USER MOD reduce.3.24.130724 H: found=0, std=0, add=1877, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1873 hydrogens (4 hets) HEADER TRANSFERASE 16-DEC-05 2FEW TITLE COMPLEX OF ENZYME IIAMTL AND PHOSPHORYLATED ENZYME IIBMTL TITLE 2 FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PTS SYSTEM MANNITOL-SPECIFIC EIICBA COMPONENT; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: EIIA-MTL, PHOSPHOTRANSFERASE ENZYME II, A DOMAIN COMPND 5 COMPONENT; COMPND 6 EC: 2.7.1.69; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: MANNITOL-SPECIFIC PTS SYSTEM ENZYME IIABC COMPND 1 COMPONENTS; COMPND 2 CHAIN: B; COMPND 3 FRAGMENT: EIIB-MTL, PHOSPHOTRANSFERASE ENZYME II, B DOMAIN COMPND 4 COMPONENT; COMPND 5 EC: 2.7.1.69; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 STRAIN: GI698; SOURCE 5 GENE: MTLA; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7; SOURCE 0 ORGANISM_TAXID: 83334; SOURCE 1 STRAIN: GI698; SOURCE 2 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 3 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT, KEYWDS 2 COMPLEX (TRANSFERASE/PHOSPHOCARRIER) EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,J.Y.SUH REVDAT 3 24-FEB-09 2FEW 1 VERSN REVDAT 2 25-APR-06 2FEW 1 JRNL REVDAT 1 07-FEB-06 2FEW 0 JRNL AUTH J.Y.SUH,M.CAI,D.C.WILLIAMS JR.,G.M.CLORE JRNL TITL SOLUTION STRUCTURE OF A POST-TRANSITION STATE JRNL TITL 2 ANALOG OF THE PHOSPHOTRANSFER REACTION BETWEEN THE JRNL TITL 3 A AND B CYTOPLASMIC DOMAINS OF THE MANNITOL JRNL TITL 4 TRANSPORTER IIMANNITOL OF THE ESCHERICHIA COLI JRNL TITL 5 PHOSPHOTRANSFERASE SYSTEM JRNL REF J.BIOL.CHEM. V. 281 8939 2006 JRNL REFN ISSN 0021-9258 JRNL PMID 16443929 JRNL DOI 10.1074/JBC.M513466200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR-NIH REMARK 3 AUTHORS : SCHWIETERS,KUSZEWSKI,TJANDRA,CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES WERE CALCULATED BY CONJOINED RIGID BODY/TORSION REMARK 3 ANGLE DYNAMICS (SCHWIETERS & CLORE (2001) J.MAGN.RESON 152, 288- REMARK 3 302) THE TARGET FUNCTIONS COMPRISES TERMS FOR THE EXPERIMENTAL REMARK 3 NOE RESTRAINTS AND SIDECHAIN TORSION ANGLE RESTRAINTS; A QUARTIC REMARK 3 VAN DER WAALS REPULSION TERM (NILGES ET AL. (1988) FEBS LETT. REMARK 3 229, 129-136); A MULTIIMENSIONAL TORSION ANGLE DATABASE REMARK 3 POTENTIAL OF MEAN FORCE (CLORE & KUSZEWSKI (2002) J.AM.CHEM.SOC. REMARK 3 124, 2866-2867); AND A RADIUS OF GYRATION POTENTIAL (KUSZEWSKI REMARK 3 ET AL (1999) J.AM.CHEM.SOC. 121, 2337-2338). THE STARTING REMARK 3 COORDINATES OF PHOSPHOIIBMTL ARE TAKEN FROM THE NMR STRUCTURE REMARK 3 ((PDB ACCESSION CODE 1VRV, SUH ET AL. (2005) J.MOL.BIOL. 353, REMARK 3 1129-1136). THE STARTING STRUCTURE FOR IIAMTL IS TAKEN FROM THE REMARK 3 COORDINATES OF IIAMTL IN THE IIAMTL-HPR COMPLEX (PDB ACCESSION REMARK 3 CODE 1J6T; CORNILESCU ET AL. (2002) J.BIOL.CHEM. 277,42289- REMARK 3 42298). THE COORDINATES OF IIAMTL IN THIS COMPLEX ARE DERIVED REMARK 3 FROM MOLECULE D OF THE 1.8A RESOLUTION CRYSTAL STRUCTURE OF REMARK 3 IIAMTL PDB ACCESSION CODE 1A3A, VAN MONTFORT ET AL. STRUCTURE 5, REMARK 3 217-225 (1998)). IN THE STRUCTURE DETERMINATION OF THE IIAMTL- REMARK 3 PHOSPHOIIBMTL COMPLEX, THE BACKBONE COORDINATES AND NON- REMARK 3 INTERFACIAL SIDECHAINS ARE TREATED AS RIGID BODIES THROUGHOUT REMARK 3 WITH IIAMTL HELD FIXED AND PHOSPHOIIBMTL ALLOWED TO ROTATE AND REMARK 3 TRANSLATE. THE INTERFACIAL SIDECHAINS ARE GIVEN FULL TORSIONAL REMARK 3 DEGREES OF FREEDOM. REMARK 3 REMARK 3 IN THIS ENTRY THE LAST COLUMN REPRESENTS THE AVERAGE RMS REMARK 3 DIFFERENCE BETWEEN THE INDIVIDUAL SIMULATED ANNEALING REMARK 3 STRUCTURES (TOTAL OF 200) AND THE MEAN COORDINATE POSITIONS. IT REMARK 3 IS IMPORTANT TO NOTE THAT THE VALUES GIVEN FOR THE BACKBONE REMARK 3 ATOMS AND NON-INTERFACIAL SIDECHAINS PROVIDE ONLY A REMARK 3 MEASURE OF THE PRECISION WITH WHICH THE RELATIVE REMARK 3 OF THE TWO PROTEINS HAVE BEEN DETERMINED AND DOES REMARK 3 NOT TAKE INTO ACCOUNT THE ERRORS IN THE NMR COORDINATES REMARK 3 OF PHOSPHOIIBMTL AND THE XRAY/NMR COORDINATES OF IIAMTL. REMARK 3 REMARK 3 THE COORDINATES DEPOSITED CORRESPOND TO THE RESTRAINED REMARK 3 REGULARIZED MEAN COORDINATES. THE STRUCTURE IS BASED ON REMARK 3 84 INTERMOLECULAR NOE RESTRAINTS BETWEEN IIAMTL AND IIBMTL; REMARK 3 37 INTRAMOLECULAR NOE RESTRAINTS FOR IIAMTL AND 46 REMARK 3 46 INTRAMOLECULAR NOE RESTRAINTS FOR IIBMTL RELATED REMARK 3 ONLY TO INTERFACIAL SIDECHAINS; AND 55 SIDECHAIN TORSION ANGLE REMARK 3 RESTRAINTS (36 FOR IIAMTL AND 19 FOR IIBMTL) RELATED REMARK 3 TO INTERFACIAL SIDECHAINS ONLY. REMARK 3 DEVIATIONS FROM NOE DISTANCE RESTRAINTS: 0.009 A REMARK 3 DEVIATIONS FROM SIDECHAIN TORSION ANGLE RESTRAINTS: 0.31 DEG REMARK 3 DEVIATIONS FROM IDEALIZED GEOMETRY: BONDS 0.006A, REMARK 3 ANGLES: 0.9 DEG, IMPROPER TORSIONS 1.3 DEG. REMARK 4 REMARK 4 2FEW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-DEC-05. REMARK 100 THE RCSB ID CODE IS RCSB035795. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303.00 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 20 MM TRIS-D11 REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ, REMARK 210 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX500, DMX600, DRX600, REMARK 210 DRX750, DRX800 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : CONJOINED RIGID BODY/TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REGULARIZED MEAN STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE FOLLOWING EXPERIMENTS WERE CONDUCTED: (1) TRIPLE REMARK 210 RESONANCE FOR ASSIGNMENT OF PROTEINS; (2) QUANTITATIVE J REMARK 210 CORRELATION FOR COUPLING CONSTANTS; (3) 3D AND 4D REMARK 210 HETERONUCLEAR SEPARATED AND FILTERED NOE EXPERIMENTS; (4) IPAP REMARK 210 EXPERIMENTS FOR DIPOLAR COUPLINGS. DIPOLAR COUPLINGS WERE REMARK 210 MEASURED IN A NEUTRAL AXIALLY STRETCHED POLYACRYLAMIDE GEL. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 1 REMARK 465 ALA A 2 REMARK 465 ASN A 3 REMARK 465 LYS A 148 REMARK 465 THR B 472 REMARK 465 GLU B 473 REMARK 465 ASN B 474 REMARK 465 GLU B 475 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 ARG A 147 O REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE1 GLU A 39 NH1 ARG A 73 1.88 REMARK 500 OE1 GLU A 41 NH2 ARG A 73 2.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 53 138.00 -172.46 REMARK 500 GLU A 110 32.15 -84.76 REMARK 500 ARG B 378 -3.03 -143.14 REMARK 500 ASP B 454 79.20 -61.94 REMARK 500 REMARK 500 REMARK: NULL REMARK 999 REMARK 999 SEQUENCE REMARK 999 RESIDUE NUMBERING: REMARK 999 IIAMTL: 4-147 (RESIDUES 1-3 ARE DISORDERED REMARK 999 IN SOLUTION AND NOT VISIBLE IN THE ELECTRON DENSITY REMARK 999 MAP OF THE CRYSTAL STRUCTURE OF THE FREE PROTEIN). REMARK 999 IN INTACT ENZYME IIMTL, THESE COORESPOND TO REMARK 999 RESIDUES 493-636 OF INTACT ENZYME IIMTL. REMARK 999 IIBMTL: 375-471 (CORRESPONDS TO NUMBERING IN INTACT IIMTL) REMARK 999 PHOSPHATE: RESIDUE 200 DBREF 2FEW A 2 148 UNP P00550 PTM3C_ECOLI 491 637 DBREF 2FEW B 375 475 GB 13363950 BAB37898 375 475 SEQADV 2FEW MET A 1 UNP P00550 INITIATING METHIONINE SEQADV 2FEW GLN A 65 UNP P00550 HIS 554 ENGINEERED SEQADV 2FEW SEP B 384 GB 13363950 CYS 384 ENGINEERED SEQRES 1 A 148 MET ALA ASN LEU PHE LYS LEU GLY ALA GLU ASN ILE PHE SEQRES 2 A 148 LEU GLY ARG LYS ALA ALA THR LYS GLU GLU ALA ILE ARG SEQRES 3 A 148 PHE ALA GLY GLU GLN LEU VAL LYS GLY GLY TYR VAL GLU SEQRES 4 A 148 PRO GLU TYR VAL GLN ALA MET LEU ASP ARG GLU LYS LEU SEQRES 5 A 148 THR PRO THR TYR LEU GLY GLU SER ILE ALA VAL PRO GLN SEQRES 6 A 148 GLY THR VAL GLU ALA LYS ASP ARG VAL LEU LYS THR GLY SEQRES 7 A 148 VAL VAL PHE CYS GLN TYR PRO GLU GLY VAL ARG PHE GLY SEQRES 8 A 148 GLU GLU GLU ASP ASP ILE ALA ARG LEU VAL ILE GLY ILE SEQRES 9 A 148 ALA ALA ARG ASN ASN GLU HIS ILE GLN VAL ILE THR SER SEQRES 10 A 148 LEU THR ASN ALA LEU ASP ASP GLU SER VAL ILE GLU ARG SEQRES 11 A 148 LEU ALA HIS THR THR SER VAL ASP GLU VAL LEU GLU LEU SEQRES 12 A 148 LEU ALA GLY ARG LYS SEQRES 1 B 101 SER HIS VAL ARG LYS ILE ILE VAL ALA SEP ASP ALA GLY SEQRES 2 B 101 MET GLY SER SER ALA MET GLY ALA GLY VAL LEU ARG LYS SEQRES 3 B 101 LYS ILE GLN ASP ALA GLY LEU SER GLN ILE SER VAL THR SEQRES 4 B 101 ASN SER ALA ILE ASN ASN LEU PRO PRO ASP VAL ASP LEU SEQRES 5 B 101 VAL ILE THR HIS ARG ASP LEU THR GLU ARG ALA MET ARG SEQRES 6 B 101 GLN VAL PRO GLN ALA GLN HIS ILE SER LEU THR ASN PHE SEQRES 7 B 101 LEU ASP SER GLY LEU TYR THR SER LEU THR GLU ARG LEU SEQRES 8 B 101 VAL ALA ALA GLN ARG HIS THR GLU ASN GLU MODRES 2FEW SEP B 384 SER PHOSPHOSERINE HET SEP B 384 14 HETNAM SEP PHOSPHOSERINE HETSYN SEP PHOSPHONOSERINE FORMUL 2 SEP C3 H8 N O6 P HELIX 1 1 GLY A 8 GLU A 10 5 3 HELIX 2 2 THR A 20 GLY A 35 1 16 HELIX 3 3 GLU A 41 THR A 53 1 13 HELIX 4 4 THR A 67 VAL A 74 5 8 HELIX 5 5 ALA A 106 ASN A 109 5 4 HELIX 6 6 GLU A 110 LEU A 122 1 13 HELIX 7 7 ASP A 124 THR A 134 1 11 HELIX 8 8 SER A 136 ALA A 145 1 10 HELIX 9 9 GLY B 389 ALA B 405 1 17 HELIX 10 10 ARG B 431 VAL B 441 1 11 HELIX 11 11 ASP B 454 HIS B 471 1 18 SHEET 1 A 4 ILE A 12 PHE A 13 0 SHEET 2 A 4 GLY A 78 ARG A 89 1 O GLN A 83 N PHE A 13 SHEET 3 A 4 ILE A 97 ALA A 105 -1 O ARG A 99 N TYR A 84 SHEET 4 A 4 ILE A 61 ALA A 62 1 N ALA A 62 O ILE A 102 SHEET 1 B 4 SER B 411 ALA B 416 0 SHEET 2 B 4 LYS B 379 SEP B 384 1 N VAL B 382 O SER B 415 SHEET 3 B 4 LEU B 426 HIS B 430 1 O ILE B 428 N ILE B 381 SHEET 4 B 4 GLN B 445 LEU B 449 1 O GLN B 445 N VAL B 427 LINK C ALA B 383 N SEP B 384 1555 1555 1.33 LINK C SEP B 384 N ASP B 385 1555 1555 1.33 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 384 SEP H2 : B 384 SEP N : B 383 ALA C :(H bumps) USER MOD NoAdj-H: B 384 SEP H : B 384 SEP N : B 383 ALA C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 163:sc= -0.492 USER MOD Set 1.2: A 65 GLN : amide:sc= -6.7! C(o=-7.2!,f=-13!) USER MOD Set 2.1: A 42 TYR OH : rot 150:sc= 1.78 USER MOD Set 2.2: A 111 HIS :FLIP no HD1:sc= -3.48! F(o=-2.6,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0166) USER MOD Single : A 11 ASN : amide:sc= -12.8! C(o=-13!,f=-28!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -65:sc= -0.573 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.497 K(o=-0.5,f=-2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.578 K(o=0.58,f=-1.2) USER MOD Single : A 46 MET CE :methyl 153:sc= -0.0755 (180deg=-0.896) USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.0241 (180deg=-0.347) USER MOD Single : A 53 THR OG1 : rot -2:sc= 0.297 USER MOD Single : A 56 TYR OH : rot 43:sc= 1.02 USER MOD Single : A 60 SER OG : rot 64:sc= 0.807 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 0.257 (180deg=0.0984) USER MOD Single : A 77 THR OG1 : rot -103:sc= 0.289 USER MOD Single : A 82 CYS SG : rot -119:sc= 0.0496 USER MOD Single : A 83 GLN : amide:sc= 2.24 K(o=2.2,f=-4.3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -17.5! C(o=-18!,f=-17!) USER MOD Single : A 109 ASN : amide:sc= -4.21! C(o=-4.2!,f=-4.1!) USER MOD Single : A 113 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.51) USER MOD Single : A 116 THR OG1 : rot 97:sc= 1.16 USER MOD Single : A 117 SER OG : rot 150:sc= -0.0926 USER MOD Single : A 119 THR OG1 : rot -83:sc= 0.851 USER MOD Single : A 120 ASN : amide:sc= -2.02! C(o=-2!,f=-3.7!) USER MOD Single : A 126 SER OG : rot 180:sc=-0.00717 USER MOD Single : A 133 HIS : no HE2:sc= 0.502 K(o=0.5,f=-3.8!) USER MOD Single : A 134 THR OG1 : rot 150:sc= 1.45 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0.0387 USER MOD Single : B 375 SER OG : rot 180:sc= 0 USER MOD Single : B 376 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 379 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 388 MET CE :methyl -124:sc= -2.66 (180deg=-5.08!) USER MOD Single : B 390 SER OG : rot -72:sc= 0.174 USER MOD Single : B 391 SER OG : rot -78:sc= 0.918 USER MOD Single : B 393 MET CE :methyl 171:sc= -0.816 (180deg=-1.26) USER MOD Single : B 400 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.00494) USER MOD Single : B 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 403 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.92) USER MOD Single : B 408 SER OG : rot 180:sc= 0 USER MOD Single : B 409 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 411 SER OG : rot 180:sc= 0 USER MOD Single : B 413 THR OG1 : rot 180:sc= 0 USER MOD Single : B 414 ASN :FLIP amide:sc= -7.66! C(o=-12!,f=-7.7!) USER MOD Single : B 415 SER OG : rot -137:sc= 0.71 USER MOD Single : B 418 ASN :FLIP amide:sc= -0.165 F(o=-1.5!,f=-0.17) USER MOD Single : B 419 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.4!) USER MOD Single : B 429 THR OG1 : rot 130:sc= -0.445 USER MOD Single : B 430 HIS : no HD1:sc= 0.2 K(o=0.2,f=-9.4!) USER MOD Single : B 434 THR OG1 : rot 170:sc= -0.772 USER MOD Single : B 438 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 440 GLN : amide:sc= -3.2! C(o=-3.2!,f=-6.8!) USER MOD Single : B 443 GLN : amide:sc= -0.0062 K(o=-0.0062,f=-1.7!) USER MOD Single : B 445 GLN : amide:sc= -0.0803 K(o=-0.08,f=-3.4!) USER MOD Single : B 446 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-13!) USER MOD Single : B 448 SER OG : rot 180:sc= 0 USER MOD Single : B 450 THR OG1 : rot 111:sc= -0.888 USER MOD Single : B 451 ASN : amide:sc= -0.488 K(o=-0.49,f=-3.2!) USER MOD Single : B 455 SER OG : rot 180:sc= 0 USER MOD Single : B 458 TYR OH : rot 180:sc= -0.62 USER MOD Single : B 459 THR OG1 : rot 76:sc= 1.06 USER MOD Single : B 460 SER OG : rot 78:sc= 0.785 USER MOD Single : B 462 THR OG1 : rot 79:sc= 1.16 USER MOD Single : B 469 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2.6!) USER MOD Single : B 471 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 4 89.493 7.411 -2.088 1.00 0.14 N ATOM 2 CA LEU A 4 89.949 6.019 -2.341 1.00 0.13 C ATOM 3 C LEU A 4 90.090 5.233 -1.046 1.00 0.12 C ATOM 4 O LEU A 4 90.021 3.998 -1.085 1.00 0.11 O ATOM 5 CB LEU A 4 91.302 6.055 -3.054 1.00 0.13 C ATOM 6 CG LEU A 4 91.776 4.627 -3.323 1.00 0.12 C ATOM 7 CD1 LEU A 4 90.628 3.810 -3.917 1.00 0.13 C ATOM 8 CD2 LEU A 4 92.944 4.656 -4.311 1.00 0.12 C ATOM 0 HA LEU A 4 89.201 5.524 -2.961 1.00 0.13 H new ATOM 0 HB2 LEU A 4 91.216 6.603 -3.992 1.00 0.13 H new ATOM 0 HB3 LEU A 4 92.033 6.583 -2.442 1.00 0.13 H new ATOM 0 HG LEU A 4 92.100 4.170 -2.388 1.00 0.12 H new ATOM 0 HD11 LEU A 4 90.967 2.792 -4.108 1.00 0.13 H new ATOM 0 HD12 LEU A 4 89.795 3.789 -3.215 1.00 0.13 H new ATOM 0 HD13 LEU A 4 90.303 4.266 -4.852 1.00 0.13 H new ATOM 0 HD21 LEU A 4 93.283 3.638 -4.504 1.00 0.12 H new ATOM 0 HD22 LEU A 4 92.619 5.113 -5.246 1.00 0.12 H new ATOM 0 HD23 LEU A 4 93.764 5.237 -3.889 1.00 0.12 H new ATOM 19 N PHE A 5 90.274 5.907 0.098 1.00 0.12 N ATOM 20 CA PHE A 5 90.358 5.117 1.331 1.00 0.11 C ATOM 21 C PHE A 5 89.561 5.737 2.474 1.00 0.11 C ATOM 22 O PHE A 5 89.473 6.942 2.637 1.00 0.12 O ATOM 23 CB PHE A 5 91.824 5.003 1.752 1.00 0.09 C ATOM 24 CG PHE A 5 92.425 6.386 1.856 1.00 0.10 C ATOM 25 CD1 PHE A 5 92.321 7.105 3.052 1.00 0.10 C ATOM 26 CD2 PHE A 5 93.086 6.948 0.759 1.00 0.10 C ATOM 27 CE1 PHE A 5 92.879 8.386 3.151 1.00 0.10 C ATOM 28 CE2 PHE A 5 93.645 8.228 0.857 1.00 0.11 C ATOM 29 CZ PHE A 5 93.540 8.947 2.054 1.00 0.10 C ATOM 0 H PHE A 5 90.362 6.918 0.196 1.00 0.12 H new ATOM 0 HA PHE A 5 89.931 4.136 1.124 1.00 0.11 H new ATOM 0 HB2 PHE A 5 91.900 4.488 2.710 1.00 0.09 H new ATOM 0 HB3 PHE A 5 92.377 4.408 1.026 1.00 0.09 H new ATOM 0 HD1 PHE A 5 91.810 6.672 3.899 1.00 0.10 H new ATOM 0 HD2 PHE A 5 93.165 6.394 -0.165 1.00 0.10 H new ATOM 0 HE1 PHE A 5 92.799 8.940 4.074 1.00 0.10 H new ATOM 0 HE2 PHE A 5 94.157 8.660 0.010 1.00 0.11 H new ATOM 0 HZ PHE A 5 93.970 9.935 2.130 1.00 0.10 H new ATOM 39 N LYS A 6 88.981 4.841 3.282 1.00 0.11 N ATOM 40 CA LYS A 6 88.228 5.280 4.456 1.00 0.11 C ATOM 41 C LYS A 6 89.224 5.511 5.584 1.00 0.11 C ATOM 42 O LYS A 6 90.261 4.846 5.691 1.00 0.10 O ATOM 43 CB LYS A 6 87.224 4.198 4.861 1.00 0.12 C ATOM 44 CG LYS A 6 86.126 4.096 3.801 1.00 0.13 C ATOM 45 CD LYS A 6 84.772 3.903 4.486 1.00 0.13 C ATOM 46 CE LYS A 6 83.695 4.665 3.714 1.00 0.15 C ATOM 47 NZ LYS A 6 83.444 3.986 2.410 1.00 0.15 N ATOM 0 H LYS A 6 89.018 3.831 3.147 1.00 0.11 H new ATOM 0 HA LYS A 6 87.678 6.196 4.239 1.00 0.11 H new ATOM 0 HB2 LYS A 6 87.731 3.239 4.968 1.00 0.12 H new ATOM 0 HB3 LYS A 6 86.787 4.437 5.830 1.00 0.12 H new ATOM 0 HG2 LYS A 6 86.111 4.998 3.190 1.00 0.13 H new ATOM 0 HG3 LYS A 6 86.329 3.260 3.131 1.00 0.13 H new ATOM 0 HD2 LYS A 6 84.522 2.843 4.529 1.00 0.13 H new ATOM 0 HD3 LYS A 6 84.819 4.261 5.514 1.00 0.13 H new ATOM 0 HE2 LYS A 6 82.775 4.707 4.297 1.00 0.15 H new ATOM 0 HE3 LYS A 6 84.013 5.694 3.545 1.00 0.15 H new ATOM 0 HZ1 LYS A 6 82.654 4.453 1.922 1.00 0.15 H new ATOM 0 HZ2 LYS A 6 84.298 4.043 1.819 1.00 0.15 H new ATOM 0 HZ3 LYS A 6 83.205 2.988 2.579 1.00 0.15 H new ATOM 61 N LEU A 7 88.941 6.537 6.369 1.00 0.11 N ATOM 62 CA LEU A 7 89.815 6.861 7.501 1.00 0.11 C ATOM 63 C LEU A 7 88.876 7.207 8.653 1.00 0.12 C ATOM 64 O LEU A 7 87.948 7.991 8.458 1.00 0.13 O ATOM 65 CB LEU A 7 90.697 8.065 7.161 1.00 0.11 C ATOM 66 CG LEU A 7 91.914 8.086 8.085 1.00 0.10 C ATOM 67 CD1 LEU A 7 92.681 6.769 7.950 1.00 0.08 C ATOM 68 CD2 LEU A 7 92.829 9.249 7.698 1.00 0.09 C ATOM 0 H LEU A 7 88.135 7.151 6.255 1.00 0.11 H new ATOM 0 HA LEU A 7 90.479 6.033 7.751 1.00 0.11 H new ATOM 0 HB2 LEU A 7 91.018 8.011 6.121 1.00 0.11 H new ATOM 0 HB3 LEU A 7 90.128 8.988 7.271 1.00 0.11 H new ATOM 0 HG LEU A 7 91.584 8.210 9.116 1.00 0.10 H new ATOM 0 HD11 LEU A 7 93.549 6.784 8.609 1.00 0.08 H new ATOM 0 HD12 LEU A 7 92.030 5.939 8.226 1.00 0.08 H new ATOM 0 HD13 LEU A 7 93.011 6.644 6.919 1.00 0.08 H new ATOM 0 HD21 LEU A 7 93.697 9.264 8.357 1.00 0.09 H new ATOM 0 HD22 LEU A 7 93.159 9.125 6.667 1.00 0.09 H new ATOM 0 HD23 LEU A 7 92.284 10.188 7.794 1.00 0.09 H new ATOM 80 N GLY A 8 89.076 6.542 9.777 1.00 0.11 N ATOM 81 CA GLY A 8 88.230 6.784 10.949 1.00 0.12 C ATOM 82 C GLY A 8 89.053 6.409 12.179 1.00 0.12 C ATOM 83 O GLY A 8 90.236 6.107 12.048 1.00 0.11 O ATOM 0 H GLY A 8 89.803 5.839 9.910 1.00 0.11 H new ATOM 0 HA2 GLY A 8 87.923 7.829 10.994 1.00 0.12 H new ATOM 0 HA3 GLY A 8 87.320 6.187 10.897 1.00 0.12 H new ATOM 87 N ALA A 9 88.406 6.351 13.327 1.00 0.13 N ATOM 88 CA ALA A 9 89.036 5.972 14.578 1.00 0.13 C ATOM 89 C ALA A 9 89.605 4.566 14.541 1.00 0.13 C ATOM 90 O ALA A 9 90.681 4.329 15.086 1.00 0.12 O ATOM 91 CB ALA A 9 88.005 6.063 15.702 1.00 0.14 C ATOM 0 H ALA A 9 87.414 6.569 13.419 1.00 0.13 H new ATOM 0 HA ALA A 9 89.866 6.657 14.749 1.00 0.13 H new ATOM 0 HB1 ALA A 9 88.470 5.780 16.646 1.00 0.14 H new ATOM 0 HB2 ALA A 9 87.633 7.085 15.773 1.00 0.14 H new ATOM 0 HB3 ALA A 9 87.175 5.389 15.490 1.00 0.14 H new ATOM 97 N GLU A 10 88.962 3.634 13.862 1.00 0.13 N ATOM 98 CA GLU A 10 89.425 2.259 13.752 1.00 0.12 C ATOM 99 C GLU A 10 90.748 2.098 13.009 1.00 0.11 C ATOM 100 O GLU A 10 91.335 1.013 13.147 1.00 0.10 O ATOM 101 CB GLU A 10 88.356 1.440 13.031 1.00 0.12 C ATOM 102 CG GLU A 10 88.361 1.789 11.541 1.00 0.12 C ATOM 103 CD GLU A 10 87.376 0.883 10.800 1.00 0.12 C ATOM 104 OE1 GLU A 10 87.114 -0.203 11.292 1.00 0.12 O ATOM 105 OE2 GLU A 10 86.901 1.290 9.753 1.00 0.12 O ATOM 0 H GLU A 10 88.090 3.812 13.363 1.00 0.13 H new ATOM 0 HA GLU A 10 89.599 1.910 14.770 1.00 0.12 H new ATOM 0 HB2 GLU A 10 88.546 0.375 13.166 1.00 0.12 H new ATOM 0 HB3 GLU A 10 87.375 1.645 13.460 1.00 0.12 H new ATOM 0 HG2 GLU A 10 88.086 2.834 11.401 1.00 0.12 H new ATOM 0 HG3 GLU A 10 89.364 1.666 11.131 1.00 0.12 H new ATOM 112 N ASN A 11 91.223 3.101 12.269 1.00 0.10 N ATOM 113 CA ASN A 11 92.528 2.887 11.615 1.00 0.09 C ATOM 114 C ASN A 11 93.536 3.979 11.926 1.00 0.08 C ATOM 115 O ASN A 11 94.537 4.137 11.219 1.00 0.07 O ATOM 116 CB ASN A 11 92.319 2.821 10.102 1.00 0.08 C ATOM 117 CG ASN A 11 91.282 3.864 9.683 1.00 0.09 C ATOM 118 OD1 ASN A 11 90.533 4.359 10.504 1.00 0.10 O ATOM 119 ND2 ASN A 11 91.204 4.224 8.432 1.00 0.09 N ATOM 0 H ASN A 11 90.773 4.002 12.110 1.00 0.10 H new ATOM 0 HA ASN A 11 92.934 1.953 12.003 1.00 0.09 H new ATOM 0 HB2 ASN A 11 93.262 3.003 9.586 1.00 0.08 H new ATOM 0 HB3 ASN A 11 91.985 1.824 9.814 1.00 0.08 H new ATOM 0 HD21 ASN A 11 90.516 4.919 8.143 1.00 0.09 H new ATOM 0 HD22 ASN A 11 91.831 3.810 7.742 1.00 0.09 H new ATOM 126 N ILE A 12 93.381 4.653 13.071 1.00 0.09 N ATOM 127 CA ILE A 12 94.320 5.652 13.566 1.00 0.09 C ATOM 128 C ILE A 12 94.896 5.168 14.896 1.00 0.09 C ATOM 129 O ILE A 12 94.156 4.746 15.787 1.00 0.10 O ATOM 130 CB ILE A 12 93.592 6.981 13.774 1.00 0.10 C ATOM 131 CG1 ILE A 12 93.253 7.595 12.413 1.00 0.09 C ATOM 132 CG2 ILE A 12 94.494 7.940 14.553 1.00 0.10 C ATOM 133 CD1 ILE A 12 92.125 8.615 12.580 1.00 0.11 C ATOM 0 H ILE A 12 92.581 4.513 13.688 1.00 0.09 H new ATOM 0 HA ILE A 12 95.124 5.796 12.844 1.00 0.09 H new ATOM 0 HB ILE A 12 92.674 6.808 14.335 1.00 0.10 H new ATOM 0 HG12 ILE A 12 94.134 8.077 11.990 1.00 0.09 H new ATOM 0 HG13 ILE A 12 92.951 6.814 11.715 1.00 0.09 H new ATOM 0 HG21 ILE A 12 93.976 8.887 14.701 1.00 0.10 H new ATOM 0 HG22 ILE A 12 94.738 7.504 15.522 1.00 0.10 H new ATOM 0 HG23 ILE A 12 95.412 8.113 13.992 1.00 0.10 H new ATOM 0 HD11 ILE A 12 91.883 9.052 11.611 1.00 0.11 H new ATOM 0 HD12 ILE A 12 91.243 8.119 12.984 1.00 0.11 H new ATOM 0 HD13 ILE A 12 92.444 9.402 13.264 1.00 0.11 H new ATOM 145 N PHE A 13 96.218 5.074 14.985 1.00 0.09 N ATOM 146 CA PHE A 13 96.901 4.547 16.163 1.00 0.09 C ATOM 147 C PHE A 13 97.948 5.533 16.651 1.00 0.09 C ATOM 148 O PHE A 13 99.019 5.656 16.056 1.00 0.08 O ATOM 149 CB PHE A 13 97.579 3.223 15.805 1.00 0.09 C ATOM 150 CG PHE A 13 96.552 2.267 15.244 1.00 0.09 C ATOM 151 CD1 PHE A 13 95.724 1.543 16.109 1.00 0.10 C ATOM 152 CD2 PHE A 13 96.430 2.106 13.859 1.00 0.08 C ATOM 153 CE1 PHE A 13 94.772 0.656 15.589 1.00 0.10 C ATOM 154 CE2 PHE A 13 95.480 1.220 13.339 1.00 0.08 C ATOM 155 CZ PHE A 13 94.649 0.496 14.203 1.00 0.09 C ATOM 0 H PHE A 13 96.850 5.363 14.238 1.00 0.09 H new ATOM 0 HA PHE A 13 96.169 4.388 16.955 1.00 0.09 H new ATOM 0 HB2 PHE A 13 98.370 3.393 15.075 1.00 0.09 H new ATOM 0 HB3 PHE A 13 98.048 2.792 16.689 1.00 0.09 H new ATOM 0 HD1 PHE A 13 95.819 1.668 17.178 1.00 0.10 H new ATOM 0 HD2 PHE A 13 97.069 2.665 13.192 1.00 0.08 H new ATOM 0 HE1 PHE A 13 94.134 0.096 16.256 1.00 0.10 H new ATOM 0 HE2 PHE A 13 95.388 1.094 12.270 1.00 0.08 H new ATOM 0 HZ PHE A 13 93.914 -0.185 13.801 1.00 0.09 H new ATOM 165 N LEU A 14 97.652 6.226 17.745 1.00 0.10 N ATOM 166 CA LEU A 14 98.559 7.231 18.269 1.00 0.10 C ATOM 167 C LEU A 14 99.444 6.754 19.413 1.00 0.10 C ATOM 168 O LEU A 14 99.152 5.792 20.104 1.00 0.11 O ATOM 169 CB LEU A 14 97.738 8.424 18.753 1.00 0.11 C ATOM 170 CG LEU A 14 96.827 8.909 17.623 1.00 0.10 C ATOM 171 CD1 LEU A 14 96.128 10.202 18.048 1.00 0.11 C ATOM 172 CD2 LEU A 14 97.667 9.174 16.370 1.00 0.09 C ATOM 0 H LEU A 14 96.793 6.108 18.282 1.00 0.10 H new ATOM 0 HA LEU A 14 99.231 7.490 17.451 1.00 0.10 H new ATOM 0 HB2 LEU A 14 97.141 8.140 19.620 1.00 0.11 H new ATOM 0 HB3 LEU A 14 98.400 9.229 19.072 1.00 0.11 H new ATOM 0 HG LEU A 14 96.079 8.146 17.407 1.00 0.10 H new ATOM 0 HD11 LEU A 14 95.479 10.547 17.243 1.00 0.11 H new ATOM 0 HD12 LEU A 14 95.531 10.016 18.941 1.00 0.11 H new ATOM 0 HD13 LEU A 14 96.875 10.966 18.264 1.00 0.11 H new ATOM 0 HD21 LEU A 14 97.019 9.520 15.564 1.00 0.09 H new ATOM 0 HD22 LEU A 14 98.414 9.937 16.588 1.00 0.09 H new ATOM 0 HD23 LEU A 14 98.166 8.254 16.065 1.00 0.09 H new ATOM 184 N GLY A 15 100.537 7.478 19.612 1.00 0.10 N ATOM 185 CA GLY A 15 101.470 7.254 20.693 1.00 0.11 C ATOM 186 C GLY A 15 102.085 5.879 20.767 1.00 0.11 C ATOM 187 O GLY A 15 102.316 5.368 21.876 1.00 0.12 O ATOM 0 H GLY A 15 100.800 8.256 19.007 1.00 0.10 H new ATOM 0 HA2 GLY A 15 102.274 7.985 20.609 1.00 0.11 H new ATOM 0 HA3 GLY A 15 100.957 7.451 21.635 1.00 0.11 H new ATOM 191 N ARG A 16 102.404 5.280 19.615 1.00 0.10 N ATOM 192 CA ARG A 16 103.057 3.982 19.619 1.00 0.10 C ATOM 193 C ARG A 16 104.552 4.156 19.838 1.00 0.10 C ATOM 194 O ARG A 16 105.100 5.253 19.759 1.00 0.10 O ATOM 195 CB ARG A 16 102.816 3.287 18.278 1.00 0.10 C ATOM 196 CG ARG A 16 101.314 3.245 17.988 1.00 0.09 C ATOM 197 CD ARG A 16 100.765 1.858 18.327 1.00 0.10 C ATOM 198 NE ARG A 16 100.767 1.672 19.806 1.00 0.12 N ATOM 199 CZ ARG A 16 100.078 0.701 20.341 1.00 0.13 C ATOM 200 NH1 ARG A 16 99.388 -0.104 19.582 1.00 0.12 N ATOM 201 NH2 ARG A 16 100.078 0.539 21.636 1.00 0.14 N ATOM 0 H ARG A 16 102.222 5.669 18.690 1.00 0.10 H new ATOM 0 HA ARG A 16 102.645 3.375 20.425 1.00 0.10 H new ATOM 0 HB2 ARG A 16 103.336 3.819 17.482 1.00 0.10 H new ATOM 0 HB3 ARG A 16 103.221 2.275 18.303 1.00 0.10 H new ATOM 0 HG2 ARG A 16 100.799 4.005 18.575 1.00 0.09 H new ATOM 0 HG3 ARG A 16 101.129 3.474 16.938 1.00 0.09 H new ATOM 0 HD2 ARG A 16 99.753 1.750 17.937 1.00 0.10 H new ATOM 0 HD3 ARG A 16 101.373 1.088 17.852 1.00 0.10 H new ATOM 0 HE ARG A 16 101.306 2.303 20.399 1.00 0.12 H new ATOM 0 HH11 ARG A 16 99.387 0.025 18.570 1.00 0.12 H new ATOM 0 HH12 ARG A 16 98.850 -0.863 20.000 1.00 0.12 H new ATOM 0 HH21 ARG A 16 100.616 1.171 22.229 1.00 0.14 H new ATOM 0 HH22 ARG A 16 99.540 -0.219 22.055 1.00 0.14 H new ATOM 215 N LYS A 17 105.212 3.025 20.067 1.00 0.11 N ATOM 216 CA LYS A 17 106.639 2.939 20.280 1.00 0.12 C ATOM 217 C LYS A 17 107.162 1.683 19.570 1.00 0.12 C ATOM 218 O LYS A 17 106.465 0.664 19.555 1.00 0.12 O ATOM 219 CB LYS A 17 106.932 2.842 21.778 1.00 0.13 C ATOM 220 CG LYS A 17 106.752 4.218 22.424 1.00 0.13 C ATOM 221 CD LYS A 17 107.189 4.156 23.888 1.00 0.14 C ATOM 222 CE LYS A 17 108.697 3.912 23.961 1.00 0.14 C ATOM 223 NZ LYS A 17 109.143 3.983 25.382 1.00 0.16 N ATOM 0 H LYS A 17 104.747 2.118 20.109 1.00 0.11 H new ATOM 0 HA LYS A 17 107.130 3.827 19.881 1.00 0.12 H new ATOM 0 HB2 LYS A 17 106.262 2.119 22.244 1.00 0.13 H new ATOM 0 HB3 LYS A 17 107.949 2.484 21.938 1.00 0.13 H new ATOM 0 HG2 LYS A 17 107.341 4.963 21.889 1.00 0.13 H new ATOM 0 HG3 LYS A 17 105.709 4.529 22.358 1.00 0.13 H new ATOM 0 HD2 LYS A 17 106.936 5.088 24.394 1.00 0.14 H new ATOM 0 HD3 LYS A 17 106.655 3.358 24.404 1.00 0.14 H new ATOM 0 HE2 LYS A 17 108.939 2.936 23.541 1.00 0.14 H new ATOM 0 HE3 LYS A 17 109.226 4.656 23.365 1.00 0.14 H new ATOM 0 HZ1 LYS A 17 110.168 3.817 25.433 1.00 0.16 H new ATOM 0 HZ2 LYS A 17 108.925 4.924 25.768 1.00 0.16 H new ATOM 0 HZ3 LYS A 17 108.647 3.257 25.938 1.00 0.16 H new ATOM 237 N ALA A 18 108.322 1.790 18.954 1.00 0.11 N ATOM 238 CA ALA A 18 108.914 0.632 18.286 1.00 0.12 C ATOM 239 C ALA A 18 110.416 0.834 18.209 1.00 0.12 C ATOM 240 O ALA A 18 110.900 1.897 17.816 1.00 0.11 O ATOM 241 CB ALA A 18 108.338 0.501 16.874 1.00 0.11 C ATOM 0 H ALA A 18 108.871 2.648 18.898 1.00 0.11 H new ATOM 0 HA ALA A 18 108.688 -0.276 18.845 1.00 0.12 H new ATOM 0 HB1 ALA A 18 108.781 -0.363 16.379 1.00 0.11 H new ATOM 0 HB2 ALA A 18 107.257 0.371 16.932 1.00 0.11 H new ATOM 0 HB3 ALA A 18 108.565 1.402 16.304 1.00 0.11 H new ATOM 247 N ALA A 19 111.166 -0.209 18.566 1.00 0.13 N ATOM 248 CA ALA A 19 112.630 -0.081 18.521 1.00 0.14 C ATOM 249 C ALA A 19 113.145 -0.200 17.103 1.00 0.13 C ATOM 250 O ALA A 19 114.216 0.301 16.748 1.00 0.13 O ATOM 251 CB ALA A 19 113.259 -1.179 19.380 1.00 0.15 C ATOM 0 H ALA A 19 110.810 -1.113 18.876 1.00 0.13 H new ATOM 0 HA ALA A 19 112.902 0.902 18.905 1.00 0.14 H new ATOM 0 HB1 ALA A 19 114.345 -1.088 19.349 1.00 0.15 H new ATOM 0 HB2 ALA A 19 112.915 -1.077 20.409 1.00 0.15 H new ATOM 0 HB3 ALA A 19 112.966 -2.155 18.994 1.00 0.15 H new ATOM 257 N THR A 20 112.388 -0.913 16.244 1.00 0.13 N ATOM 258 CA THR A 20 112.805 -1.118 14.866 1.00 0.13 C ATOM 259 C THR A 20 111.684 -0.844 13.861 1.00 0.11 C ATOM 260 O THR A 20 110.500 -0.975 14.164 1.00 0.11 O ATOM 261 CB THR A 20 113.277 -2.565 14.700 1.00 0.14 C ATOM 262 OG1 THR A 20 112.186 -3.445 14.935 1.00 0.14 O ATOM 263 CG2 THR A 20 114.395 -2.856 15.701 1.00 0.15 C ATOM 0 H THR A 20 111.498 -1.347 16.488 1.00 0.13 H new ATOM 0 HA THR A 20 113.609 -0.411 14.660 1.00 0.13 H new ATOM 0 HB THR A 20 113.653 -2.713 13.688 1.00 0.14 H new ATOM 0 HG1 THR A 20 111.897 -3.366 15.868 1.00 0.14 H new ATOM 0 HG21 THR A 20 114.731 -3.886 15.582 1.00 0.15 H new ATOM 0 HG22 THR A 20 115.230 -2.179 15.521 1.00 0.15 H new ATOM 0 HG23 THR A 20 114.023 -2.710 16.715 1.00 0.15 H new ATOM 271 N LYS A 21 112.099 -0.578 12.620 1.00 0.11 N ATOM 272 CA LYS A 21 111.096 -0.421 11.554 1.00 0.10 C ATOM 273 C LYS A 21 110.385 -1.744 11.315 1.00 0.10 C ATOM 274 O LYS A 21 109.191 -1.709 10.994 1.00 0.09 O ATOM 275 CB LYS A 21 111.790 0.024 10.266 1.00 0.10 C ATOM 276 CG LYS A 21 112.773 -1.058 9.815 1.00 0.11 C ATOM 277 CD LYS A 21 113.593 -0.542 8.630 1.00 0.11 C ATOM 278 CE LYS A 21 114.181 -1.728 7.862 1.00 0.12 C ATOM 279 NZ LYS A 21 114.521 -1.301 6.475 1.00 0.13 N ATOM 0 H LYS A 21 113.072 -0.470 12.333 1.00 0.11 H new ATOM 0 HA LYS A 21 110.365 0.329 11.855 1.00 0.10 H new ATOM 0 HB2 LYS A 21 111.050 0.206 9.486 1.00 0.10 H new ATOM 0 HB3 LYS A 21 112.317 0.964 10.431 1.00 0.10 H new ATOM 0 HG2 LYS A 21 113.434 -1.329 10.638 1.00 0.11 H new ATOM 0 HG3 LYS A 21 112.232 -1.960 9.531 1.00 0.11 H new ATOM 0 HD2 LYS A 21 112.963 0.056 7.971 1.00 0.11 H new ATOM 0 HD3 LYS A 21 114.393 0.109 8.983 1.00 0.11 H new ATOM 0 HE2 LYS A 21 115.072 -2.098 8.369 1.00 0.12 H new ATOM 0 HE3 LYS A 21 113.465 -2.549 7.836 1.00 0.12 H new ATOM 0 HZ1 LYS A 21 114.921 -2.106 5.952 1.00 0.13 H new ATOM 0 HZ2 LYS A 21 113.661 -0.968 5.994 1.00 0.13 H new ATOM 0 HZ3 LYS A 21 115.219 -0.530 6.510 1.00 0.13 H new ATOM 293 N GLU A 22 111.057 -2.884 11.480 1.00 0.11 N ATOM 294 CA GLU A 22 110.385 -4.168 11.268 1.00 0.12 C ATOM 295 C GLU A 22 109.224 -4.342 12.229 1.00 0.11 C ATOM 296 O GLU A 22 108.151 -4.801 11.806 1.00 0.11 O ATOM 297 CB GLU A 22 111.389 -5.302 11.478 1.00 0.13 C ATOM 298 CG GLU A 22 112.352 -5.362 10.290 1.00 0.13 C ATOM 299 CD GLU A 22 113.540 -4.434 10.550 1.00 0.14 C ATOM 300 OE1 GLU A 22 113.637 -3.922 11.652 1.00 0.14 O ATOM 301 OE2 GLU A 22 114.334 -4.250 9.640 1.00 0.14 O ATOM 0 H GLU A 22 112.038 -2.947 11.752 1.00 0.11 H new ATOM 0 HA GLU A 22 109.996 -4.191 10.250 1.00 0.12 H new ATOM 0 HB2 GLU A 22 111.945 -5.143 12.402 1.00 0.13 H new ATOM 0 HB3 GLU A 22 110.864 -6.252 11.582 1.00 0.13 H new ATOM 0 HG2 GLU A 22 112.701 -6.384 10.142 1.00 0.13 H new ATOM 0 HG3 GLU A 22 111.838 -5.065 9.376 1.00 0.13 H new ATOM 308 N GLU A 23 109.365 -3.971 13.504 1.00 0.12 N ATOM 309 CA GLU A 23 108.252 -4.032 14.436 1.00 0.12 C ATOM 310 C GLU A 23 107.107 -3.102 14.023 1.00 0.11 C ATOM 311 O GLU A 23 105.955 -3.501 14.148 1.00 0.10 O ATOM 312 CB GLU A 23 108.741 -3.631 15.828 1.00 0.13 C ATOM 313 CG GLU A 23 109.760 -4.660 16.326 1.00 0.14 C ATOM 314 CD GLU A 23 110.442 -4.133 17.590 1.00 0.15 C ATOM 315 OE1 GLU A 23 110.999 -3.047 17.529 1.00 0.14 O ATOM 316 OE2 GLU A 23 110.397 -4.821 18.593 1.00 0.16 O ATOM 0 H GLU A 23 110.237 -3.628 13.907 1.00 0.12 H new ATOM 0 HA GLU A 23 107.873 -5.054 14.437 1.00 0.12 H new ATOM 0 HB2 GLU A 23 109.195 -2.640 15.795 1.00 0.13 H new ATOM 0 HB3 GLU A 23 107.899 -3.573 16.518 1.00 0.13 H new ATOM 0 HG2 GLU A 23 109.263 -5.607 16.536 1.00 0.14 H new ATOM 0 HG3 GLU A 23 110.504 -4.855 15.553 1.00 0.14 H new ATOM 323 N ALA A 24 107.419 -1.887 13.581 1.00 0.10 N ATOM 324 CA ALA A 24 106.375 -0.954 13.152 1.00 0.08 C ATOM 325 C ALA A 24 105.630 -1.496 11.934 1.00 0.08 C ATOM 326 O ALA A 24 104.413 -1.397 11.822 1.00 0.07 O ATOM 327 CB ALA A 24 107.015 0.389 12.796 1.00 0.08 C ATOM 0 H ALA A 24 108.371 -1.527 13.510 1.00 0.10 H new ATOM 0 HA ALA A 24 105.663 -0.828 13.968 1.00 0.08 H new ATOM 0 HB1 ALA A 24 106.242 1.087 12.476 1.00 0.08 H new ATOM 0 HB2 ALA A 24 107.527 0.791 13.670 1.00 0.08 H new ATOM 0 HB3 ALA A 24 107.733 0.247 11.988 1.00 0.08 H new ATOM 333 N ILE A 25 106.389 -2.052 10.972 1.00 0.08 N ATOM 334 CA ILE A 25 105.780 -2.610 9.766 1.00 0.08 C ATOM 335 C ILE A 25 104.878 -3.783 10.094 1.00 0.08 C ATOM 336 O ILE A 25 103.775 -3.943 9.561 1.00 0.08 O ATOM 337 CB ILE A 25 106.884 -3.077 8.815 1.00 0.08 C ATOM 338 CG1 ILE A 25 107.644 -1.860 8.282 1.00 0.08 C ATOM 339 CG2 ILE A 25 106.264 -3.841 7.648 1.00 0.08 C ATOM 340 CD1 ILE A 25 108.838 -2.328 7.448 1.00 0.09 C ATOM 0 H ILE A 25 107.406 -2.123 11.010 1.00 0.08 H new ATOM 0 HA ILE A 25 105.175 -1.833 9.298 1.00 0.08 H new ATOM 0 HB ILE A 25 107.572 -3.731 9.351 1.00 0.08 H new ATOM 0 HG12 ILE A 25 106.982 -1.242 7.674 1.00 0.08 H new ATOM 0 HG13 ILE A 25 107.986 -1.240 9.111 1.00 0.08 H new ATOM 0 HG21 ILE A 25 107.051 -4.173 6.971 1.00 0.08 H new ATOM 0 HG22 ILE A 25 105.722 -4.707 8.027 1.00 0.08 H new ATOM 0 HG23 ILE A 25 105.575 -3.189 7.111 1.00 0.08 H new ATOM 0 HD11 ILE A 25 109.379 -1.461 7.069 1.00 0.09 H new ATOM 0 HD12 ILE A 25 109.503 -2.927 8.069 1.00 0.09 H new ATOM 0 HD13 ILE A 25 108.484 -2.929 6.611 1.00 0.09 H new ATOM 352 N ARG A 26 105.331 -4.654 10.995 1.00 0.09 N ATOM 353 CA ARG A 26 104.541 -5.803 11.423 1.00 0.10 C ATOM 354 C ARG A 26 103.245 -5.350 12.096 1.00 0.10 C ATOM 355 O ARG A 26 102.218 -5.994 11.857 1.00 0.10 O ATOM 356 CB ARG A 26 105.357 -6.639 12.409 1.00 0.11 C ATOM 357 CG ARG A 26 104.665 -7.985 12.632 1.00 0.12 C ATOM 358 CD ARG A 26 105.721 -9.072 12.850 1.00 0.13 C ATOM 359 NE ARG A 26 106.894 -8.806 11.972 1.00 0.13 N ATOM 360 CZ ARG A 26 108.027 -9.418 12.195 1.00 0.14 C ATOM 361 NH1 ARG A 26 108.131 -10.260 13.184 1.00 0.15 N ATOM 362 NH2 ARG A 26 109.056 -9.185 11.425 1.00 0.14 N ATOM 0 H ARG A 26 106.245 -4.583 11.443 1.00 0.09 H new ATOM 0 HA ARG A 26 104.289 -6.398 10.546 1.00 0.10 H new ATOM 0 HB2 ARG A 26 106.364 -6.796 12.023 1.00 0.11 H new ATOM 0 HB3 ARG A 26 105.457 -6.108 13.356 1.00 0.11 H new ATOM 0 HG2 ARG A 26 104.004 -7.927 13.496 1.00 0.12 H new ATOM 0 HG3 ARG A 26 104.044 -8.234 11.771 1.00 0.12 H new ATOM 0 HD2 ARG A 26 106.031 -9.089 13.895 1.00 0.13 H new ATOM 0 HD3 ARG A 26 105.301 -10.053 12.627 1.00 0.13 H new ATOM 0 HE ARG A 26 106.813 -8.147 11.198 1.00 0.13 H new ATOM 0 HH11 ARG A 26 107.327 -10.442 13.785 1.00 0.15 H new ATOM 0 HH12 ARG A 26 109.016 -10.737 13.357 1.00 0.15 H new ATOM 0 HH21 ARG A 26 108.975 -8.526 10.651 1.00 0.14 H new ATOM 0 HH22 ARG A 26 109.941 -9.662 11.598 1.00 0.14 H new ATOM 376 N PHE A 27 103.275 -4.273 12.869 1.00 0.09 N ATOM 377 CA PHE A 27 102.055 -3.784 13.513 1.00 0.09 C ATOM 378 C PHE A 27 101.084 -3.272 12.445 1.00 0.08 C ATOM 379 O PHE A 27 99.918 -3.650 12.434 1.00 0.08 O ATOM 380 CB PHE A 27 102.406 -2.646 14.474 1.00 0.09 C ATOM 381 CG PHE A 27 101.135 -2.050 15.032 1.00 0.09 C ATOM 382 CD1 PHE A 27 100.434 -2.718 16.042 1.00 0.11 C ATOM 383 CD2 PHE A 27 100.661 -0.828 14.541 1.00 0.08 C ATOM 384 CE1 PHE A 27 99.256 -2.166 16.559 1.00 0.11 C ATOM 385 CE2 PHE A 27 99.484 -0.275 15.058 1.00 0.09 C ATOM 386 CZ PHE A 27 98.781 -0.944 16.068 1.00 0.10 C ATOM 0 H PHE A 27 104.113 -3.726 13.066 1.00 0.09 H new ATOM 0 HA PHE A 27 101.587 -4.596 14.069 1.00 0.09 H new ATOM 0 HB2 PHE A 27 103.032 -3.020 15.284 1.00 0.09 H new ATOM 0 HB3 PHE A 27 102.982 -1.881 13.954 1.00 0.09 H new ATOM 0 HD1 PHE A 27 100.802 -3.659 16.423 1.00 0.11 H new ATOM 0 HD2 PHE A 27 101.204 -0.312 13.763 1.00 0.08 H new ATOM 0 HE1 PHE A 27 98.714 -2.683 17.337 1.00 0.11 H new ATOM 0 HE2 PHE A 27 99.118 0.667 14.678 1.00 0.09 H new ATOM 0 HZ PHE A 27 97.873 -0.517 16.468 1.00 0.10 H new ATOM 396 N ALA A 28 101.601 -2.432 11.547 1.00 0.07 N ATOM 397 CA ALA A 28 100.768 -1.916 10.457 1.00 0.06 C ATOM 398 C ALA A 28 100.167 -3.073 9.676 1.00 0.06 C ATOM 399 O ALA A 28 98.960 -3.084 9.431 1.00 0.06 O ATOM 400 CB ALA A 28 101.625 -1.061 9.522 1.00 0.05 C ATOM 0 H ALA A 28 102.566 -2.101 11.549 1.00 0.07 H new ATOM 0 HA ALA A 28 99.965 -1.309 10.875 1.00 0.06 H new ATOM 0 HB1 ALA A 28 101.006 -0.677 8.711 1.00 0.05 H new ATOM 0 HB2 ALA A 28 102.051 -0.227 10.080 1.00 0.05 H new ATOM 0 HB3 ALA A 28 102.429 -1.669 9.108 1.00 0.05 H new ATOM 406 N GLY A 29 100.951 -4.077 9.309 1.00 0.07 N ATOM 407 CA GLY A 29 100.513 -5.265 8.614 1.00 0.07 C ATOM 408 C GLY A 29 99.443 -6.030 9.377 1.00 0.08 C ATOM 409 O GLY A 29 98.426 -6.451 8.825 1.00 0.08 O ATOM 0 H GLY A 29 101.953 -4.079 9.499 1.00 0.07 H new ATOM 0 HA2 GLY A 29 100.125 -4.986 7.634 1.00 0.07 H new ATOM 0 HA3 GLY A 29 101.369 -5.918 8.444 1.00 0.07 H new ATOM 413 N GLU A 30 99.622 -6.192 10.680 1.00 0.09 N ATOM 414 CA GLU A 30 98.632 -6.853 11.524 1.00 0.10 C ATOM 415 C GLU A 30 97.299 -6.103 11.514 1.00 0.09 C ATOM 416 O GLU A 30 96.247 -6.741 11.533 1.00 0.10 O ATOM 417 CB GLU A 30 99.158 -6.919 12.960 1.00 0.11 C ATOM 418 CG GLU A 30 100.211 -8.024 13.066 1.00 0.11 C ATOM 419 CD GLU A 30 100.897 -7.945 14.430 1.00 0.12 C ATOM 420 OE1 GLU A 30 100.634 -6.995 15.149 1.00 0.12 O ATOM 421 OE2 GLU A 30 101.675 -8.835 14.734 1.00 0.13 O ATOM 0 H GLU A 30 100.451 -5.872 11.181 1.00 0.09 H new ATOM 0 HA GLU A 30 98.464 -7.856 11.131 1.00 0.10 H new ATOM 0 HB2 GLU A 30 99.591 -5.960 13.245 1.00 0.11 H new ATOM 0 HB3 GLU A 30 98.338 -7.116 13.651 1.00 0.11 H new ATOM 0 HG2 GLU A 30 99.743 -9.000 12.938 1.00 0.11 H new ATOM 0 HG3 GLU A 30 100.948 -7.917 12.270 1.00 0.11 H new ATOM 428 N GLN A 31 97.323 -4.779 11.510 1.00 0.08 N ATOM 429 CA GLN A 31 96.129 -3.945 11.496 1.00 0.08 C ATOM 430 C GLN A 31 95.436 -3.955 10.143 1.00 0.08 C ATOM 431 O GLN A 31 94.202 -3.965 10.054 1.00 0.08 O ATOM 432 CB GLN A 31 96.520 -2.506 11.843 1.00 0.08 C ATOM 433 CG GLN A 31 96.983 -2.442 13.300 1.00 0.09 C ATOM 434 CD GLN A 31 95.897 -3.025 14.208 1.00 0.10 C ATOM 435 OE1 GLN A 31 94.725 -2.773 14.011 1.00 0.10 O ATOM 436 NE2 GLN A 31 96.242 -3.797 15.203 1.00 0.11 N ATOM 0 H GLN A 31 98.190 -4.242 11.517 1.00 0.08 H new ATOM 0 HA GLN A 31 95.433 -4.350 12.231 1.00 0.08 H new ATOM 0 HB2 GLN A 31 97.316 -2.164 11.182 1.00 0.08 H new ATOM 0 HB3 GLN A 31 95.671 -1.840 11.690 1.00 0.08 H new ATOM 0 HG2 GLN A 31 97.912 -2.999 13.422 1.00 0.09 H new ATOM 0 HG3 GLN A 31 97.191 -1.410 13.581 1.00 0.09 H new ATOM 0 HE21 GLN A 31 97.226 -4.008 15.367 1.00 0.11 H new ATOM 0 HE22 GLN A 31 95.527 -4.189 15.816 1.00 0.11 H new ATOM 445 N LEU A 32 96.204 -4.033 9.063 1.00 0.07 N ATOM 446 CA LEU A 32 95.616 -4.209 7.731 1.00 0.06 C ATOM 447 C LEU A 32 94.907 -5.553 7.665 1.00 0.07 C ATOM 448 O LEU A 32 93.834 -5.694 7.076 1.00 0.07 O ATOM 449 CB LEU A 32 96.720 -4.161 6.673 1.00 0.06 C ATOM 450 CG LEU A 32 97.219 -2.723 6.520 1.00 0.05 C ATOM 451 CD1 LEU A 32 98.493 -2.711 5.675 1.00 0.05 C ATOM 452 CD2 LEU A 32 96.143 -1.882 5.832 1.00 0.05 C ATOM 0 H LEU A 32 97.222 -3.979 9.076 1.00 0.07 H new ATOM 0 HA LEU A 32 94.899 -3.410 7.542 1.00 0.06 H new ATOM 0 HB2 LEU A 32 97.544 -4.814 6.962 1.00 0.06 H new ATOM 0 HB3 LEU A 32 96.341 -4.529 5.720 1.00 0.06 H new ATOM 0 HG LEU A 32 97.433 -2.306 7.504 1.00 0.05 H new ATOM 0 HD11 LEU A 32 98.848 -1.686 5.566 1.00 0.05 H new ATOM 0 HD12 LEU A 32 99.260 -3.311 6.165 1.00 0.05 H new ATOM 0 HD13 LEU A 32 98.281 -3.128 4.690 1.00 0.05 H new ATOM 0 HD21 LEU A 32 96.497 -0.857 5.722 1.00 0.05 H new ATOM 0 HD22 LEU A 32 95.929 -2.299 4.848 1.00 0.05 H new ATOM 0 HD23 LEU A 32 95.235 -1.889 6.435 1.00 0.05 H new ATOM 464 N VAL A 33 95.462 -6.603 8.276 1.00 0.08 N ATOM 465 CA VAL A 33 94.842 -7.916 8.304 1.00 0.09 C ATOM 466 C VAL A 33 93.580 -7.837 9.169 1.00 0.09 C ATOM 467 O VAL A 33 92.521 -8.287 8.735 1.00 0.10 O ATOM 468 CB VAL A 33 95.814 -8.934 8.903 1.00 0.09 C ATOM 469 CG1 VAL A 33 95.045 -10.190 9.319 1.00 0.11 C ATOM 470 CG2 VAL A 33 96.867 -9.306 7.856 1.00 0.09 C ATOM 0 H VAL A 33 96.356 -6.559 8.764 1.00 0.08 H new ATOM 0 HA VAL A 33 94.584 -8.229 7.292 1.00 0.09 H new ATOM 0 HB VAL A 33 96.303 -8.501 9.776 1.00 0.09 H new ATOM 0 HG11 VAL A 33 95.737 -10.916 9.746 1.00 0.11 H new ATOM 0 HG12 VAL A 33 94.292 -9.926 10.062 1.00 0.11 H new ATOM 0 HG13 VAL A 33 94.557 -10.624 8.446 1.00 0.11 H new ATOM 0 HG21 VAL A 33 97.561 -10.031 8.280 1.00 0.09 H new ATOM 0 HG22 VAL A 33 96.376 -9.740 6.985 1.00 0.09 H new ATOM 0 HG23 VAL A 33 97.414 -8.412 7.557 1.00 0.09 H new ATOM 480 N LYS A 34 93.715 -7.230 10.337 1.00 0.10 N ATOM 481 CA LYS A 34 92.609 -7.087 11.264 1.00 0.11 C ATOM 482 C LYS A 34 91.393 -6.389 10.671 1.00 0.10 C ATOM 483 O LYS A 34 90.273 -6.824 10.965 1.00 0.11 O ATOM 484 CB LYS A 34 93.086 -6.295 12.481 1.00 0.11 C ATOM 485 CG LYS A 34 91.946 -6.180 13.496 1.00 0.12 C ATOM 486 CD LYS A 34 92.341 -5.198 14.598 1.00 0.12 C ATOM 487 CE LYS A 34 91.160 -4.993 15.548 1.00 0.13 C ATOM 488 NZ LYS A 34 91.632 -4.318 16.789 1.00 0.14 N ATOM 0 H LYS A 34 94.591 -6.825 10.666 1.00 0.10 H new ATOM 0 HA LYS A 34 92.292 -8.095 11.531 1.00 0.11 H new ATOM 0 HB2 LYS A 34 93.944 -6.790 12.936 1.00 0.11 H new ATOM 0 HB3 LYS A 34 93.416 -5.302 12.175 1.00 0.11 H new ATOM 0 HG2 LYS A 34 91.037 -5.840 13.000 1.00 0.12 H new ATOM 0 HG3 LYS A 34 91.728 -7.157 13.926 1.00 0.12 H new ATOM 0 HD2 LYS A 34 93.201 -5.579 15.148 1.00 0.12 H new ATOM 0 HD3 LYS A 34 92.639 -4.245 14.161 1.00 0.12 H new ATOM 0 HE2 LYS A 34 90.391 -4.391 15.064 1.00 0.13 H new ATOM 0 HE3 LYS A 34 90.706 -5.953 15.794 1.00 0.13 H new ATOM 0 HZ1 LYS A 34 90.829 -4.178 17.435 1.00 0.14 H new ATOM 0 HZ2 LYS A 34 92.351 -4.908 17.253 1.00 0.14 H new ATOM 0 HZ3 LYS A 34 92.046 -3.395 16.546 1.00 0.14 H new ATOM 502 N GLY A 35 91.557 -5.345 9.859 1.00 0.10 N ATOM 503 CA GLY A 35 90.432 -4.643 9.277 1.00 0.10 C ATOM 504 C GLY A 35 89.899 -5.232 7.984 1.00 0.09 C ATOM 505 O GLY A 35 89.112 -4.594 7.278 1.00 0.10 O ATOM 0 H GLY A 35 92.468 -4.971 9.593 1.00 0.10 H new ATOM 0 HA2 GLY A 35 89.623 -4.619 10.007 1.00 0.10 H new ATOM 0 HA3 GLY A 35 90.726 -3.610 9.092 1.00 0.10 H new ATOM 509 N GLY A 36 90.360 -6.401 7.587 1.00 0.09 N ATOM 510 CA GLY A 36 89.956 -7.098 6.384 1.00 0.09 C ATOM 511 C GLY A 36 90.489 -6.492 5.107 1.00 0.08 C ATOM 512 O GLY A 36 89.947 -6.757 4.032 1.00 0.09 O ATOM 0 H GLY A 36 91.061 -6.915 8.121 1.00 0.09 H new ATOM 0 HA2 GLY A 36 90.290 -8.134 6.448 1.00 0.09 H new ATOM 0 HA3 GLY A 36 88.867 -7.117 6.337 1.00 0.09 H new ATOM 516 N TYR A 37 91.570 -5.700 5.207 1.00 0.08 N ATOM 517 CA TYR A 37 92.120 -5.092 4.000 1.00 0.07 C ATOM 518 C TYR A 37 92.958 -6.095 3.227 1.00 0.07 C ATOM 519 O TYR A 37 93.043 -6.040 2.002 1.00 0.07 O ATOM 520 CB TYR A 37 92.993 -3.898 4.388 1.00 0.07 C ATOM 521 CG TYR A 37 92.145 -2.856 5.078 1.00 0.07 C ATOM 522 CD1 TYR A 37 91.226 -2.101 4.339 1.00 0.07 C ATOM 523 CD2 TYR A 37 92.277 -2.646 6.455 1.00 0.07 C ATOM 524 CE1 TYR A 37 90.438 -1.135 4.979 1.00 0.08 C ATOM 525 CE2 TYR A 37 91.489 -1.681 7.095 1.00 0.08 C ATOM 526 CZ TYR A 37 90.570 -0.925 6.356 1.00 0.08 C ATOM 527 OH TYR A 37 89.795 0.026 6.987 1.00 0.09 O ATOM 0 H TYR A 37 92.058 -5.477 6.075 1.00 0.08 H new ATOM 0 HA TYR A 37 91.295 -4.764 3.367 1.00 0.07 H new ATOM 0 HB2 TYR A 37 93.798 -4.222 5.048 1.00 0.07 H new ATOM 0 HB3 TYR A 37 93.460 -3.472 3.500 1.00 0.07 H new ATOM 0 HD1 TYR A 37 91.125 -2.263 3.276 1.00 0.07 H new ATOM 0 HD2 TYR A 37 92.987 -3.228 7.024 1.00 0.07 H new ATOM 0 HE1 TYR A 37 89.729 -0.553 4.409 1.00 0.08 H new ATOM 0 HE2 TYR A 37 91.590 -1.520 8.158 1.00 0.08 H new ATOM 0 HH TYR A 37 90.011 0.043 7.943 1.00 0.09 H new ATOM 537 N VAL A 38 93.686 -6.946 3.936 1.00 0.07 N ATOM 538 CA VAL A 38 94.595 -7.919 3.357 1.00 0.07 C ATOM 539 C VAL A 38 94.538 -9.273 4.059 1.00 0.08 C ATOM 540 O VAL A 38 94.116 -9.392 5.208 1.00 0.08 O ATOM 541 CB VAL A 38 96.022 -7.376 3.440 1.00 0.07 C ATOM 542 CG1 VAL A 38 96.080 -5.991 2.798 1.00 0.06 C ATOM 543 CG2 VAL A 38 96.443 -7.277 4.908 1.00 0.07 C ATOM 0 H VAL A 38 93.659 -6.978 4.955 1.00 0.07 H new ATOM 0 HA VAL A 38 94.289 -8.075 2.323 1.00 0.07 H new ATOM 0 HB VAL A 38 96.698 -8.048 2.911 1.00 0.07 H new ATOM 0 HG11 VAL A 38 97.097 -5.605 2.858 1.00 0.06 H new ATOM 0 HG12 VAL A 38 95.779 -6.062 1.753 1.00 0.06 H new ATOM 0 HG13 VAL A 38 95.405 -5.317 3.325 1.00 0.06 H new ATOM 0 HG21 VAL A 38 97.460 -6.890 4.970 1.00 0.07 H new ATOM 0 HG22 VAL A 38 95.767 -6.605 5.436 1.00 0.07 H new ATOM 0 HG23 VAL A 38 96.403 -8.265 5.366 1.00 0.07 H new ATOM 553 N GLU A 39 95.007 -10.295 3.340 1.00 0.09 N ATOM 554 CA GLU A 39 95.113 -11.645 3.898 1.00 0.09 C ATOM 555 C GLU A 39 96.455 -11.734 4.603 1.00 0.10 C ATOM 556 O GLU A 39 97.327 -10.891 4.357 1.00 0.09 O ATOM 557 CB GLU A 39 95.044 -12.680 2.772 1.00 0.10 C ATOM 558 CG GLU A 39 93.586 -12.887 2.357 1.00 0.10 C ATOM 559 CD GLU A 39 93.527 -13.819 1.145 1.00 0.10 C ATOM 560 OE1 GLU A 39 94.537 -13.945 0.471 1.00 0.10 O ATOM 561 OE2 GLU A 39 92.475 -14.391 0.913 1.00 0.11 O ATOM 0 H GLU A 39 95.319 -10.214 2.372 1.00 0.09 H new ATOM 0 HA GLU A 39 94.297 -11.844 4.593 1.00 0.09 H new ATOM 0 HB2 GLU A 39 95.632 -12.344 1.918 1.00 0.10 H new ATOM 0 HB3 GLU A 39 95.476 -13.624 3.104 1.00 0.10 H new ATOM 0 HG2 GLU A 39 93.018 -13.313 3.184 1.00 0.10 H new ATOM 0 HG3 GLU A 39 93.126 -11.929 2.115 1.00 0.10 H new ATOM 568 N PRO A 40 96.651 -12.714 5.472 1.00 0.11 N ATOM 569 CA PRO A 40 97.860 -12.884 6.253 1.00 0.11 C ATOM 570 C PRO A 40 99.176 -12.837 5.521 1.00 0.11 C ATOM 571 O PRO A 40 100.145 -12.266 6.044 1.00 0.11 O ATOM 572 CB PRO A 40 97.701 -14.262 6.907 1.00 0.12 C ATOM 573 CG PRO A 40 96.239 -14.513 6.946 1.00 0.12 C ATOM 574 CD PRO A 40 95.654 -13.761 5.761 1.00 0.11 C ATOM 0 HA PRO A 40 97.933 -12.034 6.931 1.00 0.11 H new ATOM 0 HB2 PRO A 40 98.217 -15.031 6.332 1.00 0.12 H new ATOM 0 HB3 PRO A 40 98.128 -14.273 7.910 1.00 0.12 H new ATOM 0 HG2 PRO A 40 96.024 -15.579 6.876 1.00 0.12 H new ATOM 0 HG3 PRO A 40 95.807 -14.161 7.883 1.00 0.12 H new ATOM 0 HD2 PRO A 40 95.507 -14.419 4.904 1.00 0.11 H new ATOM 0 HD3 PRO A 40 94.682 -13.330 6.002 1.00 0.11 H new ATOM 582 N GLU A 41 99.280 -13.351 4.305 1.00 0.11 N ATOM 583 CA GLU A 41 100.499 -13.336 3.519 1.00 0.11 C ATOM 584 C GLU A 41 101.020 -11.944 3.215 1.00 0.11 C ATOM 585 O GLU A 41 102.211 -11.772 2.936 1.00 0.11 O ATOM 586 CB GLU A 41 100.241 -14.064 2.199 1.00 0.12 C ATOM 587 CG GLU A 41 100.266 -15.575 2.437 1.00 0.13 C ATOM 588 CD GLU A 41 98.848 -16.070 2.720 1.00 0.13 C ATOM 589 OE1 GLU A 41 97.965 -15.236 2.854 1.00 0.12 O ATOM 590 OE2 GLU A 41 98.664 -17.274 2.799 1.00 0.13 O ATOM 0 H GLU A 41 98.499 -13.801 3.828 1.00 0.11 H new ATOM 0 HA GLU A 41 101.263 -13.831 4.118 1.00 0.11 H new ATOM 0 HB2 GLU A 41 99.276 -13.765 1.789 1.00 0.12 H new ATOM 0 HB3 GLU A 41 100.998 -13.788 1.465 1.00 0.12 H new ATOM 0 HG2 GLU A 41 100.673 -16.085 1.564 1.00 0.13 H new ATOM 0 HG3 GLU A 41 100.919 -15.811 3.277 1.00 0.13 H new ATOM 597 N TYR A 42 100.176 -10.917 3.272 1.00 0.10 N ATOM 598 CA TYR A 42 100.577 -9.555 3.001 1.00 0.09 C ATOM 599 C TYR A 42 101.548 -8.975 4.015 1.00 0.09 C ATOM 600 O TYR A 42 102.352 -8.108 3.634 1.00 0.09 O ATOM 601 CB TYR A 42 99.327 -8.676 2.961 1.00 0.08 C ATOM 602 CG TYR A 42 99.666 -7.344 2.333 1.00 0.07 C ATOM 603 CD1 TYR A 42 99.737 -7.226 0.941 1.00 0.08 C ATOM 604 CD2 TYR A 42 99.909 -6.230 3.144 1.00 0.07 C ATOM 605 CE1 TYR A 42 100.050 -5.993 0.358 1.00 0.08 C ATOM 606 CE2 TYR A 42 100.223 -4.997 2.561 1.00 0.06 C ATOM 607 CZ TYR A 42 100.293 -4.878 1.169 1.00 0.07 C ATOM 608 OH TYR A 42 100.603 -3.662 0.596 1.00 0.07 O ATOM 0 H TYR A 42 99.189 -11.016 3.510 1.00 0.10 H new ATOM 0 HA TYR A 42 101.102 -9.572 2.046 1.00 0.09 H new ATOM 0 HB2 TYR A 42 98.541 -9.170 2.390 1.00 0.08 H new ATOM 0 HB3 TYR A 42 98.942 -8.527 3.970 1.00 0.08 H new ATOM 0 HD1 TYR A 42 99.550 -8.087 0.316 1.00 0.08 H new ATOM 0 HD2 TYR A 42 99.854 -6.322 4.219 1.00 0.07 H new ATOM 0 HE1 TYR A 42 100.104 -5.902 -0.717 1.00 0.08 H new ATOM 0 HE2 TYR A 42 100.411 -4.137 3.186 1.00 0.06 H new ATOM 0 HH TYR A 42 100.284 -2.937 1.174 1.00 0.07 H new ATOM 618 N VAL A 43 101.526 -9.423 5.266 1.00 0.09 N ATOM 619 CA VAL A 43 102.432 -8.894 6.274 1.00 0.10 C ATOM 620 C VAL A 43 103.897 -9.125 5.908 1.00 0.10 C ATOM 621 O VAL A 43 104.701 -8.192 5.938 1.00 0.10 O ATOM 622 CB VAL A 43 102.140 -9.571 7.613 1.00 0.10 C ATOM 623 CG1 VAL A 43 102.967 -8.905 8.714 1.00 0.10 C ATOM 624 CG2 VAL A 43 100.652 -9.433 7.940 1.00 0.10 C ATOM 0 H VAL A 43 100.893 -10.148 5.603 1.00 0.09 H new ATOM 0 HA VAL A 43 102.269 -7.818 6.337 1.00 0.10 H new ATOM 0 HB VAL A 43 102.403 -10.627 7.550 1.00 0.10 H new ATOM 0 HG11 VAL A 43 102.758 -9.388 9.669 1.00 0.10 H new ATOM 0 HG12 VAL A 43 104.028 -9.003 8.482 1.00 0.10 H new ATOM 0 HG13 VAL A 43 102.705 -7.849 8.777 1.00 0.10 H new ATOM 0 HG21 VAL A 43 100.443 -9.916 8.895 1.00 0.10 H new ATOM 0 HG22 VAL A 43 100.390 -8.377 8.002 1.00 0.10 H new ATOM 0 HG23 VAL A 43 100.062 -9.908 7.156 1.00 0.10 H new ATOM 634 N GLN A 44 104.235 -10.355 5.531 1.00 0.11 N ATOM 635 CA GLN A 44 105.609 -10.664 5.122 1.00 0.12 C ATOM 636 C GLN A 44 105.953 -9.951 3.832 1.00 0.12 C ATOM 637 O GLN A 44 107.082 -9.515 3.613 1.00 0.12 O ATOM 638 CB GLN A 44 105.751 -12.172 4.922 1.00 0.13 C ATOM 639 CG GLN A 44 107.188 -12.503 4.521 1.00 0.14 C ATOM 640 CD GLN A 44 108.158 -11.832 5.495 1.00 0.14 C ATOM 641 OE1 GLN A 44 107.969 -11.889 6.695 1.00 0.14 O ATOM 642 NE2 GLN A 44 109.197 -11.192 5.030 1.00 0.14 N ATOM 0 H GLN A 44 103.591 -11.145 5.499 1.00 0.11 H new ATOM 0 HA GLN A 44 106.292 -10.326 5.902 1.00 0.12 H new ATOM 0 HB2 GLN A 44 105.489 -12.697 5.841 1.00 0.13 H new ATOM 0 HB3 GLN A 44 105.060 -12.513 4.151 1.00 0.13 H new ATOM 0 HG2 GLN A 44 107.339 -13.582 4.527 1.00 0.14 H new ATOM 0 HG3 GLN A 44 107.381 -12.160 3.505 1.00 0.14 H new ATOM 0 HE21 GLN A 44 109.357 -11.143 4.024 1.00 0.14 H new ATOM 0 HE22 GLN A 44 109.848 -10.741 5.673 1.00 0.14 H new ATOM 651 N ALA A 45 104.965 -9.795 2.940 1.00 0.11 N ATOM 652 CA ALA A 45 105.170 -9.058 1.705 1.00 0.11 C ATOM 653 C ALA A 45 105.541 -7.602 1.998 1.00 0.10 C ATOM 654 O ALA A 45 106.290 -6.983 1.233 1.00 0.11 O ATOM 655 CB ALA A 45 103.884 -9.095 0.876 1.00 0.11 C ATOM 0 H ALA A 45 104.024 -10.171 3.058 1.00 0.11 H new ATOM 0 HA ALA A 45 105.987 -9.522 1.152 1.00 0.11 H new ATOM 0 HB1 ALA A 45 104.033 -8.543 -0.052 1.00 0.11 H new ATOM 0 HB2 ALA A 45 103.629 -10.129 0.646 1.00 0.11 H new ATOM 0 HB3 ALA A 45 103.072 -8.639 1.443 1.00 0.11 H new ATOM 661 N MET A 46 105.039 -6.998 3.077 1.00 0.10 N ATOM 662 CA MET A 46 105.431 -5.645 3.446 1.00 0.09 C ATOM 663 C MET A 46 106.886 -5.654 3.920 1.00 0.10 C ATOM 664 O MET A 46 107.629 -4.721 3.614 1.00 0.10 O ATOM 665 CB MET A 46 104.528 -5.138 4.571 1.00 0.08 C ATOM 666 CG MET A 46 103.080 -5.086 4.080 1.00 0.07 C ATOM 667 SD MET A 46 101.990 -4.650 5.458 1.00 0.06 S ATOM 668 CE MET A 46 102.544 -2.939 5.655 1.00 0.06 C ATOM 0 H MET A 46 104.361 -7.427 3.707 1.00 0.10 H new ATOM 0 HA MET A 46 105.332 -4.987 2.583 1.00 0.09 H new ATOM 0 HB2 MET A 46 104.606 -5.794 5.438 1.00 0.08 H new ATOM 0 HB3 MET A 46 104.850 -4.147 4.892 1.00 0.08 H new ATOM 0 HG2 MET A 46 102.982 -4.353 3.279 1.00 0.07 H new ATOM 0 HG3 MET A 46 102.791 -6.052 3.665 1.00 0.07 H new ATOM 0 HE1 MET A 46 101.738 -2.342 6.082 1.00 0.06 H new ATOM 0 HE2 MET A 46 103.408 -2.910 6.319 1.00 0.06 H new ATOM 0 HE3 MET A 46 102.821 -2.532 4.682 1.00 0.06 H new ATOM 678 N LEU A 47 107.257 -6.705 4.652 1.00 0.10 N ATOM 679 CA LEU A 47 108.647 -6.788 5.122 1.00 0.11 C ATOM 680 C LEU A 47 109.560 -7.063 3.936 1.00 0.12 C ATOM 681 O LEU A 47 110.635 -6.479 3.834 1.00 0.13 O ATOM 682 CB LEU A 47 108.776 -7.921 6.142 1.00 0.12 C ATOM 683 CG LEU A 47 108.011 -7.550 7.414 1.00 0.12 C ATOM 684 CD1 LEU A 47 107.931 -8.772 8.334 1.00 0.13 C ATOM 685 CD2 LEU A 47 108.740 -6.416 8.137 1.00 0.11 C ATOM 0 H LEU A 47 106.651 -7.479 4.924 1.00 0.10 H new ATOM 0 HA LEU A 47 108.932 -5.847 5.593 1.00 0.11 H new ATOM 0 HB2 LEU A 47 108.382 -8.847 5.725 1.00 0.12 H new ATOM 0 HB3 LEU A 47 109.826 -8.098 6.375 1.00 0.12 H new ATOM 0 HG LEU A 47 107.005 -7.224 7.151 1.00 0.12 H new ATOM 0 HD11 LEU A 47 107.386 -8.510 9.241 1.00 0.13 H new ATOM 0 HD12 LEU A 47 107.412 -9.581 7.820 1.00 0.13 H new ATOM 0 HD13 LEU A 47 108.938 -9.096 8.597 1.00 0.13 H new ATOM 0 HD21 LEU A 47 108.194 -6.152 9.043 1.00 0.11 H new ATOM 0 HD22 LEU A 47 109.747 -6.741 8.401 1.00 0.11 H new ATOM 0 HD23 LEU A 47 108.799 -5.546 7.483 1.00 0.11 H new ATOM 697 N ASP A 48 109.108 -7.916 3.015 1.00 0.13 N ATOM 698 CA ASP A 48 109.866 -8.155 1.792 1.00 0.13 C ATOM 699 C ASP A 48 110.099 -6.868 1.011 1.00 0.13 C ATOM 700 O ASP A 48 111.200 -6.619 0.507 1.00 0.14 O ATOM 701 CB ASP A 48 109.096 -9.142 0.911 1.00 0.14 C ATOM 702 CG ASP A 48 109.035 -10.504 1.605 1.00 0.14 C ATOM 703 OD1 ASP A 48 109.811 -10.717 2.522 1.00 0.15 O ATOM 704 OD2 ASP A 48 108.210 -11.312 1.210 1.00 0.14 O ATOM 0 H ASP A 48 108.238 -8.442 3.092 1.00 0.13 H new ATOM 0 HA ASP A 48 110.838 -8.562 2.071 1.00 0.13 H new ATOM 0 HB2 ASP A 48 108.088 -8.771 0.726 1.00 0.14 H new ATOM 0 HB3 ASP A 48 109.584 -9.238 -0.059 1.00 0.14 H new ATOM 709 N ARG A 49 109.044 -6.061 0.867 1.00 0.12 N ATOM 710 CA ARG A 49 109.192 -4.809 0.116 1.00 0.12 C ATOM 711 C ARG A 49 110.181 -3.877 0.801 1.00 0.12 C ATOM 712 O ARG A 49 110.931 -3.172 0.112 1.00 0.13 O ATOM 713 CB ARG A 49 107.810 -4.141 0.015 1.00 0.11 C ATOM 714 CG ARG A 49 107.925 -2.680 -0.441 1.00 0.10 C ATOM 715 CD ARG A 49 108.567 -2.595 -1.823 1.00 0.13 C ATOM 716 NE ARG A 49 108.629 -1.201 -2.250 1.00 0.15 N ATOM 717 CZ ARG A 49 109.719 -0.464 -2.046 1.00 0.16 C ATOM 718 NH1 ARG A 49 110.742 -0.971 -1.409 1.00 0.15 N ATOM 719 NH2 ARG A 49 109.763 0.769 -2.470 1.00 0.19 N ATOM 0 H ARG A 49 108.113 -6.240 1.243 1.00 0.12 H new ATOM 0 HA ARG A 49 109.580 -5.024 -0.880 1.00 0.12 H new ATOM 0 HB2 ARG A 49 107.187 -4.695 -0.687 1.00 0.11 H new ATOM 0 HB3 ARG A 49 107.312 -4.183 0.984 1.00 0.11 H new ATOM 0 HG2 ARG A 49 106.936 -2.223 -0.465 1.00 0.10 H new ATOM 0 HG3 ARG A 49 108.520 -2.115 0.277 1.00 0.10 H new ATOM 0 HD2 ARG A 49 109.569 -3.022 -1.796 1.00 0.13 H new ATOM 0 HD3 ARG A 49 107.990 -3.180 -2.539 1.00 0.13 H new ATOM 0 HE ARG A 49 107.822 -0.783 -2.713 1.00 0.15 H new ATOM 0 HH11 ARG A 49 110.705 -1.932 -1.068 1.00 0.15 H new ATOM 0 HH12 ARG A 49 111.577 -0.406 -1.253 1.00 0.15 H new ATOM 0 HH21 ARG A 49 108.962 1.169 -2.958 1.00 0.19 H new ATOM 0 HH22 ARG A 49 110.598 1.333 -2.313 1.00 0.19 H new ATOM 733 N GLU A 50 110.174 -3.818 2.126 1.00 0.12 N ATOM 734 CA GLU A 50 111.067 -2.941 2.873 1.00 0.12 C ATOM 735 C GLU A 50 112.541 -3.263 2.633 1.00 0.13 C ATOM 736 O GLU A 50 113.348 -2.338 2.472 1.00 0.13 O ATOM 737 CB GLU A 50 110.763 -3.075 4.365 1.00 0.11 C ATOM 738 CG GLU A 50 111.868 -3.892 5.039 1.00 0.12 C ATOM 739 CD GLU A 50 111.486 -4.164 6.495 1.00 0.12 C ATOM 740 OE1 GLU A 50 111.798 -3.333 7.335 1.00 0.12 O ATOM 741 OE2 GLU A 50 110.888 -5.197 6.747 1.00 0.12 O ATOM 0 H GLU A 50 109.552 -4.374 2.712 1.00 0.12 H new ATOM 0 HA GLU A 50 110.894 -1.922 2.526 1.00 0.12 H new ATOM 0 HB2 GLU A 50 110.694 -2.088 4.823 1.00 0.11 H new ATOM 0 HB3 GLU A 50 109.798 -3.561 4.508 1.00 0.11 H new ATOM 0 HG2 GLU A 50 112.014 -4.833 4.508 1.00 0.12 H new ATOM 0 HG3 GLU A 50 112.813 -3.351 4.995 1.00 0.12 H new ATOM 748 N LYS A 51 112.856 -4.549 2.494 1.00 0.14 N ATOM 749 CA LYS A 51 114.224 -4.976 2.185 1.00 0.15 C ATOM 750 C LYS A 51 114.706 -4.459 0.846 1.00 0.15 C ATOM 751 O LYS A 51 115.890 -4.129 0.694 1.00 0.16 O ATOM 752 CB LYS A 51 114.276 -6.503 2.177 1.00 0.16 C ATOM 753 CG LYS A 51 114.061 -7.030 3.598 1.00 0.15 C ATOM 754 CD LYS A 51 114.123 -8.559 3.591 1.00 0.16 C ATOM 755 CE LYS A 51 113.855 -9.086 5.002 1.00 0.16 C ATOM 756 NZ LYS A 51 114.972 -8.684 5.904 1.00 0.17 N ATOM 0 H LYS A 51 112.187 -5.313 2.590 1.00 0.14 H new ATOM 0 HA LYS A 51 114.880 -4.562 2.951 1.00 0.15 H new ATOM 0 HB2 LYS A 51 113.510 -6.900 1.511 1.00 0.16 H new ATOM 0 HB3 LYS A 51 115.238 -6.842 1.794 1.00 0.16 H new ATOM 0 HG2 LYS A 51 114.823 -6.628 4.265 1.00 0.15 H new ATOM 0 HG3 LYS A 51 113.096 -6.696 3.979 1.00 0.15 H new ATOM 0 HD2 LYS A 51 113.386 -8.960 2.895 1.00 0.16 H new ATOM 0 HD3 LYS A 51 115.102 -8.892 3.246 1.00 0.16 H new ATOM 0 HE2 LYS A 51 112.911 -8.690 5.376 1.00 0.16 H new ATOM 0 HE3 LYS A 51 113.761 -10.172 4.984 1.00 0.16 H new ATOM 0 HZ1 LYS A 51 114.948 -9.265 6.766 1.00 0.17 H new ATOM 0 HZ2 LYS A 51 115.880 -8.825 5.417 1.00 0.17 H new ATOM 0 HZ3 LYS A 51 114.868 -7.681 6.159 1.00 0.17 H new ATOM 770 N LEU A 52 113.853 -4.400 -0.179 1.00 0.15 N ATOM 771 CA LEU A 52 114.289 -3.928 -1.495 1.00 0.16 C ATOM 772 C LEU A 52 114.798 -2.498 -1.487 1.00 0.16 C ATOM 773 O LEU A 52 115.798 -2.160 -2.121 1.00 0.17 O ATOM 774 CB LEU A 52 113.122 -4.030 -2.481 1.00 0.16 C ATOM 775 CG LEU A 52 112.822 -5.507 -2.779 1.00 0.19 C ATOM 776 CD1 LEU A 52 111.515 -5.624 -3.584 1.00 0.17 C ATOM 777 CD2 LEU A 52 113.986 -6.118 -3.579 1.00 0.25 C ATOM 0 H LEU A 52 112.871 -4.669 -0.126 1.00 0.15 H new ATOM 0 HA LEU A 52 115.122 -4.564 -1.794 1.00 0.16 H new ATOM 0 HB2 LEU A 52 112.238 -3.547 -2.064 1.00 0.16 H new ATOM 0 HB3 LEU A 52 113.367 -3.505 -3.405 1.00 0.16 H new ATOM 0 HG LEU A 52 112.708 -6.048 -1.839 1.00 0.19 H new ATOM 0 HD11 LEU A 52 111.308 -6.674 -3.792 1.00 0.17 H new ATOM 0 HD12 LEU A 52 110.693 -5.200 -3.007 1.00 0.17 H new ATOM 0 HD13 LEU A 52 111.617 -5.081 -4.524 1.00 0.17 H new ATOM 0 HD21 LEU A 52 113.772 -7.166 -3.790 1.00 0.25 H new ATOM 0 HD22 LEU A 52 114.107 -5.576 -4.517 1.00 0.25 H new ATOM 0 HD23 LEU A 52 114.905 -6.045 -2.997 1.00 0.25 H new ATOM 789 N THR A 53 114.122 -1.601 -0.789 1.00 0.15 N ATOM 790 CA THR A 53 114.473 -0.191 -0.667 1.00 0.15 C ATOM 791 C THR A 53 113.517 0.377 0.379 1.00 0.13 C ATOM 792 O THR A 53 112.367 -0.060 0.413 1.00 0.13 O ATOM 793 CB THR A 53 114.265 0.466 -2.044 1.00 0.15 C ATOM 794 OG1 THR A 53 115.231 -0.044 -2.953 1.00 0.19 O ATOM 795 CG2 THR A 53 114.402 1.985 -1.971 1.00 0.18 C ATOM 0 H THR A 53 113.278 -1.843 -0.269 1.00 0.15 H new ATOM 0 HA THR A 53 115.506 -0.018 -0.365 1.00 0.15 H new ATOM 0 HB THR A 53 113.255 0.232 -2.382 1.00 0.15 H new ATOM 0 HG1 THR A 53 115.825 -0.666 -2.484 1.00 0.19 H new ATOM 0 HG21 THR A 53 114.249 2.412 -2.962 1.00 0.18 H new ATOM 0 HG22 THR A 53 113.656 2.385 -1.284 1.00 0.18 H new ATOM 0 HG23 THR A 53 115.399 2.244 -1.615 1.00 0.18 H new ATOM 803 N PRO A 54 113.981 1.211 1.285 1.00 0.13 N ATOM 804 CA PRO A 54 113.142 1.745 2.337 1.00 0.12 C ATOM 805 C PRO A 54 111.898 2.448 1.815 1.00 0.11 C ATOM 806 O PRO A 54 111.869 3.009 0.711 1.00 0.12 O ATOM 807 CB PRO A 54 114.020 2.761 3.096 1.00 0.12 C ATOM 808 CG PRO A 54 115.419 2.395 2.768 1.00 0.13 C ATOM 809 CD PRO A 54 115.376 1.726 1.405 1.00 0.14 C ATOM 0 HA PRO A 54 112.783 0.929 2.964 1.00 0.12 H new ATOM 0 HB2 PRO A 54 113.798 3.782 2.785 1.00 0.12 H new ATOM 0 HB3 PRO A 54 113.842 2.709 4.170 1.00 0.12 H new ATOM 0 HG2 PRO A 54 116.057 3.278 2.748 1.00 0.13 H new ATOM 0 HG3 PRO A 54 115.831 1.721 3.519 1.00 0.13 H new ATOM 0 HD2 PRO A 54 115.608 2.433 0.608 1.00 0.14 H new ATOM 0 HD3 PRO A 54 116.105 0.918 1.336 1.00 0.14 H new ATOM 817 N THR A 55 110.846 2.438 2.630 1.00 0.10 N ATOM 818 CA THR A 55 109.589 3.103 2.242 1.00 0.09 C ATOM 819 C THR A 55 109.500 4.473 2.917 1.00 0.09 C ATOM 820 O THR A 55 108.483 5.174 2.934 1.00 0.08 O ATOM 821 CB THR A 55 108.398 2.235 2.673 1.00 0.08 C ATOM 822 OG1 THR A 55 107.223 2.716 2.036 1.00 0.08 O ATOM 823 CG2 THR A 55 108.206 2.290 4.207 1.00 0.07 C ATOM 0 H THR A 55 110.829 1.989 3.546 1.00 0.10 H new ATOM 0 HA THR A 55 109.568 3.236 1.160 1.00 0.09 H new ATOM 0 HB THR A 55 108.591 1.202 2.384 1.00 0.08 H new ATOM 0 HG1 THR A 55 106.526 2.028 2.072 1.00 0.08 H new ATOM 0 HG21 THR A 55 107.357 1.668 4.490 1.00 0.07 H new ATOM 0 HG22 THR A 55 109.106 1.922 4.700 1.00 0.07 H new ATOM 0 HG23 THR A 55 108.020 3.319 4.514 1.00 0.07 H new ATOM 831 N TYR A 56 110.626 4.871 3.522 1.00 0.09 N ATOM 832 CA TYR A 56 110.732 6.216 4.103 1.00 0.09 C ATOM 833 C TYR A 56 110.596 7.180 2.922 1.00 0.09 C ATOM 834 O TYR A 56 111.191 6.929 1.864 1.00 0.10 O ATOM 835 CB TYR A 56 112.119 6.421 4.731 1.00 0.09 C ATOM 836 CG TYR A 56 112.165 7.720 5.514 1.00 0.10 C ATOM 837 CD1 TYR A 56 111.280 7.946 6.578 1.00 0.30 C ATOM 838 CD2 TYR A 56 113.112 8.699 5.178 1.00 0.31 C ATOM 839 CE1 TYR A 56 111.343 9.148 7.297 1.00 0.31 C ATOM 840 CE2 TYR A 56 113.171 9.899 5.898 1.00 0.33 C ATOM 841 CZ TYR A 56 112.289 10.121 6.958 1.00 0.19 C ATOM 842 OH TYR A 56 112.350 11.304 7.670 1.00 0.24 O ATOM 0 H TYR A 56 111.462 4.294 3.621 1.00 0.09 H new ATOM 0 HA TYR A 56 109.978 6.371 4.874 1.00 0.09 H new ATOM 0 HB2 TYR A 56 112.353 5.585 5.390 1.00 0.09 H new ATOM 0 HB3 TYR A 56 112.879 6.434 3.950 1.00 0.09 H new ATOM 0 HD1 TYR A 56 110.551 7.195 6.843 1.00 0.30 H new ATOM 0 HD2 TYR A 56 113.798 8.527 4.362 1.00 0.31 H new ATOM 0 HE1 TYR A 56 110.659 9.323 8.115 1.00 0.31 H new ATOM 0 HE2 TYR A 56 113.898 10.652 5.634 1.00 0.33 H new ATOM 0 HH TYR A 56 112.268 11.114 8.628 1.00 0.24 H new ATOM 852 N LEU A 57 109.851 8.259 3.081 1.00 0.09 N ATOM 853 CA LEU A 57 109.637 9.193 1.996 1.00 0.10 C ATOM 854 C LEU A 57 110.191 10.582 2.319 1.00 0.10 C ATOM 855 O LEU A 57 109.909 11.510 1.565 1.00 0.11 O ATOM 856 CB LEU A 57 108.159 9.364 1.646 1.00 0.09 C ATOM 857 CG LEU A 57 107.568 8.092 1.020 1.00 0.11 C ATOM 858 CD1 LEU A 57 106.176 8.416 0.476 1.00 0.11 C ATOM 859 CD2 LEU A 57 108.438 7.578 -0.141 1.00 0.20 C ATOM 0 H LEU A 57 109.384 8.508 3.953 1.00 0.09 H new ATOM 0 HA LEU A 57 110.167 8.759 1.148 1.00 0.10 H new ATOM 0 HB2 LEU A 57 107.600 9.619 2.546 1.00 0.09 H new ATOM 0 HB3 LEU A 57 108.044 10.197 0.953 1.00 0.09 H new ATOM 0 HG LEU A 57 107.525 7.320 1.788 1.00 0.11 H new ATOM 0 HD11 LEU A 57 105.743 7.522 0.028 1.00 0.11 H new ATOM 0 HD12 LEU A 57 105.538 8.759 1.290 1.00 0.11 H new ATOM 0 HD13 LEU A 57 106.253 9.199 -0.279 1.00 0.11 H new ATOM 0 HD21 LEU A 57 107.990 6.677 -0.560 1.00 0.20 H new ATOM 0 HD22 LEU A 57 108.503 8.344 -0.914 1.00 0.20 H new ATOM 0 HD23 LEU A 57 109.438 7.348 0.228 1.00 0.20 H new ATOM 871 N GLY A 58 110.959 10.691 3.392 1.00 0.10 N ATOM 872 CA GLY A 58 111.501 11.991 3.793 1.00 0.10 C ATOM 873 C GLY A 58 110.432 12.658 4.666 1.00 0.09 C ATOM 874 O GLY A 58 109.294 12.209 4.758 1.00 0.08 O ATOM 0 H GLY A 58 111.221 9.912 3.996 1.00 0.10 H new ATOM 0 HA2 GLY A 58 112.433 11.869 4.346 1.00 0.10 H new ATOM 0 HA3 GLY A 58 111.726 12.603 2.920 1.00 0.10 H new ATOM 878 N GLU A 59 110.815 13.766 5.290 1.00 0.09 N ATOM 879 CA GLU A 59 109.925 14.563 6.117 1.00 0.09 C ATOM 880 C GLU A 59 109.230 13.797 7.223 1.00 0.07 C ATOM 881 O GLU A 59 108.050 14.025 7.518 1.00 0.07 O ATOM 882 CB GLU A 59 108.854 15.210 5.240 1.00 0.09 C ATOM 883 CG GLU A 59 109.486 16.299 4.374 1.00 0.11 C ATOM 884 CD GLU A 59 108.412 16.981 3.533 1.00 1.02 C ATOM 885 OE1 GLU A 59 107.247 16.677 3.733 1.00 1.61 O ATOM 886 OE2 GLU A 59 108.769 17.799 2.701 1.00 1.26 O ATOM 0 H GLU A 59 111.763 14.138 5.234 1.00 0.09 H new ATOM 0 HA GLU A 59 110.565 15.301 6.600 1.00 0.09 H new ATOM 0 HB2 GLU A 59 108.384 14.457 4.608 1.00 0.09 H new ATOM 0 HB3 GLU A 59 108.069 15.638 5.864 1.00 0.09 H new ATOM 0 HG2 GLU A 59 109.987 17.033 5.005 1.00 0.11 H new ATOM 0 HG3 GLU A 59 110.247 15.864 3.726 1.00 0.11 H new ATOM 893 N SER A 60 109.921 12.860 7.861 1.00 0.07 N ATOM 894 CA SER A 60 109.419 12.070 8.974 1.00 0.06 C ATOM 895 C SER A 60 108.252 11.156 8.671 1.00 0.05 C ATOM 896 O SER A 60 107.517 10.697 9.552 1.00 0.04 O ATOM 897 CB SER A 60 109.004 13.025 10.092 1.00 0.06 C ATOM 898 OG SER A 60 107.621 12.847 10.372 1.00 0.05 O ATOM 0 H SER A 60 110.880 12.623 7.607 1.00 0.07 H new ATOM 0 HA SER A 60 110.239 11.407 9.249 1.00 0.06 H new ATOM 0 HB2 SER A 60 109.596 12.834 10.987 1.00 0.06 H new ATOM 0 HB3 SER A 60 109.197 14.056 9.796 1.00 0.06 H new ATOM 0 HG SER A 60 107.469 11.939 10.707 1.00 0.05 H new ATOM 904 N ILE A 61 108.062 10.782 7.400 1.00 0.06 N ATOM 905 CA ILE A 61 106.996 9.913 6.955 1.00 0.05 C ATOM 906 C ILE A 61 107.535 8.626 6.317 1.00 0.05 C ATOM 907 O ILE A 61 108.409 8.699 5.455 1.00 0.06 O ATOM 908 CB ILE A 61 106.141 10.660 5.929 1.00 0.06 C ATOM 909 CG1 ILE A 61 105.539 11.904 6.576 1.00 0.06 C ATOM 910 CG2 ILE A 61 105.001 9.767 5.427 1.00 0.06 C ATOM 911 CD1 ILE A 61 104.910 12.772 5.488 1.00 0.07 C ATOM 0 H ILE A 61 108.669 11.091 6.641 1.00 0.06 H new ATOM 0 HA ILE A 61 106.403 9.633 7.826 1.00 0.05 H new ATOM 0 HB ILE A 61 106.776 10.940 5.089 1.00 0.06 H new ATOM 0 HG12 ILE A 61 104.788 11.620 7.313 1.00 0.06 H new ATOM 0 HG13 ILE A 61 106.310 12.464 7.106 1.00 0.06 H new ATOM 0 HG21 ILE A 61 104.404 10.315 4.698 1.00 0.06 H new ATOM 0 HG22 ILE A 61 105.417 8.875 4.958 1.00 0.06 H new ATOM 0 HG23 ILE A 61 104.371 9.475 6.267 1.00 0.06 H new ATOM 0 HD11 ILE A 61 104.476 13.664 5.940 1.00 0.07 H new ATOM 0 HD12 ILE A 61 105.675 13.064 4.768 1.00 0.07 H new ATOM 0 HD13 ILE A 61 104.129 12.208 4.978 1.00 0.07 H new ATOM 923 N ALA A 62 106.928 7.494 6.647 1.00 0.05 N ATOM 924 CA ALA A 62 107.211 6.222 5.996 1.00 0.05 C ATOM 925 C ALA A 62 105.856 5.610 5.607 1.00 0.05 C ATOM 926 O ALA A 62 104.874 5.684 6.353 1.00 0.04 O ATOM 927 CB ALA A 62 107.943 5.291 6.965 1.00 0.05 C ATOM 0 H ALA A 62 106.220 7.432 7.379 1.00 0.05 H new ATOM 0 HA ALA A 62 107.844 6.363 5.120 1.00 0.05 H new ATOM 0 HB1 ALA A 62 108.151 4.342 6.471 1.00 0.05 H new ATOM 0 HB2 ALA A 62 108.881 5.752 7.274 1.00 0.05 H new ATOM 0 HB3 ALA A 62 107.319 5.115 7.841 1.00 0.05 H new ATOM 933 N VAL A 63 105.811 4.968 4.446 1.00 0.05 N ATOM 934 CA VAL A 63 104.585 4.371 3.908 1.00 0.05 C ATOM 935 C VAL A 63 104.800 2.935 3.452 1.00 0.06 C ATOM 936 O VAL A 63 104.841 2.628 2.250 1.00 0.06 O ATOM 937 CB VAL A 63 104.097 5.179 2.701 1.00 0.06 C ATOM 938 CG1 VAL A 63 103.880 6.635 3.113 1.00 0.22 C ATOM 939 CG2 VAL A 63 105.136 5.097 1.560 1.00 0.21 C ATOM 0 H VAL A 63 106.626 4.844 3.845 1.00 0.05 H new ATOM 0 HA VAL A 63 103.849 4.381 4.712 1.00 0.05 H new ATOM 0 HB VAL A 63 103.153 4.765 2.346 1.00 0.06 H new ATOM 0 HG11 VAL A 63 103.533 7.208 2.253 1.00 0.22 H new ATOM 0 HG12 VAL A 63 103.133 6.681 3.906 1.00 0.22 H new ATOM 0 HG13 VAL A 63 104.819 7.055 3.474 1.00 0.22 H new ATOM 0 HG21 VAL A 63 104.783 5.673 0.705 1.00 0.21 H new ATOM 0 HG22 VAL A 63 106.087 5.503 1.904 1.00 0.21 H new ATOM 0 HG23 VAL A 63 105.271 4.056 1.265 1.00 0.21 H new ATOM 949 N PRO A 64 104.988 1.998 4.376 1.00 0.05 N ATOM 950 CA PRO A 64 105.247 0.604 4.050 1.00 0.06 C ATOM 951 C PRO A 64 104.073 -0.027 3.318 1.00 0.06 C ATOM 952 O PRO A 64 102.912 0.266 3.581 1.00 0.05 O ATOM 953 CB PRO A 64 105.468 -0.085 5.402 1.00 0.06 C ATOM 954 CG PRO A 64 104.890 0.833 6.424 1.00 0.05 C ATOM 955 CD PRO A 64 104.960 2.233 5.826 1.00 0.04 C ATOM 0 HA PRO A 64 106.105 0.504 3.385 1.00 0.06 H new ATOM 0 HB2 PRO A 64 104.979 -1.059 5.429 1.00 0.06 H new ATOM 0 HB3 PRO A 64 106.529 -0.256 5.585 1.00 0.06 H new ATOM 0 HG2 PRO A 64 103.861 0.559 6.655 1.00 0.05 H new ATOM 0 HG3 PRO A 64 105.451 0.780 7.357 1.00 0.05 H new ATOM 0 HD2 PRO A 64 104.099 2.835 6.116 1.00 0.04 H new ATOM 0 HD3 PRO A 64 105.849 2.766 6.161 1.00 0.04 H new ATOM 963 N GLN A 65 104.394 -0.870 2.339 1.00 0.07 N ATOM 964 CA GLN A 65 103.383 -1.578 1.561 1.00 0.07 C ATOM 965 C GLN A 65 103.962 -2.905 1.061 1.00 0.08 C ATOM 966 O GLN A 65 105.151 -3.167 1.246 1.00 0.08 O ATOM 967 CB GLN A 65 102.936 -0.698 0.379 1.00 0.07 C ATOM 968 CG GLN A 65 103.968 -0.697 -0.762 1.00 0.09 C ATOM 969 CD GLN A 65 105.249 0.000 -0.315 1.00 0.11 C ATOM 970 OE1 GLN A 65 105.277 0.637 0.740 1.00 0.19 O ATOM 971 NE2 GLN A 65 106.315 -0.064 -1.068 1.00 0.12 N ATOM 0 H GLN A 65 105.354 -1.080 2.065 1.00 0.07 H new ATOM 0 HA GLN A 65 102.515 -1.790 2.185 1.00 0.07 H new ATOM 0 HB2 GLN A 65 101.979 -1.057 0.001 1.00 0.07 H new ATOM 0 HB3 GLN A 65 102.779 0.323 0.726 1.00 0.07 H new ATOM 0 HG2 GLN A 65 104.189 -1.721 -1.063 1.00 0.09 H new ATOM 0 HG3 GLN A 65 103.555 -0.190 -1.634 1.00 0.09 H new ATOM 0 HE21 GLN A 65 106.292 -0.591 -1.941 1.00 0.12 H new ATOM 0 HE22 GLN A 65 107.170 0.413 -0.783 1.00 0.12 H new ATOM 980 N GLY A 66 103.107 -3.743 0.492 1.00 0.08 N ATOM 981 CA GLY A 66 103.545 -5.074 -0.001 1.00 0.09 C ATOM 982 C GLY A 66 104.130 -4.999 -1.386 1.00 0.10 C ATOM 983 O GLY A 66 104.038 -4.004 -2.067 1.00 0.10 O ATOM 0 H GLY A 66 102.116 -3.544 0.354 1.00 0.08 H new ATOM 0 HA2 GLY A 66 104.286 -5.488 0.683 1.00 0.09 H new ATOM 0 HA3 GLY A 66 102.696 -5.757 -0.003 1.00 0.09 H new ATOM 987 N THR A 67 104.708 -6.073 -1.817 1.00 0.11 N ATOM 988 CA THR A 67 105.286 -6.093 -3.170 1.00 0.12 C ATOM 989 C THR A 67 104.219 -6.293 -4.231 1.00 0.12 C ATOM 990 O THR A 67 103.159 -6.841 -3.921 1.00 0.11 O ATOM 991 CB THR A 67 106.309 -7.227 -3.270 1.00 0.13 C ATOM 992 OG1 THR A 67 105.652 -8.472 -3.077 1.00 0.23 O ATOM 993 CG2 THR A 67 107.384 -7.043 -2.198 1.00 0.25 C ATOM 0 H THR A 67 104.804 -6.939 -1.287 1.00 0.11 H new ATOM 0 HA THR A 67 105.765 -5.130 -3.344 1.00 0.12 H new ATOM 0 HB THR A 67 106.776 -7.211 -4.255 1.00 0.13 H new ATOM 0 HG1 THR A 67 106.305 -9.200 -3.142 1.00 0.23 H new ATOM 0 HG21 THR A 67 108.112 -7.851 -2.270 1.00 0.25 H new ATOM 0 HG22 THR A 67 107.887 -6.087 -2.347 1.00 0.25 H new ATOM 0 HG23 THR A 67 106.921 -7.059 -1.212 1.00 0.25 H new ATOM 1001 N VAL A 68 104.548 -6.089 -5.501 1.00 0.13 N ATOM 1002 CA VAL A 68 103.648 -6.367 -6.612 1.00 0.13 C ATOM 1003 C VAL A 68 103.221 -7.826 -6.667 1.00 0.13 C ATOM 1004 O VAL A 68 102.104 -8.147 -7.096 1.00 0.13 O ATOM 1005 CB VAL A 68 104.420 -6.024 -7.913 1.00 0.15 C ATOM 1006 CG1 VAL A 68 105.687 -6.905 -7.994 1.00 0.16 C ATOM 1007 CG2 VAL A 68 103.580 -6.285 -9.173 1.00 0.15 C ATOM 0 H VAL A 68 105.455 -5.723 -5.790 1.00 0.13 H new ATOM 0 HA VAL A 68 102.742 -5.773 -6.490 1.00 0.13 H new ATOM 0 HB VAL A 68 104.668 -4.963 -7.876 1.00 0.15 H new ATOM 0 HG11 VAL A 68 106.236 -6.670 -8.906 1.00 0.16 H new ATOM 0 HG12 VAL A 68 106.321 -6.711 -7.129 1.00 0.16 H new ATOM 0 HG13 VAL A 68 105.399 -7.956 -8.004 1.00 0.16 H new ATOM 0 HG21 VAL A 68 104.163 -6.030 -10.058 1.00 0.15 H new ATOM 0 HG22 VAL A 68 103.301 -7.338 -9.213 1.00 0.15 H new ATOM 0 HG23 VAL A 68 102.679 -5.672 -9.143 1.00 0.15 H new ATOM 1017 N GLU A 69 104.043 -8.734 -6.161 1.00 0.14 N ATOM 1018 CA GLU A 69 103.746 -10.155 -6.107 1.00 0.14 C ATOM 1019 C GLU A 69 102.592 -10.494 -5.178 1.00 0.13 C ATOM 1020 O GLU A 69 101.899 -11.495 -5.392 1.00 0.13 O ATOM 1021 CB GLU A 69 104.994 -10.904 -5.640 1.00 0.15 C ATOM 1022 CG GLU A 69 104.729 -12.410 -5.673 1.00 0.15 C ATOM 1023 CD GLU A 69 105.991 -13.162 -5.247 1.00 0.16 C ATOM 1024 OE1 GLU A 69 107.044 -12.549 -5.238 1.00 0.16 O ATOM 1025 OE2 GLU A 69 105.879 -14.336 -4.940 1.00 0.16 O ATOM 0 H GLU A 69 104.954 -8.497 -5.769 1.00 0.14 H new ATOM 0 HA GLU A 69 103.448 -10.458 -7.111 1.00 0.14 H new ATOM 0 HB2 GLU A 69 105.840 -10.659 -6.283 1.00 0.15 H new ATOM 0 HB3 GLU A 69 105.261 -10.593 -4.630 1.00 0.15 H new ATOM 0 HG2 GLU A 69 103.903 -12.659 -5.007 1.00 0.15 H new ATOM 0 HG3 GLU A 69 104.433 -12.716 -6.676 1.00 0.15 H new ATOM 1032 N ALA A 70 102.374 -9.673 -4.151 1.00 0.12 N ATOM 1033 CA ALA A 70 101.294 -9.908 -3.218 1.00 0.11 C ATOM 1034 C ALA A 70 99.976 -9.243 -3.575 1.00 0.11 C ATOM 1035 O ALA A 70 99.063 -9.294 -2.746 1.00 0.10 O ATOM 1036 CB ALA A 70 101.727 -9.416 -1.839 1.00 0.11 C ATOM 0 H ALA A 70 102.934 -8.844 -3.952 1.00 0.12 H new ATOM 0 HA ALA A 70 101.105 -10.981 -3.245 1.00 0.11 H new ATOM 0 HB1 ALA A 70 100.923 -9.586 -1.123 1.00 0.11 H new ATOM 0 HB2 ALA A 70 102.617 -9.960 -1.521 1.00 0.11 H new ATOM 0 HB3 ALA A 70 101.951 -8.350 -1.887 1.00 0.11 H new ATOM 1042 N LYS A 71 99.800 -8.702 -4.773 1.00 0.11 N ATOM 1043 CA LYS A 71 98.568 -8.027 -5.161 1.00 0.11 C ATOM 1044 C LYS A 71 97.294 -8.813 -4.954 1.00 0.11 C ATOM 1045 O LYS A 71 96.293 -8.208 -4.527 1.00 0.10 O ATOM 1046 CB LYS A 71 98.669 -7.653 -6.639 1.00 0.12 C ATOM 1047 CG LYS A 71 98.017 -8.745 -7.489 1.00 0.12 C ATOM 1048 CD LYS A 71 97.632 -8.170 -8.853 1.00 0.13 C ATOM 1049 CE LYS A 71 97.282 -9.312 -9.809 1.00 0.14 C ATOM 1050 NZ LYS A 71 97.178 -8.781 -11.198 1.00 0.15 N ATOM 0 H LYS A 71 100.510 -8.719 -5.506 1.00 0.11 H new ATOM 0 HA LYS A 71 98.488 -7.163 -4.501 1.00 0.11 H new ATOM 0 HB2 LYS A 71 98.177 -6.697 -6.817 1.00 0.12 H new ATOM 0 HB3 LYS A 71 99.714 -7.532 -6.923 1.00 0.12 H new ATOM 0 HG2 LYS A 71 98.705 -9.581 -7.616 1.00 0.12 H new ATOM 0 HG3 LYS A 71 97.133 -9.134 -6.984 1.00 0.12 H new ATOM 0 HD2 LYS A 71 96.782 -7.496 -8.748 1.00 0.13 H new ATOM 0 HD3 LYS A 71 98.456 -7.583 -9.258 1.00 0.13 H new ATOM 0 HE2 LYS A 71 98.046 -10.088 -9.761 1.00 0.14 H new ATOM 0 HE3 LYS A 71 96.340 -9.773 -9.513 1.00 0.14 H new ATOM 0 HZ1 LYS A 71 96.940 -9.556 -11.849 1.00 0.15 H new ATOM 0 HZ2 LYS A 71 96.434 -8.055 -11.237 1.00 0.15 H new ATOM 0 HZ3 LYS A 71 98.087 -8.361 -11.478 1.00 0.15 H new ATOM 1064 N ASP A 72 97.248 -10.123 -5.176 1.00 0.11 N ATOM 1065 CA ASP A 72 96.059 -10.927 -4.960 1.00 0.11 C ATOM 1066 C ASP A 72 95.769 -11.288 -3.509 1.00 0.10 C ATOM 1067 O ASP A 72 94.757 -11.928 -3.217 1.00 0.10 O ATOM 1068 CB ASP A 72 96.197 -12.222 -5.762 1.00 0.12 C ATOM 1069 CG ASP A 72 96.032 -11.918 -7.252 1.00 0.12 C ATOM 1070 OD1 ASP A 72 95.301 -10.996 -7.571 1.00 0.12 O ATOM 1071 OD2 ASP A 72 96.639 -12.615 -8.049 1.00 0.13 O ATOM 0 H ASP A 72 98.047 -10.659 -5.515 1.00 0.11 H new ATOM 0 HA ASP A 72 95.222 -10.310 -5.286 1.00 0.11 H new ATOM 0 HB2 ASP A 72 97.171 -12.674 -5.578 1.00 0.12 H new ATOM 0 HB3 ASP A 72 95.445 -12.943 -5.441 1.00 0.12 H new ATOM 1076 N ARG A 73 96.614 -10.876 -2.569 1.00 0.10 N ATOM 1077 CA ARG A 73 96.380 -11.083 -1.148 1.00 0.09 C ATOM 1078 C ARG A 73 95.760 -9.813 -0.551 1.00 0.09 C ATOM 1079 O ARG A 73 95.477 -9.718 0.634 1.00 0.08 O ATOM 1080 CB ARG A 73 97.707 -11.383 -0.449 1.00 0.10 C ATOM 1081 CG ARG A 73 98.283 -12.694 -0.985 1.00 0.11 C ATOM 1082 CD ARG A 73 97.207 -13.781 -0.941 1.00 0.11 C ATOM 1083 NE ARG A 73 97.515 -14.742 0.155 1.00 0.11 N ATOM 1084 CZ ARG A 73 96.598 -15.571 0.573 1.00 0.12 C ATOM 1085 NH1 ARG A 73 95.410 -15.556 0.033 1.00 0.11 N ATOM 1086 NH2 ARG A 73 96.868 -16.414 1.532 1.00 0.12 N ATOM 0 H ARG A 73 97.485 -10.387 -2.775 1.00 0.10 H new ATOM 0 HA ARG A 73 95.701 -11.924 -1.006 1.00 0.09 H new ATOM 0 HB2 ARG A 73 98.411 -10.568 -0.618 1.00 0.10 H new ATOM 0 HB3 ARG A 73 97.555 -11.454 0.628 1.00 0.10 H new ATOM 0 HG2 ARG A 73 98.635 -12.557 -2.007 1.00 0.11 H new ATOM 0 HG3 ARG A 73 99.144 -12.996 -0.389 1.00 0.11 H new ATOM 0 HD2 ARG A 73 96.227 -13.331 -0.780 1.00 0.11 H new ATOM 0 HD3 ARG A 73 97.164 -14.304 -1.896 1.00 0.11 H new ATOM 0 HE ARG A 73 98.443 -14.752 0.579 1.00 0.11 H new ATOM 0 HH11 ARG A 73 95.198 -14.896 -0.716 1.00 0.11 H new ATOM 0 HH12 ARG A 73 94.693 -16.204 0.360 1.00 0.11 H new ATOM 0 HH21 ARG A 73 97.796 -16.425 1.955 1.00 0.12 H new ATOM 0 HH22 ARG A 73 96.151 -17.062 1.858 1.00 0.12 H new ATOM 1100 N VAL A 74 95.485 -8.813 -1.382 1.00 0.09 N ATOM 1101 CA VAL A 74 94.824 -7.579 -0.986 1.00 0.08 C ATOM 1102 C VAL A 74 93.315 -7.725 -1.195 1.00 0.08 C ATOM 1103 O VAL A 74 92.889 -8.036 -2.312 1.00 0.09 O ATOM 1104 CB VAL A 74 95.349 -6.422 -1.836 1.00 0.08 C ATOM 1105 CG1 VAL A 74 94.534 -5.161 -1.542 1.00 0.08 C ATOM 1106 CG2 VAL A 74 96.819 -6.167 -1.495 1.00 0.08 C ATOM 0 H VAL A 74 95.722 -8.841 -2.374 1.00 0.09 H new ATOM 0 HA VAL A 74 95.029 -7.376 0.065 1.00 0.08 H new ATOM 0 HB VAL A 74 95.257 -6.676 -2.892 1.00 0.08 H new ATOM 0 HG11 VAL A 74 94.909 -4.336 -2.148 1.00 0.08 H new ATOM 0 HG12 VAL A 74 93.486 -5.341 -1.782 1.00 0.08 H new ATOM 0 HG13 VAL A 74 94.626 -4.906 -0.486 1.00 0.08 H new ATOM 0 HG21 VAL A 74 97.195 -5.342 -2.100 1.00 0.08 H new ATOM 0 HG22 VAL A 74 96.909 -5.912 -0.439 1.00 0.08 H new ATOM 0 HG23 VAL A 74 97.402 -7.065 -1.703 1.00 0.08 H new ATOM 1116 N LEU A 75 92.520 -7.501 -0.161 1.00 0.08 N ATOM 1117 CA LEU A 75 91.069 -7.657 -0.285 1.00 0.09 C ATOM 1118 C LEU A 75 90.409 -6.326 -0.623 1.00 0.09 C ATOM 1119 O LEU A 75 89.450 -6.231 -1.400 1.00 0.09 O ATOM 1120 CB LEU A 75 90.503 -8.180 1.036 1.00 0.09 C ATOM 1121 CG LEU A 75 91.223 -9.472 1.424 1.00 0.09 C ATOM 1122 CD1 LEU A 75 90.878 -9.836 2.869 1.00 0.09 C ATOM 1123 CD2 LEU A 75 90.778 -10.603 0.495 1.00 0.09 C ATOM 0 H LEU A 75 92.843 -7.214 0.763 1.00 0.08 H new ATOM 0 HA LEU A 75 90.862 -8.363 -1.089 1.00 0.09 H new ATOM 0 HB2 LEU A 75 90.628 -7.432 1.819 1.00 0.09 H new ATOM 0 HB3 LEU A 75 89.433 -8.363 0.938 1.00 0.09 H new ATOM 0 HG LEU A 75 92.300 -9.328 1.333 1.00 0.09 H new ATOM 0 HD11 LEU A 75 91.392 -10.757 3.145 1.00 0.09 H new ATOM 0 HD12 LEU A 75 91.195 -9.031 3.532 1.00 0.09 H new ATOM 0 HD13 LEU A 75 89.801 -9.979 2.961 1.00 0.09 H new ATOM 0 HD21 LEU A 75 91.291 -11.524 0.771 1.00 0.09 H new ATOM 0 HD22 LEU A 75 89.701 -10.746 0.586 1.00 0.09 H new ATOM 0 HD23 LEU A 75 91.024 -10.346 -0.535 1.00 0.09 H new ATOM 1135 N LYS A 76 90.934 -5.252 -0.031 1.00 0.08 N ATOM 1136 CA LYS A 76 90.378 -3.932 -0.287 1.00 0.09 C ATOM 1137 C LYS A 76 91.400 -2.859 0.088 1.00 0.08 C ATOM 1138 O LYS A 76 92.179 -3.040 1.010 1.00 0.07 O ATOM 1139 CB LYS A 76 89.110 -3.742 0.547 1.00 0.09 C ATOM 1140 CG LYS A 76 89.466 -3.781 2.036 1.00 0.09 C ATOM 1141 CD LYS A 76 88.282 -3.268 2.856 1.00 0.09 C ATOM 1142 CE LYS A 76 88.265 -3.966 4.218 1.00 0.09 C ATOM 1143 NZ LYS A 76 87.494 -3.141 5.190 1.00 0.10 N ATOM 0 H LYS A 76 91.725 -5.272 0.613 1.00 0.08 H new ATOM 0 HA LYS A 76 90.135 -3.843 -1.346 1.00 0.09 H new ATOM 0 HB2 LYS A 76 88.639 -2.791 0.300 1.00 0.09 H new ATOM 0 HB3 LYS A 76 88.388 -4.525 0.314 1.00 0.09 H new ATOM 0 HG2 LYS A 76 89.715 -4.799 2.335 1.00 0.09 H new ATOM 0 HG3 LYS A 76 90.347 -3.168 2.227 1.00 0.09 H new ATOM 0 HD2 LYS A 76 88.358 -2.189 2.989 1.00 0.09 H new ATOM 0 HD3 LYS A 76 87.349 -3.459 2.326 1.00 0.09 H new ATOM 0 HE2 LYS A 76 87.815 -4.954 4.126 1.00 0.09 H new ATOM 0 HE3 LYS A 76 89.284 -4.112 4.576 1.00 0.09 H new ATOM 0 HZ1 LYS A 76 87.753 -3.414 6.159 1.00 0.10 H new ATOM 0 HZ2 LYS A 76 87.714 -2.135 5.043 1.00 0.10 H new ATOM 0 HZ3 LYS A 76 86.476 -3.297 5.047 1.00 0.10 H new ATOM 1157 N THR A 77 91.355 -1.779 -0.666 1.00 0.09 N ATOM 1158 CA THR A 77 92.255 -0.652 -0.459 1.00 0.08 C ATOM 1159 C THR A 77 92.029 -0.091 0.932 1.00 0.08 C ATOM 1160 O THR A 77 90.883 0.090 1.354 1.00 0.08 O ATOM 1161 CB THR A 77 91.971 0.430 -1.503 1.00 0.09 C ATOM 1162 OG1 THR A 77 92.350 -0.041 -2.787 1.00 0.10 O ATOM 1163 CG2 THR A 77 92.770 1.690 -1.164 1.00 0.09 C ATOM 0 H THR A 77 90.699 -1.654 -1.437 1.00 0.09 H new ATOM 0 HA THR A 77 93.289 -0.982 -0.560 1.00 0.08 H new ATOM 0 HB THR A 77 90.907 0.665 -1.502 1.00 0.09 H new ATOM 0 HG1 THR A 77 93.203 0.366 -3.046 1.00 0.10 H new ATOM 0 HG21 THR A 77 92.567 2.460 -1.908 1.00 0.09 H new ATOM 0 HG22 THR A 77 92.478 2.052 -0.178 1.00 0.09 H new ATOM 0 HG23 THR A 77 93.835 1.457 -1.164 1.00 0.09 H new ATOM 1171 N GLY A 78 93.133 0.098 1.650 1.00 0.07 N ATOM 1172 CA GLY A 78 93.070 0.571 3.020 1.00 0.07 C ATOM 1173 C GLY A 78 94.422 1.097 3.499 1.00 0.06 C ATOM 1174 O GLY A 78 95.452 0.923 2.845 1.00 0.06 O ATOM 0 H GLY A 78 94.077 -0.070 1.302 1.00 0.07 H new ATOM 0 HA2 GLY A 78 92.324 1.362 3.098 1.00 0.07 H new ATOM 0 HA3 GLY A 78 92.744 -0.241 3.671 1.00 0.07 H new ATOM 1178 N VAL A 79 94.372 1.872 4.569 1.00 0.06 N ATOM 1179 CA VAL A 79 95.519 2.488 5.194 1.00 0.05 C ATOM 1180 C VAL A 79 95.417 2.354 6.714 1.00 0.05 C ATOM 1181 O VAL A 79 94.321 2.349 7.279 1.00 0.06 O ATOM 1182 CB VAL A 79 95.572 3.969 4.814 1.00 0.06 C ATOM 1183 CG1 VAL A 79 95.667 4.107 3.294 1.00 0.06 C ATOM 1184 CG2 VAL A 79 94.300 4.665 5.308 1.00 0.07 C ATOM 0 H VAL A 79 93.495 2.095 5.041 1.00 0.06 H new ATOM 0 HA VAL A 79 96.426 1.990 4.851 1.00 0.05 H new ATOM 0 HB VAL A 79 96.446 4.430 5.274 1.00 0.06 H new ATOM 0 HG11 VAL A 79 95.705 5.163 3.026 1.00 0.06 H new ATOM 0 HG12 VAL A 79 96.570 3.610 2.939 1.00 0.06 H new ATOM 0 HG13 VAL A 79 94.794 3.646 2.832 1.00 0.06 H new ATOM 0 HG21 VAL A 79 94.335 5.721 5.039 1.00 0.07 H new ATOM 0 HG22 VAL A 79 93.429 4.201 4.846 1.00 0.07 H new ATOM 0 HG23 VAL A 79 94.230 4.569 6.392 1.00 0.07 H new ATOM 1194 N VAL A 80 96.565 2.278 7.378 1.00 0.04 N ATOM 1195 CA VAL A 80 96.593 2.298 8.844 1.00 0.05 C ATOM 1196 C VAL A 80 97.601 3.372 9.231 1.00 0.04 C ATOM 1197 O VAL A 80 98.782 3.328 8.861 1.00 0.03 O ATOM 1198 CB VAL A 80 97.043 0.937 9.379 1.00 0.05 C ATOM 1199 CG1 VAL A 80 95.956 -0.105 9.108 1.00 0.05 C ATOM 1200 CG2 VAL A 80 98.335 0.516 8.676 1.00 0.04 C ATOM 0 H VAL A 80 97.481 2.203 6.935 1.00 0.04 H new ATOM 0 HA VAL A 80 95.607 2.506 9.261 1.00 0.05 H new ATOM 0 HB VAL A 80 97.217 1.010 10.453 1.00 0.05 H new ATOM 0 HG11 VAL A 80 96.278 -1.074 9.490 1.00 0.05 H new ATOM 0 HG12 VAL A 80 95.034 0.193 9.607 1.00 0.05 H new ATOM 0 HG13 VAL A 80 95.781 -0.178 8.035 1.00 0.05 H new ATOM 0 HG21 VAL A 80 98.657 -0.454 9.056 1.00 0.04 H new ATOM 0 HG22 VAL A 80 98.159 0.445 7.603 1.00 0.04 H new ATOM 0 HG23 VAL A 80 99.111 1.257 8.868 1.00 0.04 H new ATOM 1210 N PHE A 81 97.092 4.405 9.896 1.00 0.05 N ATOM 1211 CA PHE A 81 97.882 5.552 10.309 1.00 0.05 C ATOM 1212 C PHE A 81 98.495 5.271 11.681 1.00 0.05 C ATOM 1213 O PHE A 81 97.730 5.121 12.639 1.00 0.06 O ATOM 1214 CB PHE A 81 96.987 6.789 10.392 1.00 0.06 C ATOM 1215 CG PHE A 81 97.819 7.990 10.771 1.00 0.06 C ATOM 1216 CD1 PHE A 81 98.031 8.297 12.120 1.00 0.06 C ATOM 1217 CD2 PHE A 81 98.380 8.795 9.772 1.00 0.05 C ATOM 1218 CE1 PHE A 81 98.802 9.411 12.472 1.00 0.06 C ATOM 1219 CE2 PHE A 81 99.153 9.909 10.125 1.00 0.05 C ATOM 1220 CZ PHE A 81 99.364 10.217 11.474 1.00 0.06 C ATOM 0 H PHE A 81 96.110 4.466 10.164 1.00 0.05 H new ATOM 0 HA PHE A 81 98.675 5.731 9.582 1.00 0.05 H new ATOM 0 HB2 PHE A 81 96.497 6.961 9.434 1.00 0.06 H new ATOM 0 HB3 PHE A 81 96.199 6.632 11.129 1.00 0.06 H new ATOM 0 HD1 PHE A 81 97.600 7.674 12.890 1.00 0.06 H new ATOM 0 HD2 PHE A 81 98.217 8.558 8.731 1.00 0.05 H new ATOM 0 HE1 PHE A 81 98.963 9.649 13.513 1.00 0.06 H new ATOM 0 HE2 PHE A 81 99.586 10.531 9.356 1.00 0.05 H new ATOM 0 HZ PHE A 81 99.960 11.076 11.745 1.00 0.06 H new ATOM 1230 N CYS A 82 99.822 5.170 11.722 1.00 0.04 N ATOM 1231 CA CYS A 82 100.492 4.837 12.980 1.00 0.05 C ATOM 1232 C CYS A 82 101.450 5.943 13.391 1.00 0.05 C ATOM 1233 O CYS A 82 102.389 6.336 12.685 1.00 0.04 O ATOM 1234 CB CYS A 82 101.271 3.533 12.807 1.00 0.05 C ATOM 1235 SG CYS A 82 100.173 2.259 12.141 1.00 0.05 S ATOM 0 H CYS A 82 100.441 5.309 10.924 1.00 0.04 H new ATOM 0 HA CYS A 82 99.737 4.724 13.758 1.00 0.05 H new ATOM 0 HB2 CYS A 82 102.116 3.688 12.136 1.00 0.05 H new ATOM 0 HB3 CYS A 82 101.680 3.211 13.765 1.00 0.05 H new ATOM 0 HG CYS A 82 100.099 1.269 12.980 1.00 0.05 H new ATOM 1241 N GLN A 83 101.226 6.492 14.589 1.00 0.06 N ATOM 1242 CA GLN A 83 102.039 7.589 15.094 1.00 0.06 C ATOM 1243 C GLN A 83 103.102 7.135 16.082 1.00 0.06 C ATOM 1244 O GLN A 83 102.818 6.480 17.079 1.00 0.08 O ATOM 1245 CB GLN A 83 101.128 8.607 15.781 1.00 0.07 C ATOM 1246 CG GLN A 83 101.940 9.847 16.159 1.00 0.07 C ATOM 1247 CD GLN A 83 101.261 10.563 17.330 1.00 0.08 C ATOM 1248 OE1 GLN A 83 101.132 10.010 18.403 1.00 0.09 O ATOM 1249 NE2 GLN A 83 100.822 11.780 17.166 1.00 0.08 N ATOM 0 H GLN A 83 100.486 6.190 15.223 1.00 0.06 H new ATOM 0 HA GLN A 83 102.556 8.028 14.240 1.00 0.06 H new ATOM 0 HB2 GLN A 83 100.309 8.884 15.117 1.00 0.07 H new ATOM 0 HB3 GLN A 83 100.681 8.167 16.672 1.00 0.07 H new ATOM 0 HG2 GLN A 83 102.955 9.561 16.433 1.00 0.07 H new ATOM 0 HG3 GLN A 83 102.018 10.518 15.304 1.00 0.07 H new ATOM 0 HE21 GLN A 83 100.931 12.244 16.264 1.00 0.08 H new ATOM 0 HE22 GLN A 83 100.370 12.268 17.939 1.00 0.08 H new ATOM 1258 N TYR A 84 104.352 7.495 15.812 1.00 0.06 N ATOM 1259 CA TYR A 84 105.487 7.163 16.674 1.00 0.07 C ATOM 1260 C TYR A 84 106.176 8.464 17.052 1.00 0.07 C ATOM 1261 O TYR A 84 107.120 8.880 16.387 1.00 0.06 O ATOM 1262 CB TYR A 84 106.465 6.259 15.920 1.00 0.07 C ATOM 1263 CG TYR A 84 105.820 4.915 15.674 1.00 0.07 C ATOM 1264 CD1 TYR A 84 105.055 4.706 14.521 1.00 0.06 C ATOM 1265 CD2 TYR A 84 105.992 3.878 16.598 1.00 0.08 C ATOM 1266 CE1 TYR A 84 104.457 3.462 14.293 1.00 0.06 C ATOM 1267 CE2 TYR A 84 105.395 2.631 16.370 1.00 0.08 C ATOM 1268 CZ TYR A 84 104.627 2.423 15.217 1.00 0.07 C ATOM 1269 OH TYR A 84 104.040 1.196 14.992 1.00 0.08 O ATOM 0 H TYR A 84 104.611 8.030 14.983 1.00 0.06 H new ATOM 0 HA TYR A 84 105.148 6.636 17.566 1.00 0.07 H new ATOM 0 HB2 TYR A 84 106.745 6.719 14.972 1.00 0.07 H new ATOM 0 HB3 TYR A 84 107.381 6.135 16.497 1.00 0.07 H new ATOM 0 HD1 TYR A 84 104.926 5.506 13.807 1.00 0.06 H new ATOM 0 HD2 TYR A 84 106.585 4.039 17.486 1.00 0.08 H new ATOM 0 HE1 TYR A 84 103.864 3.303 13.404 1.00 0.06 H new ATOM 0 HE2 TYR A 84 105.527 1.831 17.083 1.00 0.08 H new ATOM 0 HH TYR A 84 104.259 0.589 15.729 1.00 0.08 H new ATOM 1279 N PRO A 85 105.713 9.116 18.115 1.00 0.08 N ATOM 1280 CA PRO A 85 106.235 10.407 18.531 1.00 0.08 C ATOM 1281 C PRO A 85 107.727 10.417 18.766 1.00 0.08 C ATOM 1282 O PRO A 85 108.394 11.398 18.422 1.00 0.08 O ATOM 1283 CB PRO A 85 105.501 10.718 19.840 1.00 0.09 C ATOM 1284 CG PRO A 85 104.289 9.852 19.841 1.00 0.09 C ATOM 1285 CD PRO A 85 104.637 8.635 18.993 1.00 0.08 C ATOM 0 HA PRO A 85 106.072 11.144 17.745 1.00 0.08 H new ATOM 0 HB2 PRO A 85 106.133 10.507 20.703 1.00 0.09 H new ATOM 0 HB3 PRO A 85 105.229 11.772 19.895 1.00 0.09 H new ATOM 0 HG2 PRO A 85 104.022 9.556 20.856 1.00 0.09 H new ATOM 0 HG3 PRO A 85 103.431 10.382 19.428 1.00 0.09 H new ATOM 0 HD2 PRO A 85 104.967 7.799 19.610 1.00 0.08 H new ATOM 0 HD3 PRO A 85 103.778 8.288 18.419 1.00 0.08 H new ATOM 1293 N GLU A 86 108.285 9.333 19.283 1.00 0.09 N ATOM 1294 CA GLU A 86 109.709 9.192 19.532 1.00 0.09 C ATOM 1295 C GLU A 86 110.493 8.821 18.278 1.00 0.09 C ATOM 1296 O GLU A 86 111.727 8.844 18.264 1.00 0.09 O ATOM 1297 CB GLU A 86 109.925 8.111 20.589 1.00 0.10 C ATOM 1298 CG GLU A 86 108.932 8.311 21.737 1.00 0.11 C ATOM 1299 CD GLU A 86 109.400 7.526 22.964 1.00 0.12 C ATOM 1300 OE1 GLU A 86 110.451 6.913 22.883 1.00 0.13 O ATOM 1301 OE2 GLU A 86 108.702 7.556 23.962 1.00 0.13 O ATOM 0 H GLU A 86 107.746 8.508 19.547 1.00 0.09 H new ATOM 0 HA GLU A 86 110.077 10.159 19.874 1.00 0.09 H new ATOM 0 HB2 GLU A 86 109.791 7.124 20.147 1.00 0.10 H new ATOM 0 HB3 GLU A 86 110.947 8.156 20.966 1.00 0.10 H new ATOM 0 HG2 GLU A 86 108.850 9.370 21.980 1.00 0.11 H new ATOM 0 HG3 GLU A 86 107.940 7.976 21.435 1.00 0.11 H new ATOM 1308 N GLY A 87 109.783 8.438 17.218 1.00 0.08 N ATOM 1309 CA GLY A 87 110.416 8.162 15.941 1.00 0.07 C ATOM 1310 C GLY A 87 110.897 6.734 15.803 1.00 0.08 C ATOM 1311 O GLY A 87 111.136 6.007 16.769 1.00 0.09 O ATOM 0 H GLY A 87 108.771 8.313 17.224 1.00 0.08 H new ATOM 0 HA2 GLY A 87 109.709 8.378 15.140 1.00 0.07 H new ATOM 0 HA3 GLY A 87 111.262 8.836 15.810 1.00 0.07 H new ATOM 1315 N VAL A 88 110.979 6.300 14.548 1.00 0.08 N ATOM 1316 CA VAL A 88 111.451 4.969 14.198 1.00 0.08 C ATOM 1317 C VAL A 88 112.367 5.138 12.980 1.00 0.08 C ATOM 1318 O VAL A 88 111.919 5.690 11.977 1.00 0.08 O ATOM 1319 CB VAL A 88 110.266 4.071 13.841 1.00 0.08 C ATOM 1320 CG1 VAL A 88 110.770 2.663 13.515 1.00 0.09 C ATOM 1321 CG2 VAL A 88 109.303 4.004 15.027 1.00 0.08 C ATOM 0 H VAL A 88 110.717 6.868 13.742 1.00 0.08 H new ATOM 0 HA VAL A 88 111.982 4.506 15.030 1.00 0.08 H new ATOM 0 HB VAL A 88 109.749 4.481 12.974 1.00 0.08 H new ATOM 0 HG11 VAL A 88 109.925 2.024 13.261 1.00 0.09 H new ATOM 0 HG12 VAL A 88 111.457 2.709 12.670 1.00 0.09 H new ATOM 0 HG13 VAL A 88 111.288 2.252 14.382 1.00 0.09 H new ATOM 0 HG21 VAL A 88 108.458 3.364 14.774 1.00 0.08 H new ATOM 0 HG22 VAL A 88 109.821 3.594 15.894 1.00 0.08 H new ATOM 0 HG23 VAL A 88 108.942 5.006 15.260 1.00 0.08 H new ATOM 1331 N ARG A 89 113.624 4.718 13.101 1.00 0.09 N ATOM 1332 CA ARG A 89 114.542 4.885 11.962 1.00 0.10 C ATOM 1333 C ARG A 89 113.984 4.083 10.795 1.00 0.10 C ATOM 1334 O ARG A 89 113.741 2.895 10.980 1.00 0.10 O ATOM 1335 CB ARG A 89 115.930 4.360 12.334 1.00 0.11 C ATOM 1336 CG ARG A 89 116.713 4.035 11.060 1.00 0.12 C ATOM 1337 CD ARG A 89 117.582 2.800 11.295 1.00 0.13 C ATOM 1338 NE ARG A 89 118.030 2.252 9.984 1.00 0.13 N ATOM 1339 CZ ARG A 89 119.010 1.391 9.938 1.00 0.15 C ATOM 1340 NH1 ARG A 89 119.596 1.009 11.040 1.00 0.15 N ATOM 1341 NH2 ARG A 89 119.404 0.911 8.789 1.00 0.15 N ATOM 0 H ARG A 89 114.023 4.279 13.931 1.00 0.09 H new ATOM 0 HA ARG A 89 114.631 5.938 11.694 1.00 0.10 H new ATOM 0 HB2 ARG A 89 116.466 5.105 12.923 1.00 0.11 H new ATOM 0 HB3 ARG A 89 115.839 3.469 12.954 1.00 0.11 H new ATOM 0 HG2 ARG A 89 116.025 3.856 10.234 1.00 0.12 H new ATOM 0 HG3 ARG A 89 117.337 4.883 10.778 1.00 0.12 H new ATOM 0 HD2 ARG A 89 118.446 3.061 11.907 1.00 0.13 H new ATOM 0 HD3 ARG A 89 117.019 2.045 11.844 1.00 0.13 H new ATOM 0 HE ARG A 89 117.571 2.549 9.123 1.00 0.13 H new ATOM 0 HH11 ARG A 89 119.288 1.383 11.938 1.00 0.15 H new ATOM 0 HH12 ARG A 89 120.362 0.336 11.004 1.00 0.15 H new ATOM 0 HH21 ARG A 89 118.946 1.209 7.928 1.00 0.15 H new ATOM 0 HH22 ARG A 89 120.170 0.238 8.753 1.00 0.15 H new ATOM 1355 N PHE A 90 113.758 4.702 9.641 1.00 0.09 N ATOM 1356 CA PHE A 90 113.168 3.979 8.526 1.00 0.09 C ATOM 1357 C PHE A 90 113.946 4.094 7.227 1.00 0.10 C ATOM 1358 O PHE A 90 113.892 3.182 6.395 1.00 0.10 O ATOM 1359 CB PHE A 90 111.750 4.501 8.296 1.00 0.08 C ATOM 1360 CG PHE A 90 110.753 3.405 8.589 1.00 0.07 C ATOM 1361 CD1 PHE A 90 110.391 2.504 7.579 1.00 0.08 C ATOM 1362 CD2 PHE A 90 110.193 3.290 9.863 1.00 0.07 C ATOM 1363 CE1 PHE A 90 109.467 1.487 7.848 1.00 0.07 C ATOM 1364 CE2 PHE A 90 109.268 2.273 10.133 1.00 0.07 C ATOM 1365 CZ PHE A 90 108.906 1.371 9.126 1.00 0.07 C ATOM 0 H PHE A 90 113.970 5.683 9.457 1.00 0.09 H new ATOM 0 HA PHE A 90 113.179 2.924 8.802 1.00 0.09 H new ATOM 0 HB2 PHE A 90 111.560 5.361 8.938 1.00 0.08 H new ATOM 0 HB3 PHE A 90 111.639 4.841 7.266 1.00 0.08 H new ATOM 0 HD1 PHE A 90 110.824 2.594 6.594 1.00 0.08 H new ATOM 0 HD2 PHE A 90 110.473 3.985 10.641 1.00 0.07 H new ATOM 0 HE1 PHE A 90 109.187 0.792 7.070 1.00 0.07 H new ATOM 0 HE2 PHE A 90 108.834 2.185 11.118 1.00 0.07 H new ATOM 0 HZ PHE A 90 108.194 0.586 9.334 1.00 0.07 H new ATOM 1375 N GLY A 91 114.597 5.231 7.020 1.00 0.10 N ATOM 1376 CA GLY A 91 115.328 5.446 5.782 1.00 0.11 C ATOM 1377 C GLY A 91 116.728 4.855 5.799 1.00 0.12 C ATOM 1378 O GLY A 91 117.161 4.139 6.692 1.00 0.13 O ATOM 0 H GLY A 91 114.633 6.006 7.682 1.00 0.10 H new ATOM 0 HA2 GLY A 91 114.767 5.009 4.956 1.00 0.11 H new ATOM 0 HA3 GLY A 91 115.396 6.517 5.590 1.00 0.11 H new ATOM 1382 N GLU A 92 117.467 5.208 4.758 1.00 0.13 N ATOM 1383 CA GLU A 92 118.840 4.776 4.532 1.00 0.14 C ATOM 1384 C GLU A 92 119.784 5.179 5.656 1.00 0.15 C ATOM 1385 O GLU A 92 120.543 4.350 6.160 1.00 0.15 O ATOM 1386 CB GLU A 92 119.372 5.363 3.219 1.00 0.15 C ATOM 1387 CG GLU A 92 118.576 4.806 2.034 1.00 0.15 C ATOM 1388 CD GLU A 92 119.455 4.758 0.786 1.00 1.22 C ATOM 1389 OE1 GLU A 92 120.457 5.455 0.762 1.00 1.98 O ATOM 1390 OE2 GLU A 92 119.113 4.027 -0.129 1.00 1.99 O ATOM 0 H GLU A 92 117.117 5.823 4.023 1.00 0.13 H new ATOM 0 HA GLU A 92 118.811 3.687 4.489 1.00 0.14 H new ATOM 0 HB2 GLU A 92 119.295 6.450 3.240 1.00 0.15 H new ATOM 0 HB3 GLU A 92 120.428 5.120 3.104 1.00 0.15 H new ATOM 0 HG2 GLU A 92 118.211 3.806 2.269 1.00 0.15 H new ATOM 0 HG3 GLU A 92 117.701 5.430 1.848 1.00 0.15 H new ATOM 1397 N GLU A 93 119.749 6.446 6.059 1.00 0.14 N ATOM 1398 CA GLU A 93 120.607 6.959 7.113 1.00 0.14 C ATOM 1399 C GLU A 93 119.986 6.889 8.499 1.00 0.14 C ATOM 1400 O GLU A 93 118.764 6.854 8.626 1.00 0.13 O ATOM 1401 CB GLU A 93 120.976 8.413 6.810 1.00 0.15 C ATOM 1402 CG GLU A 93 121.845 8.462 5.549 1.00 0.16 C ATOM 1403 CD GLU A 93 122.460 9.849 5.392 1.00 1.21 C ATOM 1404 OE1 GLU A 93 122.332 10.637 6.313 1.00 1.99 O ATOM 1405 OE2 GLU A 93 123.066 10.095 4.361 1.00 1.96 O ATOM 0 H GLU A 93 119.122 7.145 5.660 1.00 0.14 H new ATOM 0 HA GLU A 93 121.489 6.318 7.127 1.00 0.14 H new ATOM 0 HB2 GLU A 93 120.073 9.007 6.667 1.00 0.15 H new ATOM 0 HB3 GLU A 93 121.513 8.847 7.653 1.00 0.15 H new ATOM 0 HG2 GLU A 93 122.633 7.711 5.611 1.00 0.16 H new ATOM 0 HG3 GLU A 93 121.243 8.221 4.673 1.00 0.16 H new ATOM 1412 N GLU A 94 120.798 7.090 9.537 1.00 0.14 N ATOM 1413 CA GLU A 94 120.309 7.130 10.911 1.00 0.13 C ATOM 1414 C GLU A 94 119.448 8.357 11.175 1.00 0.12 C ATOM 1415 O GLU A 94 118.595 8.370 12.059 1.00 0.12 O ATOM 1416 CB GLU A 94 121.504 7.144 11.866 1.00 0.14 C ATOM 1417 CG GLU A 94 122.261 5.819 11.755 1.00 0.15 C ATOM 1418 CD GLU A 94 121.339 4.666 12.159 1.00 0.15 C ATOM 1419 OE1 GLU A 94 120.689 4.787 13.185 1.00 0.15 O ATOM 1420 OE2 GLU A 94 121.298 3.685 11.436 1.00 0.15 O ATOM 0 H GLU A 94 121.805 7.228 9.448 1.00 0.14 H new ATOM 0 HA GLU A 94 119.692 6.246 11.073 1.00 0.13 H new ATOM 0 HB2 GLU A 94 122.167 7.975 11.624 1.00 0.14 H new ATOM 0 HB3 GLU A 94 121.163 7.296 12.890 1.00 0.14 H new ATOM 0 HG2 GLU A 94 122.614 5.675 10.734 1.00 0.15 H new ATOM 0 HG3 GLU A 94 123.141 5.836 12.398 1.00 0.15 H new ATOM 1427 N ASP A 95 119.621 9.409 10.393 1.00 0.12 N ATOM 1428 CA ASP A 95 118.877 10.653 10.428 1.00 0.12 C ATOM 1429 C ASP A 95 117.485 10.507 9.820 1.00 0.11 C ATOM 1430 O ASP A 95 116.575 11.302 10.074 1.00 0.10 O ATOM 1431 CB ASP A 95 119.651 11.719 9.649 1.00 0.12 C ATOM 1432 CG ASP A 95 118.869 13.034 9.667 1.00 0.12 C ATOM 1433 OD1 ASP A 95 117.922 13.127 10.431 1.00 0.11 O ATOM 1434 OD2 ASP A 95 119.229 13.924 8.916 1.00 0.12 O ATOM 0 H ASP A 95 120.336 9.415 9.666 1.00 0.12 H new ATOM 0 HA ASP A 95 118.757 10.941 11.472 1.00 0.12 H new ATOM 0 HB2 ASP A 95 120.637 11.864 10.091 1.00 0.12 H new ATOM 0 HB3 ASP A 95 119.808 11.391 8.621 1.00 0.12 H new ATOM 1439 N ASP A 96 117.281 9.475 9.005 1.00 0.11 N ATOM 1440 CA ASP A 96 115.981 9.244 8.367 1.00 0.10 C ATOM 1441 C ASP A 96 115.007 8.564 9.323 1.00 0.09 C ATOM 1442 O ASP A 96 114.766 7.357 9.274 1.00 0.09 O ATOM 1443 CB ASP A 96 116.179 8.357 7.136 1.00 0.11 C ATOM 1444 CG ASP A 96 117.048 9.088 6.113 1.00 0.12 C ATOM 1445 OD1 ASP A 96 116.921 10.299 6.014 1.00 0.12 O ATOM 1446 OD2 ASP A 96 117.826 8.429 5.444 1.00 0.13 O ATOM 0 H ASP A 96 117.995 8.786 8.769 1.00 0.11 H new ATOM 0 HA ASP A 96 115.562 10.209 8.081 1.00 0.10 H new ATOM 0 HB2 ASP A 96 116.651 7.418 7.424 1.00 0.11 H new ATOM 0 HB3 ASP A 96 115.214 8.107 6.696 1.00 0.11 H new ATOM 1451 N ILE A 97 114.412 9.352 10.209 1.00 0.09 N ATOM 1452 CA ILE A 97 113.482 8.905 11.220 1.00 0.08 C ATOM 1453 C ILE A 97 112.039 9.236 10.839 1.00 0.07 C ATOM 1454 O ILE A 97 111.775 10.366 10.435 1.00 0.07 O ATOM 1455 CB ILE A 97 113.820 9.586 12.549 1.00 0.08 C ATOM 1456 CG1 ILE A 97 115.249 9.224 12.957 1.00 0.09 C ATOM 1457 CG2 ILE A 97 112.847 9.107 13.627 1.00 0.07 C ATOM 1458 CD1 ILE A 97 115.339 7.722 13.231 1.00 0.10 C ATOM 0 H ILE A 97 114.575 10.358 10.238 1.00 0.09 H new ATOM 0 HA ILE A 97 113.571 7.822 11.310 1.00 0.08 H new ATOM 0 HB ILE A 97 113.736 10.667 12.436 1.00 0.08 H new ATOM 0 HG12 ILE A 97 115.945 9.502 12.166 1.00 0.09 H new ATOM 0 HG13 ILE A 97 115.537 9.784 13.847 1.00 0.09 H new ATOM 0 HG21 ILE A 97 113.086 9.591 14.574 1.00 0.07 H new ATOM 0 HG22 ILE A 97 111.828 9.362 13.336 1.00 0.07 H new ATOM 0 HG23 ILE A 97 112.932 8.026 13.740 1.00 0.07 H new ATOM 0 HD11 ILE A 97 116.358 7.466 13.522 1.00 0.10 H new ATOM 0 HD12 ILE A 97 114.654 7.457 14.037 1.00 0.10 H new ATOM 0 HD13 ILE A 97 115.069 7.171 12.330 1.00 0.10 H new ATOM 1470 N ALA A 98 111.149 8.266 10.995 1.00 0.06 N ATOM 1471 CA ALA A 98 109.743 8.497 10.711 1.00 0.05 C ATOM 1472 C ALA A 98 108.940 8.560 12.007 1.00 0.05 C ATOM 1473 O ALA A 98 109.115 7.698 12.865 1.00 0.05 O ATOM 1474 CB ALA A 98 109.208 7.363 9.836 1.00 0.05 C ATOM 0 H ALA A 98 111.373 7.323 11.313 1.00 0.06 H new ATOM 0 HA ALA A 98 109.642 9.448 10.188 1.00 0.05 H new ATOM 0 HB1 ALA A 98 108.153 7.535 9.622 1.00 0.05 H new ATOM 0 HB2 ALA A 98 109.767 7.330 8.901 1.00 0.05 H new ATOM 0 HB3 ALA A 98 109.322 6.414 10.360 1.00 0.05 H new ATOM 1480 N ARG A 99 108.096 9.579 12.133 1.00 0.04 N ATOM 1481 CA ARG A 99 107.191 9.667 13.275 1.00 0.04 C ATOM 1482 C ARG A 99 105.781 9.277 12.816 1.00 0.04 C ATOM 1483 O ARG A 99 104.899 8.944 13.608 1.00 0.04 O ATOM 1484 CB ARG A 99 107.195 11.100 13.810 1.00 0.05 C ATOM 1485 CG ARG A 99 108.556 11.399 14.443 1.00 0.05 C ATOM 1486 CD ARG A 99 108.637 12.879 14.825 1.00 0.06 C ATOM 1487 NE ARG A 99 108.742 13.693 13.582 1.00 0.05 N ATOM 1488 CZ ARG A 99 108.532 14.981 13.618 1.00 0.06 C ATOM 1489 NH1 ARG A 99 108.181 15.560 14.733 1.00 0.06 N ATOM 1490 NH2 ARG A 99 108.664 15.687 12.530 1.00 0.06 N ATOM 0 H ARG A 99 108.019 10.348 11.467 1.00 0.04 H new ATOM 0 HA ARG A 99 107.513 8.993 14.068 1.00 0.04 H new ATOM 0 HB2 ARG A 99 106.995 11.803 13.001 1.00 0.05 H new ATOM 0 HB3 ARG A 99 106.402 11.228 14.547 1.00 0.05 H new ATOM 0 HG2 ARG A 99 108.701 10.778 15.327 1.00 0.05 H new ATOM 0 HG3 ARG A 99 109.355 11.150 13.744 1.00 0.05 H new ATOM 0 HD2 ARG A 99 107.754 13.171 15.393 1.00 0.06 H new ATOM 0 HD3 ARG A 99 109.501 13.056 15.466 1.00 0.06 H new ATOM 0 HE ARG A 99 108.979 13.242 12.698 1.00 0.05 H new ATOM 0 HH11 ARG A 99 108.069 15.006 15.582 1.00 0.06 H new ATOM 0 HH12 ARG A 99 108.018 16.567 14.756 1.00 0.06 H new ATOM 0 HH21 ARG A 99 108.930 15.233 11.656 1.00 0.06 H new ATOM 0 HH22 ARG A 99 108.501 16.694 12.552 1.00 0.06 H new ATOM 1504 N LEU A 100 105.604 9.293 11.492 1.00 0.03 N ATOM 1505 CA LEU A 100 104.345 8.865 10.883 1.00 0.03 C ATOM 1506 C LEU A 100 104.640 7.630 10.008 1.00 0.03 C ATOM 1507 O LEU A 100 105.400 7.748 9.055 1.00 0.03 O ATOM 1508 CB LEU A 100 103.781 9.992 10.014 1.00 0.03 C ATOM 1509 CG LEU A 100 103.513 11.221 10.885 1.00 0.04 C ATOM 1510 CD1 LEU A 100 102.865 12.316 10.035 1.00 0.05 C ATOM 1511 CD2 LEU A 100 102.569 10.839 12.027 1.00 0.04 C ATOM 0 H LEU A 100 106.314 9.596 10.825 1.00 0.03 H new ATOM 0 HA LEU A 100 103.613 8.621 11.653 1.00 0.03 H new ATOM 0 HB2 LEU A 100 104.486 10.242 9.221 1.00 0.03 H new ATOM 0 HB3 LEU A 100 102.859 9.667 9.531 1.00 0.03 H new ATOM 0 HG LEU A 100 104.453 11.588 11.296 1.00 0.04 H new ATOM 0 HD11 LEU A 100 102.674 13.192 10.655 1.00 0.05 H new ATOM 0 HD12 LEU A 100 103.535 12.588 9.219 1.00 0.05 H new ATOM 0 HD13 LEU A 100 101.924 11.949 9.625 1.00 0.05 H new ATOM 0 HD21 LEU A 100 102.377 11.714 12.648 1.00 0.04 H new ATOM 0 HD22 LEU A 100 101.629 10.473 11.615 1.00 0.04 H new ATOM 0 HD23 LEU A 100 103.028 10.057 12.632 1.00 0.04 H new ATOM 1523 N VAL A 101 104.107 6.495 10.390 1.00 0.02 N ATOM 1524 CA VAL A 101 104.263 5.233 9.688 1.00 0.02 C ATOM 1525 C VAL A 101 102.877 4.838 9.189 1.00 0.02 C ATOM 1526 O VAL A 101 101.996 4.488 9.973 1.00 0.02 O ATOM 1527 CB VAL A 101 104.800 4.166 10.644 1.00 0.03 C ATOM 1528 CG1 VAL A 101 104.897 2.826 9.911 1.00 0.04 C ATOM 1529 CG2 VAL A 101 106.188 4.577 11.139 1.00 0.04 C ATOM 0 H VAL A 101 103.531 6.416 11.228 1.00 0.02 H new ATOM 0 HA VAL A 101 104.967 5.326 8.861 1.00 0.02 H new ATOM 0 HB VAL A 101 104.125 4.067 11.494 1.00 0.03 H new ATOM 0 HG11 VAL A 101 105.280 2.066 10.592 1.00 0.04 H new ATOM 0 HG12 VAL A 101 103.909 2.532 9.557 1.00 0.04 H new ATOM 0 HG13 VAL A 101 105.572 2.924 9.061 1.00 0.04 H new ATOM 0 HG21 VAL A 101 106.571 3.817 11.820 1.00 0.04 H new ATOM 0 HG22 VAL A 101 106.863 4.676 10.289 1.00 0.04 H new ATOM 0 HG23 VAL A 101 106.120 5.531 11.661 1.00 0.04 H new ATOM 1539 N ILE A 102 102.664 5.029 7.887 1.00 0.02 N ATOM 1540 CA ILE A 102 101.331 4.768 7.325 1.00 0.02 C ATOM 1541 C ILE A 102 101.343 3.523 6.444 1.00 0.02 C ATOM 1542 O ILE A 102 101.847 3.539 5.320 1.00 0.03 O ATOM 1543 CB ILE A 102 100.892 5.971 6.489 1.00 0.03 C ATOM 1544 CG1 ILE A 102 100.877 7.224 7.370 1.00 0.03 C ATOM 1545 CG2 ILE A 102 99.489 5.722 5.932 1.00 0.04 C ATOM 1546 CD1 ILE A 102 100.717 8.463 6.490 1.00 0.04 C ATOM 0 H ILE A 102 103.365 5.351 7.220 1.00 0.02 H new ATOM 0 HA ILE A 102 100.635 4.604 8.148 1.00 0.02 H new ATOM 0 HB ILE A 102 101.589 6.114 5.663 1.00 0.03 H new ATOM 0 HG12 ILE A 102 100.059 7.167 8.088 1.00 0.03 H new ATOM 0 HG13 ILE A 102 101.801 7.289 7.944 1.00 0.03 H new ATOM 0 HG21 ILE A 102 99.177 6.580 5.336 1.00 0.04 H new ATOM 0 HG22 ILE A 102 99.499 4.830 5.306 1.00 0.04 H new ATOM 0 HG23 ILE A 102 98.790 5.579 6.756 1.00 0.04 H new ATOM 0 HD11 ILE A 102 100.706 9.355 7.116 1.00 0.04 H new ATOM 0 HD12 ILE A 102 101.550 8.522 5.789 1.00 0.04 H new ATOM 0 HD13 ILE A 102 99.781 8.397 5.936 1.00 0.04 H new ATOM 1558 N GLY A 103 100.829 2.433 6.992 1.00 0.02 N ATOM 1559 CA GLY A 103 100.756 1.142 6.351 1.00 0.03 C ATOM 1560 C GLY A 103 99.658 1.117 5.301 1.00 0.03 C ATOM 1561 O GLY A 103 98.531 1.586 5.526 1.00 0.03 O ATOM 0 H GLY A 103 100.437 2.430 7.934 1.00 0.02 H new ATOM 0 HA2 GLY A 103 101.714 0.908 5.886 1.00 0.03 H new ATOM 0 HA3 GLY A 103 100.567 0.371 7.098 1.00 0.03 H new ATOM 1565 N ILE A 104 100.032 0.729 4.051 1.00 0.04 N ATOM 1566 CA ILE A 104 99.016 0.761 3.005 1.00 0.04 C ATOM 1567 C ILE A 104 98.877 -0.558 2.258 1.00 0.05 C ATOM 1568 O ILE A 104 99.772 -1.379 2.080 1.00 0.05 O ATOM 1569 CB ILE A 104 99.377 1.879 2.023 1.00 0.05 C ATOM 1570 CG1 ILE A 104 100.682 1.533 1.315 1.00 0.06 C ATOM 1571 CG2 ILE A 104 99.583 3.179 2.803 1.00 0.05 C ATOM 1572 CD1 ILE A 104 100.997 2.602 0.269 1.00 0.07 C ATOM 0 H ILE A 104 100.961 0.415 3.772 1.00 0.04 H new ATOM 0 HA ILE A 104 98.052 0.942 3.481 1.00 0.04 H new ATOM 0 HB ILE A 104 98.575 1.993 1.294 1.00 0.05 H new ATOM 0 HG12 ILE A 104 101.494 1.468 2.039 1.00 0.06 H new ATOM 0 HG13 ILE A 104 100.601 0.556 0.838 1.00 0.06 H new ATOM 0 HG21 ILE A 104 99.841 3.981 2.112 1.00 0.05 H new ATOM 0 HG22 ILE A 104 98.665 3.436 3.331 1.00 0.05 H new ATOM 0 HG23 ILE A 104 100.391 3.047 3.523 1.00 0.05 H new ATOM 0 HD11 ILE A 104 101.930 2.353 -0.236 1.00 0.07 H new ATOM 0 HD12 ILE A 104 100.189 2.645 -0.462 1.00 0.07 H new ATOM 0 HD13 ILE A 104 101.096 3.571 0.758 1.00 0.07 H new ATOM 1584 N ALA A 105 97.622 -0.764 1.819 1.00 0.05 N ATOM 1585 CA ALA A 105 97.161 -1.903 1.068 1.00 0.06 C ATOM 1586 C ALA A 105 96.339 -1.304 -0.087 1.00 0.07 C ATOM 1587 O ALA A 105 95.396 -0.563 0.171 1.00 0.07 O ATOM 1588 CB ALA A 105 96.276 -2.796 1.942 1.00 0.06 C ATOM 0 H ALA A 105 96.876 -0.092 1.999 1.00 0.05 H new ATOM 0 HA ALA A 105 97.984 -2.523 0.713 1.00 0.06 H new ATOM 0 HB1 ALA A 105 95.936 -3.652 1.360 1.00 0.06 H new ATOM 0 HB2 ALA A 105 96.848 -3.146 2.801 1.00 0.06 H new ATOM 0 HB3 ALA A 105 95.413 -2.226 2.288 1.00 0.06 H new ATOM 1594 N ALA A 106 96.787 -1.551 -1.311 1.00 0.07 N ATOM 1595 CA ALA A 106 96.055 -0.953 -2.433 1.00 0.08 C ATOM 1596 C ALA A 106 95.712 -2.007 -3.465 1.00 0.09 C ATOM 1597 O ALA A 106 96.580 -2.747 -3.894 1.00 0.09 O ATOM 1598 CB ALA A 106 96.919 0.129 -3.082 1.00 0.09 C ATOM 0 H ALA A 106 97.598 -2.121 -1.551 1.00 0.07 H new ATOM 0 HA ALA A 106 95.130 -0.516 -2.056 1.00 0.08 H new ATOM 0 HB1 ALA A 106 96.378 0.575 -3.916 1.00 0.09 H new ATOM 0 HB2 ALA A 106 97.151 0.899 -2.346 1.00 0.09 H new ATOM 0 HB3 ALA A 106 97.845 -0.315 -3.447 1.00 0.09 H new ATOM 1604 N ARG A 107 94.449 -2.066 -3.865 1.00 0.10 N ATOM 1605 CA ARG A 107 94.032 -3.031 -4.892 1.00 0.10 C ATOM 1606 C ARG A 107 94.868 -2.799 -6.139 1.00 0.11 C ATOM 1607 O ARG A 107 95.301 -1.678 -6.417 1.00 0.12 O ATOM 1608 CB ARG A 107 92.551 -2.827 -5.218 1.00 0.11 C ATOM 1609 CG ARG A 107 92.022 -4.048 -5.973 1.00 0.11 C ATOM 1610 CD ARG A 107 91.087 -3.591 -7.093 1.00 0.12 C ATOM 1611 NE ARG A 107 91.535 -4.184 -8.386 1.00 0.13 N ATOM 1612 CZ ARG A 107 90.733 -4.181 -9.417 1.00 0.14 C ATOM 1613 NH1 ARG A 107 89.541 -3.659 -9.315 1.00 0.14 N ATOM 1614 NH2 ARG A 107 91.125 -4.700 -10.548 1.00 0.15 N ATOM 0 H ARG A 107 93.702 -1.472 -3.506 1.00 0.10 H new ATOM 0 HA ARG A 107 94.177 -4.049 -4.530 1.00 0.10 H new ATOM 0 HB2 ARG A 107 91.983 -2.680 -4.300 1.00 0.11 H new ATOM 0 HB3 ARG A 107 92.421 -1.929 -5.821 1.00 0.11 H new ATOM 0 HG2 ARG A 107 92.852 -4.619 -6.389 1.00 0.11 H new ATOM 0 HG3 ARG A 107 91.491 -4.710 -5.289 1.00 0.11 H new ATOM 0 HD2 ARG A 107 90.064 -3.897 -6.875 1.00 0.12 H new ATOM 0 HD3 ARG A 107 91.087 -2.503 -7.160 1.00 0.12 H new ATOM 0 HE ARG A 107 92.467 -4.591 -8.465 1.00 0.13 H new ATOM 0 HH11 ARG A 107 89.236 -3.253 -8.430 1.00 0.14 H new ATOM 0 HH12 ARG A 107 88.915 -3.657 -10.120 1.00 0.14 H new ATOM 0 HH21 ARG A 107 92.057 -5.107 -10.626 1.00 0.15 H new ATOM 0 HH22 ARG A 107 90.500 -4.698 -11.354 1.00 0.15 H new ATOM 1628 N ASN A 108 95.147 -3.843 -6.913 1.00 0.12 N ATOM 1629 CA ASN A 108 95.838 -3.715 -8.191 1.00 0.13 C ATOM 1630 C ASN A 108 97.206 -3.082 -8.123 1.00 0.13 C ATOM 1631 O ASN A 108 97.651 -2.384 -9.039 1.00 0.14 O ATOM 1632 CB ASN A 108 94.966 -2.889 -9.133 1.00 0.14 C ATOM 1633 CG ASN A 108 93.780 -3.731 -9.604 1.00 0.14 C ATOM 1634 OD1 ASN A 108 93.018 -3.309 -10.453 1.00 0.15 O ATOM 1635 ND2 ASN A 108 93.589 -4.914 -9.088 1.00 0.13 N ATOM 0 H ASN A 108 94.900 -4.803 -6.671 1.00 0.12 H new ATOM 0 HA ASN A 108 95.999 -4.733 -8.546 1.00 0.13 H new ATOM 0 HB2 ASN A 108 94.610 -1.994 -8.624 1.00 0.14 H new ATOM 0 HB3 ASN A 108 95.552 -2.557 -9.990 1.00 0.14 H new ATOM 0 HD21 ASN A 108 92.801 -5.484 -9.397 1.00 0.13 H new ATOM 0 HD22 ASN A 108 94.227 -5.269 -8.376 1.00 0.13 H new ATOM 1642 N ASN A 109 97.940 -3.231 -7.016 1.00 0.12 N ATOM 1643 CA ASN A 109 99.227 -2.606 -6.807 1.00 0.12 C ATOM 1644 C ASN A 109 99.201 -1.102 -7.038 1.00 0.12 C ATOM 1645 O ASN A 109 100.230 -0.511 -7.390 1.00 0.13 O ATOM 1646 CB ASN A 109 100.239 -3.249 -7.765 1.00 0.13 C ATOM 1647 CG ASN A 109 100.511 -4.701 -7.355 1.00 0.23 C ATOM 1648 OD1 ASN A 109 100.508 -5.024 -6.191 1.00 0.97 O ATOM 1649 ND2 ASN A 109 100.727 -5.600 -8.276 1.00 1.28 N ATOM 0 H ASN A 109 97.639 -3.805 -6.229 1.00 0.12 H new ATOM 0 HA ASN A 109 99.507 -2.761 -5.765 1.00 0.12 H new ATOM 0 HB2 ASN A 109 99.855 -3.218 -8.785 1.00 0.13 H new ATOM 0 HB3 ASN A 109 101.169 -2.681 -7.757 1.00 0.13 H new ATOM 0 HD21 ASN A 109 100.892 -6.571 -8.012 1.00 1.28 H new ATOM 0 HD22 ASN A 109 100.730 -5.331 -9.260 1.00 1.28 H new ATOM 1656 N GLU A 110 98.121 -0.411 -6.717 1.00 0.12 N ATOM 1657 CA GLU A 110 97.975 1.025 -6.897 1.00 0.12 C ATOM 1658 C GLU A 110 98.546 1.841 -5.747 1.00 0.12 C ATOM 1659 O GLU A 110 98.048 2.927 -5.438 1.00 0.12 O ATOM 1660 CB GLU A 110 96.491 1.356 -7.046 1.00 0.13 C ATOM 1661 CG GLU A 110 95.931 0.648 -8.282 1.00 0.14 C ATOM 1662 CD GLU A 110 96.574 1.231 -9.540 1.00 0.15 C ATOM 1663 OE1 GLU A 110 97.196 2.276 -9.434 1.00 0.15 O ATOM 1664 OE2 GLU A 110 96.436 0.625 -10.589 1.00 0.16 O ATOM 0 H GLU A 110 97.294 -0.848 -6.310 1.00 0.12 H new ATOM 0 HA GLU A 110 98.541 1.292 -7.790 1.00 0.12 H new ATOM 0 HB2 GLU A 110 95.946 1.041 -6.156 1.00 0.13 H new ATOM 0 HB3 GLU A 110 96.355 2.434 -7.139 1.00 0.13 H new ATOM 0 HG2 GLU A 110 96.129 -0.422 -8.222 1.00 0.14 H new ATOM 0 HG3 GLU A 110 94.849 0.770 -8.324 1.00 0.14 H new ATOM 1671 N HIS A 111 99.600 1.371 -5.098 1.00 0.11 N ATOM 1672 CA HIS A 111 100.180 2.035 -3.935 1.00 0.10 C ATOM 1673 C HIS A 111 100.575 3.481 -4.145 1.00 0.11 C ATOM 1674 O HIS A 111 100.381 4.300 -3.241 1.00 0.10 O ATOM 1675 CB HIS A 111 101.417 1.257 -3.520 1.00 0.10 C ATOM 1676 CG HIS A 111 100.987 -0.118 -3.129 1.00 0.11 C ATOM 1677 ND1 HIS A 111 100.799 -1.248 -3.874 1.00 0.13 N flip ATOM 1678 CD2 HIS A 111 100.633 -0.448 -1.831 1.00 0.14 C flip ATOM 1679 CE1 HIS A 111 100.333 -2.267 -3.055 1.00 0.15 C flip ATOM 1680 NE2 HIS A 111 100.249 -1.734 -1.837 1.00 0.16 N flip ATOM 0 H HIS A 111 100.082 0.512 -5.363 1.00 0.11 H new ATOM 0 HA HIS A 111 99.401 2.049 -3.173 1.00 0.10 H new ATOM 0 HB2 HIS A 111 102.133 1.213 -4.341 1.00 0.10 H new ATOM 0 HB3 HIS A 111 101.917 1.751 -2.687 1.00 0.10 H new ATOM 0 HD2 HIS A 111 100.661 0.208 -0.973 1.00 0.14 H new ATOM 0 HE1 HIS A 111 100.090 -3.279 -3.344 1.00 0.15 H new ATOM 0 HE2 HIS A 111 99.932 -2.241 -1.011 1.00 0.16 H new ATOM 1688 N ILE A 112 101.116 3.823 -5.319 1.00 0.12 N ATOM 1689 CA ILE A 112 101.501 5.209 -5.566 1.00 0.13 C ATOM 1690 C ILE A 112 100.305 6.155 -5.554 1.00 0.13 C ATOM 1691 O ILE A 112 100.440 7.307 -5.159 1.00 0.13 O ATOM 1692 CB ILE A 112 102.161 5.303 -6.953 1.00 0.14 C ATOM 1693 CG1 ILE A 112 103.322 4.295 -7.064 1.00 0.13 C ATOM 1694 CG2 ILE A 112 102.659 6.742 -7.225 1.00 0.16 C ATOM 1695 CD1 ILE A 112 104.453 4.657 -6.098 1.00 0.13 C ATOM 0 H ILE A 112 101.292 3.179 -6.090 1.00 0.12 H new ATOM 0 HA ILE A 112 102.183 5.504 -4.769 1.00 0.13 H new ATOM 0 HB ILE A 112 101.415 5.054 -7.708 1.00 0.14 H new ATOM 0 HG12 ILE A 112 102.959 3.291 -6.846 1.00 0.13 H new ATOM 0 HG13 ILE A 112 103.701 4.282 -8.086 1.00 0.13 H new ATOM 0 HG21 ILE A 112 103.122 6.786 -8.211 1.00 0.16 H new ATOM 0 HG22 ILE A 112 101.816 7.432 -7.189 1.00 0.16 H new ATOM 0 HG23 ILE A 112 103.390 7.023 -6.467 1.00 0.16 H new ATOM 0 HD11 ILE A 112 105.260 3.931 -6.195 1.00 0.13 H new ATOM 0 HD12 ILE A 112 104.829 5.652 -6.335 1.00 0.13 H new ATOM 0 HD13 ILE A 112 104.076 4.646 -5.075 1.00 0.13 H new ATOM 1707 N GLN A 113 99.103 5.679 -5.897 1.00 0.13 N ATOM 1708 CA GLN A 113 97.918 6.531 -5.848 1.00 0.13 C ATOM 1709 C GLN A 113 97.570 6.850 -4.401 1.00 0.12 C ATOM 1710 O GLN A 113 97.200 7.982 -4.074 1.00 0.13 O ATOM 1711 CB GLN A 113 96.741 5.808 -6.507 1.00 0.14 C ATOM 1712 CG GLN A 113 97.051 5.544 -7.984 1.00 0.15 C ATOM 1713 CD GLN A 113 97.192 6.872 -8.730 1.00 0.16 C ATOM 1714 OE1 GLN A 113 96.381 7.763 -8.567 1.00 0.16 O ATOM 1715 NE2 GLN A 113 98.193 7.043 -9.551 1.00 0.17 N ATOM 0 H GLN A 113 98.930 4.723 -6.207 1.00 0.13 H new ATOM 0 HA GLN A 113 98.122 7.459 -6.382 1.00 0.13 H new ATOM 0 HB2 GLN A 113 96.548 4.866 -5.993 1.00 0.14 H new ATOM 0 HB3 GLN A 113 95.837 6.411 -6.418 1.00 0.14 H new ATOM 0 HG2 GLN A 113 97.971 4.966 -8.074 1.00 0.15 H new ATOM 0 HG3 GLN A 113 96.255 4.948 -8.431 1.00 0.15 H new ATOM 0 HE21 GLN A 113 98.874 6.296 -9.688 1.00 0.17 H new ATOM 0 HE22 GLN A 113 98.294 7.924 -10.055 1.00 0.17 H new ATOM 1724 N VAL A 114 97.690 5.844 -3.538 1.00 0.11 N ATOM 1725 CA VAL A 114 97.418 6.072 -2.117 1.00 0.10 C ATOM 1726 C VAL A 114 98.493 6.959 -1.506 1.00 0.10 C ATOM 1727 O VAL A 114 98.175 7.912 -0.791 1.00 0.10 O ATOM 1728 CB VAL A 114 97.391 4.729 -1.385 1.00 0.09 C ATOM 1729 CG1 VAL A 114 97.179 4.966 0.110 1.00 0.08 C ATOM 1730 CG2 VAL A 114 96.243 3.875 -1.932 1.00 0.09 C ATOM 0 H VAL A 114 97.964 4.893 -3.783 1.00 0.11 H new ATOM 0 HA VAL A 114 96.453 6.569 -2.018 1.00 0.10 H new ATOM 0 HB VAL A 114 98.338 4.212 -1.540 1.00 0.09 H new ATOM 0 HG11 VAL A 114 97.160 4.009 0.631 1.00 0.08 H new ATOM 0 HG12 VAL A 114 97.994 5.576 0.501 1.00 0.08 H new ATOM 0 HG13 VAL A 114 96.232 5.483 0.266 1.00 0.08 H new ATOM 0 HG21 VAL A 114 96.222 2.917 -1.412 1.00 0.09 H new ATOM 0 HG22 VAL A 114 95.297 4.394 -1.776 1.00 0.09 H new ATOM 0 HG23 VAL A 114 96.392 3.705 -2.998 1.00 0.09 H new ATOM 1740 N ILE A 115 99.760 6.710 -1.827 1.00 0.10 N ATOM 1741 CA ILE A 115 100.870 7.531 -1.354 1.00 0.10 C ATOM 1742 C ILE A 115 100.700 8.976 -1.815 1.00 0.11 C ATOM 1743 O ILE A 115 100.866 9.926 -1.048 1.00 0.11 O ATOM 1744 CB ILE A 115 102.181 6.982 -1.872 1.00 0.10 C ATOM 1745 CG1 ILE A 115 102.454 5.628 -1.211 1.00 0.09 C ATOM 1746 CG2 ILE A 115 103.296 7.957 -1.515 1.00 0.10 C ATOM 1747 CD1 ILE A 115 103.657 4.966 -1.886 1.00 0.10 C ATOM 0 H ILE A 115 100.046 5.933 -2.423 1.00 0.10 H new ATOM 0 HA ILE A 115 100.876 7.507 -0.264 1.00 0.10 H new ATOM 0 HB ILE A 115 102.134 6.855 -2.954 1.00 0.10 H new ATOM 0 HG12 ILE A 115 102.649 5.763 -0.147 1.00 0.09 H new ATOM 0 HG13 ILE A 115 101.577 4.986 -1.296 1.00 0.09 H new ATOM 0 HG21 ILE A 115 104.247 7.573 -1.883 1.00 0.10 H new ATOM 0 HG22 ILE A 115 103.094 8.925 -1.974 1.00 0.10 H new ATOM 0 HG23 ILE A 115 103.346 8.072 -0.432 1.00 0.10 H new ATOM 0 HD11 ILE A 115 103.853 4.002 -1.417 1.00 0.10 H new ATOM 0 HD12 ILE A 115 103.444 4.818 -2.945 1.00 0.10 H new ATOM 0 HD13 ILE A 115 104.533 5.606 -1.778 1.00 0.10 H new ATOM 1759 N THR A 116 100.333 9.166 -3.078 1.00 0.12 N ATOM 1760 CA THR A 116 100.150 10.492 -3.661 1.00 0.13 C ATOM 1761 C THR A 116 99.051 11.255 -2.944 1.00 0.13 C ATOM 1762 O THR A 116 99.208 12.448 -2.670 1.00 0.14 O ATOM 1763 CB THR A 116 99.789 10.342 -5.147 1.00 0.14 C ATOM 1764 OG1 THR A 116 100.839 9.664 -5.819 1.00 0.22 O ATOM 1765 CG2 THR A 116 99.612 11.720 -5.793 1.00 0.24 C ATOM 0 H THR A 116 100.153 8.402 -3.729 1.00 0.12 H new ATOM 0 HA THR A 116 101.079 11.053 -3.555 1.00 0.13 H new ATOM 0 HB THR A 116 98.858 9.780 -5.225 1.00 0.14 H new ATOM 0 HG1 THR A 116 100.622 8.711 -5.886 1.00 0.22 H new ATOM 0 HG21 THR A 116 99.357 11.598 -6.846 1.00 0.24 H new ATOM 0 HG22 THR A 116 98.812 12.260 -5.286 1.00 0.24 H new ATOM 0 HG23 THR A 116 100.541 12.284 -5.708 1.00 0.24 H new ATOM 1773 N SER A 117 97.956 10.568 -2.644 1.00 0.13 N ATOM 1774 CA SER A 117 96.858 11.209 -1.920 1.00 0.13 C ATOM 1775 C SER A 117 97.316 11.624 -0.521 1.00 0.12 C ATOM 1776 O SER A 117 97.039 12.760 -0.125 1.00 0.12 O ATOM 1777 CB SER A 117 95.689 10.233 -1.801 1.00 0.13 C ATOM 1778 OG SER A 117 94.778 10.707 -0.821 1.00 0.12 O ATOM 0 H SER A 117 97.802 9.588 -2.883 1.00 0.13 H new ATOM 0 HA SER A 117 96.544 12.097 -2.469 1.00 0.13 H new ATOM 0 HB2 SER A 117 95.186 10.132 -2.763 1.00 0.13 H new ATOM 0 HB3 SER A 117 96.054 9.243 -1.526 1.00 0.13 H new ATOM 0 HG SER A 117 93.871 10.416 -1.050 1.00 0.12 H new ATOM 1784 N LEU A 118 98.003 10.749 0.195 1.00 0.11 N ATOM 1785 CA LEU A 118 98.499 11.083 1.530 1.00 0.10 C ATOM 1786 C LEU A 118 99.490 12.233 1.508 1.00 0.10 C ATOM 1787 O LEU A 118 99.346 13.216 2.243 1.00 0.10 O ATOM 1788 CB LEU A 118 99.179 9.851 2.130 1.00 0.09 C ATOM 1789 CG LEU A 118 98.119 8.813 2.498 1.00 0.08 C ATOM 1790 CD1 LEU A 118 98.791 7.459 2.737 1.00 0.07 C ATOM 1791 CD2 LEU A 118 97.397 9.252 3.773 1.00 0.08 C ATOM 0 H LEU A 118 98.232 9.806 -0.119 1.00 0.11 H new ATOM 0 HA LEU A 118 97.645 11.394 2.132 1.00 0.10 H new ATOM 0 HB2 LEU A 118 99.885 9.428 1.416 1.00 0.09 H new ATOM 0 HB3 LEU A 118 99.750 10.132 3.015 1.00 0.09 H new ATOM 0 HG LEU A 118 97.400 8.725 1.683 1.00 0.08 H new ATOM 0 HD11 LEU A 118 98.035 6.719 2.999 1.00 0.07 H new ATOM 0 HD12 LEU A 118 99.308 7.144 1.830 1.00 0.07 H new ATOM 0 HD13 LEU A 118 99.510 7.548 3.552 1.00 0.07 H new ATOM 0 HD21 LEU A 118 96.641 8.512 4.036 1.00 0.08 H new ATOM 0 HD22 LEU A 118 98.117 9.340 4.587 1.00 0.08 H new ATOM 0 HD23 LEU A 118 96.918 10.217 3.606 1.00 0.08 H new ATOM 1803 N THR A 119 100.494 12.174 0.633 1.00 0.11 N ATOM 1804 CA THR A 119 101.536 13.192 0.569 1.00 0.11 C ATOM 1805 C THR A 119 101.005 14.535 0.098 1.00 0.12 C ATOM 1806 O THR A 119 101.514 15.591 0.469 1.00 0.13 O ATOM 1807 CB THR A 119 102.642 12.736 -0.387 1.00 0.12 C ATOM 1808 OG1 THR A 119 102.073 12.396 -1.642 1.00 0.13 O ATOM 1809 CG2 THR A 119 103.360 11.520 0.199 1.00 0.11 C ATOM 0 H THR A 119 100.605 11.422 -0.047 1.00 0.11 H new ATOM 0 HA THR A 119 101.924 13.319 1.580 1.00 0.11 H new ATOM 0 HB THR A 119 103.360 13.545 -0.522 1.00 0.12 H new ATOM 0 HG1 THR A 119 101.724 11.481 -1.606 1.00 0.13 H new ATOM 0 HG21 THR A 119 104.146 11.198 -0.484 1.00 0.11 H new ATOM 0 HG22 THR A 119 103.800 11.786 1.160 1.00 0.11 H new ATOM 0 HG23 THR A 119 102.646 10.708 0.339 1.00 0.11 H new ATOM 1817 N ASN A 120 99.928 14.553 -0.682 1.00 0.13 N ATOM 1818 CA ASN A 120 99.262 15.762 -1.129 1.00 0.14 C ATOM 1819 C ASN A 120 98.682 16.496 0.078 1.00 0.14 C ATOM 1820 O ASN A 120 98.775 17.709 0.180 1.00 0.15 O ATOM 1821 CB ASN A 120 98.137 15.420 -2.109 1.00 0.15 C ATOM 1822 CG ASN A 120 98.724 14.959 -3.439 1.00 0.17 C ATOM 1823 OD1 ASN A 120 99.944 14.950 -3.610 1.00 1.07 O ATOM 1824 ND2 ASN A 120 97.924 14.605 -4.406 1.00 1.13 N ATOM 0 H ASN A 120 99.486 13.701 -1.027 1.00 0.13 H new ATOM 0 HA ASN A 120 99.987 16.399 -1.636 1.00 0.14 H new ATOM 0 HB2 ASN A 120 97.505 14.637 -1.690 1.00 0.15 H new ATOM 0 HB3 ASN A 120 97.502 16.292 -2.265 1.00 0.15 H new ATOM 0 HD21 ASN A 120 98.308 14.320 -5.307 1.00 1.13 H new ATOM 0 HD22 ASN A 120 96.914 14.613 -4.261 1.00 1.13 H new ATOM 1831 N ALA A 121 98.140 15.756 1.047 1.00 0.13 N ATOM 1832 CA ALA A 121 97.599 16.333 2.270 1.00 0.13 C ATOM 1833 C ALA A 121 98.703 16.665 3.266 1.00 0.12 C ATOM 1834 O ALA A 121 98.486 17.419 4.213 1.00 0.12 O ATOM 1835 CB ALA A 121 96.630 15.336 2.909 1.00 0.12 C ATOM 0 H ALA A 121 98.066 14.740 1.002 1.00 0.13 H new ATOM 0 HA ALA A 121 97.083 17.258 2.012 1.00 0.13 H new ATOM 0 HB1 ALA A 121 96.221 15.762 3.825 1.00 0.12 H new ATOM 0 HB2 ALA A 121 95.818 15.122 2.215 1.00 0.12 H new ATOM 0 HB3 ALA A 121 97.160 14.413 3.143 1.00 0.12 H new ATOM 1841 N LEU A 122 99.902 16.125 3.072 1.00 0.12 N ATOM 1842 CA LEU A 122 101.053 16.374 3.912 1.00 0.11 C ATOM 1843 C LEU A 122 102.074 17.297 3.263 1.00 0.12 C ATOM 1844 O LEU A 122 103.263 17.252 3.586 1.00 0.11 O ATOM 1845 CB LEU A 122 101.726 15.041 4.239 1.00 0.10 C ATOM 1846 CG LEU A 122 100.719 14.113 4.918 1.00 0.09 C ATOM 1847 CD1 LEU A 122 101.373 12.756 5.181 1.00 0.08 C ATOM 1848 CD2 LEU A 122 100.274 14.730 6.246 1.00 0.09 C ATOM 0 H LEU A 122 100.098 15.485 2.302 1.00 0.12 H new ATOM 0 HA LEU A 122 100.695 16.871 4.813 1.00 0.11 H new ATOM 0 HB2 LEU A 122 102.104 14.579 3.327 1.00 0.10 H new ATOM 0 HB3 LEU A 122 102.583 15.205 4.892 1.00 0.10 H new ATOM 0 HG LEU A 122 99.853 13.979 4.270 1.00 0.09 H new ATOM 0 HD11 LEU A 122 100.655 12.094 5.665 1.00 0.08 H new ATOM 0 HD12 LEU A 122 101.692 12.316 4.236 1.00 0.08 H new ATOM 0 HD13 LEU A 122 102.239 12.889 5.830 1.00 0.08 H new ATOM 0 HD21 LEU A 122 99.556 14.069 6.732 1.00 0.09 H new ATOM 0 HD22 LEU A 122 101.140 14.863 6.894 1.00 0.09 H new ATOM 0 HD23 LEU A 122 99.808 15.698 6.060 1.00 0.09 H new ATOM 1860 N ASP A 123 101.646 18.167 2.356 1.00 0.13 N ATOM 1861 CA ASP A 123 102.509 19.094 1.638 1.00 0.14 C ATOM 1862 C ASP A 123 103.028 20.234 2.503 1.00 0.14 C ATOM 1863 O ASP A 123 103.963 20.933 2.095 1.00 0.15 O ATOM 1864 CB ASP A 123 101.743 19.687 0.455 1.00 0.15 C ATOM 1865 CG ASP A 123 100.461 20.351 0.944 1.00 0.20 C ATOM 1866 OD1 ASP A 123 100.184 20.260 2.128 1.00 1.10 O ATOM 1867 OD2 ASP A 123 99.778 20.948 0.128 1.00 1.10 O ATOM 0 H ASP A 123 100.664 18.248 2.094 1.00 0.13 H new ATOM 0 HA ASP A 123 103.374 18.519 1.307 1.00 0.14 H new ATOM 0 HB2 ASP A 123 102.365 20.417 -0.063 1.00 0.15 H new ATOM 0 HB3 ASP A 123 101.505 18.903 -0.264 1.00 0.15 H new ATOM 1872 N ASP A 124 102.471 20.449 3.687 1.00 0.14 N ATOM 1873 CA ASP A 124 102.914 21.500 4.599 1.00 0.14 C ATOM 1874 C ASP A 124 103.579 20.935 5.843 1.00 0.12 C ATOM 1875 O ASP A 124 103.035 20.078 6.540 1.00 0.12 O ATOM 1876 CB ASP A 124 101.707 22.341 5.015 1.00 0.14 C ATOM 1877 CG ASP A 124 101.287 23.244 3.852 1.00 0.16 C ATOM 1878 OD1 ASP A 124 102.083 23.415 2.946 1.00 0.16 O ATOM 1879 OD2 ASP A 124 100.178 23.750 3.893 1.00 0.16 O ATOM 0 H ASP A 124 101.693 19.896 4.046 1.00 0.14 H new ATOM 0 HA ASP A 124 103.651 22.109 4.075 1.00 0.14 H new ATOM 0 HB2 ASP A 124 100.880 21.692 5.302 1.00 0.14 H new ATOM 0 HB3 ASP A 124 101.955 22.946 5.887 1.00 0.14 H new ATOM 1884 N GLU A 125 104.754 21.453 6.194 1.00 0.12 N ATOM 1885 CA GLU A 125 105.537 21.054 7.344 1.00 0.11 C ATOM 1886 C GLU A 125 104.808 21.120 8.676 1.00 0.11 C ATOM 1887 O GLU A 125 105.044 20.285 9.556 1.00 0.10 O ATOM 1888 CB GLU A 125 106.775 21.946 7.424 1.00 0.12 C ATOM 1889 CG GLU A 125 106.343 23.416 7.447 1.00 0.13 C ATOM 1890 CD GLU A 125 107.580 24.312 7.339 1.00 0.13 C ATOM 1891 OE1 GLU A 125 108.621 23.808 6.955 1.00 0.13 O ATOM 1892 OE2 GLU A 125 107.463 25.487 7.647 1.00 0.14 O ATOM 0 H GLU A 125 105.200 22.195 5.655 1.00 0.12 H new ATOM 0 HA GLU A 125 105.782 20.003 7.188 1.00 0.11 H new ATOM 0 HB2 GLU A 125 107.349 21.710 8.320 1.00 0.12 H new ATOM 0 HB3 GLU A 125 107.426 21.760 6.570 1.00 0.12 H new ATOM 0 HG2 GLU A 125 105.660 23.619 6.622 1.00 0.13 H new ATOM 0 HG3 GLU A 125 105.802 23.633 8.368 1.00 0.13 H new ATOM 1899 N SER A 126 103.933 22.110 8.842 1.00 0.12 N ATOM 1900 CA SER A 126 103.155 22.253 10.062 1.00 0.12 C ATOM 1901 C SER A 126 102.176 21.105 10.223 1.00 0.11 C ATOM 1902 O SER A 126 101.906 20.707 11.360 1.00 0.11 O ATOM 1903 CB SER A 126 102.380 23.570 10.016 1.00 0.13 C ATOM 1904 OG SER A 126 101.321 23.460 9.075 1.00 0.14 O ATOM 0 H SER A 126 103.747 22.827 8.140 1.00 0.12 H new ATOM 0 HA SER A 126 103.840 22.246 10.910 1.00 0.12 H new ATOM 0 HB2 SER A 126 101.982 23.805 11.003 1.00 0.13 H new ATOM 0 HB3 SER A 126 103.046 24.387 9.738 1.00 0.13 H new ATOM 0 HG SER A 126 100.821 24.303 9.045 1.00 0.14 H new ATOM 1910 N VAL A 127 101.623 20.578 9.122 1.00 0.11 N ATOM 1911 CA VAL A 127 100.682 19.473 9.241 1.00 0.11 C ATOM 1912 C VAL A 127 101.398 18.228 9.772 1.00 0.10 C ATOM 1913 O VAL A 127 100.884 17.568 10.672 1.00 0.09 O ATOM 1914 CB VAL A 127 100.084 19.166 7.868 1.00 0.11 C ATOM 1915 CG1 VAL A 127 99.216 17.908 7.956 1.00 0.11 C ATOM 1916 CG2 VAL A 127 99.224 20.348 7.413 1.00 0.13 C ATOM 0 H VAL A 127 101.808 20.892 8.169 1.00 0.11 H new ATOM 0 HA VAL A 127 99.890 19.753 9.935 1.00 0.11 H new ATOM 0 HB VAL A 127 100.888 19.001 7.150 1.00 0.11 H new ATOM 0 HG11 VAL A 127 98.790 17.690 6.976 1.00 0.11 H new ATOM 0 HG12 VAL A 127 99.827 17.066 8.281 1.00 0.11 H new ATOM 0 HG13 VAL A 127 98.411 18.071 8.673 1.00 0.11 H new ATOM 0 HG21 VAL A 127 98.796 20.131 6.434 1.00 0.13 H new ATOM 0 HG22 VAL A 127 98.421 20.512 8.132 1.00 0.13 H new ATOM 0 HG23 VAL A 127 99.842 21.244 7.349 1.00 0.13 H new ATOM 1926 N ILE A 128 102.586 17.909 9.272 1.00 0.09 N ATOM 1927 CA ILE A 128 103.323 16.729 9.728 1.00 0.08 C ATOM 1928 C ILE A 128 103.681 16.827 11.208 1.00 0.08 C ATOM 1929 O ILE A 128 103.481 15.903 12.000 1.00 0.07 O ATOM 1930 CB ILE A 128 104.607 16.588 8.920 1.00 0.08 C ATOM 1931 CG1 ILE A 128 104.206 16.279 7.472 1.00 0.08 C ATOM 1932 CG2 ILE A 128 105.451 15.435 9.523 1.00 0.07 C ATOM 1933 CD1 ILE A 128 105.395 16.478 6.539 1.00 0.09 C ATOM 0 H ILE A 128 103.063 18.449 8.550 1.00 0.09 H new ATOM 0 HA ILE A 128 102.681 15.860 9.585 1.00 0.08 H new ATOM 0 HB ILE A 128 105.205 17.499 8.947 1.00 0.08 H new ATOM 0 HG12 ILE A 128 103.845 15.253 7.399 1.00 0.08 H new ATOM 0 HG13 ILE A 128 103.385 16.928 7.169 1.00 0.08 H new ATOM 0 HG21 ILE A 128 106.374 15.323 8.954 1.00 0.07 H new ATOM 0 HG22 ILE A 128 105.691 15.664 10.561 1.00 0.07 H new ATOM 0 HG23 ILE A 128 104.882 14.506 9.479 1.00 0.07 H new ATOM 0 HD11 ILE A 128 105.095 16.255 5.515 1.00 0.09 H new ATOM 0 HD12 ILE A 128 105.737 17.511 6.600 1.00 0.09 H new ATOM 0 HD13 ILE A 128 106.204 15.810 6.834 1.00 0.09 H new ATOM 1945 N GLU A 129 104.199 17.987 11.614 1.00 0.08 N ATOM 1946 CA GLU A 129 104.547 18.218 13.012 1.00 0.08 C ATOM 1947 C GLU A 129 103.348 17.976 13.919 1.00 0.08 C ATOM 1948 O GLU A 129 103.469 17.276 14.923 1.00 0.08 O ATOM 1949 CB GLU A 129 105.025 19.661 13.182 1.00 0.09 C ATOM 1950 CG GLU A 129 106.517 19.748 12.851 1.00 0.09 C ATOM 1951 CD GLU A 129 107.218 18.473 13.317 1.00 0.08 C ATOM 1952 OE1 GLU A 129 106.884 17.995 14.389 1.00 0.07 O ATOM 1953 OE2 GLU A 129 108.078 17.996 12.597 1.00 0.07 O ATOM 0 H GLU A 129 104.385 18.777 10.996 1.00 0.08 H new ATOM 0 HA GLU A 129 105.339 17.523 13.291 1.00 0.08 H new ATOM 0 HB2 GLU A 129 104.457 20.323 12.528 1.00 0.09 H new ATOM 0 HB3 GLU A 129 104.848 19.996 14.204 1.00 0.09 H new ATOM 0 HG2 GLU A 129 106.655 19.880 11.778 1.00 0.09 H new ATOM 0 HG3 GLU A 129 106.958 20.617 13.339 1.00 0.09 H new ATOM 1960 N ARG A 130 102.195 18.535 13.564 1.00 0.09 N ATOM 1961 CA ARG A 130 100.978 18.363 14.340 1.00 0.10 C ATOM 1962 C ARG A 130 100.546 16.907 14.416 1.00 0.09 C ATOM 1963 O ARG A 130 100.202 16.406 15.485 1.00 0.09 O ATOM 1964 CB ARG A 130 99.875 19.244 13.756 1.00 0.11 C ATOM 1965 CG ARG A 130 100.281 20.741 13.876 1.00 0.11 C ATOM 1966 CD ARG A 130 100.574 21.211 15.327 1.00 0.12 C ATOM 1967 NE ARG A 130 99.523 20.740 16.289 1.00 0.12 N ATOM 1968 CZ ARG A 130 98.272 21.066 16.148 1.00 0.13 C ATOM 1969 NH1 ARG A 130 97.902 21.835 15.165 1.00 0.14 N ATOM 1970 NH2 ARG A 130 97.396 20.666 17.026 1.00 0.14 N ATOM 0 H ARG A 130 102.081 19.117 12.734 1.00 0.09 H new ATOM 0 HA ARG A 130 101.178 18.674 15.365 1.00 0.10 H new ATOM 0 HB2 ARG A 130 99.705 18.986 12.711 1.00 0.11 H new ATOM 0 HB3 ARG A 130 98.938 19.068 14.284 1.00 0.11 H new ATOM 0 HG2 ARG A 130 101.167 20.915 13.265 1.00 0.11 H new ATOM 0 HG3 ARG A 130 99.482 21.356 13.462 1.00 0.11 H new ATOM 0 HD2 ARG A 130 101.548 20.836 15.641 1.00 0.12 H new ATOM 0 HD3 ARG A 130 100.628 22.299 15.352 1.00 0.12 H new ATOM 0 HE ARG A 130 99.797 20.149 17.074 1.00 0.12 H new ATOM 0 HH11 ARG A 130 98.594 22.184 14.502 1.00 0.14 H new ATOM 0 HH12 ARG A 130 96.920 22.089 15.058 1.00 0.14 H new ATOM 0 HH21 ARG A 130 97.692 20.099 17.821 1.00 0.14 H new ATOM 0 HH22 ARG A 130 96.414 20.920 16.919 1.00 0.14 H new ATOM 1984 N LEU A 131 100.585 16.218 13.270 1.00 0.09 N ATOM 1985 CA LEU A 131 100.193 14.821 13.231 1.00 0.08 C ATOM 1986 C LEU A 131 101.122 13.934 14.049 1.00 0.07 C ATOM 1987 O LEU A 131 100.667 12.983 14.663 1.00 0.07 O ATOM 1988 CB LEU A 131 100.197 14.343 11.778 1.00 0.07 C ATOM 1989 CG LEU A 131 99.030 14.985 11.025 1.00 0.08 C ATOM 1990 CD1 LEU A 131 99.175 14.710 9.527 1.00 0.08 C ATOM 1991 CD2 LEU A 131 97.713 14.388 11.526 1.00 0.09 C ATOM 0 H LEU A 131 100.881 16.605 12.374 1.00 0.09 H new ATOM 0 HA LEU A 131 99.197 14.745 13.667 1.00 0.08 H new ATOM 0 HB2 LEU A 131 101.141 14.606 11.300 1.00 0.07 H new ATOM 0 HB3 LEU A 131 100.114 13.257 11.741 1.00 0.07 H new ATOM 0 HG LEU A 131 99.033 16.061 11.199 1.00 0.08 H new ATOM 0 HD11 LEU A 131 98.343 15.167 8.991 1.00 0.08 H new ATOM 0 HD12 LEU A 131 100.114 15.132 9.169 1.00 0.08 H new ATOM 0 HD13 LEU A 131 99.171 13.634 9.353 1.00 0.08 H new ATOM 0 HD21 LEU A 131 96.880 14.844 10.991 1.00 0.09 H new ATOM 0 HD22 LEU A 131 97.711 13.312 11.351 1.00 0.09 H new ATOM 0 HD23 LEU A 131 97.608 14.582 12.593 1.00 0.09 H new ATOM 2003 N ALA A 132 102.403 14.239 14.040 1.00 0.07 N ATOM 2004 CA ALA A 132 103.432 13.473 14.716 1.00 0.06 C ATOM 2005 C ALA A 132 103.314 13.433 16.224 1.00 0.07 C ATOM 2006 O ALA A 132 103.785 12.483 16.860 1.00 0.07 O ATOM 2007 CB ALA A 132 104.794 14.061 14.350 1.00 0.06 C ATOM 0 H ALA A 132 102.769 15.053 13.546 1.00 0.07 H new ATOM 0 HA ALA A 132 103.312 12.444 14.378 1.00 0.06 H new ATOM 0 HB1 ALA A 132 105.581 13.496 14.850 1.00 0.06 H new ATOM 0 HB2 ALA A 132 104.937 14.004 13.271 1.00 0.06 H new ATOM 0 HB3 ALA A 132 104.838 15.103 14.667 1.00 0.06 H new ATOM 2013 N HIS A 133 102.757 14.477 16.852 1.00 0.08 N ATOM 2014 CA HIS A 133 102.699 14.520 18.309 1.00 0.09 C ATOM 2015 C HIS A 133 101.325 14.737 18.915 1.00 0.10 C ATOM 2016 O HIS A 133 101.220 14.804 20.152 1.00 0.11 O ATOM 2017 CB HIS A 133 103.621 15.638 18.794 1.00 0.09 C ATOM 2018 CG HIS A 133 105.041 15.315 18.422 1.00 0.08 C ATOM 2019 ND1 HIS A 133 105.831 14.467 19.184 1.00 0.08 N ATOM 2020 CD2 HIS A 133 105.827 15.718 17.368 1.00 0.08 C ATOM 2021 CE1 HIS A 133 107.036 14.388 18.586 1.00 0.08 C ATOM 2022 NE2 HIS A 133 107.082 15.131 17.477 1.00 0.07 N ATOM 0 H HIS A 133 102.349 15.285 16.381 1.00 0.08 H new ATOM 0 HA HIS A 133 103.007 13.528 18.640 1.00 0.09 H new ATOM 0 HB2 HIS A 133 103.324 16.587 18.348 1.00 0.09 H new ATOM 0 HB3 HIS A 133 103.534 15.752 19.875 1.00 0.09 H new ATOM 0 HD1 HIS A 133 105.551 13.990 20.041 1.00 0.08 H new ATOM 0 HD2 HIS A 133 105.517 16.387 16.578 1.00 0.08 H new ATOM 0 HE1 HIS A 133 107.861 13.798 18.957 1.00 0.08 H new ATOM 2030 N THR A 134 100.300 14.858 18.088 1.00 0.10 N ATOM 2031 CA THR A 134 98.950 15.068 18.574 1.00 0.11 C ATOM 2032 C THR A 134 98.404 13.865 19.330 1.00 0.11 C ATOM 2033 O THR A 134 98.668 12.720 18.977 1.00 0.11 O ATOM 2034 CB THR A 134 98.034 15.366 17.386 1.00 0.11 C ATOM 2035 OG1 THR A 134 96.731 15.673 17.861 1.00 0.12 O ATOM 2036 CG2 THR A 134 97.971 14.144 16.468 1.00 0.10 C ATOM 0 H THR A 134 100.380 14.814 17.072 1.00 0.10 H new ATOM 0 HA THR A 134 98.980 15.906 19.270 1.00 0.11 H new ATOM 0 HB THR A 134 98.427 16.216 16.828 1.00 0.11 H new ATOM 0 HG1 THR A 134 96.296 16.296 17.242 1.00 0.12 H new ATOM 0 HG21 THR A 134 97.318 14.358 15.622 1.00 0.10 H new ATOM 0 HG22 THR A 134 98.972 13.910 16.104 1.00 0.10 H new ATOM 0 HG23 THR A 134 97.579 13.292 17.023 1.00 0.10 H new ATOM 2044 N THR A 135 97.592 14.153 20.359 1.00 0.12 N ATOM 2045 CA THR A 135 96.952 13.074 21.112 1.00 0.13 C ATOM 2046 C THR A 135 95.479 13.017 20.743 1.00 0.14 C ATOM 2047 O THR A 135 94.673 12.270 21.308 1.00 0.14 O ATOM 2048 CB THR A 135 97.097 13.341 22.614 1.00 0.14 C ATOM 2049 OG1 THR A 135 96.470 14.575 22.934 1.00 0.15 O ATOM 2050 CG2 THR A 135 98.579 13.406 22.982 1.00 0.14 C ATOM 0 H THR A 135 97.370 15.096 20.679 1.00 0.12 H new ATOM 0 HA THR A 135 97.427 12.124 20.870 1.00 0.13 H new ATOM 0 HB THR A 135 96.623 12.536 23.176 1.00 0.14 H new ATOM 0 HG1 THR A 135 96.559 14.748 23.894 1.00 0.15 H new ATOM 0 HG21 THR A 135 98.681 13.596 24.051 1.00 0.14 H new ATOM 0 HG22 THR A 135 99.057 12.458 22.735 1.00 0.14 H new ATOM 0 HG23 THR A 135 99.058 14.210 22.423 1.00 0.14 H new ATOM 2058 N SER A 136 95.117 13.786 19.708 1.00 0.13 N ATOM 2059 CA SER A 136 93.747 13.840 19.241 1.00 0.14 C ATOM 2060 C SER A 136 93.459 13.097 17.947 1.00 0.13 C ATOM 2061 O SER A 136 93.880 13.552 16.880 1.00 0.13 O ATOM 2062 CB SER A 136 93.359 15.305 19.050 1.00 0.15 C ATOM 2063 OG SER A 136 91.993 15.384 18.668 1.00 0.15 O ATOM 0 H SER A 136 95.763 14.376 19.185 1.00 0.13 H new ATOM 0 HA SER A 136 93.159 13.333 20.006 1.00 0.14 H new ATOM 0 HB2 SER A 136 93.523 15.860 19.974 1.00 0.15 H new ATOM 0 HB3 SER A 136 93.989 15.763 18.287 1.00 0.15 H new ATOM 0 HG SER A 136 91.741 16.323 18.546 1.00 0.15 H new ATOM 2069 N VAL A 137 92.623 12.065 18.002 1.00 0.14 N ATOM 2070 CA VAL A 137 92.218 11.326 16.807 1.00 0.13 C ATOM 2071 C VAL A 137 91.421 12.221 15.866 1.00 0.14 C ATOM 2072 O VAL A 137 91.615 12.251 14.649 1.00 0.13 O ATOM 2073 CB VAL A 137 91.356 10.132 17.222 1.00 0.14 C ATOM 2074 CG1 VAL A 137 90.588 9.611 16.004 1.00 0.13 C ATOM 2075 CG2 VAL A 137 92.254 9.022 17.770 1.00 0.13 C ATOM 0 H VAL A 137 92.209 11.718 18.867 1.00 0.14 H new ATOM 0 HA VAL A 137 93.112 10.981 16.287 1.00 0.13 H new ATOM 0 HB VAL A 137 90.650 10.443 17.992 1.00 0.14 H new ATOM 0 HG11 VAL A 137 89.973 8.760 16.298 1.00 0.13 H new ATOM 0 HG12 VAL A 137 89.949 10.402 15.611 1.00 0.13 H new ATOM 0 HG13 VAL A 137 91.294 9.300 15.234 1.00 0.13 H new ATOM 0 HG21 VAL A 137 91.641 8.171 18.066 1.00 0.13 H new ATOM 0 HG22 VAL A 137 92.959 8.711 16.999 1.00 0.13 H new ATOM 0 HG23 VAL A 137 92.803 9.392 18.636 1.00 0.13 H new ATOM 2085 N ASP A 138 90.508 13.010 16.450 1.00 0.15 N ATOM 2086 CA ASP A 138 89.691 13.936 15.672 1.00 0.15 C ATOM 2087 C ASP A 138 90.559 14.893 14.870 1.00 0.15 C ATOM 2088 O ASP A 138 90.248 15.192 13.711 1.00 0.15 O ATOM 2089 CB ASP A 138 88.801 14.741 16.621 1.00 0.17 C ATOM 2090 CG ASP A 138 87.567 13.914 16.987 1.00 0.17 C ATOM 2091 OD1 ASP A 138 87.305 12.940 16.302 1.00 0.17 O ATOM 2092 OD2 ASP A 138 86.903 14.270 17.947 1.00 0.18 O ATOM 0 H ASP A 138 90.322 13.022 17.453 1.00 0.15 H new ATOM 0 HA ASP A 138 89.082 13.358 14.977 1.00 0.15 H new ATOM 0 HB2 ASP A 138 89.356 15.004 17.522 1.00 0.17 H new ATOM 0 HB3 ASP A 138 88.499 15.675 16.148 1.00 0.17 H new ATOM 2097 N GLU A 139 91.654 15.390 15.432 1.00 0.14 N ATOM 2098 CA GLU A 139 92.552 16.298 14.734 1.00 0.14 C ATOM 2099 C GLU A 139 93.169 15.589 13.527 1.00 0.13 C ATOM 2100 O GLU A 139 93.287 16.173 12.452 1.00 0.13 O ATOM 2101 CB GLU A 139 93.663 16.747 15.686 1.00 0.14 C ATOM 2102 CG GLU A 139 94.645 17.649 14.935 1.00 0.13 C ATOM 2103 CD GLU A 139 95.478 18.447 15.941 1.00 0.13 C ATOM 2104 OE1 GLU A 139 95.821 17.888 16.969 1.00 0.13 O ATOM 2105 OE2 GLU A 139 95.757 19.602 15.664 1.00 0.14 O ATOM 0 H GLU A 139 91.944 15.174 16.386 1.00 0.14 H new ATOM 0 HA GLU A 139 91.991 17.168 14.392 1.00 0.14 H new ATOM 0 HB2 GLU A 139 93.236 17.283 16.534 1.00 0.14 H new ATOM 0 HB3 GLU A 139 94.185 15.879 16.088 1.00 0.14 H new ATOM 0 HG2 GLU A 139 95.298 17.047 14.303 1.00 0.13 H new ATOM 0 HG3 GLU A 139 94.102 18.328 14.277 1.00 0.13 H new ATOM 2112 N VAL A 140 93.570 14.335 13.738 1.00 0.12 N ATOM 2113 CA VAL A 140 94.112 13.541 12.639 1.00 0.11 C ATOM 2114 C VAL A 140 93.089 13.480 11.503 1.00 0.12 C ATOM 2115 O VAL A 140 93.407 13.802 10.361 1.00 0.11 O ATOM 2116 CB VAL A 140 94.415 12.126 13.132 1.00 0.10 C ATOM 2117 CG1 VAL A 140 94.869 11.261 11.956 1.00 0.09 C ATOM 2118 CG2 VAL A 140 95.527 12.180 14.184 1.00 0.10 C ATOM 0 H VAL A 140 93.531 13.857 14.638 1.00 0.12 H new ATOM 0 HA VAL A 140 95.031 14.001 12.276 1.00 0.11 H new ATOM 0 HB VAL A 140 93.516 11.695 13.573 1.00 0.10 H new ATOM 0 HG11 VAL A 140 95.085 10.252 12.308 1.00 0.09 H new ATOM 0 HG12 VAL A 140 94.079 11.222 11.206 1.00 0.09 H new ATOM 0 HG13 VAL A 140 95.768 11.691 11.514 1.00 0.09 H new ATOM 0 HG21 VAL A 140 95.744 11.172 14.536 1.00 0.10 H new ATOM 0 HG22 VAL A 140 96.425 12.611 13.742 1.00 0.10 H new ATOM 0 HG23 VAL A 140 95.204 12.796 15.023 1.00 0.10 H new ATOM 2128 N LEU A 141 91.857 13.092 11.829 1.00 0.12 N ATOM 2129 CA LEU A 141 90.805 13.022 10.825 1.00 0.13 C ATOM 2130 C LEU A 141 90.610 14.356 10.118 1.00 0.14 C ATOM 2131 O LEU A 141 90.541 14.413 8.885 1.00 0.14 O ATOM 2132 CB LEU A 141 89.493 12.616 11.501 1.00 0.14 C ATOM 2133 CG LEU A 141 89.578 11.154 11.943 1.00 0.13 C ATOM 2134 CD1 LEU A 141 88.284 10.762 12.656 1.00 0.14 C ATOM 2135 CD2 LEU A 141 89.776 10.262 10.716 1.00 0.12 C ATOM 0 H LEU A 141 91.568 12.825 12.770 1.00 0.12 H new ATOM 0 HA LEU A 141 91.099 12.284 10.079 1.00 0.13 H new ATOM 0 HB2 LEU A 141 89.302 13.257 12.362 1.00 0.14 H new ATOM 0 HB3 LEU A 141 88.659 12.751 10.812 1.00 0.14 H new ATOM 0 HG LEU A 141 90.420 11.027 12.624 1.00 0.13 H new ATOM 0 HD11 LEU A 141 88.344 9.720 12.971 1.00 0.14 H new ATOM 0 HD12 LEU A 141 88.143 11.398 13.530 1.00 0.14 H new ATOM 0 HD13 LEU A 141 87.441 10.888 11.976 1.00 0.14 H new ATOM 0 HD21 LEU A 141 89.837 9.220 11.030 1.00 0.12 H new ATOM 0 HD22 LEU A 141 88.934 10.388 10.035 1.00 0.12 H new ATOM 0 HD23 LEU A 141 90.699 10.542 10.208 1.00 0.12 H new ATOM 2147 N GLU A 142 90.548 15.454 10.869 1.00 0.14 N ATOM 2148 CA GLU A 142 90.391 16.767 10.260 1.00 0.15 C ATOM 2149 C GLU A 142 91.491 17.077 9.254 1.00 0.15 C ATOM 2150 O GLU A 142 91.204 17.511 8.136 1.00 0.15 O ATOM 2151 CB GLU A 142 90.406 17.831 11.358 1.00 0.16 C ATOM 2152 CG GLU A 142 89.075 17.805 12.111 1.00 0.17 C ATOM 2153 CD GLU A 142 89.171 18.702 13.346 1.00 0.17 C ATOM 2154 OE1 GLU A 142 90.081 19.511 13.397 1.00 0.17 O ATOM 2155 OE2 GLU A 142 88.331 18.563 14.220 1.00 0.18 O ATOM 0 H GLU A 142 90.604 15.459 11.887 1.00 0.14 H new ATOM 0 HA GLU A 142 89.442 16.770 9.723 1.00 0.15 H new ATOM 0 HB2 GLU A 142 91.230 17.646 12.047 1.00 0.16 H new ATOM 0 HB3 GLU A 142 90.570 18.816 10.922 1.00 0.16 H new ATOM 0 HG2 GLU A 142 88.270 18.148 11.461 1.00 0.17 H new ATOM 0 HG3 GLU A 142 88.832 16.785 12.407 1.00 0.17 H new ATOM 2162 N LEU A 143 92.749 16.880 9.647 1.00 0.14 N ATOM 2163 CA LEU A 143 93.874 17.210 8.783 1.00 0.13 C ATOM 2164 C LEU A 143 93.982 16.332 7.543 1.00 0.13 C ATOM 2165 O LEU A 143 94.607 16.754 6.557 1.00 0.13 O ATOM 2166 CB LEU A 143 95.166 17.082 9.589 1.00 0.12 C ATOM 2167 CG LEU A 143 95.205 18.166 10.667 1.00 0.13 C ATOM 2168 CD1 LEU A 143 96.341 17.869 11.649 1.00 0.12 C ATOM 2169 CD2 LEU A 143 95.442 19.528 10.011 1.00 0.14 C ATOM 0 H LEU A 143 93.011 16.495 10.555 1.00 0.14 H new ATOM 0 HA LEU A 143 93.709 18.228 8.431 1.00 0.13 H new ATOM 0 HB2 LEU A 143 95.224 16.095 10.048 1.00 0.12 H new ATOM 0 HB3 LEU A 143 96.029 17.178 8.930 1.00 0.12 H new ATOM 0 HG LEU A 143 94.256 18.180 11.203 1.00 0.13 H new ATOM 0 HD11 LEU A 143 96.369 18.642 12.417 1.00 0.12 H new ATOM 0 HD12 LEU A 143 96.174 16.898 12.116 1.00 0.12 H new ATOM 0 HD13 LEU A 143 97.290 17.855 11.114 1.00 0.12 H new ATOM 0 HD21 LEU A 143 95.470 20.302 10.778 1.00 0.14 H new ATOM 0 HD22 LEU A 143 96.391 19.514 9.475 1.00 0.14 H new ATOM 0 HD23 LEU A 143 94.634 19.740 9.311 1.00 0.14 H new ATOM 2181 N LEU A 144 93.419 15.126 7.561 1.00 0.12 N ATOM 2182 CA LEU A 144 93.487 14.259 6.393 1.00 0.12 C ATOM 2183 C LEU A 144 92.146 14.106 5.696 1.00 0.13 C ATOM 2184 O LEU A 144 92.038 13.354 4.727 1.00 0.13 O ATOM 2185 CB LEU A 144 93.980 12.879 6.828 1.00 0.11 C ATOM 2186 CG LEU A 144 95.388 12.998 7.411 1.00 0.10 C ATOM 2187 CD1 LEU A 144 95.845 11.636 7.929 1.00 0.09 C ATOM 2188 CD2 LEU A 144 96.350 13.476 6.320 1.00 0.10 C ATOM 0 H LEU A 144 92.919 14.734 8.359 1.00 0.12 H new ATOM 0 HA LEU A 144 94.173 14.720 5.683 1.00 0.12 H new ATOM 0 HB2 LEU A 144 93.303 12.457 7.570 1.00 0.11 H new ATOM 0 HB3 LEU A 144 93.984 12.198 5.977 1.00 0.11 H new ATOM 0 HG LEU A 144 95.381 13.714 8.233 1.00 0.10 H new ATOM 0 HD11 LEU A 144 96.849 11.723 8.344 1.00 0.09 H new ATOM 0 HD12 LEU A 144 95.160 11.293 8.704 1.00 0.09 H new ATOM 0 HD13 LEU A 144 95.853 10.919 7.108 1.00 0.09 H new ATOM 0 HD21 LEU A 144 97.355 13.562 6.733 1.00 0.10 H new ATOM 0 HD22 LEU A 144 96.355 12.759 5.499 1.00 0.10 H new ATOM 0 HD23 LEU A 144 96.026 14.449 5.950 1.00 0.10 H new ATOM 2200 N ALA A 145 91.128 14.865 6.086 1.00 0.14 N ATOM 2201 CA ALA A 145 89.792 14.765 5.514 1.00 0.15 C ATOM 2202 C ALA A 145 89.649 15.379 4.132 1.00 0.16 C ATOM 2203 O ALA A 145 88.776 14.965 3.358 1.00 0.16 O ATOM 2204 CB ALA A 145 88.805 15.450 6.458 1.00 0.16 C ATOM 0 H ALA A 145 91.209 15.574 6.815 1.00 0.14 H new ATOM 0 HA ALA A 145 89.587 13.701 5.398 1.00 0.15 H new ATOM 0 HB1 ALA A 145 87.799 15.384 6.043 1.00 0.16 H new ATOM 0 HB2 ALA A 145 88.830 14.958 7.430 1.00 0.16 H new ATOM 0 HB3 ALA A 145 89.081 16.498 6.575 1.00 0.16 H new ATOM 2210 N GLY A 146 90.483 16.352 3.792 1.00 0.16 N ATOM 2211 CA GLY A 146 90.428 17.001 2.490 1.00 0.17 C ATOM 2212 C GLY A 146 91.138 16.196 1.416 1.00 0.16 C ATOM 2213 O GLY A 146 90.987 16.458 0.220 1.00 0.17 O ATOM 0 H GLY A 146 91.213 16.712 4.407 1.00 0.16 H new ATOM 0 HA2 GLY A 146 89.387 17.147 2.203 1.00 0.17 H new ATOM 0 HA3 GLY A 146 90.881 17.990 2.560 1.00 0.17 H new ATOM 2217 N ARG A 147 91.861 15.148 1.780 1.00 0.15 N ATOM 2218 CA ARG A 147 92.585 14.273 0.883 1.00 0.15 C ATOM 2219 C ARG A 147 91.817 13.851 -0.371 1.00 0.15 C ATOM 2220 CB ARG A 147 92.987 13.015 1.651 1.00 0.13 C ATOM 2221 CG ARG A 147 91.731 12.275 2.117 1.00 0.13 C ATOM 2222 CD ARG A 147 92.133 11.078 2.980 1.00 0.12 C ATOM 2223 NE ARG A 147 90.915 10.471 3.583 1.00 0.12 N ATOM 2224 CZ ARG A 147 89.921 11.230 3.957 1.00 0.13 C ATOM 2225 NH1 ARG A 147 89.997 12.524 3.801 1.00 0.14 N ATOM 2226 NH2 ARG A 147 88.854 10.697 4.487 1.00 0.13 N ATOM 0 H ARG A 147 91.961 14.875 2.758 1.00 0.15 H new ATOM 0 HA ARG A 147 93.443 14.847 0.532 1.00 0.15 H new ATOM 0 HB2 ARG A 147 93.589 12.366 1.016 1.00 0.13 H new ATOM 0 HB3 ARG A 147 93.604 13.282 2.509 1.00 0.13 H new ATOM 0 HG2 ARG A 147 91.090 12.948 2.686 1.00 0.13 H new ATOM 0 HG3 ARG A 147 91.154 11.938 1.256 1.00 0.13 H new ATOM 0 HD2 ARG A 147 92.659 10.340 2.375 1.00 0.12 H new ATOM 0 HD3 ARG A 147 92.821 11.396 3.764 1.00 0.12 H new ATOM 0 HE ARG A 147 90.857 9.460 3.704 1.00 0.12 H new ATOM 0 HH11 ARG A 147 90.832 12.940 3.388 1.00 0.14 H new ATOM 0 HH12 ARG A 147 89.222 13.119 4.092 1.00 0.14 H new ATOM 0 HH21 ARG A 147 88.796 9.686 4.609 1.00 0.13 H new ATOM 0 HH22 ARG A 147 88.078 11.291 4.779 1.00 0.13 H new TER 2240 ARG A 147 ATOM 2241 N SER B 375 109.983 15.215 -32.076 1.00 0.20 N ATOM 2242 CA SER B 375 110.706 14.609 -30.963 1.00 0.19 C ATOM 2243 C SER B 375 110.962 15.640 -29.864 1.00 0.18 C ATOM 2244 O SER B 375 112.018 16.267 -29.812 1.00 0.19 O ATOM 2245 CB SER B 375 112.028 14.022 -31.474 1.00 0.20 C ATOM 2246 OG SER B 375 111.898 12.609 -31.582 1.00 0.19 O ATOM 0 HA SER B 375 110.102 13.808 -30.536 1.00 0.19 H new ATOM 0 HB2 SER B 375 112.281 14.452 -32.443 1.00 0.20 H new ATOM 0 HB3 SER B 375 112.840 14.274 -30.792 1.00 0.20 H new ATOM 0 HG SER B 375 112.739 12.227 -31.910 1.00 0.19 H new ATOM 2252 N HIS B 376 109.959 15.832 -29.009 1.00 0.18 N ATOM 2253 CA HIS B 376 110.041 16.816 -27.926 1.00 0.17 C ATOM 2254 C HIS B 376 110.088 16.143 -26.551 1.00 0.15 C ATOM 2255 O HIS B 376 109.214 15.343 -26.227 1.00 0.15 O ATOM 2256 CB HIS B 376 108.792 17.713 -27.989 1.00 0.18 C ATOM 2257 CG HIS B 376 109.151 19.128 -28.349 1.00 0.19 C ATOM 2258 ND1 HIS B 376 109.600 20.029 -27.397 1.00 0.18 N ATOM 2259 CD2 HIS B 376 109.099 19.819 -29.530 1.00 0.20 C ATOM 2260 CE1 HIS B 376 109.793 21.207 -28.017 1.00 0.19 C ATOM 2261 NE2 HIS B 376 109.504 21.135 -29.318 1.00 0.21 N ATOM 0 H HIS B 376 109.078 15.319 -29.044 1.00 0.18 H new ATOM 0 HA HIS B 376 110.956 17.394 -28.055 1.00 0.17 H new ATOM 0 HB2 HIS B 376 108.093 17.315 -28.724 1.00 0.18 H new ATOM 0 HB3 HIS B 376 108.283 17.699 -27.025 1.00 0.18 H new ATOM 0 HD2 HIS B 376 108.791 19.407 -30.480 1.00 0.20 H new ATOM 0 HE1 HIS B 376 110.140 22.102 -27.522 1.00 0.19 H new ATOM 0 HE2 HIS B 376 109.566 21.883 -30.009 1.00 0.21 H new ATOM 2269 N VAL B 377 111.079 16.492 -25.728 1.00 0.15 N ATOM 2270 CA VAL B 377 111.153 15.954 -24.376 1.00 0.13 C ATOM 2271 C VAL B 377 109.992 16.488 -23.538 1.00 0.13 C ATOM 2272 O VAL B 377 109.947 17.678 -23.220 1.00 0.13 O ATOM 2273 CB VAL B 377 112.469 16.373 -23.712 1.00 0.12 C ATOM 2274 CG1 VAL B 377 112.526 15.811 -22.289 1.00 0.11 C ATOM 2275 CG2 VAL B 377 113.654 15.841 -24.527 1.00 0.13 C ATOM 0 H VAL B 377 111.831 17.137 -25.973 1.00 0.15 H new ATOM 0 HA VAL B 377 111.100 14.867 -24.435 1.00 0.13 H new ATOM 0 HB VAL B 377 112.523 17.461 -23.673 1.00 0.12 H new ATOM 0 HG11 VAL B 377 113.462 16.109 -21.817 1.00 0.11 H new ATOM 0 HG12 VAL B 377 111.688 16.200 -21.710 1.00 0.11 H new ATOM 0 HG13 VAL B 377 112.468 14.723 -22.325 1.00 0.11 H new ATOM 0 HG21 VAL B 377 114.587 16.142 -24.051 1.00 0.13 H new ATOM 0 HG22 VAL B 377 113.604 14.753 -24.574 1.00 0.13 H new ATOM 0 HG23 VAL B 377 113.614 16.250 -25.537 1.00 0.13 H new ATOM 2285 N ARG B 378 109.066 15.610 -23.169 1.00 0.12 N ATOM 2286 CA ARG B 378 107.928 16.033 -22.346 1.00 0.12 C ATOM 2287 C ARG B 378 107.548 14.954 -21.342 1.00 0.11 C ATOM 2288 O ARG B 378 106.587 15.124 -20.591 1.00 0.11 O ATOM 2289 CB ARG B 378 106.695 16.351 -23.228 1.00 0.13 C ATOM 2290 CG ARG B 378 107.017 16.075 -24.694 1.00 0.14 C ATOM 2291 CD ARG B 378 105.872 16.549 -25.594 1.00 0.16 C ATOM 2292 NE ARG B 378 105.006 15.432 -25.958 1.00 0.16 N ATOM 2293 CZ ARG B 378 103.873 15.649 -26.612 1.00 0.17 C ATOM 2294 NH1 ARG B 378 103.558 16.869 -26.962 1.00 0.18 N ATOM 2295 NH2 ARG B 378 103.087 14.655 -26.932 1.00 0.17 N ATOM 0 H ARG B 378 109.074 14.621 -23.418 1.00 0.12 H new ATOM 0 HA ARG B 378 108.234 16.932 -21.811 1.00 0.12 H new ATOM 0 HB2 ARG B 378 105.846 15.744 -22.913 1.00 0.13 H new ATOM 0 HB3 ARG B 378 106.406 17.394 -23.101 1.00 0.13 H new ATOM 0 HG2 ARG B 378 107.940 16.584 -24.972 1.00 0.14 H new ATOM 0 HG3 ARG B 378 107.185 15.008 -24.841 1.00 0.14 H new ATOM 0 HD2 ARG B 378 105.291 17.314 -25.079 1.00 0.16 H new ATOM 0 HD3 ARG B 378 106.278 17.010 -26.495 1.00 0.16 H new ATOM 0 HE ARG B 378 105.274 14.480 -25.708 1.00 0.16 H new ATOM 0 HH11 ARG B 378 104.181 17.643 -26.732 1.00 0.18 H new ATOM 0 HH12 ARG B 378 102.689 17.047 -27.465 1.00 0.18 H new ATOM 0 HH21 ARG B 378 103.343 13.701 -26.679 1.00 0.17 H new ATOM 0 HH22 ARG B 378 102.218 14.834 -27.435 1.00 0.17 H new ATOM 2309 N LYS B 379 108.225 13.815 -21.395 1.00 0.10 N ATOM 2310 CA LYS B 379 107.843 12.699 -20.550 1.00 0.09 C ATOM 2311 C LYS B 379 108.890 12.397 -19.495 1.00 0.07 C ATOM 2312 O LYS B 379 110.043 12.101 -19.796 1.00 0.07 O ATOM 2313 CB LYS B 379 107.599 11.473 -21.438 1.00 0.09 C ATOM 2314 CG LYS B 379 106.448 10.643 -20.862 1.00 0.09 C ATOM 2315 CD LYS B 379 106.059 9.545 -21.845 1.00 0.09 C ATOM 2316 CE LYS B 379 104.974 8.669 -21.205 1.00 0.09 C ATOM 2317 NZ LYS B 379 104.087 8.120 -22.265 1.00 0.10 N ATOM 0 H LYS B 379 109.026 13.643 -22.003 1.00 0.10 H new ATOM 0 HA LYS B 379 106.931 12.963 -20.015 1.00 0.09 H new ATOM 0 HB2 LYS B 379 107.360 11.789 -22.454 1.00 0.09 H new ATOM 0 HB3 LYS B 379 108.504 10.868 -21.496 1.00 0.09 H new ATOM 0 HG2 LYS B 379 106.746 10.203 -19.910 1.00 0.09 H new ATOM 0 HG3 LYS B 379 105.590 11.285 -20.661 1.00 0.09 H new ATOM 0 HD2 LYS B 379 105.692 9.983 -22.773 1.00 0.09 H new ATOM 0 HD3 LYS B 379 106.930 8.941 -22.100 1.00 0.09 H new ATOM 0 HE2 LYS B 379 105.433 7.855 -20.644 1.00 0.09 H new ATOM 0 HE3 LYS B 379 104.390 9.256 -20.496 1.00 0.09 H new ATOM 0 HZ1 LYS B 379 103.352 7.527 -21.830 1.00 0.10 H new ATOM 0 HZ2 LYS B 379 103.638 8.903 -22.782 1.00 0.10 H new ATOM 0 HZ3 LYS B 379 104.649 7.546 -22.925 1.00 0.10 H new ATOM 2331 N ILE B 380 108.441 12.448 -18.250 1.00 0.07 N ATOM 2332 CA ILE B 380 109.296 12.165 -17.113 1.00 0.05 C ATOM 2333 C ILE B 380 108.662 11.070 -16.270 1.00 0.05 C ATOM 2334 O ILE B 380 107.489 11.158 -15.871 1.00 0.06 O ATOM 2335 CB ILE B 380 109.485 13.434 -16.275 1.00 0.06 C ATOM 2336 CG1 ILE B 380 110.246 14.469 -17.094 1.00 0.06 C ATOM 2337 CG2 ILE B 380 110.263 13.114 -15.009 1.00 0.04 C ATOM 2338 CD1 ILE B 380 110.037 15.845 -16.513 1.00 0.07 C ATOM 0 H ILE B 380 107.480 12.685 -18.003 1.00 0.07 H new ATOM 0 HA ILE B 380 110.272 11.830 -17.464 1.00 0.05 H new ATOM 0 HB ILE B 380 108.508 13.829 -15.998 1.00 0.06 H new ATOM 0 HG12 ILE B 380 111.309 14.227 -17.103 1.00 0.06 H new ATOM 0 HG13 ILE B 380 109.905 14.447 -18.129 1.00 0.06 H new ATOM 0 HG21 ILE B 380 110.391 14.023 -14.421 1.00 0.04 H new ATOM 0 HG22 ILE B 380 109.715 12.377 -14.422 1.00 0.04 H new ATOM 0 HG23 ILE B 380 111.241 12.713 -15.275 1.00 0.04 H new ATOM 0 HD11 ILE B 380 110.585 16.577 -17.106 1.00 0.07 H new ATOM 0 HD12 ILE B 380 108.975 16.088 -16.527 1.00 0.07 H new ATOM 0 HD13 ILE B 380 110.400 15.865 -15.485 1.00 0.07 H new ATOM 2350 N ILE B 381 109.435 10.028 -16.009 1.00 0.04 N ATOM 2351 CA ILE B 381 108.945 8.905 -15.231 1.00 0.05 C ATOM 2352 C ILE B 381 109.976 8.493 -14.204 1.00 0.04 C ATOM 2353 O ILE B 381 111.173 8.425 -14.494 1.00 0.04 O ATOM 2354 CB ILE B 381 108.621 7.733 -16.163 1.00 0.05 C ATOM 2355 CG1 ILE B 381 107.763 6.704 -15.415 1.00 0.06 C ATOM 2356 CG2 ILE B 381 109.921 7.069 -16.641 1.00 0.05 C ATOM 2357 CD1 ILE B 381 107.137 5.706 -16.398 1.00 0.06 C ATOM 0 H ILE B 381 110.401 9.938 -16.324 1.00 0.04 H new ATOM 0 HA ILE B 381 108.036 9.202 -14.707 1.00 0.05 H new ATOM 0 HB ILE B 381 108.072 8.105 -17.028 1.00 0.05 H new ATOM 0 HG12 ILE B 381 108.376 6.171 -14.688 1.00 0.06 H new ATOM 0 HG13 ILE B 381 106.978 7.214 -14.857 1.00 0.06 H new ATOM 0 HG21 ILE B 381 109.682 6.237 -17.303 1.00 0.05 H new ATOM 0 HG22 ILE B 381 110.526 7.799 -17.179 1.00 0.05 H new ATOM 0 HG23 ILE B 381 110.479 6.700 -15.780 1.00 0.05 H new ATOM 0 HD11 ILE B 381 106.532 4.985 -15.848 1.00 0.06 H new ATOM 0 HD12 ILE B 381 106.507 6.241 -17.108 1.00 0.06 H new ATOM 0 HD13 ILE B 381 107.927 5.182 -16.937 1.00 0.06 H new ATOM 2369 N VAL B 382 109.508 8.214 -12.993 1.00 0.05 N ATOM 2370 CA VAL B 382 110.400 7.795 -11.923 1.00 0.06 C ATOM 2371 C VAL B 382 110.238 6.299 -11.695 1.00 0.07 C ATOM 2372 O VAL B 382 109.117 5.797 -11.602 1.00 0.07 O ATOM 2373 CB VAL B 382 110.069 8.555 -10.637 1.00 0.06 C ATOM 2374 CG1 VAL B 382 110.915 8.002 -9.478 1.00 0.07 C ATOM 2375 CG2 VAL B 382 110.359 10.060 -10.829 1.00 0.05 C ATOM 0 H VAL B 382 108.524 8.270 -12.730 1.00 0.05 H new ATOM 0 HA VAL B 382 111.430 8.013 -12.203 1.00 0.06 H new ATOM 0 HB VAL B 382 109.012 8.424 -10.403 1.00 0.06 H new ATOM 0 HG11 VAL B 382 110.678 8.545 -8.563 1.00 0.07 H new ATOM 0 HG12 VAL B 382 110.695 6.944 -9.340 1.00 0.07 H new ATOM 0 HG13 VAL B 382 111.973 8.125 -9.709 1.00 0.07 H new ATOM 0 HG21 VAL B 382 110.122 10.596 -9.910 1.00 0.05 H new ATOM 0 HG22 VAL B 382 111.413 10.200 -11.069 1.00 0.05 H new ATOM 0 HG23 VAL B 382 109.747 10.447 -11.644 1.00 0.05 H new ATOM 2385 N ALA B 383 111.351 5.581 -11.598 1.00 0.07 N ATOM 2386 CA ALA B 383 111.284 4.139 -11.384 1.00 0.08 C ATOM 2387 C ALA B 383 112.082 3.709 -10.161 1.00 0.10 C ATOM 2388 O ALA B 383 113.007 4.392 -9.724 1.00 0.10 O ATOM 2389 CB ALA B 383 111.804 3.406 -12.611 1.00 0.09 C ATOM 0 H ALA B 383 112.294 5.964 -11.663 1.00 0.07 H new ATOM 0 HA ALA B 383 110.239 3.883 -11.212 1.00 0.08 H new ATOM 0 HB1 ALA B 383 111.750 2.330 -12.442 1.00 0.09 H new ATOM 0 HB2 ALA B 383 111.196 3.668 -13.477 1.00 0.09 H new ATOM 0 HB3 ALA B 383 112.839 3.693 -12.795 1.00 0.09 H new HETATM 2395 N SEP B 384 111.709 2.549 -9.620 1.00 0.11 N HETATM 2396 CA SEP B 384 112.381 2.003 -8.449 1.00 0.12 C HETATM 2397 CB SEP B 384 111.758 2.522 -7.154 1.00 0.12 C HETATM 2398 OG SEP B 384 110.643 1.661 -6.804 1.00 0.13 O HETATM 2399 C SEP B 384 112.279 0.480 -8.457 1.00 0.13 C HETATM 2400 O SEP B 384 111.673 -0.105 -9.354 1.00 0.13 O HETATM 2401 P SEP B 384 110.169 2.168 -5.312 1.00 0.15 P HETATM 2402 O1P SEP B 384 109.728 3.621 -5.383 1.00 0.65 O HETATM 2403 O2P SEP B 384 109.014 1.313 -4.829 1.00 0.66 O HETATM 2404 O3P SEP B 384 111.331 2.039 -4.339 1.00 0.67 O HETATM 0 HB3 SEP B 384 112.498 2.529 -6.353 1.00 0.12 H new HETATM 0 HB2 SEP B 384 111.418 3.550 -7.282 1.00 0.12 H new HETATM 0 HA SEP B 384 113.424 2.318 -8.492 1.00 0.12 H new ATOM 2409 N ASP B 385 112.834 -0.160 -7.427 1.00 0.15 N ATOM 2410 CA ASP B 385 112.780 -1.613 -7.310 1.00 0.16 C ATOM 2411 C ASP B 385 111.351 -2.107 -7.420 1.00 0.16 C ATOM 2412 O ASP B 385 111.023 -2.908 -8.298 1.00 0.16 O ATOM 2413 CB ASP B 385 113.333 -2.061 -5.954 1.00 0.17 C ATOM 2414 CG ASP B 385 114.843 -1.912 -5.915 1.00 0.99 C ATOM 2415 OD1 ASP B 385 115.432 -1.859 -6.971 1.00 1.62 O ATOM 2416 OD2 ASP B 385 115.385 -1.852 -4.824 1.00 1.35 O ATOM 0 H ASP B 385 113.325 0.306 -6.664 1.00 0.15 H new ATOM 0 HA ASP B 385 113.381 -2.030 -8.118 1.00 0.16 H new ATOM 0 HB2 ASP B 385 112.883 -1.467 -5.158 1.00 0.17 H new ATOM 0 HB3 ASP B 385 113.060 -3.100 -5.770 1.00 0.17 H new ATOM 2421 N ALA B 386 110.496 -1.634 -6.522 1.00 0.16 N ATOM 2422 CA ALA B 386 109.103 -2.040 -6.527 1.00 0.16 C ATOM 2423 C ALA B 386 108.231 -0.960 -7.158 1.00 0.15 C ATOM 2424 O ALA B 386 107.108 -1.232 -7.572 1.00 0.14 O ATOM 2425 CB ALA B 386 108.643 -2.310 -5.094 1.00 0.17 C ATOM 0 H ALA B 386 110.744 -0.973 -5.786 1.00 0.16 H new ATOM 0 HA ALA B 386 109.005 -2.951 -7.118 1.00 0.16 H new ATOM 0 HB1 ALA B 386 107.597 -2.615 -5.099 1.00 0.17 H new ATOM 0 HB2 ALA B 386 109.250 -3.105 -4.661 1.00 0.17 H new ATOM 0 HB3 ALA B 386 108.754 -1.403 -4.499 1.00 0.17 H new ATOM 2431 N GLY B 387 108.758 0.261 -7.251 1.00 0.14 N ATOM 2432 CA GLY B 387 107.995 1.355 -7.842 1.00 0.13 C ATOM 2433 C GLY B 387 106.747 1.632 -7.022 1.00 0.13 C ATOM 2434 O GLY B 387 105.707 2.010 -7.561 1.00 0.13 O ATOM 0 H GLY B 387 109.693 0.513 -6.931 1.00 0.14 H new ATOM 0 HA2 GLY B 387 108.612 2.252 -7.892 1.00 0.13 H new ATOM 0 HA3 GLY B 387 107.717 1.102 -8.865 1.00 0.13 H new ATOM 2438 N MET B 388 106.848 1.423 -5.716 1.00 0.14 N ATOM 2439 CA MET B 388 105.700 1.645 -4.842 1.00 0.15 C ATOM 2440 C MET B 388 106.095 2.383 -3.574 1.00 0.16 C ATOM 2441 O MET B 388 105.314 2.455 -2.629 1.00 0.17 O ATOM 2442 CB MET B 388 105.073 0.300 -4.487 1.00 0.16 C ATOM 2443 CG MET B 388 104.379 -0.241 -5.738 1.00 0.15 C ATOM 2444 SD MET B 388 103.548 -1.803 -5.361 1.00 0.15 S ATOM 2445 CE MET B 388 104.933 -2.925 -5.647 1.00 1.22 C ATOM 0 H MET B 388 107.695 1.106 -5.244 1.00 0.14 H new ATOM 0 HA MET B 388 104.979 2.266 -5.373 1.00 0.15 H new ATOM 0 HB2 MET B 388 105.836 -0.398 -4.143 1.00 0.16 H new ATOM 0 HB3 MET B 388 104.357 0.416 -3.674 1.00 0.16 H new ATOM 0 HG2 MET B 388 103.654 0.486 -6.105 1.00 0.15 H new ATOM 0 HG3 MET B 388 105.110 -0.391 -6.533 1.00 0.15 H new ATOM 0 HE1 MET B 388 104.648 -3.673 -6.387 1.00 1.22 H new ATOM 0 HE2 MET B 388 105.789 -2.360 -6.014 1.00 1.22 H new ATOM 0 HE3 MET B 388 105.199 -3.420 -4.713 1.00 1.22 H new ATOM 2455 N GLY B 389 107.316 2.900 -3.533 1.00 0.15 N ATOM 2456 CA GLY B 389 107.785 3.608 -2.345 1.00 0.16 C ATOM 2457 C GLY B 389 108.390 4.953 -2.716 1.00 0.15 C ATOM 2458 O GLY B 389 107.671 5.917 -2.976 1.00 0.15 O ATOM 0 H GLY B 389 107.992 2.845 -4.295 1.00 0.15 H new ATOM 0 HA2 GLY B 389 106.955 3.757 -1.654 1.00 0.16 H new ATOM 0 HA3 GLY B 389 108.527 3.002 -1.825 1.00 0.16 H new ATOM 2462 N SER B 390 109.719 5.016 -2.726 1.00 0.15 N ATOM 2463 CA SER B 390 110.421 6.252 -3.048 1.00 0.14 C ATOM 2464 C SER B 390 109.912 6.864 -4.347 1.00 0.13 C ATOM 2465 O SER B 390 109.883 8.084 -4.495 1.00 0.12 O ATOM 2466 CB SER B 390 111.910 5.957 -3.173 1.00 0.14 C ATOM 2467 OG SER B 390 112.108 4.983 -4.190 1.00 0.14 O ATOM 0 H SER B 390 110.329 4.226 -2.515 1.00 0.15 H new ATOM 0 HA SER B 390 110.240 6.970 -2.248 1.00 0.14 H new ATOM 0 HB2 SER B 390 112.455 6.869 -3.415 1.00 0.14 H new ATOM 0 HB3 SER B 390 112.302 5.594 -2.223 1.00 0.14 H new ATOM 0 HG SER B 390 111.800 4.109 -3.871 1.00 0.14 H new ATOM 2473 N SER B 391 109.543 6.015 -5.292 1.00 0.12 N ATOM 2474 CA SER B 391 109.064 6.494 -6.588 1.00 0.11 C ATOM 2475 C SER B 391 107.851 7.400 -6.416 1.00 0.11 C ATOM 2476 O SER B 391 107.643 8.322 -7.209 1.00 0.10 O ATOM 2477 CB SER B 391 108.678 5.314 -7.479 1.00 0.11 C ATOM 2478 OG SER B 391 107.663 4.555 -6.836 1.00 0.12 O ATOM 0 H SER B 391 109.563 5.000 -5.193 1.00 0.12 H new ATOM 0 HA SER B 391 109.871 7.059 -7.054 1.00 0.11 H new ATOM 0 HB2 SER B 391 108.323 5.673 -8.445 1.00 0.11 H new ATOM 0 HB3 SER B 391 109.549 4.688 -7.672 1.00 0.11 H new ATOM 0 HG SER B 391 108.064 3.998 -6.137 1.00 0.12 H new ATOM 2484 N ALA B 392 107.038 7.123 -5.403 1.00 0.12 N ATOM 2485 CA ALA B 392 105.821 7.889 -5.164 1.00 0.13 C ATOM 2486 C ALA B 392 106.132 9.334 -4.756 1.00 0.13 C ATOM 2487 O ALA B 392 105.495 10.270 -5.231 1.00 0.12 O ATOM 2488 CB ALA B 392 105.019 7.224 -4.052 1.00 0.14 C ATOM 0 H ALA B 392 107.200 6.372 -4.733 1.00 0.12 H new ATOM 0 HA ALA B 392 105.250 7.911 -6.092 1.00 0.13 H new ATOM 0 HB1 ALA B 392 104.108 7.794 -3.870 1.00 0.14 H new ATOM 0 HB2 ALA B 392 104.759 6.208 -4.349 1.00 0.14 H new ATOM 0 HB3 ALA B 392 105.616 7.194 -3.141 1.00 0.14 H new ATOM 2494 N MET B 393 107.111 9.499 -3.880 1.00 0.13 N ATOM 2495 CA MET B 393 107.473 10.833 -3.409 1.00 0.13 C ATOM 2496 C MET B 393 108.197 11.621 -4.498 1.00 0.12 C ATOM 2497 O MET B 393 107.832 12.760 -4.797 1.00 0.12 O ATOM 2498 CB MET B 393 108.356 10.740 -2.160 1.00 0.14 C ATOM 2499 CG MET B 393 108.843 12.137 -1.742 1.00 0.16 C ATOM 2500 SD MET B 393 107.431 13.225 -1.407 1.00 0.16 S ATOM 2501 CE MET B 393 106.988 12.556 0.214 1.00 0.14 C ATOM 0 H MET B 393 107.664 8.739 -3.483 1.00 0.13 H new ATOM 0 HA MET B 393 106.552 11.359 -3.156 1.00 0.13 H new ATOM 0 HB2 MET B 393 107.795 10.284 -1.344 1.00 0.14 H new ATOM 0 HB3 MET B 393 109.211 10.094 -2.359 1.00 0.14 H new ATOM 0 HG2 MET B 393 109.470 12.060 -0.853 1.00 0.16 H new ATOM 0 HG3 MET B 393 109.461 12.565 -2.531 1.00 0.16 H new ATOM 0 HE1 MET B 393 106.234 13.192 0.676 1.00 0.14 H new ATOM 0 HE2 MET B 393 106.589 11.548 0.095 1.00 0.14 H new ATOM 0 HE3 MET B 393 107.874 12.523 0.849 1.00 0.14 H new ATOM 2511 N GLY B 394 109.202 10.998 -5.105 1.00 0.11 N ATOM 2512 CA GLY B 394 109.945 11.636 -6.185 1.00 0.09 C ATOM 2513 C GLY B 394 108.994 12.166 -7.248 1.00 0.09 C ATOM 2514 O GLY B 394 109.119 13.305 -7.696 1.00 0.08 O ATOM 0 H GLY B 394 109.519 10.058 -4.869 1.00 0.11 H new ATOM 0 HA2 GLY B 394 110.546 12.453 -5.787 1.00 0.09 H new ATOM 0 HA3 GLY B 394 110.636 10.920 -6.631 1.00 0.09 H new ATOM 2518 N ALA B 395 108.049 11.326 -7.645 1.00 0.09 N ATOM 2519 CA ALA B 395 107.072 11.696 -8.659 1.00 0.09 C ATOM 2520 C ALA B 395 106.241 12.908 -8.247 1.00 0.10 C ATOM 2521 O ALA B 395 106.032 13.822 -9.039 1.00 0.10 O ATOM 2522 CB ALA B 395 106.146 10.503 -8.930 1.00 0.09 C ATOM 0 H ALA B 395 107.938 10.380 -7.279 1.00 0.09 H new ATOM 0 HA ALA B 395 107.618 11.968 -9.563 1.00 0.09 H new ATOM 0 HB1 ALA B 395 105.413 10.776 -9.689 1.00 0.09 H new ATOM 0 HB2 ALA B 395 106.736 9.657 -9.283 1.00 0.09 H new ATOM 0 HB3 ALA B 395 105.630 10.226 -8.010 1.00 0.09 H new ATOM 2528 N GLY B 396 105.725 12.882 -7.019 1.00 0.11 N ATOM 2529 CA GLY B 396 104.859 13.954 -6.542 1.00 0.12 C ATOM 2530 C GLY B 396 105.554 15.310 -6.549 1.00 0.12 C ATOM 2531 O GLY B 396 104.999 16.297 -7.025 1.00 0.12 O ATOM 0 H GLY B 396 105.891 12.136 -6.343 1.00 0.11 H new ATOM 0 HA2 GLY B 396 103.968 14.003 -7.168 1.00 0.12 H new ATOM 0 HA3 GLY B 396 104.526 13.725 -5.530 1.00 0.12 H new ATOM 2535 N VAL B 397 106.756 15.364 -5.985 1.00 0.12 N ATOM 2536 CA VAL B 397 107.484 16.626 -5.903 1.00 0.12 C ATOM 2537 C VAL B 397 107.812 17.167 -7.297 1.00 0.11 C ATOM 2538 O VAL B 397 107.579 18.343 -7.583 1.00 0.11 O ATOM 2539 CB VAL B 397 108.774 16.396 -5.105 1.00 0.11 C ATOM 2540 CG1 VAL B 397 109.690 17.613 -5.236 1.00 0.11 C ATOM 2541 CG2 VAL B 397 108.437 16.149 -3.618 1.00 0.13 C ATOM 0 H VAL B 397 107.241 14.562 -5.583 1.00 0.12 H new ATOM 0 HA VAL B 397 106.861 17.367 -5.403 1.00 0.12 H new ATOM 0 HB VAL B 397 109.286 15.520 -5.503 1.00 0.11 H new ATOM 0 HG11 VAL B 397 110.604 17.443 -4.667 1.00 0.11 H new ATOM 0 HG12 VAL B 397 109.939 17.769 -6.285 1.00 0.11 H new ATOM 0 HG13 VAL B 397 109.180 18.495 -4.849 1.00 0.11 H new ATOM 0 HG21 VAL B 397 109.358 15.987 -3.058 1.00 0.13 H new ATOM 0 HG22 VAL B 397 107.915 17.017 -3.214 1.00 0.13 H new ATOM 0 HG23 VAL B 397 107.799 15.269 -3.531 1.00 0.13 H new ATOM 2551 N LEU B 398 108.367 16.313 -8.149 1.00 0.09 N ATOM 2552 CA LEU B 398 108.728 16.740 -9.499 1.00 0.08 C ATOM 2553 C LEU B 398 107.494 17.211 -10.242 1.00 0.09 C ATOM 2554 O LEU B 398 107.503 18.232 -10.928 1.00 0.10 O ATOM 2555 CB LEU B 398 109.335 15.569 -10.275 1.00 0.07 C ATOM 2556 CG LEU B 398 110.792 15.359 -9.880 1.00 0.06 C ATOM 2557 CD1 LEU B 398 111.221 13.962 -10.342 1.00 0.05 C ATOM 2558 CD2 LEU B 398 111.679 16.428 -10.557 1.00 0.06 C ATOM 0 H LEU B 398 108.575 15.337 -7.937 1.00 0.09 H new ATOM 0 HA LEU B 398 109.451 17.552 -9.419 1.00 0.08 H new ATOM 0 HB2 LEU B 398 108.765 14.661 -10.078 1.00 0.07 H new ATOM 0 HB3 LEU B 398 109.267 15.762 -11.346 1.00 0.07 H new ATOM 0 HG LEU B 398 110.902 15.448 -8.799 1.00 0.06 H new ATOM 0 HD11 LEU B 398 112.262 13.792 -10.068 1.00 0.05 H new ATOM 0 HD12 LEU B 398 110.593 13.211 -9.863 1.00 0.05 H new ATOM 0 HD13 LEU B 398 111.114 13.888 -11.424 1.00 0.05 H new ATOM 0 HD21 LEU B 398 112.719 16.272 -10.271 1.00 0.06 H new ATOM 0 HD22 LEU B 398 111.585 16.346 -11.640 1.00 0.06 H new ATOM 0 HD23 LEU B 398 111.360 17.420 -10.239 1.00 0.06 H new ATOM 2570 N ARG B 399 106.441 16.434 -10.101 1.00 0.10 N ATOM 2571 CA ARG B 399 105.190 16.742 -10.760 1.00 0.11 C ATOM 2572 C ARG B 399 104.693 18.129 -10.376 1.00 0.12 C ATOM 2573 O ARG B 399 104.260 18.905 -11.224 1.00 0.13 O ATOM 2574 CB ARG B 399 104.141 15.714 -10.323 1.00 0.11 C ATOM 2575 CG ARG B 399 102.819 15.920 -11.076 1.00 0.13 C ATOM 2576 CD ARG B 399 101.686 15.272 -10.276 1.00 0.15 C ATOM 2577 NE ARG B 399 100.569 14.946 -11.158 1.00 1.28 N ATOM 2578 CZ ARG B 399 99.538 14.231 -10.724 1.00 1.88 C ATOM 2579 NH1 ARG B 399 99.444 13.929 -9.457 1.00 2.02 N ATOM 2580 NH2 ARG B 399 98.608 13.849 -11.556 1.00 2.95 N ATOM 0 H ARG B 399 106.426 15.585 -9.536 1.00 0.10 H new ATOM 0 HA ARG B 399 105.349 16.712 -11.838 1.00 0.11 H new ATOM 0 HB2 ARG B 399 104.515 14.707 -10.507 1.00 0.11 H new ATOM 0 HB3 ARG B 399 103.969 15.799 -9.250 1.00 0.11 H new ATOM 0 HG2 ARG B 399 102.624 16.984 -11.211 1.00 0.13 H new ATOM 0 HG3 ARG B 399 102.879 15.478 -12.071 1.00 0.13 H new ATOM 0 HD2 ARG B 399 102.048 14.368 -9.786 1.00 0.15 H new ATOM 0 HD3 ARG B 399 101.352 15.949 -9.490 1.00 0.15 H new ATOM 0 HE ARG B 399 100.581 15.273 -12.124 1.00 1.28 H new ATOM 0 HH11 ARG B 399 100.162 14.242 -8.803 1.00 2.02 H new ATOM 0 HH12 ARG B 399 98.653 13.380 -9.121 1.00 2.02 H new ATOM 0 HH21 ARG B 399 98.672 14.100 -12.543 1.00 2.95 H new ATOM 0 HH22 ARG B 399 97.817 13.300 -11.220 1.00 2.95 H new ATOM 2594 N LYS B 400 104.728 18.420 -9.084 1.00 0.13 N ATOM 2595 CA LYS B 400 104.250 19.699 -8.590 1.00 0.14 C ATOM 2596 C LYS B 400 105.053 20.851 -9.171 1.00 0.14 C ATOM 2597 O LYS B 400 104.488 21.866 -9.585 1.00 0.15 O ATOM 2598 CB LYS B 400 104.304 19.772 -7.051 1.00 0.15 C ATOM 2599 CG LYS B 400 103.442 18.651 -6.454 1.00 0.16 C ATOM 2600 CD LYS B 400 102.752 19.093 -5.160 1.00 1.00 C ATOM 2601 CE LYS B 400 101.935 17.903 -4.629 1.00 0.88 C ATOM 2602 NZ LYS B 400 100.822 18.382 -3.761 1.00 1.76 N ATOM 0 H LYS B 400 105.081 17.790 -8.363 1.00 0.13 H new ATOM 0 HA LYS B 400 103.212 19.787 -8.911 1.00 0.14 H new ATOM 0 HB2 LYS B 400 105.334 19.675 -6.708 1.00 0.15 H new ATOM 0 HB3 LYS B 400 103.944 20.743 -6.710 1.00 0.15 H new ATOM 0 HG2 LYS B 400 102.690 18.344 -7.181 1.00 0.16 H new ATOM 0 HG3 LYS B 400 104.066 17.780 -6.254 1.00 0.16 H new ATOM 0 HD2 LYS B 400 103.490 19.408 -4.423 1.00 1.00 H new ATOM 0 HD3 LYS B 400 102.103 19.948 -5.347 1.00 1.00 H new ATOM 0 HE2 LYS B 400 101.532 17.329 -5.464 1.00 0.88 H new ATOM 0 HE3 LYS B 400 102.583 17.233 -4.064 1.00 0.88 H new ATOM 0 HZ1 LYS B 400 100.911 17.957 -2.816 1.00 1.76 H new ATOM 0 HZ2 LYS B 400 100.866 19.418 -3.680 1.00 1.76 H new ATOM 0 HZ3 LYS B 400 99.911 18.106 -4.180 1.00 1.76 H new ATOM 2616 N LYS B 401 106.365 20.704 -9.183 1.00 0.13 N ATOM 2617 CA LYS B 401 107.218 21.762 -9.698 1.00 0.13 C ATOM 2618 C LYS B 401 106.929 22.015 -11.173 1.00 0.13 C ATOM 2619 O LYS B 401 106.883 23.160 -11.623 1.00 0.14 O ATOM 2620 CB LYS B 401 108.681 21.384 -9.531 1.00 0.11 C ATOM 2621 CG LYS B 401 109.025 21.290 -8.043 1.00 0.12 C ATOM 2622 CD LYS B 401 110.486 20.859 -7.884 1.00 0.10 C ATOM 2623 CE LYS B 401 110.856 20.812 -6.392 1.00 0.11 C ATOM 2624 NZ LYS B 401 112.230 21.351 -6.204 1.00 0.10 N ATOM 0 H LYS B 401 106.858 19.877 -8.848 1.00 0.13 H new ATOM 0 HA LYS B 401 107.010 22.671 -9.133 1.00 0.13 H new ATOM 0 HB2 LYS B 401 108.878 20.430 -10.020 1.00 0.11 H new ATOM 0 HB3 LYS B 401 109.316 22.127 -10.014 1.00 0.11 H new ATOM 0 HG2 LYS B 401 108.864 22.254 -7.560 1.00 0.12 H new ATOM 0 HG3 LYS B 401 108.367 20.573 -7.551 1.00 0.12 H new ATOM 0 HD2 LYS B 401 110.637 19.879 -8.337 1.00 0.10 H new ATOM 0 HD3 LYS B 401 111.140 21.556 -8.408 1.00 0.10 H new ATOM 0 HE2 LYS B 401 110.142 21.396 -5.811 1.00 0.11 H new ATOM 0 HE3 LYS B 401 110.803 19.787 -6.025 1.00 0.11 H new ATOM 0 HZ1 LYS B 401 112.480 21.319 -5.195 1.00 0.10 H new ATOM 0 HZ2 LYS B 401 112.906 20.776 -6.747 1.00 0.10 H new ATOM 0 HZ3 LYS B 401 112.266 22.335 -6.539 1.00 0.10 H new ATOM 2638 N ILE B 402 106.750 20.938 -11.921 1.00 0.12 N ATOM 2639 CA ILE B 402 106.481 21.037 -13.353 1.00 0.12 C ATOM 2640 C ILE B 402 105.170 21.770 -13.610 1.00 0.14 C ATOM 2641 O ILE B 402 105.091 22.636 -14.483 1.00 0.15 O ATOM 2642 CB ILE B 402 106.404 19.625 -13.927 1.00 0.11 C ATOM 2643 CG1 ILE B 402 107.794 18.990 -13.888 1.00 0.10 C ATOM 2644 CG2 ILE B 402 105.901 19.649 -15.372 1.00 0.12 C ATOM 2645 CD1 ILE B 402 107.684 17.498 -14.224 1.00 0.09 C ATOM 0 H ILE B 402 106.785 19.983 -11.563 1.00 0.12 H new ATOM 0 HA ILE B 402 107.281 21.601 -13.833 1.00 0.12 H new ATOM 0 HB ILE B 402 105.705 19.043 -13.326 1.00 0.11 H new ATOM 0 HG12 ILE B 402 108.452 19.487 -14.601 1.00 0.10 H new ATOM 0 HG13 ILE B 402 108.237 19.120 -12.901 1.00 0.10 H new ATOM 0 HG21 ILE B 402 105.855 18.631 -15.758 1.00 0.12 H new ATOM 0 HG22 ILE B 402 104.907 20.094 -15.404 1.00 0.12 H new ATOM 0 HG23 ILE B 402 106.583 20.239 -15.985 1.00 0.12 H new ATOM 0 HD11 ILE B 402 108.675 17.045 -14.196 1.00 0.09 H new ATOM 0 HD12 ILE B 402 107.040 17.007 -13.494 1.00 0.09 H new ATOM 0 HD13 ILE B 402 107.259 17.380 -15.221 1.00 0.09 H new ATOM 2657 N GLN B 403 104.149 21.411 -12.846 1.00 0.14 N ATOM 2658 CA GLN B 403 102.844 22.037 -12.991 1.00 0.16 C ATOM 2659 C GLN B 403 102.924 23.514 -12.613 1.00 0.17 C ATOM 2660 O GLN B 403 102.328 24.371 -13.265 1.00 0.18 O ATOM 2661 CB GLN B 403 101.825 21.322 -12.096 1.00 0.16 C ATOM 2662 CG GLN B 403 101.792 19.816 -12.435 1.00 0.15 C ATOM 2663 CD GLN B 403 100.417 19.414 -12.967 1.00 0.16 C ATOM 2664 OE1 GLN B 403 99.400 19.940 -12.519 1.00 0.17 O ATOM 2665 NE2 GLN B 403 100.327 18.508 -13.902 1.00 0.15 N ATOM 0 H GLN B 403 104.198 20.693 -12.123 1.00 0.14 H new ATOM 0 HA GLN B 403 102.526 21.958 -14.031 1.00 0.16 H new ATOM 0 HB2 GLN B 403 102.088 21.462 -11.047 1.00 0.16 H new ATOM 0 HB3 GLN B 403 100.836 21.757 -12.237 1.00 0.16 H new ATOM 0 HG2 GLN B 403 102.556 19.588 -13.178 1.00 0.15 H new ATOM 0 HG3 GLN B 403 102.029 19.232 -11.545 1.00 0.15 H new ATOM 0 HE21 GLN B 403 101.171 18.072 -14.273 1.00 0.15 H new ATOM 0 HE22 GLN B 403 99.412 18.236 -14.262 1.00 0.15 H new ATOM 2674 N ASP B 404 103.684 23.799 -11.564 1.00 0.16 N ATOM 2675 CA ASP B 404 103.859 25.174 -11.108 1.00 0.17 C ATOM 2676 C ASP B 404 104.519 26.020 -12.197 1.00 0.18 C ATOM 2677 O ASP B 404 104.214 27.202 -12.350 1.00 0.19 O ATOM 2678 CB ASP B 404 104.728 25.178 -9.829 1.00 0.17 C ATOM 2679 CG ASP B 404 103.972 25.759 -8.625 1.00 0.18 C ATOM 2680 OD1 ASP B 404 102.875 26.256 -8.803 1.00 0.19 O ATOM 2681 OD2 ASP B 404 104.517 25.693 -7.535 1.00 0.18 O ATOM 0 H ASP B 404 104.187 23.102 -11.015 1.00 0.16 H new ATOM 0 HA ASP B 404 102.883 25.606 -10.887 1.00 0.17 H new ATOM 0 HB2 ASP B 404 105.045 24.160 -9.602 1.00 0.17 H new ATOM 0 HB3 ASP B 404 105.632 25.761 -10.006 1.00 0.17 H new ATOM 2686 N ALA B 405 105.451 25.413 -12.922 1.00 0.16 N ATOM 2687 CA ALA B 405 106.185 26.125 -13.964 1.00 0.17 C ATOM 2688 C ALA B 405 105.310 26.378 -15.194 1.00 0.18 C ATOM 2689 O ALA B 405 105.762 26.987 -16.161 1.00 0.18 O ATOM 2690 CB ALA B 405 107.428 25.319 -14.363 1.00 0.15 C ATOM 0 H ALA B 405 105.716 24.435 -12.809 1.00 0.16 H new ATOM 0 HA ALA B 405 106.487 27.093 -13.564 1.00 0.17 H new ATOM 0 HB1 ALA B 405 107.974 25.853 -15.141 1.00 0.15 H new ATOM 0 HB2 ALA B 405 108.071 25.188 -13.493 1.00 0.15 H new ATOM 0 HB3 ALA B 405 107.123 24.342 -14.739 1.00 0.15 H new ATOM 2696 N GLY B 406 104.055 25.948 -15.136 1.00 0.18 N ATOM 2697 CA GLY B 406 103.139 26.185 -16.250 1.00 0.19 C ATOM 2698 C GLY B 406 103.440 25.262 -17.422 1.00 0.18 C ATOM 2699 O GLY B 406 103.094 25.569 -18.564 1.00 0.19 O ATOM 0 H GLY B 406 103.652 25.443 -14.347 1.00 0.18 H new ATOM 0 HA2 GLY B 406 102.112 26.031 -15.918 1.00 0.19 H new ATOM 0 HA3 GLY B 406 103.217 27.223 -16.573 1.00 0.19 H new ATOM 2703 N LEU B 407 104.088 24.132 -17.148 1.00 0.17 N ATOM 2704 CA LEU B 407 104.425 23.191 -18.208 1.00 0.16 C ATOM 2705 C LEU B 407 103.400 22.063 -18.259 1.00 0.16 C ATOM 2706 O LEU B 407 103.735 20.895 -18.059 1.00 0.15 O ATOM 2707 CB LEU B 407 105.816 22.597 -17.970 1.00 0.15 C ATOM 2708 CG LEU B 407 106.890 23.700 -17.954 1.00 0.15 C ATOM 2709 CD1 LEU B 407 108.192 23.152 -17.343 1.00 0.14 C ATOM 2710 CD2 LEU B 407 107.187 24.190 -19.386 1.00 0.16 C ATOM 0 H LEU B 407 104.386 23.850 -16.214 1.00 0.17 H new ATOM 0 HA LEU B 407 104.419 23.729 -19.156 1.00 0.16 H new ATOM 0 HB2 LEU B 407 105.828 22.058 -17.022 1.00 0.15 H new ATOM 0 HB3 LEU B 407 106.045 21.873 -18.752 1.00 0.15 H new ATOM 0 HG LEU B 407 106.515 24.531 -17.357 1.00 0.15 H new ATOM 0 HD11 LEU B 407 108.948 23.937 -17.334 1.00 0.14 H new ATOM 0 HD12 LEU B 407 108.003 22.819 -16.323 1.00 0.14 H new ATOM 0 HD13 LEU B 407 108.548 22.312 -17.939 1.00 0.14 H new ATOM 0 HD21 LEU B 407 107.948 24.969 -19.353 1.00 0.16 H new ATOM 0 HD22 LEU B 407 107.547 23.356 -19.989 1.00 0.16 H new ATOM 0 HD23 LEU B 407 106.276 24.591 -19.830 1.00 0.16 H new ATOM 2722 N SER B 408 102.147 22.423 -18.512 1.00 0.17 N ATOM 2723 CA SER B 408 101.075 21.441 -18.567 1.00 0.17 C ATOM 2724 C SER B 408 101.343 20.427 -19.671 1.00 0.17 C ATOM 2725 O SER B 408 100.704 19.377 -19.729 1.00 0.17 O ATOM 2726 CB SER B 408 99.744 22.142 -18.834 1.00 0.19 C ATOM 2727 OG SER B 408 99.639 22.438 -20.219 1.00 0.20 O ATOM 0 H SER B 408 101.851 23.384 -18.681 1.00 0.17 H new ATOM 0 HA SER B 408 101.029 20.921 -17.610 1.00 0.17 H new ATOM 0 HB2 SER B 408 98.916 21.506 -18.523 1.00 0.19 H new ATOM 0 HB3 SER B 408 99.679 23.059 -18.248 1.00 0.19 H new ATOM 0 HG SER B 408 98.785 22.886 -20.394 1.00 0.20 H new ATOM 2733 N GLN B 409 102.267 20.761 -20.570 1.00 0.17 N ATOM 2734 CA GLN B 409 102.578 19.885 -21.694 1.00 0.17 C ATOM 2735 C GLN B 409 103.425 18.696 -21.244 1.00 0.15 C ATOM 2736 O GLN B 409 103.442 17.656 -21.900 1.00 0.15 O ATOM 2737 CB GLN B 409 103.333 20.666 -22.767 1.00 0.17 C ATOM 2738 CG GLN B 409 102.460 21.827 -23.251 1.00 0.19 C ATOM 2739 CD GLN B 409 103.081 22.465 -24.488 1.00 0.20 C ATOM 2740 OE1 GLN B 409 104.286 22.336 -24.720 1.00 0.19 O ATOM 2741 NE2 GLN B 409 102.328 23.152 -25.298 1.00 0.21 N ATOM 0 H GLN B 409 102.809 21.625 -20.542 1.00 0.17 H new ATOM 0 HA GLN B 409 101.639 19.510 -22.101 1.00 0.17 H new ATOM 0 HB2 GLN B 409 104.273 21.045 -22.365 1.00 0.17 H new ATOM 0 HB3 GLN B 409 103.584 20.011 -23.602 1.00 0.17 H new ATOM 0 HG2 GLN B 409 101.457 21.467 -23.482 1.00 0.19 H new ATOM 0 HG3 GLN B 409 102.358 22.570 -22.460 1.00 0.19 H new ATOM 0 HE21 GLN B 409 101.332 23.257 -25.103 1.00 0.21 H new ATOM 0 HE22 GLN B 409 102.734 23.586 -26.127 1.00 0.21 H new ATOM 2750 N ILE B 410 104.109 18.855 -20.120 1.00 0.14 N ATOM 2751 CA ILE B 410 104.937 17.773 -19.602 1.00 0.13 C ATOM 2752 C ILE B 410 104.096 16.864 -18.703 1.00 0.12 C ATOM 2753 O ILE B 410 103.329 17.339 -17.870 1.00 0.13 O ATOM 2754 CB ILE B 410 106.126 18.328 -18.810 1.00 0.12 C ATOM 2755 CG1 ILE B 410 106.993 19.188 -19.738 1.00 0.13 C ATOM 2756 CG2 ILE B 410 106.967 17.159 -18.240 1.00 0.10 C ATOM 2757 CD1 ILE B 410 108.101 19.882 -18.935 1.00 0.12 C ATOM 0 H ILE B 410 104.109 19.706 -19.557 1.00 0.14 H new ATOM 0 HA ILE B 410 105.322 17.199 -20.445 1.00 0.13 H new ATOM 0 HB ILE B 410 105.761 18.938 -17.983 1.00 0.12 H new ATOM 0 HG12 ILE B 410 107.434 18.565 -20.517 1.00 0.13 H new ATOM 0 HG13 ILE B 410 106.375 19.934 -20.238 1.00 0.13 H new ATOM 0 HG21 ILE B 410 107.811 17.558 -17.678 1.00 0.10 H new ATOM 0 HG22 ILE B 410 106.346 16.552 -17.581 1.00 0.10 H new ATOM 0 HG23 ILE B 410 107.336 16.543 -19.060 1.00 0.10 H new ATOM 0 HD11 ILE B 410 108.710 20.489 -19.605 1.00 0.12 H new ATOM 0 HD12 ILE B 410 107.653 20.520 -18.173 1.00 0.12 H new ATOM 0 HD13 ILE B 410 108.728 19.130 -18.456 1.00 0.12 H new ATOM 2769 N SER B 411 104.237 15.555 -18.902 1.00 0.11 N ATOM 2770 CA SER B 411 103.472 14.582 -18.125 1.00 0.11 C ATOM 2771 C SER B 411 104.375 13.851 -17.141 1.00 0.09 C ATOM 2772 O SER B 411 105.552 13.627 -17.423 1.00 0.09 O ATOM 2773 CB SER B 411 102.817 13.573 -19.069 1.00 0.11 C ATOM 2774 OG SER B 411 102.584 12.358 -18.369 1.00 0.10 O ATOM 0 H SER B 411 104.869 15.146 -19.590 1.00 0.11 H new ATOM 0 HA SER B 411 102.703 15.112 -17.563 1.00 0.11 H new ATOM 0 HB2 SER B 411 101.877 13.972 -19.451 1.00 0.11 H new ATOM 0 HB3 SER B 411 103.460 13.392 -19.930 1.00 0.11 H new ATOM 0 HG SER B 411 102.163 11.709 -18.971 1.00 0.10 H new ATOM 2780 N VAL B 412 103.826 13.510 -15.974 1.00 0.09 N ATOM 2781 CA VAL B 412 104.601 12.828 -14.939 1.00 0.08 C ATOM 2782 C VAL B 412 103.877 11.607 -14.382 1.00 0.08 C ATOM 2783 O VAL B 412 102.733 11.691 -13.930 1.00 0.09 O ATOM 2784 CB VAL B 412 104.905 13.803 -13.794 1.00 0.09 C ATOM 2785 CG1 VAL B 412 105.286 13.039 -12.515 1.00 0.08 C ATOM 2786 CG2 VAL B 412 106.078 14.687 -14.199 1.00 0.08 C ATOM 0 H VAL B 412 102.854 13.694 -15.724 1.00 0.09 H new ATOM 0 HA VAL B 412 105.526 12.483 -15.401 1.00 0.08 H new ATOM 0 HB VAL B 412 104.016 14.402 -13.598 1.00 0.09 H new ATOM 0 HG11 VAL B 412 105.497 13.750 -11.716 1.00 0.08 H new ATOM 0 HG12 VAL B 412 104.460 12.393 -12.217 1.00 0.08 H new ATOM 0 HG13 VAL B 412 106.171 12.432 -12.704 1.00 0.08 H new ATOM 0 HG21 VAL B 412 106.303 15.385 -13.392 1.00 0.08 H new ATOM 0 HG22 VAL B 412 106.951 14.065 -14.396 1.00 0.08 H new ATOM 0 HG23 VAL B 412 105.820 15.245 -15.099 1.00 0.08 H new ATOM 2796 N THR B 413 104.592 10.494 -14.365 1.00 0.07 N ATOM 2797 CA THR B 413 104.064 9.263 -13.793 1.00 0.08 C ATOM 2798 C THR B 413 105.186 8.439 -13.173 1.00 0.07 C ATOM 2799 O THR B 413 106.361 8.767 -13.317 1.00 0.06 O ATOM 2800 CB THR B 413 103.341 8.437 -14.862 1.00 0.08 C ATOM 2801 OG1 THR B 413 104.296 7.751 -15.656 1.00 0.07 O ATOM 2802 CG2 THR B 413 102.504 9.366 -15.742 1.00 0.09 C ATOM 0 H THR B 413 105.538 10.416 -14.739 1.00 0.07 H new ATOM 0 HA THR B 413 103.350 9.530 -13.014 1.00 0.08 H new ATOM 0 HB THR B 413 102.686 7.710 -14.382 1.00 0.08 H new ATOM 0 HG1 THR B 413 103.834 7.221 -16.339 1.00 0.07 H new ATOM 0 HG21 THR B 413 101.989 8.780 -16.503 1.00 0.09 H new ATOM 0 HG22 THR B 413 101.770 9.887 -15.127 1.00 0.09 H new ATOM 0 HG23 THR B 413 103.155 10.095 -16.224 1.00 0.09 H new ATOM 2810 N ASN B 414 104.824 7.361 -12.486 1.00 0.08 N ATOM 2811 CA ASN B 414 105.825 6.494 -11.875 1.00 0.08 C ATOM 2812 C ASN B 414 105.466 5.039 -12.122 1.00 0.08 C ATOM 2813 O ASN B 414 104.292 4.698 -12.281 1.00 0.09 O ATOM 2814 CB ASN B 414 105.919 6.770 -10.368 1.00 0.08 C ATOM 2815 CG ASN B 414 104.537 7.066 -9.796 1.00 0.58 C ATOM 2816 OD1 ASN B 414 104.341 8.167 -9.111 1.00 1.33 O flip ATOM 2817 ND2 ASN B 414 103.606 6.278 -9.969 1.00 1.38 N flip ATOM 0 H ASN B 414 103.858 7.069 -12.339 1.00 0.08 H new ATOM 0 HA ASN B 414 106.796 6.701 -12.326 1.00 0.08 H new ATOM 0 HB2 ASN B 414 106.353 5.909 -9.860 1.00 0.08 H new ATOM 0 HB3 ASN B 414 106.583 7.615 -10.187 1.00 0.08 H new ATOM 0 HD21 ASN B 414 103.756 5.421 -10.501 1.00 1.38 H new ATOM 0 HD22 ASN B 414 102.686 6.483 -9.580 1.00 1.38 H new ATOM 2824 N SER B 415 106.479 4.185 -12.156 1.00 0.08 N ATOM 2825 CA SER B 415 106.255 2.771 -12.391 1.00 0.09 C ATOM 2826 C SER B 415 107.511 1.978 -12.046 1.00 0.09 C ATOM 2827 O SER B 415 108.592 2.547 -11.891 1.00 0.09 O ATOM 2828 CB SER B 415 105.875 2.541 -13.860 1.00 0.08 C ATOM 2829 OG SER B 415 106.697 1.526 -14.413 1.00 0.09 O ATOM 0 H SER B 415 107.456 4.446 -12.025 1.00 0.08 H new ATOM 0 HA SER B 415 105.438 2.430 -11.755 1.00 0.09 H new ATOM 0 HB2 SER B 415 104.826 2.253 -13.934 1.00 0.08 H new ATOM 0 HB3 SER B 415 105.992 3.466 -14.425 1.00 0.08 H new ATOM 0 HG SER B 415 106.982 1.790 -15.313 1.00 0.09 H new ATOM 2835 N ALA B 416 107.365 0.667 -11.923 1.00 0.10 N ATOM 2836 CA ALA B 416 108.494 -0.192 -11.590 1.00 0.11 C ATOM 2837 C ALA B 416 109.535 -0.163 -12.713 1.00 0.11 C ATOM 2838 O ALA B 416 109.203 0.082 -13.875 1.00 0.10 O ATOM 2839 CB ALA B 416 107.995 -1.630 -11.360 1.00 0.12 C ATOM 0 H ALA B 416 106.480 0.175 -12.048 1.00 0.10 H new ATOM 0 HA ALA B 416 108.965 0.174 -10.678 1.00 0.11 H new ATOM 0 HB1 ALA B 416 108.839 -2.273 -11.111 1.00 0.12 H new ATOM 0 HB2 ALA B 416 107.277 -1.639 -10.540 1.00 0.12 H new ATOM 0 HB3 ALA B 416 107.514 -1.998 -12.267 1.00 0.12 H new ATOM 2845 N ILE B 417 110.791 -0.428 -12.369 1.00 0.12 N ATOM 2846 CA ILE B 417 111.859 -0.434 -13.369 1.00 0.12 C ATOM 2847 C ILE B 417 111.550 -1.461 -14.443 1.00 0.12 C ATOM 2848 O ILE B 417 111.748 -1.208 -15.631 1.00 0.12 O ATOM 2849 CB ILE B 417 113.205 -0.760 -12.710 1.00 0.13 C ATOM 2850 CG1 ILE B 417 113.608 0.391 -11.794 1.00 0.12 C ATOM 2851 CG2 ILE B 417 114.299 -0.937 -13.773 1.00 0.13 C ATOM 2852 CD1 ILE B 417 114.843 -0.003 -10.988 1.00 0.13 C ATOM 0 H ILE B 417 111.095 -0.639 -11.418 1.00 0.12 H new ATOM 0 HA ILE B 417 111.922 0.555 -13.822 1.00 0.12 H new ATOM 0 HB ILE B 417 113.097 -1.685 -12.144 1.00 0.13 H new ATOM 0 HG12 ILE B 417 113.816 1.283 -12.385 1.00 0.12 H new ATOM 0 HG13 ILE B 417 112.787 0.639 -11.122 1.00 0.12 H new ATOM 0 HG21 ILE B 417 115.246 -1.168 -13.285 1.00 0.13 H new ATOM 0 HG22 ILE B 417 114.027 -1.753 -14.442 1.00 0.13 H new ATOM 0 HG23 ILE B 417 114.401 -0.016 -14.347 1.00 0.13 H new ATOM 0 HD11 ILE B 417 115.129 0.821 -10.334 1.00 0.13 H new ATOM 0 HD12 ILE B 417 114.619 -0.883 -10.385 1.00 0.13 H new ATOM 0 HD13 ILE B 417 115.664 -0.229 -11.668 1.00 0.13 H new ATOM 2864 N ASN B 418 111.070 -2.628 -14.030 1.00 0.13 N ATOM 2865 CA ASN B 418 110.752 -3.680 -14.983 1.00 0.14 C ATOM 2866 C ASN B 418 109.792 -3.150 -16.037 1.00 0.13 C ATOM 2867 O ASN B 418 109.652 -3.736 -17.111 1.00 0.13 O ATOM 2868 CB ASN B 418 110.102 -4.875 -14.263 1.00 0.14 C ATOM 2869 CG ASN B 418 111.157 -5.878 -13.792 1.00 0.16 C ATOM 2870 OD1 ASN B 418 112.254 -6.052 -14.483 1.00 0.17 O flip ATOM 2871 ND2 ASN B 418 110.965 -6.535 -12.771 1.00 0.16 N flip ATOM 0 H ASN B 418 110.895 -2.867 -13.054 1.00 0.13 H new ATOM 0 HA ASN B 418 111.676 -4.007 -15.459 1.00 0.14 H new ATOM 0 HB2 ASN B 418 109.528 -4.519 -13.408 1.00 0.14 H new ATOM 0 HB3 ASN B 418 109.400 -5.370 -14.935 1.00 0.14 H new ATOM 0 HD21 ASN B 418 110.110 -6.400 -12.231 1.00 0.16 H new ATOM 0 HD22 ASN B 418 111.661 -7.215 -12.464 1.00 0.16 H new ATOM 2878 N ASN B 419 109.116 -2.042 -15.726 1.00 0.11 N ATOM 2879 CA ASN B 419 108.153 -1.454 -16.645 1.00 0.11 C ATOM 2880 C ASN B 419 108.527 -0.010 -17.001 1.00 0.10 C ATOM 2881 O ASN B 419 108.165 0.925 -16.284 1.00 0.09 O ATOM 2882 CB ASN B 419 106.756 -1.484 -15.986 1.00 0.11 C ATOM 2883 CG ASN B 419 105.787 -2.384 -16.753 1.00 0.11 C ATOM 2884 OD1 ASN B 419 106.032 -2.740 -17.905 1.00 0.11 O ATOM 2885 ND2 ASN B 419 104.680 -2.762 -16.176 1.00 0.11 N ATOM 0 H ASN B 419 109.221 -1.538 -14.845 1.00 0.11 H new ATOM 0 HA ASN B 419 108.151 -2.033 -17.568 1.00 0.11 H new ATOM 0 HB2 ASN B 419 106.846 -1.838 -14.959 1.00 0.11 H new ATOM 0 HB3 ASN B 419 106.354 -0.472 -15.940 1.00 0.11 H new ATOM 0 HD21 ASN B 419 104.018 -3.352 -16.680 1.00 0.11 H new ATOM 0 HD22 ASN B 419 104.476 -2.467 -15.221 1.00 0.11 H new ATOM 2892 N LEU B 420 109.177 0.177 -18.147 1.00 0.10 N ATOM 2893 CA LEU B 420 109.496 1.521 -18.628 1.00 0.09 C ATOM 2894 C LEU B 420 109.275 1.579 -20.143 1.00 0.10 C ATOM 2895 O LEU B 420 109.990 0.911 -20.891 1.00 0.11 O ATOM 2896 CB LEU B 420 110.951 1.901 -18.329 1.00 0.09 C ATOM 2897 CG LEU B 420 111.183 1.972 -16.814 1.00 0.09 C ATOM 2898 CD1 LEU B 420 112.677 2.193 -16.526 1.00 0.09 C ATOM 2899 CD2 LEU B 420 110.366 3.136 -16.217 1.00 0.08 C ATOM 0 H LEU B 420 109.492 -0.578 -18.757 1.00 0.10 H new ATOM 0 HA LEU B 420 108.844 2.225 -18.111 1.00 0.09 H new ATOM 0 HB2 LEU B 420 111.624 1.167 -18.773 1.00 0.09 H new ATOM 0 HB3 LEU B 420 111.184 2.863 -18.785 1.00 0.09 H new ATOM 0 HG LEU B 420 110.863 1.034 -16.360 1.00 0.09 H new ATOM 0 HD11 LEU B 420 112.836 2.243 -15.449 1.00 0.09 H new ATOM 0 HD12 LEU B 420 113.254 1.366 -16.940 1.00 0.09 H new ATOM 0 HD13 LEU B 420 113.002 3.127 -16.984 1.00 0.09 H new ATOM 0 HD21 LEU B 420 110.533 3.183 -15.141 1.00 0.08 H new ATOM 0 HD22 LEU B 420 110.681 4.074 -16.675 1.00 0.08 H new ATOM 0 HD23 LEU B 420 109.306 2.974 -16.413 1.00 0.08 H new ATOM 2911 N PRO B 421 108.302 2.322 -20.618 1.00 0.09 N ATOM 2912 CA PRO B 421 108.035 2.390 -22.076 1.00 0.10 C ATOM 2913 C PRO B 421 109.256 2.921 -22.848 1.00 0.11 C ATOM 2914 O PRO B 421 109.896 3.874 -22.409 1.00 0.10 O ATOM 2915 CB PRO B 421 106.828 3.333 -22.229 1.00 0.10 C ATOM 2916 CG PRO B 421 106.458 3.823 -20.854 1.00 0.09 C ATOM 2917 CD PRO B 421 107.389 3.165 -19.832 1.00 0.08 C ATOM 0 HA PRO B 421 107.830 1.402 -22.489 1.00 0.10 H new ATOM 0 HB2 PRO B 421 107.076 4.171 -22.880 1.00 0.10 H new ATOM 0 HB3 PRO B 421 105.989 2.810 -22.688 1.00 0.10 H new ATOM 0 HG2 PRO B 421 106.547 4.908 -20.803 1.00 0.09 H new ATOM 0 HG3 PRO B 421 105.419 3.578 -20.632 1.00 0.09 H new ATOM 0 HD2 PRO B 421 107.939 3.914 -19.263 1.00 0.08 H new ATOM 0 HD3 PRO B 421 106.825 2.569 -19.114 1.00 0.08 H new ATOM 2925 N PRO B 422 109.601 2.323 -23.971 1.00 0.12 N ATOM 2926 CA PRO B 422 110.776 2.775 -24.767 1.00 0.12 C ATOM 2927 C PRO B 422 110.629 4.213 -25.266 1.00 0.12 C ATOM 2928 O PRO B 422 111.608 4.832 -25.686 1.00 0.13 O ATOM 2929 CB PRO B 422 110.863 1.799 -25.956 1.00 0.14 C ATOM 2930 CG PRO B 422 109.662 0.899 -25.889 1.00 0.14 C ATOM 2931 CD PRO B 422 108.922 1.166 -24.577 1.00 0.12 C ATOM 0 HA PRO B 422 111.677 2.771 -24.154 1.00 0.12 H new ATOM 0 HB2 PRO B 422 110.881 2.345 -26.899 1.00 0.14 H new ATOM 0 HB3 PRO B 422 111.783 1.216 -25.907 1.00 0.14 H new ATOM 0 HG2 PRO B 422 109.004 1.083 -26.738 1.00 0.14 H new ATOM 0 HG3 PRO B 422 109.969 -0.145 -25.944 1.00 0.14 H new ATOM 0 HD2 PRO B 422 107.868 1.379 -24.757 1.00 0.12 H new ATOM 0 HD3 PRO B 422 108.964 0.298 -23.919 1.00 0.12 H new ATOM 2939 N ASP B 423 109.402 4.732 -25.268 1.00 0.12 N ATOM 2940 CA ASP B 423 109.174 6.080 -25.779 1.00 0.12 C ATOM 2941 C ASP B 423 109.504 7.142 -24.731 1.00 0.11 C ATOM 2942 O ASP B 423 109.440 8.335 -25.023 1.00 0.12 O ATOM 2943 CB ASP B 423 107.710 6.248 -26.189 1.00 0.13 C ATOM 2944 CG ASP B 423 107.244 5.040 -26.992 1.00 0.13 C ATOM 2945 OD1 ASP B 423 108.069 4.190 -27.283 1.00 0.14 O ATOM 2946 OD2 ASP B 423 106.065 4.980 -27.301 1.00 0.14 O ATOM 0 H ASP B 423 108.568 4.251 -24.929 1.00 0.12 H new ATOM 0 HA ASP B 423 109.830 6.213 -26.640 1.00 0.12 H new ATOM 0 HB2 ASP B 423 107.088 6.365 -25.302 1.00 0.13 H new ATOM 0 HB3 ASP B 423 107.593 7.155 -26.782 1.00 0.13 H new ATOM 2951 N VAL B 424 109.839 6.726 -23.509 1.00 0.10 N ATOM 2952 CA VAL B 424 110.144 7.687 -22.454 1.00 0.09 C ATOM 2953 C VAL B 424 111.383 8.502 -22.818 1.00 0.10 C ATOM 2954 O VAL B 424 112.361 7.969 -23.337 1.00 0.11 O ATOM 2955 CB VAL B 424 110.362 6.960 -21.119 1.00 0.08 C ATOM 2956 CG1 VAL B 424 111.658 6.137 -21.165 1.00 0.09 C ATOM 2957 CG2 VAL B 424 110.436 7.986 -19.974 1.00 0.07 C ATOM 0 H VAL B 424 109.905 5.747 -23.230 1.00 0.10 H new ATOM 0 HA VAL B 424 109.298 8.367 -22.349 1.00 0.09 H new ATOM 0 HB VAL B 424 109.524 6.285 -20.945 1.00 0.08 H new ATOM 0 HG11 VAL B 424 111.799 5.627 -20.212 1.00 0.09 H new ATOM 0 HG12 VAL B 424 111.592 5.399 -21.965 1.00 0.09 H new ATOM 0 HG13 VAL B 424 112.503 6.800 -21.351 1.00 0.09 H new ATOM 0 HG21 VAL B 424 110.591 7.466 -19.029 1.00 0.07 H new ATOM 0 HG22 VAL B 424 111.266 8.670 -20.152 1.00 0.07 H new ATOM 0 HG23 VAL B 424 109.504 8.550 -19.930 1.00 0.07 H new ATOM 2967 N ASP B 425 111.321 9.801 -22.552 1.00 0.09 N ATOM 2968 CA ASP B 425 112.435 10.689 -22.860 1.00 0.10 C ATOM 2969 C ASP B 425 113.347 10.865 -21.652 1.00 0.09 C ATOM 2970 O ASP B 425 114.573 10.883 -21.791 1.00 0.10 O ATOM 2971 CB ASP B 425 111.896 12.050 -23.307 1.00 0.11 C ATOM 2972 CG ASP B 425 111.259 11.922 -24.685 1.00 0.12 C ATOM 2973 OD1 ASP B 425 111.560 10.954 -25.366 1.00 0.12 O ATOM 2974 OD2 ASP B 425 110.471 12.784 -25.035 1.00 0.12 O ATOM 0 H ASP B 425 110.516 10.261 -22.126 1.00 0.09 H new ATOM 0 HA ASP B 425 113.020 10.242 -23.664 1.00 0.10 H new ATOM 0 HB2 ASP B 425 111.162 12.415 -22.589 1.00 0.11 H new ATOM 0 HB3 ASP B 425 112.704 12.781 -23.336 1.00 0.11 H new ATOM 2979 N LEU B 426 112.747 10.991 -20.471 1.00 0.08 N ATOM 2980 CA LEU B 426 113.522 11.169 -19.241 1.00 0.07 C ATOM 2981 C LEU B 426 113.177 10.100 -18.218 1.00 0.06 C ATOM 2982 O LEU B 426 112.008 9.857 -17.923 1.00 0.05 O ATOM 2983 CB LEU B 426 113.234 12.537 -18.616 1.00 0.06 C ATOM 2984 CG LEU B 426 113.741 13.670 -19.508 1.00 0.07 C ATOM 2985 CD1 LEU B 426 113.040 14.966 -19.094 1.00 0.07 C ATOM 2986 CD2 LEU B 426 115.253 13.854 -19.322 1.00 0.08 C ATOM 0 H LEU B 426 111.736 10.974 -20.337 1.00 0.08 H new ATOM 0 HA LEU B 426 114.575 11.093 -19.511 1.00 0.07 H new ATOM 0 HB2 LEU B 426 112.161 12.648 -18.457 1.00 0.06 H new ATOM 0 HB3 LEU B 426 113.710 12.600 -17.637 1.00 0.06 H new ATOM 0 HG LEU B 426 113.532 13.429 -20.550 1.00 0.07 H new ATOM 0 HD11 LEU B 426 113.391 15.786 -19.721 1.00 0.07 H new ATOM 0 HD12 LEU B 426 111.963 14.852 -19.215 1.00 0.07 H new ATOM 0 HD13 LEU B 426 113.267 15.185 -18.051 1.00 0.07 H new ATOM 0 HD21 LEU B 426 115.603 14.664 -19.963 1.00 0.08 H new ATOM 0 HD22 LEU B 426 115.465 14.098 -18.281 1.00 0.08 H new ATOM 0 HD23 LEU B 426 115.768 12.931 -19.590 1.00 0.08 H new ATOM 2998 N VAL B 427 114.214 9.511 -17.636 1.00 0.06 N ATOM 2999 CA VAL B 427 114.035 8.515 -16.595 1.00 0.06 C ATOM 3000 C VAL B 427 114.782 8.960 -15.339 1.00 0.05 C ATOM 3001 O VAL B 427 115.959 9.313 -15.402 1.00 0.06 O ATOM 3002 CB VAL B 427 114.566 7.169 -17.068 1.00 0.07 C ATOM 3003 CG1 VAL B 427 114.597 6.200 -15.891 1.00 0.07 C ATOM 3004 CG2 VAL B 427 113.650 6.614 -18.161 1.00 0.07 C ATOM 0 H VAL B 427 115.187 9.708 -17.869 1.00 0.06 H new ATOM 0 HA VAL B 427 112.974 8.412 -16.368 1.00 0.06 H new ATOM 0 HB VAL B 427 115.572 7.293 -17.468 1.00 0.07 H new ATOM 0 HG11 VAL B 427 114.977 5.234 -16.225 1.00 0.07 H new ATOM 0 HG12 VAL B 427 115.247 6.596 -15.111 1.00 0.07 H new ATOM 0 HG13 VAL B 427 113.589 6.076 -15.495 1.00 0.07 H new ATOM 0 HG21 VAL B 427 114.030 5.650 -18.500 1.00 0.07 H new ATOM 0 HG22 VAL B 427 112.643 6.487 -17.762 1.00 0.07 H new ATOM 0 HG23 VAL B 427 113.623 7.309 -19.001 1.00 0.07 H new ATOM 3014 N ILE B 428 114.084 8.970 -14.208 1.00 0.05 N ATOM 3015 CA ILE B 428 114.687 9.406 -12.951 1.00 0.05 C ATOM 3016 C ILE B 428 114.640 8.283 -11.917 1.00 0.06 C ATOM 3017 O ILE B 428 113.560 7.851 -11.518 1.00 0.06 O ATOM 3018 CB ILE B 428 113.913 10.619 -12.427 1.00 0.04 C ATOM 3019 CG1 ILE B 428 113.982 11.747 -13.456 1.00 0.03 C ATOM 3020 CG2 ILE B 428 114.521 11.088 -11.106 1.00 0.05 C ATOM 3021 CD1 ILE B 428 112.988 12.846 -13.086 1.00 0.03 C ATOM 0 H ILE B 428 113.108 8.684 -14.134 1.00 0.05 H new ATOM 0 HA ILE B 428 115.730 9.672 -13.125 1.00 0.05 H new ATOM 0 HB ILE B 428 112.872 10.341 -12.261 1.00 0.04 H new ATOM 0 HG12 ILE B 428 114.992 12.155 -13.494 1.00 0.03 H new ATOM 0 HG13 ILE B 428 113.757 11.360 -14.450 1.00 0.03 H new ATOM 0 HG21 ILE B 428 113.967 11.951 -10.737 1.00 0.05 H new ATOM 0 HG22 ILE B 428 114.467 10.282 -10.374 1.00 0.05 H new ATOM 0 HG23 ILE B 428 115.563 11.366 -11.263 1.00 0.05 H new ATOM 0 HD11 ILE B 428 113.041 13.648 -13.823 1.00 0.03 H new ATOM 0 HD12 ILE B 428 111.979 12.434 -13.070 1.00 0.03 H new ATOM 0 HD13 ILE B 428 113.233 13.242 -12.101 1.00 0.03 H new ATOM 3033 N THR B 429 115.807 7.809 -11.483 1.00 0.07 N ATOM 3034 CA THR B 429 115.851 6.729 -10.483 1.00 0.08 C ATOM 3035 C THR B 429 116.999 6.944 -9.514 1.00 0.09 C ATOM 3036 O THR B 429 117.866 7.794 -9.728 1.00 0.09 O ATOM 3037 CB THR B 429 116.051 5.349 -11.136 1.00 0.09 C ATOM 3038 OG1 THR B 429 117.442 5.129 -11.323 1.00 0.10 O ATOM 3039 CG2 THR B 429 115.343 5.246 -12.492 1.00 0.09 C ATOM 0 H THR B 429 116.719 8.143 -11.796 1.00 0.07 H new ATOM 0 HA THR B 429 114.893 6.753 -9.963 1.00 0.08 H new ATOM 0 HB THR B 429 115.619 4.597 -10.476 1.00 0.09 H new ATOM 0 HG1 THR B 429 117.686 4.251 -10.963 1.00 0.10 H new ATOM 0 HG21 THR B 429 115.511 4.256 -12.916 1.00 0.09 H new ATOM 0 HG22 THR B 429 114.273 5.406 -12.357 1.00 0.09 H new ATOM 0 HG23 THR B 429 115.741 6.003 -13.168 1.00 0.09 H new ATOM 3047 N HIS B 430 117.035 6.122 -8.465 1.00 0.10 N ATOM 3048 CA HIS B 430 118.121 6.190 -7.499 1.00 0.11 C ATOM 3049 C HIS B 430 119.391 5.608 -8.118 1.00 0.12 C ATOM 3050 O HIS B 430 119.344 4.602 -8.829 1.00 0.13 O ATOM 3051 CB HIS B 430 117.755 5.415 -6.229 1.00 0.13 C ATOM 3052 CG HIS B 430 118.777 5.697 -5.160 1.00 0.14 C ATOM 3053 ND1 HIS B 430 119.991 5.034 -5.105 1.00 0.15 N ATOM 3054 CD2 HIS B 430 118.782 6.575 -4.101 1.00 0.14 C ATOM 3055 CE1 HIS B 430 120.669 5.513 -4.045 1.00 0.15 C ATOM 3056 NE2 HIS B 430 119.975 6.455 -3.399 1.00 0.15 N ATOM 0 H HIS B 430 116.331 5.410 -8.267 1.00 0.10 H new ATOM 0 HA HIS B 430 118.293 7.232 -7.231 1.00 0.11 H new ATOM 0 HB2 HIS B 430 116.763 5.706 -5.885 1.00 0.13 H new ATOM 0 HB3 HIS B 430 117.718 4.346 -6.440 1.00 0.13 H new ATOM 0 HD2 HIS B 430 117.980 7.255 -3.853 1.00 0.14 H new ATOM 0 HE1 HIS B 430 121.653 5.177 -3.753 1.00 0.15 H new ATOM 0 HE2 HIS B 430 120.260 6.974 -2.569 1.00 0.15 H new ATOM 3064 N ARG B 431 120.504 6.283 -7.892 1.00 0.12 N ATOM 3065 CA ARG B 431 121.780 5.879 -8.474 1.00 0.13 C ATOM 3066 C ARG B 431 122.005 4.377 -8.367 1.00 0.15 C ATOM 3067 O ARG B 431 122.644 3.775 -9.233 1.00 0.15 O ATOM 3068 CB ARG B 431 122.907 6.607 -7.760 1.00 0.14 C ATOM 3069 CG ARG B 431 124.222 6.307 -8.470 1.00 0.15 C ATOM 3070 CD ARG B 431 125.352 7.007 -7.729 1.00 0.15 C ATOM 3071 NE ARG B 431 126.544 7.029 -8.557 1.00 0.16 N ATOM 3072 CZ ARG B 431 127.552 7.839 -8.262 1.00 0.16 C ATOM 3073 NH1 ARG B 431 127.515 8.545 -7.167 1.00 0.16 N ATOM 3074 NH2 ARG B 431 128.581 7.916 -9.063 1.00 0.16 N ATOM 0 H ARG B 431 120.554 7.117 -7.308 1.00 0.12 H new ATOM 0 HA ARG B 431 121.763 6.139 -9.532 1.00 0.13 H new ATOM 0 HB2 ARG B 431 122.718 7.681 -7.756 1.00 0.14 H new ATOM 0 HB3 ARG B 431 122.960 6.289 -6.719 1.00 0.14 H new ATOM 0 HG2 ARG B 431 124.399 5.232 -8.498 1.00 0.15 H new ATOM 0 HG3 ARG B 431 124.179 6.650 -9.504 1.00 0.15 H new ATOM 0 HD2 ARG B 431 125.056 8.025 -7.474 1.00 0.15 H new ATOM 0 HD3 ARG B 431 125.559 6.491 -6.791 1.00 0.15 H new ATOM 0 HE ARG B 431 126.607 6.418 -9.371 1.00 0.16 H new ATOM 0 HH11 ARG B 431 126.713 8.473 -6.541 1.00 0.16 H new ATOM 0 HH12 ARG B 431 128.288 9.169 -6.936 1.00 0.16 H new ATOM 0 HH21 ARG B 431 128.608 7.354 -9.914 1.00 0.16 H new ATOM 0 HH22 ARG B 431 129.357 8.538 -8.838 1.00 0.16 H new ATOM 3088 N ASP B 432 121.510 3.778 -7.299 1.00 0.15 N ATOM 3089 CA ASP B 432 121.716 2.347 -7.104 1.00 0.17 C ATOM 3090 C ASP B 432 121.009 1.542 -8.185 1.00 0.16 C ATOM 3091 O ASP B 432 121.356 0.383 -8.420 1.00 0.17 O ATOM 3092 CB ASP B 432 121.198 1.941 -5.709 1.00 0.17 C ATOM 3093 CG ASP B 432 122.256 1.164 -4.922 1.00 1.27 C ATOM 3094 OD1 ASP B 432 123.223 0.727 -5.521 1.00 2.04 O ATOM 3095 OD2 ASP B 432 122.078 1.018 -3.724 1.00 2.05 O ATOM 0 H ASP B 432 120.974 4.243 -6.566 1.00 0.15 H new ATOM 0 HA ASP B 432 122.783 2.133 -7.173 1.00 0.17 H new ATOM 0 HB2 ASP B 432 120.911 2.833 -5.152 1.00 0.17 H new ATOM 0 HB3 ASP B 432 120.301 1.330 -5.816 1.00 0.17 H new ATOM 3100 N LEU B 433 119.991 2.126 -8.812 1.00 0.15 N ATOM 3101 CA LEU B 433 119.230 1.401 -9.828 1.00 0.15 C ATOM 3102 C LEU B 433 119.293 2.100 -11.196 1.00 0.14 C ATOM 3103 O LEU B 433 118.672 1.644 -12.161 1.00 0.14 O ATOM 3104 CB LEU B 433 117.788 1.251 -9.340 1.00 0.14 C ATOM 3105 CG LEU B 433 117.776 0.609 -7.935 1.00 0.20 C ATOM 3106 CD1 LEU B 433 116.380 0.761 -7.330 1.00 0.22 C ATOM 3107 CD2 LEU B 433 118.114 -0.897 -7.997 1.00 0.33 C ATOM 0 H LEU B 433 119.677 3.081 -8.640 1.00 0.15 H new ATOM 0 HA LEU B 433 119.671 0.415 -9.972 1.00 0.15 H new ATOM 0 HB2 LEU B 433 117.302 2.226 -9.309 1.00 0.14 H new ATOM 0 HB3 LEU B 433 117.221 0.634 -10.037 1.00 0.14 H new ATOM 0 HG LEU B 433 118.528 1.113 -7.328 1.00 0.20 H new ATOM 0 HD11 LEU B 433 116.362 0.310 -6.338 1.00 0.22 H new ATOM 0 HD12 LEU B 433 116.130 1.819 -7.252 1.00 0.22 H new ATOM 0 HD13 LEU B 433 115.651 0.262 -7.968 1.00 0.22 H new ATOM 0 HD21 LEU B 433 118.096 -1.316 -6.991 1.00 0.33 H new ATOM 0 HD22 LEU B 433 117.378 -1.410 -8.616 1.00 0.33 H new ATOM 0 HD23 LEU B 433 119.106 -1.030 -8.428 1.00 0.33 H new ATOM 3119 N THR B 434 120.040 3.196 -11.284 1.00 0.13 N ATOM 3120 CA THR B 434 120.156 3.908 -12.555 1.00 0.13 C ATOM 3121 C THR B 434 120.812 3.028 -13.614 1.00 0.14 C ATOM 3122 O THR B 434 120.461 3.102 -14.791 1.00 0.13 O ATOM 3123 CB THR B 434 120.963 5.203 -12.390 1.00 0.12 C ATOM 3124 OG1 THR B 434 122.057 4.969 -11.516 1.00 0.13 O ATOM 3125 CG2 THR B 434 120.074 6.321 -11.832 1.00 0.11 C ATOM 0 H THR B 434 120.564 3.605 -10.510 1.00 0.13 H new ATOM 0 HA THR B 434 119.147 4.162 -12.881 1.00 0.13 H new ATOM 0 HB THR B 434 121.337 5.516 -13.365 1.00 0.12 H new ATOM 0 HG1 THR B 434 122.661 5.740 -11.535 1.00 0.13 H new ATOM 0 HG21 THR B 434 120.662 7.232 -11.721 1.00 0.11 H new ATOM 0 HG22 THR B 434 119.247 6.504 -12.517 1.00 0.11 H new ATOM 0 HG23 THR B 434 119.681 6.022 -10.860 1.00 0.11 H new ATOM 3133 N GLU B 435 121.735 2.167 -13.190 1.00 0.15 N ATOM 3134 CA GLU B 435 122.383 1.257 -14.132 1.00 0.16 C ATOM 3135 C GLU B 435 121.333 0.405 -14.833 1.00 0.16 C ATOM 3136 O GLU B 435 121.386 0.205 -16.044 1.00 0.16 O ATOM 3137 CB GLU B 435 123.365 0.338 -13.396 1.00 0.18 C ATOM 3138 CG GLU B 435 124.630 1.113 -13.028 1.00 0.18 C ATOM 3139 CD GLU B 435 125.563 0.218 -12.218 1.00 0.19 C ATOM 3140 OE1 GLU B 435 125.185 -0.908 -11.951 1.00 0.20 O ATOM 3141 OE2 GLU B 435 126.645 0.672 -11.880 1.00 0.20 O ATOM 0 H GLU B 435 122.046 2.080 -12.222 1.00 0.15 H new ATOM 0 HA GLU B 435 122.928 1.850 -14.867 1.00 0.16 H new ATOM 0 HB2 GLU B 435 122.898 -0.061 -12.495 1.00 0.18 H new ATOM 0 HB3 GLU B 435 123.621 -0.514 -14.026 1.00 0.18 H new ATOM 0 HG2 GLU B 435 125.134 1.457 -13.932 1.00 0.18 H new ATOM 0 HG3 GLU B 435 124.370 2.000 -12.451 1.00 0.18 H new ATOM 3148 N ARG B 436 120.382 -0.100 -14.054 1.00 0.16 N ATOM 3149 CA ARG B 436 119.325 -0.940 -14.601 1.00 0.16 C ATOM 3150 C ARG B 436 118.495 -0.195 -15.638 1.00 0.15 C ATOM 3151 O ARG B 436 118.210 -0.727 -16.712 1.00 0.15 O ATOM 3152 CB ARG B 436 118.388 -1.400 -13.482 1.00 0.16 C ATOM 3153 CG ARG B 436 118.870 -2.719 -12.894 1.00 0.17 C ATOM 3154 CD ARG B 436 117.866 -3.164 -11.836 1.00 0.17 C ATOM 3155 NE ARG B 436 118.226 -4.481 -11.338 1.00 0.19 N ATOM 3156 CZ ARG B 436 117.591 -5.021 -10.307 1.00 0.19 C ATOM 3157 NH1 ARG B 436 116.614 -4.370 -9.732 1.00 0.18 N ATOM 3158 NH2 ARG B 436 117.930 -6.202 -9.879 1.00 0.20 N ATOM 0 H ARG B 436 120.322 0.057 -13.048 1.00 0.16 H new ATOM 0 HA ARG B 436 119.807 -1.794 -15.076 1.00 0.16 H new ATOM 0 HB2 ARG B 436 118.344 -0.641 -12.701 1.00 0.16 H new ATOM 0 HB3 ARG B 436 117.376 -1.516 -13.871 1.00 0.16 H new ATOM 0 HG2 ARG B 436 118.958 -3.474 -13.675 1.00 0.17 H new ATOM 0 HG3 ARG B 436 119.859 -2.599 -12.453 1.00 0.17 H new ATOM 0 HD2 ARG B 436 117.848 -2.447 -11.015 1.00 0.17 H new ATOM 0 HD3 ARG B 436 116.863 -3.188 -12.261 1.00 0.17 H new ATOM 0 HE ARG B 436 118.980 -4.999 -11.789 1.00 0.19 H new ATOM 0 HH11 ARG B 436 116.342 -3.449 -10.077 1.00 0.18 H new ATOM 0 HH12 ARG B 436 116.124 -4.783 -8.939 1.00 0.18 H new ATOM 0 HH21 ARG B 436 118.685 -6.713 -10.337 1.00 0.20 H new ATOM 0 HH22 ARG B 436 117.441 -6.617 -9.086 1.00 0.20 H new ATOM 3172 N ALA B 437 118.071 1.017 -15.305 1.00 0.13 N ATOM 3173 CA ALA B 437 117.234 1.780 -16.217 1.00 0.12 C ATOM 3174 C ALA B 437 117.992 2.110 -17.492 1.00 0.13 C ATOM 3175 O ALA B 437 117.444 2.026 -18.591 1.00 0.13 O ATOM 3176 CB ALA B 437 116.773 3.061 -15.540 1.00 0.11 C ATOM 0 H ALA B 437 118.289 1.485 -14.425 1.00 0.13 H new ATOM 0 HA ALA B 437 116.365 1.177 -16.480 1.00 0.12 H new ATOM 0 HB1 ALA B 437 116.146 3.630 -16.226 1.00 0.11 H new ATOM 0 HB2 ALA B 437 116.201 2.814 -14.646 1.00 0.11 H new ATOM 0 HB3 ALA B 437 117.641 3.658 -15.262 1.00 0.11 H new ATOM 3182 N MET B 438 119.256 2.476 -17.338 1.00 0.13 N ATOM 3183 CA MET B 438 120.083 2.803 -18.487 1.00 0.14 C ATOM 3184 C MET B 438 120.088 1.626 -19.439 1.00 0.15 C ATOM 3185 O MET B 438 120.102 1.782 -20.660 1.00 0.16 O ATOM 3186 CB MET B 438 121.525 3.041 -18.035 1.00 0.15 C ATOM 3187 CG MET B 438 121.673 4.412 -17.383 1.00 0.14 C ATOM 3188 SD MET B 438 123.354 4.558 -16.725 1.00 0.15 S ATOM 3189 CE MET B 438 123.349 6.335 -16.401 1.00 0.14 C ATOM 0 H MET B 438 119.727 2.553 -16.437 1.00 0.13 H new ATOM 0 HA MET B 438 119.686 3.696 -18.969 1.00 0.14 H new ATOM 0 HB2 MET B 438 121.822 2.265 -17.330 1.00 0.15 H new ATOM 0 HB3 MET B 438 122.195 2.967 -18.891 1.00 0.15 H new ATOM 0 HG2 MET B 438 121.482 5.200 -18.111 1.00 0.14 H new ATOM 0 HG3 MET B 438 120.942 4.532 -16.584 1.00 0.14 H new ATOM 0 HE1 MET B 438 124.312 6.632 -15.985 1.00 0.14 H new ATOM 0 HE2 MET B 438 123.174 6.874 -17.332 1.00 0.14 H new ATOM 0 HE3 MET B 438 122.558 6.573 -15.690 1.00 0.14 H new ATOM 3199 N ARG B 439 120.154 0.447 -18.857 1.00 0.16 N ATOM 3200 CA ARG B 439 120.256 -0.777 -19.619 1.00 0.17 C ATOM 3201 C ARG B 439 119.016 -1.026 -20.460 1.00 0.17 C ATOM 3202 O ARG B 439 119.107 -1.373 -21.638 1.00 0.17 O ATOM 3203 CB ARG B 439 120.427 -1.922 -18.626 1.00 0.18 C ATOM 3204 CG ARG B 439 121.413 -2.935 -19.182 1.00 0.19 C ATOM 3205 CD ARG B 439 121.660 -4.035 -18.164 1.00 0.20 C ATOM 3206 NE ARG B 439 123.109 -4.179 -18.054 1.00 0.21 N ATOM 3207 CZ ARG B 439 123.684 -5.281 -17.636 1.00 0.22 C ATOM 3208 NH1 ARG B 439 122.960 -6.338 -17.393 1.00 0.23 N ATOM 3209 NH2 ARG B 439 124.982 -5.317 -17.483 1.00 0.23 N ATOM 0 H ARG B 439 120.138 0.312 -17.846 1.00 0.16 H new ATOM 0 HA ARG B 439 121.103 -0.703 -20.301 1.00 0.17 H new ATOM 0 HB2 ARG B 439 120.784 -1.538 -17.671 1.00 0.18 H new ATOM 0 HB3 ARG B 439 119.466 -2.400 -18.438 1.00 0.18 H new ATOM 0 HG2 ARG B 439 121.024 -3.364 -20.105 1.00 0.19 H new ATOM 0 HG3 ARG B 439 122.352 -2.441 -19.431 1.00 0.19 H new ATOM 0 HD2 ARG B 439 121.221 -3.777 -17.200 1.00 0.20 H new ATOM 0 HD3 ARG B 439 121.200 -4.970 -18.484 1.00 0.20 H new ATOM 0 HE ARG B 439 123.699 -3.389 -18.313 1.00 0.21 H new ATOM 0 HH11 ARG B 439 121.950 -6.306 -17.528 1.00 0.23 H new ATOM 0 HH12 ARG B 439 123.404 -7.197 -17.068 1.00 0.23 H new ATOM 0 HH21 ARG B 439 125.543 -4.490 -17.688 1.00 0.23 H new ATOM 0 HH22 ARG B 439 125.434 -6.172 -17.158 1.00 0.23 H new ATOM 3223 N GLN B 440 117.862 -0.858 -19.843 1.00 0.15 N ATOM 3224 CA GLN B 440 116.615 -1.082 -20.542 1.00 0.15 C ATOM 3225 C GLN B 440 116.538 -0.121 -21.707 1.00 0.15 C ATOM 3226 O GLN B 440 116.219 -0.503 -22.830 1.00 0.15 O ATOM 3227 CB GLN B 440 115.467 -0.850 -19.569 1.00 0.14 C ATOM 3228 CG GLN B 440 114.144 -1.331 -20.156 1.00 0.14 C ATOM 3229 CD GLN B 440 113.087 -1.201 -19.076 1.00 0.13 C ATOM 3230 OE1 GLN B 440 113.146 -0.276 -18.278 1.00 0.12 O ATOM 3231 NE2 GLN B 440 112.145 -2.093 -18.968 1.00 0.13 N ATOM 0 H GLN B 440 117.764 -0.570 -18.869 1.00 0.15 H new ATOM 0 HA GLN B 440 116.553 -2.102 -20.922 1.00 0.15 H new ATOM 0 HB2 GLN B 440 115.666 -1.375 -18.635 1.00 0.14 H new ATOM 0 HB3 GLN B 440 115.398 0.211 -19.330 1.00 0.14 H new ATOM 0 HG2 GLN B 440 113.874 -0.737 -21.029 1.00 0.14 H new ATOM 0 HG3 GLN B 440 114.226 -2.366 -20.488 1.00 0.14 H new ATOM 0 HE21 GLN B 440 112.095 -2.865 -19.633 1.00 0.13 H new ATOM 0 HE22 GLN B 440 111.457 -2.020 -18.218 1.00 0.13 H new ATOM 3240 N VAL B 441 116.921 1.121 -21.440 1.00 0.14 N ATOM 3241 CA VAL B 441 116.987 2.136 -22.469 1.00 0.14 C ATOM 3242 C VAL B 441 118.219 3.003 -22.238 1.00 0.14 C ATOM 3243 O VAL B 441 118.136 4.053 -21.605 1.00 0.13 O ATOM 3244 CB VAL B 441 115.734 3.017 -22.423 1.00 0.13 C ATOM 3245 CG1 VAL B 441 114.580 2.309 -23.141 1.00 0.13 C ATOM 3246 CG2 VAL B 441 115.349 3.314 -20.954 1.00 0.12 C ATOM 0 H VAL B 441 117.191 1.445 -20.511 1.00 0.14 H new ATOM 0 HA VAL B 441 117.047 1.653 -23.444 1.00 0.14 H new ATOM 0 HB VAL B 441 115.940 3.961 -22.927 1.00 0.13 H new ATOM 0 HG11 VAL B 441 113.690 2.937 -23.107 1.00 0.13 H new ATOM 0 HG12 VAL B 441 114.855 2.126 -24.180 1.00 0.13 H new ATOM 0 HG13 VAL B 441 114.373 1.359 -22.648 1.00 0.13 H new ATOM 0 HG21 VAL B 441 114.457 3.941 -20.931 1.00 0.12 H new ATOM 0 HG22 VAL B 441 115.148 2.377 -20.434 1.00 0.12 H new ATOM 0 HG23 VAL B 441 116.170 3.833 -20.460 1.00 0.12 H new ATOM 3256 N PRO B 442 119.351 2.599 -22.752 1.00 0.16 N ATOM 3257 CA PRO B 442 120.604 3.376 -22.606 1.00 0.16 C ATOM 3258 C PRO B 442 120.597 4.532 -23.581 1.00 0.16 C ATOM 3259 O PRO B 442 121.471 5.397 -23.553 1.00 0.16 O ATOM 3260 CB PRO B 442 121.712 2.369 -22.909 1.00 0.18 C ATOM 3261 CG PRO B 442 121.079 1.304 -23.755 1.00 0.18 C ATOM 3262 CD PRO B 442 119.562 1.365 -23.527 1.00 0.17 C ATOM 0 HA PRO B 442 120.735 3.816 -21.617 1.00 0.16 H new ATOM 0 HB2 PRO B 442 122.540 2.845 -23.435 1.00 0.18 H new ATOM 0 HB3 PRO B 442 122.119 1.947 -21.990 1.00 0.18 H new ATOM 0 HG2 PRO B 442 121.314 1.462 -24.808 1.00 0.18 H new ATOM 0 HG3 PRO B 442 121.467 0.321 -23.486 1.00 0.18 H new ATOM 0 HD2 PRO B 442 119.020 1.393 -24.472 1.00 0.17 H new ATOM 0 HD3 PRO B 442 119.208 0.490 -22.983 1.00 0.17 H new ATOM 3270 N GLN B 443 119.573 4.543 -24.430 1.00 0.16 N ATOM 3271 CA GLN B 443 119.388 5.591 -25.411 1.00 0.16 C ATOM 3272 C GLN B 443 118.542 6.712 -24.818 1.00 0.15 C ATOM 3273 O GLN B 443 118.402 7.782 -25.406 1.00 0.15 O ATOM 3274 CB GLN B 443 118.674 5.005 -26.630 1.00 0.17 C ATOM 3275 CG GLN B 443 119.474 3.811 -27.153 1.00 0.18 C ATOM 3276 CD GLN B 443 118.940 3.378 -28.514 1.00 0.19 C ATOM 3277 OE1 GLN B 443 117.994 3.975 -29.028 1.00 0.19 O ATOM 3278 NE2 GLN B 443 119.500 2.380 -29.134 1.00 0.20 N ATOM 0 H GLN B 443 118.852 3.822 -24.452 1.00 0.16 H new ATOM 0 HA GLN B 443 120.357 5.994 -25.704 1.00 0.16 H new ATOM 0 HB2 GLN B 443 117.665 4.693 -26.361 1.00 0.17 H new ATOM 0 HB3 GLN B 443 118.576 5.762 -27.408 1.00 0.17 H new ATOM 0 HG2 GLN B 443 120.528 4.077 -27.235 1.00 0.18 H new ATOM 0 HG3 GLN B 443 119.409 2.983 -26.448 1.00 0.18 H new ATOM 0 HE21 GLN B 443 120.284 1.888 -28.705 1.00 0.20 H new ATOM 0 HE22 GLN B 443 119.155 2.090 -30.049 1.00 0.20 H new ATOM 3287 N ALA B 444 117.984 6.449 -23.638 1.00 0.14 N ATOM 3288 CA ALA B 444 117.150 7.437 -22.958 1.00 0.12 C ATOM 3289 C ALA B 444 118.002 8.334 -22.080 1.00 0.12 C ATOM 3290 O ALA B 444 119.166 8.034 -21.810 1.00 0.12 O ATOM 3291 CB ALA B 444 116.100 6.739 -22.098 1.00 0.11 C ATOM 0 H ALA B 444 118.093 5.568 -23.136 1.00 0.14 H new ATOM 0 HA ALA B 444 116.653 8.044 -23.715 1.00 0.12 H new ATOM 0 HB1 ALA B 444 115.485 7.486 -21.597 1.00 0.11 H new ATOM 0 HB2 ALA B 444 115.469 6.114 -22.730 1.00 0.11 H new ATOM 0 HB3 ALA B 444 116.595 6.117 -21.352 1.00 0.11 H new ATOM 3297 N GLN B 445 117.398 9.400 -21.575 1.00 0.11 N ATOM 3298 CA GLN B 445 118.098 10.290 -20.665 1.00 0.10 C ATOM 3299 C GLN B 445 117.820 9.876 -19.230 1.00 0.09 C ATOM 3300 O GLN B 445 116.664 9.716 -18.831 1.00 0.08 O ATOM 3301 CB GLN B 445 117.696 11.744 -20.902 1.00 0.10 C ATOM 3302 CG GLN B 445 118.363 12.220 -22.193 1.00 0.11 C ATOM 3303 CD GLN B 445 118.095 13.707 -22.417 1.00 0.12 C ATOM 3304 OE1 GLN B 445 117.418 14.347 -21.617 1.00 0.11 O ATOM 3305 NE2 GLN B 445 118.615 14.297 -23.455 1.00 0.13 N ATOM 0 H GLN B 445 116.435 9.667 -21.778 1.00 0.11 H new ATOM 0 HA GLN B 445 119.169 10.213 -20.853 1.00 0.10 H new ATOM 0 HB2 GLN B 445 116.612 11.831 -20.980 1.00 0.10 H new ATOM 0 HB3 GLN B 445 118.006 12.366 -20.062 1.00 0.10 H new ATOM 0 HG2 GLN B 445 119.437 12.042 -22.141 1.00 0.11 H new ATOM 0 HG3 GLN B 445 117.985 11.645 -23.038 1.00 0.11 H new ATOM 0 HE21 GLN B 445 119.177 13.762 -24.117 1.00 0.13 H new ATOM 0 HE22 GLN B 445 118.461 15.294 -23.606 1.00 0.13 H new ATOM 3314 N HIS B 446 118.890 9.651 -18.479 1.00 0.09 N ATOM 3315 CA HIS B 446 118.765 9.185 -17.107 1.00 0.09 C ATOM 3316 C HIS B 446 119.359 10.190 -16.142 1.00 0.08 C ATOM 3317 O HIS B 446 120.453 10.712 -16.351 1.00 0.09 O ATOM 3318 CB HIS B 446 119.489 7.851 -16.949 1.00 0.10 C ATOM 3319 CG HIS B 446 118.852 6.833 -17.849 1.00 0.10 C ATOM 3320 ND1 HIS B 446 117.667 6.192 -17.518 1.00 0.10 N ATOM 3321 CD2 HIS B 446 119.207 6.348 -19.082 1.00 0.11 C ATOM 3322 CE1 HIS B 446 117.358 5.368 -18.534 1.00 0.10 C ATOM 3323 NE2 HIS B 446 118.261 5.423 -19.513 1.00 0.12 N ATOM 0 H HIS B 446 119.850 9.783 -18.796 1.00 0.09 H new ATOM 0 HA HIS B 446 117.706 9.063 -16.882 1.00 0.09 H new ATOM 0 HB2 HIS B 446 120.544 7.965 -17.198 1.00 0.10 H new ATOM 0 HB3 HIS B 446 119.441 7.518 -15.912 1.00 0.10 H new ATOM 0 HD2 HIS B 446 120.088 6.640 -19.635 1.00 0.11 H new ATOM 0 HE1 HIS B 446 116.482 4.736 -18.555 1.00 0.10 H new ATOM 0 HE2 HIS B 446 118.259 4.900 -20.389 1.00 0.12 H new ATOM 3331 N ILE B 447 118.649 10.405 -15.049 1.00 0.07 N ATOM 3332 CA ILE B 447 119.111 11.290 -14.002 1.00 0.07 C ATOM 3333 C ILE B 447 119.161 10.505 -12.700 1.00 0.07 C ATOM 3334 O ILE B 447 118.207 9.808 -12.345 1.00 0.07 O ATOM 3335 CB ILE B 447 118.160 12.477 -13.864 1.00 0.05 C ATOM 3336 CG1 ILE B 447 118.096 13.262 -15.187 1.00 0.06 C ATOM 3337 CG2 ILE B 447 118.635 13.400 -12.747 1.00 0.05 C ATOM 3338 CD1 ILE B 447 119.499 13.730 -15.596 1.00 0.07 C ATOM 0 H ILE B 447 117.743 9.973 -14.865 1.00 0.07 H new ATOM 0 HA ILE B 447 120.102 11.672 -14.245 1.00 0.07 H new ATOM 0 HB ILE B 447 117.166 12.101 -13.622 1.00 0.05 H new ATOM 0 HG12 ILE B 447 117.672 12.634 -15.970 1.00 0.06 H new ATOM 0 HG13 ILE B 447 117.436 14.122 -15.076 1.00 0.06 H new ATOM 0 HG21 ILE B 447 117.951 14.243 -12.656 1.00 0.05 H new ATOM 0 HG22 ILE B 447 118.660 12.850 -11.806 1.00 0.05 H new ATOM 0 HG23 ILE B 447 119.635 13.767 -12.979 1.00 0.05 H new ATOM 0 HD11 ILE B 447 119.439 14.284 -16.533 1.00 0.07 H new ATOM 0 HD12 ILE B 447 119.908 14.375 -14.819 1.00 0.07 H new ATOM 0 HD13 ILE B 447 120.148 12.864 -15.727 1.00 0.07 H new ATOM 3350 N SER B 448 120.302 10.564 -12.031 1.00 0.08 N ATOM 3351 CA SER B 448 120.489 9.790 -10.808 1.00 0.09 C ATOM 3352 C SER B 448 120.333 10.653 -9.568 1.00 0.08 C ATOM 3353 O SER B 448 120.821 11.779 -9.507 1.00 0.08 O ATOM 3354 CB SER B 448 121.878 9.160 -10.816 1.00 0.10 C ATOM 3355 OG SER B 448 122.812 10.078 -10.271 1.00 0.10 O ATOM 0 H SER B 448 121.104 11.131 -12.307 1.00 0.08 H new ATOM 0 HA SER B 448 119.722 9.016 -10.778 1.00 0.09 H new ATOM 0 HB2 SER B 448 121.875 8.238 -10.235 1.00 0.10 H new ATOM 0 HB3 SER B 448 122.163 8.894 -11.834 1.00 0.10 H new ATOM 0 HG SER B 448 123.706 9.676 -10.273 1.00 0.10 H new ATOM 3361 N LEU B 449 119.678 10.080 -8.566 1.00 0.09 N ATOM 3362 CA LEU B 449 119.486 10.758 -7.290 1.00 0.09 C ATOM 3363 C LEU B 449 120.425 10.150 -6.258 1.00 0.11 C ATOM 3364 O LEU B 449 120.974 9.069 -6.471 1.00 0.11 O ATOM 3365 CB LEU B 449 118.040 10.598 -6.829 1.00 0.09 C ATOM 3366 CG LEU B 449 117.092 11.179 -7.881 1.00 0.08 C ATOM 3367 CD1 LEU B 449 115.651 10.903 -7.451 1.00 0.08 C ATOM 3368 CD2 LEU B 449 117.314 12.698 -8.018 1.00 0.07 C ATOM 0 H LEU B 449 119.270 9.146 -8.612 1.00 0.09 H new ATOM 0 HA LEU B 449 119.704 11.820 -7.405 1.00 0.09 H new ATOM 0 HB2 LEU B 449 117.815 9.544 -6.666 1.00 0.09 H new ATOM 0 HB3 LEU B 449 117.895 11.106 -5.875 1.00 0.09 H new ATOM 0 HG LEU B 449 117.289 10.712 -8.846 1.00 0.08 H new ATOM 0 HD11 LEU B 449 114.965 11.312 -8.193 1.00 0.08 H new ATOM 0 HD12 LEU B 449 115.496 9.827 -7.368 1.00 0.08 H new ATOM 0 HD13 LEU B 449 115.463 11.372 -6.485 1.00 0.08 H new ATOM 0 HD21 LEU B 449 116.634 13.099 -8.769 1.00 0.07 H new ATOM 0 HD22 LEU B 449 117.122 13.182 -7.060 1.00 0.07 H new ATOM 0 HD23 LEU B 449 118.343 12.889 -8.322 1.00 0.07 H new ATOM 3380 N THR B 450 120.577 10.812 -5.116 1.00 0.11 N ATOM 3381 CA THR B 450 121.434 10.296 -4.052 1.00 0.13 C ATOM 3382 C THR B 450 120.604 10.008 -2.807 1.00 0.13 C ATOM 3383 O THR B 450 120.808 8.998 -2.131 1.00 0.15 O ATOM 3384 CB THR B 450 122.519 11.325 -3.722 1.00 0.13 C ATOM 3385 OG1 THR B 450 121.915 12.602 -3.572 1.00 0.12 O ATOM 3386 CG2 THR B 450 123.565 11.385 -4.848 1.00 0.12 C ATOM 0 H THR B 450 120.122 11.700 -4.903 1.00 0.11 H new ATOM 0 HA THR B 450 121.902 9.371 -4.388 1.00 0.13 H new ATOM 0 HB THR B 450 123.017 11.033 -2.797 1.00 0.13 H new ATOM 0 HG1 THR B 450 121.958 12.876 -2.632 1.00 0.12 H new ATOM 0 HG21 THR B 450 124.328 12.121 -4.597 1.00 0.12 H new ATOM 0 HG22 THR B 450 124.030 10.406 -4.965 1.00 0.12 H new ATOM 0 HG23 THR B 450 123.079 11.670 -5.781 1.00 0.12 H new ATOM 3394 N ASN B 451 119.653 10.894 -2.515 1.00 0.13 N ATOM 3395 CA ASN B 451 118.786 10.724 -1.351 1.00 0.14 C ATOM 3396 C ASN B 451 117.329 11.002 -1.721 1.00 0.13 C ATOM 3397 O ASN B 451 117.038 11.728 -2.670 1.00 0.12 O ATOM 3398 CB ASN B 451 119.241 11.662 -0.209 1.00 0.15 C ATOM 3399 CG ASN B 451 119.822 10.872 0.971 1.00 0.97 C ATOM 3400 OD1 ASN B 451 119.912 9.645 0.927 1.00 1.67 O ATOM 3401 ND2 ASN B 451 120.218 11.514 2.039 1.00 1.70 N ATOM 0 H ASN B 451 119.464 11.732 -3.065 1.00 0.13 H new ATOM 0 HA ASN B 451 118.861 9.692 -1.009 1.00 0.14 H new ATOM 0 HB2 ASN B 451 119.990 12.359 -0.586 1.00 0.15 H new ATOM 0 HB3 ASN B 451 118.395 12.258 0.132 1.00 0.15 H new ATOM 0 HD21 ASN B 451 120.600 10.998 2.832 1.00 1.70 H new ATOM 0 HD22 ASN B 451 120.145 12.531 2.079 1.00 1.70 H new ATOM 3408 N PHE B 452 116.431 10.379 -0.972 1.00 0.14 N ATOM 3409 CA PHE B 452 114.998 10.495 -1.226 1.00 0.14 C ATOM 3410 C PHE B 452 114.496 11.924 -1.057 1.00 0.13 C ATOM 3411 O PHE B 452 113.631 12.367 -1.810 1.00 0.13 O ATOM 3412 CB PHE B 452 114.222 9.566 -0.284 1.00 0.15 C ATOM 3413 CG PHE B 452 114.555 8.119 -0.591 1.00 0.15 C ATOM 3414 CD1 PHE B 452 114.397 7.605 -1.889 1.00 0.14 C ATOM 3415 CD2 PHE B 452 115.025 7.284 0.432 1.00 0.17 C ATOM 3416 CE1 PHE B 452 114.707 6.268 -2.155 1.00 0.15 C ATOM 3417 CE2 PHE B 452 115.332 5.946 0.161 1.00 0.18 C ATOM 3418 CZ PHE B 452 115.174 5.440 -1.132 1.00 0.17 C ATOM 0 H PHE B 452 116.669 9.784 -0.178 1.00 0.14 H new ATOM 0 HA PHE B 452 114.829 10.204 -2.263 1.00 0.14 H new ATOM 0 HB2 PHE B 452 114.473 9.793 0.752 1.00 0.15 H new ATOM 0 HB3 PHE B 452 113.151 9.733 -0.397 1.00 0.15 H new ATOM 0 HD1 PHE B 452 114.036 8.243 -2.682 1.00 0.14 H new ATOM 0 HD2 PHE B 452 115.150 7.674 1.431 1.00 0.17 H new ATOM 0 HE1 PHE B 452 114.585 5.875 -3.153 1.00 0.15 H new ATOM 0 HE2 PHE B 452 115.691 5.304 0.952 1.00 0.18 H new ATOM 0 HZ PHE B 452 115.413 4.408 -1.340 1.00 0.17 H new ATOM 3428 N LEU B 453 115.015 12.641 -0.066 1.00 0.14 N ATOM 3429 CA LEU B 453 114.562 14.014 0.165 1.00 0.14 C ATOM 3430 C LEU B 453 115.633 15.027 -0.241 1.00 0.13 C ATOM 3431 O LEU B 453 115.605 16.176 0.196 1.00 0.14 O ATOM 3432 CB LEU B 453 114.190 14.205 1.637 1.00 0.16 C ATOM 3433 CG LEU B 453 113.230 15.392 1.785 1.00 0.16 C ATOM 3434 CD1 LEU B 453 111.900 15.090 1.077 1.00 0.16 C ATOM 3435 CD2 LEU B 453 112.980 15.644 3.274 1.00 0.18 C ATOM 0 H LEU B 453 115.733 12.308 0.578 1.00 0.14 H new ATOM 0 HA LEU B 453 113.681 14.187 -0.454 1.00 0.14 H new ATOM 0 HB2 LEU B 453 113.723 13.299 2.023 1.00 0.16 H new ATOM 0 HB3 LEU B 453 115.089 14.378 2.229 1.00 0.16 H new ATOM 0 HG LEU B 453 113.673 16.277 1.328 1.00 0.16 H new ATOM 0 HD11 LEU B 453 111.227 15.940 1.189 1.00 0.16 H new ATOM 0 HD12 LEU B 453 112.084 14.910 0.018 1.00 0.16 H new ATOM 0 HD13 LEU B 453 111.444 14.205 1.521 1.00 0.16 H new ATOM 0 HD21 LEU B 453 112.298 16.486 3.391 1.00 0.18 H new ATOM 0 HD22 LEU B 453 112.539 14.755 3.724 1.00 0.18 H new ATOM 0 HD23 LEU B 453 113.925 15.870 3.768 1.00 0.18 H new ATOM 3447 N ASP B 454 116.563 14.605 -1.098 1.00 0.13 N ATOM 3448 CA ASP B 454 117.611 15.513 -1.566 1.00 0.12 C ATOM 3449 C ASP B 454 116.997 16.682 -2.326 1.00 0.11 C ATOM 3450 O ASP B 454 116.992 16.698 -3.557 1.00 0.10 O ATOM 3451 CB ASP B 454 118.576 14.768 -2.484 1.00 0.11 C ATOM 3452 CG ASP B 454 119.852 15.583 -2.664 1.00 0.11 C ATOM 3453 OD1 ASP B 454 119.739 16.767 -2.936 1.00 0.10 O ATOM 3454 OD2 ASP B 454 120.921 15.013 -2.526 1.00 0.11 O ATOM 0 H ASP B 454 116.613 13.659 -1.476 1.00 0.13 H new ATOM 0 HA ASP B 454 118.152 15.892 -0.699 1.00 0.12 H new ATOM 0 HB2 ASP B 454 118.814 13.792 -2.061 1.00 0.11 H new ATOM 0 HB3 ASP B 454 118.107 14.591 -3.452 1.00 0.11 H new ATOM 3459 N SER B 455 116.477 17.654 -1.585 1.00 0.12 N ATOM 3460 CA SER B 455 115.827 18.815 -2.190 1.00 0.11 C ATOM 3461 C SER B 455 116.779 19.586 -3.098 1.00 0.10 C ATOM 3462 O SER B 455 116.352 20.132 -4.118 1.00 0.10 O ATOM 3463 CB SER B 455 115.302 19.742 -1.092 1.00 0.13 C ATOM 3464 OG SER B 455 116.379 20.121 -0.247 1.00 0.13 O ATOM 0 H SER B 455 116.492 17.663 -0.565 1.00 0.12 H new ATOM 0 HA SER B 455 115.000 18.453 -2.801 1.00 0.11 H new ATOM 0 HB2 SER B 455 114.843 20.626 -1.534 1.00 0.13 H new ATOM 0 HB3 SER B 455 114.529 19.238 -0.512 1.00 0.13 H new ATOM 0 HG SER B 455 116.048 20.717 0.457 1.00 0.13 H new ATOM 3470 N GLY B 456 118.049 19.649 -2.731 1.00 0.11 N ATOM 3471 CA GLY B 456 119.023 20.380 -3.533 1.00 0.10 C ATOM 3472 C GLY B 456 119.117 19.797 -4.941 1.00 0.09 C ATOM 3473 O GLY B 456 119.048 20.530 -5.925 1.00 0.08 O ATOM 0 H GLY B 456 118.429 19.209 -1.893 1.00 0.11 H new ATOM 0 HA2 GLY B 456 118.739 21.431 -3.588 1.00 0.10 H new ATOM 0 HA3 GLY B 456 120.000 20.339 -3.052 1.00 0.10 H new ATOM 3477 N LEU B 457 119.249 18.475 -5.035 1.00 0.08 N ATOM 3478 CA LEU B 457 119.321 17.832 -6.344 1.00 0.07 C ATOM 3479 C LEU B 457 118.023 18.048 -7.119 1.00 0.07 C ATOM 3480 O LEU B 457 118.050 18.383 -8.298 1.00 0.06 O ATOM 3481 CB LEU B 457 119.567 16.325 -6.216 1.00 0.08 C ATOM 3482 CG LEU B 457 121.005 16.044 -5.762 1.00 0.09 C ATOM 3483 CD1 LEU B 457 121.163 14.535 -5.533 1.00 0.09 C ATOM 3484 CD2 LEU B 457 122.005 16.510 -6.840 1.00 0.08 C ATOM 0 H LEU B 457 119.307 17.840 -4.239 1.00 0.08 H new ATOM 0 HA LEU B 457 120.156 18.286 -6.878 1.00 0.07 H new ATOM 0 HB2 LEU B 457 118.865 15.897 -5.501 1.00 0.08 H new ATOM 0 HB3 LEU B 457 119.382 15.839 -7.174 1.00 0.08 H new ATOM 0 HG LEU B 457 121.208 16.588 -4.839 1.00 0.09 H new ATOM 0 HD11 LEU B 457 122.182 14.321 -5.210 1.00 0.09 H new ATOM 0 HD12 LEU B 457 120.462 14.208 -4.765 1.00 0.09 H new ATOM 0 HD13 LEU B 457 120.958 14.003 -6.462 1.00 0.09 H new ATOM 0 HD21 LEU B 457 123.022 16.305 -6.506 1.00 0.08 H new ATOM 0 HD22 LEU B 457 121.814 15.974 -7.770 1.00 0.08 H new ATOM 0 HD23 LEU B 457 121.887 17.581 -7.007 1.00 0.08 H new ATOM 3496 N TYR B 458 116.893 17.858 -6.446 1.00 0.07 N ATOM 3497 CA TYR B 458 115.600 18.031 -7.106 1.00 0.07 C ATOM 3498 C TYR B 458 115.458 19.443 -7.649 1.00 0.07 C ATOM 3499 O TYR B 458 115.012 19.637 -8.780 1.00 0.07 O ATOM 3500 CB TYR B 458 114.450 17.742 -6.133 1.00 0.08 C ATOM 3501 CG TYR B 458 114.194 16.253 -6.041 1.00 0.08 C ATOM 3502 CD1 TYR B 458 113.635 15.583 -7.133 1.00 0.07 C ATOM 3503 CD2 TYR B 458 114.496 15.545 -4.873 1.00 0.09 C ATOM 3504 CE1 TYR B 458 113.376 14.211 -7.058 1.00 0.07 C ATOM 3505 CE2 TYR B 458 114.236 14.175 -4.794 1.00 0.09 C ATOM 3506 CZ TYR B 458 113.674 13.505 -5.892 1.00 0.08 C ATOM 3507 OH TYR B 458 113.407 12.154 -5.814 1.00 0.09 O ATOM 0 H TYR B 458 116.843 17.589 -5.463 1.00 0.07 H new ATOM 0 HA TYR B 458 115.553 17.323 -7.934 1.00 0.07 H new ATOM 0 HB2 TYR B 458 114.693 18.137 -5.146 1.00 0.08 H new ATOM 0 HB3 TYR B 458 113.547 18.252 -6.467 1.00 0.08 H new ATOM 0 HD1 TYR B 458 113.403 16.126 -8.037 1.00 0.07 H new ATOM 0 HD2 TYR B 458 114.932 16.060 -4.029 1.00 0.09 H new ATOM 0 HE1 TYR B 458 112.945 13.697 -7.904 1.00 0.07 H new ATOM 0 HE2 TYR B 458 114.467 13.632 -3.889 1.00 0.09 H new ATOM 0 HH TYR B 458 113.676 11.818 -4.934 1.00 0.09 H new ATOM 3517 N THR B 459 115.827 20.426 -6.841 1.00 0.08 N ATOM 3518 CA THR B 459 115.715 21.813 -7.264 1.00 0.08 C ATOM 3519 C THR B 459 116.586 22.075 -8.489 1.00 0.08 C ATOM 3520 O THR B 459 116.136 22.689 -9.453 1.00 0.08 O ATOM 3521 CB THR B 459 116.138 22.744 -6.127 1.00 0.09 C ATOM 3522 OG1 THR B 459 115.282 22.542 -5.008 1.00 0.10 O ATOM 3523 CG2 THR B 459 116.040 24.197 -6.589 1.00 0.10 C ATOM 0 H THR B 459 116.201 20.292 -5.902 1.00 0.08 H new ATOM 0 HA THR B 459 114.675 22.008 -7.524 1.00 0.08 H new ATOM 0 HB THR B 459 117.167 22.525 -5.843 1.00 0.09 H new ATOM 0 HG1 THR B 459 115.523 21.705 -4.558 1.00 0.10 H new ATOM 0 HG21 THR B 459 116.342 24.858 -5.777 1.00 0.10 H new ATOM 0 HG22 THR B 459 116.696 24.351 -7.446 1.00 0.10 H new ATOM 0 HG23 THR B 459 115.012 24.419 -6.875 1.00 0.10 H new ATOM 3531 N SER B 460 117.832 21.605 -8.448 1.00 0.07 N ATOM 3532 CA SER B 460 118.755 21.805 -9.563 1.00 0.07 C ATOM 3533 C SER B 460 118.226 21.171 -10.841 1.00 0.06 C ATOM 3534 O SER B 460 118.296 21.764 -11.918 1.00 0.07 O ATOM 3535 CB SER B 460 120.108 21.176 -9.228 1.00 0.07 C ATOM 3536 OG SER B 460 120.607 21.739 -8.024 1.00 0.07 O ATOM 0 H SER B 460 118.223 21.087 -7.661 1.00 0.07 H new ATOM 0 HA SER B 460 118.860 22.878 -9.721 1.00 0.07 H new ATOM 0 HB2 SER B 460 120.002 20.096 -9.121 1.00 0.07 H new ATOM 0 HB3 SER B 460 120.812 21.348 -10.042 1.00 0.07 H new ATOM 0 HG SER B 460 120.148 21.334 -7.259 1.00 0.07 H new ATOM 3542 N LEU B 461 117.726 19.945 -10.723 1.00 0.06 N ATOM 3543 CA LEU B 461 117.232 19.224 -11.884 1.00 0.05 C ATOM 3544 C LEU B 461 116.059 19.962 -12.508 1.00 0.06 C ATOM 3545 O LEU B 461 115.955 20.066 -13.729 1.00 0.06 O ATOM 3546 CB LEU B 461 116.817 17.820 -11.456 1.00 0.05 C ATOM 3547 CG LEU B 461 118.064 17.044 -11.017 1.00 0.05 C ATOM 3548 CD1 LEU B 461 117.656 15.747 -10.295 1.00 0.05 C ATOM 3549 CD2 LEU B 461 118.941 16.724 -12.238 1.00 0.05 C ATOM 0 H LEU B 461 117.654 19.436 -9.842 1.00 0.06 H new ATOM 0 HA LEU B 461 118.021 19.155 -12.633 1.00 0.05 H new ATOM 0 HB2 LEU B 461 116.099 17.873 -10.638 1.00 0.05 H new ATOM 0 HB3 LEU B 461 116.324 17.305 -12.281 1.00 0.05 H new ATOM 0 HG LEU B 461 118.638 17.660 -10.325 1.00 0.05 H new ATOM 0 HD11 LEU B 461 118.550 15.205 -9.988 1.00 0.05 H new ATOM 0 HD12 LEU B 461 117.061 15.992 -9.416 1.00 0.05 H new ATOM 0 HD13 LEU B 461 117.068 15.125 -10.969 1.00 0.05 H new ATOM 0 HD21 LEU B 461 119.825 16.173 -11.917 1.00 0.05 H new ATOM 0 HD22 LEU B 461 118.373 16.119 -12.945 1.00 0.05 H new ATOM 0 HD23 LEU B 461 119.248 17.653 -12.719 1.00 0.05 H new ATOM 3561 N THR B 462 115.171 20.463 -11.662 1.00 0.07 N ATOM 3562 CA THR B 462 114.009 21.181 -12.145 1.00 0.08 C ATOM 3563 C THR B 462 114.408 22.422 -12.925 1.00 0.09 C ATOM 3564 O THR B 462 113.887 22.675 -14.012 1.00 0.09 O ATOM 3565 CB THR B 462 113.135 21.617 -10.974 1.00 0.08 C ATOM 3566 OG1 THR B 462 112.828 20.487 -10.168 1.00 0.08 O ATOM 3567 CG2 THR B 462 111.840 22.241 -11.512 1.00 0.10 C ATOM 0 H THR B 462 115.235 20.385 -10.647 1.00 0.07 H new ATOM 0 HA THR B 462 113.461 20.504 -12.800 1.00 0.08 H new ATOM 0 HB THR B 462 113.667 22.354 -10.372 1.00 0.08 H new ATOM 0 HG1 THR B 462 113.597 20.272 -9.600 1.00 0.08 H new ATOM 0 HG21 THR B 462 111.213 22.554 -10.677 1.00 0.10 H new ATOM 0 HG22 THR B 462 112.082 23.107 -12.128 1.00 0.10 H new ATOM 0 HG23 THR B 462 111.304 21.506 -12.113 1.00 0.10 H new ATOM 3575 N GLU B 463 115.323 23.205 -12.367 1.00 0.09 N ATOM 3576 CA GLU B 463 115.753 24.424 -13.029 1.00 0.10 C ATOM 3577 C GLU B 463 116.310 24.090 -14.399 1.00 0.10 C ATOM 3578 O GLU B 463 116.104 24.820 -15.369 1.00 0.11 O ATOM 3579 CB GLU B 463 116.841 25.129 -12.209 1.00 0.10 C ATOM 3580 CG GLU B 463 116.268 25.593 -10.865 1.00 0.10 C ATOM 3581 CD GLU B 463 116.992 26.847 -10.379 1.00 0.11 C ATOM 3582 OE1 GLU B 463 117.919 27.270 -11.045 1.00 0.11 O ATOM 3583 OE2 GLU B 463 116.597 27.366 -9.347 1.00 0.11 O ATOM 0 H GLU B 463 115.774 23.020 -11.471 1.00 0.09 H new ATOM 0 HA GLU B 463 114.892 25.086 -13.125 1.00 0.10 H new ATOM 0 HB2 GLU B 463 117.678 24.451 -12.042 1.00 0.10 H new ATOM 0 HB3 GLU B 463 117.229 25.984 -12.763 1.00 0.10 H new ATOM 0 HG2 GLU B 463 115.203 25.798 -10.969 1.00 0.10 H new ATOM 0 HG3 GLU B 463 116.369 24.798 -10.126 1.00 0.10 H new ATOM 3590 N ARG B 464 117.039 22.988 -14.459 1.00 0.09 N ATOM 3591 CA ARG B 464 117.676 22.539 -15.686 1.00 0.09 C ATOM 3592 C ARG B 464 116.660 22.168 -16.761 1.00 0.10 C ATOM 3593 O ARG B 464 116.816 22.524 -17.929 1.00 0.11 O ATOM 3594 CB ARG B 464 118.507 21.294 -15.340 1.00 0.08 C ATOM 3595 CG ARG B 464 119.981 21.541 -15.613 1.00 0.09 C ATOM 3596 CD ARG B 464 120.720 20.238 -15.402 1.00 0.08 C ATOM 3597 NE ARG B 464 122.128 20.478 -15.709 1.00 0.09 N ATOM 3598 CZ ARG B 464 122.905 19.552 -16.232 1.00 0.09 C ATOM 3599 NH1 ARG B 464 122.393 18.405 -16.594 1.00 0.09 N ATOM 3600 NH2 ARG B 464 124.173 19.794 -16.413 1.00 0.10 N ATOM 0 H ARG B 464 117.206 22.379 -13.658 1.00 0.09 H new ATOM 0 HA ARG B 464 118.289 23.349 -16.082 1.00 0.09 H new ATOM 0 HB2 ARG B 464 118.364 21.035 -14.291 1.00 0.08 H new ATOM 0 HB3 ARG B 464 118.160 20.444 -15.928 1.00 0.08 H new ATOM 0 HG2 ARG B 464 120.125 21.900 -16.632 1.00 0.09 H new ATOM 0 HG3 ARG B 464 120.368 22.311 -14.946 1.00 0.09 H new ATOM 0 HD2 ARG B 464 120.605 19.894 -14.374 1.00 0.08 H new ATOM 0 HD3 ARG B 464 120.314 19.458 -16.047 1.00 0.08 H new ATOM 0 HE ARG B 464 122.524 21.397 -15.511 1.00 0.09 H new ATOM 0 HH11 ARG B 464 121.396 18.230 -16.471 1.00 0.09 H new ATOM 0 HH12 ARG B 464 122.991 17.685 -16.999 1.00 0.09 H new ATOM 0 HH21 ARG B 464 124.562 20.699 -16.150 1.00 0.10 H new ATOM 0 HH22 ARG B 464 124.776 19.078 -16.818 1.00 0.10 H new ATOM 3614 N LEU B 465 115.645 21.419 -16.368 1.00 0.09 N ATOM 3615 CA LEU B 465 114.638 20.970 -17.307 1.00 0.09 C ATOM 3616 C LEU B 465 113.900 22.174 -17.876 1.00 0.11 C ATOM 3617 O LEU B 465 113.650 22.251 -19.075 1.00 0.12 O ATOM 3618 CB LEU B 465 113.688 19.997 -16.609 1.00 0.08 C ATOM 3619 CG LEU B 465 114.465 18.708 -16.292 1.00 0.07 C ATOM 3620 CD1 LEU B 465 113.660 17.829 -15.331 1.00 0.06 C ATOM 3621 CD2 LEU B 465 114.765 17.930 -17.591 1.00 0.08 C ATOM 0 H LEU B 465 115.498 21.111 -15.407 1.00 0.09 H new ATOM 0 HA LEU B 465 115.105 20.442 -18.138 1.00 0.09 H new ATOM 0 HB2 LEU B 465 113.297 20.440 -15.693 1.00 0.08 H new ATOM 0 HB3 LEU B 465 112.832 19.777 -17.248 1.00 0.08 H new ATOM 0 HG LEU B 465 115.409 18.979 -15.818 1.00 0.07 H new ATOM 0 HD11 LEU B 465 114.220 16.919 -15.114 1.00 0.06 H new ATOM 0 HD12 LEU B 465 113.479 18.374 -14.404 1.00 0.06 H new ATOM 0 HD13 LEU B 465 112.706 17.567 -15.790 1.00 0.06 H new ATOM 0 HD21 LEU B 465 115.315 17.020 -17.351 1.00 0.08 H new ATOM 0 HD22 LEU B 465 113.828 17.669 -18.083 1.00 0.08 H new ATOM 0 HD23 LEU B 465 115.364 18.551 -18.257 1.00 0.08 H new ATOM 3633 N VAL B 466 113.620 23.140 -17.015 1.00 0.11 N ATOM 3634 CA VAL B 466 112.978 24.371 -17.448 1.00 0.13 C ATOM 3635 C VAL B 466 113.853 25.060 -18.484 1.00 0.13 C ATOM 3636 O VAL B 466 113.370 25.507 -19.528 1.00 0.15 O ATOM 3637 CB VAL B 466 112.760 25.289 -16.234 1.00 0.13 C ATOM 3638 CG1 VAL B 466 112.218 26.659 -16.668 1.00 0.14 C ATOM 3639 CG2 VAL B 466 111.760 24.635 -15.285 1.00 0.12 C ATOM 0 H VAL B 466 113.826 23.096 -16.017 1.00 0.11 H new ATOM 0 HA VAL B 466 112.011 24.146 -17.897 1.00 0.13 H new ATOM 0 HB VAL B 466 113.718 25.437 -15.736 1.00 0.13 H new ATOM 0 HG11 VAL B 466 112.073 27.288 -15.790 1.00 0.14 H new ATOM 0 HG12 VAL B 466 112.930 27.135 -17.342 1.00 0.14 H new ATOM 0 HG13 VAL B 466 111.265 26.527 -17.181 1.00 0.14 H new ATOM 0 HG21 VAL B 466 111.601 25.281 -14.422 1.00 0.12 H new ATOM 0 HG22 VAL B 466 110.813 24.482 -15.803 1.00 0.12 H new ATOM 0 HG23 VAL B 466 112.150 23.674 -14.951 1.00 0.12 H new ATOM 3649 N ALA B 467 115.155 25.137 -18.195 1.00 0.13 N ATOM 3650 CA ALA B 467 116.094 25.761 -19.112 1.00 0.14 C ATOM 3651 C ALA B 467 116.110 25.020 -20.449 1.00 0.14 C ATOM 3652 O ALA B 467 116.152 25.645 -21.504 1.00 0.16 O ATOM 3653 CB ALA B 467 117.503 25.768 -18.492 1.00 0.13 C ATOM 0 H ALA B 467 115.574 24.776 -17.338 1.00 0.13 H new ATOM 0 HA ALA B 467 115.778 26.789 -19.292 1.00 0.14 H new ATOM 0 HB1 ALA B 467 118.203 26.237 -19.184 1.00 0.13 H new ATOM 0 HB2 ALA B 467 117.486 26.328 -17.557 1.00 0.13 H new ATOM 0 HB3 ALA B 467 117.819 24.744 -18.295 1.00 0.13 H new ATOM 3659 N ALA B 468 116.067 23.686 -20.392 1.00 0.13 N ATOM 3660 CA ALA B 468 116.085 22.865 -21.598 1.00 0.14 C ATOM 3661 C ALA B 468 114.757 22.964 -22.352 1.00 0.15 C ATOM 3662 O ALA B 468 114.702 22.725 -23.554 1.00 0.16 O ATOM 3663 CB ALA B 468 116.374 21.402 -21.225 1.00 0.13 C ATOM 0 H ALA B 468 116.020 23.155 -19.522 1.00 0.13 H new ATOM 0 HA ALA B 468 116.873 23.234 -22.254 1.00 0.14 H new ATOM 0 HB1 ALA B 468 116.387 20.792 -22.128 1.00 0.13 H new ATOM 0 HB2 ALA B 468 117.343 21.337 -20.730 1.00 0.13 H new ATOM 0 HB3 ALA B 468 115.598 21.038 -20.552 1.00 0.13 H new ATOM 3669 N GLN B 469 113.685 23.281 -21.631 1.00 0.14 N ATOM 3670 CA GLN B 469 112.364 23.391 -22.251 1.00 0.15 C ATOM 3671 C GLN B 469 112.316 24.578 -23.200 1.00 0.17 C ATOM 3672 O GLN B 469 111.909 24.447 -24.357 1.00 0.18 O ATOM 3673 CB GLN B 469 111.299 23.575 -21.176 1.00 0.15 C ATOM 3674 CG GLN B 469 110.989 22.227 -20.524 1.00 0.14 C ATOM 3675 CD GLN B 469 110.071 21.413 -21.424 1.00 0.14 C ATOM 3676 OE1 GLN B 469 109.154 21.958 -22.038 1.00 0.15 O ATOM 3677 NE2 GLN B 469 110.267 20.129 -21.543 1.00 0.13 N ATOM 0 H GLN B 469 113.702 23.465 -20.628 1.00 0.14 H new ATOM 0 HA GLN B 469 112.173 22.475 -22.810 1.00 0.15 H new ATOM 0 HB2 GLN B 469 111.646 24.283 -20.423 1.00 0.15 H new ATOM 0 HB3 GLN B 469 110.394 23.995 -21.615 1.00 0.15 H new ATOM 0 HG2 GLN B 469 111.914 21.680 -20.344 1.00 0.14 H new ATOM 0 HG3 GLN B 469 110.517 22.383 -19.554 1.00 0.14 H new ATOM 0 HE21 GLN B 469 111.028 19.680 -21.033 1.00 0.13 H new ATOM 0 HE22 GLN B 469 109.660 19.574 -22.146 1.00 0.13 H new ATOM 3686 N ARG B 470 112.778 25.725 -22.716 1.00 0.17 N ATOM 3687 CA ARG B 470 112.812 26.914 -23.555 1.00 0.19 C ATOM 3688 C ARG B 470 113.775 26.679 -24.675 1.00 0.19 C ATOM 3689 O ARG B 470 113.399 26.567 -25.841 1.00 0.20 O ATOM 3690 CB ARG B 470 113.336 28.100 -22.782 1.00 0.19 C ATOM 3691 CG ARG B 470 112.319 28.540 -21.756 1.00 0.19 C ATOM 3692 CD ARG B 470 112.808 29.843 -21.163 1.00 0.19 C ATOM 3693 NE ARG B 470 111.805 30.311 -20.226 1.00 0.19 N ATOM 3694 CZ ARG B 470 111.755 31.565 -19.837 1.00 0.20 C ATOM 3695 NH1 ARG B 470 112.547 32.441 -20.399 1.00 0.21 N ATOM 3696 NH2 ARG B 470 110.897 31.933 -18.933 1.00 0.21 N ATOM 0 H ARG B 470 113.127 25.856 -21.767 1.00 0.17 H new ATOM 0 HA ARG B 470 111.800 27.111 -23.910 1.00 0.19 H new ATOM 0 HB2 ARG B 470 114.272 27.838 -22.289 1.00 0.19 H new ATOM 0 HB3 ARG B 470 113.555 28.921 -23.465 1.00 0.19 H new ATOM 0 HG2 ARG B 470 111.341 28.672 -22.218 1.00 0.19 H new ATOM 0 HG3 ARG B 470 112.206 27.784 -20.979 1.00 0.19 H new ATOM 0 HD2 ARG B 470 113.763 29.698 -20.658 1.00 0.19 H new ATOM 0 HD3 ARG B 470 112.971 30.582 -21.948 1.00 0.19 H new ATOM 0 HE ARG B 470 111.121 29.650 -19.859 1.00 0.19 H new ATOM 0 HH11 ARG B 470 113.194 32.148 -21.131 1.00 0.21 H new ATOM 0 HH12 ARG B 470 112.517 33.417 -20.106 1.00 0.21 H new ATOM 0 HH21 ARG B 470 110.261 31.248 -18.524 1.00 0.21 H new ATOM 0 HH22 ARG B 470 110.859 32.907 -18.632 1.00 0.21 H new ATOM 3710 N HIS B 471 115.016 26.490 -24.280 1.00 0.19 N ATOM 3711 CA HIS B 471 116.024 26.135 -25.222 1.00 0.19 C ATOM 3712 C HIS B 471 115.581 24.843 -25.834 1.00 0.19 C ATOM 3713 O HIS B 471 114.762 24.131 -25.262 1.00 0.18 O ATOM 3714 CB HIS B 471 117.372 25.886 -24.522 1.00 0.18 C ATOM 3715 CG HIS B 471 118.272 27.094 -24.539 1.00 0.19 C ATOM 3716 ND1 HIS B 471 119.378 27.162 -23.710 1.00 0.18 N ATOM 3717 CD2 HIS B 471 118.297 28.254 -25.285 1.00 0.20 C ATOM 3718 CE1 HIS B 471 120.016 28.315 -23.967 1.00 0.19 C ATOM 3719 NE2 HIS B 471 119.398 29.020 -24.919 1.00 0.21 N ATOM 0 H HIS B 471 115.338 26.578 -23.316 1.00 0.19 H new ATOM 0 HA HIS B 471 116.156 26.935 -25.951 1.00 0.19 H new ATOM 0 HB2 HIS B 471 117.190 25.589 -23.489 1.00 0.18 H new ATOM 0 HB3 HIS B 471 117.880 25.053 -25.008 1.00 0.18 H new ATOM 0 HD2 HIS B 471 117.572 28.526 -26.038 1.00 0.20 H new ATOM 0 HE1 HIS B 471 120.918 28.634 -23.466 1.00 0.19 H new ATOM 0 HE2 HIS B 471 119.675 29.926 -25.296 1.00 0.21 H new TER 3727 HIS B 471 CONECT 2387 2395 CONECT 2395 2387 2396 2405 CONECT 2396 2395 2397 2399 2406 CONECT 2397 2396 2398 2407 2408 CONECT 2398 2397 2401 CONECT 2399 2396 2400 2409 CONECT 2400 2399 CONECT 2401 2398 2402 2403 2404 CONECT 2402 2401 CONECT 2403 2401 CONECT 2404 2401 CONECT 2405 2395 CONECT 2406 2396 CONECT 2407 2397 CONECT 2408 2397 CONECT 2409 2399 END