USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) HEADER HYDROLASE 27-OCT-98 2XBD TITLE INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI TITLE 2 XYLANASE D, NMR, MINIMIZED AVERAGE STRUCTURE 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 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; SOURCE 3 ORGANISM_TAXID: 1708; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: JM83 KEYWDS HYDROLASE, XYLAN BINDING DOMAIN, XYLANASE, BETA-SHEET EXPDTA SOLUTION NMR AUTHOR P.J.SIMPSON,D.N.BOLAM,A.COOPER,A.CIRUELA,G.P.HAZLEWOOD, AUTHOR 2 H.J.GILBERT,M.P.WILLIAMSON REVDAT 2 24-FEB-09 2XBD 1 VERSN REVDAT 1 21-JUL-99 2XBD 0 JRNL AUTH P.J.SIMPSON,D.N.BOLAM,A.COOPER,A.CIRUELA, JRNL AUTH 2 G.P.HAZLEWOOD,H.J.GILBERT,M.P.WILLIAMSON JRNL TITL A FAMILY IIB XYLAN-BINDING DOMAIN HAS A SIMILAR JRNL TITL 2 SECONDARY STRUCTURE TO A HOMOLOGOUS FAMILY IIA JRNL TITL 3 CELLULOSE-BINDING DOMAIN BUT DIFFERENT LIGAND JRNL TITL 4 SPECIFICITY. JRNL REF STRUCTURE FOLD.DES. V. 7 853 1999 JRNL REFN ISSN 0969-2126 JRNL PMID 10425686 JRNL DOI 10.1016/S0969-2126(99)80108-7 REMARK 1 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 2XBD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. 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 : NULL 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 MHZ, 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX500, DRX600, DRX800 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 : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE STRUCTURE, REMARK 210 CALCULATED FROM 38 LOWEST REMARK 210 ENERGY STRUCTURES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING HETERONUCLEAR NMR REMARK 210 SPECTROSCOPY ON A UNIFORMLY 15N-LABELLED SAMPLE OF XBD1 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 ALA A 256 -80.56 -92.05 REMARK 500 ARG A 262 170.15 174.80 REMARK 500 ALA A 293 149.94 177.79 REMARK 500 LYS A 319 -73.88 -60.30 REMARK 500 THR A 325 159.68 -47.03 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 0.23 SIDE_CHAIN REMARK 500 ARG A 262 0.32 SIDE_CHAIN REMARK 500 ARG A 302 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: XBD REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: BINDING SITE TRYPTOPHANS DBREF 2XBD A 247 333 UNP P54865 XYND_CELFI 247 333 SEQRES 1 A 87 THR GLY CYS SER VAL THR ALA THR ARG ALA GLU GLU TRP SEQRES 2 A 87 SER ASP ARG 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 THR A 252 ARG A 255 0 SHEET 2 A 4 ARG A 262 SER A 268 -1 N SER A 268 O THR A 252 SHEET 3 A 4 THR A 312 MET A 318 -1 N VAL A 317 O PHE A 263 SHEET 4 A 4 ILE A 287 TRP A 291 -1 N TRP A 291 O GLY A 314 SHEET 1 B 4 ALA A 328 CYS A 330 0 SHEET 2 B 4 VAL A 277 LEU A 279 -1 N ASN A 278 O THR A 329 SHEET 3 B 4 ARG A 302 THR A 305 -1 N VAL A 304 O VAL A 277 SHEET 4 B 4 ASN A 294 THR A 296 -1 N THR A 296 O THR A 303 SSBOND *** CYS A 249 CYS A 330 1555 1555 2.02 SITE *** XBD 2 TRP A 259 TRP A 291 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 264 ASN : amide:sc= -0.932 K(o=-2.2,f=-5.1!) USER MOD Set 1.2: A 316 THR OG1 : rot -73:sc= -1.28! USER MOD Set 2.1: A 252 THR OG1 : rot 71:sc= 0.65 USER MOD Set 2.2: A 268 SER OG : rot 180:sc= 0.556 USER MOD Single : A 247 THR OG1 : rot 28:sc= 0.0805 USER MOD Single : A 250 SER OG : rot 180:sc= 0 USER MOD Single : A 254 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 266 THR OG1 : rot 180:sc= 0 USER MOD Single : A 267 TYR OH : rot -175:sc= -2.28! USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 272 SER OG : rot 20:sc= 0.868 USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 276 THR OG1 : rot 114:sc= 1.28 USER MOD Single : A 278 ASN : amide:sc= -0.443 K(o=-0.44,f=-3.8!) USER MOD Single : A 282 ASN : amide:sc=-0.000363 X(o=-0.00036,f=-0.00036) USER MOD Single : A 284 SER OG : rot 180:sc= 0 USER MOD Single : A 285 GLN : amide:sc= -5.71! C(o=-5.7!,f=-7.5!) USER MOD Single : A 286 THR OG1 : rot 180:sc= 0 USER MOD Single : A 288 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 290 SER OG : rot 43:sc= 0.176 USER MOD Single : A 292 ASN : amide:sc= -1.32 K(o=-1.3,f=-1.9) USER MOD Single : A 294 ASN :FLIP amide:sc= -0.0588 F(o=-0.67,f=-0.059) USER MOD Single : A 296 THR OG1 : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= -0.106 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= 0 USER MOD Single : A 307 ASN : amide:sc= -0.298 K(o=-0.3,f=-1) USER MOD Single : A 309 SER OG : rot 180:sc= 0 USER MOD Single : A 311 ASN : amide:sc= -2.77 K(o=-2.8,f=-9!) USER MOD Single : A 312 THR OG1 : rot 180:sc= 0 USER MOD Single : A 318 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 319 LYS NZ :NH3+ 159:sc= -0.116 (180deg=-0.883) USER MOD Single : A 320 ASN : amide:sc= -0.132 K(o=-0.13,f=-2!) USER MOD Single : A 322 SER OG : rot 180:sc= 0 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 180:sc= 0.0265 USER MOD Single : A 329 THR OG1 : rot 90:sc= -0.479 USER MOD Single : A 333 SER OG : rot 84:sc= 0.0826 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 247 -2.630 -10.182 -20.189 1.00 3.54 N ATOM 2 CA THR A 247 -1.513 -10.945 -19.563 1.00 2.96 C ATOM 3 C THR A 247 -0.720 -10.022 -18.636 1.00 2.20 C ATOM 4 O THR A 247 0.428 -10.274 -18.327 1.00 2.62 O ATOM 5 CB THR A 247 -0.589 -11.486 -20.658 1.00 3.58 C ATOM 6 OG1 THR A 247 -1.323 -12.359 -21.505 1.00 4.18 O ATOM 7 CG2 THR A 247 0.572 -12.248 -20.018 1.00 4.36 C ATOM 0 HA THR A 247 -1.919 -11.776 -18.986 1.00 2.96 H new ATOM 0 HB THR A 247 -0.195 -10.656 -21.245 1.00 3.58 H new ATOM 0 HG1 THR A 247 -2.268 -12.098 -21.504 1.00 4.18 H new ATOM 0 HG21 THR A 247 1.229 -12.633 -20.798 1.00 4.36 H new ATOM 0 HG22 THR A 247 1.134 -11.577 -19.369 1.00 4.36 H new ATOM 0 HG23 THR A 247 0.182 -13.079 -19.430 1.00 4.36 H new ATOM 17 N GLY A 248 -1.322 -8.953 -18.190 1.00 1.71 N ATOM 18 CA GLY A 248 -0.601 -8.015 -17.284 1.00 1.37 C ATOM 19 C GLY A 248 -1.524 -7.602 -16.136 1.00 1.14 C ATOM 20 O GLY A 248 -2.719 -7.466 -16.306 1.00 1.59 O ATOM 0 H GLY A 248 -2.281 -8.689 -18.414 1.00 1.71 H new ATOM 0 HA2 GLY A 248 0.296 -8.492 -16.889 1.00 1.37 H new ATOM 0 HA3 GLY A 248 -0.277 -7.134 -17.839 1.00 1.37 H new ATOM 24 N CYS A 249 -0.979 -7.402 -14.967 1.00 0.70 N ATOM 25 CA CYS A 249 -1.825 -6.998 -13.810 1.00 0.49 C ATOM 26 C CYS A 249 -1.525 -5.543 -13.442 1.00 0.46 C ATOM 27 O CYS A 249 -0.588 -4.949 -13.936 1.00 0.56 O ATOM 28 CB CYS A 249 -1.518 -7.900 -12.613 1.00 0.55 C ATOM 29 SG CYS A 249 0.267 -7.914 -12.311 1.00 0.94 S ATOM 0 H CYS A 249 0.016 -7.501 -14.764 1.00 0.70 H new ATOM 0 HA CYS A 249 -2.877 -7.096 -14.078 1.00 0.49 H new ATOM 0 HB2 CYS A 249 -2.045 -7.541 -11.729 1.00 0.55 H new ATOM 0 HB3 CYS A 249 -1.873 -8.912 -12.806 1.00 0.55 H new ATOM 34 N SER A 250 -2.314 -4.965 -12.578 1.00 0.41 N ATOM 35 CA SER A 250 -2.073 -3.550 -12.180 1.00 0.40 C ATOM 36 C SER A 250 -2.534 -3.336 -10.744 1.00 0.34 C ATOM 37 O SER A 250 -3.083 -4.219 -10.116 1.00 0.33 O ATOM 38 CB SER A 250 -2.845 -2.615 -13.111 1.00 0.47 C ATOM 39 OG SER A 250 -3.603 -3.390 -14.031 1.00 1.31 O ATOM 0 H SER A 250 -3.115 -5.412 -12.131 1.00 0.41 H new ATOM 0 HA SER A 250 -1.007 -3.333 -12.253 1.00 0.40 H new ATOM 0 HB2 SER A 250 -3.505 -1.969 -12.532 1.00 0.47 H new ATOM 0 HB3 SER A 250 -2.154 -1.965 -13.648 1.00 0.47 H new ATOM 0 HG SER A 250 -4.101 -2.794 -14.629 1.00 1.31 H new ATOM 45 N VAL A 251 -2.298 -2.171 -10.215 1.00 0.34 N ATOM 46 CA VAL A 251 -2.704 -1.902 -8.813 1.00 0.30 C ATOM 47 C VAL A 251 -3.427 -0.556 -8.738 1.00 0.36 C ATOM 48 O VAL A 251 -2.859 0.481 -9.018 1.00 0.78 O ATOM 49 CB VAL A 251 -1.454 -1.862 -7.936 1.00 0.29 C ATOM 50 CG1 VAL A 251 -1.802 -2.362 -6.540 1.00 0.29 C ATOM 51 CG2 VAL A 251 -0.371 -2.760 -8.539 1.00 0.30 C ATOM 0 H VAL A 251 -1.842 -1.394 -10.693 1.00 0.34 H new ATOM 0 HA VAL A 251 -3.375 -2.687 -8.465 1.00 0.30 H new ATOM 0 HB VAL A 251 -1.085 -0.838 -7.880 1.00 0.29 H new ATOM 0 HG11 VAL A 251 -0.912 -2.335 -5.911 1.00 0.29 H new ATOM 0 HG12 VAL A 251 -2.572 -1.724 -6.106 1.00 0.29 H new ATOM 0 HG13 VAL A 251 -2.171 -3.386 -6.602 1.00 0.29 H new ATOM 0 HG21 VAL A 251 0.519 -2.729 -7.911 1.00 0.30 H new ATOM 0 HG22 VAL A 251 -0.739 -3.785 -8.597 1.00 0.30 H new ATOM 0 HG23 VAL A 251 -0.121 -2.407 -9.540 1.00 0.30 H new ATOM 61 N THR A 252 -4.676 -0.563 -8.360 1.00 0.32 N ATOM 62 CA THR A 252 -5.433 0.717 -8.265 1.00 0.33 C ATOM 63 C THR A 252 -5.446 1.194 -6.811 1.00 0.28 C ATOM 64 O THR A 252 -6.008 0.555 -5.944 1.00 0.33 O ATOM 65 CB THR A 252 -6.870 0.497 -8.743 1.00 0.41 C ATOM 66 OG1 THR A 252 -7.219 -0.870 -8.573 1.00 0.56 O ATOM 67 CG2 THR A 252 -6.981 0.874 -10.221 1.00 0.62 C ATOM 0 H THR A 252 -5.205 -1.400 -8.113 1.00 0.32 H new ATOM 0 HA THR A 252 -4.954 1.470 -8.891 1.00 0.33 H new ATOM 0 HB THR A 252 -7.547 1.121 -8.160 1.00 0.41 H new ATOM 0 HG1 THR A 252 -7.319 -1.066 -7.618 1.00 0.56 H new ATOM 0 HG21 THR A 252 -8.005 0.717 -10.561 1.00 0.62 H new ATOM 0 HG22 THR A 252 -6.713 1.923 -10.350 1.00 0.62 H new ATOM 0 HG23 THR A 252 -6.305 0.252 -10.807 1.00 0.62 H new ATOM 75 N ALA A 253 -4.829 2.311 -6.538 1.00 0.30 N ATOM 76 CA ALA A 253 -4.806 2.826 -5.140 1.00 0.31 C ATOM 77 C ALA A 253 -5.714 4.054 -5.034 1.00 0.33 C ATOM 78 O ALA A 253 -5.610 4.984 -5.809 1.00 0.59 O ATOM 79 CB ALA A 253 -3.376 3.216 -4.764 1.00 0.40 C ATOM 0 H ALA A 253 -4.340 2.889 -7.222 1.00 0.30 H new ATOM 0 HA ALA A 253 -5.162 2.051 -4.461 1.00 0.31 H new ATOM 0 HB1 ALA A 253 -3.359 3.593 -3.741 1.00 0.40 H new ATOM 0 HB2 ALA A 253 -2.729 2.342 -4.840 1.00 0.40 H new ATOM 0 HB3 ALA A 253 -3.020 3.991 -5.442 1.00 0.40 H new ATOM 85 N THR A 254 -6.603 4.064 -4.079 1.00 0.38 N ATOM 86 CA THR A 254 -7.516 5.231 -3.923 1.00 0.45 C ATOM 87 C THR A 254 -7.421 5.765 -2.493 1.00 0.39 C ATOM 88 O THR A 254 -6.978 5.080 -1.592 1.00 0.52 O ATOM 89 CB THR A 254 -8.955 4.797 -4.212 1.00 0.60 C ATOM 90 OG1 THR A 254 -8.946 3.519 -4.833 1.00 1.03 O ATOM 91 CG2 THR A 254 -9.620 5.814 -5.140 1.00 1.05 C ATOM 0 H THR A 254 -6.736 3.315 -3.400 1.00 0.38 H new ATOM 0 HA THR A 254 -7.226 6.014 -4.623 1.00 0.45 H new ATOM 0 HB THR A 254 -9.514 4.743 -3.278 1.00 0.60 H new ATOM 0 HG1 THR A 254 -9.867 3.238 -5.017 1.00 1.03 H new ATOM 0 HG21 THR A 254 -10.645 5.504 -5.345 1.00 1.05 H new ATOM 0 HG22 THR A 254 -9.626 6.793 -4.662 1.00 1.05 H new ATOM 0 HG23 THR A 254 -9.064 5.871 -6.076 1.00 1.05 H new ATOM 99 N ARG A 255 -7.833 6.984 -2.276 1.00 0.50 N ATOM 100 CA ARG A 255 -7.767 7.561 -0.904 1.00 0.43 C ATOM 101 C ARG A 255 -9.151 7.495 -0.255 1.00 0.44 C ATOM 102 O ARG A 255 -10.109 8.047 -0.758 1.00 0.64 O ATOM 103 CB ARG A 255 -7.310 9.019 -0.985 1.00 0.52 C ATOM 104 CG ARG A 255 -5.804 9.069 -1.250 1.00 0.67 C ATOM 105 CD ARG A 255 -5.103 9.769 -0.085 1.00 0.76 C ATOM 106 NE ARG A 255 -5.590 11.174 0.016 1.00 0.83 N ATOM 107 CZ ARG A 255 -4.798 12.163 -0.296 1.00 1.26 C ATOM 108 NH1 ARG A 255 -3.587 12.207 0.188 1.00 1.92 N ATOM 109 NH2 ARG A 255 -5.218 13.108 -1.092 1.00 2.04 N ATOM 0 H ARG A 255 -8.213 7.605 -2.990 1.00 0.50 H new ATOM 0 HA ARG A 255 -7.058 6.991 -0.304 1.00 0.43 H new ATOM 0 HB2 ARG A 255 -7.847 9.536 -1.780 1.00 0.52 H new ATOM 0 HB3 ARG A 255 -7.543 9.536 -0.054 1.00 0.52 H new ATOM 0 HG2 ARG A 255 -5.412 8.059 -1.370 1.00 0.67 H new ATOM 0 HG3 ARG A 255 -5.605 9.601 -2.180 1.00 0.67 H new ATOM 0 HD2 ARG A 255 -5.301 9.237 0.845 1.00 0.76 H new ATOM 0 HD3 ARG A 255 -4.024 9.757 -0.236 1.00 0.76 H new ATOM 0 HE ARG A 255 -6.542 11.362 0.329 1.00 0.83 H new ATOM 0 HH11 ARG A 255 -3.259 11.468 0.810 1.00 1.92 H new ATOM 0 HH12 ARG A 255 -2.968 12.980 -0.056 1.00 1.92 H new ATOM 0 HH21 ARG A 255 -6.165 13.073 -1.470 1.00 2.04 H new ATOM 0 HH22 ARG A 255 -4.599 13.881 -1.336 1.00 2.04 H new ATOM 123 N ALA A 256 -9.263 6.824 0.859 1.00 0.45 N ATOM 124 CA ALA A 256 -10.585 6.724 1.538 1.00 0.53 C ATOM 125 C ALA A 256 -10.722 7.856 2.557 1.00 0.51 C ATOM 126 O ALA A 256 -11.348 8.865 2.299 1.00 0.79 O ATOM 127 CB ALA A 256 -10.689 5.376 2.255 1.00 0.60 C ATOM 0 H ALA A 256 -8.496 6.341 1.328 1.00 0.45 H new ATOM 0 HA ALA A 256 -11.381 6.804 0.798 1.00 0.53 H new ATOM 0 HB1 ALA A 256 -11.656 5.302 2.752 1.00 0.60 H new ATOM 0 HB2 ALA A 256 -10.592 4.569 1.529 1.00 0.60 H new ATOM 0 HB3 ALA A 256 -9.893 5.295 2.996 1.00 0.60 H new ATOM 133 N GLU A 257 -10.140 7.698 3.715 1.00 0.51 N ATOM 134 CA GLU A 257 -10.237 8.766 4.749 1.00 0.52 C ATOM 135 C GLU A 257 -8.920 9.543 4.805 1.00 0.46 C ATOM 136 O GLU A 257 -7.854 8.990 4.622 1.00 0.65 O ATOM 137 CB GLU A 257 -10.513 8.131 6.114 1.00 0.61 C ATOM 138 CG GLU A 257 -11.788 7.289 6.037 1.00 0.82 C ATOM 139 CD GLU A 257 -12.429 7.205 7.423 1.00 1.32 C ATOM 140 OE1 GLU A 257 -11.769 7.571 8.382 1.00 2.01 O ATOM 141 OE2 GLU A 257 -13.568 6.777 7.503 1.00 1.93 O ATOM 0 H GLU A 257 -9.602 6.876 3.989 1.00 0.51 H new ATOM 0 HA GLU A 257 -11.050 9.446 4.494 1.00 0.52 H new ATOM 0 HB2 GLU A 257 -9.671 7.508 6.414 1.00 0.61 H new ATOM 0 HB3 GLU A 257 -10.622 8.906 6.872 1.00 0.61 H new ATOM 0 HG2 GLU A 257 -12.487 7.732 5.328 1.00 0.82 H new ATOM 0 HG3 GLU A 257 -11.554 6.289 5.672 1.00 0.82 H new ATOM 148 N GLU A 258 -8.984 10.822 5.056 1.00 0.48 N ATOM 149 CA GLU A 258 -7.735 11.632 5.123 1.00 0.50 C ATOM 150 C GLU A 258 -7.685 12.382 6.456 1.00 0.49 C ATOM 151 O GLU A 258 -8.610 13.079 6.822 1.00 0.72 O ATOM 152 CB GLU A 258 -7.716 12.637 3.970 1.00 0.72 C ATOM 153 CG GLU A 258 -9.144 13.098 3.670 1.00 1.49 C ATOM 154 CD GLU A 258 -9.135 14.040 2.465 1.00 1.90 C ATOM 155 OE1 GLU A 258 -8.055 14.359 1.996 1.00 2.36 O ATOM 156 OE2 GLU A 258 -10.208 14.428 2.033 1.00 2.46 O ATOM 0 H GLU A 258 -9.847 11.341 5.218 1.00 0.48 H new ATOM 0 HA GLU A 258 -6.870 10.974 5.044 1.00 0.50 H new ATOM 0 HB2 GLU A 258 -7.093 13.493 4.230 1.00 0.72 H new ATOM 0 HB3 GLU A 258 -7.276 12.181 3.083 1.00 0.72 H new ATOM 0 HG2 GLU A 258 -9.780 12.237 3.467 1.00 1.49 H new ATOM 0 HG3 GLU A 258 -9.563 13.606 4.539 1.00 1.49 H new ATOM 163 N TRP A 259 -6.611 12.246 7.184 1.00 0.46 N ATOM 164 CA TRP A 259 -6.502 12.952 8.492 1.00 0.57 C ATOM 165 C TRP A 259 -5.452 14.059 8.388 1.00 0.60 C ATOM 166 O TRP A 259 -4.968 14.371 7.318 1.00 0.72 O ATOM 167 CB TRP A 259 -6.088 11.956 9.576 1.00 0.63 C ATOM 168 CG TRP A 259 -7.261 11.108 9.949 1.00 0.69 C ATOM 169 CD1 TRP A 259 -8.214 11.452 10.846 1.00 0.98 C ATOM 170 CD2 TRP A 259 -7.623 9.786 9.454 1.00 0.60 C ATOM 171 NE1 TRP A 259 -9.138 10.426 10.933 1.00 1.03 N ATOM 172 CE2 TRP A 259 -8.817 9.377 10.094 1.00 0.79 C ATOM 173 CE3 TRP A 259 -7.037 8.911 8.522 1.00 0.57 C ATOM 174 CZ2 TRP A 259 -9.408 8.144 9.818 1.00 0.80 C ATOM 175 CZ3 TRP A 259 -7.630 7.669 8.242 1.00 0.68 C ATOM 176 CH2 TRP A 259 -8.813 7.286 8.889 1.00 0.72 C ATOM 0 H TRP A 259 -5.804 11.676 6.930 1.00 0.46 H new ATOM 0 HA TRP A 259 -7.466 13.390 8.750 1.00 0.57 H new ATOM 0 HB2 TRP A 259 -5.272 11.329 9.216 1.00 0.63 H new ATOM 0 HB3 TRP A 259 -5.718 12.489 10.452 1.00 0.63 H new ATOM 0 HD1 TRP A 259 -8.248 12.377 11.403 1.00 0.98 H new ATOM 0 HE1 TRP A 259 -9.956 10.442 11.542 1.00 1.03 H new ATOM 0 HE3 TRP A 259 -6.125 9.196 8.018 1.00 0.57 H new ATOM 0 HZ2 TRP A 259 -10.320 7.854 10.319 1.00 0.80 H new ATOM 0 HZ3 TRP A 259 -7.172 7.005 7.524 1.00 0.68 H new ATOM 0 HH2 TRP A 259 -9.264 6.329 8.670 1.00 0.72 H new ATOM 187 N SER A 260 -5.096 14.657 9.492 1.00 0.67 N ATOM 188 CA SER A 260 -4.077 15.744 9.456 1.00 0.72 C ATOM 189 C SER A 260 -2.721 15.189 9.897 1.00 0.57 C ATOM 190 O SER A 260 -1.749 15.910 10.002 1.00 0.72 O ATOM 191 CB SER A 260 -4.499 16.869 10.401 1.00 0.99 C ATOM 192 OG SER A 260 -5.850 17.224 10.135 1.00 1.67 O ATOM 0 H SER A 260 -5.467 14.440 10.417 1.00 0.67 H new ATOM 0 HA SER A 260 -3.997 16.133 8.441 1.00 0.72 H new ATOM 0 HB2 SER A 260 -4.392 16.548 11.437 1.00 0.99 H new ATOM 0 HB3 SER A 260 -3.850 17.735 10.267 1.00 0.99 H new ATOM 0 HG SER A 260 -6.124 17.944 10.741 1.00 1.67 H new ATOM 198 N ASP A 261 -2.648 13.912 10.158 1.00 0.52 N ATOM 199 CA ASP A 261 -1.354 13.313 10.592 1.00 0.57 C ATOM 200 C ASP A 261 -1.101 12.022 9.811 1.00 0.46 C ATOM 201 O ASP A 261 -0.171 11.291 10.087 1.00 0.63 O ATOM 202 CB ASP A 261 -1.414 13.001 12.089 1.00 0.84 C ATOM 203 CG ASP A 261 -2.707 12.247 12.402 1.00 1.02 C ATOM 204 OD1 ASP A 261 -3.766 12.825 12.219 1.00 1.55 O ATOM 205 OD2 ASP A 261 -2.618 11.104 12.819 1.00 1.58 O ATOM 0 H ASP A 261 -3.428 13.258 10.089 1.00 0.52 H new ATOM 0 HA ASP A 261 -0.545 14.017 10.399 1.00 0.57 H new ATOM 0 HB2 ASP A 261 -0.551 12.402 12.381 1.00 0.84 H new ATOM 0 HB3 ASP A 261 -1.371 13.925 12.666 1.00 0.84 H new ATOM 210 N ARG A 262 -1.921 11.736 8.837 1.00 0.48 N ATOM 211 CA ARG A 262 -1.726 10.492 8.040 1.00 0.38 C ATOM 212 C ARG A 262 -2.887 10.330 7.056 1.00 0.36 C ATOM 213 O ARG A 262 -3.871 11.039 7.121 1.00 0.49 O ATOM 214 CB ARG A 262 -1.682 9.286 8.980 1.00 0.39 C ATOM 215 CG ARG A 262 -2.839 9.372 9.977 1.00 0.55 C ATOM 216 CD ARG A 262 -2.795 8.165 10.916 1.00 0.64 C ATOM 217 NE ARG A 262 -3.890 8.277 11.921 1.00 1.10 N ATOM 218 CZ ARG A 262 -4.140 7.282 12.727 1.00 1.41 C ATOM 219 NH1 ARG A 262 -3.479 7.168 13.847 1.00 1.99 N ATOM 220 NH2 ARG A 262 -5.051 6.401 12.414 1.00 2.11 N ATOM 0 H ARG A 262 -2.717 12.310 8.559 1.00 0.48 H new ATOM 0 HA ARG A 262 -0.788 10.557 7.488 1.00 0.38 H new ATOM 0 HB2 ARG A 262 -1.751 8.362 8.406 1.00 0.39 H new ATOM 0 HB3 ARG A 262 -0.731 9.261 9.512 1.00 0.39 H new ATOM 0 HG2 ARG A 262 -2.770 10.296 10.552 1.00 0.55 H new ATOM 0 HG3 ARG A 262 -3.790 9.398 9.445 1.00 0.55 H new ATOM 0 HD2 ARG A 262 -2.904 7.243 10.345 1.00 0.64 H new ATOM 0 HD3 ARG A 262 -1.829 8.117 11.419 1.00 0.64 H new ATOM 0 HE ARG A 262 -4.444 9.132 11.979 1.00 1.10 H new ATOM 0 HH11 ARG A 262 -2.767 7.857 14.092 1.00 1.99 H new ATOM 0 HH12 ARG A 262 -3.674 6.390 14.477 1.00 1.99 H new ATOM 0 HH21 ARG A 262 -5.568 6.490 11.539 1.00 2.11 H new ATOM 0 HH22 ARG A 262 -5.246 5.623 13.044 1.00 2.11 H new ATOM 234 N PHE A 263 -2.779 9.402 6.145 1.00 0.28 N ATOM 235 CA PHE A 263 -3.877 9.196 5.159 1.00 0.29 C ATOM 236 C PHE A 263 -4.005 7.704 4.843 1.00 0.29 C ATOM 237 O PHE A 263 -3.027 7.023 4.607 1.00 0.40 O ATOM 238 CB PHE A 263 -3.559 9.963 3.874 1.00 0.32 C ATOM 239 CG PHE A 263 -2.248 9.474 3.307 1.00 0.30 C ATOM 240 CD1 PHE A 263 -1.046 10.068 3.709 1.00 1.23 C ATOM 241 CD2 PHE A 263 -2.235 8.427 2.378 1.00 1.21 C ATOM 242 CE1 PHE A 263 0.170 9.614 3.183 1.00 1.23 C ATOM 243 CE2 PHE A 263 -1.019 7.973 1.851 1.00 1.23 C ATOM 244 CZ PHE A 263 0.183 8.567 2.254 1.00 0.36 C ATOM 0 H PHE A 263 -1.979 8.778 6.041 1.00 0.28 H new ATOM 0 HA PHE A 263 -4.815 9.561 5.578 1.00 0.29 H new ATOM 0 HB2 PHE A 263 -4.358 9.821 3.146 1.00 0.32 H new ATOM 0 HB3 PHE A 263 -3.502 11.032 4.080 1.00 0.32 H new ATOM 0 HD1 PHE A 263 -1.056 10.877 4.425 1.00 1.23 H new ATOM 0 HD2 PHE A 263 -3.163 7.969 2.067 1.00 1.21 H new ATOM 0 HE1 PHE A 263 1.097 10.072 3.494 1.00 1.23 H new ATOM 0 HE2 PHE A 263 -1.009 7.165 1.134 1.00 1.23 H new ATOM 0 HZ PHE A 263 1.121 8.217 1.848 1.00 0.36 H new ATOM 254 N ASN A 264 -5.205 7.191 4.837 1.00 0.27 N ATOM 255 CA ASN A 264 -5.394 5.744 4.536 1.00 0.30 C ATOM 256 C ASN A 264 -5.334 5.526 3.023 1.00 0.27 C ATOM 257 O ASN A 264 -5.604 6.420 2.246 1.00 0.39 O ATOM 258 CB ASN A 264 -6.756 5.287 5.063 1.00 0.37 C ATOM 259 CG ASN A 264 -6.635 4.924 6.544 1.00 0.46 C ATOM 260 OD1 ASN A 264 -5.559 4.972 7.107 1.00 0.71 O ATOM 261 ND2 ASN A 264 -7.700 4.559 7.203 1.00 0.64 N ATOM 0 H ASN A 264 -6.062 7.711 5.027 1.00 0.27 H new ATOM 0 HA ASN A 264 -4.605 5.167 5.018 1.00 0.30 H new ATOM 0 HB2 ASN A 264 -7.493 6.079 4.931 1.00 0.37 H new ATOM 0 HB3 ASN A 264 -7.108 4.426 4.494 1.00 0.37 H new ATOM 0 HD21 ASN A 264 -7.630 4.314 8.191 1.00 0.64 H new ATOM 0 HD22 ASN A 264 -8.603 4.519 6.731 1.00 0.64 H new ATOM 268 N VAL A 265 -4.980 4.344 2.597 1.00 0.23 N ATOM 269 CA VAL A 265 -4.902 4.071 1.135 1.00 0.22 C ATOM 270 C VAL A 265 -5.588 2.739 0.826 1.00 0.25 C ATOM 271 O VAL A 265 -5.698 1.875 1.674 1.00 0.47 O ATOM 272 CB VAL A 265 -3.436 4.000 0.707 1.00 0.25 C ATOM 273 CG1 VAL A 265 -3.338 4.151 -0.812 1.00 0.29 C ATOM 274 CG2 VAL A 265 -2.653 5.128 1.382 1.00 0.26 C ATOM 0 H VAL A 265 -4.742 3.556 3.199 1.00 0.23 H new ATOM 0 HA VAL A 265 -5.402 4.872 0.590 1.00 0.22 H new ATOM 0 HB VAL A 265 -3.018 3.038 1.004 1.00 0.25 H new ATOM 0 HG11 VAL A 265 -2.292 4.100 -1.116 1.00 0.29 H new ATOM 0 HG12 VAL A 265 -3.895 3.348 -1.294 1.00 0.29 H new ATOM 0 HG13 VAL A 265 -3.756 5.113 -1.110 1.00 0.29 H new ATOM 0 HG21 VAL A 265 -1.608 5.078 1.077 1.00 0.26 H new ATOM 0 HG22 VAL A 265 -3.072 6.090 1.086 1.00 0.26 H new ATOM 0 HG23 VAL A 265 -2.721 5.021 2.465 1.00 0.26 H new ATOM 284 N THR A 266 -6.051 2.565 -0.382 1.00 0.23 N ATOM 285 CA THR A 266 -6.728 1.288 -0.743 1.00 0.25 C ATOM 286 C THR A 266 -6.062 0.692 -1.985 1.00 0.23 C ATOM 287 O THR A 266 -6.412 1.011 -3.104 1.00 0.26 O ATOM 288 CB THR A 266 -8.206 1.559 -1.038 1.00 0.32 C ATOM 289 OG1 THR A 266 -8.710 2.494 -0.094 1.00 0.42 O ATOM 290 CG2 THR A 266 -8.996 0.254 -0.939 1.00 0.36 C ATOM 0 H THR A 266 -5.990 3.252 -1.134 1.00 0.23 H new ATOM 0 HA THR A 266 -6.646 0.586 0.087 1.00 0.25 H new ATOM 0 HB THR A 266 -8.308 1.966 -2.044 1.00 0.32 H new ATOM 0 HG1 THR A 266 -9.656 2.671 -0.281 1.00 0.42 H new ATOM 0 HG21 THR A 266 -10.048 0.449 -1.149 1.00 0.36 H new ATOM 0 HG22 THR A 266 -8.608 -0.462 -1.663 1.00 0.36 H new ATOM 0 HG23 THR A 266 -8.897 -0.156 0.066 1.00 0.36 H new ATOM 298 N TYR A 267 -5.103 -0.173 -1.797 1.00 0.23 N ATOM 299 CA TYR A 267 -4.415 -0.789 -2.966 1.00 0.26 C ATOM 300 C TYR A 267 -5.124 -2.091 -3.348 1.00 0.29 C ATOM 301 O TYR A 267 -5.476 -2.888 -2.501 1.00 0.49 O ATOM 302 CB TYR A 267 -2.960 -1.090 -2.600 1.00 0.30 C ATOM 303 CG TYR A 267 -2.152 0.185 -2.649 1.00 0.25 C ATOM 304 CD1 TYR A 267 -2.044 0.990 -1.508 1.00 1.27 C ATOM 305 CD2 TYR A 267 -1.508 0.561 -3.834 1.00 1.19 C ATOM 306 CE1 TYR A 267 -1.293 2.172 -1.554 1.00 1.25 C ATOM 307 CE2 TYR A 267 -0.757 1.742 -3.879 1.00 1.20 C ATOM 308 CZ TYR A 267 -0.650 2.547 -2.739 1.00 0.22 C ATOM 309 OH TYR A 267 0.091 3.711 -2.783 1.00 0.23 O ATOM 0 H TYR A 267 -4.766 -0.480 -0.884 1.00 0.23 H new ATOM 0 HA TYR A 267 -4.443 -0.099 -3.809 1.00 0.26 H new ATOM 0 HB2 TYR A 267 -2.908 -1.527 -1.603 1.00 0.30 H new ATOM 0 HB3 TYR A 267 -2.544 -1.823 -3.292 1.00 0.30 H new ATOM 0 HD1 TYR A 267 -2.539 0.700 -0.593 1.00 1.27 H new ATOM 0 HD2 TYR A 267 -1.591 -0.060 -4.714 1.00 1.19 H new ATOM 0 HE1 TYR A 267 -1.210 2.794 -0.675 1.00 1.25 H new ATOM 0 HE2 TYR A 267 -0.260 2.032 -4.793 1.00 1.20 H new ATOM 0 HH TYR A 267 0.409 3.862 -3.698 1.00 0.23 H new ATOM 319 N SER A 268 -5.336 -2.312 -4.616 1.00 0.39 N ATOM 320 CA SER A 268 -6.022 -3.563 -5.050 1.00 0.41 C ATOM 321 C SER A 268 -5.473 -4.002 -6.409 1.00 0.36 C ATOM 322 O SER A 268 -4.858 -3.231 -7.119 1.00 0.36 O ATOM 323 CB SER A 268 -7.525 -3.305 -5.167 1.00 0.45 C ATOM 324 OG SER A 268 -7.759 -2.354 -6.197 1.00 1.38 O ATOM 0 H SER A 268 -5.064 -1.681 -5.370 1.00 0.39 H new ATOM 0 HA SER A 268 -5.843 -4.348 -4.316 1.00 0.41 H new ATOM 0 HB2 SER A 268 -8.049 -4.235 -5.389 1.00 0.45 H new ATOM 0 HB3 SER A 268 -7.917 -2.936 -4.219 1.00 0.45 H new ATOM 0 HG SER A 268 -8.722 -2.187 -6.276 1.00 1.38 H new ATOM 330 N VAL A 269 -5.690 -5.235 -6.777 1.00 0.37 N ATOM 331 CA VAL A 269 -5.180 -5.722 -8.090 1.00 0.36 C ATOM 332 C VAL A 269 -6.162 -6.740 -8.673 1.00 0.39 C ATOM 333 O VAL A 269 -6.786 -7.496 -7.956 1.00 0.45 O ATOM 334 CB VAL A 269 -3.816 -6.385 -7.893 1.00 0.41 C ATOM 335 CG1 VAL A 269 -3.326 -6.956 -9.225 1.00 0.44 C ATOM 336 CG2 VAL A 269 -2.813 -5.346 -7.387 1.00 0.42 C ATOM 0 H VAL A 269 -6.198 -5.926 -6.225 1.00 0.37 H new ATOM 0 HA VAL A 269 -5.080 -4.880 -8.775 1.00 0.36 H new ATOM 0 HB VAL A 269 -3.907 -7.190 -7.164 1.00 0.41 H new ATOM 0 HG11 VAL A 269 -2.354 -7.428 -9.083 1.00 0.44 H new ATOM 0 HG12 VAL A 269 -4.039 -7.696 -9.588 1.00 0.44 H new ATOM 0 HG13 VAL A 269 -3.235 -6.151 -9.955 1.00 0.44 H new ATOM 0 HG21 VAL A 269 -1.840 -5.818 -7.246 1.00 0.42 H new ATOM 0 HG22 VAL A 269 -2.724 -4.541 -8.116 1.00 0.42 H new ATOM 0 HG23 VAL A 269 -3.159 -4.938 -6.437 1.00 0.42 H new ATOM 346 N SER A 270 -6.304 -6.766 -9.971 1.00 0.44 N ATOM 347 CA SER A 270 -7.246 -7.735 -10.598 1.00 0.50 C ATOM 348 C SER A 270 -6.467 -8.683 -11.514 1.00 0.48 C ATOM 349 O SER A 270 -5.253 -8.660 -11.559 1.00 0.62 O ATOM 350 CB SER A 270 -8.288 -6.975 -11.418 1.00 0.59 C ATOM 351 OG SER A 270 -8.046 -5.579 -11.307 1.00 1.48 O ATOM 0 H SER A 270 -5.808 -6.158 -10.623 1.00 0.44 H new ATOM 0 HA SER A 270 -7.747 -8.311 -9.820 1.00 0.50 H new ATOM 0 HB2 SER A 270 -8.240 -7.282 -12.463 1.00 0.59 H new ATOM 0 HB3 SER A 270 -9.291 -7.211 -11.062 1.00 0.59 H new ATOM 0 HG SER A 270 -8.712 -5.089 -11.833 1.00 1.48 H new ATOM 357 N GLY A 271 -7.156 -9.516 -12.245 1.00 0.50 N ATOM 358 CA GLY A 271 -6.455 -10.463 -13.157 1.00 0.50 C ATOM 359 C GLY A 271 -6.101 -11.741 -12.394 1.00 0.53 C ATOM 360 O GLY A 271 -6.223 -12.836 -12.906 1.00 0.79 O ATOM 0 H GLY A 271 -8.174 -9.582 -12.250 1.00 0.50 H new ATOM 0 HA2 GLY A 271 -7.091 -10.701 -14.010 1.00 0.50 H new ATOM 0 HA3 GLY A 271 -5.551 -10.001 -13.553 1.00 0.50 H new ATOM 364 N SER A 272 -5.662 -11.610 -11.172 1.00 0.49 N ATOM 365 CA SER A 272 -5.300 -12.817 -10.377 1.00 0.51 C ATOM 366 C SER A 272 -4.930 -12.397 -8.954 1.00 0.50 C ATOM 367 O SER A 272 -4.796 -11.226 -8.658 1.00 0.83 O ATOM 368 CB SER A 272 -4.107 -13.518 -11.028 1.00 0.53 C ATOM 369 OG SER A 272 -4.568 -14.336 -12.095 1.00 1.37 O ATOM 0 H SER A 272 -5.538 -10.720 -10.690 1.00 0.49 H new ATOM 0 HA SER A 272 -6.149 -13.500 -10.346 1.00 0.51 H new ATOM 0 HB2 SER A 272 -3.396 -12.780 -11.401 1.00 0.53 H new ATOM 0 HB3 SER A 272 -3.580 -14.124 -10.291 1.00 0.53 H new ATOM 0 HG SER A 272 -5.457 -14.035 -12.378 1.00 1.37 H new ATOM 375 N SER A 273 -4.764 -13.342 -8.069 1.00 0.44 N ATOM 376 CA SER A 273 -4.403 -12.993 -6.667 1.00 0.42 C ATOM 377 C SER A 273 -2.909 -13.234 -6.449 1.00 0.41 C ATOM 378 O SER A 273 -2.305 -12.675 -5.555 1.00 0.38 O ATOM 379 CB SER A 273 -5.208 -13.863 -5.700 1.00 0.49 C ATOM 380 OG SER A 273 -4.468 -15.039 -5.401 1.00 1.35 O ATOM 0 H SER A 273 -4.863 -14.340 -8.257 1.00 0.44 H new ATOM 0 HA SER A 273 -4.631 -11.943 -6.485 1.00 0.42 H new ATOM 0 HB2 SER A 273 -5.420 -13.310 -4.785 1.00 0.49 H new ATOM 0 HB3 SER A 273 -6.169 -14.126 -6.143 1.00 0.49 H new ATOM 0 HG SER A 273 -4.980 -15.599 -4.780 1.00 1.35 H new ATOM 386 N ALA A 274 -2.305 -14.057 -7.262 1.00 0.45 N ATOM 387 CA ALA A 274 -0.848 -14.324 -7.103 1.00 0.46 C ATOM 388 C ALA A 274 -0.060 -13.172 -7.726 1.00 0.42 C ATOM 389 O ALA A 274 0.483 -13.290 -8.807 1.00 0.45 O ATOM 390 CB ALA A 274 -0.488 -15.633 -7.808 1.00 0.55 C ATOM 0 H ALA A 274 -2.757 -14.555 -8.029 1.00 0.45 H new ATOM 0 HA ALA A 274 -0.601 -14.408 -6.045 1.00 0.46 H new ATOM 0 HB1 ALA A 274 0.578 -15.828 -7.691 1.00 0.55 H new ATOM 0 HB2 ALA A 274 -1.057 -16.452 -7.368 1.00 0.55 H new ATOM 0 HB3 ALA A 274 -0.728 -15.553 -8.868 1.00 0.55 H new ATOM 396 N TRP A 275 -0.002 -12.055 -7.056 1.00 0.37 N ATOM 397 CA TRP A 275 0.741 -10.889 -7.611 1.00 0.36 C ATOM 398 C TRP A 275 1.724 -10.360 -6.565 1.00 0.35 C ATOM 399 O TRP A 275 1.705 -10.763 -5.419 1.00 0.34 O ATOM 400 CB TRP A 275 -0.256 -9.787 -7.975 1.00 0.31 C ATOM 401 CG TRP A 275 -1.259 -9.645 -6.874 1.00 0.26 C ATOM 402 CD1 TRP A 275 -2.554 -10.036 -6.944 1.00 0.28 C ATOM 403 CD2 TRP A 275 -1.074 -9.083 -5.543 1.00 0.26 C ATOM 404 NE1 TRP A 275 -3.173 -9.747 -5.742 1.00 0.30 N ATOM 405 CE2 TRP A 275 -2.303 -9.159 -4.846 1.00 0.29 C ATOM 406 CE3 TRP A 275 0.031 -8.519 -4.879 1.00 0.29 C ATOM 407 CZ2 TRP A 275 -2.431 -8.693 -3.537 1.00 0.35 C ATOM 408 CZ3 TRP A 275 -0.095 -8.049 -3.562 1.00 0.34 C ATOM 409 CH2 TRP A 275 -1.324 -8.136 -2.892 1.00 0.37 C ATOM 0 H TRP A 275 -0.438 -11.899 -6.147 1.00 0.37 H new ATOM 0 HA TRP A 275 1.292 -11.197 -8.500 1.00 0.36 H new ATOM 0 HB2 TRP A 275 0.268 -8.844 -8.130 1.00 0.31 H new ATOM 0 HB3 TRP A 275 -0.758 -10.030 -8.911 1.00 0.31 H new ATOM 0 HD1 TRP A 275 -3.026 -10.498 -7.799 1.00 0.28 H new ATOM 0 HE1 TRP A 275 -4.153 -9.944 -5.542 1.00 0.30 H new ATOM 0 HE3 TRP A 275 0.982 -8.447 -5.386 1.00 0.29 H new ATOM 0 HZ2 TRP A 275 -3.380 -8.762 -3.026 1.00 0.35 H new ATOM 0 HZ3 TRP A 275 0.760 -7.618 -3.062 1.00 0.34 H new ATOM 0 HH2 TRP A 275 -1.415 -7.773 -1.879 1.00 0.37 H new ATOM 420 N THR A 276 2.582 -9.456 -6.952 1.00 0.41 N ATOM 421 CA THR A 276 3.565 -8.896 -5.982 1.00 0.45 C ATOM 422 C THR A 276 3.401 -7.376 -5.919 1.00 0.48 C ATOM 423 O THR A 276 3.881 -6.654 -6.770 1.00 0.57 O ATOM 424 CB THR A 276 4.985 -9.238 -6.439 1.00 0.56 C ATOM 425 OG1 THR A 276 5.027 -10.589 -6.877 1.00 0.63 O ATOM 426 CG2 THR A 276 5.957 -9.046 -5.274 1.00 0.67 C ATOM 0 H THR A 276 2.645 -9.081 -7.898 1.00 0.41 H new ATOM 0 HA THR A 276 3.390 -9.324 -4.995 1.00 0.45 H new ATOM 0 HB THR A 276 5.272 -8.581 -7.260 1.00 0.56 H new ATOM 0 HG1 THR A 276 5.201 -10.615 -7.841 1.00 0.63 H new ATOM 0 HG21 THR A 276 6.968 -9.290 -5.600 1.00 0.67 H new ATOM 0 HG22 THR A 276 5.924 -8.009 -4.939 1.00 0.67 H new ATOM 0 HG23 THR A 276 5.673 -9.702 -4.451 1.00 0.67 H new ATOM 434 N VAL A 277 2.722 -6.884 -4.919 1.00 0.46 N ATOM 435 CA VAL A 277 2.525 -5.411 -4.806 1.00 0.54 C ATOM 436 C VAL A 277 3.782 -4.767 -4.219 1.00 0.42 C ATOM 437 O VAL A 277 4.317 -5.217 -3.225 1.00 0.60 O ATOM 438 CB VAL A 277 1.331 -5.124 -3.894 1.00 0.70 C ATOM 439 CG1 VAL A 277 1.324 -3.644 -3.508 1.00 0.89 C ATOM 440 CG2 VAL A 277 0.034 -5.462 -4.633 1.00 0.85 C ATOM 0 H VAL A 277 2.296 -7.438 -4.176 1.00 0.46 H new ATOM 0 HA VAL A 277 2.335 -4.995 -5.796 1.00 0.54 H new ATOM 0 HB VAL A 277 1.409 -5.733 -2.993 1.00 0.70 H new ATOM 0 HG11 VAL A 277 0.473 -3.441 -2.858 1.00 0.89 H new ATOM 0 HG12 VAL A 277 2.247 -3.401 -2.983 1.00 0.89 H new ATOM 0 HG13 VAL A 277 1.247 -3.034 -4.408 1.00 0.89 H new ATOM 0 HG21 VAL A 277 -0.818 -5.258 -3.984 1.00 0.85 H new ATOM 0 HG22 VAL A 277 -0.041 -4.852 -5.533 1.00 0.85 H new ATOM 0 HG23 VAL A 277 0.036 -6.517 -4.908 1.00 0.85 H new ATOM 450 N ASN A 278 4.254 -3.712 -4.825 1.00 0.30 N ATOM 451 CA ASN A 278 5.472 -3.032 -4.303 1.00 0.32 C ATOM 452 C ASN A 278 5.155 -1.558 -4.046 1.00 0.29 C ATOM 453 O ASN A 278 4.869 -0.807 -4.957 1.00 0.32 O ATOM 454 CB ASN A 278 6.598 -3.140 -5.334 1.00 0.48 C ATOM 455 CG ASN A 278 7.553 -4.265 -4.931 1.00 0.96 C ATOM 456 OD1 ASN A 278 7.338 -4.935 -3.941 1.00 1.74 O ATOM 457 ND2 ASN A 278 8.607 -4.503 -5.663 1.00 1.48 N ATOM 0 H ASN A 278 3.848 -3.291 -5.661 1.00 0.30 H new ATOM 0 HA ASN A 278 5.786 -3.506 -3.373 1.00 0.32 H new ATOM 0 HB2 ASN A 278 6.183 -3.338 -6.322 1.00 0.48 H new ATOM 0 HB3 ASN A 278 7.138 -2.196 -5.398 1.00 0.48 H new ATOM 0 HD21 ASN A 278 9.250 -5.251 -5.404 1.00 1.48 H new ATOM 0 HD22 ASN A 278 8.788 -3.941 -6.495 1.00 1.48 H new ATOM 464 N LEU A 279 5.198 -1.139 -2.810 1.00 0.34 N ATOM 465 CA LEU A 279 4.895 0.286 -2.496 1.00 0.33 C ATOM 466 C LEU A 279 6.186 1.106 -2.537 1.00 0.32 C ATOM 467 O LEU A 279 7.246 0.633 -2.179 1.00 0.45 O ATOM 468 CB LEU A 279 4.276 0.380 -1.100 1.00 0.34 C ATOM 469 CG LEU A 279 3.014 -0.482 -1.040 1.00 0.40 C ATOM 470 CD1 LEU A 279 2.225 -0.146 0.227 1.00 0.54 C ATOM 471 CD2 LEU A 279 2.146 -0.202 -2.269 1.00 0.55 C ATOM 0 H LEU A 279 5.430 -1.721 -2.005 1.00 0.34 H new ATOM 0 HA LEU A 279 4.194 0.678 -3.233 1.00 0.33 H new ATOM 0 HB2 LEU A 279 4.993 0.046 -0.350 1.00 0.34 H new ATOM 0 HB3 LEU A 279 4.032 1.417 -0.868 1.00 0.34 H new ATOM 0 HG LEU A 279 3.295 -1.535 -1.025 1.00 0.40 H new ATOM 0 HD11 LEU A 279 1.326 -0.761 0.269 1.00 0.54 H new ATOM 0 HD12 LEU A 279 2.842 -0.345 1.103 1.00 0.54 H new ATOM 0 HD13 LEU A 279 1.944 0.907 0.212 1.00 0.54 H new ATOM 0 HD21 LEU A 279 1.246 -0.816 -2.227 1.00 0.55 H new ATOM 0 HD22 LEU A 279 1.866 0.851 -2.284 1.00 0.55 H new ATOM 0 HD23 LEU A 279 2.707 -0.441 -3.173 1.00 0.55 H new ATOM 483 N ALA A 280 6.103 2.335 -2.968 1.00 0.32 N ATOM 484 CA ALA A 280 7.324 3.188 -3.029 1.00 0.34 C ATOM 485 C ALA A 280 7.012 4.564 -2.439 1.00 0.34 C ATOM 486 O ALA A 280 6.834 5.531 -3.153 1.00 0.38 O ATOM 487 CB ALA A 280 7.764 3.344 -4.486 1.00 0.37 C ATOM 0 H ALA A 280 5.243 2.785 -3.280 1.00 0.32 H new ATOM 0 HA ALA A 280 8.125 2.720 -2.457 1.00 0.34 H new ATOM 0 HB1 ALA A 280 8.657 3.968 -4.532 1.00 0.37 H new ATOM 0 HB2 ALA A 280 7.985 2.363 -4.906 1.00 0.37 H new ATOM 0 HB3 ALA A 280 6.964 3.813 -5.059 1.00 0.37 H new ATOM 493 N LEU A 281 6.943 4.661 -1.139 1.00 0.38 N ATOM 494 CA LEU A 281 6.641 5.974 -0.504 1.00 0.45 C ATOM 495 C LEU A 281 7.715 6.991 -0.893 1.00 0.51 C ATOM 496 O LEU A 281 8.741 6.645 -1.445 1.00 0.58 O ATOM 497 CB LEU A 281 6.621 5.812 1.018 1.00 0.54 C ATOM 498 CG LEU A 281 5.261 5.264 1.454 1.00 0.53 C ATOM 499 CD1 LEU A 281 5.306 4.911 2.941 1.00 0.85 C ATOM 500 CD2 LEU A 281 4.185 6.326 1.215 1.00 1.24 C ATOM 0 H LEU A 281 7.083 3.887 -0.490 1.00 0.38 H new ATOM 0 HA LEU A 281 5.668 6.326 -0.846 1.00 0.45 H new ATOM 0 HB2 LEU A 281 7.416 5.136 1.333 1.00 0.54 H new ATOM 0 HB3 LEU A 281 6.810 6.772 1.499 1.00 0.54 H new ATOM 0 HG LEU A 281 5.026 4.370 0.876 1.00 0.53 H new ATOM 0 HD11 LEU A 281 4.337 4.521 3.252 1.00 0.85 H new ATOM 0 HD12 LEU A 281 6.073 4.156 3.113 1.00 0.85 H new ATOM 0 HD13 LEU A 281 5.540 5.804 3.520 1.00 0.85 H new ATOM 0 HD21 LEU A 281 3.215 5.937 1.525 1.00 1.24 H new ATOM 0 HD22 LEU A 281 4.420 7.219 1.794 1.00 1.24 H new ATOM 0 HD23 LEU A 281 4.153 6.579 0.155 1.00 1.24 H new ATOM 512 N ASN A 282 7.488 8.244 -0.609 1.00 0.53 N ATOM 513 CA ASN A 282 8.495 9.284 -0.963 1.00 0.62 C ATOM 514 C ASN A 282 8.918 10.034 0.302 1.00 0.82 C ATOM 515 O ASN A 282 8.126 10.264 1.193 1.00 1.39 O ATOM 516 CB ASN A 282 7.881 10.269 -1.959 1.00 0.86 C ATOM 517 CG ASN A 282 6.978 9.513 -2.936 1.00 1.01 C ATOM 518 OD1 ASN A 282 7.454 8.904 -3.873 1.00 2.01 O ATOM 519 ND2 ASN A 282 5.686 9.527 -2.755 1.00 0.79 N ATOM 0 H ASN A 282 6.648 8.593 -0.147 1.00 0.53 H new ATOM 0 HA ASN A 282 9.367 8.809 -1.413 1.00 0.62 H new ATOM 0 HB2 ASN A 282 7.306 11.028 -1.428 1.00 0.86 H new ATOM 0 HB3 ASN A 282 8.668 10.790 -2.504 1.00 0.86 H new ATOM 0 HD21 ASN A 282 5.075 9.026 -3.400 1.00 0.79 H new ATOM 0 HD22 ASN A 282 5.287 10.039 -1.968 1.00 0.79 H new ATOM 526 N GLY A 283 10.163 10.418 0.387 1.00 0.76 N ATOM 527 CA GLY A 283 10.635 11.154 1.594 1.00 1.04 C ATOM 528 C GLY A 283 10.917 10.160 2.722 1.00 0.68 C ATOM 529 O GLY A 283 11.805 9.336 2.628 1.00 1.10 O ATOM 0 H GLY A 283 10.873 10.254 -0.327 1.00 0.76 H new ATOM 0 HA2 GLY A 283 11.537 11.718 1.359 1.00 1.04 H new ATOM 0 HA3 GLY A 283 9.881 11.875 1.911 1.00 1.04 H new ATOM 533 N SER A 284 10.168 10.231 3.788 1.00 0.73 N ATOM 534 CA SER A 284 10.395 9.290 4.921 1.00 0.93 C ATOM 535 C SER A 284 9.054 8.720 5.388 1.00 0.82 C ATOM 536 O SER A 284 8.935 8.204 6.482 1.00 0.96 O ATOM 537 CB SER A 284 11.061 10.036 6.078 1.00 1.55 C ATOM 538 OG SER A 284 11.830 11.114 5.560 1.00 1.90 O ATOM 0 H SER A 284 9.409 10.899 3.923 1.00 0.73 H new ATOM 0 HA SER A 284 11.041 8.476 4.592 1.00 0.93 H new ATOM 0 HB2 SER A 284 10.305 10.412 6.767 1.00 1.55 H new ATOM 0 HB3 SER A 284 11.699 9.358 6.644 1.00 1.55 H new ATOM 0 HG SER A 284 12.257 11.596 6.299 1.00 1.90 H new ATOM 544 N GLN A 285 8.043 8.808 4.568 1.00 0.68 N ATOM 545 CA GLN A 285 6.711 8.270 4.966 1.00 0.58 C ATOM 546 C GLN A 285 6.873 6.838 5.480 1.00 0.56 C ATOM 547 O GLN A 285 7.788 6.133 5.104 1.00 0.68 O ATOM 548 CB GLN A 285 5.776 8.275 3.755 1.00 0.60 C ATOM 549 CG GLN A 285 5.139 9.659 3.608 1.00 0.62 C ATOM 550 CD GLN A 285 4.381 9.734 2.282 1.00 0.70 C ATOM 551 OE1 GLN A 285 4.816 9.187 1.288 1.00 1.58 O ATOM 552 NE2 GLN A 285 3.256 10.393 2.224 1.00 0.93 N ATOM 0 H GLN A 285 8.081 9.229 3.640 1.00 0.68 H new ATOM 0 HA GLN A 285 6.288 8.893 5.754 1.00 0.58 H new ATOM 0 HB2 GLN A 285 6.331 8.021 2.852 1.00 0.60 H new ATOM 0 HB3 GLN A 285 5.002 7.518 3.877 1.00 0.60 H new ATOM 0 HG2 GLN A 285 4.459 9.848 4.439 1.00 0.62 H new ATOM 0 HG3 GLN A 285 5.908 10.431 3.643 1.00 0.62 H new ATOM 0 HE21 GLN A 285 2.890 10.852 3.058 1.00 0.93 H new ATOM 0 HE22 GLN A 285 2.742 10.449 1.345 1.00 0.93 H new ATOM 561 N THR A 286 5.990 6.402 6.337 1.00 0.48 N ATOM 562 CA THR A 286 6.095 5.016 6.873 1.00 0.50 C ATOM 563 C THR A 286 4.697 4.405 6.986 1.00 0.42 C ATOM 564 O THR A 286 3.700 5.096 6.915 1.00 0.49 O ATOM 565 CB THR A 286 6.749 5.052 8.256 1.00 0.57 C ATOM 566 OG1 THR A 286 5.884 5.712 9.170 1.00 0.59 O ATOM 567 CG2 THR A 286 8.078 5.804 8.175 1.00 0.64 C ATOM 0 H THR A 286 5.202 6.945 6.688 1.00 0.48 H new ATOM 0 HA THR A 286 6.702 4.411 6.199 1.00 0.50 H new ATOM 0 HB THR A 286 6.931 4.033 8.598 1.00 0.57 H new ATOM 0 HG1 THR A 286 6.301 5.734 10.057 1.00 0.59 H new ATOM 0 HG21 THR A 286 8.543 5.829 9.161 1.00 0.64 H new ATOM 0 HG22 THR A 286 8.741 5.297 7.474 1.00 0.64 H new ATOM 0 HG23 THR A 286 7.899 6.823 7.832 1.00 0.64 H new ATOM 575 N ILE A 287 4.615 3.115 7.162 1.00 0.45 N ATOM 576 CA ILE A 287 3.282 2.461 7.279 1.00 0.40 C ATOM 577 C ILE A 287 3.103 1.919 8.699 1.00 0.41 C ATOM 578 O ILE A 287 4.040 1.460 9.320 1.00 0.66 O ATOM 579 CB ILE A 287 3.189 1.309 6.278 1.00 0.58 C ATOM 580 CG1 ILE A 287 3.192 1.871 4.854 1.00 0.87 C ATOM 581 CG2 ILE A 287 1.894 0.529 6.514 1.00 0.60 C ATOM 582 CD1 ILE A 287 2.859 0.754 3.863 1.00 0.87 C ATOM 0 H ILE A 287 5.415 2.485 7.230 1.00 0.45 H new ATOM 0 HA ILE A 287 2.500 3.190 7.067 1.00 0.40 H new ATOM 0 HB ILE A 287 4.042 0.644 6.410 1.00 0.58 H new ATOM 0 HG12 ILE A 287 2.463 2.677 4.768 1.00 0.87 H new ATOM 0 HG13 ILE A 287 4.168 2.298 4.622 1.00 0.87 H new ATOM 0 HG21 ILE A 287 1.828 -0.292 5.800 1.00 0.60 H new ATOM 0 HG22 ILE A 287 1.890 0.129 7.528 1.00 0.60 H new ATOM 0 HG23 ILE A 287 1.040 1.193 6.382 1.00 0.60 H new ATOM 0 HD11 ILE A 287 2.861 1.154 2.849 1.00 0.87 H new ATOM 0 HD12 ILE A 287 3.605 -0.037 3.942 1.00 0.87 H new ATOM 0 HD13 ILE A 287 1.873 0.348 4.090 1.00 0.87 H new ATOM 594 N GLN A 288 1.907 1.969 9.217 1.00 0.39 N ATOM 595 CA GLN A 288 1.670 1.457 10.596 1.00 0.59 C ATOM 596 C GLN A 288 0.425 0.568 10.605 1.00 0.44 C ATOM 597 O GLN A 288 -0.037 0.141 11.645 1.00 0.57 O ATOM 598 CB GLN A 288 1.461 2.636 11.549 1.00 0.93 C ATOM 599 CG GLN A 288 2.419 2.511 12.736 1.00 1.42 C ATOM 600 CD GLN A 288 1.644 2.702 14.040 1.00 1.96 C ATOM 601 OE1 GLN A 288 0.970 1.800 14.498 1.00 2.47 O ATOM 602 NE2 GLN A 288 1.711 3.846 14.664 1.00 2.71 N ATOM 0 H GLN A 288 1.083 2.342 8.745 1.00 0.39 H new ATOM 0 HA GLN A 288 2.533 0.876 10.920 1.00 0.59 H new ATOM 0 HB2 GLN A 288 1.635 3.576 11.025 1.00 0.93 H new ATOM 0 HB3 GLN A 288 0.430 2.654 11.901 1.00 0.93 H new ATOM 0 HG2 GLN A 288 2.901 1.533 12.727 1.00 1.42 H new ATOM 0 HG3 GLN A 288 3.210 3.257 12.658 1.00 1.42 H new ATOM 0 HE21 GLN A 288 2.276 4.604 14.281 1.00 2.71 H new ATOM 0 HE22 GLN A 288 1.198 3.983 15.535 1.00 2.71 H new ATOM 611 N ALA A 289 -0.122 0.284 9.455 1.00 0.39 N ATOM 612 CA ALA A 289 -1.336 -0.577 9.400 1.00 0.39 C ATOM 613 C ALA A 289 -1.371 -1.325 8.065 1.00 0.32 C ATOM 614 O ALA A 289 -0.842 -0.867 7.072 1.00 0.34 O ATOM 615 CB ALA A 289 -2.586 0.295 9.529 1.00 0.57 C ATOM 0 H ALA A 289 0.220 0.611 8.551 1.00 0.39 H new ATOM 0 HA ALA A 289 -1.309 -1.296 10.219 1.00 0.39 H new ATOM 0 HB1 ALA A 289 -3.475 -0.335 9.489 1.00 0.57 H new ATOM 0 HB2 ALA A 289 -2.561 0.828 10.480 1.00 0.57 H new ATOM 0 HB3 ALA A 289 -2.614 1.014 8.711 1.00 0.57 H new ATOM 621 N SER A 290 -1.992 -2.473 8.034 1.00 0.33 N ATOM 622 CA SER A 290 -2.060 -3.248 6.764 1.00 0.29 C ATOM 623 C SER A 290 -3.061 -4.395 6.920 1.00 0.29 C ATOM 624 O SER A 290 -2.919 -5.242 7.780 1.00 0.43 O ATOM 625 CB SER A 290 -0.679 -3.818 6.439 1.00 0.35 C ATOM 626 OG SER A 290 -0.125 -4.403 7.610 1.00 1.11 O ATOM 0 H SER A 290 -2.455 -2.907 8.833 1.00 0.33 H new ATOM 0 HA SER A 290 -2.381 -2.592 5.955 1.00 0.29 H new ATOM 0 HB2 SER A 290 -0.758 -4.564 5.648 1.00 0.35 H new ATOM 0 HB3 SER A 290 -0.025 -3.029 6.069 1.00 0.35 H new ATOM 0 HG SER A 290 -0.817 -4.914 8.079 1.00 1.11 H new ATOM 632 N TRP A 291 -4.071 -4.430 6.096 1.00 0.26 N ATOM 633 CA TRP A 291 -5.079 -5.523 6.198 1.00 0.28 C ATOM 634 C TRP A 291 -5.296 -6.148 4.818 1.00 0.26 C ATOM 635 O TRP A 291 -5.260 -5.474 3.808 1.00 0.27 O ATOM 636 CB TRP A 291 -6.402 -4.951 6.713 1.00 0.33 C ATOM 637 CG TRP A 291 -6.765 -3.740 5.915 1.00 0.33 C ATOM 638 CD1 TRP A 291 -7.471 -3.753 4.761 1.00 0.35 C ATOM 639 CD2 TRP A 291 -6.454 -2.343 6.189 1.00 0.36 C ATOM 640 NE1 TRP A 291 -7.614 -2.453 4.310 1.00 0.38 N ATOM 641 CE2 TRP A 291 -7.004 -1.548 5.156 1.00 0.40 C ATOM 642 CE3 TRP A 291 -5.755 -1.695 7.223 1.00 0.41 C ATOM 643 CZ2 TRP A 291 -6.865 -0.159 5.149 1.00 0.48 C ATOM 644 CZ3 TRP A 291 -5.614 -0.297 7.220 1.00 0.49 C ATOM 645 CH2 TRP A 291 -6.168 0.469 6.184 1.00 0.52 C ATOM 0 H TRP A 291 -4.242 -3.749 5.356 1.00 0.26 H new ATOM 0 HA TRP A 291 -4.719 -6.285 6.889 1.00 0.28 H new ATOM 0 HB2 TRP A 291 -7.190 -5.701 6.635 1.00 0.33 H new ATOM 0 HB3 TRP A 291 -6.312 -4.691 7.768 1.00 0.33 H new ATOM 0 HD1 TRP A 291 -7.859 -4.634 4.272 1.00 0.35 H new ATOM 0 HE1 TRP A 291 -8.110 -2.195 3.457 1.00 0.38 H new ATOM 0 HE3 TRP A 291 -5.324 -2.276 8.025 1.00 0.41 H new ATOM 0 HZ2 TRP A 291 -7.293 0.426 4.349 1.00 0.48 H new ATOM 0 HZ3 TRP A 291 -5.076 0.190 8.020 1.00 0.49 H new ATOM 0 HH2 TRP A 291 -6.056 1.543 6.186 1.00 0.52 H new ATOM 656 N ASN A 292 -5.521 -7.432 4.767 1.00 0.27 N ATOM 657 CA ASN A 292 -5.740 -8.099 3.453 1.00 0.29 C ATOM 658 C ASN A 292 -4.401 -8.247 2.727 1.00 0.28 C ATOM 659 O ASN A 292 -4.352 -8.534 1.548 1.00 0.33 O ATOM 660 CB ASN A 292 -6.689 -7.251 2.603 1.00 0.31 C ATOM 661 CG ASN A 292 -7.883 -8.102 2.167 1.00 0.73 C ATOM 662 OD1 ASN A 292 -7.911 -8.613 1.065 1.00 1.49 O ATOM 663 ND2 ASN A 292 -8.879 -8.279 2.992 1.00 1.39 N ATOM 0 H ASN A 292 -5.563 -8.048 5.579 1.00 0.27 H new ATOM 0 HA ASN A 292 -6.177 -9.084 3.614 1.00 0.29 H new ATOM 0 HB2 ASN A 292 -7.033 -6.389 3.174 1.00 0.31 H new ATOM 0 HB3 ASN A 292 -6.165 -6.866 1.728 1.00 0.31 H new ATOM 0 HD21 ASN A 292 -9.679 -8.846 2.711 1.00 1.39 H new ATOM 0 HD22 ASN A 292 -8.857 -7.851 3.917 1.00 1.39 H new ATOM 670 N ALA A 293 -3.314 -8.055 3.424 1.00 0.30 N ATOM 671 CA ALA A 293 -1.980 -8.185 2.774 1.00 0.34 C ATOM 672 C ALA A 293 -0.884 -7.858 3.790 1.00 0.36 C ATOM 673 O ALA A 293 -1.078 -7.070 4.695 1.00 0.45 O ATOM 674 CB ALA A 293 -1.890 -7.214 1.595 1.00 0.38 C ATOM 0 H ALA A 293 -3.293 -7.814 4.415 1.00 0.30 H new ATOM 0 HA ALA A 293 -1.849 -9.205 2.414 1.00 0.34 H new ATOM 0 HB1 ALA A 293 -0.914 -7.309 1.119 1.00 0.38 H new ATOM 0 HB2 ALA A 293 -2.671 -7.447 0.871 1.00 0.38 H new ATOM 0 HB3 ALA A 293 -2.021 -6.193 1.954 1.00 0.38 H new ATOM 680 N ASN A 294 0.267 -8.455 3.648 1.00 0.41 N ATOM 681 CA ASN A 294 1.374 -8.177 4.606 1.00 0.47 C ATOM 682 C ASN A 294 2.368 -7.204 3.970 1.00 0.47 C ATOM 683 O ASN A 294 2.974 -7.494 2.958 1.00 0.75 O ATOM 684 CB ASN A 294 2.090 -9.485 4.951 1.00 0.56 C ATOM 685 CG ASN A 294 1.092 -10.467 5.567 1.00 0.69 C ATOM 686 OD1 ASN A 294 0.944 -11.648 5.033 1.00 1.06 O flip ATOM 687 ND2 ASN A 294 0.441 -10.156 6.545 1.00 0.92 N flip ATOM 0 H ASN A 294 0.489 -9.123 2.910 1.00 0.41 H new ATOM 0 HA ASN A 294 0.965 -7.735 5.515 1.00 0.47 H new ATOM 0 HB2 ASN A 294 2.534 -9.916 4.054 1.00 0.56 H new ATOM 0 HB3 ASN A 294 2.905 -9.293 5.649 1.00 0.56 H new ATOM 0 HD21 ASN A 294 0.557 -9.233 6.962 1.00 0.92 H new ATOM 0 HD22 ASN A 294 -0.221 -10.818 6.949 1.00 0.92 H new ATOM 694 N VAL A 295 2.540 -6.050 4.555 1.00 0.52 N ATOM 695 CA VAL A 295 3.495 -5.060 3.983 1.00 0.54 C ATOM 696 C VAL A 295 4.799 -5.088 4.783 1.00 0.62 C ATOM 697 O VAL A 295 4.913 -4.470 5.823 1.00 0.77 O ATOM 698 CB VAL A 295 2.883 -3.660 4.055 1.00 0.62 C ATOM 699 CG1 VAL A 295 3.831 -2.653 3.403 1.00 0.74 C ATOM 700 CG2 VAL A 295 1.544 -3.652 3.314 1.00 0.60 C ATOM 0 H VAL A 295 2.060 -5.750 5.404 1.00 0.52 H new ATOM 0 HA VAL A 295 3.701 -5.313 2.943 1.00 0.54 H new ATOM 0 HB VAL A 295 2.725 -3.386 5.098 1.00 0.62 H new ATOM 0 HG11 VAL A 295 3.394 -1.656 3.455 1.00 0.74 H new ATOM 0 HG12 VAL A 295 4.786 -2.659 3.929 1.00 0.74 H new ATOM 0 HG13 VAL A 295 3.990 -2.926 2.360 1.00 0.74 H new ATOM 0 HG21 VAL A 295 1.106 -2.655 3.364 1.00 0.60 H new ATOM 0 HG22 VAL A 295 1.704 -3.926 2.271 1.00 0.60 H new ATOM 0 HG23 VAL A 295 0.867 -4.369 3.778 1.00 0.60 H new ATOM 710 N THR A 296 5.783 -5.800 4.307 1.00 0.63 N ATOM 711 CA THR A 296 7.078 -5.867 5.042 1.00 0.75 C ATOM 712 C THR A 296 8.223 -5.521 4.089 1.00 0.86 C ATOM 713 O THR A 296 8.090 -5.610 2.884 1.00 1.07 O ATOM 714 CB THR A 296 7.280 -7.281 5.592 1.00 0.98 C ATOM 715 OG1 THR A 296 7.118 -8.223 4.541 1.00 1.18 O ATOM 716 CG2 THR A 296 6.252 -7.555 6.690 1.00 1.28 C ATOM 0 H THR A 296 5.747 -6.338 3.441 1.00 0.63 H new ATOM 0 HA THR A 296 7.065 -5.155 5.867 1.00 0.75 H new ATOM 0 HB THR A 296 8.283 -7.370 6.008 1.00 0.98 H new ATOM 0 HG1 THR A 296 7.249 -9.129 4.891 1.00 1.18 H new ATOM 0 HG21 THR A 296 6.397 -8.562 7.081 1.00 1.28 H new ATOM 0 HG22 THR A 296 6.378 -6.832 7.495 1.00 1.28 H new ATOM 0 HG23 THR A 296 5.247 -7.467 6.278 1.00 1.28 H new ATOM 724 N GLY A 297 9.350 -5.128 4.617 1.00 1.01 N ATOM 725 CA GLY A 297 10.503 -4.778 3.740 1.00 1.32 C ATOM 726 C GLY A 297 11.360 -3.711 4.423 1.00 1.21 C ATOM 727 O GLY A 297 11.130 -3.350 5.560 1.00 1.65 O ATOM 0 H GLY A 297 9.522 -5.034 5.618 1.00 1.01 H new ATOM 0 HA2 GLY A 297 11.102 -5.666 3.538 1.00 1.32 H new ATOM 0 HA3 GLY A 297 10.144 -4.410 2.779 1.00 1.32 H new ATOM 731 N SER A 298 12.348 -3.202 3.739 1.00 1.51 N ATOM 732 CA SER A 298 13.218 -2.159 4.350 1.00 1.97 C ATOM 733 C SER A 298 13.760 -1.240 3.253 1.00 2.05 C ATOM 734 O SER A 298 13.717 -1.563 2.082 1.00 2.56 O ATOM 735 CB SER A 298 14.386 -2.830 5.074 1.00 2.81 C ATOM 736 OG SER A 298 14.137 -4.226 5.173 1.00 3.47 O ATOM 0 H SER A 298 12.590 -3.464 2.783 1.00 1.51 H new ATOM 0 HA SER A 298 12.637 -1.573 5.062 1.00 1.97 H new ATOM 0 HB2 SER A 298 15.315 -2.652 4.533 1.00 2.81 H new ATOM 0 HB3 SER A 298 14.509 -2.399 6.068 1.00 2.81 H new ATOM 0 HG SER A 298 14.884 -4.660 5.635 1.00 3.47 H new ATOM 742 N GLY A 299 14.269 -0.096 3.621 1.00 2.27 N ATOM 743 CA GLY A 299 14.812 0.842 2.599 1.00 2.62 C ATOM 744 C GLY A 299 13.715 1.814 2.162 1.00 2.21 C ATOM 745 O GLY A 299 12.796 2.102 2.903 1.00 2.74 O ATOM 0 H GLY A 299 14.332 0.229 4.586 1.00 2.27 H new ATOM 0 HA2 GLY A 299 15.658 1.393 3.009 1.00 2.62 H new ATOM 0 HA3 GLY A 299 15.182 0.284 1.739 1.00 2.62 H new ATOM 749 N SER A 300 13.802 2.321 0.963 1.00 1.80 N ATOM 750 CA SER A 300 12.763 3.274 0.480 1.00 1.49 C ATOM 751 C SER A 300 11.667 2.503 -0.258 1.00 1.21 C ATOM 752 O SER A 300 10.802 3.082 -0.886 1.00 1.44 O ATOM 753 CB SER A 300 13.402 4.287 -0.471 1.00 1.63 C ATOM 754 OG SER A 300 14.419 5.001 0.219 1.00 2.10 O ATOM 0 H SER A 300 14.547 2.117 0.297 1.00 1.80 H new ATOM 0 HA SER A 300 12.328 3.799 1.331 1.00 1.49 H new ATOM 0 HB2 SER A 300 13.824 3.775 -1.336 1.00 1.63 H new ATOM 0 HB3 SER A 300 12.647 4.978 -0.846 1.00 1.63 H new ATOM 0 HG SER A 300 14.832 5.650 -0.388 1.00 2.10 H new ATOM 760 N THR A 301 11.695 1.200 -0.188 1.00 1.05 N ATOM 761 CA THR A 301 10.654 0.394 -0.886 1.00 0.82 C ATOM 762 C THR A 301 10.013 -0.579 0.106 1.00 0.79 C ATOM 763 O THR A 301 10.562 -0.866 1.151 1.00 1.03 O ATOM 764 CB THR A 301 11.299 -0.393 -2.029 1.00 0.94 C ATOM 765 OG1 THR A 301 12.580 -0.854 -1.620 1.00 1.24 O ATOM 766 CG2 THR A 301 11.447 0.511 -3.254 1.00 0.99 C ATOM 0 H THR A 301 12.393 0.659 0.322 1.00 1.05 H new ATOM 0 HA THR A 301 9.890 1.058 -1.289 1.00 0.82 H new ATOM 0 HB THR A 301 10.670 -1.246 -2.284 1.00 0.94 H new ATOM 0 HG1 THR A 301 12.994 -1.360 -2.350 1.00 1.24 H new ATOM 0 HG21 THR A 301 11.907 -0.051 -4.067 1.00 0.99 H new ATOM 0 HG22 THR A 301 10.464 0.864 -3.567 1.00 0.99 H new ATOM 0 HG23 THR A 301 12.076 1.365 -3.002 1.00 0.99 H new ATOM 774 N ARG A 302 8.855 -1.090 -0.214 1.00 0.68 N ATOM 775 CA ARG A 302 8.181 -2.044 0.711 1.00 0.70 C ATOM 776 C ARG A 302 7.598 -3.208 -0.093 1.00 0.67 C ATOM 777 O ARG A 302 6.884 -3.013 -1.056 1.00 0.87 O ATOM 778 CB ARG A 302 7.055 -1.323 1.456 1.00 0.83 C ATOM 779 CG ARG A 302 7.640 -0.539 2.632 1.00 0.78 C ATOM 780 CD ARG A 302 7.179 -1.171 3.947 1.00 1.15 C ATOM 781 NE ARG A 302 6.940 -0.100 4.956 1.00 1.04 N ATOM 782 CZ ARG A 302 7.824 0.125 5.889 1.00 1.51 C ATOM 783 NH1 ARG A 302 8.907 0.799 5.614 1.00 2.06 N ATOM 784 NH2 ARG A 302 7.624 -0.323 7.099 1.00 2.26 N ATOM 0 H ARG A 302 8.347 -0.888 -1.075 1.00 0.68 H new ATOM 0 HA ARG A 302 8.905 -2.426 1.430 1.00 0.70 H new ATOM 0 HB2 ARG A 302 6.532 -0.647 0.779 1.00 0.83 H new ATOM 0 HB3 ARG A 302 6.322 -2.045 1.816 1.00 0.83 H new ATOM 0 HG2 ARG A 302 8.729 -0.540 2.578 1.00 0.78 H new ATOM 0 HG3 ARG A 302 7.319 0.502 2.584 1.00 0.78 H new ATOM 0 HD2 ARG A 302 6.266 -1.745 3.787 1.00 1.15 H new ATOM 0 HD3 ARG A 302 7.933 -1.868 4.312 1.00 1.15 H new ATOM 0 HE ARG A 302 6.086 0.457 4.917 1.00 1.04 H new ATOM 0 HH11 ARG A 302 9.063 1.150 4.669 1.00 2.06 H new ATOM 0 HH12 ARG A 302 9.598 0.975 6.344 1.00 2.06 H new ATOM 0 HH21 ARG A 302 6.777 -0.849 7.315 1.00 2.26 H new ATOM 0 HH22 ARG A 302 8.315 -0.147 7.829 1.00 2.26 H new ATOM 798 N THR A 303 7.895 -4.417 0.296 1.00 0.69 N ATOM 799 CA THR A 303 7.357 -5.592 -0.446 1.00 0.66 C ATOM 800 C THR A 303 5.972 -5.948 0.097 1.00 0.61 C ATOM 801 O THR A 303 5.713 -5.841 1.280 1.00 0.75 O ATOM 802 CB THR A 303 8.299 -6.785 -0.266 1.00 0.71 C ATOM 803 OG1 THR A 303 9.645 -6.346 -0.382 1.00 0.82 O ATOM 804 CG2 THR A 303 8.007 -7.835 -1.339 1.00 0.73 C ATOM 0 H THR A 303 8.487 -4.642 1.096 1.00 0.69 H new ATOM 0 HA THR A 303 7.279 -5.348 -1.505 1.00 0.66 H new ATOM 0 HB THR A 303 8.145 -7.225 0.719 1.00 0.71 H new ATOM 0 HG1 THR A 303 10.249 -7.109 -0.265 1.00 0.82 H new ATOM 0 HG21 THR A 303 8.678 -8.684 -1.210 1.00 0.73 H new ATOM 0 HG22 THR A 303 6.974 -8.172 -1.247 1.00 0.73 H new ATOM 0 HG23 THR A 303 8.160 -7.399 -2.326 1.00 0.73 H new ATOM 812 N VAL A 304 5.080 -6.371 -0.756 1.00 0.48 N ATOM 813 CA VAL A 304 3.713 -6.734 -0.286 1.00 0.45 C ATOM 814 C VAL A 304 3.296 -8.066 -0.912 1.00 0.45 C ATOM 815 O VAL A 304 3.485 -8.296 -2.090 1.00 0.56 O ATOM 816 CB VAL A 304 2.725 -5.643 -0.703 1.00 0.46 C ATOM 817 CG1 VAL A 304 1.303 -6.079 -0.349 1.00 0.45 C ATOM 818 CG2 VAL A 304 3.058 -4.345 0.036 1.00 0.52 C ATOM 0 H VAL A 304 5.238 -6.481 -1.758 1.00 0.48 H new ATOM 0 HA VAL A 304 3.714 -6.828 0.800 1.00 0.45 H new ATOM 0 HB VAL A 304 2.798 -5.479 -1.778 1.00 0.46 H new ATOM 0 HG11 VAL A 304 0.599 -5.301 -0.646 1.00 0.45 H new ATOM 0 HG12 VAL A 304 1.065 -7.004 -0.874 1.00 0.45 H new ATOM 0 HG13 VAL A 304 1.230 -6.243 0.726 1.00 0.45 H new ATOM 0 HG21 VAL A 304 2.355 -3.567 -0.260 1.00 0.52 H new ATOM 0 HG22 VAL A 304 2.985 -4.509 1.111 1.00 0.52 H new ATOM 0 HG23 VAL A 304 4.072 -4.033 -0.216 1.00 0.52 H new ATOM 828 N THR A 305 2.729 -8.946 -0.133 1.00 0.46 N ATOM 829 CA THR A 305 2.300 -10.263 -0.684 1.00 0.49 C ATOM 830 C THR A 305 0.945 -10.649 -0.086 1.00 0.52 C ATOM 831 O THR A 305 0.576 -10.177 0.971 1.00 0.55 O ATOM 832 CB THR A 305 3.339 -11.328 -0.326 1.00 0.56 C ATOM 833 OG1 THR A 305 3.488 -11.385 1.086 1.00 0.65 O ATOM 834 CG2 THR A 305 4.680 -10.973 -0.969 1.00 0.73 C ATOM 0 H THR A 305 2.544 -8.810 0.861 1.00 0.46 H new ATOM 0 HA THR A 305 2.211 -10.193 -1.768 1.00 0.49 H new ATOM 0 HB THR A 305 3.008 -12.298 -0.697 1.00 0.56 H new ATOM 0 HG1 THR A 305 4.152 -12.068 1.318 1.00 0.65 H new ATOM 0 HG21 THR A 305 5.419 -11.733 -0.713 1.00 0.73 H new ATOM 0 HG22 THR A 305 4.564 -10.930 -2.052 1.00 0.73 H new ATOM 0 HG23 THR A 305 5.014 -10.003 -0.601 1.00 0.73 H new ATOM 842 N PRO A 306 0.247 -11.501 -0.788 1.00 0.56 N ATOM 843 CA PRO A 306 -1.079 -11.985 -0.365 1.00 0.65 C ATOM 844 C PRO A 306 -0.936 -13.055 0.721 1.00 0.71 C ATOM 845 O PRO A 306 0.063 -13.741 0.802 1.00 0.81 O ATOM 846 CB PRO A 306 -1.667 -12.581 -1.647 1.00 0.72 C ATOM 847 CG PRO A 306 -0.466 -12.918 -2.563 1.00 0.69 C ATOM 848 CD PRO A 306 0.716 -12.062 -2.070 1.00 0.59 C ATOM 0 HA PRO A 306 -1.706 -11.203 0.062 1.00 0.65 H new ATOM 0 HB2 PRO A 306 -2.251 -13.475 -1.427 1.00 0.72 H new ATOM 0 HB3 PRO A 306 -2.339 -11.873 -2.132 1.00 0.72 H new ATOM 0 HG2 PRO A 306 -0.224 -13.980 -2.510 1.00 0.69 H new ATOM 0 HG3 PRO A 306 -0.698 -12.695 -3.604 1.00 0.69 H new ATOM 0 HD2 PRO A 306 1.615 -12.664 -1.936 1.00 0.59 H new ATOM 0 HD3 PRO A 306 0.962 -11.275 -2.783 1.00 0.59 H new ATOM 856 N ASN A 307 -1.928 -13.203 1.556 1.00 0.74 N ATOM 857 CA ASN A 307 -1.848 -14.228 2.634 1.00 0.85 C ATOM 858 C ASN A 307 -3.022 -15.201 2.502 1.00 0.96 C ATOM 859 O ASN A 307 -3.350 -15.921 3.423 1.00 1.16 O ATOM 860 CB ASN A 307 -1.908 -13.539 3.999 1.00 0.88 C ATOM 861 CG ASN A 307 -3.197 -12.721 4.102 1.00 0.94 C ATOM 862 OD1 ASN A 307 -3.314 -11.672 3.502 1.00 1.15 O ATOM 863 ND2 ASN A 307 -4.176 -13.161 4.844 1.00 1.30 N ATOM 0 H ASN A 307 -2.790 -12.658 1.538 1.00 0.74 H new ATOM 0 HA ASN A 307 -0.910 -14.776 2.544 1.00 0.85 H new ATOM 0 HB2 ASN A 307 -1.872 -14.282 4.795 1.00 0.88 H new ATOM 0 HB3 ASN A 307 -1.042 -12.890 4.129 1.00 0.88 H new ATOM 0 HD21 ASN A 307 -5.040 -12.624 4.920 1.00 1.30 H new ATOM 0 HD22 ASN A 307 -4.078 -14.042 5.348 1.00 1.30 H new ATOM 870 N GLY A 308 -3.657 -15.227 1.362 1.00 1.09 N ATOM 871 CA GLY A 308 -4.809 -16.153 1.172 1.00 1.29 C ATOM 872 C GLY A 308 -6.087 -15.494 1.693 1.00 1.18 C ATOM 873 O GLY A 308 -6.885 -16.112 2.370 1.00 1.58 O ATOM 0 H GLY A 308 -3.428 -14.647 0.555 1.00 1.09 H new ATOM 0 HA2 GLY A 308 -4.920 -16.400 0.116 1.00 1.29 H new ATOM 0 HA3 GLY A 308 -4.628 -17.088 1.701 1.00 1.29 H new ATOM 877 N SER A 309 -6.289 -14.242 1.383 1.00 0.92 N ATOM 878 CA SER A 309 -7.516 -13.545 1.861 1.00 1.07 C ATOM 879 C SER A 309 -8.249 -12.928 0.669 1.00 0.95 C ATOM 880 O SER A 309 -9.441 -13.096 0.506 1.00 1.40 O ATOM 881 CB SER A 309 -7.124 -12.442 2.845 1.00 1.42 C ATOM 882 OG SER A 309 -8.059 -12.416 3.916 1.00 2.17 O ATOM 0 H SER A 309 -5.658 -13.672 0.820 1.00 0.92 H new ATOM 0 HA SER A 309 -8.170 -14.261 2.359 1.00 1.07 H new ATOM 0 HB2 SER A 309 -6.119 -12.620 3.228 1.00 1.42 H new ATOM 0 HB3 SER A 309 -7.106 -11.477 2.339 1.00 1.42 H new ATOM 0 HG SER A 309 -7.810 -11.711 4.550 1.00 2.17 H new ATOM 888 N GLY A 310 -7.546 -12.214 -0.167 1.00 0.90 N ATOM 889 CA GLY A 310 -8.204 -11.587 -1.348 1.00 1.22 C ATOM 890 C GLY A 310 -7.173 -10.783 -2.142 1.00 0.89 C ATOM 891 O GLY A 310 -5.981 -10.921 -1.948 1.00 1.02 O ATOM 0 H GLY A 310 -6.545 -12.038 -0.083 1.00 0.90 H new ATOM 0 HA2 GLY A 310 -8.647 -12.356 -1.981 1.00 1.22 H new ATOM 0 HA3 GLY A 310 -9.015 -10.936 -1.022 1.00 1.22 H new ATOM 895 N ASN A 311 -7.621 -9.942 -3.034 1.00 0.68 N ATOM 896 CA ASN A 311 -6.665 -9.131 -3.839 1.00 0.44 C ATOM 897 C ASN A 311 -6.858 -7.648 -3.516 1.00 0.43 C ATOM 898 O ASN A 311 -6.317 -6.783 -4.177 1.00 0.62 O ATOM 899 CB ASN A 311 -6.924 -9.366 -5.329 1.00 0.56 C ATOM 900 CG ASN A 311 -7.255 -10.841 -5.563 1.00 0.57 C ATOM 901 OD1 ASN A 311 -6.946 -11.683 -4.743 1.00 0.92 O ATOM 902 ND2 ASN A 311 -7.875 -11.192 -6.656 1.00 1.12 N ATOM 0 H ASN A 311 -8.607 -9.782 -3.240 1.00 0.68 H new ATOM 0 HA ASN A 311 -5.644 -9.427 -3.597 1.00 0.44 H new ATOM 0 HB2 ASN A 311 -7.748 -8.739 -5.669 1.00 0.56 H new ATOM 0 HB3 ASN A 311 -6.047 -9.082 -5.911 1.00 0.56 H new ATOM 0 HD21 ASN A 311 -8.100 -12.173 -6.822 1.00 1.12 H new ATOM 0 HD22 ASN A 311 -8.135 -10.486 -7.344 1.00 1.12 H new ATOM 909 N THR A 312 -7.624 -7.346 -2.504 1.00 0.36 N ATOM 910 CA THR A 312 -7.851 -5.919 -2.140 1.00 0.38 C ATOM 911 C THR A 312 -7.381 -5.678 -0.704 1.00 0.39 C ATOM 912 O THR A 312 -7.986 -6.141 0.243 1.00 0.68 O ATOM 913 CB THR A 312 -9.342 -5.594 -2.251 1.00 0.43 C ATOM 914 OG1 THR A 312 -9.825 -6.022 -3.516 1.00 0.55 O ATOM 915 CG2 THR A 312 -9.551 -4.086 -2.105 1.00 0.54 C ATOM 0 H THR A 312 -8.103 -8.026 -1.913 1.00 0.36 H new ATOM 0 HA THR A 312 -7.289 -5.277 -2.819 1.00 0.38 H new ATOM 0 HB THR A 312 -9.886 -6.110 -1.460 1.00 0.43 H new ATOM 0 HG1 THR A 312 -10.780 -5.816 -3.588 1.00 0.55 H new ATOM 0 HG21 THR A 312 -10.614 -3.857 -2.184 1.00 0.54 H new ATOM 0 HG22 THR A 312 -9.181 -3.760 -1.133 1.00 0.54 H new ATOM 0 HG23 THR A 312 -9.008 -3.565 -2.893 1.00 0.54 H new ATOM 923 N PHE A 313 -6.307 -4.957 -0.534 1.00 0.32 N ATOM 924 CA PHE A 313 -5.801 -4.687 0.841 1.00 0.30 C ATOM 925 C PHE A 313 -5.619 -3.180 1.031 1.00 0.30 C ATOM 926 O PHE A 313 -5.529 -2.431 0.079 1.00 0.36 O ATOM 927 CB PHE A 313 -4.456 -5.392 1.036 1.00 0.32 C ATOM 928 CG PHE A 313 -3.440 -4.809 0.084 1.00 0.30 C ATOM 929 CD1 PHE A 313 -3.412 -5.228 -1.252 1.00 1.17 C ATOM 930 CD2 PHE A 313 -2.526 -3.850 0.536 1.00 1.32 C ATOM 931 CE1 PHE A 313 -2.470 -4.687 -2.135 1.00 1.18 C ATOM 932 CE2 PHE A 313 -1.583 -3.310 -0.347 1.00 1.33 C ATOM 933 CZ PHE A 313 -1.555 -3.729 -1.682 1.00 0.39 C ATOM 0 H PHE A 313 -5.758 -4.543 -1.288 1.00 0.32 H new ATOM 0 HA PHE A 313 -6.518 -5.061 1.572 1.00 0.30 H new ATOM 0 HB2 PHE A 313 -4.117 -5.273 2.065 1.00 0.32 H new ATOM 0 HB3 PHE A 313 -4.565 -6.462 0.858 1.00 0.32 H new ATOM 0 HD1 PHE A 313 -4.117 -5.968 -1.601 1.00 1.17 H new ATOM 0 HD2 PHE A 313 -2.548 -3.526 1.566 1.00 1.32 H new ATOM 0 HE1 PHE A 313 -2.449 -5.009 -3.166 1.00 1.18 H new ATOM 0 HE2 PHE A 313 -0.878 -2.570 0.002 1.00 1.33 H new ATOM 0 HZ PHE A 313 -0.827 -3.313 -2.363 1.00 0.39 H new ATOM 943 N GLY A 314 -5.563 -2.729 2.254 1.00 0.27 N ATOM 944 CA GLY A 314 -5.387 -1.270 2.504 1.00 0.29 C ATOM 945 C GLY A 314 -4.161 -1.047 3.390 1.00 0.25 C ATOM 946 O GLY A 314 -3.731 -1.930 4.105 1.00 0.32 O ATOM 0 H GLY A 314 -5.631 -3.308 3.091 1.00 0.27 H new ATOM 0 HA2 GLY A 314 -5.267 -0.741 1.559 1.00 0.29 H new ATOM 0 HA3 GLY A 314 -6.276 -0.863 2.986 1.00 0.29 H new ATOM 950 N VAL A 315 -3.595 0.128 3.350 1.00 0.25 N ATOM 951 CA VAL A 315 -2.397 0.406 4.192 1.00 0.24 C ATOM 952 C VAL A 315 -2.507 1.812 4.785 1.00 0.25 C ATOM 953 O VAL A 315 -3.077 2.705 4.190 1.00 0.34 O ATOM 954 CB VAL A 315 -1.136 0.314 3.330 1.00 0.26 C ATOM 955 CG1 VAL A 315 -1.090 -1.048 2.637 1.00 0.34 C ATOM 956 CG2 VAL A 315 -1.159 1.422 2.275 1.00 0.28 C ATOM 0 H VAL A 315 -3.910 0.907 2.771 1.00 0.25 H new ATOM 0 HA VAL A 315 -2.341 -0.326 4.998 1.00 0.24 H new ATOM 0 HB VAL A 315 -0.255 0.430 3.961 1.00 0.26 H new ATOM 0 HG11 VAL A 315 -0.192 -1.114 2.023 1.00 0.34 H new ATOM 0 HG12 VAL A 315 -1.075 -1.838 3.388 1.00 0.34 H new ATOM 0 HG13 VAL A 315 -1.971 -1.165 2.005 1.00 0.34 H new ATOM 0 HG21 VAL A 315 -0.261 1.358 1.660 1.00 0.28 H new ATOM 0 HG22 VAL A 315 -2.040 1.305 1.644 1.00 0.28 H new ATOM 0 HG23 VAL A 315 -1.192 2.393 2.768 1.00 0.28 H new ATOM 966 N THR A 316 -1.967 2.016 5.956 1.00 0.26 N ATOM 967 CA THR A 316 -2.042 3.364 6.586 1.00 0.29 C ATOM 968 C THR A 316 -0.668 4.035 6.522 1.00 0.29 C ATOM 969 O THR A 316 0.286 3.574 7.117 1.00 0.52 O ATOM 970 CB THR A 316 -2.472 3.221 8.047 1.00 0.37 C ATOM 971 OG1 THR A 316 -3.760 2.624 8.103 1.00 0.45 O ATOM 972 CG2 THR A 316 -2.518 4.601 8.705 1.00 0.49 C ATOM 0 H THR A 316 -1.478 1.308 6.503 1.00 0.26 H new ATOM 0 HA THR A 316 -2.769 3.975 6.051 1.00 0.29 H new ATOM 0 HB THR A 316 -1.756 2.593 8.577 1.00 0.37 H new ATOM 0 HG1 THR A 316 -4.434 3.272 7.810 1.00 0.45 H new ATOM 0 HG21 THR A 316 -2.825 4.498 9.746 1.00 0.49 H new ATOM 0 HG22 THR A 316 -1.529 5.058 8.661 1.00 0.49 H new ATOM 0 HG23 THR A 316 -3.233 5.232 8.177 1.00 0.49 H new ATOM 980 N VAL A 317 -0.559 5.120 5.805 1.00 0.28 N ATOM 981 CA VAL A 317 0.753 5.818 5.704 1.00 0.30 C ATOM 982 C VAL A 317 0.725 7.082 6.565 1.00 0.31 C ATOM 983 O VAL A 317 -0.317 7.664 6.797 1.00 0.47 O ATOM 984 CB VAL A 317 1.017 6.200 4.247 1.00 0.35 C ATOM 985 CG1 VAL A 317 2.308 7.015 4.158 1.00 0.45 C ATOM 986 CG2 VAL A 317 1.159 4.929 3.406 1.00 0.42 C ATOM 0 H VAL A 317 -1.322 5.553 5.285 1.00 0.28 H new ATOM 0 HA VAL A 317 1.545 5.156 6.055 1.00 0.30 H new ATOM 0 HB VAL A 317 0.185 6.796 3.871 1.00 0.35 H new ATOM 0 HG11 VAL A 317 2.496 7.287 3.119 1.00 0.45 H new ATOM 0 HG12 VAL A 317 2.209 7.920 4.758 1.00 0.45 H new ATOM 0 HG13 VAL A 317 3.141 6.420 4.533 1.00 0.45 H new ATOM 0 HG21 VAL A 317 1.347 5.199 2.367 1.00 0.42 H new ATOM 0 HG22 VAL A 317 1.991 4.335 3.783 1.00 0.42 H new ATOM 0 HG23 VAL A 317 0.240 4.347 3.469 1.00 0.42 H new ATOM 996 N MET A 318 1.861 7.512 7.042 1.00 0.33 N ATOM 997 CA MET A 318 1.897 8.739 7.888 1.00 0.34 C ATOM 998 C MET A 318 2.402 9.918 7.054 1.00 0.36 C ATOM 999 O MET A 318 3.231 9.763 6.179 1.00 0.53 O ATOM 1000 CB MET A 318 2.838 8.513 9.074 1.00 0.38 C ATOM 1001 CG MET A 318 2.228 7.475 10.018 1.00 0.58 C ATOM 1002 SD MET A 318 3.096 7.521 11.606 1.00 1.12 S ATOM 1003 CE MET A 318 1.881 8.521 12.500 1.00 1.16 C ATOM 0 H MET A 318 2.765 7.067 6.883 1.00 0.33 H new ATOM 0 HA MET A 318 0.894 8.957 8.256 1.00 0.34 H new ATOM 0 HB2 MET A 318 3.811 8.171 8.720 1.00 0.38 H new ATOM 0 HB3 MET A 318 3.003 9.451 9.605 1.00 0.38 H new ATOM 0 HG2 MET A 318 1.168 7.680 10.165 1.00 0.58 H new ATOM 0 HG3 MET A 318 2.303 6.480 9.579 1.00 0.58 H new ATOM 0 HE1 MET A 318 2.221 8.677 13.524 1.00 1.16 H new ATOM 0 HE2 MET A 318 1.768 9.485 12.005 1.00 1.16 H new ATOM 0 HE3 MET A 318 0.921 8.004 12.511 1.00 1.16 H new ATOM 1013 N LYS A 319 1.908 11.097 7.316 1.00 0.40 N ATOM 1014 CA LYS A 319 2.359 12.284 6.538 1.00 0.45 C ATOM 1015 C LYS A 319 3.866 12.473 6.722 1.00 0.42 C ATOM 1016 O LYS A 319 4.649 12.200 5.834 1.00 0.49 O ATOM 1017 CB LYS A 319 1.624 13.531 7.036 1.00 0.56 C ATOM 1018 CG LYS A 319 0.130 13.398 6.736 1.00 0.85 C ATOM 1019 CD LYS A 319 -0.078 13.275 5.225 1.00 0.65 C ATOM 1020 CE LYS A 319 -1.571 13.368 4.906 1.00 0.97 C ATOM 1021 NZ LYS A 319 -2.089 14.698 5.332 1.00 1.74 N ATOM 0 H LYS A 319 1.211 11.289 8.036 1.00 0.40 H new ATOM 0 HA LYS A 319 2.139 12.130 5.482 1.00 0.45 H new ATOM 0 HB2 LYS A 319 1.781 13.655 8.108 1.00 0.56 H new ATOM 0 HB3 LYS A 319 2.025 14.421 6.550 1.00 0.56 H new ATOM 0 HG2 LYS A 319 -0.277 12.523 7.242 1.00 0.85 H new ATOM 0 HG3 LYS A 319 -0.407 14.266 7.118 1.00 0.85 H new ATOM 0 HD2 LYS A 319 0.465 14.065 4.707 1.00 0.65 H new ATOM 0 HD3 LYS A 319 0.323 12.326 4.868 1.00 0.65 H new ATOM 0 HE2 LYS A 319 -1.735 13.228 3.838 1.00 0.97 H new ATOM 0 HE3 LYS A 319 -2.113 12.574 5.419 1.00 0.97 H new ATOM 0 HZ1 LYS A 319 -2.969 14.908 4.819 1.00 1.74 H new ATOM 0 HZ2 LYS A 319 -2.279 14.685 6.354 1.00 1.74 H new ATOM 0 HZ3 LYS A 319 -1.381 15.430 5.120 1.00 1.74 H new ATOM 1035 N ASN A 320 4.279 12.940 7.869 1.00 0.48 N ATOM 1036 CA ASN A 320 5.735 13.146 8.108 1.00 0.57 C ATOM 1037 C ASN A 320 6.279 14.155 7.094 1.00 0.62 C ATOM 1038 O ASN A 320 7.456 14.173 6.793 1.00 0.76 O ATOM 1039 CB ASN A 320 6.472 11.815 7.949 1.00 0.61 C ATOM 1040 CG ASN A 320 5.929 10.806 8.963 1.00 0.64 C ATOM 1041 OD1 ASN A 320 5.134 11.151 9.815 1.00 0.89 O ATOM 1042 ND2 ASN A 320 6.327 9.565 8.907 1.00 0.66 N ATOM 0 H ASN A 320 3.671 13.187 8.650 1.00 0.48 H new ATOM 0 HA ASN A 320 5.888 13.526 9.118 1.00 0.57 H new ATOM 0 HB2 ASN A 320 6.342 11.434 6.936 1.00 0.61 H new ATOM 0 HB3 ASN A 320 7.542 11.959 8.101 1.00 0.61 H new ATOM 0 HD21 ASN A 320 5.971 8.884 9.578 1.00 0.66 H new ATOM 0 HD22 ASN A 320 6.994 9.275 8.192 1.00 0.66 H new ATOM 1049 N GLY A 321 5.431 14.994 6.565 1.00 0.61 N ATOM 1050 CA GLY A 321 5.900 16.000 5.571 1.00 0.70 C ATOM 1051 C GLY A 321 5.505 15.551 4.163 1.00 0.69 C ATOM 1052 O GLY A 321 5.941 16.111 3.177 1.00 1.16 O ATOM 0 H GLY A 321 4.434 15.026 6.778 1.00 0.61 H new ATOM 0 HA2 GLY A 321 5.462 16.974 5.790 1.00 0.70 H new ATOM 0 HA3 GLY A 321 6.982 16.115 5.637 1.00 0.70 H new ATOM 1056 N SER A 322 4.681 14.545 4.061 1.00 0.66 N ATOM 1057 CA SER A 322 4.258 14.061 2.716 1.00 0.66 C ATOM 1058 C SER A 322 2.756 13.770 2.728 1.00 0.63 C ATOM 1059 O SER A 322 2.203 13.352 3.726 1.00 1.10 O ATOM 1060 CB SER A 322 5.023 12.782 2.372 1.00 0.91 C ATOM 1061 OG SER A 322 6.263 13.125 1.769 1.00 1.47 O ATOM 0 H SER A 322 4.282 14.037 4.850 1.00 0.66 H new ATOM 0 HA SER A 322 4.473 14.825 1.970 1.00 0.66 H new ATOM 0 HB2 SER A 322 5.194 12.193 3.273 1.00 0.91 H new ATOM 0 HB3 SER A 322 4.435 12.164 1.694 1.00 0.91 H new ATOM 0 HG SER A 322 6.757 12.308 1.549 1.00 1.47 H new ATOM 1067 N SER A 323 2.092 13.987 1.626 1.00 0.55 N ATOM 1068 CA SER A 323 0.626 13.722 1.575 1.00 0.62 C ATOM 1069 C SER A 323 0.277 13.037 0.253 1.00 0.61 C ATOM 1070 O SER A 323 -0.875 12.929 -0.116 1.00 1.00 O ATOM 1071 CB SER A 323 -0.134 15.045 1.680 1.00 0.85 C ATOM 1072 OG SER A 323 0.726 16.040 2.219 1.00 1.65 O ATOM 0 H SER A 323 2.501 14.336 0.759 1.00 0.55 H new ATOM 0 HA SER A 323 0.345 13.074 2.405 1.00 0.62 H new ATOM 0 HB2 SER A 323 -0.492 15.351 0.697 1.00 0.85 H new ATOM 0 HB3 SER A 323 -1.012 14.924 2.315 1.00 0.85 H new ATOM 0 HG SER A 323 0.242 16.889 2.286 1.00 1.65 H new ATOM 1078 N THR A 324 1.264 12.573 -0.464 1.00 0.46 N ATOM 1079 CA THR A 324 0.996 11.897 -1.757 1.00 0.44 C ATOM 1080 C THR A 324 1.085 10.381 -1.563 1.00 0.38 C ATOM 1081 O THR A 324 2.127 9.847 -1.237 1.00 0.44 O ATOM 1082 CB THR A 324 2.039 12.357 -2.775 1.00 0.52 C ATOM 1083 OG1 THR A 324 1.559 13.505 -3.460 1.00 0.96 O ATOM 1084 CG2 THR A 324 2.299 11.236 -3.769 1.00 0.75 C ATOM 0 H THR A 324 2.249 12.635 -0.205 1.00 0.46 H new ATOM 0 HA THR A 324 -0.001 12.150 -2.117 1.00 0.44 H new ATOM 0 HB THR A 324 2.967 12.608 -2.262 1.00 0.52 H new ATOM 0 HG1 THR A 324 2.229 13.801 -4.112 1.00 0.96 H new ATOM 0 HG21 THR A 324 3.043 11.560 -4.497 1.00 0.75 H new ATOM 0 HG22 THR A 324 2.669 10.358 -3.239 1.00 0.75 H new ATOM 0 HG23 THR A 324 1.372 10.985 -4.285 1.00 0.75 H new ATOM 1092 N THR A 325 0.000 9.682 -1.760 1.00 0.35 N ATOM 1093 CA THR A 325 0.026 8.203 -1.587 1.00 0.31 C ATOM 1094 C THR A 325 1.246 7.625 -2.307 1.00 0.30 C ATOM 1095 O THR A 325 1.802 8.253 -3.186 1.00 0.33 O ATOM 1096 CB THR A 325 -1.249 7.596 -2.178 1.00 0.30 C ATOM 1097 OG1 THR A 325 -1.704 8.407 -3.253 1.00 0.32 O ATOM 1098 CG2 THR A 325 -2.329 7.520 -1.099 1.00 0.32 C ATOM 0 H THR A 325 -0.902 10.072 -2.033 1.00 0.35 H new ATOM 0 HA THR A 325 0.084 7.964 -0.525 1.00 0.31 H new ATOM 0 HB THR A 325 -1.037 6.592 -2.545 1.00 0.30 H new ATOM 0 HG1 THR A 325 -2.519 8.019 -3.633 1.00 0.32 H new ATOM 0 HG21 THR A 325 -3.236 7.088 -1.522 1.00 0.32 H new ATOM 0 HG22 THR A 325 -1.979 6.896 -0.277 1.00 0.32 H new ATOM 0 HG23 THR A 325 -2.544 8.522 -0.728 1.00 0.32 H new ATOM 1106 N PRO A 326 1.621 6.440 -1.907 1.00 0.27 N ATOM 1107 CA PRO A 326 2.773 5.730 -2.486 1.00 0.27 C ATOM 1108 C PRO A 326 2.406 5.119 -3.841 1.00 0.26 C ATOM 1109 O PRO A 326 1.257 5.103 -4.235 1.00 0.26 O ATOM 1110 CB PRO A 326 3.079 4.641 -1.460 1.00 0.27 C ATOM 1111 CG PRO A 326 1.780 4.428 -0.653 1.00 0.25 C ATOM 1112 CD PRO A 326 0.929 5.698 -0.838 1.00 0.25 C ATOM 0 HA PRO A 326 3.625 6.383 -2.673 1.00 0.27 H new ATOM 0 HB2 PRO A 326 3.386 3.718 -1.952 1.00 0.27 H new ATOM 0 HB3 PRO A 326 3.898 4.942 -0.806 1.00 0.27 H new ATOM 0 HG2 PRO A 326 1.244 3.548 -1.008 1.00 0.25 H new ATOM 0 HG3 PRO A 326 2.002 4.262 0.401 1.00 0.25 H new ATOM 0 HD2 PRO A 326 -0.095 5.454 -1.120 1.00 0.25 H new ATOM 0 HD3 PRO A 326 0.876 6.280 0.082 1.00 0.25 H new ATOM 1120 N ALA A 327 3.374 4.616 -4.556 1.00 0.27 N ATOM 1121 CA ALA A 327 3.082 4.006 -5.883 1.00 0.28 C ATOM 1122 C ALA A 327 3.181 2.483 -5.774 1.00 0.31 C ATOM 1123 O ALA A 327 4.204 1.944 -5.401 1.00 0.58 O ATOM 1124 CB ALA A 327 4.095 4.511 -6.912 1.00 0.34 C ATOM 0 H ALA A 327 4.355 4.601 -4.278 1.00 0.27 H new ATOM 0 HA ALA A 327 2.076 4.285 -6.198 1.00 0.28 H new ATOM 0 HB1 ALA A 327 3.881 4.064 -7.883 1.00 0.34 H new ATOM 0 HB2 ALA A 327 4.026 5.596 -6.989 1.00 0.34 H new ATOM 0 HB3 ALA A 327 5.101 4.233 -6.599 1.00 0.34 H new ATOM 1130 N ALA A 328 2.126 1.786 -6.096 1.00 0.33 N ATOM 1131 CA ALA A 328 2.163 0.299 -6.008 1.00 0.34 C ATOM 1132 C ALA A 328 2.375 -0.290 -7.403 1.00 0.33 C ATOM 1133 O ALA A 328 1.951 0.267 -8.395 1.00 0.39 O ATOM 1134 CB ALA A 328 0.839 -0.213 -5.440 1.00 0.40 C ATOM 0 H ALA A 328 1.242 2.181 -6.416 1.00 0.33 H new ATOM 0 HA ALA A 328 2.982 -0.003 -5.355 1.00 0.34 H new ATOM 0 HB1 ALA A 328 0.867 -1.301 -5.376 1.00 0.40 H new ATOM 0 HB2 ALA A 328 0.684 0.205 -4.445 1.00 0.40 H new ATOM 0 HB3 ALA A 328 0.021 0.091 -6.093 1.00 0.40 H new ATOM 1140 N THR A 329 3.027 -1.417 -7.485 1.00 0.28 N ATOM 1141 CA THR A 329 3.264 -2.044 -8.815 1.00 0.29 C ATOM 1142 C THR A 329 3.059 -3.556 -8.711 1.00 0.29 C ATOM 1143 O THR A 329 3.646 -4.216 -7.876 1.00 0.31 O ATOM 1144 CB THR A 329 4.694 -1.755 -9.273 1.00 0.34 C ATOM 1145 OG1 THR A 329 5.606 -2.194 -8.276 1.00 0.35 O ATOM 1146 CG2 THR A 329 4.867 -0.253 -9.500 1.00 0.40 C ATOM 0 H THR A 329 3.406 -1.930 -6.689 1.00 0.28 H new ATOM 0 HA THR A 329 2.562 -1.630 -9.539 1.00 0.29 H new ATOM 0 HB THR A 329 4.891 -2.285 -10.205 1.00 0.34 H new ATOM 0 HG1 THR A 329 5.854 -3.127 -8.447 1.00 0.35 H new ATOM 0 HG21 THR A 329 5.887 -0.049 -9.826 1.00 0.40 H new ATOM 0 HG22 THR A 329 4.167 0.082 -10.266 1.00 0.40 H new ATOM 0 HG23 THR A 329 4.670 0.281 -8.570 1.00 0.40 H new ATOM 1154 N CYS A 330 2.232 -4.110 -9.553 1.00 0.31 N ATOM 1155 CA CYS A 330 1.990 -5.579 -9.505 1.00 0.34 C ATOM 1156 C CYS A 330 3.066 -6.299 -10.320 1.00 0.41 C ATOM 1157 O CYS A 330 3.261 -6.025 -11.487 1.00 0.62 O ATOM 1158 CB CYS A 330 0.611 -5.887 -10.092 1.00 0.37 C ATOM 1159 SG CYS A 330 0.433 -7.675 -10.312 1.00 1.06 S ATOM 0 H CYS A 330 1.713 -3.608 -10.273 1.00 0.31 H new ATOM 0 HA CYS A 330 2.029 -5.922 -8.471 1.00 0.34 H new ATOM 0 HB2 CYS A 330 -0.170 -5.512 -9.430 1.00 0.37 H new ATOM 0 HB3 CYS A 330 0.489 -5.378 -11.048 1.00 0.37 H new ATOM 1164 N ALA A 331 3.766 -7.220 -9.715 1.00 0.71 N ATOM 1165 CA ALA A 331 4.828 -7.956 -10.457 1.00 0.80 C ATOM 1166 C ALA A 331 4.556 -9.460 -10.379 1.00 0.97 C ATOM 1167 O ALA A 331 4.611 -10.056 -9.322 1.00 1.29 O ATOM 1168 CB ALA A 331 6.191 -7.651 -9.833 1.00 1.21 C ATOM 0 H ALA A 331 3.648 -7.494 -8.740 1.00 0.71 H new ATOM 0 HA ALA A 331 4.827 -7.640 -11.500 1.00 0.80 H new ATOM 0 HB1 ALA A 331 6.968 -8.189 -10.376 1.00 1.21 H new ATOM 0 HB2 ALA A 331 6.385 -6.580 -9.889 1.00 1.21 H new ATOM 0 HB3 ALA A 331 6.192 -7.966 -8.790 1.00 1.21 H new ATOM 1174 N GLY A 332 4.264 -10.077 -11.491 1.00 1.04 N ATOM 1175 CA GLY A 332 3.990 -11.542 -11.480 1.00 1.41 C ATOM 1176 C GLY A 332 4.321 -12.135 -12.850 1.00 1.69 C ATOM 1177 O GLY A 332 3.489 -12.179 -13.735 1.00 2.38 O ATOM 0 H GLY A 332 4.203 -9.631 -12.406 1.00 1.04 H new ATOM 0 HA2 GLY A 332 4.587 -12.028 -10.708 1.00 1.41 H new ATOM 0 HA3 GLY A 332 2.943 -11.725 -11.236 1.00 1.41 H new ATOM 1181 N SER A 333 5.530 -12.590 -13.034 1.00 2.09 N ATOM 1182 CA SER A 333 5.912 -13.179 -14.349 1.00 2.90 C ATOM 1183 C SER A 333 5.471 -14.643 -14.400 1.00 3.63 C ATOM 1184 O SER A 333 6.238 -15.455 -14.889 1.00 4.10 O ATOM 1185 CB SER A 333 7.429 -13.097 -14.522 1.00 3.58 C ATOM 1186 OG SER A 333 7.991 -12.404 -13.415 1.00 4.19 O ATOM 1187 OXT SER A 333 4.373 -14.926 -13.950 1.00 4.20 O ATOM 0 H SER A 333 6.269 -12.580 -12.331 1.00 2.09 H new ATOM 0 HA SER A 333 5.424 -12.625 -15.151 1.00 2.90 H new ATOM 0 HB2 SER A 333 7.853 -14.099 -14.592 1.00 3.58 H new ATOM 0 HB3 SER A 333 7.673 -12.581 -15.451 1.00 3.58 H new ATOM 0 HG SER A 333 8.125 -13.029 -12.672 1.00 4.19 H new TER 1193 SER A 333 CONECT 29 1159 CONECT 1159 29 END