00 0.86 N ATOM 0 H ASN A 294 -1.231 10.344 0.557 1.00 0.25 H new ATOM 0 HA ASN A 294 0.648 10.197 2.802 1.00 0.27 H new ATOM 0 HB2 ASN A 294 -2.224 11.182 2.476 1.00 0.34 H new ATOM 0 HB3 ASN A 294 -1.349 11.266 3.993 1.00 0.34 H new ATOM 0 HD21 ASN A 294 -0.472 13.954 1.007 1.00 0.86 H new ATOM 0 HD22 ASN A 294 -1.673 12.678 0.778 1.00 0.86 H new ATOM 677 N VAL A 295 -0.074 7.926 3.636 1.00 0.33 N ATOM 678 CA VAL A 295 -0.549 6.679 4.299 1.00 0.42 C ATOM 679 C VAL A 295 -0.370 6.806 5.813 1.00 0.36 C ATOM 680 O VAL A 295 0.637 7.292 6.289 1.00 0.48 O ATOM 681 CB VAL A 295 0.263 5.488 3.787 1.00 0.59 C ATOM 682 CG1 VAL A 295 -0.142 4.227 4.552 1.00 1.04 C ATOM 683 CG2 VAL A 295 -0.011 5.289 2.295 1.00 1.42 C ATOM 0 H VAL A 295 0.939 8.036 3.592 1.00 0.33 H new ATOM 0 HA VAL A 295 -1.603 6.525 4.070 1.00 0.42 H new ATOM 0 HB VAL A 295 1.325 5.680 3.940 1.00 0.59 H new ATOM 0 HG11 VAL A 295 0.437 3.378 4.187 1.00 1.04 H new ATOM 0 HG12 VAL A 295 0.052 4.368 5.615 1.00 1.04 H new ATOM 0 HG13 VAL A 295 -1.204 4.034 4.400 1.00 1.04 H new ATOM 0 HG21 VAL A 295 0.567 4.441 1.929 1.00 1.42 H new ATOM 0 HG22 VAL A 295 -1.073 5.097 2.143 1.00 1.42 H new ATOM 0 HG23 VAL A 295 0.278 6.187 1.749 1.00 1.42 H new ATOM 693 N THR A 296 -1.338 6.373 6.573 1.00 0.28 N ATOM 694 CA THR A 296 -1.220 6.470 8.055 1.00 0.31 C ATOM 695 C THR A 296 -2.156 5.451 8.709 1.00 0.45 C ATOM 696 O THR A 296 -3.144 5.042 8.133 1.00 0.76 O ATOM 697 CB THR A 296 -1.607 7.880 8.507 1.00 0.70 C ATOM 698 OG1 THR A 296 -2.717 8.332 7.744 1.00 0.98 O ATOM 699 CG2 THR A 296 -0.424 8.827 8.302 1.00 1.09 C ATOM 0 H THR A 296 -2.205 5.957 6.232 1.00 0.28 H new ATOM 0 HA THR A 296 -0.192 6.263 8.351 1.00 0.31 H new ATOM 0 HB THR A 296 -1.875 7.862 9.563 1.00 0.70 H new ATOM 0 HG1 THR A 296 -2.967 9.234 8.033 1.00 0.98 H new ATOM 0 HG21 THR A 296 -0.701 9.831 8.624 1.00 1.09 H new ATOM 0 HG22 THR A 296 0.426 8.479 8.889 1.00 1.09 H new ATOM 0 HG23 THR A 296 -0.153 8.847 7.247 1.00 1.09 H new ATOM 707 N GLY A 297 -1.852 5.039 9.909 1.00 0.52 N ATOM 708 CA GLY A 297 -2.724 4.047 10.600 1.00 0.91 C ATOM 709 C GLY A 297 -2.255 3.872 12.045 1.00 0.59 C ATOM 710 O GLY A 297 -1.463 4.645 12.548 1.00 1.10 O ATOM 0 H GLY A 297 -1.038 5.346 10.441 1.00 0.52 H new ATOM 0 HA2 GLY A 297 -3.761 4.383 10.582 1.00 0.91 H new ATOM 0 HA3 GLY A 297 -2.690 3.091 10.077 1.00 0.91 H new ATOM 714 N SER A 298 -2.733 2.860 12.716 1.00 0.74 N ATOM 715 CA SER A 298 -2.314 2.633 14.122 1.00 1.42 C ATOM 716 C SER A 298 -2.824 1.270 14.593 1.00 1.52 C ATOM 717 O SER A 298 -3.697 1.179 15.433 1.00 2.09 O ATOM 718 CB SER A 298 -2.890 3.734 15.013 1.00 2.25 C ATOM 719 OG SER A 298 -1.824 4.484 15.581 1.00 2.95 O ATOM 0 H SER A 298 -3.398 2.180 12.347 1.00 0.74 H new ATOM 0 HA SER A 298 -1.226 2.653 14.184 1.00 1.42 H new ATOM 0 HB2 SER A 298 -3.539 4.387 14.430 1.00 2.25 H new ATOM 0 HB3 SER A 298 -3.503 3.297 15.801 1.00 2.25 H new ATOM 0 HG SER A 298 -1.262 4.848 14.865 1.00 2.95 H new ATOM 725 N GLY A 299 -2.286 0.208 14.058 1.00 1.53 N ATOM 726 CA GLY A 299 -2.741 -1.148 14.476 1.00 1.77 C ATOM 727 C GLY A 299 -2.453 -2.152 13.358 1.00 1.43 C ATOM 728 O GLY A 299 -1.358 -2.663 13.237 1.00 2.17 O ATOM 0 H GLY A 299 -1.552 0.221 13.350 1.00 1.53 H new ATOM 0 HA2 GLY A 299 -2.229 -1.449 15.390 1.00 1.77 H new ATOM 0 HA3 GLY A 299 -3.808 -1.132 14.699 1.00 1.77 H new ATOM 732 N SER A 300 -3.428 -2.437 12.539 1.00 0.93 N ATOM 733 CA SER A 300 -3.209 -3.407 11.429 1.00 0.84 C ATOM 734 C SER A 300 -3.864 -2.878 10.152 1.00 0.82 C ATOM 735 O SER A 300 -4.217 -3.631 9.266 1.00 1.43 O ATOM 736 CB SER A 300 -3.830 -4.754 11.800 1.00 1.12 C ATOM 737 OG SER A 300 -2.826 -5.601 12.344 1.00 1.76 O ATOM 0 H SER A 300 -4.366 -2.040 12.590 1.00 0.93 H new ATOM 0 HA SER A 300 -2.139 -3.533 11.263 1.00 0.84 H new ATOM 0 HB2 SER A 300 -4.632 -4.610 12.524 1.00 1.12 H new ATOM 0 HB3 SER A 300 -4.275 -5.217 10.919 1.00 1.12 H new ATOM 0 HG SER A 300 -3.222 -6.465 12.584 1.00 1.76 H new ATOM 743 N THR A 301 -4.025 -1.587 10.047 1.00 0.39 N ATOM 744 CA THR A 301 -4.650 -1.011 8.831 1.00 0.35 C ATOM 745 C THR A 301 -4.294 0.473 8.726 1.00 0.31 C ATOM 746 O THR A 301 -4.188 1.168 9.716 1.00 0.40 O ATOM 747 CB THR A 301 -6.170 -1.172 8.909 1.00 0.42 C ATOM 748 OG1 THR A 301 -6.594 -0.997 10.253 1.00 0.57 O ATOM 749 CG2 THR A 301 -6.564 -2.568 8.425 1.00 0.47 C ATOM 0 H THR A 301 -3.748 -0.907 10.755 1.00 0.39 H new ATOM 0 HA THR A 301 -4.278 -1.534 7.950 1.00 0.35 H new ATOM 0 HB THR A 301 -6.648 -0.424 8.276 1.00 0.42 H new ATOM 0 HG1 THR A 301 -7.567 -1.098 10.305 1.00 0.57 H new ATOM 0 HG21 THR A 301 -7.647 -2.681 8.481 1.00 0.47 H new ATOM 0 HG22 THR A 301 -6.239 -2.701 7.393 1.00 0.47 H new ATOM 0 HG23 THR A 301 -6.088 -3.319 9.055 1.00 0.47 H new ATOM 757 N ARG A 302 -4.108 0.964 7.531 1.00 0.36 N ATOM 758 CA ARG A 302 -3.760 2.402 7.360 1.00 0.35 C ATOM 759 C ARG A 302 -4.540 2.978 6.176 1.00 0.34 C ATOM 760 O ARG A 302 -4.655 2.358 5.138 1.00 0.56 O ATOM 761 CB ARG A 302 -2.259 2.535 7.096 1.00 0.42 C ATOM 762 CG ARG A 302 -1.486 1.656 8.082 1.00 0.58 C ATOM 763 CD ARG A 302 -0.294 2.437 8.637 1.00 1.13 C ATOM 764 NE ARG A 302 0.515 1.548 9.517 1.00 1.25 N ATOM 765 CZ ARG A 302 0.642 1.825 10.786 1.00 1.89 C ATOM 766 NH1 ARG A 302 0.990 3.026 11.160 1.00 2.61 N ATOM 767 NH2 ARG A 302 0.420 0.902 11.681 1.00 2.48 N ATOM 0 H ARG A 302 -4.182 0.430 6.665 1.00 0.36 H new ATOM 0 HA ARG A 302 -4.019 2.949 8.266 1.00 0.35 H new ATOM 0 HB2 ARG A 302 -2.032 2.238 6.072 1.00 0.42 H new ATOM 0 HB3 ARG A 302 -1.951 3.575 7.202 1.00 0.42 H new ATOM 0 HG2 ARG A 302 -2.140 1.343 8.896 1.00 0.58 H new ATOM 0 HG3 ARG A 302 -1.141 0.750 7.584 1.00 0.58 H new ATOM 0 HD2 ARG A 302 0.320 2.814 7.819 1.00 1.13 H new ATOM 0 HD3 ARG A 302 -0.643 3.303 9.199 1.00 1.13 H new ATOM 0 HE ARG A 302 0.970 0.722 9.128 1.00 1.25 H new ATOM 0 HH11 ARG A 302 1.163 3.748 10.461 1.00 2.61 H new ATOM 0 HH12 ARG A 302 1.089 3.243 12.152 1.00 2.61 H new ATOM 0 HH21 ARG A 302 0.147 -0.036 11.389 1.00 2.48 H new ATOM 0 HH22 ARG A 302 0.519 1.119 12.673 1.00 2.48 H new ATOM 781 N THR A 303 -5.077 4.158 6.323 1.00 0.27 N ATOM 782 CA THR A 303 -5.849 4.768 5.205 1.00 0.25 C ATOM 783 C THR A 303 -4.887 5.459 4.236 1.00 0.23 C ATOM 784 O THR A 303 -4.087 6.286 4.626 1.00 0.24 O ATOM 785 CB THR A 303 -6.833 5.797 5.766 1.00 0.31 C ATOM 786 OG1 THR A 303 -7.738 5.151 6.651 1.00 0.36 O ATOM 787 CG2 THR A 303 -7.612 6.442 4.618 1.00 0.37 C ATOM 0 H THR A 303 -5.014 4.725 7.168 1.00 0.27 H new ATOM 0 HA THR A 303 -6.399 3.989 4.677 1.00 0.25 H new ATOM 0 HB THR A 303 -6.283 6.568 6.306 1.00 0.31 H new ATOM 0 HG1 THR A 303 -8.368 5.809 7.013 1.00 0.36 H new ATOM 0 HG21 THR A 303 -8.312 7.174 5.020 1.00 0.37 H new ATOM 0 HG22 THR A 303 -6.917 6.938 3.940 1.00 0.37 H new ATOM 0 HG23 THR A 303 -8.162 5.674 4.075 1.00 0.37 H new ATOM 795 N VAL A 304 -4.958 5.127 2.976 1.00 0.22 N ATOM 796 CA VAL A 304 -4.046 5.765 1.985 1.00 0.21 C ATOM 797 C VAL A 304 -4.787 6.892 1.262 1.00 0.22 C ATOM 798 O VAL A 304 -5.993 6.864 1.120 1.00 0.23 O ATOM 799 CB VAL A 304 -3.590 4.721 0.966 1.00 0.22 C ATOM 800 CG1 VAL A 304 -2.756 5.399 -0.123 1.00 0.22 C ATOM 801 CG2 VAL A 304 -2.742 3.659 1.670 1.00 0.24 C ATOM 0 H VAL A 304 -5.608 4.442 2.590 1.00 0.22 H new ATOM 0 HA VAL A 304 -3.177 6.173 2.501 1.00 0.21 H new ATOM 0 HB VAL A 304 -4.463 4.250 0.514 1.00 0.22 H new ATOM 0 HG11 VAL A 304 -2.431 4.654 -0.849 1.00 0.22 H new ATOM 0 HG12 VAL A 304 -3.359 6.156 -0.625 1.00 0.22 H new ATOM 0 HG13 VAL A 304 -1.883 5.871 0.328 1.00 0.22 H new ATOM 0 HG21 VAL A 304 -2.416 2.914 0.944 1.00 0.24 H new ATOM 0 HG22 VAL A 304 -1.870 4.131 2.122 1.00 0.24 H new ATOM 0 HG23 VAL A 304 -3.335 3.175 2.446 1.00 0.24 H new ATOM 811 N THR A 305 -4.073 7.883 0.802 1.00 0.27 N ATOM 812 CA THR A 305 -4.737 9.010 0.088 1.00 0.31 C ATOM 813 C THR A 305 -3.801 9.544 -1.000 1.00 0.27 C ATOM 814 O THR A 305 -2.597 9.535 -0.841 1.00 0.31 O ATOM 815 CB THR A 305 -5.055 10.129 1.082 1.00 0.37 C ATOM 816 OG1 THR A 305 -4.022 10.204 2.055 1.00 0.60 O ATOM 817 CG2 THR A 305 -6.388 9.837 1.772 1.00 0.80 C ATOM 0 H THR A 305 -3.060 7.961 0.890 1.00 0.27 H new ATOM 0 HA THR A 305 -5.662 8.657 -0.368 1.00 0.31 H new ATOM 0 HB THR A 305 -5.124 11.078 0.551 1.00 0.37 H new ATOM 0 HG1 THR A 305 -4.224 10.921 2.691 1.00 0.60 H new ATOM 0 HG21 THR A 305 -6.614 10.635 2.480 1.00 0.80 H new ATOM 0 HG22 THR A 305 -7.180 9.780 1.025 1.00 0.80 H new ATOM 0 HG23 THR A 305 -6.322 8.888 2.304 1.00 0.80 H new ATOM 825 N PRO A 306 -4.390 9.996 -2.075 1.00 0.33 N ATOM 826 CA PRO A 306 -3.645 10.546 -3.220 1.00 0.35 C ATOM 827 C PRO A 306 -3.187 11.977 -2.922 1.00 0.29 C ATOM 828 O PRO A 306 -3.883 12.740 -2.283 1.00 0.33 O ATOM 829 CB PRO A 306 -4.671 10.526 -4.357 1.00 0.51 C ATOM 830 CG PRO A 306 -6.065 10.510 -3.686 1.00 0.59 C ATOM 831 CD PRO A 306 -5.856 9.998 -2.248 1.00 0.49 C ATOM 0 HA PRO A 306 -2.743 9.982 -3.456 1.00 0.35 H new ATOM 0 HB2 PRO A 306 -4.558 11.401 -4.998 1.00 0.51 H new ATOM 0 HB3 PRO A 306 -4.534 9.648 -4.989 1.00 0.51 H new ATOM 0 HG2 PRO A 306 -6.504 11.507 -3.682 1.00 0.59 H new ATOM 0 HG3 PRO A 306 -6.750 9.862 -4.232 1.00 0.59 H new ATOM 0 HD2 PRO A 306 -6.342 10.647 -1.519 1.00 0.49 H new ATOM 0 HD3 PRO A 306 -6.274 9.000 -2.116 1.00 0.49 H new ATOM 839 N ASN A 307 -2.023 12.345 -3.382 1.00 0.37 N ATOM 840 CA ASN A 307 -1.523 13.725 -3.125 1.00 0.48 C ATOM 841 C ASN A 307 -1.978 14.650 -4.255 1.00 0.57 C ATOM 842 O ASN A 307 -2.126 15.842 -4.073 1.00 0.71 O ATOM 843 CB ASN A 307 0.005 13.711 -3.061 1.00 0.67 C ATOM 844 CG ASN A 307 0.561 12.955 -4.269 1.00 1.06 C ATOM 845 OD1 ASN A 307 0.852 13.547 -5.289 1.00 1.91 O ATOM 846 ND2 ASN A 307 0.721 11.662 -4.198 1.00 1.45 N ATOM 0 H ASN A 307 -1.397 11.750 -3.924 1.00 0.37 H new ATOM 0 HA ASN A 307 -1.922 14.085 -2.177 1.00 0.48 H new ATOM 0 HB2 ASN A 307 0.388 14.731 -3.050 1.00 0.67 H new ATOM 0 HB3 ASN A 307 0.336 13.236 -2.138 1.00 0.67 H new ATOM 0 HD21 ASN A 307 1.090 11.149 -4.999 1.00 1.45 H new ATOM 0 HD22 ASN A 307 0.477 11.164 -3.342 1.00 1.45 H new ATOM 853 N GLY A 308 -2.201 14.111 -5.423 1.00 0.58 N ATOM 854 CA GLY A 308 -2.647 14.962 -6.563 1.00 0.76 C ATOM 855 C GLY A 308 -1.871 14.574 -7.823 1.00 0.95 C ATOM 856 O GLY A 308 -2.188 15.003 -8.915 1.00 1.33 O ATOM 0 H GLY A 308 -2.094 13.119 -5.637 1.00 0.58 H new ATOM 0 HA2 GLY A 308 -3.717 14.835 -6.728 1.00 0.76 H new ATOM 0 HA3 GLY A 308 -2.483 16.014 -6.331 1.00 0.76 H new ATOM 860 N SER A 309 -0.857 13.766 -7.681 1.00 0.94 N ATOM 861 CA SER A 309 -0.062 13.352 -8.871 1.00 1.29 C ATOM 862 C SER A 309 0.628 12.017 -8.584 1.00 0.86 C ATOM 863 O SER A 309 1.625 11.680 -9.192 1.00 1.04 O ATOM 864 CB SER A 309 0.993 14.416 -9.175 1.00 1.85 C ATOM 865 OG SER A 309 1.179 14.505 -10.581 1.00 2.53 O ATOM 0 H SER A 309 -0.545 13.375 -6.792 1.00 0.94 H new ATOM 0 HA SER A 309 -0.724 13.242 -9.730 1.00 1.29 H new ATOM 0 HB2 SER A 309 0.679 15.381 -8.776 1.00 1.85 H new ATOM 0 HB3 SER A 309 1.934 14.161 -8.688 1.00 1.85 H new ATOM 0 HG SER A 309 1.854 15.188 -10.779 1.00 2.53 H new ATOM 871 N GLY A 310 0.107 11.255 -7.662 1.00 0.59 N ATOM 872 CA GLY A 310 0.735 9.943 -7.338 1.00 0.82 C ATOM 873 C GLY A 310 -0.354 8.887 -7.144 1.00 0.69 C ATOM 874 O GLY A 310 -0.524 8.346 -6.069 1.00 1.06 O ATOM 0 H GLY A 310 -0.726 11.484 -7.119 1.00 0.59 H new ATOM 0 HA2 GLY A 310 1.408 9.642 -8.141 1.00 0.82 H new ATOM 0 HA3 GLY A 310 1.337 10.030 -6.433 1.00 0.82 H new ATOM 878 N ASN A 311 -1.094 8.590 -8.176 1.00 0.33 N ATOM 879 CA ASN A 311 -2.172 7.569 -8.052 1.00 0.22 C ATOM 880 C ASN A 311 -1.584 6.272 -7.492 1.00 0.20 C ATOM 881 O ASN A 311 -2.206 5.586 -6.705 1.00 0.26 O ATOM 882 CB ASN A 311 -2.782 7.301 -9.429 1.00 0.28 C ATOM 883 CG ASN A 311 -3.775 8.412 -9.774 1.00 0.46 C ATOM 884 OD1 ASN A 311 -3.736 9.479 -9.194 1.00 1.18 O ATOM 885 ND2 ASN A 311 -4.672 8.205 -10.699 1.00 1.11 N ATOM 0 H ASN A 311 -0.999 9.010 -9.100 1.00 0.33 H new ATOM 0 HA ASN A 311 -2.946 7.937 -7.378 1.00 0.22 H new ATOM 0 HB2 ASN A 311 -1.996 7.254 -10.183 1.00 0.28 H new ATOM 0 HB3 ASN A 311 -3.286 6.335 -9.433 1.00 0.28 H new ATOM 0 HD21 ASN A 311 -5.340 8.939 -10.935 1.00 1.11 H new ATOM 0 HD22 ASN A 311 -4.705 7.309 -11.186 1.00 1.11 H new ATOM 892 N THR A 312 -0.390 5.931 -7.891 1.00 0.20 N ATOM 893 CA THR A 312 0.238 4.679 -7.381 1.00 0.18 C ATOM 894 C THR A 312 1.133 5.010 -6.185 1.00 0.20 C ATOM 895 O THR A 312 2.010 5.846 -6.268 1.00 0.24 O ATOM 896 CB THR A 312 1.083 4.045 -8.489 1.00 0.21 C ATOM 897 OG1 THR A 312 0.259 3.774 -9.615 1.00 0.22 O ATOM 898 CG2 THR A 312 1.700 2.741 -7.980 1.00 0.21 C ATOM 0 H THR A 312 0.178 6.465 -8.548 1.00 0.20 H new ATOM 0 HA THR A 312 -0.540 3.981 -7.072 1.00 0.18 H new ATOM 0 HB THR A 312 1.879 4.732 -8.778 1.00 0.21 H new ATOM 0 HG1 THR A 312 0.769 3.928 -10.438 1.00 0.22 H new ATOM 0 HG21 THR A 312 2.301 2.290 -8.770 1.00 0.21 H new ATOM 0 HG22 THR A 312 2.332 2.950 -7.117 1.00 0.21 H new ATOM 0 HG23 THR A 312 0.907 2.052 -7.690 1.00 0.21 H new ATOM 906 N PHE A 313 0.919 4.361 -5.073 1.00 0.21 N ATOM 907 CA PHE A 313 1.761 4.643 -3.876 1.00 0.24 C ATOM 908 C PHE A 313 2.653 3.436 -3.581 1.00 0.18 C ATOM 909 O PHE A 313 2.461 2.363 -4.116 1.00 0.16 O ATOM 910 CB PHE A 313 0.862 4.926 -2.668 1.00 0.29 C ATOM 911 CG PHE A 313 0.236 3.639 -2.176 1.00 0.26 C ATOM 912 CD1 PHE A 313 1.022 2.674 -1.532 1.00 1.19 C ATOM 913 CD2 PHE A 313 -1.134 3.415 -2.361 1.00 1.23 C ATOM 914 CE1 PHE A 313 0.439 1.486 -1.076 1.00 1.20 C ATOM 915 CE2 PHE A 313 -1.717 2.227 -1.903 1.00 1.25 C ATOM 916 CZ PHE A 313 -0.930 1.262 -1.261 1.00 0.34 C ATOM 0 H PHE A 313 0.200 3.650 -4.942 1.00 0.21 H new ATOM 0 HA PHE A 313 2.385 5.515 -4.072 1.00 0.24 H new ATOM 0 HB2 PHE A 313 1.445 5.385 -1.870 1.00 0.29 H new ATOM 0 HB3 PHE A 313 0.083 5.637 -2.943 1.00 0.29 H new ATOM 0 HD1 PHE A 313 2.078 2.847 -1.387 1.00 1.19 H new ATOM 0 HD2 PHE A 313 -1.741 4.158 -2.857 1.00 1.23 H new ATOM 0 HE1 PHE A 313 1.046 0.742 -0.581 1.00 1.20 H new ATOM 0 HE2 PHE A 313 -2.774 2.055 -2.045 1.00 1.25 H new ATOM 0 HZ PHE A 313 -1.380 0.345 -0.909 1.00 0.34 H new ATOM 926 N GLY A 314 3.625 3.604 -2.728 1.00 0.20 N ATOM 927 CA GLY A 314 4.527 2.468 -2.392 1.00 0.19 C ATOM 928 C GLY A 314 4.934 2.563 -0.920 1.00 0.19 C ATOM 929 O GLY A 314 5.292 3.617 -0.434 1.00 0.25 O ATOM 0 H GLY A 314 3.834 4.480 -2.249 1.00 0.20 H new ATOM 0 HA2 GLY A 314 4.023 1.520 -2.581 1.00 0.19 H new ATOM 0 HA3 GLY A 314 5.412 2.491 -3.028 1.00 0.19 H new ATOM 933 N VAL A 315 4.878 1.473 -0.205 1.00 0.16 N ATOM 934 CA VAL A 315 5.258 1.512 1.235 1.00 0.18 C ATOM 935 C VAL A 315 6.015 0.234 1.602 1.00 0.19 C ATOM 936 O VAL A 315 5.810 -0.810 1.016 1.00 0.35 O ATOM 937 CB VAL A 315 3.995 1.618 2.092 1.00 0.20 C ATOM 938 CG1 VAL A 315 3.120 2.759 1.571 1.00 0.21 C ATOM 939 CG2 VAL A 315 3.216 0.303 2.014 1.00 0.23 C ATOM 0 H VAL A 315 4.587 0.560 -0.554 1.00 0.16 H new ATOM 0 HA VAL A 315 5.897 2.376 1.417 1.00 0.18 H new ATOM 0 HB VAL A 315 4.273 1.816 3.127 1.00 0.20 H new ATOM 0 HG11 VAL A 315 2.220 2.835 2.181 1.00 0.21 H new ATOM 0 HG12 VAL A 315 3.674 3.696 1.624 1.00 0.21 H new ATOM 0 HG13 VAL A 315 2.841 2.560 0.536 1.00 0.21 H new ATOM 0 HG21 VAL A 315 2.316 0.377 2.624 1.00 0.23 H new ATOM 0 HG22 VAL A 315 2.938 0.106 0.979 1.00 0.23 H new ATOM 0 HG23 VAL A 315 3.839 -0.511 2.384 1.00 0.23 H new ATOM 949 N THR A 316 6.885 0.308 2.572 1.00 0.19 N ATOM 950 CA THR A 316 7.650 -0.903 2.980 1.00 0.20 C ATOM 951 C THR A 316 6.771 -1.775 3.879 1.00 0.22 C ATOM 952 O THR A 316 6.065 -1.284 4.737 1.00 0.49 O ATOM 953 CB THR A 316 8.906 -0.477 3.747 1.00 0.24 C ATOM 954 OG1 THR A 316 9.859 0.048 2.834 1.00 0.26 O ATOM 955 CG2 THR A 316 9.501 -1.685 4.471 1.00 0.29 C ATOM 0 H THR A 316 7.099 1.155 3.099 1.00 0.19 H new ATOM 0 HA THR A 316 7.941 -1.469 2.095 1.00 0.20 H new ATOM 0 HB THR A 316 8.643 0.287 4.479 1.00 0.24 H new ATOM 0 HG1 THR A 316 9.562 -0.124 1.916 1.00 0.26 H new ATOM 0 HG21 THR A 316 10.394 -1.379 5.016 1.00 0.29 H new ATOM 0 HG22 THR A 316 8.769 -2.086 5.171 1.00 0.29 H new ATOM 0 HG23 THR A 316 9.765 -2.452 3.743 1.00 0.29 H new ATOM 963 N VAL A 317 6.807 -3.065 3.689 1.00 0.24 N ATOM 964 CA VAL A 317 5.971 -3.965 4.531 1.00 0.23 C ATOM 965 C VAL A 317 6.867 -4.744 5.493 1.00 0.23 C ATOM 966 O VAL A 317 7.584 -5.640 5.094 1.00 0.44 O ATOM 967 CB VAL A 317 5.220 -4.954 3.639 1.00 0.23 C ATOM 968 CG1 VAL A 317 4.484 -5.969 4.514 1.00 0.35 C ATOM 969 CG2 VAL A 317 4.208 -4.204 2.772 1.00 0.27 C ATOM 0 H VAL A 317 7.379 -3.534 2.987 1.00 0.24 H new ATOM 0 HA VAL A 317 5.257 -3.365 5.095 1.00 0.23 H new ATOM 0 HB VAL A 317 5.932 -5.471 2.996 1.00 0.23 H new ATOM 0 HG11 VAL A 317 3.948 -6.675 3.880 1.00 0.35 H new ATOM 0 HG12 VAL A 317 5.204 -6.508 5.130 1.00 0.35 H new ATOM 0 HG13 VAL A 317 3.775 -5.448 5.157 1.00 0.35 H new ATOM 0 HG21 VAL A 317 3.676 -4.913 2.138 1.00 0.27 H new ATOM 0 HG22 VAL A 317 3.496 -3.683 3.412 1.00 0.27 H new ATOM 0 HG23 VAL A 317 4.730 -3.480 2.147 1.00 0.27 H new ATOM 979 N MET A 318 6.829 -4.422 6.756 1.00 0.25 N ATOM 980 CA MET A 318 7.676 -5.161 7.731 1.00 0.27 C ATOM 981 C MET A 318 7.263 -6.633 7.729 1.00 0.26 C ATOM 982 O MET A 318 6.413 -7.051 8.490 1.00 0.35 O ATOM 983 CB MET A 318 7.484 -4.574 9.130 1.00 0.30 C ATOM 984 CG MET A 318 8.503 -3.456 9.357 1.00 0.35 C ATOM 985 SD MET A 318 9.979 -4.136 10.154 1.00 1.43 S ATOM 986 CE MET A 318 11.109 -3.923 8.757 1.00 1.11 C ATOM 0 H MET A 318 6.250 -3.682 7.153 1.00 0.25 H new ATOM 0 HA MET A 318 8.725 -5.071 7.450 1.00 0.27 H new ATOM 0 HB2 MET A 318 6.471 -4.185 9.237 1.00 0.30 H new ATOM 0 HB3 MET A 318 7.608 -5.352 9.883 1.00 0.30 H new ATOM 0 HG2 MET A 318 8.770 -2.995 8.406 1.00 0.35 H new ATOM 0 HG3 MET A 318 8.068 -2.674 9.980 1.00 0.35 H new ATOM 0 HE1 MET A 318 11.435 -4.900 8.401 1.00 1.11 H new ATOM 0 HE2 MET A 318 10.597 -3.396 7.952 1.00 1.11 H new ATOM 0 HE3 MET A 318 11.976 -3.345 9.076 1.00 1.11 H new ATOM 996 N LYS A 319 7.852 -7.417 6.870 1.00 0.30 N ATOM 997 CA LYS A 319 7.492 -8.860 6.804 1.00 0.34 C ATOM 998 C LYS A 319 7.331 -9.420 8.218 1.00 0.33 C ATOM 999 O LYS A 319 6.413 -10.166 8.497 1.00 0.38 O ATOM 1000 CB LYS A 319 8.597 -9.626 6.073 1.00 0.46 C ATOM 1001 CG LYS A 319 8.521 -9.328 4.575 1.00 0.46 C ATOM 1002 CD LYS A 319 9.504 -10.229 3.825 1.00 0.71 C ATOM 1003 CE LYS A 319 9.553 -9.819 2.353 1.00 0.66 C ATOM 1004 NZ LYS A 319 10.131 -10.931 1.547 1.00 0.70 N ATOM 0 H LYS A 319 8.569 -7.119 6.209 1.00 0.30 H new ATOM 0 HA LYS A 319 6.551 -8.972 6.266 1.00 0.34 H new ATOM 0 HB2 LYS A 319 9.573 -9.337 6.463 1.00 0.46 H new ATOM 0 HB3 LYS A 319 8.488 -10.696 6.247 1.00 0.46 H new ATOM 0 HG2 LYS A 319 7.507 -9.496 4.211 1.00 0.46 H new ATOM 0 HG3 LYS A 319 8.757 -8.280 4.389 1.00 0.46 H new ATOM 0 HD2 LYS A 319 10.497 -10.150 4.268 1.00 0.71 H new ATOM 0 HD3 LYS A 319 9.198 -11.271 3.913 1.00 0.71 H new ATOM 0 HE2 LYS A 319 8.551 -9.581 1.997 1.00 0.66 H new ATOM 0 HE3 LYS A 319 10.156 -8.919 2.235 1.00 0.66 H new ATOM 0 HZ1 LYS A 319 11.082 -10.665 1.220 1.00 0.70 H new ATOM 0 HZ2 LYS A 319 10.193 -11.788 2.133 1.00 0.70 H new ATOM 0 HZ3 LYS A 319 9.522 -11.117 0.725 1.00 0.70 H new ATOM 1018 N ASN A 320 8.215 -9.066 9.111 1.00 0.38 N ATOM 1019 CA ASN A 320 8.113 -9.581 10.507 1.00 0.47 C ATOM 1020 C ASN A 320 7.661 -11.041 10.481 1.00 0.48 C ATOM 1021 O ASN A 320 6.788 -11.446 11.223 1.00 0.56 O ATOM 1022 CB ASN A 320 7.098 -8.744 11.288 1.00 0.55 C ATOM 1023 CG ASN A 320 7.741 -7.421 11.709 1.00 0.64 C ATOM 1024 OD1 ASN A 320 8.948 -7.286 11.688 1.00 0.97 O ATOM 1025 ND2 ASN A 320 6.980 -6.432 12.092 1.00 0.63 N ATOM 0 H ASN A 320 9.003 -8.443 8.935 1.00 0.38 H new ATOM 0 HA ASN A 320 9.087 -9.512 10.991 1.00 0.47 H new ATOM 0 HB2 ASN A 320 6.218 -8.553 10.673 1.00 0.55 H new ATOM 0 HB3 ASN A 320 6.759 -9.292 12.167 1.00 0.55 H new ATOM 0 HD21 ASN A 320 7.399 -5.546 12.374 1.00 0.63 H new ATOM 0 HD22 ASN A 320 5.966 -6.546 12.110 1.00 0.63 H new ATOM 1032 N GLY A 321 8.251 -11.834 9.631 1.00 0.48 N ATOM 1033 CA GLY A 321 7.859 -13.271 9.553 1.00 0.55 C ATOM 1034 C GLY A 321 6.754 -13.448 8.509 1.00 0.66 C ATOM 1035 O GLY A 321 5.978 -14.381 8.567 1.00 1.17 O ATOM 0 H GLY A 321 8.988 -11.550 8.986 1.00 0.48 H new ATOM 0 HA2 GLY A 321 8.723 -13.880 9.289 1.00 0.55 H new ATOM 0 HA3 GLY A 321 7.512 -13.617 10.527 1.00 0.55 H new ATOM 1039 N SER A 322 6.675 -12.562 7.554 1.00 0.51 N ATOM 1040 CA SER A 322 5.618 -12.685 6.509 1.00 0.59 C ATOM 1041 C SER A 322 6.044 -11.917 5.256 1.00 0.39 C ATOM 1042 O SER A 322 6.144 -10.707 5.263 1.00 0.51 O ATOM 1043 CB SER A 322 4.307 -12.105 7.041 1.00 0.95 C ATOM 1044 OG SER A 322 3.594 -13.118 7.738 1.00 1.49 O ATOM 0 H SER A 322 7.296 -11.759 7.452 1.00 0.51 H new ATOM 0 HA SER A 322 5.476 -13.736 6.258 1.00 0.59 H new ATOM 0 HB2 SER A 322 4.511 -11.265 7.705 1.00 0.95 H new ATOM 0 HB3 SER A 322 3.705 -11.722 6.217 1.00 0.95 H new ATOM 0 HG SER A 322 4.229 -13.731 8.164 1.00 1.49 H new ATOM 1050 N SER A 323 6.296 -12.610 4.179 1.00 0.45 N ATOM 1051 CA SER A 323 6.716 -11.916 2.928 1.00 0.48 C ATOM 1052 C SER A 323 5.528 -11.830 1.967 1.00 0.47 C ATOM 1053 O SER A 323 5.695 -11.726 0.768 1.00 0.70 O ATOM 1054 CB SER A 323 7.849 -12.702 2.266 1.00 0.73 C ATOM 1055 OG SER A 323 7.391 -14.009 1.945 1.00 1.46 O ATOM 0 H SER A 323 6.229 -13.626 4.111 1.00 0.45 H new ATOM 0 HA SER A 323 7.061 -10.911 3.169 1.00 0.48 H new ATOM 0 HB2 SER A 323 8.183 -12.190 1.364 1.00 0.73 H new ATOM 0 HB3 SER A 323 8.707 -12.759 2.936 1.00 0.73 H new ATOM 0 HG SER A 323 8.115 -14.514 1.519 1.00 1.46 H new ATOM 1061 N THR A 324 4.330 -11.877 2.481 1.00 0.37 N ATOM 1062 CA THR A 324 3.136 -11.802 1.595 1.00 0.39 C ATOM 1063 C THR A 324 2.710 -10.341 1.422 1.00 0.33 C ATOM 1064 O THR A 324 2.861 -9.528 2.313 1.00 0.35 O ATOM 1065 CB THR A 324 1.996 -12.618 2.220 1.00 0.52 C ATOM 1066 OG1 THR A 324 1.782 -13.793 1.451 1.00 1.07 O ATOM 1067 CG2 THR A 324 0.710 -11.790 2.253 1.00 0.69 C ATOM 0 H THR A 324 4.127 -11.964 3.477 1.00 0.37 H new ATOM 0 HA THR A 324 3.377 -12.212 0.614 1.00 0.39 H new ATOM 0 HB THR A 324 2.269 -12.888 3.240 1.00 0.52 H new ATOM 0 HG1 THR A 324 1.056 -14.317 1.849 1.00 1.07 H new ATOM 0 HG21 THR A 324 -0.091 -12.380 2.698 1.00 0.69 H new ATOM 0 HG22 THR A 324 0.872 -10.890 2.847 1.00 0.69 H new ATOM 0 HG23 THR A 324 0.432 -11.509 1.237 1.00 0.69 H new ATOM 1075 N THR A 325 2.170 -10.007 0.282 1.00 0.32 N ATOM 1076 CA THR A 325 1.723 -8.605 0.045 1.00 0.29 C ATOM 1077 C THR A 325 0.455 -8.342 0.859 1.00 0.24 C ATOM 1078 O THR A 325 -0.339 -9.237 1.072 1.00 0.25 O ATOM 1079 CB THR A 325 1.424 -8.418 -1.449 1.00 0.33 C ATOM 1080 OG1 THR A 325 2.648 -8.372 -2.169 1.00 0.64 O ATOM 1081 CG2 THR A 325 0.648 -7.114 -1.682 1.00 0.32 C ATOM 0 H THR A 325 2.019 -10.647 -0.498 1.00 0.32 H new ATOM 0 HA THR A 325 2.503 -7.908 0.349 1.00 0.29 H new ATOM 0 HB THR A 325 0.818 -9.255 -1.796 1.00 0.33 H new ATOM 0 HG1 THR A 325 2.804 -9.236 -2.604 1.00 0.64 H new ATOM 0 HG21 THR A 325 0.444 -6.997 -2.746 1.00 0.32 H new ATOM 0 HG22 THR A 325 -0.294 -7.148 -1.134 1.00 0.32 H new ATOM 0 HG23 THR A 325 1.242 -6.270 -1.331 1.00 0.32 H new ATOM 1089 N PRO A 326 0.301 -7.117 1.281 1.00 0.21 N ATOM 1090 CA PRO A 326 -0.866 -6.695 2.066 1.00 0.20 C ATOM 1091 C PRO A 326 -2.103 -6.578 1.177 1.00 0.17 C ATOM 1092 O PRO A 326 -2.027 -6.686 -0.030 1.00 0.19 O ATOM 1093 CB PRO A 326 -0.450 -5.334 2.631 1.00 0.21 C ATOM 1094 CG PRO A 326 0.699 -4.814 1.740 1.00 0.21 C ATOM 1095 CD PRO A 326 1.273 -6.039 1.007 1.00 0.22 C ATOM 0 HA PRO A 326 -1.135 -7.405 2.848 1.00 0.20 H new ATOM 0 HB2 PRO A 326 -1.290 -4.639 2.624 1.00 0.21 H new ATOM 0 HB3 PRO A 326 -0.124 -5.429 3.667 1.00 0.21 H new ATOM 0 HG2 PRO A 326 0.334 -4.073 1.029 1.00 0.21 H new ATOM 0 HG3 PRO A 326 1.467 -4.327 2.342 1.00 0.21 H new ATOM 0 HD2 PRO A 326 1.370 -5.853 -0.063 1.00 0.22 H new ATOM 0 HD3 PRO A 326 2.266 -6.295 1.377 1.00 0.22 H new ATOM 1103 N ALA A 327 -3.243 -6.363 1.769 1.00 0.18 N ATOM 1104 CA ALA A 327 -4.487 -6.241 0.964 1.00 0.18 C ATOM 1105 C ALA A 327 -4.820 -4.762 0.786 1.00 0.17 C ATOM 1106 O ALA A 327 -4.519 -3.943 1.631 1.00 0.25 O ATOM 1107 CB ALA A 327 -5.639 -6.940 1.688 1.00 0.25 C ATOM 0 H ALA A 327 -3.367 -6.266 2.777 1.00 0.18 H new ATOM 0 HA ALA A 327 -4.341 -6.707 -0.010 1.00 0.18 H new ATOM 0 HB1 ALA A 327 -6.550 -6.849 1.096 1.00 0.25 H new ATOM 0 HB2 ALA A 327 -5.398 -7.994 1.823 1.00 0.25 H new ATOM 0 HB3 ALA A 327 -5.792 -6.475 2.662 1.00 0.25 H new ATOM 1113 N ALA A 328 -5.434 -4.409 -0.306 1.00 0.18 N ATOM 1114 CA ALA A 328 -5.775 -2.980 -0.527 1.00 0.19 C ATOM 1115 C ALA A 328 -7.155 -2.874 -1.174 1.00 0.21 C ATOM 1116 O ALA A 328 -7.466 -3.567 -2.123 1.00 0.24 O ATOM 1117 CB ALA A 328 -4.730 -2.342 -1.442 1.00 0.26 C ATOM 0 H ALA A 328 -5.713 -5.046 -1.052 1.00 0.18 H new ATOM 0 HA ALA A 328 -5.786 -2.459 0.430 1.00 0.19 H new ATOM 0 HB1 ALA A 328 -4.980 -1.294 -1.604 1.00 0.26 H new ATOM 0 HB2 ALA A 328 -3.747 -2.413 -0.976 1.00 0.26 H new ATOM 0 HB3 ALA A 328 -4.717 -2.864 -2.399 1.00 0.26 H new ATOM 1123 N THR A 329 -7.983 -2.006 -0.666 1.00 0.22 N ATOM 1124 CA THR A 329 -9.345 -1.842 -1.245 1.00 0.26 C ATOM 1125 C THR A 329 -9.578 -0.367 -1.566 1.00 0.23 C ATOM 1126 O THR A 329 -8.942 0.505 -1.010 1.00 0.24 O ATOM 1127 CB THR A 329 -10.393 -2.318 -0.238 1.00 0.34 C ATOM 1128 OG1 THR A 329 -9.905 -2.122 1.082 1.00 0.36 O ATOM 1129 CG2 THR A 329 -10.684 -3.801 -0.466 1.00 0.42 C ATOM 0 H THR A 329 -7.775 -1.401 0.128 1.00 0.22 H new ATOM 0 HA THR A 329 -9.429 -2.434 -2.156 1.00 0.26 H new ATOM 0 HB THR A 329 -11.312 -1.747 -0.371 1.00 0.34 H new ATOM 0 HG1 THR A 329 -10.577 -2.425 1.728 1.00 0.36 H new ATOM 0 HG21 THR A 329 -11.431 -4.140 0.252 1.00 0.42 H new ATOM 0 HG22 THR A 329 -11.061 -3.946 -1.478 1.00 0.42 H new ATOM 0 HG23 THR A 329 -9.767 -4.376 -0.335 1.00 0.42 H new ATOM 1137 N CYS A 330 -10.479 -0.078 -2.462 1.00 0.26 N ATOM 1138 CA CYS A 330 -10.736 1.345 -2.814 1.00 0.27 C ATOM 1139 C CYS A 330 -12.236 1.573 -3.003 1.00 0.26 C ATOM 1140 O CYS A 330 -13.010 0.643 -3.114 1.00 0.32 O ATOM 1141 CB CYS A 330 -10.002 1.683 -4.110 1.00 0.33 C ATOM 1142 SG CYS A 330 -9.757 3.472 -4.214 1.00 0.48 S ATOM 0 H CYS A 330 -11.046 -0.762 -2.963 1.00 0.26 H new ATOM 0 HA CYS A 330 -10.377 1.986 -2.009 1.00 0.27 H new ATOM 0 HB2 CYS A 330 -9.040 1.171 -4.140 1.00 0.33 H new ATOM 0 HB3 CYS A 330 -10.576 1.333 -4.968 1.00 0.33 H new ATOM 1147 N ALA A 331 -12.650 2.810 -3.042 1.00 0.34 N ATOM 1148 CA ALA A 331 -14.097 3.111 -3.225 1.00 0.45 C ATOM 1149 C ALA A 331 -14.248 4.513 -3.817 1.00 0.53 C ATOM 1150 O ALA A 331 -13.434 5.385 -3.587 1.00 0.48 O ATOM 1151 CB ALA A 331 -14.805 3.052 -1.870 1.00 0.53 C ATOM 0 H ALA A 331 -12.046 3.627 -2.955 1.00 0.34 H new ATOM 0 HA ALA A 331 -14.542 2.378 -3.899 1.00 0.45 H new ATOM 0 HB1 ALA A 331 -15.864 3.272 -2.003 1.00 0.53 H new ATOM 0 HB2 ALA A 331 -14.692 2.055 -1.444 1.00 0.53 H new ATOM 0 HB3 ALA A 331 -14.364 3.787 -1.197 1.00 0.53 H new ATOM 1157 N GLY A 332 -15.282 4.739 -4.579 1.00 0.75 N ATOM 1158 CA GLY A 332 -15.479 6.087 -5.184 1.00 0.92 C ATOM 1159 C GLY A 332 -16.176 7.003 -4.177 1.00 0.97 C ATOM 1160 O GLY A 332 -17.208 6.669 -3.630 1.00 1.35 O ATOM 0 H GLY A 332 -15.998 4.050 -4.809 1.00 0.75 H new ATOM 0 HA2 GLY A 332 -14.517 6.512 -5.473 1.00 0.92 H new ATOM 0 HA3 GLY A 332 -16.077 6.006 -6.092 1.00 0.92 H new ATOM 1164 N SER A 333 -15.619 8.157 -3.927 1.00 1.26 N ATOM 1165 CA SER A 333 -16.250 9.094 -2.955 1.00 2.21 C ATOM 1166 C SER A 333 -16.393 10.475 -3.597 1.00 2.77 C ATOM 1167 O SER A 333 -16.869 11.374 -2.923 1.00 3.20 O ATOM 1168 CB SER A 333 -15.373 9.200 -1.707 1.00 2.85 C ATOM 1169 OG SER A 333 -16.173 9.601 -0.603 1.00 3.25 O ATOM 1170 OXT SER A 333 -16.024 10.610 -4.752 1.00 3.30 O ATOM 0 H SER A 333 -14.755 8.491 -4.354 1.00 1.26 H new ATOM 0 HA SER A 333 -17.235 8.720 -2.676 1.00 2.21 H new ATOM 0 HB2 SER A 333 -14.900 8.240 -1.498 1.00 2.85 H new ATOM 0 HB3 SER A 333 -14.572 9.921 -1.871 1.00 2.85 H new ATOM 0 HG SER A 333 -16.746 10.350 -0.869 1.00 3.25 H new TER 1176 SER A 333 CONECT 29 1142 CONECT 1142 29 END