USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 925 hydrogens (38 hets) HEADER APOPTOSIS 27-MAY-04 1TFQ TITLE NMR STRUCTURE OF AN ANTAGONISTS OF THE XIAP-CASPASE-9 TITLE 2 INTERACTION COMPLEXED TO THE BIR3 DOMAIN OF XIAP COMPND MOL_ID: 1; COMPND 2 MOLECULE: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: BIR3 OF XIAP: RESIDUES 241-356; COMPND 5 SYNONYM: INHIBITOR OF APOPTOSIS PROTEIN 3, X-LINKED COMPND 6 INHIBITOR OF APOPTOSIS PROTEIN, XIAP, X-LINKED IAP, IAP- COMPND 7 LIKE PROTEIN, HILP; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BIRC4, API3, IAP3, XIAP; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28B KEYWDS COMPLEX, LIGAND-PROTEIN, APOPTOSIS, BIR, XIAP EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.K.OOST,C.SUN,R.C.ARMSTRONG,A.S.AL-ASSAAD,S.F.BETZ, AUTHOR 2 T.L.DECKWERTH,S.W.ELMORE,R.P.MEADOWS,E.T.OLEJNICZAK, AUTHOR 3 A.OLEKSIJEW,T.OLTERSDORF,S.H.ROSENBERG,A.R.SHOEMAKER,H.ZOU, AUTHOR 4 S.W.FESIK REVDAT 2 24-FEB-09 1TFQ 1 VERSN REVDAT 1 07-SEP-04 1TFQ 0 JRNL AUTH T.K.OOST,C.SUN,R.C.ARMSTRONG,A.S.AL-ASSAAD, JRNL AUTH 2 S.F.BETZ,T.L.DECKWERTH,H.DING,S.W.ELMORE, JRNL AUTH 3 R.P.MEADOWS,E.T.OLEJNICZAK,A.OLEKSIJEW, JRNL AUTH 4 T.OLTERSDORF,S.H.ROSENBERG,A.R.SHOEMAKER, JRNL AUTH 5 K.J.TOMASELLI,H.ZOU,S.W.FESIK JRNL TITL DISCOVERY OF POTENT ANTAGONISTS OF THE JRNL TITL 2 ANTIAPOPTOTIC PROTEIN XIAP FOR THE TREATMENT OF JRNL TITL 3 CANCER. JRNL REF J.MED.CHEM. V. 47 4417 2004 JRNL REFN ISSN 0022-2623 JRNL PMID 15317454 JRNL DOI 10.1021/JM040037K REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 2000 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TFQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JUN-04. REMARK 100 THE RCSB ID CODE IS RCSB022609. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : 20MM TRIS REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : U-15N, 0.8MM BIR3,20MM TRIS, REMARK 210 2MMDTT, 20MM PHOSPHATE BUFFER, REMARK 210 120MM NACL, 90%H2O, 10%D20; U- REMARK 210 15N,13C 0.8MM BIR3, 20MM TRIS, REMARK 210 2MMDTT, 20MM PHOSPHATE BUFFER, REMARK 210 120MM NACL, 100%D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 2D_13C, REMARK 210 15N FILTERED NOESY, 2D_13C,15N REMARK 210 FILTERED TOCSY, 3D_13C,15N REMARK 210 FILTERED ,13C SEPARATED NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 243 -176.77 63.16 REMARK 500 VAL A 244 80.29 -150.92 REMARK 500 SER A 245 -66.69 -159.55 REMARK 500 ASP A 247 -61.36 -147.84 REMARK 500 PHE A 250 72.42 59.36 REMARK 500 ASN A 252 -60.91 -151.81 REMARK 500 SER A 253 -54.37 -178.15 REMARK 500 ASN A 255 100.62 -58.70 REMARK 500 ARG A 258 -63.56 -170.11 REMARK 500 ASN A 259 74.31 57.49 REMARK 500 MET A 262 -50.38 -169.05 REMARK 500 ASP A 264 -59.76 -137.56 REMARK 500 TYR A 277 -52.06 -146.58 REMARK 500 SER A 278 -73.21 -129.35 REMARK 500 ASP A 296 -56.62 72.51 REMARK 500 LYS A 297 100.67 -53.59 REMARK 500 HIS A 302 -66.69 71.10 REMARK 500 ASP A 309 65.49 60.35 REMARK 500 SER A 313 89.11 62.36 REMARK 500 TYR A 324 87.64 -161.02 REMARK 500 LEU A 344 -49.56 -176.09 REMARK 500 LEU A 348 176.69 59.63 REMARK 500 VAL A 353 -67.46 71.76 REMARK 500 ARG A 354 51.36 -166.85 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 999 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 320 ND1 REMARK 620 2 CYS A 300 SG 110.0 REMARK 620 3 CYS A 303 SG 110.0 108.6 REMARK 620 4 CYS A 327 SG 109.0 109.2 110.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 999 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 998 A 998 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TFT RELATED DB: PDB REMARK 900 NMR STRUCTURE OF AN ANTAGONISTS OF THE XIAP-CASPASE-9 REMARK 900 INTERACTION COMPLEXED TO THE BIR3 DOMAIN OF XIAP DBREF 1TFQ A 241 356 UNP P98170 BIRC4_HUMAN 241 356 SEQADV 1TFQ MET A 240 UNP P98170 INITIATING METHIONINE SEQRES 1 A 117 MET SER ASP ALA VAL SER SER ASP ARG ASN PHE PRO ASN SEQRES 2 A 117 SER THR ASN LEU PRO ARG ASN PRO SER MET ALA ASP TYR SEQRES 3 A 117 GLU ALA ARG ILE PHE THR PHE GLY THR TRP ILE TYR SER SEQRES 4 A 117 VAL ASN LYS GLU GLN LEU ALA ARG ALA GLY PHE TYR ALA SEQRES 5 A 117 LEU GLY GLU GLY ASP LYS VAL LYS CYS PHE HIS CYS GLY SEQRES 6 A 117 GLY GLY LEU THR ASP TRP LYS PRO SER GLU ASP PRO TRP SEQRES 7 A 117 GLU GLN HIS ALA LYS TRP TYR PRO GLY CYS LYS TYR LEU SEQRES 8 A 117 LEU GLU GLN LYS GLY GLN GLU TYR ILE ASN ASN ILE HIS SEQRES 9 A 117 LEU THR HIS SER LEU GLU GLU CYS LEU VAL ARG THR THR HET ZN A 999 1 HET 998 A 998 70 HETNAM ZN ZINC ION HETNAM 998 N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4- HETNAM 2 998 TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE HETSYN 998 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)- HETSYN 2 998 BUTYRYL]-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4- HETSYN 3 998 TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE FORMUL 2 ZN ZN 2+ FORMUL 3 998 C25 H38 N4 O3 HELIX 1 1 ASP A 264 GLY A 273 1 10 HELIX 2 2 ASN A 280 GLY A 288 1 9 HELIX 3 3 ASP A 315 TYR A 324 1 10 HELIX 4 4 CYS A 327 HIS A 343 1 17 SHEET 1 A 3 PHE A 289 ALA A 291 0 SHEET 2 A 3 VAL A 298 CYS A 300 -1 O LYS A 299 N TYR A 290 SHEET 3 A 3 GLY A 306 LEU A 307 -1 O LEU A 307 N VAL A 298 LINK ZN ZN A 999 ND1 HIS A 320 1555 1555 2.21 LINK ZN ZN A 999 SG CYS A 300 1555 1555 2.10 LINK ZN ZN A 999 SG CYS A 303 1555 1555 2.10 LINK ZN ZN A 999 SG CYS A 327 1555 1555 2.10 SITE *** AC1 4 CYS A 300 CYS A 303 HIS A 320 CYS A 327 SITE *** AC2 8 LYS A 297 LYS A 299 GLY A 306 LEU A 307 SITE *** AC2 8 THR A 308 ASP A 309 GLN A 319 TRP A 323 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 329 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 333 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.1) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 245 SER OG : rot 180:sc= 0 USER MOD Single : A 246 SER OG : rot 47:sc= 0.649 USER MOD Single : A 249 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 252 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 253 SER OG : rot 180:sc= 0 USER MOD Single : A 254 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 255 ASN : amide:sc= -0.0831 K(o=-0.083,f=-2!) USER MOD Single : A 259 ASN : amide:sc= -0.556 K(o=-0.56,f=-5.6!) USER MOD Single : A 261 SER OG : rot 180:sc= 0 USER MOD Single : A 262 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 271 THR OG1 : rot -62:sc= -1.39! USER MOD Single : A 274 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 277 TYR OH : rot -15:sc= -0.265 USER MOD Single : A 278 SER OG : rot 180:sc= 0.163 USER MOD Single : A 280 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.18) USER MOD Single : A 281 LYS NZ :NH3+ -117:sc= -2.82 (180deg=-3.69!) USER MOD Single : A 283 GLN : amide:sc= -0.083 X(o=-0.083,f=0) USER MOD Single : A 290 TYR OH : rot 180:sc= 0 USER MOD Single : A 297 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 302 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.43) USER MOD Single : A 308 THR OG1 : rot 36:sc= 0.0344 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 SER OG : rot 180:sc= 0 USER MOD Single : A 319 GLN : amide:sc= -0.723 X(o=-0.72,f=-1.1) USER MOD Single : A 320 HIS :FLIP no HD1:sc= -4.41! C(o=-5.7!,f=-4.4!) USER MOD Single : A 322 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 324 TYR OH : rot 180:sc= 0 USER MOD Single : A 328 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 336 GLN : amide:sc= -0.62 K(o=-0.62,f=-5.1!) USER MOD Single : A 338 TYR OH : rot 180:sc= 0 USER MOD Single : A 340 ASN : amide:sc= 0 X(o=0,f=0.0068) USER MOD Single : A 341 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 343 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=-0.0022) USER MOD Single : A 345 THR OG1 : rot 180:sc= 0 USER MOD Single : A 346 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.043) USER MOD Single : A 347 SER OG : rot 180:sc= -0.0817 USER MOD Single : A 351 CYS SG : rot 180:sc= 0 USER MOD Single : A 355 THR OG1 : rot -36:sc= 0.939 USER MOD Single : A 356 THR OG1 : rot -55:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 240 14.907 24.119 19.978 1.00 17.95 N ATOM 2 CA MET A 240 15.608 24.097 18.668 1.00 17.89 C ATOM 3 C MET A 240 15.672 22.682 18.100 1.00 17.87 C ATOM 4 O MET A 240 16.685 21.995 18.232 1.00 18.20 O ATOM 5 CB MET A 240 17.020 24.653 18.861 1.00 18.13 C ATOM 6 CG MET A 240 17.055 26.153 19.104 1.00 18.07 C ATOM 7 SD MET A 240 18.002 27.038 17.850 1.00 18.48 S ATOM 8 CE MET A 240 16.966 28.476 17.595 1.00 18.40 C ATOM 0 HA MET A 240 15.056 24.711 17.957 1.00 17.89 H new ATOM 0 HB2 MET A 240 17.489 24.146 19.704 1.00 18.13 H new ATOM 0 HB3 MET A 240 17.616 24.422 17.978 1.00 18.13 H new ATOM 0 HG2 MET A 240 16.035 26.538 19.123 1.00 18.07 H new ATOM 0 HG3 MET A 240 17.487 26.348 20.085 1.00 18.07 H new ATOM 0 HE1 MET A 240 17.420 29.123 16.844 1.00 18.40 H new ATOM 0 HE2 MET A 240 15.981 28.159 17.253 1.00 18.40 H new ATOM 0 HE3 MET A 240 16.866 29.023 18.532 1.00 18.40 H new ATOM 20 N SER A 241 14.584 22.254 17.469 1.00 17.64 N ATOM 21 CA SER A 241 14.516 20.921 16.881 1.00 17.76 C ATOM 22 C SER A 241 15.395 20.829 15.638 1.00 17.40 C ATOM 23 O SER A 241 14.958 21.145 14.532 1.00 17.41 O ATOM 24 CB SER A 241 13.070 20.572 16.524 1.00 18.18 C ATOM 25 OG SER A 241 12.219 20.712 17.648 1.00 18.54 O ATOM 0 H SER A 241 13.737 22.811 17.352 1.00 17.64 H new ATOM 0 HA SER A 241 14.884 20.207 17.618 1.00 17.76 H new ATOM 0 HB2 SER A 241 12.724 21.221 15.719 1.00 18.18 H new ATOM 0 HB3 SER A 241 13.021 19.549 16.152 1.00 18.18 H new ATOM 0 HG SER A 241 11.300 20.485 17.393 1.00 18.54 H new ATOM 31 N ASP A 242 16.637 20.395 15.829 1.00 17.21 N ATOM 32 CA ASP A 242 17.578 20.261 14.723 1.00 17.02 C ATOM 33 C ASP A 242 17.199 19.088 13.826 1.00 16.49 C ATOM 34 O ASP A 242 17.211 19.202 12.600 1.00 16.38 O ATOM 35 CB ASP A 242 18.999 20.074 15.255 1.00 17.27 C ATOM 36 CG ASP A 242 19.969 19.641 14.174 1.00 17.53 C ATOM 37 OD1 ASP A 242 20.079 20.354 13.155 1.00 17.77 O ATOM 38 OD2 ASP A 242 20.619 18.588 14.345 1.00 17.63 O ATOM 0 H ASP A 242 17.015 20.130 16.739 1.00 17.21 H new ATOM 0 HA ASP A 242 17.537 21.175 14.131 1.00 17.02 H new ATOM 0 HB2 ASP A 242 19.345 21.009 15.696 1.00 17.27 H new ATOM 0 HB3 ASP A 242 18.991 19.330 16.051 1.00 17.27 H new ATOM 43 N ALA A 243 16.864 17.960 14.445 1.00 16.31 N ATOM 44 CA ALA A 243 16.481 16.764 13.704 1.00 15.96 C ATOM 45 C ALA A 243 17.635 16.254 12.847 1.00 15.61 C ATOM 46 O ALA A 243 18.738 16.800 12.884 1.00 15.48 O ATOM 47 CB ALA A 243 15.262 17.047 12.839 1.00 15.93 C ATOM 0 H ALA A 243 16.850 17.850 15.459 1.00 16.31 H new ATOM 0 HA ALA A 243 16.229 15.986 14.425 1.00 15.96 H new ATOM 0 HB1 ALA A 243 14.987 16.145 12.291 1.00 15.93 H new ATOM 0 HB2 ALA A 243 14.430 17.355 13.472 1.00 15.93 H new ATOM 0 HB3 ALA A 243 15.494 17.844 12.133 1.00 15.93 H new ATOM 53 N VAL A 244 17.375 15.203 12.076 1.00 15.61 N ATOM 54 CA VAL A 244 18.393 14.620 11.211 1.00 15.48 C ATOM 55 C VAL A 244 17.764 13.975 9.980 1.00 15.27 C ATOM 56 O VAL A 244 17.586 12.758 9.927 1.00 15.31 O ATOM 57 CB VAL A 244 19.228 13.564 11.958 1.00 15.91 C ATOM 58 CG1 VAL A 244 20.413 14.215 12.655 1.00 16.27 C ATOM 59 CG2 VAL A 244 18.364 12.807 12.955 1.00 16.09 C ATOM 0 H VAL A 244 16.468 14.738 12.033 1.00 15.61 H new ATOM 0 HA VAL A 244 19.046 15.435 10.899 1.00 15.48 H new ATOM 0 HB VAL A 244 19.612 12.850 11.230 1.00 15.91 H new ATOM 0 HG11 VAL A 244 20.991 13.453 13.178 1.00 16.27 H new ATOM 0 HG12 VAL A 244 21.045 14.707 11.915 1.00 16.27 H new ATOM 0 HG13 VAL A 244 20.053 14.953 13.372 1.00 16.27 H new ATOM 0 HG21 VAL A 244 18.972 12.065 13.473 1.00 16.09 H new ATOM 0 HG22 VAL A 244 17.948 13.506 13.680 1.00 16.09 H new ATOM 0 HG23 VAL A 244 17.552 12.307 12.427 1.00 16.09 H new ATOM 69 N SER A 245 17.430 14.799 8.992 1.00 15.22 N ATOM 70 CA SER A 245 16.822 14.309 7.761 1.00 15.21 C ATOM 71 C SER A 245 16.996 15.317 6.630 1.00 14.92 C ATOM 72 O SER A 245 17.702 15.057 5.656 1.00 15.13 O ATOM 73 CB SER A 245 15.335 14.022 7.981 1.00 15.69 C ATOM 74 OG SER A 245 15.038 12.657 7.742 1.00 16.18 O ATOM 0 H SER A 245 17.570 15.809 9.020 1.00 15.22 H new ATOM 0 HA SER A 245 17.325 13.384 7.479 1.00 15.21 H new ATOM 0 HB2 SER A 245 15.058 14.284 9.002 1.00 15.69 H new ATOM 0 HB3 SER A 245 14.739 14.649 7.318 1.00 15.69 H new ATOM 0 HG SER A 245 14.082 12.499 7.891 1.00 16.18 H new ATOM 80 N SER A 246 16.347 16.469 6.767 1.00 14.61 N ATOM 81 CA SER A 246 16.429 17.518 5.757 1.00 14.50 C ATOM 82 C SER A 246 17.485 18.553 6.132 1.00 14.13 C ATOM 83 O SER A 246 17.236 19.441 6.948 1.00 14.16 O ATOM 84 CB SER A 246 15.070 18.198 5.586 1.00 14.60 C ATOM 85 OG SER A 246 14.598 18.713 6.819 1.00 14.79 O ATOM 0 H SER A 246 15.759 16.700 7.568 1.00 14.61 H new ATOM 0 HA SER A 246 16.718 17.056 4.813 1.00 14.50 H new ATOM 0 HB2 SER A 246 15.153 19.006 4.859 1.00 14.60 H new ATOM 0 HB3 SER A 246 14.350 17.483 5.187 1.00 14.60 H new ATOM 0 HG SER A 246 15.316 19.211 7.262 1.00 14.79 H new ATOM 91 N ASP A 247 18.664 18.434 5.531 1.00 13.98 N ATOM 92 CA ASP A 247 19.758 19.359 5.802 1.00 13.83 C ATOM 93 C ASP A 247 20.625 19.555 4.563 1.00 13.49 C ATOM 94 O ASP A 247 20.744 20.666 4.046 1.00 13.50 O ATOM 95 CB ASP A 247 20.613 18.846 6.962 1.00 13.98 C ATOM 96 CG ASP A 247 21.304 19.967 7.712 1.00 14.05 C ATOM 97 OD1 ASP A 247 21.463 21.061 7.130 1.00 14.06 O ATOM 98 OD2 ASP A 247 21.686 19.753 8.881 1.00 14.27 O ATOM 0 H ASP A 247 18.886 17.706 4.853 1.00 13.98 H new ATOM 0 HA ASP A 247 19.326 20.322 6.077 1.00 13.83 H new ATOM 0 HB2 ASP A 247 19.984 18.285 7.653 1.00 13.98 H new ATOM 0 HB3 ASP A 247 21.362 18.153 6.579 1.00 13.98 H new ATOM 103 N ARG A 248 21.228 18.469 4.091 1.00 13.39 N ATOM 104 CA ARG A 248 22.085 18.523 2.912 1.00 13.26 C ATOM 105 C ARG A 248 22.180 17.154 2.246 1.00 12.93 C ATOM 106 O ARG A 248 21.833 16.136 2.844 1.00 12.97 O ATOM 107 CB ARG A 248 23.482 19.017 3.292 1.00 13.59 C ATOM 108 CG ARG A 248 24.091 18.274 4.470 1.00 14.10 C ATOM 109 CD ARG A 248 25.570 18.586 4.620 1.00 14.47 C ATOM 110 NE ARG A 248 25.818 19.573 5.672 1.00 15.11 N ATOM 111 CZ ARG A 248 26.956 20.266 5.818 1.00 15.42 C ATOM 112 NH1 ARG A 248 27.987 20.104 4.987 1.00 15.17 N ATOM 113 NH2 ARG A 248 27.062 21.136 6.813 1.00 16.14 N ATOM 0 H ARG A 248 21.139 17.542 4.506 1.00 13.39 H new ATOM 0 HA ARG A 248 21.641 19.222 2.203 1.00 13.26 H new ATOM 0 HB2 ARG A 248 24.141 18.916 2.430 1.00 13.59 H new ATOM 0 HB3 ARG A 248 23.430 20.079 3.531 1.00 13.59 H new ATOM 0 HG2 ARG A 248 23.566 18.548 5.385 1.00 14.10 H new ATOM 0 HG3 ARG A 248 23.956 17.201 4.334 1.00 14.10 H new ATOM 0 HD2 ARG A 248 26.113 17.669 4.848 1.00 14.47 H new ATOM 0 HD3 ARG A 248 25.960 18.960 3.673 1.00 14.47 H new ATOM 0 HE ARG A 248 25.070 19.746 6.343 1.00 15.11 H new ATOM 0 HH11 ARG A 248 27.921 19.439 4.216 1.00 15.17 H new ATOM 0 HH12 ARG A 248 28.841 20.645 5.122 1.00 15.17 H new ATOM 0 HH21 ARG A 248 26.283 21.272 7.457 1.00 16.14 H new ATOM 0 HH22 ARG A 248 27.923 21.669 6.935 1.00 16.14 H new ATOM 127 N ASN A 249 22.653 17.138 1.004 1.00 12.80 N ATOM 128 CA ASN A 249 22.795 15.894 0.256 1.00 12.70 C ATOM 129 C ASN A 249 24.106 15.196 0.603 1.00 12.20 C ATOM 130 O ASN A 249 24.899 15.701 1.397 1.00 11.93 O ATOM 131 CB ASN A 249 22.732 16.169 -1.247 1.00 13.00 C ATOM 132 CG ASN A 249 21.518 16.990 -1.635 1.00 13.20 C ATOM 133 OD1 ASN A 249 20.427 16.798 -1.097 1.00 13.22 O ATOM 134 ND2 ASN A 249 21.701 17.911 -2.574 1.00 13.56 N ATOM 0 H ASN A 249 22.944 17.972 0.494 1.00 12.80 H new ATOM 0 HA ASN A 249 21.971 15.237 0.533 1.00 12.70 H new ATOM 0 HB2 ASN A 249 23.636 16.694 -1.555 1.00 13.00 H new ATOM 0 HB3 ASN A 249 22.714 15.222 -1.786 1.00 13.00 H new ATOM 0 HD21 ASN A 249 20.920 18.493 -2.876 1.00 13.56 H new ATOM 0 HD22 ASN A 249 22.623 18.036 -2.993 1.00 13.56 H new ATOM 141 N PHE A 250 24.327 14.031 0.002 1.00 12.26 N ATOM 142 CA PHE A 250 25.542 13.263 0.246 1.00 11.99 C ATOM 143 C PHE A 250 25.673 12.905 1.724 1.00 11.68 C ATOM 144 O PHE A 250 26.510 13.461 2.435 1.00 11.66 O ATOM 145 CB PHE A 250 26.769 14.054 -0.209 1.00 12.19 C ATOM 146 CG PHE A 250 26.602 14.701 -1.554 1.00 12.51 C ATOM 147 CD1 PHE A 250 26.249 13.947 -2.661 1.00 12.57 C ATOM 148 CD2 PHE A 250 26.798 16.064 -1.710 1.00 12.97 C ATOM 149 CE1 PHE A 250 26.094 14.540 -3.900 1.00 13.08 C ATOM 150 CE2 PHE A 250 26.644 16.663 -2.946 1.00 13.46 C ATOM 151 CZ PHE A 250 26.292 15.899 -4.042 1.00 13.52 C ATOM 0 H PHE A 250 23.680 13.598 -0.658 1.00 12.26 H new ATOM 0 HA PHE A 250 25.479 12.339 -0.329 1.00 11.99 H new ATOM 0 HB2 PHE A 250 26.989 14.824 0.530 1.00 12.19 H new ATOM 0 HB3 PHE A 250 27.630 13.387 -0.241 1.00 12.19 H new ATOM 0 HD1 PHE A 250 26.093 12.884 -2.555 1.00 12.57 H new ATOM 0 HD2 PHE A 250 27.074 16.665 -0.856 1.00 12.97 H new ATOM 0 HE1 PHE A 250 25.818 13.941 -4.756 1.00 13.08 H new ATOM 0 HE2 PHE A 250 26.799 17.726 -3.055 1.00 13.46 H new ATOM 0 HZ PHE A 250 26.172 16.364 -5.009 1.00 13.52 H new ATOM 161 N PRO A 251 24.843 11.967 2.205 1.00 11.63 N ATOM 162 CA PRO A 251 24.866 11.531 3.606 1.00 11.57 C ATOM 163 C PRO A 251 26.244 11.038 4.035 1.00 11.04 C ATOM 164 O PRO A 251 26.770 11.456 5.066 1.00 11.01 O ATOM 165 CB PRO A 251 23.853 10.383 3.644 1.00 11.84 C ATOM 166 CG PRO A 251 22.958 10.621 2.477 1.00 11.89 C ATOM 167 CD PRO A 251 23.818 11.257 1.421 1.00 11.90 C ATOM 0 HA PRO A 251 24.628 12.347 4.288 1.00 11.57 H new ATOM 0 HB2 PRO A 251 24.350 9.416 3.570 1.00 11.84 H new ATOM 0 HB3 PRO A 251 23.292 10.382 4.578 1.00 11.84 H new ATOM 0 HG2 PRO A 251 22.527 9.686 2.119 1.00 11.89 H new ATOM 0 HG3 PRO A 251 22.127 11.272 2.748 1.00 11.89 H new ATOM 0 HD2 PRO A 251 24.261 10.512 0.760 1.00 11.90 H new ATOM 0 HD3 PRO A 251 23.246 11.940 0.793 1.00 11.90 H new ATOM 175 N ASN A 252 26.822 10.147 3.236 1.00 10.83 N ATOM 176 CA ASN A 252 28.139 9.596 3.533 1.00 10.53 C ATOM 177 C ASN A 252 28.861 9.193 2.251 1.00 10.01 C ATOM 178 O ASN A 252 29.931 9.716 1.939 1.00 10.17 O ATOM 179 CB ASN A 252 28.011 8.387 4.461 1.00 10.95 C ATOM 180 CG ASN A 252 28.629 8.636 5.823 1.00 11.49 C ATOM 181 OD1 ASN A 252 27.925 8.904 6.797 1.00 11.63 O ATOM 182 ND2 ASN A 252 29.952 8.550 5.898 1.00 11.99 N ATOM 0 H ASN A 252 26.399 9.791 2.378 1.00 10.83 H new ATOM 0 HA ASN A 252 28.725 10.368 4.032 1.00 10.53 H new ATOM 0 HB2 ASN A 252 26.957 8.136 4.583 1.00 10.95 H new ATOM 0 HB3 ASN A 252 28.492 7.525 3.999 1.00 10.95 H new ATOM 0 HD21 ASN A 252 30.424 8.709 6.788 1.00 11.99 H new ATOM 0 HD22 ASN A 252 30.496 8.325 5.065 1.00 11.99 H new ATOM 189 N SER A 253 28.269 8.260 1.512 1.00 9.59 N ATOM 190 CA SER A 253 28.855 7.787 0.264 1.00 9.29 C ATOM 191 C SER A 253 27.953 6.754 -0.403 1.00 8.54 C ATOM 192 O SER A 253 27.581 6.899 -1.568 1.00 8.62 O ATOM 193 CB SER A 253 30.237 7.184 0.521 1.00 9.77 C ATOM 194 OG SER A 253 30.645 6.364 -0.560 1.00 10.10 O ATOM 0 H SER A 253 27.383 7.817 1.756 1.00 9.59 H new ATOM 0 HA SER A 253 28.958 8.640 -0.406 1.00 9.29 H new ATOM 0 HB2 SER A 253 30.964 7.983 0.670 1.00 9.77 H new ATOM 0 HB3 SER A 253 30.216 6.597 1.439 1.00 9.77 H new ATOM 0 HG SER A 253 31.532 5.992 -0.372 1.00 10.10 H new ATOM 200 N THR A 254 27.605 5.711 0.343 1.00 8.02 N ATOM 201 CA THR A 254 26.746 4.653 -0.175 1.00 7.42 C ATOM 202 C THR A 254 25.292 5.108 -0.250 1.00 6.97 C ATOM 203 O THR A 254 24.596 4.833 -1.227 1.00 7.23 O ATOM 204 CB THR A 254 26.829 3.385 0.695 1.00 7.57 C ATOM 205 OG1 THR A 254 27.575 3.656 1.888 1.00 8.15 O ATOM 206 CG2 THR A 254 27.486 2.246 -0.071 1.00 7.83 C ATOM 0 H THR A 254 27.905 5.576 1.309 1.00 8.02 H new ATOM 0 HA THR A 254 27.103 4.422 -1.179 1.00 7.42 H new ATOM 0 HB THR A 254 25.815 3.087 0.961 1.00 7.57 H new ATOM 0 HG1 THR A 254 27.621 2.845 2.436 1.00 8.15 H new ATOM 0 HG21 THR A 254 27.534 1.361 0.563 1.00 7.83 H new ATOM 0 HG22 THR A 254 26.901 2.022 -0.963 1.00 7.83 H new ATOM 0 HG23 THR A 254 28.495 2.538 -0.363 1.00 7.83 H new ATOM 214 N ASN A 255 24.839 5.803 0.790 1.00 6.60 N ATOM 215 CA ASN A 255 23.466 6.294 0.842 1.00 6.42 C ATOM 216 C ASN A 255 23.168 7.211 -0.340 1.00 5.68 C ATOM 217 O ASN A 255 23.541 8.385 -0.338 1.00 5.64 O ATOM 218 CB ASN A 255 23.220 7.039 2.155 1.00 6.99 C ATOM 219 CG ASN A 255 23.201 6.111 3.353 1.00 7.40 C ATOM 220 OD1 ASN A 255 23.786 5.028 3.323 1.00 7.44 O ATOM 221 ND2 ASN A 255 22.525 6.530 4.416 1.00 8.03 N ATOM 0 H ASN A 255 25.402 6.038 1.607 1.00 6.60 H new ATOM 0 HA ASN A 255 22.798 5.435 0.787 1.00 6.42 H new ATOM 0 HB2 ASN A 255 23.997 7.791 2.294 1.00 6.99 H new ATOM 0 HB3 ASN A 255 22.270 7.570 2.095 1.00 6.99 H new ATOM 0 HD21 ASN A 255 22.476 5.947 5.251 1.00 8.03 H new ATOM 0 HD22 ASN A 255 22.055 7.435 4.397 1.00 8.03 H new ATOM 228 N LEU A 256 22.494 6.667 -1.348 1.00 5.43 N ATOM 229 CA LEU A 256 22.143 7.435 -2.538 1.00 4.99 C ATOM 230 C LEU A 256 20.859 8.228 -2.313 1.00 4.19 C ATOM 231 O LEU A 256 20.114 7.963 -1.370 1.00 4.35 O ATOM 232 CB LEU A 256 21.980 6.500 -3.738 1.00 5.75 C ATOM 233 CG LEU A 256 23.254 6.258 -4.548 1.00 6.70 C ATOM 234 CD1 LEU A 256 23.586 4.774 -4.590 1.00 7.49 C ATOM 235 CD2 LEU A 256 23.103 6.812 -5.956 1.00 7.11 C ATOM 0 H LEU A 256 22.180 5.697 -1.365 1.00 5.43 H new ATOM 0 HA LEU A 256 22.950 8.139 -2.742 1.00 4.99 H new ATOM 0 HB2 LEU A 256 21.606 5.540 -3.383 1.00 5.75 H new ATOM 0 HB3 LEU A 256 21.220 6.913 -4.401 1.00 5.75 H new ATOM 0 HG LEU A 256 24.077 6.780 -4.060 1.00 6.70 H new ATOM 0 HD11 LEU A 256 24.496 4.621 -5.171 1.00 7.49 H new ATOM 0 HD12 LEU A 256 23.737 4.406 -3.575 1.00 7.49 H new ATOM 0 HD13 LEU A 256 22.763 4.230 -5.054 1.00 7.49 H new ATOM 0 HD21 LEU A 256 24.019 6.631 -6.518 1.00 7.11 H new ATOM 0 HD22 LEU A 256 22.268 6.318 -6.454 1.00 7.11 H new ATOM 0 HD23 LEU A 256 22.913 7.884 -5.907 1.00 7.11 H new ATOM 247 N PRO A 257 20.585 9.219 -3.181 1.00 3.69 N ATOM 248 CA PRO A 257 19.384 10.058 -3.075 1.00 3.32 C ATOM 249 C PRO A 257 18.100 9.234 -3.032 1.00 2.73 C ATOM 250 O PRO A 257 17.308 9.351 -2.096 1.00 3.02 O ATOM 251 CB PRO A 257 19.428 10.912 -4.345 1.00 3.67 C ATOM 252 CG PRO A 257 20.864 10.936 -4.738 1.00 3.96 C ATOM 253 CD PRO A 257 21.426 9.603 -4.330 1.00 4.03 C ATOM 0 HA PRO A 257 19.379 10.641 -2.154 1.00 3.32 H new ATOM 0 HB2 PRO A 257 18.810 10.482 -5.133 1.00 3.67 H new ATOM 0 HB3 PRO A 257 19.052 11.918 -4.158 1.00 3.67 H new ATOM 0 HG2 PRO A 257 20.973 11.094 -5.811 1.00 3.96 H new ATOM 0 HG3 PRO A 257 21.391 11.751 -4.241 1.00 3.96 H new ATOM 0 HD2 PRO A 257 21.361 8.874 -5.138 1.00 4.03 H new ATOM 0 HD3 PRO A 257 22.477 9.677 -4.052 1.00 4.03 H new ATOM 261 N ARG A 258 17.901 8.398 -4.046 1.00 2.35 N ATOM 262 CA ARG A 258 16.714 7.553 -4.117 1.00 2.04 C ATOM 263 C ARG A 258 16.841 6.523 -5.236 1.00 1.45 C ATOM 264 O ARG A 258 16.872 5.319 -4.979 1.00 1.92 O ATOM 265 CB ARG A 258 15.461 8.409 -4.325 1.00 2.65 C ATOM 266 CG ARG A 258 14.163 7.646 -4.114 1.00 3.27 C ATOM 267 CD ARG A 258 13.762 7.626 -2.648 1.00 3.90 C ATOM 268 NE ARG A 258 12.635 6.726 -2.399 1.00 4.55 N ATOM 269 CZ ARG A 258 12.202 6.360 -1.186 1.00 5.20 C ATOM 270 NH1 ARG A 258 12.786 6.802 -0.070 1.00 5.43 N ATOM 271 NH2 ARG A 258 11.166 5.538 -1.087 1.00 5.94 N ATOM 0 H ARG A 258 18.545 8.288 -4.829 1.00 2.35 H new ATOM 0 HA ARG A 258 16.623 7.019 -3.171 1.00 2.04 H new ATOM 0 HB2 ARG A 258 15.491 9.256 -3.639 1.00 2.65 H new ATOM 0 HB3 ARG A 258 15.473 8.817 -5.336 1.00 2.65 H new ATOM 0 HG2 ARG A 258 13.369 8.105 -4.703 1.00 3.27 H new ATOM 0 HG3 ARG A 258 14.277 6.624 -4.475 1.00 3.27 H new ATOM 0 HD2 ARG A 258 14.614 7.315 -2.043 1.00 3.90 H new ATOM 0 HD3 ARG A 258 13.497 8.635 -2.331 1.00 3.90 H new ATOM 0 HE ARG A 258 12.143 6.350 -3.209 1.00 4.55 H new ATOM 0 HH11 ARG A 258 13.583 7.435 -0.128 1.00 5.43 H new ATOM 0 HH12 ARG A 258 12.435 6.506 0.841 1.00 5.43 H new ATOM 0 HH21 ARG A 258 10.708 5.191 -1.930 1.00 5.94 H new ATOM 0 HH22 ARG A 258 10.828 5.252 -0.168 1.00 5.94 H new ATOM 285 N ASN A 259 16.922 7.001 -6.477 1.00 1.02 N ATOM 286 CA ASN A 259 17.051 6.119 -7.633 1.00 0.62 C ATOM 287 C ASN A 259 15.891 5.128 -7.704 1.00 0.54 C ATOM 288 O ASN A 259 16.058 3.944 -7.404 1.00 0.60 O ATOM 289 CB ASN A 259 18.379 5.363 -7.573 1.00 0.99 C ATOM 290 CG ASN A 259 19.556 6.282 -7.313 1.00 1.32 C ATOM 291 OD1 ASN A 259 19.696 6.839 -6.225 1.00 2.06 O ATOM 292 ND2 ASN A 259 20.411 6.446 -8.317 1.00 1.81 N ATOM 0 H ASN A 259 16.900 7.995 -6.706 1.00 1.02 H new ATOM 0 HA ASN A 259 17.028 6.736 -8.531 1.00 0.62 H new ATOM 0 HB2 ASN A 259 18.330 4.609 -6.787 1.00 0.99 H new ATOM 0 HB3 ASN A 259 18.535 4.834 -8.513 1.00 0.99 H new ATOM 0 HD21 ASN A 259 21.222 7.054 -8.202 1.00 1.81 H new ATOM 0 HD22 ASN A 259 20.256 5.964 -9.203 1.00 1.81 H new ATOM 299 N PRO A 260 14.696 5.602 -8.101 1.00 0.48 N ATOM 300 CA PRO A 260 13.500 4.756 -8.210 1.00 0.48 C ATOM 301 C PRO A 260 13.734 3.531 -9.090 1.00 0.51 C ATOM 302 O PRO A 260 13.568 2.391 -8.644 1.00 0.51 O ATOM 303 CB PRO A 260 12.459 5.685 -8.843 1.00 0.61 C ATOM 304 CG PRO A 260 12.916 7.059 -8.496 1.00 0.57 C ATOM 305 CD PRO A 260 14.417 7.001 -8.470 1.00 0.51 C ATOM 0 HA PRO A 260 13.196 4.355 -7.243 1.00 0.48 H new ATOM 0 HB2 PRO A 260 12.409 5.546 -9.923 1.00 0.61 H new ATOM 0 HB3 PRO A 260 11.462 5.488 -8.449 1.00 0.61 H new ATOM 0 HG2 PRO A 260 12.566 7.784 -9.231 1.00 0.57 H new ATOM 0 HG3 PRO A 260 12.521 7.369 -7.529 1.00 0.57 H new ATOM 0 HD2 PRO A 260 14.846 7.255 -9.439 1.00 0.51 H new ATOM 0 HD3 PRO A 260 14.834 7.699 -7.744 1.00 0.51 H new ATOM 313 N SER A 261 14.133 3.767 -10.339 1.00 0.61 N ATOM 314 CA SER A 261 14.400 2.681 -11.281 1.00 0.72 C ATOM 315 C SER A 261 15.805 2.119 -11.078 1.00 0.71 C ATOM 316 O SER A 261 16.657 2.225 -11.959 1.00 0.81 O ATOM 317 CB SER A 261 14.238 3.175 -12.720 1.00 0.84 C ATOM 318 OG SER A 261 12.914 3.620 -12.961 1.00 0.89 O ATOM 0 H SER A 261 14.279 4.701 -10.722 1.00 0.61 H new ATOM 0 HA SER A 261 13.679 1.885 -11.095 1.00 0.72 H new ATOM 0 HB2 SER A 261 14.938 3.988 -12.910 1.00 0.84 H new ATOM 0 HB3 SER A 261 14.487 2.372 -13.414 1.00 0.84 H new ATOM 0 HG SER A 261 12.837 3.932 -13.887 1.00 0.89 H new ATOM 324 N MET A 262 16.024 1.518 -9.912 1.00 0.65 N ATOM 325 CA MET A 262 17.308 0.923 -9.551 1.00 0.70 C ATOM 326 C MET A 262 17.146 0.092 -8.285 1.00 0.61 C ATOM 327 O MET A 262 17.547 -1.071 -8.237 1.00 0.89 O ATOM 328 CB MET A 262 18.371 2.003 -9.321 1.00 0.83 C ATOM 329 CG MET A 262 19.174 2.358 -10.563 1.00 0.97 C ATOM 330 SD MET A 262 20.953 2.239 -10.297 1.00 1.21 S ATOM 331 CE MET A 262 21.274 0.582 -10.896 1.00 1.84 C ATOM 0 H MET A 262 15.312 1.429 -9.187 1.00 0.65 H new ATOM 0 HA MET A 262 17.635 0.288 -10.374 1.00 0.70 H new ATOM 0 HB2 MET A 262 17.884 2.903 -8.947 1.00 0.83 H new ATOM 0 HB3 MET A 262 19.056 1.664 -8.543 1.00 0.83 H new ATOM 0 HG2 MET A 262 18.887 1.694 -11.378 1.00 0.97 H new ATOM 0 HG3 MET A 262 18.924 3.372 -10.875 1.00 0.97 H new ATOM 0 HE1 MET A 262 22.336 0.359 -10.797 1.00 1.84 H new ATOM 0 HE2 MET A 262 20.697 -0.134 -10.311 1.00 1.84 H new ATOM 0 HE3 MET A 262 20.984 0.512 -11.944 1.00 1.84 H new ATOM 341 N ALA A 263 16.541 0.705 -7.268 1.00 0.50 N ATOM 342 CA ALA A 263 16.301 0.036 -5.995 1.00 0.42 C ATOM 343 C ALA A 263 14.855 0.218 -5.515 1.00 0.61 C ATOM 344 O ALA A 263 14.596 0.182 -4.312 1.00 1.62 O ATOM 345 CB ALA A 263 17.272 0.553 -4.944 1.00 0.73 C ATOM 0 H ALA A 263 16.208 1.668 -7.304 1.00 0.50 H new ATOM 0 HA ALA A 263 16.463 -1.031 -6.147 1.00 0.42 H new ATOM 0 HB1 ALA A 263 17.085 0.048 -3.996 1.00 0.73 H new ATOM 0 HB2 ALA A 263 18.295 0.356 -5.265 1.00 0.73 H new ATOM 0 HB3 ALA A 263 17.132 1.626 -4.816 1.00 0.73 H new ATOM 351 N ASP A 264 13.912 0.407 -6.450 1.00 0.35 N ATOM 352 CA ASP A 264 12.506 0.581 -6.094 1.00 0.35 C ATOM 353 C ASP A 264 11.610 -0.210 -7.041 1.00 0.28 C ATOM 354 O ASP A 264 10.865 -1.093 -6.615 1.00 0.49 O ATOM 355 CB ASP A 264 12.127 2.062 -6.131 1.00 0.77 C ATOM 356 CG ASP A 264 11.231 2.459 -4.975 1.00 1.14 C ATOM 357 OD1 ASP A 264 10.010 2.209 -5.058 1.00 1.96 O ATOM 358 OD2 ASP A 264 11.749 3.020 -3.987 1.00 1.82 O ATOM 0 H ASP A 264 14.101 0.442 -7.452 1.00 0.35 H new ATOM 0 HA ASP A 264 12.361 0.204 -5.081 1.00 0.35 H new ATOM 0 HB2 ASP A 264 13.034 2.667 -6.109 1.00 0.77 H new ATOM 0 HB3 ASP A 264 11.621 2.281 -7.071 1.00 0.77 H new ATOM 363 N TYR A 265 11.692 0.107 -8.328 1.00 0.31 N ATOM 364 CA TYR A 265 10.894 -0.578 -9.339 1.00 0.34 C ATOM 365 C TYR A 265 11.383 -2.008 -9.540 1.00 0.29 C ATOM 366 O TYR A 265 10.618 -2.963 -9.402 1.00 0.28 O ATOM 367 CB TYR A 265 10.953 0.185 -10.665 1.00 0.45 C ATOM 368 CG TYR A 265 10.835 -0.703 -11.885 1.00 0.41 C ATOM 369 CD1 TYR A 265 9.668 -1.409 -12.148 1.00 1.28 C ATOM 370 CD2 TYR A 265 11.896 -0.835 -12.772 1.00 1.25 C ATOM 371 CE1 TYR A 265 9.562 -2.223 -13.260 1.00 1.30 C ATOM 372 CE2 TYR A 265 11.797 -1.645 -13.887 1.00 1.31 C ATOM 373 CZ TYR A 265 10.629 -2.337 -14.126 1.00 0.62 C ATOM 374 OH TYR A 265 10.527 -3.146 -15.235 1.00 0.79 O ATOM 0 H TYR A 265 12.304 0.835 -8.697 1.00 0.31 H new ATOM 0 HA TYR A 265 9.861 -0.612 -8.992 1.00 0.34 H new ATOM 0 HB2 TYR A 265 10.151 0.923 -10.685 1.00 0.45 H new ATOM 0 HB3 TYR A 265 11.893 0.734 -10.716 1.00 0.45 H new ATOM 0 HD1 TYR A 265 8.830 -1.320 -11.473 1.00 1.28 H new ATOM 0 HD2 TYR A 265 12.813 -0.296 -12.587 1.00 1.25 H new ATOM 0 HE1 TYR A 265 8.648 -2.767 -13.450 1.00 1.30 H new ATOM 0 HE2 TYR A 265 12.630 -1.736 -14.568 1.00 1.31 H new ATOM 0 HH TYR A 265 11.365 -3.114 -15.741 1.00 0.79 H new ATOM 384 N GLU A 266 12.664 -2.145 -9.860 1.00 0.31 N ATOM 385 CA GLU A 266 13.271 -3.447 -10.080 1.00 0.31 C ATOM 386 C GLU A 266 13.457 -4.196 -8.766 1.00 0.27 C ATOM 387 O GLU A 266 13.350 -5.422 -8.729 1.00 0.28 O ATOM 388 CB GLU A 266 14.619 -3.290 -10.783 1.00 0.38 C ATOM 389 CG GLU A 266 14.499 -2.929 -12.254 1.00 0.45 C ATOM 390 CD GLU A 266 15.727 -3.322 -13.053 1.00 0.56 C ATOM 391 OE1 GLU A 266 16.070 -4.523 -13.060 1.00 1.20 O ATOM 392 OE2 GLU A 266 16.344 -2.429 -13.670 1.00 1.27 O ATOM 0 H GLU A 266 13.306 -1.360 -9.973 1.00 0.31 H new ATOM 0 HA GLU A 266 12.600 -4.027 -10.714 1.00 0.31 H new ATOM 0 HB2 GLU A 266 15.197 -2.519 -10.274 1.00 0.38 H new ATOM 0 HB3 GLU A 266 15.178 -4.221 -10.690 1.00 0.38 H new ATOM 0 HG2 GLU A 266 13.623 -3.422 -12.675 1.00 0.45 H new ATOM 0 HG3 GLU A 266 14.337 -1.855 -12.349 1.00 0.45 H new ATOM 399 N ALA A 267 13.738 -3.471 -7.687 1.00 0.30 N ATOM 400 CA ALA A 267 13.936 -4.099 -6.391 1.00 0.31 C ATOM 401 C ALA A 267 12.656 -4.768 -5.890 1.00 0.26 C ATOM 402 O ALA A 267 12.658 -5.949 -5.525 1.00 0.29 O ATOM 403 CB ALA A 267 14.430 -3.076 -5.380 1.00 0.37 C ATOM 0 H ALA A 267 13.833 -2.455 -7.687 1.00 0.30 H new ATOM 0 HA ALA A 267 14.691 -4.876 -6.509 1.00 0.31 H new ATOM 0 HB1 ALA A 267 14.574 -3.560 -4.414 1.00 0.37 H new ATOM 0 HB2 ALA A 267 15.376 -2.656 -5.720 1.00 0.37 H new ATOM 0 HB3 ALA A 267 13.694 -2.278 -5.280 1.00 0.37 H new ATOM 409 N ARG A 268 11.562 -4.008 -5.878 1.00 0.27 N ATOM 410 CA ARG A 268 10.276 -4.527 -5.422 1.00 0.27 C ATOM 411 C ARG A 268 9.872 -5.733 -6.252 1.00 0.23 C ATOM 412 O ARG A 268 9.687 -6.824 -5.719 1.00 0.24 O ATOM 413 CB ARG A 268 9.202 -3.444 -5.508 1.00 0.35 C ATOM 414 CG ARG A 268 9.325 -2.379 -4.430 1.00 0.57 C ATOM 415 CD ARG A 268 9.089 -2.956 -3.043 1.00 0.71 C ATOM 416 NE ARG A 268 10.246 -2.769 -2.169 1.00 0.98 N ATOM 417 CZ ARG A 268 10.669 -1.587 -1.700 1.00 0.98 C ATOM 418 NH1 ARG A 268 10.043 -0.448 -2.006 1.00 1.18 N ATOM 419 NH2 ARG A 268 11.735 -1.544 -0.913 1.00 1.79 N ATOM 0 H ARG A 268 11.541 -3.033 -6.178 1.00 0.27 H new ATOM 0 HA ARG A 268 10.376 -4.835 -4.381 1.00 0.27 H new ATOM 0 HB2 ARG A 268 9.256 -2.967 -6.486 1.00 0.35 H new ATOM 0 HB3 ARG A 268 8.220 -3.911 -5.435 1.00 0.35 H new ATOM 0 HG2 ARG A 268 10.317 -1.929 -4.474 1.00 0.57 H new ATOM 0 HG3 ARG A 268 8.605 -1.583 -4.621 1.00 0.57 H new ATOM 0 HD2 ARG A 268 8.216 -2.480 -2.596 1.00 0.71 H new ATOM 0 HD3 ARG A 268 8.865 -4.020 -3.126 1.00 0.71 H new ATOM 0 HE ARG A 268 10.770 -3.600 -1.896 1.00 0.98 H new ATOM 0 HH11 ARG A 268 9.222 -0.464 -2.610 1.00 1.18 H new ATOM 0 HH12 ARG A 268 10.386 0.438 -1.635 1.00 1.18 H new ATOM 0 HH21 ARG A 268 12.225 -2.405 -0.670 1.00 1.79 H new ATOM 0 HH22 ARG A 268 12.066 -0.650 -0.550 1.00 1.79 H new ATOM 433 N ILE A 269 9.754 -5.517 -7.559 1.00 0.24 N ATOM 434 CA ILE A 269 9.395 -6.563 -8.507 1.00 0.25 C ATOM 435 C ILE A 269 10.261 -7.803 -8.333 1.00 0.23 C ATOM 436 O ILE A 269 9.757 -8.925 -8.345 1.00 0.29 O ATOM 437 CB ILE A 269 9.564 -6.011 -9.921 1.00 0.29 C ATOM 438 CG1 ILE A 269 8.267 -5.359 -10.364 1.00 0.35 C ATOM 439 CG2 ILE A 269 10.017 -7.069 -10.919 1.00 0.32 C ATOM 440 CD1 ILE A 269 7.312 -6.331 -10.998 1.00 0.60 C ATOM 0 H ILE A 269 9.906 -4.606 -7.991 1.00 0.24 H new ATOM 0 HA ILE A 269 8.361 -6.859 -8.328 1.00 0.25 H new ATOM 0 HB ILE A 269 10.359 -5.266 -9.896 1.00 0.29 H new ATOM 0 HG12 ILE A 269 7.787 -4.895 -9.503 1.00 0.35 H new ATOM 0 HG13 ILE A 269 8.490 -4.562 -11.073 1.00 0.35 H new ATOM 0 HG21 ILE A 269 10.120 -6.618 -11.906 1.00 0.32 H new ATOM 0 HG22 ILE A 269 10.977 -7.478 -10.605 1.00 0.32 H new ATOM 0 HG23 ILE A 269 9.278 -7.869 -10.961 1.00 0.32 H new ATOM 0 HD11 ILE A 269 6.403 -5.807 -11.294 1.00 0.60 H new ATOM 0 HD12 ILE A 269 7.777 -6.777 -11.877 1.00 0.60 H new ATOM 0 HD13 ILE A 269 7.062 -7.115 -10.283 1.00 0.60 H new ATOM 452 N PHE A 270 11.561 -7.582 -8.165 1.00 0.19 N ATOM 453 CA PHE A 270 12.509 -8.668 -7.970 1.00 0.21 C ATOM 454 C PHE A 270 12.088 -9.534 -6.789 1.00 0.21 C ATOM 455 O PHE A 270 12.313 -10.744 -6.791 1.00 0.29 O ATOM 456 CB PHE A 270 13.919 -8.119 -7.743 1.00 0.26 C ATOM 457 CG PHE A 270 14.925 -9.177 -7.390 1.00 0.46 C ATOM 458 CD1 PHE A 270 15.292 -10.139 -8.317 1.00 1.22 C ATOM 459 CD2 PHE A 270 15.503 -9.209 -6.131 1.00 1.33 C ATOM 460 CE1 PHE A 270 16.217 -11.114 -7.995 1.00 1.35 C ATOM 461 CE2 PHE A 270 16.429 -10.182 -5.803 1.00 1.53 C ATOM 462 CZ PHE A 270 16.786 -11.136 -6.736 1.00 1.05 C ATOM 0 H PHE A 270 11.982 -6.653 -8.160 1.00 0.19 H new ATOM 0 HA PHE A 270 12.516 -9.281 -8.871 1.00 0.21 H new ATOM 0 HB2 PHE A 270 14.248 -7.602 -8.644 1.00 0.26 H new ATOM 0 HB3 PHE A 270 13.887 -7.378 -6.944 1.00 0.26 H new ATOM 0 HD1 PHE A 270 14.850 -10.127 -9.302 1.00 1.22 H new ATOM 0 HD2 PHE A 270 15.227 -8.466 -5.398 1.00 1.33 H new ATOM 0 HE1 PHE A 270 16.495 -11.858 -8.727 1.00 1.35 H new ATOM 0 HE2 PHE A 270 16.873 -10.196 -4.818 1.00 1.53 H new ATOM 0 HZ PHE A 270 17.508 -11.898 -6.482 1.00 1.05 H new ATOM 472 N THR A 271 11.449 -8.922 -5.786 1.00 0.19 N ATOM 473 CA THR A 271 10.989 -9.678 -4.639 1.00 0.21 C ATOM 474 C THR A 271 9.691 -10.415 -4.958 1.00 0.24 C ATOM 475 O THR A 271 9.450 -11.497 -4.424 1.00 0.36 O ATOM 476 CB THR A 271 10.783 -8.794 -3.390 1.00 0.22 C ATOM 477 OG1 THR A 271 9.510 -8.140 -3.443 1.00 0.22 O ATOM 478 CG2 THR A 271 11.888 -7.754 -3.264 1.00 0.29 C ATOM 0 H THR A 271 11.246 -7.923 -5.753 1.00 0.19 H new ATOM 0 HA THR A 271 11.775 -10.399 -4.413 1.00 0.21 H new ATOM 0 HB THR A 271 10.817 -9.444 -2.516 1.00 0.22 H new ATOM 0 HG1 THR A 271 9.475 -7.555 -4.229 1.00 0.22 H new ATOM 0 HG21 THR A 271 11.716 -7.146 -2.375 1.00 0.29 H new ATOM 0 HG22 THR A 271 12.852 -8.256 -3.180 1.00 0.29 H new ATOM 0 HG23 THR A 271 11.888 -7.114 -4.147 1.00 0.29 H new ATOM 486 N PHE A 272 8.852 -9.853 -5.840 1.00 0.23 N ATOM 487 CA PHE A 272 7.604 -10.525 -6.186 1.00 0.29 C ATOM 488 C PHE A 272 7.871 -11.674 -7.153 1.00 0.38 C ATOM 489 O PHE A 272 7.578 -12.833 -6.856 1.00 0.57 O ATOM 490 CB PHE A 272 6.614 -9.533 -6.789 1.00 0.28 C ATOM 491 CG PHE A 272 6.089 -8.542 -5.791 1.00 0.24 C ATOM 492 CD1 PHE A 272 5.053 -8.881 -4.935 1.00 1.20 C ATOM 493 CD2 PHE A 272 6.627 -7.268 -5.713 1.00 1.21 C ATOM 494 CE1 PHE A 272 4.566 -7.967 -4.020 1.00 1.22 C ATOM 495 CE2 PHE A 272 6.145 -6.350 -4.800 1.00 1.21 C ATOM 496 CZ PHE A 272 5.114 -6.700 -3.952 1.00 0.29 C ATOM 0 H PHE A 272 9.012 -8.962 -6.311 1.00 0.23 H new ATOM 0 HA PHE A 272 7.166 -10.936 -5.276 1.00 0.29 H new ATOM 0 HB2 PHE A 272 7.099 -8.996 -7.604 1.00 0.28 H new ATOM 0 HB3 PHE A 272 5.777 -10.082 -7.221 1.00 0.28 H new ATOM 0 HD1 PHE A 272 4.622 -9.870 -4.984 1.00 1.20 H new ATOM 0 HD2 PHE A 272 7.434 -6.989 -6.374 1.00 1.21 H new ATOM 0 HE1 PHE A 272 3.758 -8.243 -3.359 1.00 1.22 H new ATOM 0 HE2 PHE A 272 6.574 -5.360 -4.750 1.00 1.21 H new ATOM 0 HZ PHE A 272 4.736 -5.985 -3.236 1.00 0.29 H new ATOM 506 N GLY A 273 8.443 -11.333 -8.302 1.00 0.50 N ATOM 507 CA GLY A 273 8.774 -12.320 -9.318 1.00 0.60 C ATOM 508 C GLY A 273 8.041 -12.083 -10.623 1.00 0.74 C ATOM 509 O GLY A 273 7.086 -11.307 -10.671 1.00 1.61 O ATOM 0 H GLY A 273 8.687 -10.375 -8.552 1.00 0.50 H new ATOM 0 HA2 GLY A 273 9.848 -12.301 -9.501 1.00 0.60 H new ATOM 0 HA3 GLY A 273 8.531 -13.315 -8.945 1.00 0.60 H new ATOM 513 N THR A 274 8.484 -12.767 -11.680 1.00 0.70 N ATOM 514 CA THR A 274 7.857 -12.652 -12.997 1.00 0.71 C ATOM 515 C THR A 274 6.354 -12.948 -12.933 1.00 0.80 C ATOM 516 O THR A 274 5.580 -12.413 -13.728 1.00 1.61 O ATOM 517 CB THR A 274 8.511 -13.607 -14.013 1.00 0.80 C ATOM 518 OG1 THR A 274 9.900 -13.773 -13.706 1.00 0.96 O ATOM 519 CG2 THR A 274 8.361 -13.075 -15.430 1.00 0.85 C ATOM 0 H THR A 274 9.277 -13.408 -11.648 1.00 0.70 H new ATOM 0 HA THR A 274 8.004 -11.622 -13.323 1.00 0.71 H new ATOM 0 HB THR A 274 8.007 -14.571 -13.948 1.00 0.80 H new ATOM 0 HG1 THR A 274 10.308 -14.383 -14.356 1.00 0.96 H new ATOM 0 HG21 THR A 274 8.831 -13.766 -16.130 1.00 0.85 H new ATOM 0 HG22 THR A 274 7.303 -12.977 -15.672 1.00 0.85 H new ATOM 0 HG23 THR A 274 8.842 -12.100 -15.505 1.00 0.85 H new ATOM 527 N TRP A 275 5.959 -13.800 -11.975 1.00 0.47 N ATOM 528 CA TRP A 275 4.567 -14.184 -11.763 1.00 0.42 C ATOM 529 C TRP A 275 3.658 -12.946 -11.685 1.00 0.37 C ATOM 530 O TRP A 275 4.129 -11.846 -11.410 1.00 0.36 O ATOM 531 CB TRP A 275 4.510 -15.018 -10.480 1.00 0.42 C ATOM 532 CG TRP A 275 3.162 -15.134 -9.859 1.00 0.37 C ATOM 533 CD1 TRP A 275 2.112 -15.878 -10.312 1.00 0.41 C ATOM 534 CD2 TRP A 275 2.726 -14.503 -8.653 1.00 0.31 C ATOM 535 NE1 TRP A 275 1.042 -15.744 -9.464 1.00 0.37 N ATOM 536 CE2 TRP A 275 1.392 -14.906 -8.439 1.00 0.31 C ATOM 537 CE3 TRP A 275 3.329 -13.632 -7.731 1.00 0.28 C ATOM 538 CZ2 TRP A 275 0.652 -14.475 -7.347 1.00 0.27 C ATOM 539 CZ3 TRP A 275 2.584 -13.208 -6.649 1.00 0.24 C ATOM 540 CH2 TRP A 275 1.261 -13.629 -6.467 1.00 0.24 C ATOM 0 H TRP A 275 6.607 -14.242 -11.323 1.00 0.47 H new ATOM 0 HA TRP A 275 4.200 -14.775 -12.602 1.00 0.42 H new ATOM 0 HB2 TRP A 275 4.878 -16.020 -10.700 1.00 0.42 H new ATOM 0 HB3 TRP A 275 5.192 -14.581 -9.751 1.00 0.42 H new ATOM 0 HD1 TRP A 275 2.122 -16.483 -11.206 1.00 0.41 H new ATOM 0 HE1 TRP A 275 0.134 -16.195 -9.578 1.00 0.37 H new ATOM 0 HE3 TRP A 275 4.349 -13.303 -7.865 1.00 0.28 H new ATOM 0 HZ2 TRP A 275 -0.368 -14.797 -7.199 1.00 0.27 H new ATOM 0 HZ3 TRP A 275 3.030 -12.538 -5.929 1.00 0.24 H new ATOM 0 HH2 TRP A 275 0.709 -13.275 -5.609 1.00 0.24 H new ATOM 551 N ILE A 276 2.365 -13.127 -11.959 1.00 0.38 N ATOM 552 CA ILE A 276 1.410 -12.020 -11.952 1.00 0.35 C ATOM 553 C ILE A 276 0.025 -12.486 -11.501 1.00 0.39 C ATOM 554 O ILE A 276 -0.226 -13.685 -11.384 1.00 0.64 O ATOM 555 CB ILE A 276 1.312 -11.378 -13.356 1.00 0.39 C ATOM 556 CG1 ILE A 276 0.976 -9.886 -13.262 1.00 0.47 C ATOM 557 CG2 ILE A 276 0.277 -12.103 -14.205 1.00 0.64 C ATOM 558 CD1 ILE A 276 1.680 -9.042 -14.301 1.00 0.99 C ATOM 0 H ILE A 276 1.955 -14.032 -12.189 1.00 0.38 H new ATOM 0 HA ILE A 276 1.773 -11.277 -11.242 1.00 0.35 H new ATOM 0 HB ILE A 276 2.286 -11.474 -13.835 1.00 0.39 H new ATOM 0 HG12 ILE A 276 -0.101 -9.757 -13.370 1.00 0.47 H new ATOM 0 HG13 ILE A 276 1.243 -9.523 -12.269 1.00 0.47 H new ATOM 0 HG21 ILE A 276 0.222 -11.637 -15.189 1.00 0.64 H new ATOM 0 HG22 ILE A 276 0.564 -13.149 -14.314 1.00 0.64 H new ATOM 0 HG23 ILE A 276 -0.698 -12.043 -13.721 1.00 0.64 H new ATOM 0 HD11 ILE A 276 1.395 -7.997 -14.175 1.00 0.99 H new ATOM 0 HD12 ILE A 276 2.759 -9.141 -14.180 1.00 0.99 H new ATOM 0 HD13 ILE A 276 1.394 -9.378 -15.298 1.00 0.99 H new ATOM 570 N TYR A 277 -0.864 -11.531 -11.222 1.00 0.29 N ATOM 571 CA TYR A 277 -2.207 -11.853 -10.754 1.00 0.31 C ATOM 572 C TYR A 277 -3.229 -10.835 -11.261 1.00 0.38 C ATOM 573 O TYR A 277 -4.248 -11.211 -11.840 1.00 0.84 O ATOM 574 CB TYR A 277 -2.237 -11.911 -9.217 1.00 0.31 C ATOM 575 CG TYR A 277 -1.187 -11.046 -8.540 1.00 0.28 C ATOM 576 CD1 TYR A 277 0.143 -11.447 -8.477 1.00 1.23 C ATOM 577 CD2 TYR A 277 -1.525 -9.824 -7.975 1.00 1.19 C ATOM 578 CE1 TYR A 277 1.099 -10.665 -7.879 1.00 1.22 C ATOM 579 CE2 TYR A 277 -0.569 -9.032 -7.367 1.00 1.21 C ATOM 580 CZ TYR A 277 0.743 -9.457 -7.322 1.00 0.27 C ATOM 581 OH TYR A 277 1.699 -8.672 -6.720 1.00 0.29 O ATOM 0 H TYR A 277 -0.676 -10.533 -11.313 1.00 0.29 H new ATOM 0 HA TYR A 277 -2.476 -12.831 -11.153 1.00 0.31 H new ATOM 0 HB2 TYR A 277 -3.224 -11.602 -8.872 1.00 0.31 H new ATOM 0 HB3 TYR A 277 -2.099 -12.945 -8.901 1.00 0.31 H new ATOM 0 HD1 TYR A 277 0.430 -12.395 -8.908 1.00 1.23 H new ATOM 0 HD2 TYR A 277 -2.550 -9.487 -8.011 1.00 1.19 H new ATOM 0 HE1 TYR A 277 2.127 -10.996 -7.845 1.00 1.22 H new ATOM 0 HE2 TYR A 277 -0.848 -8.085 -6.929 1.00 1.21 H new ATOM 0 HH TYR A 277 2.506 -9.205 -6.559 1.00 0.29 H new ATOM 591 N SER A 278 -2.950 -9.549 -11.037 1.00 0.49 N ATOM 592 CA SER A 278 -3.848 -8.477 -11.471 1.00 0.53 C ATOM 593 C SER A 278 -3.089 -7.404 -12.256 1.00 0.46 C ATOM 594 O SER A 278 -3.217 -7.322 -13.478 1.00 0.61 O ATOM 595 CB SER A 278 -4.552 -7.852 -10.264 1.00 0.55 C ATOM 596 OG SER A 278 -3.616 -7.439 -9.283 1.00 1.36 O ATOM 0 H SER A 278 -2.110 -9.225 -10.558 1.00 0.49 H new ATOM 0 HA SER A 278 -4.598 -8.912 -12.132 1.00 0.53 H new ATOM 0 HB2 SER A 278 -5.145 -6.997 -10.588 1.00 0.55 H new ATOM 0 HB3 SER A 278 -5.244 -8.573 -9.829 1.00 0.55 H new ATOM 0 HG SER A 278 -4.092 -7.042 -8.524 1.00 1.36 H new ATOM 602 N VAL A 279 -2.293 -6.595 -11.551 1.00 0.35 N ATOM 603 CA VAL A 279 -1.506 -5.538 -12.183 1.00 0.40 C ATOM 604 C VAL A 279 -0.026 -5.787 -11.953 1.00 0.55 C ATOM 605 O VAL A 279 0.340 -6.713 -11.226 1.00 1.39 O ATOM 606 CB VAL A 279 -1.882 -4.134 -11.635 1.00 0.36 C ATOM 607 CG1 VAL A 279 -3.339 -4.112 -11.192 1.00 0.50 C ATOM 608 CG2 VAL A 279 -0.963 -3.694 -10.488 1.00 0.47 C ATOM 0 H VAL A 279 -2.178 -6.654 -10.539 1.00 0.35 H new ATOM 0 HA VAL A 279 -1.727 -5.557 -13.250 1.00 0.40 H new ATOM 0 HB VAL A 279 -1.745 -3.420 -12.447 1.00 0.36 H new ATOM 0 HG11 VAL A 279 -3.588 -3.122 -10.810 1.00 0.50 H new ATOM 0 HG12 VAL A 279 -3.981 -4.346 -12.041 1.00 0.50 H new ATOM 0 HG13 VAL A 279 -3.492 -4.853 -10.407 1.00 0.50 H new ATOM 0 HG21 VAL A 279 -1.265 -2.707 -10.138 1.00 0.47 H new ATOM 0 HG22 VAL A 279 -1.037 -4.408 -9.668 1.00 0.47 H new ATOM 0 HG23 VAL A 279 0.067 -3.654 -10.842 1.00 0.47 H new ATOM 618 N ASN A 280 0.819 -4.953 -12.549 1.00 0.42 N ATOM 619 CA ASN A 280 2.253 -5.082 -12.368 1.00 0.36 C ATOM 620 C ASN A 280 2.587 -4.968 -10.885 1.00 0.26 C ATOM 621 O ASN A 280 2.166 -4.015 -10.215 1.00 0.26 O ATOM 622 CB ASN A 280 2.996 -4.006 -13.163 1.00 0.43 C ATOM 623 CG ASN A 280 2.662 -4.044 -14.641 1.00 0.71 C ATOM 624 OD1 ASN A 280 1.728 -3.384 -15.096 1.00 1.41 O ATOM 625 ND2 ASN A 280 3.427 -4.820 -15.400 1.00 1.36 N ATOM 0 H ASN A 280 0.534 -4.186 -13.158 1.00 0.42 H new ATOM 0 HA ASN A 280 2.572 -6.057 -12.737 1.00 0.36 H new ATOM 0 HB2 ASN A 280 2.745 -3.024 -12.762 1.00 0.43 H new ATOM 0 HB3 ASN A 280 4.070 -4.139 -13.033 1.00 0.43 H new ATOM 0 HD21 ASN A 280 3.251 -4.886 -16.402 1.00 1.36 H new ATOM 0 HD22 ASN A 280 4.191 -5.350 -14.981 1.00 1.36 H new ATOM 632 N LYS A 281 3.323 -5.954 -10.375 1.00 0.25 N ATOM 633 CA LYS A 281 3.706 -5.980 -8.963 1.00 0.24 C ATOM 634 C LYS A 281 4.352 -4.663 -8.533 1.00 0.19 C ATOM 635 O LYS A 281 4.197 -4.240 -7.387 1.00 0.21 O ATOM 636 CB LYS A 281 4.644 -7.147 -8.666 1.00 0.33 C ATOM 637 CG LYS A 281 4.121 -8.499 -9.128 1.00 0.62 C ATOM 638 CD LYS A 281 5.155 -9.242 -9.961 1.00 0.55 C ATOM 639 CE LYS A 281 5.056 -8.893 -11.441 1.00 0.90 C ATOM 640 NZ LYS A 281 3.715 -9.201 -12.005 1.00 1.41 N ATOM 0 H LYS A 281 3.667 -6.746 -10.918 1.00 0.25 H new ATOM 0 HA LYS A 281 2.791 -6.115 -8.386 1.00 0.24 H new ATOM 0 HB2 LYS A 281 5.604 -6.958 -9.146 1.00 0.33 H new ATOM 0 HB3 LYS A 281 4.827 -7.188 -7.592 1.00 0.33 H new ATOM 0 HG2 LYS A 281 3.850 -9.101 -8.261 1.00 0.62 H new ATOM 0 HG3 LYS A 281 3.213 -8.358 -9.714 1.00 0.62 H new ATOM 0 HD2 LYS A 281 6.154 -9.000 -9.598 1.00 0.55 H new ATOM 0 HD3 LYS A 281 5.020 -10.316 -9.832 1.00 0.55 H new ATOM 0 HE2 LYS A 281 5.270 -7.833 -11.577 1.00 0.90 H new ATOM 0 HE3 LYS A 281 5.816 -9.445 -11.994 1.00 0.90 H new ATOM 0 HZ1 LYS A 281 3.807 -9.929 -12.742 1.00 1.41 H new ATOM 0 HZ2 LYS A 281 3.092 -9.551 -11.249 1.00 1.41 H new ATOM 0 HZ3 LYS A 281 3.306 -8.339 -12.419 1.00 1.41 H new ATOM 654 N GLU A 282 5.047 -4.002 -9.459 1.00 0.20 N ATOM 655 CA GLU A 282 5.671 -2.711 -9.161 1.00 0.23 C ATOM 656 C GLU A 282 4.621 -1.709 -8.711 1.00 0.23 C ATOM 657 O GLU A 282 4.830 -0.980 -7.740 1.00 0.28 O ATOM 658 CB GLU A 282 6.449 -2.120 -10.347 1.00 0.30 C ATOM 659 CG GLU A 282 5.962 -2.515 -11.730 1.00 0.34 C ATOM 660 CD GLU A 282 6.121 -1.406 -12.753 1.00 0.49 C ATOM 661 OE1 GLU A 282 5.792 -0.245 -12.429 1.00 1.21 O ATOM 662 OE2 GLU A 282 6.569 -1.698 -13.881 1.00 1.27 O ATOM 0 H GLU A 282 5.192 -4.334 -10.413 1.00 0.20 H new ATOM 0 HA GLU A 282 6.389 -2.902 -8.363 1.00 0.23 H new ATOM 0 HB2 GLU A 282 6.418 -1.033 -10.270 1.00 0.30 H new ATOM 0 HB3 GLU A 282 7.494 -2.416 -10.254 1.00 0.30 H new ATOM 0 HG2 GLU A 282 6.513 -3.394 -12.066 1.00 0.34 H new ATOM 0 HG3 GLU A 282 4.912 -2.800 -11.672 1.00 0.34 H new ATOM 669 N GLN A 283 3.485 -1.687 -9.403 1.00 0.19 N ATOM 670 CA GLN A 283 2.399 -0.784 -9.044 1.00 0.20 C ATOM 671 C GLN A 283 1.943 -1.080 -7.620 1.00 0.18 C ATOM 672 O GLN A 283 1.771 -0.169 -6.803 1.00 0.19 O ATOM 673 CB GLN A 283 1.227 -0.939 -10.015 1.00 0.22 C ATOM 674 CG GLN A 283 0.421 0.335 -10.205 1.00 0.28 C ATOM 675 CD GLN A 283 -0.475 0.281 -11.428 1.00 0.71 C ATOM 676 OE1 GLN A 283 -0.120 0.781 -12.494 1.00 1.51 O ATOM 677 NE2 GLN A 283 -1.645 -0.329 -11.278 1.00 1.45 N ATOM 0 H GLN A 283 3.294 -2.281 -10.210 1.00 0.19 H new ATOM 0 HA GLN A 283 2.758 0.243 -9.104 1.00 0.20 H new ATOM 0 HB2 GLN A 283 1.609 -1.265 -10.983 1.00 0.22 H new ATOM 0 HB3 GLN A 283 0.566 -1.726 -9.651 1.00 0.22 H new ATOM 0 HG2 GLN A 283 -0.190 0.510 -9.319 1.00 0.28 H new ATOM 0 HG3 GLN A 283 1.102 1.181 -10.295 1.00 0.28 H new ATOM 0 HE21 GLN A 283 -1.899 -0.730 -10.375 1.00 1.45 H new ATOM 0 HE22 GLN A 283 -2.290 -0.397 -12.066 1.00 1.45 H new ATOM 686 N LEU A 284 1.774 -2.369 -7.326 1.00 0.16 N ATOM 687 CA LEU A 284 1.366 -2.799 -5.994 1.00 0.17 C ATOM 688 C LEU A 284 2.369 -2.318 -4.948 1.00 0.18 C ATOM 689 O LEU A 284 1.987 -1.829 -3.885 1.00 0.22 O ATOM 690 CB LEU A 284 1.250 -4.324 -5.934 1.00 0.18 C ATOM 691 CG LEU A 284 -0.080 -4.896 -6.423 1.00 0.17 C ATOM 692 CD1 LEU A 284 0.132 -5.740 -7.669 1.00 0.20 C ATOM 693 CD2 LEU A 284 -0.741 -5.720 -5.328 1.00 0.21 C ATOM 0 H LEU A 284 1.913 -3.129 -7.991 1.00 0.16 H new ATOM 0 HA LEU A 284 0.391 -2.361 -5.780 1.00 0.17 H new ATOM 0 HB2 LEU A 284 2.054 -4.757 -6.529 1.00 0.18 H new ATOM 0 HB3 LEU A 284 1.408 -4.644 -4.904 1.00 0.18 H new ATOM 0 HG LEU A 284 -0.741 -4.066 -6.675 1.00 0.17 H new ATOM 0 HD11 LEU A 284 -0.825 -6.140 -8.005 1.00 0.20 H new ATOM 0 HD12 LEU A 284 0.564 -5.123 -8.457 1.00 0.20 H new ATOM 0 HD13 LEU A 284 0.809 -6.563 -7.440 1.00 0.20 H new ATOM 0 HD21 LEU A 284 -1.687 -6.119 -5.694 1.00 0.21 H new ATOM 0 HD22 LEU A 284 -0.085 -6.543 -5.046 1.00 0.21 H new ATOM 0 HD23 LEU A 284 -0.926 -5.089 -4.459 1.00 0.21 H new ATOM 705 N ALA A 285 3.655 -2.462 -5.261 1.00 0.19 N ATOM 706 CA ALA A 285 4.719 -2.048 -4.354 1.00 0.23 C ATOM 707 C ALA A 285 4.745 -0.533 -4.154 1.00 0.25 C ATOM 708 O ALA A 285 5.002 -0.058 -3.047 1.00 0.30 O ATOM 709 CB ALA A 285 6.062 -2.530 -4.870 1.00 0.27 C ATOM 0 H ALA A 285 3.984 -2.864 -6.139 1.00 0.19 H new ATOM 0 HA ALA A 285 4.518 -2.503 -3.384 1.00 0.23 H new ATOM 0 HB1 ALA A 285 6.849 -2.215 -4.185 1.00 0.27 H new ATOM 0 HB2 ALA A 285 6.056 -3.618 -4.940 1.00 0.27 H new ATOM 0 HB3 ALA A 285 6.247 -2.104 -5.856 1.00 0.27 H new ATOM 715 N ARG A 286 4.485 0.217 -5.229 1.00 0.23 N ATOM 716 CA ARG A 286 4.479 1.677 -5.175 1.00 0.26 C ATOM 717 C ARG A 286 3.525 2.168 -4.096 1.00 0.25 C ATOM 718 O ARG A 286 3.854 3.075 -3.330 1.00 0.31 O ATOM 719 CB ARG A 286 4.081 2.260 -6.532 1.00 0.27 C ATOM 720 CG ARG A 286 5.242 2.384 -7.505 1.00 0.31 C ATOM 721 CD ARG A 286 4.961 3.423 -8.579 1.00 0.58 C ATOM 722 NE ARG A 286 6.175 3.817 -9.293 1.00 1.14 N ATOM 723 CZ ARG A 286 6.207 4.627 -10.359 1.00 1.68 C ATOM 724 NH1 ARG A 286 5.093 5.155 -10.872 1.00 2.13 N ATOM 725 NH2 ARG A 286 7.373 4.914 -10.922 1.00 2.51 N ATOM 0 H ARG A 286 4.275 -0.168 -6.150 1.00 0.23 H new ATOM 0 HA ARG A 286 5.486 2.014 -4.930 1.00 0.26 H new ATOM 0 HB2 ARG A 286 3.311 1.630 -6.977 1.00 0.27 H new ATOM 0 HB3 ARG A 286 3.639 3.245 -6.380 1.00 0.27 H new ATOM 0 HG2 ARG A 286 6.146 2.657 -6.961 1.00 0.31 H new ATOM 0 HG3 ARG A 286 5.431 1.418 -7.973 1.00 0.31 H new ATOM 0 HD2 ARG A 286 4.237 3.023 -9.289 1.00 0.58 H new ATOM 0 HD3 ARG A 286 4.508 4.303 -8.122 1.00 0.58 H new ATOM 0 HE ARG A 286 7.063 3.447 -8.954 1.00 1.14 H new ATOM 0 HH11 ARG A 286 4.188 4.944 -10.451 1.00 2.13 H new ATOM 0 HH12 ARG A 286 5.147 5.769 -11.685 1.00 2.13 H new ATOM 0 HH21 ARG A 286 8.233 4.519 -10.543 1.00 2.51 H new ATOM 0 HH22 ARG A 286 7.409 5.530 -11.734 1.00 2.51 H new ATOM 739 N ALA A 287 2.351 1.547 -4.028 1.00 0.21 N ATOM 740 CA ALA A 287 1.358 1.904 -3.022 1.00 0.22 C ATOM 741 C ALA A 287 1.932 1.740 -1.617 1.00 0.25 C ATOM 742 O ALA A 287 1.705 2.573 -0.739 1.00 0.38 O ATOM 743 CB ALA A 287 0.116 1.044 -3.182 1.00 0.22 C ATOM 0 H ALA A 287 2.065 0.796 -4.656 1.00 0.21 H new ATOM 0 HA ALA A 287 1.085 2.950 -3.164 1.00 0.22 H new ATOM 0 HB1 ALA A 287 -0.618 1.320 -2.425 1.00 0.22 H new ATOM 0 HB2 ALA A 287 -0.309 1.200 -4.173 1.00 0.22 H new ATOM 0 HB3 ALA A 287 0.383 -0.006 -3.063 1.00 0.22 H new ATOM 749 N GLY A 288 2.679 0.657 -1.414 1.00 0.25 N ATOM 750 CA GLY A 288 3.279 0.391 -0.120 1.00 0.27 C ATOM 751 C GLY A 288 3.320 -1.091 0.191 1.00 0.26 C ATOM 752 O GLY A 288 2.854 -1.521 1.247 1.00 0.31 O ATOM 0 H GLY A 288 2.879 -0.044 -2.128 1.00 0.25 H new ATOM 0 HA2 GLY A 288 4.292 0.794 -0.100 1.00 0.27 H new ATOM 0 HA3 GLY A 288 2.714 0.909 0.655 1.00 0.27 H new ATOM 756 N PHE A 289 3.869 -1.873 -0.739 1.00 0.26 N ATOM 757 CA PHE A 289 3.961 -3.321 -0.573 1.00 0.29 C ATOM 758 C PHE A 289 5.356 -3.838 -0.925 1.00 0.28 C ATOM 759 O PHE A 289 6.068 -3.243 -1.733 1.00 0.34 O ATOM 760 CB PHE A 289 2.915 -4.014 -1.448 1.00 0.36 C ATOM 761 CG PHE A 289 1.556 -4.093 -0.812 1.00 0.39 C ATOM 762 CD1 PHE A 289 1.381 -4.735 0.404 1.00 1.31 C ATOM 763 CD2 PHE A 289 0.453 -3.527 -1.431 1.00 1.28 C ATOM 764 CE1 PHE A 289 0.132 -4.809 0.991 1.00 1.49 C ATOM 765 CE2 PHE A 289 -0.799 -3.598 -0.849 1.00 1.45 C ATOM 766 CZ PHE A 289 -0.959 -4.240 0.364 1.00 1.06 C ATOM 0 H PHE A 289 4.257 -1.526 -1.616 1.00 0.26 H new ATOM 0 HA PHE A 289 3.771 -3.550 0.476 1.00 0.29 H new ATOM 0 HB2 PHE A 289 2.834 -3.480 -2.395 1.00 0.36 H new ATOM 0 HB3 PHE A 289 3.258 -5.022 -1.680 1.00 0.36 H new ATOM 0 HD1 PHE A 289 2.230 -5.183 0.898 1.00 1.31 H new ATOM 0 HD2 PHE A 289 0.573 -3.024 -2.379 1.00 1.28 H new ATOM 0 HE1 PHE A 289 0.009 -5.311 1.939 1.00 1.49 H new ATOM 0 HE2 PHE A 289 -1.651 -3.152 -1.342 1.00 1.45 H new ATOM 0 HZ PHE A 289 -1.936 -4.297 0.821 1.00 1.06 H new ATOM 776 N TYR A 290 5.736 -4.953 -0.306 1.00 0.24 N ATOM 777 CA TYR A 290 7.043 -5.565 -0.543 1.00 0.26 C ATOM 778 C TYR A 290 6.994 -7.070 -0.277 1.00 0.22 C ATOM 779 O TYR A 290 6.591 -7.500 0.806 1.00 0.22 O ATOM 780 CB TYR A 290 8.094 -4.902 0.354 1.00 0.30 C ATOM 781 CG TYR A 290 9.224 -5.817 0.774 1.00 0.36 C ATOM 782 CD1 TYR A 290 10.352 -5.974 -0.021 1.00 1.29 C ATOM 783 CD2 TYR A 290 9.165 -6.516 1.975 1.00 1.21 C ATOM 784 CE1 TYR A 290 11.389 -6.801 0.367 1.00 1.34 C ATOM 785 CE2 TYR A 290 10.197 -7.346 2.369 1.00 1.23 C ATOM 786 CZ TYR A 290 11.306 -7.485 1.562 1.00 0.56 C ATOM 787 OH TYR A 290 12.337 -8.309 1.951 1.00 0.67 O ATOM 0 H TYR A 290 5.155 -5.454 0.367 1.00 0.24 H new ATOM 0 HA TYR A 290 7.315 -5.414 -1.588 1.00 0.26 H new ATOM 0 HB2 TYR A 290 8.514 -4.044 -0.172 1.00 0.30 H new ATOM 0 HB3 TYR A 290 7.602 -4.519 1.248 1.00 0.30 H new ATOM 0 HD1 TYR A 290 10.420 -5.441 -0.958 1.00 1.29 H new ATOM 0 HD2 TYR A 290 8.298 -6.408 2.610 1.00 1.21 H new ATOM 0 HE1 TYR A 290 12.260 -6.911 -0.262 1.00 1.34 H new ATOM 0 HE2 TYR A 290 10.135 -7.883 3.304 1.00 1.23 H new ATOM 0 HH TYR A 290 12.122 -8.715 2.817 1.00 0.67 H new ATOM 797 N ALA A 291 7.409 -7.873 -1.261 1.00 0.20 N ATOM 798 CA ALA A 291 7.402 -9.323 -1.098 1.00 0.18 C ATOM 799 C ALA A 291 8.526 -9.759 -0.164 1.00 0.21 C ATOM 800 O ALA A 291 9.581 -9.126 -0.118 1.00 0.27 O ATOM 801 CB ALA A 291 7.520 -10.018 -2.448 1.00 0.21 C ATOM 0 H ALA A 291 7.749 -7.546 -2.165 1.00 0.20 H new ATOM 0 HA ALA A 291 6.452 -9.615 -0.651 1.00 0.18 H new ATOM 0 HB1 ALA A 291 7.513 -11.098 -2.303 1.00 0.21 H new ATOM 0 HB2 ALA A 291 6.679 -9.731 -3.080 1.00 0.21 H new ATOM 0 HB3 ALA A 291 8.453 -9.723 -2.929 1.00 0.21 H new ATOM 807 N LEU A 292 8.292 -10.833 0.590 1.00 0.22 N ATOM 808 CA LEU A 292 9.288 -11.337 1.537 1.00 0.29 C ATOM 809 C LEU A 292 10.041 -12.549 0.986 1.00 0.32 C ATOM 810 O LEU A 292 10.334 -13.492 1.721 1.00 0.43 O ATOM 811 CB LEU A 292 8.613 -11.705 2.861 1.00 0.32 C ATOM 812 CG LEU A 292 8.085 -10.519 3.670 1.00 0.38 C ATOM 813 CD1 LEU A 292 6.771 -10.018 3.090 1.00 1.09 C ATOM 814 CD2 LEU A 292 7.911 -10.908 5.130 1.00 1.31 C ATOM 0 H LEU A 292 7.425 -11.370 0.564 1.00 0.22 H new ATOM 0 HA LEU A 292 10.015 -10.542 1.702 1.00 0.29 H new ATOM 0 HB2 LEU A 292 7.784 -12.381 2.653 1.00 0.32 H new ATOM 0 HB3 LEU A 292 9.327 -12.255 3.475 1.00 0.32 H new ATOM 0 HG LEU A 292 8.814 -9.711 3.613 1.00 0.38 H new ATOM 0 HD11 LEU A 292 6.411 -9.174 3.679 1.00 1.09 H new ATOM 0 HD12 LEU A 292 6.926 -9.701 2.059 1.00 1.09 H new ATOM 0 HD13 LEU A 292 6.033 -10.819 3.116 1.00 1.09 H new ATOM 0 HD21 LEU A 292 7.535 -10.053 5.692 1.00 1.31 H new ATOM 0 HD22 LEU A 292 7.202 -11.732 5.205 1.00 1.31 H new ATOM 0 HD23 LEU A 292 8.872 -11.218 5.541 1.00 1.31 H new ATOM 826 N GLY A 293 10.356 -12.523 -0.307 1.00 0.30 N ATOM 827 CA GLY A 293 11.073 -13.626 -0.919 1.00 0.36 C ATOM 828 C GLY A 293 10.140 -14.623 -1.571 1.00 0.48 C ATOM 829 O GLY A 293 10.245 -14.895 -2.767 1.00 0.84 O ATOM 0 H GLY A 293 10.127 -11.757 -0.941 1.00 0.30 H new ATOM 0 HA2 GLY A 293 11.766 -13.237 -1.666 1.00 0.36 H new ATOM 0 HA3 GLY A 293 11.672 -14.133 -0.162 1.00 0.36 H new ATOM 833 N GLU A 294 9.221 -15.163 -0.782 1.00 0.32 N ATOM 834 CA GLU A 294 8.257 -16.130 -1.279 1.00 0.41 C ATOM 835 C GLU A 294 7.217 -15.445 -2.157 1.00 0.40 C ATOM 836 O GLU A 294 6.750 -14.350 -1.841 1.00 0.43 O ATOM 837 CB GLU A 294 7.570 -16.828 -0.107 1.00 0.55 C ATOM 838 CG GLU A 294 8.280 -18.091 0.352 1.00 0.64 C ATOM 839 CD GLU A 294 7.856 -19.316 -0.434 1.00 0.99 C ATOM 840 OE1 GLU A 294 6.657 -19.662 -0.393 1.00 1.70 O ATOM 841 OE2 GLU A 294 8.724 -19.930 -1.090 1.00 1.63 O ATOM 0 H GLU A 294 9.124 -14.945 0.210 1.00 0.32 H new ATOM 0 HA GLU A 294 8.785 -16.871 -1.879 1.00 0.41 H new ATOM 0 HB2 GLU A 294 7.505 -16.134 0.731 1.00 0.55 H new ATOM 0 HB3 GLU A 294 6.549 -17.079 -0.393 1.00 0.55 H new ATOM 0 HG2 GLU A 294 9.357 -17.955 0.252 1.00 0.64 H new ATOM 0 HG3 GLU A 294 8.076 -18.254 1.410 1.00 0.64 H new ATOM 848 N GLY A 295 6.858 -16.092 -3.259 1.00 0.45 N ATOM 849 CA GLY A 295 5.876 -15.526 -4.163 1.00 0.51 C ATOM 850 C GLY A 295 4.540 -15.287 -3.488 1.00 0.59 C ATOM 851 O GLY A 295 4.160 -16.025 -2.579 1.00 1.20 O ATOM 0 H GLY A 295 7.230 -16.999 -3.543 1.00 0.45 H new ATOM 0 HA2 GLY A 295 6.253 -14.584 -4.561 1.00 0.51 H new ATOM 0 HA3 GLY A 295 5.737 -16.197 -5.011 1.00 0.51 H new ATOM 855 N ASP A 296 3.836 -14.244 -3.930 1.00 0.35 N ATOM 856 CA ASP A 296 2.516 -13.859 -3.390 1.00 0.32 C ATOM 857 C ASP A 296 2.601 -13.236 -1.989 1.00 0.25 C ATOM 858 O ASP A 296 2.120 -12.121 -1.798 1.00 0.32 O ATOM 859 CB ASP A 296 1.513 -15.028 -3.409 1.00 0.42 C ATOM 860 CG ASP A 296 0.663 -15.094 -2.155 1.00 0.64 C ATOM 861 OD1 ASP A 296 -0.157 -14.175 -1.946 1.00 1.35 O ATOM 862 OD2 ASP A 296 0.816 -16.064 -1.383 1.00 1.21 O ATOM 0 H ASP A 296 4.162 -13.633 -4.679 1.00 0.35 H new ATOM 0 HA ASP A 296 2.141 -13.087 -4.062 1.00 0.32 H new ATOM 0 HB2 ASP A 296 0.863 -14.929 -4.278 1.00 0.42 H new ATOM 0 HB3 ASP A 296 2.057 -15.966 -3.523 1.00 0.42 H new ATOM 867 N LYS A 297 3.187 -13.948 -1.014 1.00 0.22 N ATOM 868 CA LYS A 297 3.304 -13.439 0.353 1.00 0.21 C ATOM 869 C LYS A 297 3.966 -12.062 0.377 1.00 0.19 C ATOM 870 O LYS A 297 5.189 -11.937 0.271 1.00 0.21 O ATOM 871 CB LYS A 297 4.097 -14.427 1.212 1.00 0.26 C ATOM 872 CG LYS A 297 4.620 -13.841 2.514 1.00 0.33 C ATOM 873 CD LYS A 297 5.143 -14.931 3.435 1.00 0.65 C ATOM 874 CE LYS A 297 4.781 -14.661 4.885 1.00 0.55 C ATOM 875 NZ LYS A 297 5.684 -15.380 5.826 1.00 1.08 N ATOM 0 H LYS A 297 3.586 -14.877 -1.151 1.00 0.22 H new ATOM 0 HA LYS A 297 2.300 -13.333 0.765 1.00 0.21 H new ATOM 0 HB2 LYS A 297 3.462 -15.283 1.441 1.00 0.26 H new ATOM 0 HB3 LYS A 297 4.940 -14.802 0.631 1.00 0.26 H new ATOM 0 HG2 LYS A 297 5.416 -13.128 2.301 1.00 0.33 H new ATOM 0 HG3 LYS A 297 3.824 -13.290 3.014 1.00 0.33 H new ATOM 0 HD2 LYS A 297 4.732 -15.893 3.130 1.00 0.65 H new ATOM 0 HD3 LYS A 297 6.226 -15.002 3.337 1.00 0.65 H new ATOM 0 HE2 LYS A 297 4.833 -13.590 5.079 1.00 0.55 H new ATOM 0 HE3 LYS A 297 3.751 -14.967 5.065 1.00 0.55 H new ATOM 0 HZ1 LYS A 297 5.404 -15.170 6.805 1.00 1.08 H new ATOM 0 HZ2 LYS A 297 5.615 -16.404 5.659 1.00 1.08 H new ATOM 0 HZ3 LYS A 297 6.664 -15.069 5.672 1.00 1.08 H new ATOM 889 N VAL A 298 3.133 -11.033 0.508 1.00 0.19 N ATOM 890 CA VAL A 298 3.599 -9.652 0.541 1.00 0.19 C ATOM 891 C VAL A 298 2.953 -8.901 1.698 1.00 0.19 C ATOM 892 O VAL A 298 1.775 -9.109 1.992 1.00 0.21 O ATOM 893 CB VAL A 298 3.283 -8.921 -0.781 1.00 0.22 C ATOM 894 CG1 VAL A 298 1.833 -9.134 -1.193 1.00 0.30 C ATOM 895 CG2 VAL A 298 3.587 -7.441 -0.656 1.00 0.32 C ATOM 0 H VAL A 298 2.122 -11.133 0.594 1.00 0.19 H new ATOM 0 HA VAL A 298 4.680 -9.674 0.677 1.00 0.19 H new ATOM 0 HB VAL A 298 3.920 -9.343 -1.559 1.00 0.22 H new ATOM 0 HG11 VAL A 298 1.639 -8.608 -2.128 1.00 0.30 H new ATOM 0 HG12 VAL A 298 1.647 -10.199 -1.331 1.00 0.30 H new ATOM 0 HG13 VAL A 298 1.173 -8.748 -0.416 1.00 0.30 H new ATOM 0 HG21 VAL A 298 3.358 -6.942 -1.598 1.00 0.32 H new ATOM 0 HG22 VAL A 298 2.979 -7.011 0.140 1.00 0.32 H new ATOM 0 HG23 VAL A 298 4.643 -7.305 -0.420 1.00 0.32 H new ATOM 905 N LYS A 299 3.729 -8.040 2.358 1.00 0.23 N ATOM 906 CA LYS A 299 3.227 -7.270 3.497 1.00 0.25 C ATOM 907 C LYS A 299 3.319 -5.765 3.247 1.00 0.25 C ATOM 908 O LYS A 299 4.122 -5.303 2.434 1.00 0.24 O ATOM 909 CB LYS A 299 4.007 -7.637 4.761 1.00 0.29 C ATOM 910 CG LYS A 299 3.807 -9.079 5.205 1.00 0.35 C ATOM 911 CD LYS A 299 4.378 -9.319 6.593 1.00 1.06 C ATOM 912 CE LYS A 299 3.303 -9.220 7.663 1.00 1.01 C ATOM 913 NZ LYS A 299 3.743 -9.824 8.951 1.00 1.79 N ATOM 0 H LYS A 299 4.705 -7.859 2.124 1.00 0.23 H new ATOM 0 HA LYS A 299 2.175 -7.522 3.630 1.00 0.25 H new ATOM 0 HB2 LYS A 299 5.069 -7.464 4.585 1.00 0.29 H new ATOM 0 HB3 LYS A 299 3.705 -6.972 5.570 1.00 0.29 H new ATOM 0 HG2 LYS A 299 2.743 -9.318 5.202 1.00 0.35 H new ATOM 0 HG3 LYS A 299 4.286 -9.750 4.492 1.00 0.35 H new ATOM 0 HD2 LYS A 299 4.841 -10.305 6.631 1.00 1.06 H new ATOM 0 HD3 LYS A 299 5.163 -8.590 6.796 1.00 1.06 H new ATOM 0 HE2 LYS A 299 3.045 -8.173 7.823 1.00 1.01 H new ATOM 0 HE3 LYS A 299 2.399 -9.722 7.317 1.00 1.01 H new ATOM 0 HZ1 LYS A 299 2.982 -9.736 9.654 1.00 1.79 H new ATOM 0 HZ2 LYS A 299 3.965 -10.830 8.805 1.00 1.79 H new ATOM 0 HZ3 LYS A 299 4.590 -9.329 9.295 1.00 1.79 H new ATOM 927 N CYS A 300 2.484 -5.011 3.961 1.00 0.29 N ATOM 928 CA CYS A 300 2.449 -3.555 3.841 1.00 0.30 C ATOM 929 C CYS A 300 3.612 -2.919 4.599 1.00 0.31 C ATOM 930 O CYS A 300 4.155 -3.513 5.530 1.00 0.49 O ATOM 931 CB CYS A 300 1.123 -3.011 4.375 1.00 0.41 C ATOM 932 SG CYS A 300 0.349 -1.738 3.323 1.00 0.31 S ATOM 0 H CYS A 300 1.817 -5.389 4.634 1.00 0.29 H new ATOM 0 HA CYS A 300 2.542 -3.300 2.785 1.00 0.30 H new ATOM 0 HB2 CYS A 300 0.426 -3.840 4.492 1.00 0.41 H new ATOM 0 HB3 CYS A 300 1.290 -2.592 5.367 1.00 0.41 H new ATOM 937 N PHE A 301 3.993 -1.712 4.192 1.00 0.26 N ATOM 938 CA PHE A 301 5.098 -1.003 4.832 1.00 0.30 C ATOM 939 C PHE A 301 4.599 -0.059 5.924 1.00 0.48 C ATOM 940 O PHE A 301 3.703 0.752 5.690 1.00 1.54 O ATOM 941 CB PHE A 301 5.891 -0.206 3.794 1.00 0.37 C ATOM 942 CG PHE A 301 7.029 -0.970 3.178 1.00 0.63 C ATOM 943 CD1 PHE A 301 8.034 -1.504 3.970 1.00 1.44 C ATOM 944 CD2 PHE A 301 7.097 -1.149 1.806 1.00 1.42 C ATOM 945 CE1 PHE A 301 9.083 -2.203 3.405 1.00 1.69 C ATOM 946 CE2 PHE A 301 8.145 -1.845 1.235 1.00 1.66 C ATOM 947 CZ PHE A 301 9.139 -2.374 2.036 1.00 1.37 C ATOM 0 H PHE A 301 3.554 -1.205 3.424 1.00 0.26 H new ATOM 0 HA PHE A 301 5.744 -1.751 5.291 1.00 0.30 H new ATOM 0 HB2 PHE A 301 5.214 0.117 3.004 1.00 0.37 H new ATOM 0 HB3 PHE A 301 6.284 0.695 4.265 1.00 0.37 H new ATOM 0 HD1 PHE A 301 7.996 -1.372 5.041 1.00 1.44 H new ATOM 0 HD2 PHE A 301 6.322 -0.740 1.175 1.00 1.42 H new ATOM 0 HE1 PHE A 301 9.859 -2.615 4.033 1.00 1.69 H new ATOM 0 HE2 PHE A 301 8.187 -1.975 0.164 1.00 1.66 H new ATOM 0 HZ PHE A 301 9.958 -2.920 1.592 1.00 1.37 H new ATOM 957 N HIS A 302 5.205 -0.171 7.110 1.00 0.72 N ATOM 958 CA HIS A 302 4.865 0.669 8.265 1.00 0.63 C ATOM 959 C HIS A 302 3.496 0.322 8.858 1.00 0.43 C ATOM 960 O HIS A 302 3.414 -0.152 9.991 1.00 0.36 O ATOM 961 CB HIS A 302 4.925 2.156 7.896 1.00 0.77 C ATOM 962 CG HIS A 302 6.109 2.513 7.052 1.00 0.94 C ATOM 963 ND1 HIS A 302 6.001 2.959 5.752 1.00 1.54 N ATOM 964 CD2 HIS A 302 7.435 2.489 7.330 1.00 1.49 C ATOM 965 CE1 HIS A 302 7.207 3.193 5.266 1.00 1.48 C ATOM 966 NE2 HIS A 302 8.094 2.916 6.204 1.00 1.37 N ATOM 0 H HIS A 302 5.946 -0.847 7.298 1.00 0.72 H new ATOM 0 HA HIS A 302 5.612 0.464 9.032 1.00 0.63 H new ATOM 0 HB2 HIS A 302 4.014 2.427 7.363 1.00 0.77 H new ATOM 0 HB3 HIS A 302 4.948 2.749 8.810 1.00 0.77 H new ATOM 0 HD2 HIS A 302 7.889 2.190 8.263 1.00 1.49 H new ATOM 0 HE1 HIS A 302 7.429 3.550 4.271 1.00 1.48 H new ATOM 0 HE2 HIS A 302 9.106 3.005 6.108 1.00 1.37 H new ATOM 975 N CYS A 303 2.427 0.574 8.102 1.00 0.48 N ATOM 976 CA CYS A 303 1.068 0.298 8.567 1.00 0.41 C ATOM 977 C CYS A 303 0.886 -1.159 9.008 1.00 0.29 C ATOM 978 O CYS A 303 0.076 -1.442 9.891 1.00 0.45 O ATOM 979 CB CYS A 303 0.057 0.666 7.476 1.00 0.63 C ATOM 980 SG CYS A 303 -0.531 -0.730 6.465 1.00 0.24 S ATOM 0 H CYS A 303 2.477 0.970 7.163 1.00 0.48 H new ATOM 0 HA CYS A 303 0.889 0.916 9.447 1.00 0.41 H new ATOM 0 HB2 CYS A 303 -0.804 1.142 7.946 1.00 0.63 H new ATOM 0 HB3 CYS A 303 0.511 1.406 6.817 1.00 0.63 H new ATOM 985 N GLY A 304 1.641 -2.081 8.409 1.00 0.37 N ATOM 986 CA GLY A 304 1.530 -3.477 8.787 1.00 0.33 C ATOM 987 C GLY A 304 0.457 -4.212 8.010 1.00 0.32 C ATOM 988 O GLY A 304 0.010 -3.748 6.963 1.00 0.42 O ATOM 0 H GLY A 304 2.321 -1.885 7.675 1.00 0.37 H new ATOM 0 HA2 GLY A 304 2.489 -3.969 8.627 1.00 0.33 H new ATOM 0 HA3 GLY A 304 1.311 -3.544 9.853 1.00 0.33 H new ATOM 992 N GLY A 305 0.047 -5.367 8.520 1.00 0.35 N ATOM 993 CA GLY A 305 -0.971 -6.149 7.848 1.00 0.42 C ATOM 994 C GLY A 305 -0.426 -6.865 6.630 1.00 0.32 C ATOM 995 O GLY A 305 -0.036 -6.229 5.650 1.00 0.28 O ATOM 0 H GLY A 305 0.401 -5.775 9.385 1.00 0.35 H new ATOM 0 HA2 GLY A 305 -1.384 -6.880 8.543 1.00 0.42 H new ATOM 0 HA3 GLY A 305 -1.790 -5.496 7.548 1.00 0.42 H new ATOM 999 N GLY A 306 -0.390 -8.191 6.692 1.00 0.34 N ATOM 1000 CA GLY A 306 0.120 -8.968 5.581 1.00 0.30 C ATOM 1001 C GLY A 306 -0.968 -9.389 4.614 1.00 0.27 C ATOM 1002 O GLY A 306 -1.995 -9.930 5.025 1.00 0.31 O ATOM 0 H GLY A 306 -0.705 -8.740 7.492 1.00 0.34 H new ATOM 0 HA2 GLY A 306 0.869 -8.383 5.047 1.00 0.30 H new ATOM 0 HA3 GLY A 306 0.623 -9.856 5.964 1.00 0.30 H new ATOM 1006 N LEU A 307 -0.737 -9.144 3.328 1.00 0.23 N ATOM 1007 CA LEU A 307 -1.695 -9.501 2.288 1.00 0.23 C ATOM 1008 C LEU A 307 -1.230 -10.736 1.523 1.00 0.23 C ATOM 1009 O LEU A 307 -0.066 -10.837 1.131 1.00 0.27 O ATOM 1010 CB LEU A 307 -1.886 -8.331 1.320 1.00 0.25 C ATOM 1011 CG LEU A 307 -2.979 -7.336 1.715 1.00 0.29 C ATOM 1012 CD1 LEU A 307 -4.354 -7.973 1.581 1.00 0.41 C ATOM 1013 CD2 LEU A 307 -2.756 -6.837 3.134 1.00 0.27 C ATOM 0 H LEU A 307 0.111 -8.697 2.980 1.00 0.23 H new ATOM 0 HA LEU A 307 -2.647 -9.728 2.767 1.00 0.23 H new ATOM 0 HB2 LEU A 307 -0.942 -7.794 1.232 1.00 0.25 H new ATOM 0 HB3 LEU A 307 -2.119 -8.730 0.333 1.00 0.25 H new ATOM 0 HG LEU A 307 -2.930 -6.482 1.039 1.00 0.29 H new ATOM 0 HD11 LEU A 307 -5.119 -7.251 1.866 1.00 0.41 H new ATOM 0 HD12 LEU A 307 -4.513 -8.281 0.548 1.00 0.41 H new ATOM 0 HD13 LEU A 307 -4.417 -8.844 2.233 1.00 0.41 H new ATOM 0 HD21 LEU A 307 -3.542 -6.130 3.399 1.00 0.27 H new ATOM 0 HD22 LEU A 307 -2.779 -7.680 3.824 1.00 0.27 H new ATOM 0 HD23 LEU A 307 -1.787 -6.342 3.198 1.00 0.27 H new ATOM 1025 N THR A 308 -2.150 -11.671 1.311 1.00 0.25 N ATOM 1026 CA THR A 308 -1.844 -12.901 0.591 1.00 0.29 C ATOM 1027 C THR A 308 -3.064 -13.391 -0.184 1.00 0.30 C ATOM 1028 O THR A 308 -4.201 -13.108 0.191 1.00 0.39 O ATOM 1029 CB THR A 308 -1.366 -14.011 1.547 1.00 0.33 C ATOM 1030 OG1 THR A 308 -1.095 -15.209 0.810 1.00 0.38 O ATOM 1031 CG2 THR A 308 -2.410 -14.293 2.617 1.00 0.35 C ATOM 0 H THR A 308 -3.117 -11.600 1.629 1.00 0.25 H new ATOM 0 HA THR A 308 -1.039 -12.673 -0.108 1.00 0.29 H new ATOM 0 HB THR A 308 -0.453 -13.670 2.035 1.00 0.33 H new ATOM 0 HG1 THR A 308 -0.713 -14.977 -0.062 1.00 0.38 H new ATOM 0 HG21 THR A 308 -2.049 -15.080 3.279 1.00 0.35 H new ATOM 0 HG22 THR A 308 -2.592 -13.387 3.195 1.00 0.35 H new ATOM 0 HG23 THR A 308 -3.338 -14.614 2.144 1.00 0.35 H new ATOM 1039 N ASP A 309 -2.823 -14.119 -1.269 1.00 0.29 N ATOM 1040 CA ASP A 309 -3.908 -14.635 -2.096 1.00 0.31 C ATOM 1041 C ASP A 309 -4.744 -13.488 -2.653 1.00 0.43 C ATOM 1042 O ASP A 309 -5.916 -13.335 -2.308 1.00 1.04 O ATOM 1043 CB ASP A 309 -4.793 -15.583 -1.285 1.00 0.37 C ATOM 1044 CG ASP A 309 -5.657 -16.462 -2.167 1.00 0.41 C ATOM 1045 OD1 ASP A 309 -5.094 -17.278 -2.927 1.00 1.12 O ATOM 1046 OD2 ASP A 309 -6.898 -16.334 -2.099 1.00 1.26 O ATOM 0 H ASP A 309 -1.889 -14.365 -1.596 1.00 0.29 H new ATOM 0 HA ASP A 309 -3.472 -15.188 -2.928 1.00 0.31 H new ATOM 0 HB2 ASP A 309 -4.165 -16.212 -0.654 1.00 0.37 H new ATOM 0 HB3 ASP A 309 -5.431 -15.001 -0.620 1.00 0.37 H new ATOM 1051 N TRP A 310 -4.127 -12.679 -3.507 1.00 0.33 N ATOM 1052 CA TRP A 310 -4.804 -11.534 -4.107 1.00 0.26 C ATOM 1053 C TRP A 310 -5.996 -11.968 -4.952 1.00 0.27 C ATOM 1054 O TRP A 310 -6.229 -13.160 -5.154 1.00 0.42 O ATOM 1055 CB TRP A 310 -3.826 -10.732 -4.965 1.00 0.21 C ATOM 1056 CG TRP A 310 -3.061 -9.709 -4.185 1.00 0.19 C ATOM 1057 CD1 TRP A 310 -1.867 -9.888 -3.548 1.00 0.23 C ATOM 1058 CD2 TRP A 310 -3.441 -8.348 -3.953 1.00 0.17 C ATOM 1059 NE1 TRP A 310 -1.480 -8.722 -2.935 1.00 0.24 N ATOM 1060 CE2 TRP A 310 -2.429 -7.761 -3.169 1.00 0.20 C ATOM 1061 CE3 TRP A 310 -4.537 -7.566 -4.333 1.00 0.17 C ATOM 1062 CZ2 TRP A 310 -2.481 -6.433 -2.759 1.00 0.21 C ATOM 1063 CZ3 TRP A 310 -4.587 -6.247 -3.925 1.00 0.19 C ATOM 1064 CH2 TRP A 310 -3.564 -5.692 -3.145 1.00 0.21 C ATOM 0 H TRP A 310 -3.157 -12.795 -3.800 1.00 0.33 H new ATOM 0 HA TRP A 310 -5.174 -10.907 -3.296 1.00 0.26 H new ATOM 0 HB2 TRP A 310 -3.124 -11.417 -5.441 1.00 0.21 H new ATOM 0 HB3 TRP A 310 -4.376 -10.234 -5.763 1.00 0.21 H new ATOM 0 HD1 TRP A 310 -1.308 -10.812 -3.529 1.00 0.23 H new ATOM 0 HE1 TRP A 310 -0.625 -8.592 -2.394 1.00 0.24 H new ATOM 0 HE3 TRP A 310 -5.330 -7.986 -4.934 1.00 0.17 H new ATOM 0 HZ2 TRP A 310 -1.694 -6.002 -2.157 1.00 0.21 H new ATOM 0 HZ3 TRP A 310 -5.428 -5.634 -4.212 1.00 0.19 H new ATOM 0 HH2 TRP A 310 -3.632 -4.658 -2.842 1.00 0.21 H new ATOM 1075 N LYS A 311 -6.743 -10.980 -5.439 1.00 0.32 N ATOM 1076 CA LYS A 311 -7.920 -11.224 -6.268 1.00 0.39 C ATOM 1077 C LYS A 311 -7.703 -10.642 -7.671 1.00 0.39 C ATOM 1078 O LYS A 311 -7.132 -9.559 -7.798 1.00 0.45 O ATOM 1079 CB LYS A 311 -9.145 -10.569 -5.619 1.00 0.56 C ATOM 1080 CG LYS A 311 -10.454 -11.289 -5.895 1.00 0.69 C ATOM 1081 CD LYS A 311 -11.606 -10.665 -5.123 1.00 1.19 C ATOM 1082 CE LYS A 311 -12.893 -11.454 -5.309 1.00 1.63 C ATOM 1083 NZ LYS A 311 -13.539 -11.777 -4.007 1.00 1.82 N ATOM 0 H LYS A 311 -6.551 -9.992 -5.271 1.00 0.32 H new ATOM 0 HA LYS A 311 -8.084 -12.298 -6.353 1.00 0.39 H new ATOM 0 HB2 LYS A 311 -8.990 -10.521 -4.541 1.00 0.56 H new ATOM 0 HB3 LYS A 311 -9.226 -9.542 -5.975 1.00 0.56 H new ATOM 0 HG2 LYS A 311 -10.670 -11.257 -6.963 1.00 0.69 H new ATOM 0 HG3 LYS A 311 -10.358 -12.340 -5.621 1.00 0.69 H new ATOM 0 HD2 LYS A 311 -11.354 -10.622 -4.063 1.00 1.19 H new ATOM 0 HD3 LYS A 311 -11.756 -9.638 -5.457 1.00 1.19 H new ATOM 0 HE2 LYS A 311 -13.585 -10.880 -5.925 1.00 1.63 H new ATOM 0 HE3 LYS A 311 -12.678 -12.377 -5.847 1.00 1.63 H new ATOM 0 HZ1 LYS A 311 -14.413 -12.315 -4.177 1.00 1.82 H new ATOM 0 HZ2 LYS A 311 -12.889 -12.346 -3.429 1.00 1.82 H new ATOM 0 HZ3 LYS A 311 -13.767 -10.895 -3.505 1.00 1.82 H new ATOM 1097 N PRO A 312 -8.145 -11.334 -8.751 1.00 0.46 N ATOM 1098 CA PRO A 312 -7.973 -10.836 -10.124 1.00 0.58 C ATOM 1099 C PRO A 312 -8.562 -9.440 -10.306 1.00 0.69 C ATOM 1100 O PRO A 312 -9.706 -9.185 -9.931 1.00 1.67 O ATOM 1101 CB PRO A 312 -8.731 -11.854 -10.989 1.00 0.74 C ATOM 1102 CG PRO A 312 -9.582 -12.625 -10.038 1.00 0.67 C ATOM 1103 CD PRO A 312 -8.834 -12.636 -8.738 1.00 0.54 C ATOM 0 HA PRO A 312 -6.920 -10.744 -10.389 1.00 0.58 H new ATOM 0 HB2 PRO A 312 -9.339 -11.354 -11.743 1.00 0.74 H new ATOM 0 HB3 PRO A 312 -8.041 -12.510 -11.519 1.00 0.74 H new ATOM 0 HG2 PRO A 312 -10.560 -12.159 -9.922 1.00 0.67 H new ATOM 0 HG3 PRO A 312 -9.753 -13.639 -10.400 1.00 0.67 H new ATOM 0 HD2 PRO A 312 -9.506 -12.730 -7.885 1.00 0.54 H new ATOM 0 HD3 PRO A 312 -8.130 -13.466 -8.683 1.00 0.54 H new ATOM 1111 N SER A 313 -7.768 -8.538 -10.874 1.00 0.55 N ATOM 1112 CA SER A 313 -8.206 -7.165 -11.094 1.00 0.44 C ATOM 1113 C SER A 313 -8.508 -6.481 -9.764 1.00 0.37 C ATOM 1114 O SER A 313 -9.638 -6.519 -9.279 1.00 0.45 O ATOM 1115 CB SER A 313 -9.446 -7.138 -11.990 1.00 0.47 C ATOM 1116 OG SER A 313 -9.623 -5.861 -12.579 1.00 1.02 O ATOM 0 H SER A 313 -6.818 -8.733 -11.190 1.00 0.55 H new ATOM 0 HA SER A 313 -7.401 -6.624 -11.591 1.00 0.44 H new ATOM 0 HB2 SER A 313 -9.350 -7.892 -12.771 1.00 0.47 H new ATOM 0 HB3 SER A 313 -10.328 -7.397 -11.404 1.00 0.47 H new ATOM 0 HG SER A 313 -10.421 -5.871 -13.148 1.00 1.02 H new ATOM 1122 N GLU A 314 -7.488 -5.861 -9.176 1.00 0.26 N ATOM 1123 CA GLU A 314 -7.646 -5.175 -7.898 1.00 0.24 C ATOM 1124 C GLU A 314 -6.511 -4.183 -7.674 1.00 0.30 C ATOM 1125 O GLU A 314 -5.355 -4.469 -7.988 1.00 0.67 O ATOM 1126 CB GLU A 314 -7.686 -6.188 -6.752 1.00 0.27 C ATOM 1127 CG GLU A 314 -9.087 -6.676 -6.421 1.00 0.33 C ATOM 1128 CD GLU A 314 -9.242 -7.058 -4.962 1.00 0.65 C ATOM 1129 OE1 GLU A 314 -8.329 -7.716 -4.420 1.00 1.21 O ATOM 1130 OE2 GLU A 314 -10.277 -6.700 -4.361 1.00 1.49 O ATOM 0 H GLU A 314 -6.545 -5.820 -9.564 1.00 0.26 H new ATOM 0 HA GLU A 314 -8.588 -4.627 -7.921 1.00 0.24 H new ATOM 0 HB2 GLU A 314 -7.064 -7.044 -7.013 1.00 0.27 H new ATOM 0 HB3 GLU A 314 -7.248 -5.735 -5.862 1.00 0.27 H new ATOM 0 HG2 GLU A 314 -9.807 -5.896 -6.667 1.00 0.33 H new ATOM 0 HG3 GLU A 314 -9.325 -7.537 -7.045 1.00 0.33 H new ATOM 1137 N ASP A 315 -6.847 -3.017 -7.130 1.00 0.24 N ATOM 1138 CA ASP A 315 -5.850 -1.986 -6.868 1.00 0.21 C ATOM 1139 C ASP A 315 -5.361 -2.056 -5.418 1.00 0.19 C ATOM 1140 O ASP A 315 -6.101 -2.481 -4.529 1.00 0.22 O ATOM 1141 CB ASP A 315 -6.433 -0.601 -7.154 1.00 0.22 C ATOM 1142 CG ASP A 315 -6.621 -0.347 -8.637 1.00 0.24 C ATOM 1143 OD1 ASP A 315 -7.376 -1.107 -9.279 1.00 1.06 O ATOM 1144 OD2 ASP A 315 -6.012 0.611 -9.158 1.00 1.08 O ATOM 0 H ASP A 315 -7.798 -2.764 -6.863 1.00 0.24 H new ATOM 0 HA ASP A 315 -5.001 -2.160 -7.529 1.00 0.21 H new ATOM 0 HB2 ASP A 315 -7.393 -0.502 -6.647 1.00 0.22 H new ATOM 0 HB3 ASP A 315 -5.773 0.161 -6.739 1.00 0.22 H new ATOM 1149 N PRO A 316 -4.109 -1.633 -5.152 1.00 0.16 N ATOM 1150 CA PRO A 316 -3.544 -1.653 -3.799 1.00 0.17 C ATOM 1151 C PRO A 316 -4.076 -0.522 -2.921 1.00 0.17 C ATOM 1152 O PRO A 316 -4.272 -0.703 -1.719 1.00 0.23 O ATOM 1153 CB PRO A 316 -2.050 -1.474 -4.050 1.00 0.18 C ATOM 1154 CG PRO A 316 -1.984 -0.653 -5.289 1.00 0.18 C ATOM 1155 CD PRO A 316 -3.146 -1.097 -6.137 1.00 0.16 C ATOM 0 HA PRO A 316 -3.801 -2.566 -3.262 1.00 0.17 H new ATOM 0 HB2 PRO A 316 -1.563 -0.973 -3.214 1.00 0.18 H new ATOM 0 HB3 PRO A 316 -1.550 -2.434 -4.181 1.00 0.18 H new ATOM 0 HG2 PRO A 316 -2.052 0.410 -5.058 1.00 0.18 H new ATOM 0 HG3 PRO A 316 -1.039 -0.806 -5.810 1.00 0.18 H new ATOM 0 HD2 PRO A 316 -3.570 -0.267 -6.702 1.00 0.16 H new ATOM 0 HD3 PRO A 316 -2.848 -1.856 -6.860 1.00 0.16 H new ATOM 1163 N TRP A 317 -4.299 0.644 -3.529 1.00 0.16 N ATOM 1164 CA TRP A 317 -4.803 1.810 -2.810 1.00 0.17 C ATOM 1165 C TRP A 317 -6.110 1.495 -2.090 1.00 0.16 C ATOM 1166 O TRP A 317 -6.230 1.700 -0.883 1.00 0.22 O ATOM 1167 CB TRP A 317 -5.026 2.967 -3.784 1.00 0.20 C ATOM 1168 CG TRP A 317 -3.924 3.980 -3.778 1.00 0.20 C ATOM 1169 CD1 TRP A 317 -2.654 3.816 -4.252 1.00 0.27 C ATOM 1170 CD2 TRP A 317 -3.997 5.317 -3.276 1.00 0.24 C ATOM 1171 NE1 TRP A 317 -1.932 4.972 -4.075 1.00 0.33 N ATOM 1172 CE2 TRP A 317 -2.735 5.908 -3.477 1.00 0.31 C ATOM 1173 CE3 TRP A 317 -5.007 6.072 -2.676 1.00 0.31 C ATOM 1174 CZ2 TRP A 317 -2.460 7.220 -3.100 1.00 0.41 C ATOM 1175 CZ3 TRP A 317 -4.733 7.373 -2.302 1.00 0.41 C ATOM 1176 CH2 TRP A 317 -3.469 7.935 -2.515 1.00 0.45 C ATOM 0 H TRP A 317 -4.137 0.804 -4.523 1.00 0.16 H new ATOM 0 HA TRP A 317 -4.058 2.091 -2.065 1.00 0.17 H new ATOM 0 HB2 TRP A 317 -5.133 2.566 -4.792 1.00 0.20 H new ATOM 0 HB3 TRP A 317 -5.965 3.463 -3.536 1.00 0.20 H new ATOM 0 HD1 TRP A 317 -2.273 2.910 -4.700 1.00 0.27 H new ATOM 0 HE1 TRP A 317 -0.958 5.111 -4.345 1.00 0.33 H new ATOM 0 HE3 TRP A 317 -5.985 5.646 -2.507 1.00 0.31 H new ATOM 0 HZ2 TRP A 317 -1.486 7.657 -3.263 1.00 0.41 H new ATOM 0 HZ3 TRP A 317 -5.507 7.966 -1.838 1.00 0.41 H new ATOM 0 HH2 TRP A 317 -3.286 8.955 -2.211 1.00 0.45 H new ATOM 1187 N GLU A 318 -7.088 1.006 -2.842 1.00 0.16 N ATOM 1188 CA GLU A 318 -8.393 0.674 -2.282 1.00 0.17 C ATOM 1189 C GLU A 318 -8.323 -0.555 -1.376 1.00 0.14 C ATOM 1190 O GLU A 318 -8.969 -0.598 -0.329 1.00 0.16 O ATOM 1191 CB GLU A 318 -9.402 0.431 -3.406 1.00 0.23 C ATOM 1192 CG GLU A 318 -9.912 1.709 -4.053 1.00 0.27 C ATOM 1193 CD GLU A 318 -10.638 1.451 -5.358 1.00 0.65 C ATOM 1194 OE1 GLU A 318 -9.962 1.153 -6.365 1.00 1.36 O ATOM 1195 OE2 GLU A 318 -11.883 1.549 -5.374 1.00 1.47 O ATOM 0 H GLU A 318 -7.002 0.830 -3.843 1.00 0.16 H new ATOM 0 HA GLU A 318 -8.717 1.521 -1.676 1.00 0.17 H new ATOM 0 HB2 GLU A 318 -8.939 -0.193 -4.170 1.00 0.23 H new ATOM 0 HB3 GLU A 318 -10.249 -0.128 -3.008 1.00 0.23 H new ATOM 0 HG2 GLU A 318 -10.584 2.219 -3.362 1.00 0.27 H new ATOM 0 HG3 GLU A 318 -9.073 2.380 -4.235 1.00 0.27 H new ATOM 1202 N GLN A 319 -7.551 -1.559 -1.789 1.00 0.14 N ATOM 1203 CA GLN A 319 -7.420 -2.791 -1.015 1.00 0.15 C ATOM 1204 C GLN A 319 -6.916 -2.524 0.403 1.00 0.14 C ATOM 1205 O GLN A 319 -7.636 -2.749 1.376 1.00 0.17 O ATOM 1206 CB GLN A 319 -6.480 -3.770 -1.722 1.00 0.22 C ATOM 1207 CG GLN A 319 -6.288 -5.075 -0.966 1.00 0.47 C ATOM 1208 CD GLN A 319 -7.602 -5.751 -0.627 1.00 1.23 C ATOM 1209 OE1 GLN A 319 -8.256 -5.406 0.356 1.00 2.09 O ATOM 1210 NE2 GLN A 319 -7.996 -6.722 -1.444 1.00 1.72 N ATOM 0 H GLN A 319 -7.009 -1.543 -2.653 1.00 0.14 H new ATOM 0 HA GLN A 319 -8.414 -3.231 -0.940 1.00 0.15 H new ATOM 0 HB2 GLN A 319 -6.874 -3.988 -2.714 1.00 0.22 H new ATOM 0 HB3 GLN A 319 -5.510 -3.294 -1.862 1.00 0.22 H new ATOM 0 HG2 GLN A 319 -5.680 -5.752 -1.566 1.00 0.47 H new ATOM 0 HG3 GLN A 319 -5.736 -4.880 -0.047 1.00 0.47 H new ATOM 0 HE21 GLN A 319 -7.422 -6.976 -2.248 1.00 1.72 H new ATOM 0 HE22 GLN A 319 -8.872 -7.213 -1.267 1.00 1.72 H new ATOM 1219 N HIS A 320 -5.675 -2.057 0.516 1.00 0.16 N ATOM 1220 CA HIS A 320 -5.076 -1.776 1.820 1.00 0.19 C ATOM 1221 C HIS A 320 -5.906 -0.769 2.614 1.00 0.19 C ATOM 1222 O HIS A 320 -6.072 -0.913 3.826 1.00 0.22 O ATOM 1223 CB HIS A 320 -3.644 -1.255 1.653 1.00 0.25 C ATOM 1224 CG HIS A 320 -3.322 -0.098 2.549 1.00 0.22 C ATOM 1225 ND1 HIS A 320 -3.466 1.230 2.320 1.00 0.23 N flip ATOM 1226 CD2 HIS A 320 -2.828 -0.284 3.820 1.00 0.25 C flip ATOM 1227 CE1 HIS A 320 -3.062 1.876 3.460 1.00 0.27 C flip ATOM 1228 NE2 HIS A 320 -2.690 0.926 4.332 1.00 0.29 N flip ATOM 0 H HIS A 320 -5.064 -1.865 -0.278 1.00 0.16 H new ATOM 0 HA HIS A 320 -5.054 -2.712 2.378 1.00 0.19 H new ATOM 0 HB2 HIS A 320 -2.945 -2.066 1.855 1.00 0.25 H new ATOM 0 HB3 HIS A 320 -3.493 -0.955 0.616 1.00 0.25 H new ATOM 0 HD2 HIS A 320 -2.600 -1.224 4.300 1.00 0.25 H new ATOM 0 HE1 HIS A 320 -3.046 2.943 3.624 1.00 0.27 H new ATOM 0 HE2 HIS A 320 -2.344 1.115 5.273 1.00 0.29 H new ATOM 1236 N ALA A 321 -6.416 0.254 1.932 1.00 0.18 N ATOM 1237 CA ALA A 321 -7.220 1.288 2.582 1.00 0.20 C ATOM 1238 C ALA A 321 -8.428 0.707 3.320 1.00 0.20 C ATOM 1239 O ALA A 321 -8.837 1.229 4.355 1.00 0.25 O ATOM 1240 CB ALA A 321 -7.679 2.316 1.560 1.00 0.21 C ATOM 0 H ALA A 321 -6.287 0.390 0.929 1.00 0.18 H new ATOM 0 HA ALA A 321 -6.585 1.770 3.326 1.00 0.20 H new ATOM 0 HB1 ALA A 321 -8.277 3.081 2.056 1.00 0.21 H new ATOM 0 HB2 ALA A 321 -6.809 2.780 1.095 1.00 0.21 H new ATOM 0 HB3 ALA A 321 -8.281 1.825 0.795 1.00 0.21 H new ATOM 1246 N LYS A 322 -9.008 -0.362 2.782 1.00 0.19 N ATOM 1247 CA LYS A 322 -10.175 -0.986 3.398 1.00 0.22 C ATOM 1248 C LYS A 322 -9.785 -1.892 4.566 1.00 0.22 C ATOM 1249 O LYS A 322 -10.377 -1.818 5.643 1.00 0.28 O ATOM 1250 CB LYS A 322 -10.953 -1.792 2.356 1.00 0.23 C ATOM 1251 CG LYS A 322 -12.227 -2.418 2.898 1.00 0.28 C ATOM 1252 CD LYS A 322 -12.049 -3.904 3.162 1.00 1.17 C ATOM 1253 CE LYS A 322 -12.976 -4.388 4.265 1.00 1.84 C ATOM 1254 NZ LYS A 322 -12.556 -5.712 4.802 1.00 2.54 N ATOM 0 H LYS A 322 -8.691 -0.813 1.924 1.00 0.19 H new ATOM 0 HA LYS A 322 -10.805 -0.187 3.789 1.00 0.22 H new ATOM 0 HB2 LYS A 322 -11.206 -1.140 1.520 1.00 0.23 H new ATOM 0 HB3 LYS A 322 -10.310 -2.580 1.964 1.00 0.23 H new ATOM 0 HG2 LYS A 322 -12.516 -1.916 3.821 1.00 0.28 H new ATOM 0 HG3 LYS A 322 -13.039 -2.269 2.186 1.00 0.28 H new ATOM 0 HD2 LYS A 322 -12.246 -4.463 2.248 1.00 1.17 H new ATOM 0 HD3 LYS A 322 -11.014 -4.104 3.441 1.00 1.17 H new ATOM 0 HE2 LYS A 322 -12.991 -3.657 5.073 1.00 1.84 H new ATOM 0 HE3 LYS A 322 -13.993 -4.459 3.880 1.00 1.84 H new ATOM 0 HZ1 LYS A 322 -13.214 -6.007 5.552 1.00 2.54 H new ATOM 0 HZ2 LYS A 322 -12.566 -6.416 4.037 1.00 2.54 H new ATOM 0 HZ3 LYS A 322 -11.595 -5.639 5.193 1.00 2.54 H new ATOM 1268 N TRP A 323 -8.799 -2.757 4.345 1.00 0.24 N ATOM 1269 CA TRP A 323 -8.349 -3.688 5.378 1.00 0.26 C ATOM 1270 C TRP A 323 -7.775 -2.957 6.592 1.00 0.30 C ATOM 1271 O TRP A 323 -8.097 -3.286 7.733 1.00 0.34 O ATOM 1272 CB TRP A 323 -7.298 -4.642 4.806 1.00 0.26 C ATOM 1273 CG TRP A 323 -7.862 -5.960 4.367 1.00 0.27 C ATOM 1274 CD1 TRP A 323 -7.700 -6.555 3.148 1.00 0.29 C ATOM 1275 CD2 TRP A 323 -8.677 -6.847 5.141 1.00 0.33 C ATOM 1276 NE1 TRP A 323 -8.364 -7.758 3.118 1.00 0.31 N ATOM 1277 CE2 TRP A 323 -8.972 -7.959 4.329 1.00 0.34 C ATOM 1278 CE3 TRP A 323 -9.186 -6.811 6.443 1.00 0.42 C ATOM 1279 CZ2 TRP A 323 -9.752 -9.022 4.777 1.00 0.42 C ATOM 1280 CZ3 TRP A 323 -9.960 -7.867 6.886 1.00 0.53 C ATOM 1281 CH2 TRP A 323 -10.237 -8.960 6.055 1.00 0.52 C ATOM 0 H TRP A 323 -8.296 -2.833 3.461 1.00 0.24 H new ATOM 0 HA TRP A 323 -9.219 -4.255 5.708 1.00 0.26 H new ATOM 0 HB2 TRP A 323 -6.809 -4.164 3.957 1.00 0.26 H new ATOM 0 HB3 TRP A 323 -6.530 -4.817 5.559 1.00 0.26 H new ATOM 0 HD1 TRP A 323 -7.133 -6.141 2.328 1.00 0.29 H new ATOM 0 HE1 TRP A 323 -8.398 -8.397 2.324 1.00 0.31 H new ATOM 0 HE3 TRP A 323 -8.978 -5.973 7.091 1.00 0.42 H new ATOM 0 HZ2 TRP A 323 -9.967 -9.866 4.138 1.00 0.42 H new ATOM 0 HZ3 TRP A 323 -10.358 -7.849 7.890 1.00 0.53 H new ATOM 0 HH2 TRP A 323 -10.845 -9.770 6.430 1.00 0.52 H new ATOM 1292 N TYR A 324 -6.918 -1.973 6.340 1.00 0.29 N ATOM 1293 CA TYR A 324 -6.293 -1.207 7.414 1.00 0.34 C ATOM 1294 C TYR A 324 -5.743 0.123 6.890 1.00 0.30 C ATOM 1295 O TYR A 324 -4.576 0.204 6.509 1.00 0.29 O ATOM 1296 CB TYR A 324 -5.158 -2.018 8.041 1.00 0.39 C ATOM 1297 CG TYR A 324 -5.599 -2.881 9.202 1.00 0.50 C ATOM 1298 CD1 TYR A 324 -5.950 -2.313 10.420 1.00 1.31 C ATOM 1299 CD2 TYR A 324 -5.664 -4.264 9.080 1.00 1.31 C ATOM 1300 CE1 TYR A 324 -6.354 -3.098 11.484 1.00 1.36 C ATOM 1301 CE2 TYR A 324 -6.067 -5.055 10.139 1.00 1.37 C ATOM 1302 CZ TYR A 324 -6.411 -4.468 11.338 1.00 0.72 C ATOM 1303 OH TYR A 324 -6.812 -5.252 12.395 1.00 0.83 O ATOM 0 H TYR A 324 -6.640 -1.687 5.401 1.00 0.29 H new ATOM 0 HA TYR A 324 -7.052 -0.996 8.167 1.00 0.34 H new ATOM 0 HB2 TYR A 324 -4.711 -2.653 7.276 1.00 0.39 H new ATOM 0 HB3 TYR A 324 -4.380 -1.335 8.382 1.00 0.39 H new ATOM 0 HD1 TYR A 324 -5.907 -1.240 10.538 1.00 1.31 H new ATOM 0 HD2 TYR A 324 -5.395 -4.728 8.142 1.00 1.31 H new ATOM 0 HE1 TYR A 324 -6.624 -2.641 12.425 1.00 1.36 H new ATOM 0 HE2 TYR A 324 -6.112 -6.128 10.028 1.00 1.37 H new ATOM 0 HH TYR A 324 -6.798 -6.195 12.127 1.00 0.83 H new ATOM 1313 N PRO A 325 -6.569 1.190 6.859 1.00 0.35 N ATOM 1314 CA PRO A 325 -6.130 2.501 6.372 1.00 0.38 C ATOM 1315 C PRO A 325 -5.199 3.204 7.355 1.00 0.40 C ATOM 1316 O PRO A 325 -5.643 3.998 8.184 1.00 0.47 O ATOM 1317 CB PRO A 325 -7.435 3.283 6.224 1.00 0.47 C ATOM 1318 CG PRO A 325 -8.367 2.658 7.204 1.00 0.47 C ATOM 1319 CD PRO A 325 -7.981 1.206 7.290 1.00 0.42 C ATOM 0 HA PRO A 325 -5.559 2.419 5.447 1.00 0.38 H new ATOM 0 HB2 PRO A 325 -7.288 4.342 6.438 1.00 0.47 H new ATOM 0 HB3 PRO A 325 -7.824 3.214 5.208 1.00 0.47 H new ATOM 0 HG2 PRO A 325 -8.286 3.140 8.178 1.00 0.47 H new ATOM 0 HG3 PRO A 325 -9.402 2.766 6.879 1.00 0.47 H new ATOM 0 HD2 PRO A 325 -8.094 0.822 8.304 1.00 0.42 H new ATOM 0 HD3 PRO A 325 -8.604 0.588 6.643 1.00 0.42 H new ATOM 1327 N GLY A 326 -3.907 2.910 7.256 1.00 0.35 N ATOM 1328 CA GLY A 326 -2.940 3.527 8.145 1.00 0.37 C ATOM 1329 C GLY A 326 -1.545 3.619 7.546 1.00 0.34 C ATOM 1330 O GLY A 326 -0.552 3.499 8.264 1.00 0.47 O ATOM 0 H GLY A 326 -3.513 2.258 6.578 1.00 0.35 H new ATOM 0 HA2 GLY A 326 -3.283 4.528 8.405 1.00 0.37 H new ATOM 0 HA3 GLY A 326 -2.893 2.956 9.072 1.00 0.37 H new ATOM 1334 N CYS A 327 -1.462 3.841 6.235 1.00 0.31 N ATOM 1335 CA CYS A 327 -0.169 3.956 5.565 1.00 0.30 C ATOM 1336 C CYS A 327 0.282 5.412 5.532 1.00 0.29 C ATOM 1337 O CYS A 327 -0.539 6.322 5.430 1.00 0.37 O ATOM 1338 CB CYS A 327 -0.247 3.395 4.142 1.00 0.31 C ATOM 1339 SG CYS A 327 0.118 1.611 4.017 1.00 0.36 S ATOM 0 H CYS A 327 -2.269 3.944 5.620 1.00 0.31 H new ATOM 0 HA CYS A 327 0.562 3.374 6.127 1.00 0.30 H new ATOM 0 HB2 CYS A 327 -1.246 3.578 3.746 1.00 0.31 H new ATOM 0 HB3 CYS A 327 0.452 3.942 3.509 1.00 0.31 H new ATOM 1344 N LYS A 328 1.589 5.630 5.632 1.00 0.26 N ATOM 1345 CA LYS A 328 2.141 6.981 5.625 1.00 0.27 C ATOM 1346 C LYS A 328 1.977 7.648 4.261 1.00 0.29 C ATOM 1347 O LYS A 328 1.222 8.609 4.116 1.00 0.29 O ATOM 1348 CB LYS A 328 3.621 6.949 6.013 1.00 0.29 C ATOM 1349 CG LYS A 328 3.856 6.896 7.513 1.00 0.32 C ATOM 1350 CD LYS A 328 4.907 7.905 7.948 1.00 0.46 C ATOM 1351 CE LYS A 328 5.164 7.831 9.445 1.00 0.94 C ATOM 1352 NZ LYS A 328 6.552 7.386 9.749 1.00 1.73 N ATOM 0 H LYS A 328 2.285 4.890 5.719 1.00 0.26 H new ATOM 0 HA LYS A 328 1.586 7.569 6.357 1.00 0.27 H new ATOM 0 HB2 LYS A 328 4.091 6.082 5.549 1.00 0.29 H new ATOM 0 HB3 LYS A 328 4.113 7.833 5.608 1.00 0.29 H new ATOM 0 HG2 LYS A 328 2.921 7.095 8.036 1.00 0.32 H new ATOM 0 HG3 LYS A 328 4.173 5.893 7.797 1.00 0.32 H new ATOM 0 HD2 LYS A 328 5.836 7.720 7.409 1.00 0.46 H new ATOM 0 HD3 LYS A 328 4.579 8.910 7.683 1.00 0.46 H new ATOM 0 HE2 LYS A 328 4.991 8.810 9.892 1.00 0.94 H new ATOM 0 HE3 LYS A 328 4.454 7.142 9.902 1.00 0.94 H new ATOM 0 HZ1 LYS A 328 6.687 7.349 10.780 1.00 1.73 H new ATOM 0 HZ2 LYS A 328 6.710 6.441 9.345 1.00 1.73 H new ATOM 0 HZ3 LYS A 328 7.230 8.057 9.335 1.00 1.73 H new ATOM 1366 N TYR A 329 2.696 7.138 3.267 1.00 0.35 N ATOM 1367 CA TYR A 329 2.640 7.690 1.916 1.00 0.40 C ATOM 1368 C TYR A 329 1.221 7.653 1.350 1.00 0.37 C ATOM 1369 O TYR A 329 0.791 8.589 0.676 1.00 0.44 O ATOM 1370 CB TYR A 329 3.586 6.919 0.994 1.00 0.49 C ATOM 1371 CG TYR A 329 3.792 7.578 -0.352 1.00 0.59 C ATOM 1372 CD1 TYR A 329 4.770 8.548 -0.529 1.00 1.32 C ATOM 1373 CD2 TYR A 329 3.007 7.229 -1.445 1.00 1.36 C ATOM 1374 CE1 TYR A 329 4.961 9.152 -1.758 1.00 1.37 C ATOM 1375 CE2 TYR A 329 3.193 7.829 -2.676 1.00 1.42 C ATOM 1376 CZ TYR A 329 4.170 8.789 -2.827 1.00 0.81 C ATOM 1377 OH TYR A 329 4.358 9.388 -4.052 1.00 0.92 O ATOM 0 H TYR A 329 3.326 6.342 3.371 1.00 0.35 H new ATOM 0 HA TYR A 329 2.953 8.733 1.971 1.00 0.40 H new ATOM 0 HB2 TYR A 329 4.552 6.810 1.487 1.00 0.49 H new ATOM 0 HB3 TYR A 329 3.192 5.915 0.841 1.00 0.49 H new ATOM 0 HD1 TYR A 329 5.391 8.835 0.307 1.00 1.32 H new ATOM 0 HD2 TYR A 329 2.240 6.477 -1.330 1.00 1.36 H new ATOM 0 HE1 TYR A 329 5.726 9.904 -1.880 1.00 1.37 H new ATOM 0 HE2 TYR A 329 2.575 7.547 -3.516 1.00 1.42 H new ATOM 0 HH TYR A 329 3.720 9.019 -4.698 1.00 0.92 H new ATOM 1387 N LEU A 330 0.504 6.565 1.615 1.00 0.32 N ATOM 1388 CA LEU A 330 -0.859 6.403 1.118 1.00 0.31 C ATOM 1389 C LEU A 330 -1.763 7.539 1.600 1.00 0.30 C ATOM 1390 O LEU A 330 -2.353 8.257 0.794 1.00 0.37 O ATOM 1391 CB LEU A 330 -1.420 5.051 1.570 1.00 0.33 C ATOM 1392 CG LEU A 330 -2.421 4.394 0.613 1.00 0.36 C ATOM 1393 CD1 LEU A 330 -3.631 5.287 0.390 1.00 0.81 C ATOM 1394 CD2 LEU A 330 -1.751 4.058 -0.711 1.00 0.59 C ATOM 0 H LEU A 330 0.845 5.781 2.172 1.00 0.32 H new ATOM 0 HA LEU A 330 -0.832 6.436 0.029 1.00 0.31 H new ATOM 0 HB2 LEU A 330 -0.587 4.365 1.722 1.00 0.33 H new ATOM 0 HB3 LEU A 330 -1.904 5.184 2.538 1.00 0.33 H new ATOM 0 HG LEU A 330 -2.768 3.467 1.070 1.00 0.36 H new ATOM 0 HD11 LEU A 330 -4.325 4.796 -0.293 1.00 0.81 H new ATOM 0 HD12 LEU A 330 -4.128 5.471 1.342 1.00 0.81 H new ATOM 0 HD13 LEU A 330 -3.309 6.236 -0.040 1.00 0.81 H new ATOM 0 HD21 LEU A 330 -2.476 3.592 -1.378 1.00 0.59 H new ATOM 0 HD22 LEU A 330 -1.371 4.971 -1.169 1.00 0.59 H new ATOM 0 HD23 LEU A 330 -0.925 3.369 -0.536 1.00 0.59 H new ATOM 1406 N LEU A 331 -1.873 7.694 2.916 1.00 0.25 N ATOM 1407 CA LEU A 331 -2.712 8.742 3.494 1.00 0.27 C ATOM 1408 C LEU A 331 -2.228 10.128 3.082 1.00 0.27 C ATOM 1409 O LEU A 331 -3.026 10.999 2.743 1.00 0.33 O ATOM 1410 CB LEU A 331 -2.725 8.635 5.020 1.00 0.31 C ATOM 1411 CG LEU A 331 -3.706 7.611 5.592 1.00 0.34 C ATOM 1412 CD1 LEU A 331 -3.118 6.939 6.823 1.00 1.07 C ATOM 1413 CD2 LEU A 331 -5.032 8.276 5.930 1.00 1.09 C ATOM 0 H LEU A 331 -1.394 7.110 3.601 1.00 0.25 H new ATOM 0 HA LEU A 331 -3.724 8.602 3.114 1.00 0.27 H new ATOM 0 HB2 LEU A 331 -1.721 8.381 5.359 1.00 0.31 H new ATOM 0 HB3 LEU A 331 -2.964 9.614 5.435 1.00 0.31 H new ATOM 0 HG LEU A 331 -3.886 6.847 4.836 1.00 0.34 H new ATOM 0 HD11 LEU A 331 -3.830 6.214 7.217 1.00 1.07 H new ATOM 0 HD12 LEU A 331 -2.193 6.430 6.553 1.00 1.07 H new ATOM 0 HD13 LEU A 331 -2.909 7.691 7.583 1.00 1.07 H new ATOM 0 HD21 LEU A 331 -5.719 7.533 6.336 1.00 1.09 H new ATOM 0 HD22 LEU A 331 -4.868 9.060 6.669 1.00 1.09 H new ATOM 0 HD23 LEU A 331 -5.461 8.712 5.028 1.00 1.09 H new ATOM 1425 N GLU A 332 -0.919 10.324 3.126 1.00 0.27 N ATOM 1426 CA GLU A 332 -0.318 11.607 2.770 1.00 0.29 C ATOM 1427 C GLU A 332 -0.577 11.984 1.308 1.00 0.25 C ATOM 1428 O GLU A 332 -0.705 13.165 0.985 1.00 0.28 O ATOM 1429 CB GLU A 332 1.188 11.573 3.035 1.00 0.36 C ATOM 1430 CG GLU A 332 1.561 11.917 4.468 1.00 0.39 C ATOM 1431 CD GLU A 332 2.384 13.187 4.567 1.00 0.47 C ATOM 1432 OE1 GLU A 332 3.442 13.261 3.907 1.00 1.29 O ATOM 1433 OE2 GLU A 332 1.970 14.106 5.304 1.00 1.14 O ATOM 0 H GLU A 332 -0.247 9.609 3.406 1.00 0.27 H new ATOM 0 HA GLU A 332 -0.787 12.367 3.394 1.00 0.29 H new ATOM 0 HB2 GLU A 332 1.568 10.579 2.798 1.00 0.36 H new ATOM 0 HB3 GLU A 332 1.683 12.273 2.361 1.00 0.36 H new ATOM 0 HG2 GLU A 332 0.652 12.030 5.059 1.00 0.39 H new ATOM 0 HG3 GLU A 332 2.122 11.090 4.902 1.00 0.39 H new ATOM 1440 N GLN A 333 -0.631 10.986 0.424 1.00 0.24 N ATOM 1441 CA GLN A 333 -0.852 11.235 -1.000 1.00 0.22 C ATOM 1442 C GLN A 333 -2.144 12.012 -1.254 1.00 0.22 C ATOM 1443 O GLN A 333 -2.100 13.174 -1.659 1.00 0.27 O ATOM 1444 CB GLN A 333 -0.878 9.915 -1.772 1.00 0.24 C ATOM 1445 CG GLN A 333 0.493 9.462 -2.247 1.00 0.41 C ATOM 1446 CD GLN A 333 0.896 10.104 -3.560 1.00 0.79 C ATOM 1447 OE1 GLN A 333 0.500 9.649 -4.634 1.00 1.61 O ATOM 1448 NE2 GLN A 333 1.689 11.166 -3.481 1.00 1.42 N ATOM 0 H GLN A 333 -0.525 10.001 0.669 1.00 0.24 H new ATOM 0 HA GLN A 333 -0.023 11.848 -1.353 1.00 0.22 H new ATOM 0 HB2 GLN A 333 -1.308 9.140 -1.137 1.00 0.24 H new ATOM 0 HB3 GLN A 333 -1.536 10.021 -2.635 1.00 0.24 H new ATOM 0 HG2 GLN A 333 1.235 9.703 -1.486 1.00 0.41 H new ATOM 0 HG3 GLN A 333 0.494 8.378 -2.361 1.00 0.41 H new ATOM 0 HE21 GLN A 333 1.993 11.509 -2.570 1.00 1.42 H new ATOM 0 HE22 GLN A 333 1.994 11.639 -4.332 1.00 1.42 H new ATOM 1457 N LYS A 334 -3.290 11.367 -1.024 1.00 0.20 N ATOM 1458 CA LYS A 334 -4.591 12.008 -1.242 1.00 0.23 C ATOM 1459 C LYS A 334 -5.271 12.420 0.074 1.00 0.24 C ATOM 1460 O LYS A 334 -6.503 12.525 0.139 1.00 0.26 O ATOM 1461 CB LYS A 334 -5.508 11.081 -2.039 1.00 0.25 C ATOM 1462 CG LYS A 334 -4.942 10.674 -3.390 1.00 0.46 C ATOM 1463 CD LYS A 334 -5.493 11.545 -4.508 1.00 0.60 C ATOM 1464 CE LYS A 334 -4.446 11.808 -5.578 1.00 0.46 C ATOM 1465 NZ LYS A 334 -3.548 12.938 -5.210 1.00 0.90 N ATOM 0 H LYS A 334 -3.345 10.405 -0.688 1.00 0.20 H new ATOM 0 HA LYS A 334 -4.408 12.920 -1.810 1.00 0.23 H new ATOM 0 HB2 LYS A 334 -5.702 10.184 -1.451 1.00 0.25 H new ATOM 0 HB3 LYS A 334 -6.467 11.576 -2.191 1.00 0.25 H new ATOM 0 HG2 LYS A 334 -3.855 10.751 -3.369 1.00 0.46 H new ATOM 0 HG3 LYS A 334 -5.184 9.630 -3.588 1.00 0.46 H new ATOM 0 HD2 LYS A 334 -6.359 11.058 -4.957 1.00 0.60 H new ATOM 0 HD3 LYS A 334 -5.839 12.493 -4.095 1.00 0.60 H new ATOM 0 HE2 LYS A 334 -3.852 10.908 -5.733 1.00 0.46 H new ATOM 0 HE3 LYS A 334 -4.941 12.030 -6.523 1.00 0.46 H new ATOM 0 HZ1 LYS A 334 -2.848 13.086 -5.965 1.00 0.90 H new ATOM 0 HZ2 LYS A 334 -4.112 13.803 -5.086 1.00 0.90 H new ATOM 0 HZ3 LYS A 334 -3.056 12.715 -4.321 1.00 0.90 H new ATOM 1479 N GLY A 335 -4.471 12.676 1.113 1.00 0.26 N ATOM 1480 CA GLY A 335 -5.010 13.098 2.394 1.00 0.32 C ATOM 1481 C GLY A 335 -5.973 12.110 3.034 1.00 0.28 C ATOM 1482 O GLY A 335 -6.481 11.181 2.391 1.00 0.23 O ATOM 0 H GLY A 335 -3.454 12.597 1.086 1.00 0.26 H new ATOM 0 HA2 GLY A 335 -4.182 13.275 3.081 1.00 0.32 H new ATOM 0 HA3 GLY A 335 -5.523 14.051 2.261 1.00 0.32 H new ATOM 1486 N GLN A 336 -6.238 12.334 4.316 1.00 0.32 N ATOM 1487 CA GLN A 336 -7.158 11.494 5.066 1.00 0.32 C ATOM 1488 C GLN A 336 -8.545 11.498 4.422 1.00 0.28 C ATOM 1489 O GLN A 336 -9.271 10.507 4.509 1.00 0.26 O ATOM 1490 CB GLN A 336 -7.253 11.973 6.515 1.00 0.38 C ATOM 1491 CG GLN A 336 -6.392 11.173 7.479 1.00 1.34 C ATOM 1492 CD GLN A 336 -4.937 11.600 7.454 1.00 1.78 C ATOM 1493 OE1 GLN A 336 -4.383 11.896 6.395 1.00 2.31 O ATOM 1494 NE2 GLN A 336 -4.310 11.632 8.624 1.00 2.38 N ATOM 0 H GLN A 336 -5.826 13.094 4.857 1.00 0.32 H new ATOM 0 HA GLN A 336 -6.774 10.474 5.054 1.00 0.32 H new ATOM 0 HB2 GLN A 336 -6.958 13.021 6.562 1.00 0.38 H new ATOM 0 HB3 GLN A 336 -8.292 11.919 6.839 1.00 0.38 H new ATOM 0 HG2 GLN A 336 -6.783 11.287 8.490 1.00 1.34 H new ATOM 0 HG3 GLN A 336 -6.460 10.114 7.229 1.00 1.34 H new ATOM 0 HE21 GLN A 336 -4.809 11.378 9.477 1.00 2.38 H new ATOM 0 HE22 GLN A 336 -3.330 11.910 8.670 1.00 2.38 H new ATOM 1503 N GLU A 337 -8.914 12.612 3.780 1.00 0.29 N ATOM 1504 CA GLU A 337 -10.213 12.727 3.130 1.00 0.30 C ATOM 1505 C GLU A 337 -10.417 11.626 2.092 1.00 0.25 C ATOM 1506 O GLU A 337 -11.455 10.965 2.081 1.00 0.25 O ATOM 1507 CB GLU A 337 -10.354 14.097 2.466 1.00 0.34 C ATOM 1508 CG GLU A 337 -11.544 14.197 1.525 1.00 0.39 C ATOM 1509 CD GLU A 337 -12.162 15.581 1.511 1.00 0.61 C ATOM 1510 OE1 GLU A 337 -11.531 16.507 0.960 1.00 1.44 O ATOM 1511 OE2 GLU A 337 -13.277 15.739 2.051 1.00 1.22 O ATOM 0 H GLU A 337 -8.328 13.443 3.700 1.00 0.29 H new ATOM 0 HA GLU A 337 -10.978 12.617 3.898 1.00 0.30 H new ATOM 0 HB2 GLU A 337 -10.448 14.859 3.240 1.00 0.34 H new ATOM 0 HB3 GLU A 337 -9.443 14.318 1.911 1.00 0.34 H new ATOM 0 HG2 GLU A 337 -11.227 13.934 0.516 1.00 0.39 H new ATOM 0 HG3 GLU A 337 -12.299 13.469 1.822 1.00 0.39 H new ATOM 1518 N TYR A 338 -9.430 11.429 1.218 1.00 0.23 N ATOM 1519 CA TYR A 338 -9.540 10.402 0.188 1.00 0.21 C ATOM 1520 C TYR A 338 -9.596 9.008 0.802 1.00 0.19 C ATOM 1521 O TYR A 338 -10.420 8.182 0.406 1.00 0.19 O ATOM 1522 CB TYR A 338 -8.369 10.487 -0.787 1.00 0.22 C ATOM 1523 CG TYR A 338 -8.516 9.575 -1.987 1.00 0.28 C ATOM 1524 CD1 TYR A 338 -8.136 8.240 -1.920 1.00 1.29 C ATOM 1525 CD2 TYR A 338 -9.034 10.051 -3.184 1.00 1.19 C ATOM 1526 CE1 TYR A 338 -8.270 7.404 -3.014 1.00 1.40 C ATOM 1527 CE2 TYR A 338 -9.172 9.221 -4.282 1.00 1.20 C ATOM 1528 CZ TYR A 338 -8.788 7.900 -4.191 1.00 0.62 C ATOM 1529 OH TYR A 338 -8.923 7.072 -5.282 1.00 0.81 O ATOM 0 H TYR A 338 -8.559 11.959 1.203 1.00 0.23 H new ATOM 0 HA TYR A 338 -10.469 10.580 -0.354 1.00 0.21 H new ATOM 0 HB2 TYR A 338 -8.268 11.516 -1.133 1.00 0.22 H new ATOM 0 HB3 TYR A 338 -7.449 10.236 -0.260 1.00 0.22 H new ATOM 0 HD1 TYR A 338 -7.730 7.849 -0.999 1.00 1.29 H new ATOM 0 HD2 TYR A 338 -9.334 11.086 -3.259 1.00 1.19 H new ATOM 0 HE1 TYR A 338 -7.970 6.369 -2.946 1.00 1.40 H new ATOM 0 HE2 TYR A 338 -9.578 9.606 -5.206 1.00 1.20 H new ATOM 0 HH TYR A 338 -9.304 7.577 -6.030 1.00 0.81 H new ATOM 1539 N ILE A 339 -8.716 8.742 1.763 1.00 0.19 N ATOM 1540 CA ILE A 339 -8.686 7.429 2.409 1.00 0.20 C ATOM 1541 C ILE A 339 -10.020 7.117 3.089 1.00 0.21 C ATOM 1542 O ILE A 339 -10.523 5.995 3.004 1.00 0.29 O ATOM 1543 CB ILE A 339 -7.551 7.313 3.451 1.00 0.22 C ATOM 1544 CG1 ILE A 339 -6.213 7.786 2.868 1.00 0.33 C ATOM 1545 CG2 ILE A 339 -7.437 5.877 3.942 1.00 0.31 C ATOM 1546 CD1 ILE A 339 -5.985 7.368 1.431 1.00 0.39 C ATOM 0 H ILE A 339 -8.023 9.405 2.109 1.00 0.19 H new ATOM 0 HA ILE A 339 -8.501 6.705 1.615 1.00 0.20 H new ATOM 0 HB ILE A 339 -7.796 7.959 4.294 1.00 0.22 H new ATOM 0 HG12 ILE A 339 -6.165 8.873 2.931 1.00 0.33 H new ATOM 0 HG13 ILE A 339 -5.402 7.395 3.482 1.00 0.33 H new ATOM 0 HG21 ILE A 339 -6.634 5.806 4.676 1.00 0.31 H new ATOM 0 HG22 ILE A 339 -8.377 5.574 4.402 1.00 0.31 H new ATOM 0 HG23 ILE A 339 -7.218 5.221 3.100 1.00 0.31 H new ATOM 0 HD11 ILE A 339 -5.018 7.741 1.093 1.00 0.39 H new ATOM 0 HD12 ILE A 339 -5.999 6.280 1.362 1.00 0.39 H new ATOM 0 HD13 ILE A 339 -6.773 7.782 0.802 1.00 0.39 H new ATOM 1558 N ASN A 340 -10.589 8.115 3.757 1.00 0.25 N ATOM 1559 CA ASN A 340 -11.864 7.949 4.446 1.00 0.27 C ATOM 1560 C ASN A 340 -12.984 7.631 3.459 1.00 0.25 C ATOM 1561 O ASN A 340 -13.840 6.789 3.733 1.00 0.24 O ATOM 1562 CB ASN A 340 -12.211 9.212 5.238 1.00 0.34 C ATOM 1563 CG ASN A 340 -11.925 9.062 6.719 1.00 0.97 C ATOM 1564 OD1 ASN A 340 -10.839 9.400 7.190 1.00 1.57 O ATOM 1565 ND2 ASN A 340 -12.901 8.554 7.463 1.00 1.68 N ATOM 0 H ASN A 340 -10.187 9.049 3.836 1.00 0.25 H new ATOM 0 HA ASN A 340 -11.765 7.111 5.136 1.00 0.27 H new ATOM 0 HB2 ASN A 340 -11.640 10.053 4.844 1.00 0.34 H new ATOM 0 HB3 ASN A 340 -13.266 9.448 5.096 1.00 0.34 H new ATOM 0 HD21 ASN A 340 -12.766 8.431 8.466 1.00 1.68 H new ATOM 0 HD22 ASN A 340 -13.786 8.287 7.031 1.00 1.68 H new ATOM 1572 N ASN A 341 -12.972 8.310 2.312 1.00 0.25 N ATOM 1573 CA ASN A 341 -13.987 8.098 1.284 1.00 0.26 C ATOM 1574 C ASN A 341 -14.019 6.637 0.847 1.00 0.24 C ATOM 1575 O ASN A 341 -15.089 6.051 0.685 1.00 0.29 O ATOM 1576 CB ASN A 341 -13.716 8.998 0.077 1.00 0.28 C ATOM 1577 CG ASN A 341 -14.612 8.671 -1.101 1.00 0.36 C ATOM 1578 OD1 ASN A 341 -15.785 9.044 -1.127 1.00 0.94 O ATOM 1579 ND2 ASN A 341 -14.062 7.969 -2.085 1.00 0.99 N ATOM 0 H ASN A 341 -12.270 9.011 2.073 1.00 0.25 H new ATOM 0 HA ASN A 341 -14.958 8.354 1.708 1.00 0.26 H new ATOM 0 HB2 ASN A 341 -13.863 10.039 0.364 1.00 0.28 H new ATOM 0 HB3 ASN A 341 -12.673 8.894 -0.223 1.00 0.28 H new ATOM 0 HD21 ASN A 341 -14.616 7.718 -2.904 1.00 0.99 H new ATOM 0 HD22 ASN A 341 -13.086 7.681 -2.022 1.00 0.99 H new ATOM 1586 N ILE A 342 -12.839 6.051 0.667 1.00 0.19 N ATOM 1587 CA ILE A 342 -12.737 4.656 0.260 1.00 0.21 C ATOM 1588 C ILE A 342 -13.407 3.744 1.281 1.00 0.23 C ATOM 1589 O ILE A 342 -14.240 2.909 0.932 1.00 0.29 O ATOM 1590 CB ILE A 342 -11.268 4.222 0.094 1.00 0.20 C ATOM 1591 CG1 ILE A 342 -10.636 4.926 -1.107 1.00 0.32 C ATOM 1592 CG2 ILE A 342 -11.178 2.712 -0.062 1.00 0.23 C ATOM 1593 CD1 ILE A 342 -9.130 4.790 -1.160 1.00 0.19 C ATOM 0 H ILE A 342 -11.943 6.520 0.797 1.00 0.19 H new ATOM 0 HA ILE A 342 -13.244 4.567 -0.701 1.00 0.21 H new ATOM 0 HB ILE A 342 -10.716 4.510 0.989 1.00 0.20 H new ATOM 0 HG12 ILE A 342 -11.063 4.518 -2.023 1.00 0.32 H new ATOM 0 HG13 ILE A 342 -10.897 5.984 -1.077 1.00 0.32 H new ATOM 0 HG21 ILE A 342 -10.134 2.420 -0.178 1.00 0.23 H new ATOM 0 HG22 ILE A 342 -11.593 2.229 0.823 1.00 0.23 H new ATOM 0 HG23 ILE A 342 -11.742 2.403 -0.942 1.00 0.23 H new ATOM 0 HD11 ILE A 342 -8.748 5.313 -2.037 1.00 0.19 H new ATOM 0 HD12 ILE A 342 -8.694 5.224 -0.260 1.00 0.19 H new ATOM 0 HD13 ILE A 342 -8.862 3.735 -1.221 1.00 0.19 H new ATOM 1605 N HIS A 343 -13.036 3.914 2.547 1.00 0.24 N ATOM 1606 CA HIS A 343 -13.601 3.109 3.623 1.00 0.29 C ATOM 1607 C HIS A 343 -14.961 3.651 4.051 1.00 0.44 C ATOM 1608 O HIS A 343 -15.112 4.177 5.154 1.00 1.24 O ATOM 1609 CB HIS A 343 -12.650 3.082 4.821 1.00 0.37 C ATOM 1610 CG HIS A 343 -13.000 2.042 5.840 1.00 0.61 C ATOM 1611 ND1 HIS A 343 -12.857 2.239 7.197 1.00 1.39 N ATOM 1612 CD2 HIS A 343 -13.492 0.788 5.693 1.00 1.31 C ATOM 1613 CE1 HIS A 343 -13.244 1.152 7.841 1.00 1.38 C ATOM 1614 NE2 HIS A 343 -13.634 0.258 6.951 1.00 1.22 N ATOM 0 H HIS A 343 -12.347 4.602 2.852 1.00 0.24 H new ATOM 0 HA HIS A 343 -13.735 2.093 3.251 1.00 0.29 H new ATOM 0 HB2 HIS A 343 -11.635 2.903 4.465 1.00 0.37 H new ATOM 0 HB3 HIS A 343 -12.652 4.062 5.298 1.00 0.37 H new ATOM 0 HD2 HIS A 343 -13.728 0.297 4.760 1.00 1.31 H new ATOM 0 HE1 HIS A 343 -13.242 1.018 8.913 1.00 1.38 H new ATOM 0 HE2 HIS A 343 -13.984 -0.676 7.164 1.00 1.22 H new ATOM 1623 N LEU A 344 -15.948 3.520 3.171 1.00 1.09 N ATOM 1624 CA LEU A 344 -17.296 3.997 3.456 1.00 1.25 C ATOM 1625 C LEU A 344 -18.251 3.637 2.323 1.00 0.82 C ATOM 1626 O LEU A 344 -19.330 3.091 2.555 1.00 1.55 O ATOM 1627 CB LEU A 344 -17.289 5.512 3.671 1.00 1.98 C ATOM 1628 CG LEU A 344 -17.682 5.969 5.076 1.00 2.64 C ATOM 1629 CD1 LEU A 344 -16.878 7.195 5.482 1.00 3.42 C ATOM 1630 CD2 LEU A 344 -19.173 6.261 5.143 1.00 3.20 C ATOM 0 H LEU A 344 -15.839 3.087 2.254 1.00 1.09 H new ATOM 0 HA LEU A 344 -17.642 3.509 4.367 1.00 1.25 H new ATOM 0 HB2 LEU A 344 -16.291 5.890 3.448 1.00 1.98 H new ATOM 0 HB3 LEU A 344 -17.971 5.968 2.953 1.00 1.98 H new ATOM 0 HG LEU A 344 -17.458 5.164 5.776 1.00 2.64 H new ATOM 0 HD11 LEU A 344 -17.171 7.506 6.485 1.00 3.42 H new ATOM 0 HD12 LEU A 344 -15.815 6.953 5.473 1.00 3.42 H new ATOM 0 HD13 LEU A 344 -17.071 8.006 4.779 1.00 3.42 H new ATOM 0 HD21 LEU A 344 -19.435 6.585 6.150 1.00 3.20 H new ATOM 0 HD22 LEU A 344 -19.422 7.049 4.432 1.00 3.20 H new ATOM 0 HD23 LEU A 344 -19.732 5.359 4.895 1.00 3.20 H new ATOM 1642 N THR A 345 -17.845 3.945 1.095 1.00 0.70 N ATOM 1643 CA THR A 345 -18.662 3.654 -0.076 1.00 0.98 C ATOM 1644 C THR A 345 -17.797 3.208 -1.250 1.00 0.92 C ATOM 1645 O THR A 345 -16.592 3.457 -1.276 1.00 1.29 O ATOM 1646 CB THR A 345 -19.492 4.880 -0.502 1.00 1.71 C ATOM 1647 OG1 THR A 345 -18.913 6.075 0.035 1.00 2.38 O ATOM 1648 CG2 THR A 345 -20.931 4.750 -0.025 1.00 2.36 C ATOM 0 H THR A 345 -16.954 4.396 0.886 1.00 0.70 H new ATOM 0 HA THR A 345 -19.339 2.846 0.203 1.00 0.98 H new ATOM 0 HB THR A 345 -19.489 4.933 -1.591 1.00 1.71 H new ATOM 0 HG1 THR A 345 -19.446 6.850 -0.242 1.00 2.38 H new ATOM 0 HG21 THR A 345 -21.498 5.627 -0.337 1.00 2.36 H new ATOM 0 HG22 THR A 345 -21.378 3.855 -0.458 1.00 2.36 H new ATOM 0 HG23 THR A 345 -20.949 4.675 1.062 1.00 2.36 H new ATOM 1656 N HIS A 346 -18.420 2.547 -2.220 1.00 0.92 N ATOM 1657 CA HIS A 346 -17.706 2.066 -3.397 1.00 0.98 C ATOM 1658 C HIS A 346 -17.158 3.231 -4.216 1.00 0.80 C ATOM 1659 O HIS A 346 -17.815 4.263 -4.360 1.00 0.98 O ATOM 1660 CB HIS A 346 -18.629 1.208 -4.264 1.00 1.38 C ATOM 1661 CG HIS A 346 -19.419 1.998 -5.260 1.00 1.60 C ATOM 1662 ND1 HIS A 346 -19.065 2.106 -6.589 1.00 2.06 N ATOM 1663 CD2 HIS A 346 -20.555 2.722 -5.116 1.00 2.12 C ATOM 1664 CE1 HIS A 346 -19.946 2.862 -7.218 1.00 2.24 C ATOM 1665 NE2 HIS A 346 -20.861 3.248 -6.348 1.00 2.23 N ATOM 0 H HIS A 346 -19.417 2.332 -2.214 1.00 0.92 H new ATOM 0 HA HIS A 346 -16.867 1.458 -3.058 1.00 0.98 H new ATOM 0 HB2 HIS A 346 -18.031 0.466 -4.793 1.00 1.38 H new ATOM 0 HB3 HIS A 346 -19.316 0.662 -3.618 1.00 1.38 H new ATOM 0 HD2 HIS A 346 -21.116 2.860 -4.203 1.00 2.12 H new ATOM 0 HE1 HIS A 346 -19.922 3.121 -8.266 1.00 2.24 H new ATOM 0 HE2 HIS A 346 -21.665 3.841 -6.557 1.00 2.23 H new ATOM 1674 N SER A 347 -15.951 3.057 -4.748 1.00 0.71 N ATOM 1675 CA SER A 347 -15.306 4.089 -5.554 1.00 0.61 C ATOM 1676 C SER A 347 -14.684 3.489 -6.810 1.00 0.63 C ATOM 1677 O SER A 347 -14.640 2.269 -6.970 1.00 0.83 O ATOM 1678 CB SER A 347 -14.233 4.809 -4.734 1.00 0.65 C ATOM 1679 OG SER A 347 -13.779 5.975 -5.400 1.00 0.85 O ATOM 0 H SER A 347 -15.398 2.207 -4.635 1.00 0.71 H new ATOM 0 HA SER A 347 -16.068 4.808 -5.856 1.00 0.61 H new ATOM 0 HB2 SER A 347 -14.636 5.078 -3.758 1.00 0.65 H new ATOM 0 HB3 SER A 347 -13.393 4.137 -4.558 1.00 0.65 H new ATOM 0 HG SER A 347 -13.095 6.418 -4.855 1.00 0.85 H new ATOM 1685 N LEU A 348 -14.207 4.358 -7.702 1.00 0.78 N ATOM 1686 CA LEU A 348 -13.580 3.932 -8.957 1.00 0.89 C ATOM 1687 C LEU A 348 -14.540 3.108 -9.821 1.00 1.24 C ATOM 1688 O LEU A 348 -15.670 2.821 -9.425 1.00 1.53 O ATOM 1689 CB LEU A 348 -12.296 3.136 -8.683 1.00 0.56 C ATOM 1690 CG LEU A 348 -11.033 3.984 -8.525 1.00 0.59 C ATOM 1691 CD1 LEU A 348 -10.577 4.518 -9.874 1.00 0.71 C ATOM 1692 CD2 LEU A 348 -11.278 5.128 -7.552 1.00 1.37 C ATOM 0 H LEU A 348 -14.243 5.370 -7.578 1.00 0.78 H new ATOM 0 HA LEU A 348 -13.323 4.835 -9.512 1.00 0.89 H new ATOM 0 HB2 LEU A 348 -12.437 2.548 -7.776 1.00 0.56 H new ATOM 0 HB3 LEU A 348 -12.142 2.430 -9.499 1.00 0.56 H new ATOM 0 HG LEU A 348 -10.242 3.352 -8.121 1.00 0.59 H new ATOM 0 HD11 LEU A 348 -9.677 5.119 -9.742 1.00 0.71 H new ATOM 0 HD12 LEU A 348 -10.362 3.684 -10.542 1.00 0.71 H new ATOM 0 HD13 LEU A 348 -11.365 5.135 -10.306 1.00 0.71 H new ATOM 0 HD21 LEU A 348 -10.369 5.721 -7.451 1.00 1.37 H new ATOM 0 HD22 LEU A 348 -12.083 5.759 -7.928 1.00 1.37 H new ATOM 0 HD23 LEU A 348 -11.557 4.724 -6.579 1.00 1.37 H new ATOM 1704 N GLU A 349 -14.080 2.735 -11.011 1.00 1.82 N ATOM 1705 CA GLU A 349 -14.892 1.950 -11.934 1.00 2.27 C ATOM 1706 C GLU A 349 -16.177 2.690 -12.293 1.00 2.62 C ATOM 1707 O GLU A 349 -17.272 2.139 -12.189 1.00 3.21 O ATOM 1708 CB GLU A 349 -15.228 0.589 -11.322 1.00 3.06 C ATOM 1709 CG GLU A 349 -15.565 -0.475 -12.353 1.00 3.63 C ATOM 1710 CD GLU A 349 -14.333 -1.042 -13.030 1.00 4.45 C ATOM 1711 OE1 GLU A 349 -13.251 -0.431 -12.904 1.00 5.01 O ATOM 1712 OE2 GLU A 349 -14.449 -2.098 -13.687 1.00 4.90 O ATOM 0 H GLU A 349 -13.149 2.964 -11.359 1.00 1.82 H new ATOM 0 HA GLU A 349 -14.314 1.797 -12.846 1.00 2.27 H new ATOM 0 HB2 GLU A 349 -14.382 0.249 -10.725 1.00 3.06 H new ATOM 0 HB3 GLU A 349 -16.072 0.704 -10.642 1.00 3.06 H new ATOM 0 HG2 GLU A 349 -16.114 -1.283 -11.869 1.00 3.63 H new ATOM 0 HG3 GLU A 349 -16.226 -0.048 -13.108 1.00 3.63 H new ATOM 1719 N GLU A 350 -16.034 3.942 -12.716 1.00 2.94 N ATOM 1720 CA GLU A 350 -17.184 4.758 -13.090 1.00 3.74 C ATOM 1721 C GLU A 350 -16.857 5.643 -14.288 1.00 4.15 C ATOM 1722 O GLU A 350 -15.696 5.776 -14.676 1.00 4.50 O ATOM 1723 CB GLU A 350 -17.628 5.622 -11.909 1.00 4.41 C ATOM 1724 CG GLU A 350 -18.357 4.844 -10.826 1.00 4.80 C ATOM 1725 CD GLU A 350 -19.005 5.747 -9.795 1.00 5.69 C ATOM 1726 OE1 GLU A 350 -20.135 6.218 -10.043 1.00 6.11 O ATOM 1727 OE2 GLU A 350 -18.382 5.983 -8.738 1.00 6.26 O ATOM 0 H GLU A 350 -15.134 4.413 -12.808 1.00 2.94 H new ATOM 0 HA GLU A 350 -17.998 4.088 -13.368 1.00 3.74 H new ATOM 0 HB2 GLU A 350 -16.753 6.103 -11.472 1.00 4.41 H new ATOM 0 HB3 GLU A 350 -18.279 6.416 -12.275 1.00 4.41 H new ATOM 0 HG2 GLU A 350 -19.121 4.217 -11.286 1.00 4.80 H new ATOM 0 HG3 GLU A 350 -17.654 4.176 -10.328 1.00 4.80 H new ATOM 1734 N CYS A 351 -17.888 6.246 -14.871 1.00 4.60 N ATOM 1735 CA CYS A 351 -17.711 7.118 -16.026 1.00 5.37 C ATOM 1736 C CYS A 351 -17.071 6.361 -17.185 1.00 6.00 C ATOM 1737 O CYS A 351 -15.942 6.653 -17.581 1.00 6.19 O ATOM 1738 CB CYS A 351 -16.848 8.325 -15.652 1.00 5.79 C ATOM 1739 SG CYS A 351 -16.992 9.717 -16.796 1.00 6.39 S ATOM 0 H CYS A 351 -18.855 6.147 -14.562 1.00 4.60 H new ATOM 0 HA CYS A 351 -18.694 7.467 -16.342 1.00 5.37 H new ATOM 0 HB2 CYS A 351 -17.124 8.660 -14.652 1.00 5.79 H new ATOM 0 HB3 CYS A 351 -15.805 8.012 -15.606 1.00 5.79 H new ATOM 0 HG CYS A 351 -16.228 10.689 -16.395 1.00 6.39 H new ATOM 1745 N LEU A 352 -17.802 5.386 -17.722 1.00 6.65 N ATOM 1746 CA LEU A 352 -17.314 4.579 -18.837 1.00 7.51 C ATOM 1747 C LEU A 352 -18.385 4.439 -19.915 1.00 8.01 C ATOM 1748 O LEU A 352 -18.655 3.335 -20.387 1.00 8.17 O ATOM 1749 CB LEU A 352 -16.890 3.193 -18.344 1.00 8.12 C ATOM 1750 CG LEU A 352 -15.713 3.183 -17.367 1.00 8.63 C ATOM 1751 CD1 LEU A 352 -15.903 2.101 -16.316 1.00 8.95 C ATOM 1752 CD2 LEU A 352 -14.404 2.978 -18.114 1.00 9.52 C ATOM 0 H LEU A 352 -18.737 5.136 -17.401 1.00 6.65 H new ATOM 0 HA LEU A 352 -16.450 5.085 -19.268 1.00 7.51 H new ATOM 0 HB2 LEU A 352 -17.745 2.718 -17.863 1.00 8.12 H new ATOM 0 HB3 LEU A 352 -16.630 2.581 -19.208 1.00 8.12 H new ATOM 0 HG LEU A 352 -15.674 4.149 -16.863 1.00 8.63 H new ATOM 0 HD11 LEU A 352 -15.057 2.108 -15.629 1.00 8.95 H new ATOM 0 HD12 LEU A 352 -16.822 2.290 -15.761 1.00 8.95 H new ATOM 0 HD13 LEU A 352 -15.967 1.128 -16.803 1.00 8.95 H new ATOM 0 HD21 LEU A 352 -13.577 2.973 -17.404 1.00 9.52 H new ATOM 0 HD22 LEU A 352 -14.433 2.026 -18.644 1.00 9.52 H new ATOM 0 HD23 LEU A 352 -14.263 3.788 -18.830 1.00 9.52 H new ATOM 1764 N VAL A 353 -18.985 5.570 -20.291 1.00 8.52 N ATOM 1765 CA VAL A 353 -20.034 5.612 -21.313 1.00 9.24 C ATOM 1766 C VAL A 353 -21.348 5.008 -20.809 1.00 9.91 C ATOM 1767 O VAL A 353 -22.336 5.722 -20.639 1.00 10.34 O ATOM 1768 CB VAL A 353 -19.606 4.908 -22.621 1.00 9.65 C ATOM 1769 CG1 VAL A 353 -20.553 5.270 -23.754 1.00 10.11 C ATOM 1770 CG2 VAL A 353 -18.174 5.274 -22.980 1.00 9.79 C ATOM 0 H VAL A 353 -18.758 6.483 -19.896 1.00 8.52 H new ATOM 0 HA VAL A 353 -20.196 6.668 -21.530 1.00 9.24 H new ATOM 0 HB VAL A 353 -19.654 3.830 -22.465 1.00 9.65 H new ATOM 0 HG11 VAL A 353 -20.237 4.766 -24.667 1.00 10.11 H new ATOM 0 HG12 VAL A 353 -21.565 4.956 -23.497 1.00 10.11 H new ATOM 0 HG13 VAL A 353 -20.537 6.349 -23.911 1.00 10.11 H new ATOM 0 HG21 VAL A 353 -17.890 4.769 -23.903 1.00 9.79 H new ATOM 0 HG22 VAL A 353 -18.098 6.353 -23.118 1.00 9.79 H new ATOM 0 HG23 VAL A 353 -17.507 4.963 -22.176 1.00 9.79 H new ATOM 1780 N ARG A 354 -21.361 3.699 -20.570 1.00 10.23 N ATOM 1781 CA ARG A 354 -22.561 3.025 -20.087 1.00 11.06 C ATOM 1782 C ARG A 354 -22.234 1.621 -19.590 1.00 11.65 C ATOM 1783 O ARG A 354 -22.873 0.649 -19.993 1.00 11.81 O ATOM 1784 CB ARG A 354 -23.613 2.955 -21.195 1.00 11.36 C ATOM 1785 CG ARG A 354 -25.025 2.721 -20.681 1.00 12.01 C ATOM 1786 CD ARG A 354 -25.561 3.942 -19.951 1.00 12.42 C ATOM 1787 NE ARG A 354 -26.924 4.274 -20.366 1.00 12.78 N ATOM 1788 CZ ARG A 354 -27.252 4.840 -21.535 1.00 13.42 C ATOM 1789 NH1 ARG A 354 -26.327 5.157 -22.444 1.00 13.75 N ATOM 1790 NH2 ARG A 354 -28.526 5.094 -21.799 1.00 13.89 N ATOM 0 H ARG A 354 -20.556 3.086 -20.703 1.00 10.23 H new ATOM 0 HA ARG A 354 -22.960 3.602 -19.253 1.00 11.06 H new ATOM 0 HB2 ARG A 354 -23.592 3.885 -21.764 1.00 11.36 H new ATOM 0 HB3 ARG A 354 -23.349 2.153 -21.885 1.00 11.36 H new ATOM 0 HG2 ARG A 354 -25.682 2.478 -21.516 1.00 12.01 H new ATOM 0 HG3 ARG A 354 -25.031 1.862 -20.010 1.00 12.01 H new ATOM 0 HD2 ARG A 354 -25.544 3.759 -18.877 1.00 12.42 H new ATOM 0 HD3 ARG A 354 -24.907 4.793 -20.140 1.00 12.42 H new ATOM 0 HE ARG A 354 -27.681 4.058 -19.717 1.00 12.78 H new ATOM 0 HH11 ARG A 354 -25.342 4.969 -22.256 1.00 13.75 H new ATOM 0 HH12 ARG A 354 -26.605 5.587 -23.326 1.00 13.75 H new ATOM 0 HH21 ARG A 354 -29.245 4.859 -21.115 1.00 13.89 H new ATOM 0 HH22 ARG A 354 -28.787 5.525 -22.686 1.00 13.89 H new ATOM 1804 N THR A 355 -21.233 1.532 -18.713 1.00 12.17 N ATOM 1805 CA THR A 355 -20.797 0.257 -18.143 1.00 12.94 C ATOM 1806 C THR A 355 -20.477 -0.773 -19.227 1.00 13.51 C ATOM 1807 O THR A 355 -20.792 -1.955 -19.085 1.00 13.79 O ATOM 1808 CB THR A 355 -21.853 -0.324 -17.178 1.00 13.46 C ATOM 1809 OG1 THR A 355 -22.917 -0.944 -17.911 1.00 13.53 O ATOM 1810 CG2 THR A 355 -22.421 0.766 -16.281 1.00 13.87 C ATOM 0 H THR A 355 -20.704 2.338 -18.379 1.00 12.17 H new ATOM 0 HA THR A 355 -19.885 0.468 -17.584 1.00 12.94 H new ATOM 0 HB THR A 355 -21.363 -1.074 -16.557 1.00 13.46 H new ATOM 0 HG1 THR A 355 -23.087 -0.438 -18.733 1.00 13.53 H new ATOM 0 HG21 THR A 355 -23.163 0.334 -15.609 1.00 13.87 H new ATOM 0 HG22 THR A 355 -21.617 1.211 -15.695 1.00 13.87 H new ATOM 0 HG23 THR A 355 -22.891 1.534 -16.895 1.00 13.87 H new ATOM 1818 N THR A 356 -19.842 -0.316 -20.306 1.00 13.83 N ATOM 1819 CA THR A 356 -19.474 -1.193 -21.414 1.00 14.54 C ATOM 1820 C THR A 356 -20.695 -1.905 -21.988 1.00 15.31 C ATOM 1821 O THR A 356 -21.825 -1.440 -21.730 1.00 15.71 O ATOM 1822 CB THR A 356 -18.434 -2.246 -20.982 1.00 14.80 C ATOM 1823 OG1 THR A 356 -19.095 -3.416 -20.485 1.00 14.91 O ATOM 1824 CG2 THR A 356 -17.507 -1.688 -19.913 1.00 14.32 C ATOM 1825 OXT THR A 356 -20.510 -2.921 -22.691 1.00 15.63 O ATOM 0 H THR A 356 -19.572 0.659 -20.435 1.00 13.83 H new ATOM 0 HA THR A 356 -19.036 -0.556 -22.183 1.00 14.54 H new ATOM 0 HB THR A 356 -17.837 -2.511 -21.855 1.00 14.80 H new ATOM 0 HG1 THR A 356 -19.706 -3.164 -19.761 1.00 14.91 H new ATOM 0 HG21 THR A 356 -16.783 -2.450 -19.625 1.00 14.32 H new ATOM 0 HG22 THR A 356 -16.981 -0.818 -20.306 1.00 14.32 H new ATOM 0 HG23 THR A 356 -18.092 -1.396 -19.041 1.00 14.32 H new TER 1833 THR A 356 HETATM 1834 ZN ZN A 999 -0.705 -0.284 4.416 1.00 0.21 ZN HETATM 1835 C1 998 A 998 -0.273 -13.416 5.858 1.00 1.00 C HETATM 1836 C2 998 A 998 -1.673 -13.930 6.146 1.00 2.00 C HETATM 1837 C3 998 A 998 0.814 -13.650 6.726 1.00 3.00 C HETATM 1838 C4 998 A 998 -0.071 -12.676 4.672 1.00 4.00 C HETATM 1839 N5 998 A 998 -2.654 -12.845 5.891 1.00 5.00 N HETATM 1840 C6 998 A 998 -1.835 -14.430 7.611 1.00 6.00 C HETATM 1841 C7 998 A 998 0.668 -14.435 7.997 1.00 7.00 C HETATM 1842 C8 998 A 998 2.088 -13.144 6.410 1.00 8.00 C HETATM 1843 C9 998 A 998 1.205 -12.174 4.363 1.00 9.00 C HETATM 1844 C10 998 A 998 -3.962 -13.068 5.779 1.00 10.00 C HETATM 1845 C11 998 A 998 -0.627 -15.238 8.097 1.00 11.00 C HETATM 1846 C12 998 A 998 2.282 -12.408 5.229 1.00 12.00 C HETATM 1847 C13 998 A 998 -4.887 -11.886 5.609 1.00 13.00 C HETATM 1848 O14 998 A 998 -4.414 -14.216 5.830 1.00 14.00 O HETATM 1849 N15 998 A 998 -5.997 -12.187 4.658 1.00 15.00 N HETATM 1850 C16 998 A 998 -5.486 -11.479 6.967 1.00 16.00 C HETATM 1851 C17 998 A 998 -5.934 -12.509 3.349 1.00 17.00 C HETATM 1852 C18 998 A 998 -7.232 -12.052 5.430 1.00 18.00 C HETATM 1853 C19 998 A 998 -6.960 -11.218 6.670 1.00 19.00 C HETATM 1854 C20 998 A 998 -7.234 -12.705 2.583 1.00 20.00 C HETATM 1855 O21 998 A 998 -4.856 -12.627 2.748 1.00 21.00 O HETATM 1856 N22 998 A 998 -7.058 -12.241 1.192 1.00 22.00 N HETATM 1857 C23 998 A 998 -7.664 -14.194 2.587 1.00 23.00 C HETATM 1858 C24 998 A 998 -7.739 -11.182 0.743 1.00 24.00 C HETATM 1859 C25 998 A 998 -9.093 -14.287 3.116 1.00 25.00 C HETATM 1860 C26 998 A 998 -6.742 -15.008 3.495 1.00 26.00 C HETATM 1861 C27 998 A 998 -7.621 -14.766 1.172 1.00 27.00 C HETATM 1862 C28 998 A 998 -7.543 -10.707 -0.680 1.00 28.00 C HETATM 1863 O29 998 A 998 -8.526 -10.589 1.485 1.00 29.00 O HETATM 1864 N30 998 A 998 -8.702 -9.911 -1.097 1.00 30.00 N HETATM 1865 C31 998 A 998 -6.281 -9.857 -0.778 1.00 31.00 C HETATM 1866 CNM 998 A 998 -9.658 -10.771 -1.796 1.00 32.00 C HETATM 0 HT33 998 A 998 -8.300 -14.203 0.531 1.00 27.00 H new HETATM 0 HT32 998 A 998 -6.607 -14.691 0.780 1.00 27.00 H new HETATM 0 HT31 998 A 998 -7.926 -15.812 1.193 1.00 27.00 H new HETATM 0 HT23 998 A 998 -5.717 -14.934 3.133 1.00 26.00 H new HETATM 0 HT22 998 A 998 -6.796 -14.619 4.512 1.00 26.00 H new HETATM 0 HT21 998 A 998 -7.055 -16.052 3.489 1.00 26.00 H new HETATM 0 HT13 998 A 998 -9.133 -13.887 4.129 1.00 25.00 H new HETATM 0 HT12 998 A 998 -9.758 -13.711 2.472 1.00 25.00 H new HETATM 0 HT11 998 A 998 -9.411 -15.330 3.125 1.00 25.00 H new HETATM 0 HW2 998 A 998 1.513 -15.118 8.087 1.00 7.00 H new HETATM 0 HW1 998 A 998 0.722 -13.749 8.842 1.00 7.00 H new HETATM 0 HV2 998 A 998 -0.786 -15.544 9.131 1.00 11.00 H new HETATM 0 HV1 998 A 998 -0.537 -16.149 7.505 1.00 11.00 H new HETATM 0 HTA 998 A 998 -8.016 -12.124 3.072 1.00 20.00 H new HETATM 0 HS2 998 A 998 -1.982 -13.573 8.269 1.00 6.00 H new HETATM 0 HS1 998 A 998 -2.732 -15.046 7.683 1.00 6.00 H new HETATM 0 HR2 998 A 998 -8.004 -11.580 4.823 1.00 18.00 H new HETATM 0 HR1 998 A 998 -7.606 -13.036 5.714 1.00 18.00 H new HETATM 0 HQ2 998 A 998 -7.596 -11.520 7.503 1.00 19.00 H new HETATM 0 HQ1 998 A 998 -7.151 -10.160 6.490 1.00 19.00 H new HETATM 0 HPA 998 A 998 -4.294 -11.067 5.202 1.00 13.00 H new HETATM 0 HP2 998 A 998 -5.364 -12.269 7.708 1.00 16.00 H new HETATM 0 HP1 998 A 998 -4.998 -10.590 7.366 1.00 16.00 H new HETATM 0 HM3 998 A 998 -9.181 -11.206 -2.674 1.00 32.00 H new HETATM 0 HM2 998 A 998 -9.986 -11.568 -1.129 1.00 32.00 H new HETATM 0 HM1 998 A 998 -10.520 -10.180 -2.106 1.00 32.00 H new HETATM 0 HB3 998 A 998 -6.373 -8.992 -0.121 1.00 31.00 H new HETATM 0 HB2 998 A 998 -5.418 -10.451 -0.477 1.00 31.00 H new HETATM 0 HB1 998 A 998 -6.148 -9.520 -1.806 1.00 31.00 H new HETATM 0 HAA 998 A 998 -7.441 -11.574 -1.333 1.00 28.00 H new HETATM 0 H67 998 A 998 -8.823 -8.913 -0.926 1.00 30.00 H new HETATM 0 H53 998 A 998 -6.414 -12.731 0.571 1.00 22.00 H new HETATM 0 H44 998 A 998 -2.312 -11.889 5.798 1.00 5.00 H new HETATM 0 H43 998 A 998 -1.851 -14.780 5.487 1.00 2.00 H new HETATM 0 H36 998 A 998 2.927 -13.323 7.083 1.00 8.00 H new HETATM 0 H35 998 A 998 -0.906 -12.494 3.995 1.00 4.00 H new HETATM 0 H34 998 A 998 1.357 -11.602 3.448 1.00 9.00 H new HETATM 0 H33 998 A 998 3.271 -12.019 4.986 1.00 12.00 H new CONECT 932 1834 CONECT 980 1834 CONECT 1225 1834 CONECT 1339 1834 CONECT 1834 932 980 1225 1339 CONECT 1835 1836 1837 1838 CONECT 1836 1835 1839 1840 1867 CONECT 1837 1835 1841 1842 CONECT 1838 1835 1843 1868 CONECT 1839 1836 1844 1869 CONECT 1840 1836 1845 1870 1871 CONECT 1841 1837 1845 1872 1873 CONECT 1842 1837 1846 1874 CONECT 1843 1838 1846 1875 CONECT 1844 1839 1847 1848 CONECT 1845 1840 1841 1876 1877 CONECT 1846 1842 1843 1878 CONECT 1847 1844 1849 1850 1879 CONECT 1848 1844 CONECT 1849 1847 1851 1852 CONECT 1850 1847 1853 1880 1881 CONECT 1851 1849 1854 1855 CONECT 1852 1849 1853 1882 1883 CONECT 1853 1850 1852 1884 1885 CONECT 1854 1851 1856 1857 1886 CONECT 1855 1851 CONECT 1856 1854 1858 1887 CONECT 1857 1854 1859 1860 1861 CONECT 1858 1856 1862 1863 CONECT 1859 1857 1888 1889 1890 CONECT 1860 1857 1891 1892 1893 CONECT 1861 1857 1894 1895 1896 CONECT 1862 1858 1864 1865 1897 CONECT 1863 1858 CONECT 1864 1862 1866 1898 CONECT 1865 1862 1899 1900 1901 CONECT 1866 1864 1902 1903 1904 CONECT 1867 1836 CONECT 1868 1838 CONECT 1869 1839 CONECT 1870 1840 CONECT 1871 1840 CONECT 1872 1841 CONECT 1873 1841 CONECT 1874 1842 CONECT 1875 1843 CONECT 1876 1845 CONECT 1877 1845 CONECT 1878 1846 CONECT 1879 1847 CONECT 1880 1850 CONECT 1881 1850 CONECT 1882 1852 CONECT 1883 1852 CONECT 1884 1853 CONECT 1885 1853 CONECT 1886 1854 CONECT 1887 1856 CONECT 1888 1859 CONECT 1889 1859 CONECT 1890 1859 CONECT 1891 1860 CONECT 1892 1860 CONECT 1893 1860 CONECT 1894 1861 CONECT 1895 1861 CONECT 1896 1861 CONECT 1897 1862 CONECT 1898 1864 CONECT 1899 1865 CONECT 1900 1865 CONECT 1901 1865 CONECT 1902 1866 CONECT 1903 1866 CONECT 1904 1866 END