USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 750 hydrogens (4 hets) HEADER TRANSFERASE 17-JUN-05 1VRV TITLE STRUCTURE OF PHOSPHORYLATED IIB (C384(SEP)) DOMAIN OF THE MANNITOL- TITLE 2 SPECIFIC PERMEASE ENZYME II COMPND MOL_ID: 1; COMPND 2 MOLECULE: MANNITOL-SPECIFIC PTS SYSTEM ENZYME IIABC COMPONENTS; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: IIB DOMAIN; COMPND 5 SYNONYM: IIBMTL PHOSPHOTRANSFERASE ENZYME II, B COMPONENT, EIIB-MTL; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83334; SOURCE 4 STRAIN: O157:H7; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT EXPDTA SOLUTION NMR AUTHOR J.Y.SUH,C.TANG,M.CAI,G.M.CLORE REVDAT 3 13-JUL-11 1VRV 1 VERSN REVDAT 2 24-FEB-09 1VRV 1 VERSN REVDAT 1 22-NOV-05 1VRV 0 JRNL AUTH J.Y.SUH,C.TANG,M.CAI,G.M.CLORE JRNL TITL VISUALIZATION OF THE PHOSPHORYLATED ACTIVE SITE LOOP OF THE JRNL TITL 2 CYTOPLASMIC B DOMAIN OF THE MANNITOL TRANSPORTER JRNL TITL 3 II(MANNITOL) OF THE ESCHERICHIA COLI PHOSPHOTRANSFERASE JRNL TITL 4 SYSTEM BY NMR SPECTROSCOPY AND RESIDUAL DIPOLAR COUPLINGS. JRNL REF J.MOL.BIOL. V. 353 1129 2005 JRNL REFN ISSN 0022-2836 JRNL PMID 16219324 JRNL DOI 10.1016/J.JMB.2005.09.033 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH (HTTP://NMR.CIT.NIH.GOV/XPLOR_NIH) REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA, CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE TARGET FUNCTION COMPRISES TERMS FOR THE NOE-DERIVED INTERPROTON REMARK 3 DISTANCE RESTRAINTS, TORSION ANGLE RESTRAINTS, AND RESIDUAL DIPOLAR REMARK 3 COUPLINGS (N-H, N-C' AND HN-C') IN THREE ALIGNMENT MEDIA; A QUARTIC REMARK 3 VAN DE WAALS REPULSION TERM, AND A TORSION ANGLE DATABASE POTENTIAL REMARK 3 OF MEAN FORCE. REMARK 3 REMARK 3 REMARK 3 REMARK 3 IN THIS ENTRY THE LAST COLUMN FOR REMARK 3 FOR THE ACTIVE SITE LOOP (RESIDUES 383-393) REMARK 3 REPRESENTS THE AVERAGE RMS REMARK 3 DIFFERENCE BETWEEN THE INDIVIDUAL 150 SIMULATED ANNEALING REMARK 3 STRUCTURES AND THE MEAN COORDINATE POSITIONS. REMARK 3 NOTE ONLY THE COORDINATES OF THE ACTIVE SITE LOOP REMARK 3 (RESIDUES 383-393) HAVE BEEN REFINED; THE REMAINDER REMARK 3 OF THE PROTEIN COORDINATES ARE HELD FIXED AT THEIR REMARK 3 POSITIONS IN UNPHOSPHORYLATED IIBMTL (PDB ACCESSION REMARK 3 CODE 1VKR). THE LAST COLUMN FOR RESIDUES OUTSIDE THE REMARK 3 ACTIVE SITE REPRESENTS THE AVERAGE RMS DIFFERENCE REMARK 3 BETWEEN THE INDIVIDUAL 100 SIMULATED ANNEALING STRUCTURES REMARK 3 AND THE MEAN COORDINATE POSITIONS FOR THE STRUCTURE OF REMARK 3 THE PREVIOUSLY DETERMINED UNPHOSPHORYLATED STATE (PDB REMARK 3 ACCESSION CODE 1VKR). REMARK 3 REMARK 3 EXPERIMENTAL RESTRAINTS INVOLVING THE PHOSPHORYLATED REMARK 3 ACTIVE SITE RESIDUES 383-394: REMARK 3 83 NOE-DERIVED INTERPROTON DISTANCE RESTRAINTS (8 REMARK 3 INTRARESIDUE, 17 SEQUENTIAL, 20 MEDIUM RANGE AND 38 REMARK 3 LONG-RANGE INTERRESIDUE) REMARK 3 21 TORSION ANGLES (10 PHI, 9 PSI AND TWO CHI1) REMARK 3 11 N-H, 11 N-C' AND 11 HN-C' RDCS IN PHAGE PF1 REMARK 3 11 N-H, 6 N-C' AND 6 HN-C' RDCS IN NEUTRAL ANISOTROPIC REMARK 3 GEL REMARK 3 10 N-H RDCS IN A POSITIVELY CHARGED ANISOTROPIC GEL REMARK 3 12 RESTRAINTS FOR 6 BACKBONE H-BONDS INVOLVING ONE REMARK 3 ACTIVE SITE RESIDUE REMARK 3 2 RESTRAINTS FOR A PHOSPHORYL-NH(SER391) H-BOND REMARK 3 DEMONSTRATED BY OBSERVATION OF A 3JNP COUPLING. REMARK 3 THE TOTAL NUMBER OF RDCS MEASURED FOR THE WHOLE PROTEIN REMARK 3 WAS: 192 IN PHAGE PF1, 139 IN NEUTRAL GEL, AND 55 IN REMARK 3 POSITIVE GEL. EXCLUDING A FEW OUTLIERS INVOLVING ONLY REMARK 3 RESIDUES 386-391 WITHIN THE ACTIVE SITE, THE REMAINING REMARK 3 RDCS FIT THE STRUCTURE OF THE UNPHOSPHORYLATED STATE REMARK 3 (COORDINATES 1VKR) EXTREMELY WELL INDICATING THAT THE REMARK 3 ONLY BACKBONE CONFORMATIONAL CHANGES THAT OCCUR UPON REMARK 3 PHOSPHORYLATION ARE LOCALIZED SPECIFICALLY TO THE REMARK 3 ACTIVE SITE (RESIDUES 383-393). THEREFORE ONLY THE REMARK 3 COORDINATES OF THE ACTIVE SITE WERE REFINED WITH THE REMARK 3 COORDINATES OF THE REMAINDER OF THE PROTEIN REMARK 3 FIXED TO THEIR POSITIONS IN 1VKR. REMARK 4 REMARK 4 1VRV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JUN-05. REMARK 100 THE RCSB ID CODE IS RCSB002097. 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 : 0 EXCEPT FOR RDC MEASUREMENTS IN REMARK 210 PHAGE PF1 WHERE IT WAS 0.5M REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : (1) TRIPLE RESONANCE FOR REMARK 210 ASSIGNMENT OF PROTEIN; (2) REMARK 210 QUANTITATIVE J CORRELATION FOR REMARK 210 COUPLING CONSTANTS; (3) 3D REMARK 210 HETERONUCLEAR SEPARATED NOE REMARK 210 EXPTS; (4) IPAP AND COUPLED HSQC REMARK 210 EXPERIMENTS FOR DIPOLAR COUPLINGS. REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX600; DRX600; DMX650 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 150 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 THR A 472 REMARK 465 GLU A 473 REMARK 465 ASN A 474 REMARK 465 GLU A 475 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 HD1 HIS A 430 H ASP A 432 1.16 REMARK 500 O1P SEP A 384 H SER A 391 1.52 REMARK 500 O2P SEP A 384 H MET A 388 1.54 REMARK 500 OG SEP A 384 H GLY A 387 1.60 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 ARG A 378 -3.04 -143.23 REMARK 500 ASP A 454 79.20 -62.04 REMARK 500 REMARK 500 REMARK: NULL DBREF 1VRV A 375 475 UNP P00550 PTM3C_ECOLI 375 475 SEQADV 1VRV SEP A 384 UNP P00550 CYS 384 ENGINEERED SEQRES 1 A 101 SER HIS VAL ARG LYS ILE ILE VAL ALA SEP ASP ALA GLY SEQRES 2 A 101 MET GLY SER SER ALA MET GLY ALA GLY VAL LEU ARG LYS SEQRES 3 A 101 LYS ILE GLN ASP ALA GLY LEU SER GLN ILE SER VAL THR SEQRES 4 A 101 ASN SER ALA ILE ASN ASN LEU PRO PRO ASP VAL ASP LEU SEQRES 5 A 101 VAL ILE THR HIS ARG ASP LEU THR GLU ARG ALA MET ARG SEQRES 6 A 101 GLN VAL PRO GLN ALA GLN HIS ILE SER LEU THR ASN PHE SEQRES 7 A 101 LEU ASP SER GLY LEU TYR THR SER LEU THR GLU ARG LEU SEQRES 8 A 101 VAL ALA ALA GLN ARG HIS THR GLU ASN GLU MODRES 1VRV SEP A 384 SER PHOSPHOSERINE HET SEP A 384 14 HETNAM SEP PHOSPHOSERINE HETSYN SEP PHOSPHONOSERINE FORMUL 1 SEP C3 H8 N O6 P HELIX 1 1 GLY A 389 ALA A 405 1 17 HELIX 2 2 ARG A 431 VAL A 441 1 11 HELIX 3 3 ASP A 454 HIS A 471 1 18 SHEET 1 A 4 SER A 411 ALA A 416 0 SHEET 2 A 4 LYS A 379 SEP A 384 1 N VAL A 382 O SER A 415 SHEET 3 A 4 LEU A 426 HIS A 430 1 O ILE A 428 N ILE A 381 SHEET 4 A 4 GLN A 445 LEU A 449 1 O GLN A 445 N VAL A 427 LINK C ALA A 383 N SEP A 384 1555 1555 1.33 LINK C SEP A 384 N ASP A 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: A 384 SEP H2 : A 384 SEP N : A 383 ALA C :(H bumps) USER MOD NoAdj-H: A 384 SEP H : A 384 SEP N : A 383 ALA C :(H bumps) USER MOD Single : A 375 SER OG : rot 180:sc= 0 USER MOD Single : A 376 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 379 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 388 MET CE :methyl 165:sc= -0.107 (180deg=-0.63) USER MOD Single : A 390 SER OG : rot -40:sc= 1.24 USER MOD Single : A 391 SER OG : rot -76:sc= -0.0147 USER MOD Single : A 393 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.92) USER MOD Single : A 408 SER OG : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 413 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 ASN : amide:sc= -2.03 K(o=-2,f=-4.5!) USER MOD Single : A 415 SER OG : rot -126:sc= 0.797 USER MOD Single : A 418 ASN :FLIP amide:sc= -0.175 F(o=-1.5!,f=-0.17) USER MOD Single : A 419 ASN : amide:sc= -0.305 K(o=-0.3,f=-2.5!) USER MOD Single : A 429 THR OG1 : rot 130:sc= -0.426 USER MOD Single : A 430 HIS : no HD1:sc= 0.541 K(o=0.54,f=-8.7!) USER MOD Single : A 434 THR OG1 : rot 177:sc= -0.767 USER MOD Single : A 438 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 440 GLN : amide:sc= -3.19! C(o=-3.2!,f=-6.8!) USER MOD Single : A 443 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 445 GLN : amide:sc= -0.0801 K(o=-0.08,f=-3.3!) USER MOD Single : A 446 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-13!) USER MOD Single : A 448 SER OG : rot 180:sc=-0.00839 USER MOD Single : A 450 THR OG1 : rot 106:sc= -0.876 USER MOD Single : A 451 ASN : amide:sc= -0.309 K(o=-0.31,f=-3.1!) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 458 TYR OH : rot 180:sc= -0.65 USER MOD Single : A 459 THR OG1 : rot 77:sc= 1.04 USER MOD Single : A 460 SER OG : rot 77:sc= 0.8 USER MOD Single : A 462 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 469 GLN : amide:sc= -1.66! C(o=-1.7!,f=-2.8!) USER MOD Single : A 471 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 375 114.349 7.814 -38.019 1.00 1.68 N ATOM 2 CA SER A 375 114.778 7.198 -36.767 1.00 1.26 C ATOM 3 C SER A 375 115.390 8.246 -35.835 1.00 0.97 C ATOM 4 O SER A 375 116.606 8.435 -35.803 1.00 1.03 O ATOM 5 CB SER A 375 115.786 6.082 -37.066 1.00 1.82 C ATOM 6 OG SER A 375 115.132 4.825 -36.948 1.00 2.49 O ATOM 0 HA SER A 375 113.912 6.768 -36.264 1.00 1.26 H new ATOM 0 HB2 SER A 375 116.194 6.202 -38.070 1.00 1.82 H new ATOM 0 HB3 SER A 375 116.625 6.137 -36.372 1.00 1.82 H new ATOM 0 HG SER A 375 115.769 4.105 -37.139 1.00 2.49 H new ATOM 12 N HIS A 376 114.525 8.947 -35.107 1.00 0.77 N ATOM 13 CA HIS A 376 114.959 10.011 -34.200 1.00 0.59 C ATOM 14 C HIS A 376 114.733 9.637 -32.732 1.00 0.48 C ATOM 15 O HIS A 376 113.618 9.287 -32.351 1.00 0.42 O ATOM 16 CB HIS A 376 114.142 11.281 -34.511 1.00 0.62 C ATOM 17 CG HIS A 376 115.015 12.369 -35.068 1.00 1.37 C ATOM 18 ND1 HIS A 376 115.758 13.200 -34.248 1.00 2.33 N ATOM 19 CD2 HIS A 376 115.240 12.801 -36.348 1.00 2.32 C ATOM 20 CE1 HIS A 376 116.389 14.087 -35.036 1.00 3.24 C ATOM 21 NE2 HIS A 376 116.109 13.889 -36.326 1.00 3.25 N ATOM 0 H HIS A 376 113.516 8.798 -35.126 1.00 0.77 H new ATOM 0 HA HIS A 376 116.026 10.172 -34.350 1.00 0.59 H new ATOM 0 HB2 HIS A 376 113.354 11.043 -35.225 1.00 0.62 H new ATOM 0 HB3 HIS A 376 113.653 11.633 -33.603 1.00 0.62 H new ATOM 0 HD2 HIS A 376 114.810 12.365 -37.238 1.00 2.32 H new ATOM 0 HE1 HIS A 376 117.043 14.865 -34.670 1.00 3.24 H new ATOM 0 HE2 HIS A 376 116.457 14.420 -37.124 1.00 3.25 H new ATOM 29 N VAL A 377 115.774 9.737 -31.903 1.00 0.51 N ATOM 30 CA VAL A 377 115.622 9.468 -30.477 1.00 0.44 C ATOM 31 C VAL A 377 114.740 10.538 -29.837 1.00 0.31 C ATOM 32 O VAL A 377 115.144 11.696 -29.725 1.00 0.38 O ATOM 33 CB VAL A 377 116.991 9.486 -29.791 1.00 0.59 C ATOM 34 CG1 VAL A 377 116.815 9.214 -28.294 1.00 0.67 C ATOM 35 CG2 VAL A 377 117.897 8.414 -30.407 1.00 0.77 C ATOM 0 H VAL A 377 116.717 9.998 -32.191 1.00 0.51 H new ATOM 0 HA VAL A 377 115.162 8.487 -30.356 1.00 0.44 H new ATOM 0 HB VAL A 377 117.451 10.464 -29.931 1.00 0.59 H new ATOM 0 HG11 VAL A 377 117.789 9.227 -27.805 1.00 0.67 H new ATOM 0 HG12 VAL A 377 116.179 9.984 -27.857 1.00 0.67 H new ATOM 0 HG13 VAL A 377 116.351 8.238 -28.154 1.00 0.67 H new ATOM 0 HG21 VAL A 377 118.869 8.432 -29.914 1.00 0.77 H new ATOM 0 HG22 VAL A 377 117.441 7.433 -30.274 1.00 0.77 H new ATOM 0 HG23 VAL A 377 118.026 8.614 -31.471 1.00 0.77 H new ATOM 45 N ARG A 378 113.548 10.148 -29.401 1.00 0.22 N ATOM 46 CA ARG A 378 112.643 11.103 -28.754 1.00 0.28 C ATOM 47 C ARG A 378 111.873 10.446 -27.620 1.00 0.26 C ATOM 48 O ARG A 378 111.038 11.091 -26.987 1.00 0.30 O ATOM 49 CB ARG A 378 111.632 11.687 -29.770 1.00 0.41 C ATOM 50 CG ARG A 378 111.843 11.045 -31.140 1.00 1.37 C ATOM 51 CD ARG A 378 110.971 11.737 -32.195 1.00 1.57 C ATOM 52 NE ARG A 378 109.753 10.973 -32.437 1.00 2.18 N ATOM 53 CZ ARG A 378 108.792 11.468 -33.208 1.00 2.82 C ATOM 54 NH1 ARG A 378 108.966 12.631 -33.779 1.00 3.04 N ATOM 55 NH2 ARG A 378 107.693 10.794 -33.417 1.00 3.74 N ATOM 0 H ARG A 378 113.186 9.197 -29.479 1.00 0.22 H new ATOM 0 HA ARG A 378 113.261 11.907 -28.354 1.00 0.28 H new ATOM 0 HB2 ARG A 378 110.613 11.507 -29.427 1.00 0.41 H new ATOM 0 HB3 ARG A 378 111.758 12.767 -29.842 1.00 0.41 H new ATOM 0 HG2 ARG A 378 112.893 11.116 -31.424 1.00 1.37 H new ATOM 0 HG3 ARG A 378 111.596 9.984 -31.094 1.00 1.37 H new ATOM 0 HD2 ARG A 378 110.715 12.742 -31.860 1.00 1.57 H new ATOM 0 HD3 ARG A 378 111.531 11.843 -33.124 1.00 1.57 H new ATOM 0 HE ARG A 378 109.638 10.053 -32.012 1.00 2.18 H new ATOM 0 HH11 ARG A 378 109.833 13.148 -33.630 1.00 3.04 H new ATOM 0 HH12 ARG A 378 108.235 13.022 -34.374 1.00 3.04 H new ATOM 0 HH21 ARG A 378 107.567 9.878 -32.986 1.00 3.74 H new ATOM 0 HH22 ARG A 378 106.961 11.184 -34.011 1.00 3.74 H new ATOM 69 N LYS A 379 112.072 9.147 -27.428 1.00 0.26 N ATOM 70 CA LYS A 379 111.284 8.426 -26.443 1.00 0.25 C ATOM 71 C LYS A 379 112.128 7.960 -25.273 1.00 0.22 C ATOM 72 O LYS A 379 113.091 7.208 -25.428 1.00 0.25 O ATOM 73 CB LYS A 379 110.607 7.237 -27.131 1.00 0.30 C ATOM 74 CG LYS A 379 109.224 7.011 -26.520 1.00 1.06 C ATOM 75 CD LYS A 379 108.456 5.973 -27.334 1.00 1.16 C ATOM 76 CE LYS A 379 107.116 5.695 -26.648 1.00 1.89 C ATOM 77 NZ LYS A 379 106.098 5.326 -27.669 1.00 2.52 N ATOM 0 H LYS A 379 112.758 8.584 -27.931 1.00 0.26 H new ATOM 0 HA LYS A 379 110.530 9.100 -26.035 1.00 0.25 H new ATOM 0 HB2 LYS A 379 110.517 7.426 -28.201 1.00 0.30 H new ATOM 0 HB3 LYS A 379 111.217 6.341 -27.016 1.00 0.30 H new ATOM 0 HG2 LYS A 379 109.324 6.674 -25.488 1.00 1.06 H new ATOM 0 HG3 LYS A 379 108.670 7.949 -26.497 1.00 1.06 H new ATOM 0 HD2 LYS A 379 108.292 6.336 -28.348 1.00 1.16 H new ATOM 0 HD3 LYS A 379 109.036 5.053 -27.415 1.00 1.16 H new ATOM 0 HE2 LYS A 379 107.228 4.888 -25.923 1.00 1.89 H new ATOM 0 HE3 LYS A 379 106.789 6.576 -26.096 1.00 1.89 H new ATOM 0 HZ1 LYS A 379 105.189 5.138 -27.200 1.00 2.52 H new ATOM 0 HZ2 LYS A 379 105.984 6.109 -28.344 1.00 2.52 H new ATOM 0 HZ3 LYS A 379 106.409 4.473 -28.177 1.00 2.52 H new ATOM 91 N ILE A 380 111.720 8.400 -24.091 1.00 0.19 N ATOM 92 CA ILE A 380 112.390 8.035 -22.858 1.00 0.18 C ATOM 93 C ILE A 380 111.379 7.427 -21.898 1.00 0.17 C ATOM 94 O ILE A 380 110.322 8.012 -21.617 1.00 0.21 O ATOM 95 CB ILE A 380 113.034 9.277 -22.231 1.00 0.20 C ATOM 96 CG1 ILE A 380 114.141 9.789 -23.148 1.00 0.27 C ATOM 97 CG2 ILE A 380 113.618 8.930 -20.874 1.00 0.23 C ATOM 98 CD1 ILE A 380 114.458 11.225 -22.820 1.00 0.46 C ATOM 0 H ILE A 380 110.918 9.017 -23.963 1.00 0.19 H new ATOM 0 HA ILE A 380 113.171 7.304 -23.068 1.00 0.18 H new ATOM 0 HB ILE A 380 112.276 10.050 -22.104 1.00 0.20 H new ATOM 0 HG12 ILE A 380 115.034 9.175 -23.032 1.00 0.27 H new ATOM 0 HG13 ILE A 380 113.830 9.705 -24.189 1.00 0.27 H new ATOM 0 HG21 ILE A 380 114.073 9.818 -20.436 1.00 0.23 H new ATOM 0 HG22 ILE A 380 112.826 8.568 -20.219 1.00 0.23 H new ATOM 0 HG23 ILE A 380 114.375 8.154 -20.991 1.00 0.23 H new ATOM 0 HD11 ILE A 380 115.249 11.583 -23.479 1.00 0.46 H new ATOM 0 HD12 ILE A 380 113.566 11.836 -22.959 1.00 0.46 H new ATOM 0 HD13 ILE A 380 114.789 11.297 -21.784 1.00 0.46 H new ATOM 110 N ILE A 381 111.699 6.240 -21.409 1.00 0.15 N ATOM 111 CA ILE A 381 110.813 5.539 -20.499 1.00 0.15 C ATOM 112 C ILE A 381 111.602 4.973 -19.336 1.00 0.14 C ATOM 113 O ILE A 381 112.685 4.413 -19.516 1.00 0.18 O ATOM 114 CB ILE A 381 110.081 4.420 -21.246 1.00 0.21 C ATOM 115 CG1 ILE A 381 108.888 3.939 -20.408 1.00 0.23 C ATOM 116 CG2 ILE A 381 111.039 3.248 -21.502 1.00 0.26 C ATOM 117 CD1 ILE A 381 107.945 3.079 -21.261 1.00 0.43 C ATOM 0 H ILE A 381 112.563 5.744 -21.627 1.00 0.15 H new ATOM 0 HA ILE A 381 110.076 6.240 -20.107 1.00 0.15 H new ATOM 0 HB ILE A 381 109.723 4.802 -22.202 1.00 0.21 H new ATOM 0 HG12 ILE A 381 109.244 3.362 -19.555 1.00 0.23 H new ATOM 0 HG13 ILE A 381 108.347 4.797 -20.009 1.00 0.23 H new ATOM 0 HG21 ILE A 381 110.511 2.456 -22.034 1.00 0.26 H new ATOM 0 HG22 ILE A 381 111.881 3.591 -22.104 1.00 0.26 H new ATOM 0 HG23 ILE A 381 111.406 2.864 -20.550 1.00 0.26 H new ATOM 0 HD11 ILE A 381 107.105 2.746 -20.652 1.00 0.43 H new ATOM 0 HD12 ILE A 381 107.574 3.668 -22.100 1.00 0.43 H new ATOM 0 HD13 ILE A 381 108.486 2.211 -21.638 1.00 0.43 H new ATOM 129 N VAL A 382 111.046 5.114 -18.138 1.00 0.14 N ATOM 130 CA VAL A 382 111.702 4.598 -16.946 1.00 0.16 C ATOM 131 C VAL A 382 110.986 3.338 -16.487 1.00 0.30 C ATOM 132 O VAL A 382 109.757 3.312 -16.402 1.00 0.47 O ATOM 133 CB VAL A 382 111.670 5.651 -15.833 1.00 0.26 C ATOM 134 CG1 VAL A 382 112.229 5.047 -14.537 1.00 0.43 C ATOM 135 CG2 VAL A 382 112.510 6.877 -16.248 1.00 0.41 C ATOM 0 H VAL A 382 110.153 5.576 -17.969 1.00 0.14 H new ATOM 0 HA VAL A 382 112.741 4.363 -17.176 1.00 0.16 H new ATOM 0 HB VAL A 382 110.641 5.968 -15.666 1.00 0.26 H new ATOM 0 HG11 VAL A 382 112.206 5.797 -13.746 1.00 0.43 H new ATOM 0 HG12 VAL A 382 111.622 4.191 -14.243 1.00 0.43 H new ATOM 0 HG13 VAL A 382 113.257 4.724 -14.700 1.00 0.43 H new ATOM 0 HG21 VAL A 382 112.484 7.622 -15.453 1.00 0.41 H new ATOM 0 HG22 VAL A 382 113.541 6.569 -16.423 1.00 0.41 H new ATOM 0 HG23 VAL A 382 112.100 7.307 -17.162 1.00 0.41 H new ATOM 145 N ALA A 383 111.745 2.288 -16.184 1.00 0.01 N ATOM 146 CA ALA A 383 111.135 1.040 -15.738 1.00 0.03 C ATOM 147 C ALA A 383 111.696 0.577 -14.402 1.00 0.02 C ATOM 148 O ALA A 383 112.808 0.939 -14.013 1.00 0.02 O ATOM 149 CB ALA A 383 111.354 -0.043 -16.783 1.00 0.05 C ATOM 0 H ALA A 383 112.764 2.275 -16.238 1.00 0.01 H new ATOM 0 HA ALA A 383 110.069 1.224 -15.607 1.00 0.03 H new ATOM 0 HB1 ALA A 383 110.897 -0.973 -16.445 1.00 0.05 H new ATOM 0 HB2 ALA A 383 110.900 0.263 -17.725 1.00 0.05 H new ATOM 0 HB3 ALA A 383 112.423 -0.197 -16.929 1.00 0.05 H new HETATM 155 N SEP A 384 110.907 -0.240 -13.709 1.00 0.03 N HETATM 156 CA SEP A 384 111.310 -0.773 -12.414 1.00 0.04 C HETATM 157 CB SEP A 384 110.903 0.180 -11.295 1.00 0.05 C HETATM 158 OG SEP A 384 109.531 -0.054 -10.974 1.00 0.06 O HETATM 159 C SEP A 384 110.642 -2.124 -12.178 1.00 0.04 C HETATM 160 O SEP A 384 109.869 -2.599 -13.011 1.00 0.04 O HETATM 161 P SEP A 384 109.460 0.686 -9.516 1.00 0.06 P HETATM 162 O1P SEP A 384 109.916 2.129 -9.652 1.00 0.06 O HETATM 163 O2P SEP A 384 108.027 0.659 -9.009 1.00 0.08 O HETATM 164 O3P SEP A 384 110.355 -0.038 -8.521 1.00 0.09 O HETATM 0 HB3 SEP A 384 111.529 0.022 -10.417 1.00 0.05 H new HETATM 0 HB2 SEP A 384 111.047 1.214 -11.608 1.00 0.05 H new HETATM 0 HA SEP A 384 112.394 -0.889 -12.414 1.00 0.04 H new ATOM 169 N ASP A 385 110.903 -2.722 -11.015 1.00 0.05 N ATOM 170 CA ASP A 385 110.303 -4.004 -10.664 1.00 0.06 C ATOM 171 C ASP A 385 108.793 -3.949 -10.804 1.00 0.06 C ATOM 172 O ASP A 385 108.198 -4.718 -11.560 1.00 0.06 O ATOM 173 CB ASP A 385 110.668 -4.362 -9.225 1.00 0.07 C ATOM 174 CG ASP A 385 110.023 -5.689 -8.837 1.00 1.24 C ATOM 175 OD1 ASP A 385 109.198 -6.167 -9.596 1.00 2.07 O ATOM 176 OD2 ASP A 385 110.363 -6.203 -7.784 1.00 1.34 O ATOM 0 H ASP A 385 111.525 -2.338 -10.303 1.00 0.05 H new ATOM 0 HA ASP A 385 110.688 -4.764 -11.344 1.00 0.06 H new ATOM 0 HB2 ASP A 385 111.751 -4.431 -9.122 1.00 0.07 H new ATOM 0 HB3 ASP A 385 110.333 -3.575 -8.550 1.00 0.07 H new ATOM 181 N ALA A 386 108.172 -3.037 -10.068 1.00 0.06 N ATOM 182 CA ALA A 386 106.728 -2.894 -10.116 1.00 0.06 C ATOM 183 C ALA A 386 106.336 -1.705 -10.985 1.00 0.06 C ATOM 184 O ALA A 386 105.196 -1.612 -11.435 1.00 0.07 O ATOM 185 CB ALA A 386 106.176 -2.697 -8.699 1.00 0.07 C ATOM 0 H ALA A 386 108.644 -2.391 -9.436 1.00 0.06 H new ATOM 0 HA ALA A 386 106.306 -3.801 -10.549 1.00 0.06 H new ATOM 0 HB1 ALA A 386 105.092 -2.590 -8.742 1.00 0.07 H new ATOM 0 HB2 ALA A 386 106.431 -3.561 -8.086 1.00 0.07 H new ATOM 0 HB3 ALA A 386 106.612 -1.799 -8.260 1.00 0.07 H new ATOM 191 N GLY A 387 107.285 -0.802 -11.236 1.00 0.06 N ATOM 192 CA GLY A 387 106.998 0.368 -12.059 1.00 0.07 C ATOM 193 C GLY A 387 105.938 1.232 -11.399 1.00 0.07 C ATOM 194 O GLY A 387 105.123 1.860 -12.074 1.00 0.08 O ATOM 0 H GLY A 387 108.242 -0.858 -10.887 1.00 0.06 H new ATOM 0 HA2 GLY A 387 107.909 0.948 -12.208 1.00 0.07 H new ATOM 0 HA3 GLY A 387 106.657 0.052 -13.045 1.00 0.07 H new ATOM 198 N MET A 388 105.937 1.244 -10.070 1.00 0.07 N ATOM 199 CA MET A 388 104.947 2.028 -9.341 1.00 0.08 C ATOM 200 C MET A 388 105.579 2.788 -8.185 1.00 0.08 C ATOM 201 O MET A 388 104.869 3.316 -7.329 1.00 0.09 O ATOM 202 CB MET A 388 103.882 1.116 -8.750 1.00 0.10 C ATOM 203 CG MET A 388 103.129 0.379 -9.855 1.00 1.34 C ATOM 204 SD MET A 388 102.149 -0.989 -9.143 1.00 2.16 S ATOM 205 CE MET A 388 101.383 -0.169 -7.702 1.00 2.82 C ATOM 0 H MET A 388 106.597 0.731 -9.485 1.00 0.07 H new ATOM 0 HA MET A 388 104.513 2.729 -10.054 1.00 0.08 H new ATOM 0 HB2 MET A 388 104.346 0.396 -8.076 1.00 0.10 H new ATOM 0 HB3 MET A 388 103.182 1.703 -8.156 1.00 0.10 H new ATOM 0 HG2 MET A 388 102.472 1.071 -10.382 1.00 1.34 H new ATOM 0 HG3 MET A 388 103.835 -0.012 -10.588 1.00 1.34 H new ATOM 0 HE1 MET A 388 100.563 -0.782 -7.328 1.00 2.82 H new ATOM 0 HE2 MET A 388 102.129 -0.042 -6.917 1.00 2.82 H new ATOM 0 HE3 MET A 388 100.999 0.807 -8.000 1.00 2.82 H new ATOM 215 N GLY A 389 106.903 2.820 -8.136 1.00 0.07 N ATOM 216 CA GLY A 389 107.592 3.506 -7.048 1.00 0.08 C ATOM 217 C GLY A 389 108.665 4.441 -7.586 1.00 0.07 C ATOM 218 O GLY A 389 108.365 5.537 -8.057 1.00 0.08 O ATOM 0 H GLY A 389 107.516 2.386 -8.826 1.00 0.07 H new ATOM 0 HA2 GLY A 389 106.873 4.074 -6.458 1.00 0.08 H new ATOM 0 HA3 GLY A 389 108.045 2.773 -6.380 1.00 0.08 H new ATOM 222 N SER A 390 109.917 4.006 -7.500 1.00 0.07 N ATOM 223 CA SER A 390 111.038 4.814 -7.964 1.00 0.07 C ATOM 224 C SER A 390 110.813 5.321 -9.384 1.00 0.07 C ATOM 225 O SER A 390 111.248 6.417 -9.735 1.00 0.07 O ATOM 226 CB SER A 390 112.316 3.979 -7.921 1.00 0.08 C ATOM 227 OG SER A 390 112.244 2.961 -8.912 1.00 0.09 O ATOM 0 H SER A 390 110.181 3.100 -7.114 1.00 0.07 H new ATOM 0 HA SER A 390 111.128 5.678 -7.306 1.00 0.07 H new ATOM 0 HB2 SER A 390 113.185 4.613 -8.097 1.00 0.08 H new ATOM 0 HB3 SER A 390 112.441 3.534 -6.934 1.00 0.08 H new ATOM 0 HG SER A 390 111.338 2.589 -8.933 1.00 0.09 H new ATOM 233 N SER A 391 110.161 4.508 -10.204 1.00 0.06 N ATOM 234 CA SER A 391 109.913 4.885 -11.591 1.00 0.06 C ATOM 235 C SER A 391 109.130 6.193 -11.674 1.00 0.05 C ATOM 236 O SER A 391 109.293 6.962 -12.621 1.00 0.05 O ATOM 237 CB SER A 391 109.124 3.784 -12.298 1.00 0.07 C ATOM 238 OG SER A 391 107.896 3.572 -11.614 1.00 1.17 O ATOM 0 H SER A 391 109.797 3.593 -9.938 1.00 0.06 H new ATOM 0 HA SER A 391 110.878 5.022 -12.078 1.00 0.06 H new ATOM 0 HB2 SER A 391 108.933 4.066 -13.333 1.00 0.07 H new ATOM 0 HB3 SER A 391 109.705 2.862 -12.321 1.00 0.07 H new ATOM 0 HG SER A 391 108.063 3.067 -10.791 1.00 1.17 H new ATOM 244 N ALA A 392 108.261 6.423 -10.694 1.00 0.06 N ATOM 245 CA ALA A 392 107.421 7.617 -10.682 1.00 0.06 C ATOM 246 C ALA A 392 108.251 8.890 -10.497 1.00 0.04 C ATOM 247 O ALA A 392 108.019 9.894 -11.168 1.00 0.05 O ATOM 248 CB ALA A 392 106.385 7.496 -9.553 1.00 0.07 C ATOM 0 H ALA A 392 108.120 5.800 -9.899 1.00 0.06 H new ATOM 0 HA ALA A 392 106.917 7.691 -11.645 1.00 0.06 H new ATOM 0 HB1 ALA A 392 105.755 8.386 -9.540 1.00 0.07 H new ATOM 0 HB2 ALA A 392 105.765 6.615 -9.721 1.00 0.07 H new ATOM 0 HB3 ALA A 392 106.899 7.401 -8.596 1.00 0.07 H new ATOM 254 N MET A 393 109.210 8.841 -9.584 1.00 0.03 N ATOM 255 CA MET A 393 110.042 10.009 -9.316 1.00 0.03 C ATOM 256 C MET A 393 111.021 10.260 -10.458 1.00 0.02 C ATOM 257 O MET A 393 111.117 11.378 -10.968 1.00 0.03 O ATOM 258 CB MET A 393 110.803 9.813 -8.006 1.00 0.04 C ATOM 259 CG MET A 393 109.808 9.436 -6.906 1.00 0.16 C ATOM 260 SD MET A 393 110.716 8.916 -5.421 1.00 1.34 S ATOM 261 CE MET A 393 110.761 10.499 -4.528 1.00 2.00 C ATOM 0 H MET A 393 109.431 8.019 -9.022 1.00 0.03 H new ATOM 0 HA MET A 393 109.393 10.880 -9.230 1.00 0.03 H new ATOM 0 HB2 MET A 393 111.554 9.031 -8.120 1.00 0.04 H new ATOM 0 HB3 MET A 393 111.333 10.727 -7.738 1.00 0.04 H new ATOM 0 HG2 MET A 393 109.167 10.286 -6.674 1.00 0.16 H new ATOM 0 HG3 MET A 393 109.158 8.631 -7.249 1.00 0.16 H new ATOM 0 HE1 MET A 393 111.286 10.368 -3.582 1.00 2.00 H new ATOM 0 HE2 MET A 393 111.281 11.243 -5.132 1.00 2.00 H new ATOM 0 HE3 MET A 393 109.743 10.836 -4.334 1.00 2.00 H new ATOM 271 N GLY A 394 111.724 9.210 -10.871 1.00 0.19 N ATOM 272 CA GLY A 394 112.665 9.318 -11.979 1.00 0.21 C ATOM 273 C GLY A 394 111.997 9.958 -13.186 1.00 0.23 C ATOM 274 O GLY A 394 112.548 10.869 -13.805 1.00 0.22 O ATOM 0 H GLY A 394 111.660 8.280 -10.457 1.00 0.19 H new ATOM 0 HA2 GLY A 394 113.527 9.913 -11.675 1.00 0.21 H new ATOM 0 HA3 GLY A 394 113.038 8.329 -12.245 1.00 0.21 H new ATOM 278 N ALA A 395 110.809 9.467 -13.512 1.00 0.26 N ATOM 279 CA ALA A 395 110.057 9.981 -14.650 1.00 0.30 C ATOM 280 C ALA A 395 109.741 11.467 -14.509 1.00 0.26 C ATOM 281 O ALA A 395 109.901 12.232 -15.459 1.00 0.27 O ATOM 282 CB ALA A 395 108.755 9.204 -14.784 1.00 0.36 C ATOM 0 H ALA A 395 110.345 8.713 -13.005 1.00 0.26 H new ATOM 0 HA ALA A 395 110.676 9.856 -15.539 1.00 0.30 H new ATOM 0 HB1 ALA A 395 108.189 9.585 -15.634 1.00 0.36 H new ATOM 0 HB2 ALA A 395 108.976 8.148 -14.939 1.00 0.36 H new ATOM 0 HB3 ALA A 395 108.166 9.321 -13.874 1.00 0.36 H new ATOM 288 N GLY A 396 109.239 11.859 -13.342 1.00 0.25 N ATOM 289 CA GLY A 396 108.835 13.243 -13.119 1.00 0.25 C ATOM 290 C GLY A 396 109.993 14.220 -13.294 1.00 0.20 C ATOM 291 O GLY A 396 109.856 15.237 -13.972 1.00 0.20 O ATOM 0 H GLY A 396 109.103 11.242 -12.541 1.00 0.25 H new ATOM 0 HA2 GLY A 396 108.036 13.502 -13.814 1.00 0.25 H new ATOM 0 HA3 GLY A 396 108.428 13.343 -12.113 1.00 0.25 H new ATOM 295 N VAL A 397 111.118 13.930 -12.655 1.00 0.16 N ATOM 296 CA VAL A 397 112.268 14.824 -12.726 1.00 0.13 C ATOM 297 C VAL A 397 112.793 14.941 -14.158 1.00 0.14 C ATOM 298 O VAL A 397 113.022 16.046 -14.653 1.00 0.13 O ATOM 299 CB VAL A 397 113.371 14.303 -11.797 1.00 0.15 C ATOM 300 CG1 VAL A 397 114.671 15.067 -12.063 1.00 0.19 C ATOM 301 CG2 VAL A 397 112.942 14.486 -10.321 1.00 0.19 C ATOM 0 H VAL A 397 111.260 13.094 -12.088 1.00 0.16 H new ATOM 0 HA VAL A 397 111.957 15.819 -12.406 1.00 0.13 H new ATOM 0 HB VAL A 397 113.534 13.243 -11.990 1.00 0.15 H new ATOM 0 HG11 VAL A 397 115.453 14.695 -11.402 1.00 0.19 H new ATOM 0 HG12 VAL A 397 114.973 14.921 -13.100 1.00 0.19 H new ATOM 0 HG13 VAL A 397 114.513 16.129 -11.877 1.00 0.19 H new ATOM 0 HG21 VAL A 397 113.729 14.114 -9.665 1.00 0.19 H new ATOM 0 HG22 VAL A 397 112.771 15.544 -10.120 1.00 0.19 H new ATOM 0 HG23 VAL A 397 112.023 13.929 -10.137 1.00 0.19 H new ATOM 311 N LEU A 398 112.993 13.803 -14.810 1.00 0.17 N ATOM 312 CA LEU A 398 113.505 13.810 -16.180 1.00 0.22 C ATOM 313 C LEU A 398 112.547 14.557 -17.087 1.00 0.23 C ATOM 314 O LEU A 398 112.949 15.360 -17.926 1.00 0.24 O ATOM 315 CB LEU A 398 113.632 12.377 -16.701 1.00 0.28 C ATOM 316 CG LEU A 398 114.899 11.719 -16.160 1.00 0.31 C ATOM 317 CD1 LEU A 398 114.773 10.204 -16.348 1.00 0.36 C ATOM 318 CD2 LEU A 398 116.130 12.242 -16.932 1.00 0.36 C ATOM 0 H LEU A 398 112.813 12.876 -14.423 1.00 0.17 H new ATOM 0 HA LEU A 398 114.480 14.297 -16.178 1.00 0.22 H new ATOM 0 HB2 LEU A 398 112.759 11.797 -16.403 1.00 0.28 H new ATOM 0 HB3 LEU A 398 113.655 12.381 -17.791 1.00 0.28 H new ATOM 0 HG LEU A 398 115.023 11.956 -15.103 1.00 0.31 H new ATOM 0 HD11 LEU A 398 115.669 9.714 -15.967 1.00 0.36 H new ATOM 0 HD12 LEU A 398 113.902 9.841 -15.803 1.00 0.36 H new ATOM 0 HD13 LEU A 398 114.658 9.977 -17.408 1.00 0.36 H new ATOM 0 HD21 LEU A 398 117.032 11.770 -16.542 1.00 0.36 H new ATOM 0 HD22 LEU A 398 116.024 12.004 -17.990 1.00 0.36 H new ATOM 0 HD23 LEU A 398 116.204 13.322 -16.809 1.00 0.36 H new ATOM 330 N ARG A 399 111.278 14.266 -16.903 1.00 0.24 N ATOM 331 CA ARG A 399 110.241 14.886 -17.702 1.00 0.28 C ATOM 332 C ARG A 399 110.300 16.404 -17.592 1.00 0.24 C ATOM 333 O ARG A 399 110.204 17.114 -18.592 1.00 0.26 O ATOM 334 CB ARG A 399 108.892 14.407 -17.194 1.00 0.34 C ATOM 335 CG ARG A 399 107.777 14.985 -18.051 1.00 0.41 C ATOM 336 CD ARG A 399 106.450 14.585 -17.434 1.00 0.69 C ATOM 337 NE ARG A 399 105.374 15.030 -18.311 1.00 1.44 N ATOM 338 CZ ARG A 399 104.113 15.005 -17.922 1.00 2.09 C ATOM 339 NH1 ARG A 399 103.828 14.708 -16.680 1.00 2.43 N ATOM 340 NH2 ARG A 399 103.162 15.313 -18.759 1.00 3.03 N ATOM 0 H ARG A 399 110.938 13.603 -16.206 1.00 0.24 H new ATOM 0 HA ARG A 399 110.386 14.610 -18.746 1.00 0.28 H new ATOM 0 HB2 ARG A 399 108.852 13.318 -17.217 1.00 0.34 H new ATOM 0 HB3 ARG A 399 108.757 14.709 -16.155 1.00 0.34 H new ATOM 0 HG2 ARG A 399 107.861 16.071 -18.102 1.00 0.41 H new ATOM 0 HG3 ARG A 399 107.850 14.611 -19.072 1.00 0.41 H new ATOM 0 HD2 ARG A 399 106.406 13.504 -17.300 1.00 0.69 H new ATOM 0 HD3 ARG A 399 106.342 15.033 -16.446 1.00 0.69 H new ATOM 0 HE ARG A 399 105.601 15.368 -19.246 1.00 1.44 H new ATOM 0 HH11 ARG A 399 104.578 14.498 -16.021 1.00 2.43 H new ATOM 0 HH12 ARG A 399 102.856 14.686 -16.371 1.00 2.43 H new ATOM 0 HH21 ARG A 399 103.391 15.574 -19.718 1.00 3.03 H new ATOM 0 HH22 ARG A 399 102.189 15.293 -18.455 1.00 3.03 H new ATOM 354 N LYS A 400 110.429 16.892 -16.367 1.00 0.20 N ATOM 355 CA LYS A 400 110.462 18.327 -16.132 1.00 0.19 C ATOM 356 C LYS A 400 111.648 18.974 -16.831 1.00 0.15 C ATOM 357 O LYS A 400 111.514 20.028 -17.451 1.00 0.16 O ATOM 358 CB LYS A 400 110.540 18.617 -14.635 1.00 0.21 C ATOM 359 CG LYS A 400 110.479 20.129 -14.425 1.00 0.28 C ATOM 360 CD LYS A 400 110.482 20.451 -12.932 1.00 0.82 C ATOM 361 CE LYS A 400 110.403 21.967 -12.754 1.00 1.35 C ATOM 362 NZ LYS A 400 110.812 22.330 -11.369 1.00 1.96 N ATOM 0 H LYS A 400 110.512 16.320 -15.526 1.00 0.20 H new ATOM 0 HA LYS A 400 109.544 18.749 -16.540 1.00 0.19 H new ATOM 0 HB2 LYS A 400 109.717 18.129 -14.112 1.00 0.21 H new ATOM 0 HB3 LYS A 400 111.464 18.215 -14.220 1.00 0.21 H new ATOM 0 HG2 LYS A 400 111.331 20.606 -14.910 1.00 0.28 H new ATOM 0 HG3 LYS A 400 109.580 20.533 -14.890 1.00 0.28 H new ATOM 0 HD2 LYS A 400 109.637 19.969 -12.440 1.00 0.82 H new ATOM 0 HD3 LYS A 400 111.387 20.063 -12.464 1.00 0.82 H new ATOM 0 HE2 LYS A 400 111.051 22.462 -13.477 1.00 1.35 H new ATOM 0 HE3 LYS A 400 109.388 22.313 -12.947 1.00 1.35 H new ATOM 0 HZ1 LYS A 400 110.758 23.362 -11.250 1.00 1.96 H new ATOM 0 HZ2 LYS A 400 110.176 21.869 -10.687 1.00 1.96 H new ATOM 0 HZ3 LYS A 400 111.788 22.013 -11.201 1.00 1.96 H new ATOM 376 N LYS A 401 112.808 18.352 -16.713 1.00 0.15 N ATOM 377 CA LYS A 401 114.004 18.906 -17.327 1.00 0.19 C ATOM 378 C LYS A 401 113.850 18.973 -18.843 1.00 0.21 C ATOM 379 O LYS A 401 114.243 19.951 -19.478 1.00 0.22 O ATOM 380 CB LYS A 401 115.213 18.052 -16.982 1.00 0.26 C ATOM 381 CG LYS A 401 115.478 18.111 -15.479 1.00 0.28 C ATOM 382 CD LYS A 401 116.669 17.209 -15.132 1.00 0.36 C ATOM 383 CE LYS A 401 116.975 17.304 -13.631 1.00 0.59 C ATOM 384 NZ LYS A 401 118.450 17.322 -13.426 1.00 1.42 N ATOM 0 H LYS A 401 112.948 17.478 -16.207 1.00 0.15 H new ATOM 0 HA LYS A 401 114.148 19.915 -16.940 1.00 0.19 H new ATOM 0 HB2 LYS A 401 115.041 17.021 -17.290 1.00 0.26 H new ATOM 0 HB3 LYS A 401 116.087 18.406 -17.529 1.00 0.26 H new ATOM 0 HG2 LYS A 401 115.685 19.137 -15.176 1.00 0.28 H new ATOM 0 HG3 LYS A 401 114.593 17.789 -14.930 1.00 0.28 H new ATOM 0 HD2 LYS A 401 116.446 16.177 -15.402 1.00 0.36 H new ATOM 0 HD3 LYS A 401 117.543 17.508 -15.710 1.00 0.36 H new ATOM 0 HE2 LYS A 401 116.528 18.206 -13.214 1.00 0.59 H new ATOM 0 HE3 LYS A 401 116.534 16.457 -13.105 1.00 0.59 H new ATOM 0 HZ1 LYS A 401 118.658 17.386 -12.409 1.00 1.42 H new ATOM 0 HZ2 LYS A 401 118.865 16.449 -13.810 1.00 1.42 H new ATOM 0 HZ3 LYS A 401 118.859 18.143 -13.916 1.00 1.42 H new ATOM 398 N ILE A 402 113.284 17.919 -19.414 1.00 0.26 N ATOM 399 CA ILE A 402 113.089 17.846 -20.857 1.00 0.34 C ATOM 400 C ILE A 402 112.155 18.950 -21.336 1.00 0.31 C ATOM 401 O ILE A 402 112.419 19.610 -22.344 1.00 0.32 O ATOM 402 CB ILE A 402 112.491 16.484 -21.195 1.00 0.44 C ATOM 403 CG1 ILE A 402 113.538 15.398 -20.941 1.00 0.50 C ATOM 404 CG2 ILE A 402 112.054 16.425 -22.659 1.00 0.55 C ATOM 405 CD1 ILE A 402 112.880 14.020 -21.033 1.00 0.59 C ATOM 0 H ILE A 402 112.952 17.102 -18.901 1.00 0.26 H new ATOM 0 HA ILE A 402 114.049 17.976 -21.357 1.00 0.34 H new ATOM 0 HB ILE A 402 111.616 16.324 -20.565 1.00 0.44 H new ATOM 0 HG12 ILE A 402 114.343 15.477 -21.671 1.00 0.50 H new ATOM 0 HG13 ILE A 402 113.986 15.533 -19.957 1.00 0.50 H new ATOM 0 HG21 ILE A 402 111.631 15.443 -22.873 1.00 0.55 H new ATOM 0 HG22 ILE A 402 111.303 17.192 -22.846 1.00 0.55 H new ATOM 0 HG23 ILE A 402 112.916 16.597 -23.303 1.00 0.55 H new ATOM 0 HD11 ILE A 402 113.627 13.247 -20.852 1.00 0.59 H new ATOM 0 HD12 ILE A 402 112.090 13.943 -20.286 1.00 0.59 H new ATOM 0 HD13 ILE A 402 112.453 13.886 -22.027 1.00 0.59 H new ATOM 417 N GLN A 403 111.065 19.142 -20.608 1.00 0.30 N ATOM 418 CA GLN A 403 110.095 20.168 -20.960 1.00 0.34 C ATOM 419 C GLN A 403 110.721 21.552 -20.825 1.00 0.27 C ATOM 420 O GLN A 403 110.501 22.433 -21.654 1.00 0.29 O ATOM 421 CB GLN A 403 108.873 20.056 -20.043 1.00 0.40 C ATOM 422 CG GLN A 403 108.276 18.633 -20.127 1.00 0.69 C ATOM 423 CD GLN A 403 106.857 18.677 -20.693 1.00 1.45 C ATOM 424 OE1 GLN A 403 106.110 19.616 -20.423 1.00 2.25 O ATOM 425 NE2 GLN A 403 106.444 17.713 -21.470 1.00 2.11 N ATOM 0 H GLN A 403 110.831 18.604 -19.774 1.00 0.30 H new ATOM 0 HA GLN A 403 109.784 20.024 -21.995 1.00 0.34 H new ATOM 0 HB2 GLN A 403 109.158 20.279 -19.015 1.00 0.40 H new ATOM 0 HB3 GLN A 403 108.122 20.792 -20.332 1.00 0.40 H new ATOM 0 HG2 GLN A 403 108.906 18.005 -20.758 1.00 0.69 H new ATOM 0 HG3 GLN A 403 108.264 18.179 -19.136 1.00 0.69 H new ATOM 0 HE21 GLN A 403 107.066 16.935 -21.692 1.00 2.11 H new ATOM 0 HE22 GLN A 403 105.500 17.737 -21.855 1.00 2.11 H new ATOM 434 N ASP A 404 111.521 21.725 -19.782 1.00 0.22 N ATOM 435 CA ASP A 404 112.196 22.996 -19.546 1.00 0.22 C ATOM 436 C ASP A 404 113.140 23.323 -20.706 1.00 0.19 C ATOM 437 O ASP A 404 113.307 24.485 -21.077 1.00 0.21 O ATOM 438 CB ASP A 404 112.988 22.914 -18.221 1.00 0.23 C ATOM 439 CG ASP A 404 112.495 23.941 -17.194 1.00 1.10 C ATOM 440 OD1 ASP A 404 111.667 24.768 -17.539 1.00 1.74 O ATOM 441 OD2 ASP A 404 112.962 23.882 -16.068 1.00 1.37 O ATOM 0 H ASP A 404 111.719 21.005 -19.087 1.00 0.22 H new ATOM 0 HA ASP A 404 111.452 23.790 -19.476 1.00 0.22 H new ATOM 0 HB2 ASP A 404 112.895 21.911 -17.804 1.00 0.23 H new ATOM 0 HB3 ASP A 404 114.047 23.080 -18.420 1.00 0.23 H new ATOM 446 N ALA A 405 113.783 22.292 -21.242 1.00 0.17 N ATOM 447 CA ALA A 405 114.743 22.479 -22.325 1.00 0.19 C ATOM 448 C ALA A 405 114.044 22.808 -23.645 1.00 0.19 C ATOM 449 O ALA A 405 114.703 23.020 -24.663 1.00 0.21 O ATOM 450 CB ALA A 405 115.592 21.213 -22.486 1.00 0.22 C ATOM 0 H ALA A 405 113.659 21.323 -20.947 1.00 0.17 H new ATOM 0 HA ALA A 405 115.383 23.323 -22.067 1.00 0.19 H new ATOM 0 HB1 ALA A 405 116.308 21.356 -23.295 1.00 0.22 H new ATOM 0 HB2 ALA A 405 116.128 21.014 -21.558 1.00 0.22 H new ATOM 0 HB3 ALA A 405 114.944 20.368 -22.719 1.00 0.22 H new ATOM 456 N GLY A 406 112.718 22.889 -23.620 1.00 0.19 N ATOM 457 CA GLY A 406 111.973 23.238 -24.825 1.00 0.21 C ATOM 458 C GLY A 406 111.914 22.071 -25.802 1.00 0.20 C ATOM 459 O GLY A 406 111.722 22.269 -27.002 1.00 0.21 O ATOM 0 H GLY A 406 112.144 22.721 -22.794 1.00 0.19 H new ATOM 0 HA2 GLY A 406 110.961 23.539 -24.554 1.00 0.21 H new ATOM 0 HA3 GLY A 406 112.442 24.095 -25.308 1.00 0.21 H new ATOM 463 N LEU A 407 112.086 20.855 -25.293 1.00 0.19 N ATOM 464 CA LEU A 407 112.053 19.677 -26.154 1.00 0.20 C ATOM 465 C LEU A 407 110.680 19.019 -26.096 1.00 0.20 C ATOM 466 O LEU A 407 110.549 17.868 -25.680 1.00 0.19 O ATOM 467 CB LEU A 407 113.115 18.666 -25.707 1.00 0.21 C ATOM 468 CG LEU A 407 114.527 19.278 -25.789 1.00 0.23 C ATOM 469 CD1 LEU A 407 115.517 18.408 -24.994 1.00 0.24 C ATOM 470 CD2 LEU A 407 115.003 19.353 -27.255 1.00 0.32 C ATOM 0 H LEU A 407 112.247 20.660 -24.305 1.00 0.19 H new ATOM 0 HA LEU A 407 112.260 19.993 -27.177 1.00 0.20 H new ATOM 0 HB2 LEU A 407 112.912 18.347 -24.685 1.00 0.21 H new ATOM 0 HB3 LEU A 407 113.063 17.776 -26.335 1.00 0.21 H new ATOM 0 HG LEU A 407 114.488 20.284 -25.370 1.00 0.23 H new ATOM 0 HD11 LEU A 407 116.514 18.844 -25.054 1.00 0.24 H new ATOM 0 HD12 LEU A 407 115.204 18.361 -23.951 1.00 0.24 H new ATOM 0 HD13 LEU A 407 115.535 17.402 -25.413 1.00 0.24 H new ATOM 0 HD21 LEU A 407 116.002 19.788 -27.291 1.00 0.32 H new ATOM 0 HD22 LEU A 407 115.028 18.350 -27.681 1.00 0.32 H new ATOM 0 HD23 LEU A 407 114.316 19.974 -27.829 1.00 0.32 H new ATOM 482 N SER A 408 109.660 19.764 -26.506 1.00 0.20 N ATOM 483 CA SER A 408 108.297 19.254 -26.482 1.00 0.22 C ATOM 484 C SER A 408 108.175 18.027 -27.378 1.00 0.22 C ATOM 485 O SER A 408 107.188 17.295 -27.311 1.00 0.24 O ATOM 486 CB SER A 408 107.330 20.334 -26.966 1.00 0.24 C ATOM 487 OG SER A 408 107.361 20.390 -28.386 1.00 1.33 O ATOM 0 H SER A 408 109.751 20.717 -26.857 1.00 0.20 H new ATOM 0 HA SER A 408 108.048 18.974 -25.458 1.00 0.22 H new ATOM 0 HB2 SER A 408 106.320 20.115 -26.621 1.00 0.24 H new ATOM 0 HB3 SER A 408 107.607 21.301 -26.546 1.00 0.24 H new ATOM 0 HG SER A 408 106.741 21.081 -28.700 1.00 1.33 H new ATOM 493 N GLN A 409 109.166 17.826 -28.243 1.00 0.22 N ATOM 494 CA GLN A 409 109.135 16.707 -29.177 1.00 0.24 C ATOM 495 C GLN A 409 109.467 15.396 -28.472 1.00 0.24 C ATOM 496 O GLN A 409 109.099 14.319 -28.941 1.00 0.28 O ATOM 497 CB GLN A 409 110.141 16.944 -30.303 1.00 0.24 C ATOM 498 CG GLN A 409 109.780 18.234 -31.039 1.00 0.28 C ATOM 499 CD GLN A 409 110.610 18.360 -32.310 1.00 1.35 C ATOM 500 OE1 GLN A 409 111.675 17.753 -32.423 1.00 2.21 O ATOM 501 NE2 GLN A 409 110.180 19.115 -33.283 1.00 2.02 N ATOM 0 H GLN A 409 109.993 18.418 -28.316 1.00 0.22 H new ATOM 0 HA GLN A 409 108.128 16.636 -29.588 1.00 0.24 H new ATOM 0 HB2 GLN A 409 111.150 17.014 -29.896 1.00 0.24 H new ATOM 0 HB3 GLN A 409 110.134 16.102 -30.996 1.00 0.24 H new ATOM 0 HG2 GLN A 409 108.719 18.236 -31.287 1.00 0.28 H new ATOM 0 HG3 GLN A 409 109.958 19.093 -30.392 1.00 0.28 H new ATOM 0 HE21 GLN A 409 109.297 19.617 -33.187 1.00 2.02 H new ATOM 0 HE22 GLN A 409 110.726 19.203 -34.140 1.00 2.02 H new ATOM 510 N ILE A 410 110.148 15.492 -27.338 1.00 0.21 N ATOM 511 CA ILE A 410 110.498 14.297 -26.582 1.00 0.22 C ATOM 512 C ILE A 410 109.370 13.943 -25.618 1.00 0.23 C ATOM 513 O ILE A 410 108.828 14.813 -24.937 1.00 0.23 O ATOM 514 CB ILE A 410 111.801 14.507 -25.801 1.00 0.21 C ATOM 515 CG1 ILE A 410 112.939 14.802 -26.789 1.00 0.25 C ATOM 516 CG2 ILE A 410 112.133 13.239 -24.982 1.00 0.23 C ATOM 517 CD1 ILE A 410 114.216 15.172 -26.025 1.00 0.27 C ATOM 0 H ILE A 410 110.465 16.370 -26.926 1.00 0.21 H new ATOM 0 HA ILE A 410 110.645 13.477 -27.285 1.00 0.22 H new ATOM 0 HB ILE A 410 111.684 15.348 -25.117 1.00 0.21 H new ATOM 0 HG12 ILE A 410 113.121 13.930 -27.417 1.00 0.25 H new ATOM 0 HG13 ILE A 410 112.653 15.618 -27.452 1.00 0.25 H new ATOM 0 HG21 ILE A 410 113.060 13.395 -24.430 1.00 0.23 H new ATOM 0 HG22 ILE A 410 111.323 13.036 -24.282 1.00 0.23 H new ATOM 0 HG23 ILE A 410 112.251 12.391 -25.656 1.00 0.23 H new ATOM 0 HD11 ILE A 410 115.017 15.379 -26.734 1.00 0.27 H new ATOM 0 HD12 ILE A 410 114.032 16.057 -25.416 1.00 0.27 H new ATOM 0 HD13 ILE A 410 114.508 14.343 -25.381 1.00 0.27 H new ATOM 529 N SER A 411 109.006 12.664 -25.583 1.00 0.26 N ATOM 530 CA SER A 411 107.920 12.201 -24.721 1.00 0.29 C ATOM 531 C SER A 411 108.471 11.383 -23.559 1.00 0.23 C ATOM 532 O SER A 411 109.479 10.690 -23.707 1.00 0.34 O ATOM 533 CB SER A 411 106.944 11.350 -25.532 1.00 0.45 C ATOM 534 OG SER A 411 106.263 10.457 -24.661 1.00 1.43 O ATOM 0 H SER A 411 109.445 11.931 -26.140 1.00 0.26 H new ATOM 0 HA SER A 411 107.399 13.070 -24.320 1.00 0.29 H new ATOM 0 HB2 SER A 411 106.228 11.990 -26.048 1.00 0.45 H new ATOM 0 HB3 SER A 411 107.481 10.790 -26.298 1.00 0.45 H new ATOM 0 HG SER A 411 105.635 9.911 -25.178 1.00 1.43 H new ATOM 540 N VAL A 412 107.819 11.488 -22.400 1.00 0.22 N ATOM 541 CA VAL A 412 108.267 10.771 -21.205 1.00 0.22 C ATOM 542 C VAL A 412 107.130 10.029 -20.516 1.00 0.22 C ATOM 543 O VAL A 412 106.099 10.609 -20.175 1.00 0.27 O ATOM 544 CB VAL A 412 108.905 11.759 -20.219 1.00 0.34 C ATOM 545 CG1 VAL A 412 108.954 11.157 -18.805 1.00 1.33 C ATOM 546 CG2 VAL A 412 110.329 12.055 -20.671 1.00 1.21 C ATOM 0 H VAL A 412 106.985 12.058 -22.263 1.00 0.22 H new ATOM 0 HA VAL A 412 108.999 10.029 -21.525 1.00 0.22 H new ATOM 0 HB VAL A 412 108.308 12.670 -20.198 1.00 0.34 H new ATOM 0 HG11 VAL A 412 109.410 11.873 -18.121 1.00 1.33 H new ATOM 0 HG12 VAL A 412 107.942 10.929 -18.471 1.00 1.33 H new ATOM 0 HG13 VAL A 412 109.546 10.242 -18.820 1.00 1.33 H new ATOM 0 HG21 VAL A 412 110.793 12.756 -19.977 1.00 1.21 H new ATOM 0 HG22 VAL A 412 110.905 11.130 -20.690 1.00 1.21 H new ATOM 0 HG23 VAL A 412 110.310 12.491 -21.670 1.00 1.21 H new ATOM 556 N THR A 413 107.374 8.752 -20.257 1.00 0.21 N ATOM 557 CA THR A 413 106.410 7.930 -19.533 1.00 0.24 C ATOM 558 C THR A 413 107.132 6.881 -18.697 1.00 0.20 C ATOM 559 O THR A 413 108.345 6.719 -18.798 1.00 0.22 O ATOM 560 CB THR A 413 105.444 7.251 -20.504 1.00 0.28 C ATOM 561 OG1 THR A 413 106.077 6.126 -21.094 1.00 0.28 O ATOM 562 CG2 THR A 413 105.030 8.243 -21.591 1.00 0.32 C ATOM 0 H THR A 413 108.225 8.263 -20.535 1.00 0.21 H new ATOM 0 HA THR A 413 105.838 8.578 -18.870 1.00 0.24 H new ATOM 0 HB THR A 413 104.557 6.921 -19.964 1.00 0.28 H new ATOM 0 HG1 THR A 413 105.457 5.690 -21.715 1.00 0.28 H new ATOM 0 HG21 THR A 413 104.341 7.758 -22.283 1.00 0.32 H new ATOM 0 HG22 THR A 413 104.539 9.101 -21.132 1.00 0.32 H new ATOM 0 HG23 THR A 413 105.914 8.578 -22.134 1.00 0.32 H new ATOM 570 N ASN A 414 106.384 6.159 -17.872 1.00 0.22 N ATOM 571 CA ASN A 414 106.975 5.110 -17.048 1.00 0.21 C ATOM 572 C ASN A 414 106.096 3.873 -17.078 1.00 0.20 C ATOM 573 O ASN A 414 104.885 3.966 -17.273 1.00 0.23 O ATOM 574 CB ASN A 414 107.141 5.587 -15.606 1.00 0.26 C ATOM 575 CG ASN A 414 105.784 5.901 -14.988 1.00 0.75 C ATOM 576 OD1 ASN A 414 104.749 5.705 -15.624 1.00 1.33 O ATOM 577 ND2 ASN A 414 105.729 6.381 -13.776 1.00 0.99 N ATOM 0 H ASN A 414 105.378 6.278 -17.755 1.00 0.22 H new ATOM 0 HA ASN A 414 107.958 4.867 -17.451 1.00 0.21 H new ATOM 0 HB2 ASN A 414 107.646 4.820 -15.019 1.00 0.26 H new ATOM 0 HB3 ASN A 414 107.773 6.475 -15.581 1.00 0.26 H new ATOM 0 HD21 ASN A 414 104.826 6.595 -13.353 1.00 0.99 H new ATOM 0 HD22 ASN A 414 106.589 6.542 -13.252 1.00 0.99 H new ATOM 584 N SER A 415 106.711 2.714 -16.890 1.00 0.19 N ATOM 585 CA SER A 415 105.974 1.463 -16.905 1.00 0.20 C ATOM 586 C SER A 415 106.834 0.343 -16.333 1.00 0.19 C ATOM 587 O SER A 415 108.047 0.491 -16.189 1.00 0.19 O ATOM 588 CB SER A 415 105.551 1.128 -18.340 1.00 0.23 C ATOM 589 OG SER A 415 105.937 -0.204 -18.650 1.00 1.38 O ATOM 0 H SER A 415 107.713 2.616 -16.726 1.00 0.19 H new ATOM 0 HA SER A 415 105.081 1.566 -16.288 1.00 0.20 H new ATOM 0 HB2 SER A 415 104.472 1.239 -18.448 1.00 0.23 H new ATOM 0 HB3 SER A 415 106.015 1.824 -19.039 1.00 0.23 H new ATOM 0 HG SER A 415 106.478 -0.206 -19.467 1.00 1.38 H new ATOM 595 N ALA A 416 106.201 -0.775 -16.007 1.00 0.20 N ATOM 596 CA ALA A 416 106.920 -1.914 -15.448 1.00 0.20 C ATOM 597 C ALA A 416 107.907 -2.479 -16.474 1.00 0.22 C ATOM 598 O ALA A 416 107.705 -2.345 -17.680 1.00 0.22 O ATOM 599 CB ALA A 416 105.913 -2.997 -15.022 1.00 0.23 C ATOM 0 H ALA A 416 105.197 -0.919 -16.118 1.00 0.20 H new ATOM 0 HA ALA A 416 107.485 -1.586 -14.576 1.00 0.20 H new ATOM 0 HB1 ALA A 416 106.450 -3.849 -14.604 1.00 0.23 H new ATOM 0 HB2 ALA A 416 105.237 -2.590 -14.270 1.00 0.23 H new ATOM 0 HB3 ALA A 416 105.338 -3.321 -15.890 1.00 0.23 H new ATOM 605 N ILE A 417 108.967 -3.120 -15.990 1.00 0.24 N ATOM 606 CA ILE A 417 109.964 -3.702 -16.886 1.00 0.28 C ATOM 607 C ILE A 417 109.302 -4.722 -17.798 1.00 0.30 C ATOM 608 O ILE A 417 109.596 -4.781 -18.992 1.00 0.32 O ATOM 609 CB ILE A 417 111.080 -4.375 -16.079 1.00 0.31 C ATOM 610 CG1 ILE A 417 111.878 -3.307 -15.337 1.00 0.33 C ATOM 611 CG2 ILE A 417 112.040 -5.135 -17.006 1.00 0.36 C ATOM 612 CD1 ILE A 417 112.863 -3.973 -14.380 1.00 0.37 C ATOM 0 H ILE A 417 109.158 -3.249 -14.996 1.00 0.24 H new ATOM 0 HA ILE A 417 110.400 -2.906 -17.490 1.00 0.28 H new ATOM 0 HB ILE A 417 110.623 -5.075 -15.379 1.00 0.31 H new ATOM 0 HG12 ILE A 417 112.415 -2.680 -16.049 1.00 0.33 H new ATOM 0 HG13 ILE A 417 111.203 -2.654 -14.783 1.00 0.33 H new ATOM 0 HG21 ILE A 417 112.824 -5.605 -16.412 1.00 0.36 H new ATOM 0 HG22 ILE A 417 111.489 -5.902 -17.551 1.00 0.36 H new ATOM 0 HG23 ILE A 417 112.489 -4.439 -17.714 1.00 0.36 H new ATOM 0 HD11 ILE A 417 113.431 -3.207 -13.852 1.00 0.37 H new ATOM 0 HD12 ILE A 417 112.316 -4.581 -13.659 1.00 0.37 H new ATOM 0 HD13 ILE A 417 113.546 -4.607 -14.945 1.00 0.37 H new ATOM 624 N ASN A 418 108.414 -5.532 -17.236 1.00 0.30 N ATOM 625 CA ASN A 418 107.734 -6.548 -18.024 1.00 0.33 C ATOM 626 C ASN A 418 107.056 -5.904 -19.225 1.00 0.35 C ATOM 627 O ASN A 418 106.717 -6.584 -20.193 1.00 0.38 O ATOM 628 CB ASN A 418 106.673 -7.264 -17.171 1.00 0.34 C ATOM 629 CG ASN A 418 107.264 -8.481 -16.457 1.00 1.27 C ATOM 630 OD1 ASN A 418 108.221 -9.170 -17.019 1.00 1.87 O flip ATOM 631 ND2 ASN A 418 106.827 -8.822 -15.358 1.00 2.02 N flip ATOM 0 H ASN A 418 108.151 -5.506 -16.251 1.00 0.30 H new ATOM 0 HA ASN A 418 108.473 -7.274 -18.364 1.00 0.33 H new ATOM 0 HB2 ASN A 418 106.266 -6.570 -16.436 1.00 0.34 H new ATOM 0 HB3 ASN A 418 105.845 -7.579 -17.806 1.00 0.34 H new ATOM 0 HD21 ASN A 418 106.080 -8.285 -14.917 1.00 2.02 H new ATOM 0 HD22 ASN A 418 107.212 -9.641 -14.888 1.00 2.02 H new ATOM 638 N ASN A 419 106.843 -4.589 -19.155 1.00 0.33 N ATOM 639 CA ASN A 419 106.184 -3.865 -20.235 1.00 0.37 C ATOM 640 C ASN A 419 107.082 -2.752 -20.793 1.00 0.38 C ATOM 641 O ASN A 419 107.089 -1.637 -20.273 1.00 0.42 O ATOM 642 CB ASN A 419 104.874 -3.255 -19.694 1.00 0.39 C ATOM 643 CG ASN A 419 103.644 -3.858 -20.376 1.00 1.22 C ATOM 644 OD1 ASN A 419 103.750 -4.486 -21.429 1.00 2.00 O ATOM 645 ND2 ASN A 419 102.470 -3.690 -19.832 1.00 1.88 N ATOM 0 H ASN A 419 107.118 -4.008 -18.363 1.00 0.33 H new ATOM 0 HA ASN A 419 105.974 -4.561 -21.047 1.00 0.37 H new ATOM 0 HB2 ASN A 419 104.812 -3.422 -18.619 1.00 0.39 H new ATOM 0 HB3 ASN A 419 104.884 -2.176 -19.849 1.00 0.39 H new ATOM 0 HD21 ASN A 419 101.640 -4.079 -20.280 1.00 1.88 H new ATOM 0 HD22 ASN A 419 102.382 -3.170 -18.959 1.00 1.88 H new ATOM 652 N LEU A 420 107.766 -3.033 -21.899 1.00 0.37 N ATOM 653 CA LEU A 420 108.576 -2.014 -22.569 1.00 0.39 C ATOM 654 C LEU A 420 108.408 -2.159 -24.084 1.00 0.41 C ATOM 655 O LEU A 420 108.828 -3.167 -24.653 1.00 0.63 O ATOM 656 CB LEU A 420 110.062 -2.152 -22.223 1.00 0.40 C ATOM 657 CG LEU A 420 110.286 -1.894 -20.726 1.00 0.41 C ATOM 658 CD1 LEU A 420 111.750 -2.191 -20.361 1.00 0.44 C ATOM 659 CD2 LEU A 420 109.962 -0.422 -20.397 1.00 0.51 C ATOM 0 H LEU A 420 107.778 -3.948 -22.349 1.00 0.37 H new ATOM 0 HA LEU A 420 108.235 -1.036 -22.229 1.00 0.39 H new ATOM 0 HB2 LEU A 420 110.412 -3.151 -22.483 1.00 0.40 H new ATOM 0 HB3 LEU A 420 110.647 -1.446 -22.812 1.00 0.40 H new ATOM 0 HG LEU A 420 109.630 -2.546 -20.149 1.00 0.41 H new ATOM 0 HD11 LEU A 420 111.905 -2.007 -19.298 1.00 0.44 H new ATOM 0 HD12 LEU A 420 111.977 -3.233 -20.585 1.00 0.44 H new ATOM 0 HD13 LEU A 420 112.408 -1.544 -20.941 1.00 0.44 H new ATOM 0 HD21 LEU A 420 110.122 -0.243 -19.334 1.00 0.51 H new ATOM 0 HD22 LEU A 420 110.613 0.232 -20.977 1.00 0.51 H new ATOM 0 HD23 LEU A 420 108.922 -0.214 -20.647 1.00 0.51 H new ATOM 671 N PRO A 421 107.796 -1.209 -24.753 1.00 0.30 N ATOM 672 CA PRO A 421 107.590 -1.316 -26.220 1.00 0.32 C ATOM 673 C PRO A 421 108.930 -1.428 -26.966 1.00 0.31 C ATOM 674 O PRO A 421 109.877 -0.712 -26.643 1.00 0.36 O ATOM 675 CB PRO A 421 106.829 -0.039 -26.621 1.00 0.37 C ATOM 676 CG PRO A 421 106.655 0.795 -25.381 1.00 0.77 C ATOM 677 CD PRO A 421 107.257 0.039 -24.193 1.00 0.45 C ATOM 0 HA PRO A 421 107.031 -2.214 -26.482 1.00 0.32 H new ATOM 0 HB2 PRO A 421 107.382 0.514 -27.380 1.00 0.37 H new ATOM 0 HB3 PRO A 421 105.860 -0.290 -27.053 1.00 0.37 H new ATOM 0 HG2 PRO A 421 107.146 1.760 -25.503 1.00 0.77 H new ATOM 0 HG3 PRO A 421 105.598 0.995 -25.205 1.00 0.77 H new ATOM 0 HD2 PRO A 421 108.041 0.624 -23.712 1.00 0.45 H new ATOM 0 HD3 PRO A 421 106.501 -0.166 -23.435 1.00 0.45 H new ATOM 685 N PRO A 422 109.036 -2.302 -27.944 1.00 0.31 N ATOM 686 CA PRO A 422 110.305 -2.472 -28.708 1.00 0.33 C ATOM 687 C PRO A 422 110.716 -1.197 -29.451 1.00 0.35 C ATOM 688 O PRO A 422 111.861 -1.074 -29.886 1.00 0.45 O ATOM 689 CB PRO A 422 110.029 -3.612 -29.709 1.00 0.36 C ATOM 690 CG PRO A 422 108.576 -3.976 -29.591 1.00 0.67 C ATOM 691 CD PRO A 422 107.978 -3.218 -28.402 1.00 0.40 C ATOM 0 HA PRO A 422 111.131 -2.697 -28.034 1.00 0.33 H new ATOM 0 HB2 PRO A 422 110.263 -3.295 -30.725 1.00 0.36 H new ATOM 0 HB3 PRO A 422 110.659 -4.474 -29.491 1.00 0.36 H new ATOM 0 HG2 PRO A 422 108.046 -3.720 -30.508 1.00 0.67 H new ATOM 0 HG3 PRO A 422 108.466 -5.051 -29.449 1.00 0.67 H new ATOM 0 HD2 PRO A 422 107.084 -2.668 -28.697 1.00 0.40 H new ATOM 0 HD3 PRO A 422 107.683 -3.904 -27.608 1.00 0.40 H new ATOM 699 N ASP A 423 109.777 -0.274 -29.635 1.00 0.31 N ATOM 700 CA ASP A 423 110.080 0.946 -30.377 1.00 0.34 C ATOM 701 C ASP A 423 110.773 1.984 -29.498 1.00 0.30 C ATOM 702 O ASP A 423 111.168 3.042 -29.988 1.00 0.30 O ATOM 703 CB ASP A 423 108.793 1.563 -30.928 1.00 0.39 C ATOM 704 CG ASP A 423 107.913 0.487 -31.553 1.00 1.43 C ATOM 705 OD1 ASP A 423 108.360 -0.645 -31.634 1.00 2.33 O ATOM 706 OD2 ASP A 423 106.803 0.812 -31.941 1.00 1.72 O ATOM 0 H ASP A 423 108.820 -0.343 -29.289 1.00 0.31 H new ATOM 0 HA ASP A 423 110.749 0.668 -31.191 1.00 0.34 H new ATOM 0 HB2 ASP A 423 108.251 2.065 -30.127 1.00 0.39 H new ATOM 0 HB3 ASP A 423 109.035 2.321 -31.673 1.00 0.39 H new ATOM 711 N VAL A 424 110.913 1.705 -28.202 1.00 0.28 N ATOM 712 CA VAL A 424 111.547 2.660 -27.300 1.00 0.25 C ATOM 713 C VAL A 424 113.004 2.880 -27.693 1.00 0.22 C ATOM 714 O VAL A 424 113.715 1.936 -28.038 1.00 0.21 O ATOM 715 CB VAL A 424 111.457 2.162 -25.849 1.00 0.26 C ATOM 716 CG1 VAL A 424 112.347 0.926 -25.654 1.00 0.24 C ATOM 717 CG2 VAL A 424 111.900 3.280 -24.889 1.00 0.25 C ATOM 0 H VAL A 424 110.601 0.840 -27.761 1.00 0.28 H new ATOM 0 HA VAL A 424 111.020 3.611 -27.378 1.00 0.25 H new ATOM 0 HB VAL A 424 110.424 1.888 -25.633 1.00 0.26 H new ATOM 0 HG11 VAL A 424 112.274 0.584 -24.622 1.00 0.24 H new ATOM 0 HG12 VAL A 424 112.018 0.131 -26.324 1.00 0.24 H new ATOM 0 HG13 VAL A 424 113.382 1.184 -25.878 1.00 0.24 H new ATOM 0 HG21 VAL A 424 111.835 2.924 -23.861 1.00 0.25 H new ATOM 0 HG22 VAL A 424 112.929 3.563 -25.111 1.00 0.25 H new ATOM 0 HG23 VAL A 424 111.250 4.146 -25.015 1.00 0.25 H new ATOM 727 N ASP A 425 113.434 4.136 -27.650 1.00 0.20 N ATOM 728 CA ASP A 425 114.804 4.477 -28.014 1.00 0.18 C ATOM 729 C ASP A 425 115.702 4.522 -26.783 1.00 0.13 C ATOM 730 O ASP A 425 116.845 4.061 -26.822 1.00 0.13 O ATOM 731 CB ASP A 425 114.825 5.833 -28.720 1.00 0.21 C ATOM 732 CG ASP A 425 114.203 5.699 -30.106 1.00 0.93 C ATOM 733 OD1 ASP A 425 114.126 4.583 -30.592 1.00 1.62 O ATOM 734 OD2 ASP A 425 113.804 6.711 -30.656 1.00 1.32 O ATOM 0 H ASP A 425 112.858 4.930 -27.369 1.00 0.20 H new ATOM 0 HA ASP A 425 115.184 3.707 -28.686 1.00 0.18 H new ATOM 0 HB2 ASP A 425 114.275 6.568 -28.133 1.00 0.21 H new ATOM 0 HB3 ASP A 425 115.850 6.195 -28.804 1.00 0.21 H new ATOM 739 N LEU A 426 115.181 5.076 -25.690 1.00 0.14 N ATOM 740 CA LEU A 426 115.951 5.176 -24.451 1.00 0.15 C ATOM 741 C LEU A 426 115.218 4.517 -23.295 1.00 0.14 C ATOM 742 O LEU A 426 114.039 4.782 -23.057 1.00 0.15 O ATOM 743 CB LEU A 426 116.192 6.645 -24.085 1.00 0.19 C ATOM 744 CG LEU A 426 117.102 7.326 -25.108 1.00 0.35 C ATOM 745 CD1 LEU A 426 116.937 8.840 -24.973 1.00 0.30 C ATOM 746 CD2 LEU A 426 118.571 6.969 -24.835 1.00 0.60 C ATOM 0 H LEU A 426 114.237 5.460 -25.636 1.00 0.14 H new ATOM 0 HA LEU A 426 116.900 4.668 -24.621 1.00 0.15 H new ATOM 0 HB2 LEU A 426 115.239 7.171 -24.035 1.00 0.19 H new ATOM 0 HB3 LEU A 426 116.643 6.707 -23.095 1.00 0.19 H new ATOM 0 HG LEU A 426 116.831 6.991 -26.109 1.00 0.35 H new ATOM 0 HD11 LEU A 426 117.580 9.342 -25.696 1.00 0.30 H new ATOM 0 HD12 LEU A 426 115.898 9.111 -25.161 1.00 0.30 H new ATOM 0 HD13 LEU A 426 117.215 9.148 -23.965 1.00 0.30 H new ATOM 0 HD21 LEU A 426 119.208 7.461 -25.571 1.00 0.60 H new ATOM 0 HD22 LEU A 426 118.847 7.304 -23.835 1.00 0.60 H new ATOM 0 HD23 LEU A 426 118.702 5.889 -24.905 1.00 0.60 H new ATOM 758 N VAL A 427 115.949 3.705 -22.543 1.00 0.15 N ATOM 759 CA VAL A 427 115.395 3.056 -21.366 1.00 0.16 C ATOM 760 C VAL A 427 116.238 3.415 -20.148 1.00 0.15 C ATOM 761 O VAL A 427 117.463 3.290 -20.174 1.00 0.15 O ATOM 762 CB VAL A 427 115.384 1.546 -21.566 1.00 0.19 C ATOM 763 CG1 VAL A 427 115.033 0.869 -20.247 1.00 0.23 C ATOM 764 CG2 VAL A 427 114.339 1.177 -22.622 1.00 0.26 C ATOM 0 H VAL A 427 116.927 3.481 -22.728 1.00 0.15 H new ATOM 0 HA VAL A 427 114.372 3.397 -21.209 1.00 0.16 H new ATOM 0 HB VAL A 427 116.367 1.214 -21.899 1.00 0.19 H new ATOM 0 HG11 VAL A 427 115.024 -0.212 -20.384 1.00 0.23 H new ATOM 0 HG12 VAL A 427 115.775 1.133 -19.494 1.00 0.23 H new ATOM 0 HG13 VAL A 427 114.048 1.202 -19.918 1.00 0.23 H new ATOM 0 HG21 VAL A 427 114.332 0.096 -22.765 1.00 0.26 H new ATOM 0 HG22 VAL A 427 113.354 1.506 -22.290 1.00 0.26 H new ATOM 0 HG23 VAL A 427 114.586 1.666 -23.565 1.00 0.26 H new ATOM 774 N ILE A 428 115.583 3.889 -19.093 1.00 0.16 N ATOM 775 CA ILE A 428 116.292 4.296 -17.881 1.00 0.16 C ATOM 776 C ILE A 428 115.813 3.480 -16.684 1.00 0.18 C ATOM 777 O ILE A 428 114.646 3.558 -16.305 1.00 0.20 O ATOM 778 CB ILE A 428 116.026 5.781 -17.628 1.00 0.18 C ATOM 779 CG1 ILE A 428 116.531 6.597 -18.822 1.00 0.19 C ATOM 780 CG2 ILE A 428 116.755 6.226 -16.360 1.00 0.20 C ATOM 781 CD1 ILE A 428 116.019 8.032 -18.718 1.00 0.21 C ATOM 0 H ILE A 428 114.570 4.001 -19.050 1.00 0.16 H new ATOM 0 HA ILE A 428 117.360 4.123 -18.014 1.00 0.16 H new ATOM 0 HB ILE A 428 114.955 5.942 -17.502 1.00 0.18 H new ATOM 0 HG12 ILE A 428 117.621 6.590 -18.845 1.00 0.19 H new ATOM 0 HG13 ILE A 428 116.190 6.146 -19.754 1.00 0.19 H new ATOM 0 HG21 ILE A 428 116.563 7.284 -16.183 1.00 0.20 H new ATOM 0 HG22 ILE A 428 116.396 5.645 -15.511 1.00 0.20 H new ATOM 0 HG23 ILE A 428 117.826 6.067 -16.481 1.00 0.20 H new ATOM 0 HD11 ILE A 428 116.380 8.610 -19.569 1.00 0.21 H new ATOM 0 HD12 ILE A 428 114.929 8.030 -18.717 1.00 0.21 H new ATOM 0 HD13 ILE A 428 116.382 8.482 -17.794 1.00 0.21 H new ATOM 793 N THR A 429 116.710 2.696 -16.083 1.00 0.17 N ATOM 794 CA THR A 429 116.331 1.880 -14.922 1.00 0.18 C ATOM 795 C THR A 429 117.465 1.828 -13.909 1.00 0.17 C ATOM 796 O THR A 429 118.589 2.244 -14.193 1.00 0.18 O ATOM 797 CB THR A 429 116.004 0.428 -15.317 1.00 0.19 C ATOM 798 OG1 THR A 429 117.210 -0.320 -15.353 1.00 0.71 O ATOM 799 CG2 THR A 429 115.324 0.348 -16.689 1.00 0.61 C ATOM 0 H THR A 429 117.684 2.607 -16.371 1.00 0.17 H new ATOM 0 HA THR A 429 115.446 2.352 -14.495 1.00 0.18 H new ATOM 0 HB THR A 429 115.314 0.022 -14.577 1.00 0.19 H new ATOM 0 HG1 THR A 429 117.100 -1.143 -14.833 1.00 0.71 H new ATOM 0 HG21 THR A 429 115.111 -0.694 -16.929 1.00 0.61 H new ATOM 0 HG22 THR A 429 114.392 0.913 -16.667 1.00 0.61 H new ATOM 0 HG23 THR A 429 115.985 0.767 -17.448 1.00 0.61 H new ATOM 807 N HIS A 430 117.176 1.259 -12.741 1.00 0.19 N ATOM 808 CA HIS A 430 118.195 1.097 -11.716 1.00 0.20 C ATOM 809 C HIS A 430 119.158 -0.015 -12.127 1.00 0.19 C ATOM 810 O HIS A 430 118.744 -1.045 -12.664 1.00 0.17 O ATOM 811 CB HIS A 430 117.551 0.759 -10.369 1.00 0.23 C ATOM 812 CG HIS A 430 118.591 0.837 -9.283 1.00 0.25 C ATOM 813 ND1 HIS A 430 119.462 -0.206 -9.020 1.00 0.32 N ATOM 814 CD2 HIS A 430 118.912 1.828 -8.387 1.00 0.35 C ATOM 815 CE1 HIS A 430 120.259 0.175 -8.005 1.00 0.33 C ATOM 816 NE2 HIS A 430 119.966 1.407 -7.581 1.00 0.35 N ATOM 0 H HIS A 430 116.253 0.907 -12.486 1.00 0.19 H new ATOM 0 HA HIS A 430 118.744 2.033 -11.611 1.00 0.20 H new ATOM 0 HB2 HIS A 430 116.737 1.453 -10.159 1.00 0.23 H new ATOM 0 HB3 HIS A 430 117.118 -0.241 -10.401 1.00 0.23 H new ATOM 0 HD2 HIS A 430 118.421 2.788 -8.318 1.00 0.35 H new ATOM 0 HE1 HIS A 430 121.040 -0.441 -7.584 1.00 0.33 H new ATOM 0 HE2 HIS A 430 120.417 1.927 -6.829 1.00 0.35 H new ATOM 824 N ARG A 431 120.443 0.231 -11.929 1.00 0.21 N ATOM 825 CA ARG A 431 121.479 -0.714 -12.330 1.00 0.22 C ATOM 826 C ARG A 431 121.117 -2.148 -11.960 1.00 0.21 C ATOM 827 O ARG A 431 121.490 -3.089 -12.660 1.00 0.21 O ATOM 828 CB ARG A 431 122.789 -0.337 -11.660 1.00 0.27 C ATOM 829 CG ARG A 431 123.899 -1.224 -12.202 1.00 0.30 C ATOM 830 CD ARG A 431 125.202 -0.868 -11.502 1.00 0.40 C ATOM 831 NE ARG A 431 126.323 -1.440 -12.223 1.00 1.33 N ATOM 832 CZ ARG A 431 127.558 -1.022 -11.988 1.00 1.98 C ATOM 833 NH1 ARG A 431 127.779 -0.162 -11.030 1.00 2.26 N ATOM 834 NH2 ARG A 431 128.549 -1.476 -12.704 1.00 2.96 N ATOM 0 H ARG A 431 120.797 1.081 -11.491 1.00 0.21 H new ATOM 0 HA ARG A 431 121.576 -0.664 -13.415 1.00 0.22 H new ATOM 0 HB2 ARG A 431 123.020 0.711 -11.849 1.00 0.27 H new ATOM 0 HB3 ARG A 431 122.707 -0.456 -10.580 1.00 0.27 H new ATOM 0 HG2 ARG A 431 123.657 -2.274 -12.036 1.00 0.30 H new ATOM 0 HG3 ARG A 431 124.000 -1.086 -13.279 1.00 0.30 H new ATOM 0 HD2 ARG A 431 125.310 0.215 -11.445 1.00 0.40 H new ATOM 0 HD3 ARG A 431 125.188 -1.241 -10.478 1.00 0.40 H new ATOM 0 HE ARG A 431 126.159 -2.170 -12.916 1.00 1.33 H new ATOM 0 HH11 ARG A 431 127.003 0.185 -10.467 1.00 2.26 H new ATOM 0 HH12 ARG A 431 128.728 0.163 -10.845 1.00 2.26 H new ATOM 0 HH21 ARG A 431 128.374 -2.154 -13.446 1.00 2.96 H new ATOM 0 HH22 ARG A 431 129.499 -1.153 -12.522 1.00 2.96 H new ATOM 848 N ASP A 432 120.421 -2.315 -10.849 1.00 0.21 N ATOM 849 CA ASP A 432 120.071 -3.658 -10.405 1.00 0.21 C ATOM 850 C ASP A 432 119.122 -4.329 -11.389 1.00 0.19 C ATOM 851 O ASP A 432 119.010 -5.555 -11.402 1.00 0.19 O ATOM 852 CB ASP A 432 119.417 -3.608 -9.006 1.00 0.22 C ATOM 853 CG ASP A 432 120.430 -3.925 -7.900 1.00 1.27 C ATOM 854 OD1 ASP A 432 121.518 -4.378 -8.216 1.00 2.05 O ATOM 855 OD2 ASP A 432 120.093 -3.719 -6.746 1.00 1.53 O ATOM 0 H ASP A 432 120.092 -1.559 -10.248 1.00 0.21 H new ATOM 0 HA ASP A 432 120.989 -4.243 -10.353 1.00 0.21 H new ATOM 0 HB2 ASP A 432 118.991 -2.619 -8.838 1.00 0.22 H new ATOM 0 HB3 ASP A 432 118.594 -4.321 -8.962 1.00 0.22 H new ATOM 860 N LEU A 433 118.407 -3.537 -12.184 1.00 0.19 N ATOM 861 CA LEU A 433 117.442 -4.101 -13.123 1.00 0.18 C ATOM 862 C LEU A 433 117.780 -3.740 -14.577 1.00 0.17 C ATOM 863 O LEU A 433 117.043 -4.102 -15.502 1.00 0.18 O ATOM 864 CB LEU A 433 116.049 -3.584 -12.771 1.00 0.20 C ATOM 865 CG LEU A 433 115.765 -3.808 -11.278 1.00 0.25 C ATOM 866 CD1 LEU A 433 114.507 -3.025 -10.888 1.00 0.26 C ATOM 867 CD2 LEU A 433 115.550 -5.312 -10.988 1.00 0.35 C ATOM 0 H LEU A 433 118.475 -2.519 -12.198 1.00 0.19 H new ATOM 0 HA LEU A 433 117.477 -5.187 -13.040 1.00 0.18 H new ATOM 0 HB2 LEU A 433 115.976 -2.523 -13.008 1.00 0.20 H new ATOM 0 HB3 LEU A 433 115.299 -4.097 -13.373 1.00 0.20 H new ATOM 0 HG LEU A 433 116.618 -3.461 -10.695 1.00 0.25 H new ATOM 0 HD11 LEU A 433 114.297 -3.178 -9.829 1.00 0.26 H new ATOM 0 HD12 LEU A 433 114.666 -1.963 -11.077 1.00 0.26 H new ATOM 0 HD13 LEU A 433 113.662 -3.376 -11.480 1.00 0.26 H new ATOM 0 HD21 LEU A 433 115.350 -5.453 -9.926 1.00 0.35 H new ATOM 0 HD22 LEU A 433 114.703 -5.677 -11.568 1.00 0.35 H new ATOM 0 HD23 LEU A 433 116.446 -5.868 -11.265 1.00 0.35 H new ATOM 879 N THR A 434 118.887 -3.033 -14.786 1.00 0.17 N ATOM 880 CA THR A 434 119.277 -2.659 -16.146 1.00 0.17 C ATOM 881 C THR A 434 119.564 -3.899 -16.987 1.00 0.17 C ATOM 882 O THR A 434 119.282 -3.917 -18.185 1.00 0.17 O ATOM 883 CB THR A 434 120.510 -1.748 -16.133 1.00 0.19 C ATOM 884 OG1 THR A 434 121.425 -2.203 -15.148 1.00 0.21 O ATOM 885 CG2 THR A 434 120.102 -0.299 -15.841 1.00 0.20 C ATOM 0 H THR A 434 119.518 -2.713 -14.052 1.00 0.17 H new ATOM 0 HA THR A 434 118.444 -2.115 -16.590 1.00 0.17 H new ATOM 0 HB THR A 434 120.986 -1.782 -17.113 1.00 0.19 H new ATOM 0 HG1 THR A 434 122.234 -1.651 -15.173 1.00 0.21 H new ATOM 0 HG21 THR A 434 120.989 0.335 -15.835 1.00 0.20 H new ATOM 0 HG22 THR A 434 119.413 0.047 -16.612 1.00 0.20 H new ATOM 0 HG23 THR A 434 119.613 -0.248 -14.868 1.00 0.20 H new ATOM 893 N GLU A 435 120.088 -4.946 -16.356 1.00 0.18 N ATOM 894 CA GLU A 435 120.355 -6.188 -17.076 1.00 0.19 C ATOM 895 C GLU A 435 119.071 -6.707 -17.708 1.00 0.19 C ATOM 896 O GLU A 435 119.058 -7.130 -18.864 1.00 0.21 O ATOM 897 CB GLU A 435 120.909 -7.252 -16.124 1.00 0.21 C ATOM 898 CG GLU A 435 122.369 -6.946 -15.789 1.00 1.31 C ATOM 899 CD GLU A 435 122.886 -7.956 -14.771 1.00 1.92 C ATOM 900 OE1 GLU A 435 122.106 -8.795 -14.351 1.00 2.18 O ATOM 901 OE2 GLU A 435 124.055 -7.881 -14.430 1.00 2.77 O ATOM 0 H GLU A 435 120.333 -4.961 -15.366 1.00 0.18 H new ATOM 0 HA GLU A 435 121.092 -5.983 -17.852 1.00 0.19 H new ATOM 0 HB2 GLU A 435 120.316 -7.278 -15.210 1.00 0.21 H new ATOM 0 HB3 GLU A 435 120.832 -8.238 -16.583 1.00 0.21 H new ATOM 0 HG2 GLU A 435 122.975 -6.985 -16.694 1.00 1.31 H new ATOM 0 HG3 GLU A 435 122.456 -5.936 -15.390 1.00 1.31 H new ATOM 908 N ARG A 436 117.990 -6.671 -16.936 1.00 0.19 N ATOM 909 CA ARG A 436 116.700 -7.146 -17.420 1.00 0.21 C ATOM 910 C ARG A 436 116.226 -6.352 -18.627 1.00 0.21 C ATOM 911 O ARG A 436 115.772 -6.928 -19.617 1.00 0.22 O ATOM 912 CB ARG A 436 115.646 -7.015 -16.319 1.00 0.23 C ATOM 913 CG ARG A 436 115.587 -8.287 -15.483 1.00 1.03 C ATOM 914 CD ARG A 436 114.479 -8.126 -14.449 1.00 1.06 C ATOM 915 NE ARG A 436 114.308 -9.368 -13.712 1.00 1.60 N ATOM 916 CZ ARG A 436 113.504 -9.434 -12.660 1.00 2.07 C ATOM 917 NH1 ARG A 436 112.838 -8.376 -12.283 1.00 2.33 N ATOM 918 NH2 ARG A 436 113.367 -10.559 -12.016 1.00 2.92 N ATOM 0 H ARG A 436 117.981 -6.320 -15.978 1.00 0.19 H new ATOM 0 HA ARG A 436 116.829 -8.189 -17.708 1.00 0.21 H new ATOM 0 HB2 ARG A 436 115.882 -6.164 -15.681 1.00 0.23 H new ATOM 0 HB3 ARG A 436 114.670 -6.819 -16.763 1.00 0.23 H new ATOM 0 HG2 ARG A 436 115.391 -9.151 -16.118 1.00 1.03 H new ATOM 0 HG3 ARG A 436 116.544 -8.463 -14.991 1.00 1.03 H new ATOM 0 HD2 ARG A 436 114.725 -7.316 -13.762 1.00 1.06 H new ATOM 0 HD3 ARG A 436 113.546 -7.854 -14.942 1.00 1.06 H new ATOM 0 HE ARG A 436 114.815 -10.202 -14.009 1.00 1.60 H new ATOM 0 HH11 ARG A 436 112.937 -7.501 -12.798 1.00 2.33 H new ATOM 0 HH12 ARG A 436 112.219 -8.425 -11.474 1.00 2.33 H new ATOM 0 HH21 ARG A 436 113.878 -11.387 -12.322 1.00 2.92 H new ATOM 0 HH22 ARG A 436 112.749 -10.611 -11.206 1.00 2.92 H new ATOM 932 N ALA A 437 116.287 -5.029 -18.535 1.00 0.20 N ATOM 933 CA ALA A 437 115.810 -4.193 -19.624 1.00 0.20 C ATOM 934 C ALA A 437 116.650 -4.406 -20.871 1.00 0.19 C ATOM 935 O ALA A 437 116.122 -4.484 -21.981 1.00 0.20 O ATOM 936 CB ALA A 437 115.857 -2.730 -19.209 1.00 0.22 C ATOM 0 H ALA A 437 116.656 -4.521 -17.731 1.00 0.20 H new ATOM 0 HA ALA A 437 114.781 -4.471 -19.851 1.00 0.20 H new ATOM 0 HB1 ALA A 437 115.498 -2.108 -20.029 1.00 0.22 H new ATOM 0 HB2 ALA A 437 115.223 -2.579 -18.335 1.00 0.22 H new ATOM 0 HB3 ALA A 437 116.883 -2.454 -18.965 1.00 0.22 H new ATOM 942 N MET A 438 117.958 -4.511 -20.681 1.00 0.20 N ATOM 943 CA MET A 438 118.859 -4.729 -21.799 1.00 0.22 C ATOM 944 C MET A 438 118.430 -5.977 -22.540 1.00 0.23 C ATOM 945 O MET A 438 118.517 -6.064 -23.764 1.00 0.25 O ATOM 946 CB MET A 438 120.279 -4.963 -21.278 1.00 0.25 C ATOM 947 CG MET A 438 120.926 -3.647 -20.853 1.00 0.28 C ATOM 948 SD MET A 438 122.532 -4.015 -20.097 1.00 0.56 S ATOM 949 CE MET A 438 123.193 -2.332 -20.073 1.00 1.08 C ATOM 0 H MET A 438 118.414 -4.449 -19.771 1.00 0.20 H new ATOM 0 HA MET A 438 118.834 -3.857 -22.453 1.00 0.22 H new ATOM 0 HB2 MET A 438 120.252 -5.650 -20.432 1.00 0.25 H new ATOM 0 HB3 MET A 438 120.882 -5.436 -22.053 1.00 0.25 H new ATOM 0 HG2 MET A 438 121.054 -2.992 -21.715 1.00 0.28 H new ATOM 0 HG3 MET A 438 120.285 -3.121 -20.145 1.00 0.28 H new ATOM 0 HE1 MET A 438 124.192 -2.340 -19.637 1.00 1.08 H new ATOM 0 HE2 MET A 438 123.244 -1.947 -21.091 1.00 1.08 H new ATOM 0 HE3 MET A 438 122.542 -1.694 -19.476 1.00 1.08 H new ATOM 959 N ARG A 439 118.041 -6.969 -21.766 1.00 0.23 N ATOM 960 CA ARG A 439 117.681 -8.263 -22.303 1.00 0.26 C ATOM 961 C ARG A 439 116.449 -8.186 -23.189 1.00 0.28 C ATOM 962 O ARG A 439 116.416 -8.751 -24.282 1.00 0.32 O ATOM 963 CB ARG A 439 117.395 -9.188 -21.124 1.00 0.26 C ATOM 964 CG ARG A 439 117.934 -10.574 -21.426 1.00 1.13 C ATOM 965 CD ARG A 439 117.737 -11.481 -20.220 1.00 1.54 C ATOM 966 NE ARG A 439 119.022 -12.128 -19.973 1.00 2.19 N ATOM 967 CZ ARG A 439 119.135 -13.267 -19.333 1.00 2.98 C ATOM 968 NH1 ARG A 439 118.061 -13.918 -18.980 1.00 3.36 N ATOM 969 NH2 ARG A 439 120.318 -13.751 -19.075 1.00 3.83 N ATOM 0 H ARG A 439 117.966 -6.901 -20.751 1.00 0.23 H new ATOM 0 HA ARG A 439 118.501 -8.634 -22.917 1.00 0.26 H new ATOM 0 HB2 ARG A 439 117.858 -8.795 -20.219 1.00 0.26 H new ATOM 0 HB3 ARG A 439 116.322 -9.236 -20.938 1.00 0.26 H new ATOM 0 HG2 ARG A 439 117.422 -10.992 -22.293 1.00 1.13 H new ATOM 0 HG3 ARG A 439 118.993 -10.515 -21.678 1.00 1.13 H new ATOM 0 HD2 ARG A 439 117.419 -10.906 -19.350 1.00 1.54 H new ATOM 0 HD3 ARG A 439 116.961 -12.221 -20.414 1.00 1.54 H new ATOM 0 HE ARG A 439 119.870 -11.674 -20.313 1.00 2.19 H new ATOM 0 HH11 ARG A 439 117.140 -13.541 -19.202 1.00 3.36 H new ATOM 0 HH12 ARG A 439 118.143 -14.804 -18.482 1.00 3.36 H new ATOM 0 HH21 ARG A 439 121.152 -13.244 -19.371 1.00 3.83 H new ATOM 0 HH22 ARG A 439 120.409 -14.637 -18.577 1.00 3.83 H new ATOM 983 N GLN A 440 115.436 -7.493 -22.704 1.00 0.27 N ATOM 984 CA GLN A 440 114.204 -7.366 -23.450 1.00 0.31 C ATOM 985 C GLN A 440 114.513 -6.675 -24.759 1.00 0.31 C ATOM 986 O GLN A 440 114.082 -7.112 -25.827 1.00 0.36 O ATOM 987 CB GLN A 440 113.219 -6.552 -22.625 1.00 0.31 C ATOM 988 CG GLN A 440 111.821 -6.611 -23.228 1.00 0.42 C ATOM 989 CD GLN A 440 110.876 -5.904 -22.271 1.00 0.46 C ATOM 990 OE1 GLN A 440 111.273 -4.935 -21.638 1.00 1.31 O ATOM 991 NE2 GLN A 440 109.667 -6.347 -22.091 1.00 0.99 N ATOM 0 H GLN A 440 115.443 -7.014 -21.804 1.00 0.27 H new ATOM 0 HA GLN A 440 113.763 -8.341 -23.658 1.00 0.31 H new ATOM 0 HB2 GLN A 440 113.194 -6.931 -21.603 1.00 0.31 H new ATOM 0 HB3 GLN A 440 113.553 -5.516 -22.572 1.00 0.31 H new ATOM 0 HG2 GLN A 440 111.806 -6.130 -24.206 1.00 0.42 H new ATOM 0 HG3 GLN A 440 111.512 -7.646 -23.377 1.00 0.42 H new ATOM 0 HE21 GLN A 440 109.336 -7.155 -22.619 1.00 0.99 H new ATOM 0 HE22 GLN A 440 109.050 -5.887 -21.422 1.00 0.99 H new ATOM 1000 N VAL A 441 115.331 -5.636 -24.675 1.00 0.27 N ATOM 1001 CA VAL A 441 115.787 -4.925 -25.850 1.00 0.28 C ATOM 1002 C VAL A 441 117.253 -4.548 -25.667 1.00 0.25 C ATOM 1003 O VAL A 441 117.566 -3.443 -25.225 1.00 0.22 O ATOM 1004 CB VAL A 441 114.961 -3.650 -26.050 1.00 0.28 C ATOM 1005 CG1 VAL A 441 113.631 -4.001 -26.729 1.00 0.33 C ATOM 1006 CG2 VAL A 441 114.697 -2.969 -24.686 1.00 0.25 C ATOM 0 H VAL A 441 115.692 -5.268 -23.795 1.00 0.27 H new ATOM 0 HA VAL A 441 115.670 -5.566 -26.724 1.00 0.28 H new ATOM 0 HB VAL A 441 115.516 -2.959 -26.684 1.00 0.28 H new ATOM 0 HG11 VAL A 441 113.044 -3.093 -26.871 1.00 0.33 H new ATOM 0 HG12 VAL A 441 113.827 -4.461 -27.697 1.00 0.33 H new ATOM 0 HG13 VAL A 441 113.075 -4.698 -26.102 1.00 0.33 H new ATOM 0 HG21 VAL A 441 114.109 -2.064 -24.839 1.00 0.25 H new ATOM 0 HG22 VAL A 441 114.148 -3.653 -24.038 1.00 0.25 H new ATOM 0 HG23 VAL A 441 115.647 -2.710 -24.219 1.00 0.25 H new ATOM 1016 N PRO A 442 118.155 -5.427 -26.014 1.00 0.27 N ATOM 1017 CA PRO A 442 119.604 -5.155 -25.900 1.00 0.26 C ATOM 1018 C PRO A 442 120.047 -4.279 -27.050 1.00 0.29 C ATOM 1019 O PRO A 442 121.183 -3.807 -27.098 1.00 0.31 O ATOM 1020 CB PRO A 442 120.254 -6.538 -25.944 1.00 0.30 C ATOM 1021 CG PRO A 442 119.277 -7.430 -26.649 1.00 0.33 C ATOM 1022 CD PRO A 442 117.893 -6.772 -26.555 1.00 0.31 C ATOM 0 HA PRO A 442 119.879 -4.621 -24.991 1.00 0.26 H new ATOM 0 HB2 PRO A 442 121.206 -6.505 -26.474 1.00 0.30 H new ATOM 0 HB3 PRO A 442 120.462 -6.904 -24.938 1.00 0.30 H new ATOM 0 HG2 PRO A 442 119.566 -7.566 -27.691 1.00 0.33 H new ATOM 0 HG3 PRO A 442 119.262 -8.419 -26.191 1.00 0.33 H new ATOM 0 HD2 PRO A 442 117.412 -6.719 -27.532 1.00 0.31 H new ATOM 0 HD3 PRO A 442 117.228 -7.339 -25.903 1.00 0.31 H new ATOM 1030 N GLN A 443 119.113 -4.048 -27.969 1.00 0.29 N ATOM 1031 CA GLN A 443 119.348 -3.203 -29.122 1.00 0.32 C ATOM 1032 C GLN A 443 118.982 -1.760 -28.790 1.00 0.27 C ATOM 1033 O GLN A 443 119.262 -0.841 -29.559 1.00 0.28 O ATOM 1034 CB GLN A 443 118.481 -3.696 -30.279 1.00 0.36 C ATOM 1035 CG GLN A 443 118.776 -5.175 -30.533 1.00 0.42 C ATOM 1036 CD GLN A 443 118.134 -5.621 -31.841 1.00 1.15 C ATOM 1037 OE1 GLN A 443 117.488 -4.824 -32.520 1.00 1.85 O ATOM 1038 NE2 GLN A 443 118.283 -6.854 -32.241 1.00 1.83 N ATOM 0 H GLN A 443 118.174 -4.444 -27.930 1.00 0.29 H new ATOM 0 HA GLN A 443 120.401 -3.246 -29.400 1.00 0.32 H new ATOM 0 HB2 GLN A 443 117.426 -3.559 -30.043 1.00 0.36 H new ATOM 0 HB3 GLN A 443 118.685 -3.113 -31.177 1.00 0.36 H new ATOM 0 HG2 GLN A 443 119.853 -5.337 -30.574 1.00 0.42 H new ATOM 0 HG3 GLN A 443 118.394 -5.777 -29.708 1.00 0.42 H new ATOM 0 HE21 GLN A 443 118.819 -7.512 -31.676 1.00 1.83 H new ATOM 0 HE22 GLN A 443 117.863 -7.160 -33.119 1.00 1.83 H new ATOM 1047 N ALA A 444 118.352 -1.576 -27.633 1.00 0.24 N ATOM 1048 CA ALA A 444 117.946 -0.247 -27.195 1.00 0.20 C ATOM 1049 C ALA A 444 119.062 0.419 -26.412 1.00 0.19 C ATOM 1050 O ALA A 444 120.023 -0.233 -26.004 1.00 0.20 O ATOM 1051 CB ALA A 444 116.698 -0.335 -26.316 1.00 0.19 C ATOM 0 H ALA A 444 118.113 -2.327 -26.986 1.00 0.24 H new ATOM 0 HA ALA A 444 117.724 0.348 -28.081 1.00 0.20 H new ATOM 0 HB1 ALA A 444 116.407 0.666 -25.996 1.00 0.19 H new ATOM 0 HB2 ALA A 444 115.884 -0.786 -26.884 1.00 0.19 H new ATOM 0 HB3 ALA A 444 116.912 -0.948 -25.440 1.00 0.19 H new ATOM 1057 N GLN A 445 118.899 1.707 -26.143 1.00 0.17 N ATOM 1058 CA GLN A 445 119.873 2.423 -25.338 1.00 0.17 C ATOM 1059 C GLN A 445 119.442 2.414 -23.884 1.00 0.16 C ATOM 1060 O GLN A 445 118.308 2.766 -23.556 1.00 0.15 O ATOM 1061 CB GLN A 445 120.051 3.853 -25.845 1.00 0.18 C ATOM 1062 CG GLN A 445 120.864 3.808 -27.139 1.00 0.96 C ATOM 1063 CD GLN A 445 121.180 5.216 -27.627 1.00 1.48 C ATOM 1064 OE1 GLN A 445 120.786 6.196 -27.001 1.00 2.03 O ATOM 1065 NE2 GLN A 445 121.898 5.372 -28.703 1.00 2.26 N ATOM 0 H GLN A 445 118.112 2.270 -26.466 1.00 0.17 H new ATOM 0 HA GLN A 445 120.837 1.920 -25.421 1.00 0.17 H new ATOM 0 HB2 GLN A 445 119.080 4.316 -26.023 1.00 0.18 H new ATOM 0 HB3 GLN A 445 120.561 4.460 -25.097 1.00 0.18 H new ATOM 0 HG2 GLN A 445 121.791 3.259 -26.973 1.00 0.96 H new ATOM 0 HG3 GLN A 445 120.307 3.269 -27.905 1.00 0.96 H new ATOM 0 HE21 GLN A 445 122.224 4.556 -29.221 1.00 2.26 H new ATOM 0 HE22 GLN A 445 122.134 6.310 -29.027 1.00 2.26 H new ATOM 1074 N HIS A 446 120.341 1.952 -23.021 1.00 0.15 N ATOM 1075 CA HIS A 446 120.033 1.827 -21.606 1.00 0.15 C ATOM 1076 C HIS A 446 120.951 2.698 -20.774 1.00 0.16 C ATOM 1077 O HIS A 446 122.164 2.731 -20.982 1.00 0.18 O ATOM 1078 CB HIS A 446 120.198 0.371 -21.172 1.00 0.15 C ATOM 1079 CG HIS A 446 119.233 -0.485 -21.938 1.00 0.16 C ATOM 1080 ND1 HIS A 446 117.892 -0.571 -21.601 1.00 0.20 N ATOM 1081 CD2 HIS A 446 119.394 -1.285 -23.041 1.00 0.20 C ATOM 1082 CE1 HIS A 446 117.304 -1.395 -22.487 1.00 0.21 C ATOM 1083 NE2 HIS A 446 118.174 -1.858 -23.387 1.00 0.20 N ATOM 0 H HIS A 446 121.284 1.660 -23.278 1.00 0.15 H new ATOM 0 HA HIS A 446 119.004 2.151 -21.450 1.00 0.15 H new ATOM 0 HB2 HIS A 446 121.220 0.039 -21.353 1.00 0.15 H new ATOM 0 HB3 HIS A 446 120.017 0.275 -20.101 1.00 0.15 H new ATOM 0 HD2 HIS A 446 120.326 -1.446 -23.562 1.00 0.20 H new ATOM 0 HE1 HIS A 446 116.255 -1.651 -22.472 1.00 0.21 H new ATOM 0 HE2 HIS A 446 117.985 -2.495 -24.161 1.00 0.20 H new ATOM 1091 N ILE A 447 120.361 3.357 -19.793 1.00 0.15 N ATOM 1092 CA ILE A 447 121.112 4.187 -18.873 1.00 0.17 C ATOM 1093 C ILE A 447 120.848 3.690 -17.461 1.00 0.16 C ATOM 1094 O ILE A 447 119.694 3.473 -17.073 1.00 0.17 O ATOM 1095 CB ILE A 447 120.677 5.644 -19.010 1.00 0.19 C ATOM 1096 CG1 ILE A 447 120.929 6.137 -20.444 1.00 0.20 C ATOM 1097 CG2 ILE A 447 121.452 6.514 -18.028 1.00 0.22 C ATOM 1098 CD1 ILE A 447 122.410 5.974 -20.815 1.00 0.25 C ATOM 0 H ILE A 447 119.357 3.332 -19.614 1.00 0.15 H new ATOM 0 HA ILE A 447 122.177 4.128 -19.096 1.00 0.17 H new ATOM 0 HB ILE A 447 119.612 5.714 -18.789 1.00 0.19 H new ATOM 0 HG12 ILE A 447 120.309 5.575 -21.142 1.00 0.20 H new ATOM 0 HG13 ILE A 447 120.639 7.184 -20.531 1.00 0.20 H new ATOM 0 HG21 ILE A 447 121.135 7.552 -18.133 1.00 0.22 H new ATOM 0 HG22 ILE A 447 121.257 6.176 -17.010 1.00 0.22 H new ATOM 0 HG23 ILE A 447 122.519 6.437 -18.238 1.00 0.22 H new ATOM 0 HD11 ILE A 447 122.571 6.328 -21.833 1.00 0.25 H new ATOM 0 HD12 ILE A 447 123.024 6.556 -20.127 1.00 0.25 H new ATOM 0 HD13 ILE A 447 122.688 4.922 -20.748 1.00 0.25 H new ATOM 1110 N SER A 448 121.917 3.446 -16.719 1.00 0.17 N ATOM 1111 CA SER A 448 121.784 2.897 -15.378 1.00 0.17 C ATOM 1112 C SER A 448 121.951 3.967 -14.313 1.00 0.18 C ATOM 1113 O SER A 448 122.829 4.825 -14.400 1.00 0.19 O ATOM 1114 CB SER A 448 122.833 1.808 -15.170 1.00 0.17 C ATOM 1115 OG SER A 448 124.040 2.400 -14.710 1.00 1.26 O ATOM 0 H SER A 448 122.877 3.617 -17.018 1.00 0.17 H new ATOM 0 HA SER A 448 120.781 2.481 -15.283 1.00 0.17 H new ATOM 0 HB2 SER A 448 122.475 1.076 -14.446 1.00 0.17 H new ATOM 0 HB3 SER A 448 123.009 1.274 -16.104 1.00 0.17 H new ATOM 0 HG SER A 448 124.715 1.703 -14.574 1.00 1.26 H new ATOM 1121 N LEU A 449 121.118 3.873 -13.285 1.00 0.19 N ATOM 1122 CA LEU A 449 121.181 4.793 -12.160 1.00 0.22 C ATOM 1123 C LEU A 449 121.809 4.085 -10.968 1.00 0.26 C ATOM 1124 O LEU A 449 121.912 2.858 -10.956 1.00 0.44 O ATOM 1125 CB LEU A 449 119.777 5.268 -11.793 1.00 0.21 C ATOM 1126 CG LEU A 449 119.129 5.953 -13.000 1.00 0.28 C ATOM 1127 CD1 LEU A 449 117.687 6.313 -12.646 1.00 0.35 C ATOM 1128 CD2 LEU A 449 119.910 7.231 -13.368 1.00 0.34 C ATOM 0 H LEU A 449 120.388 3.165 -13.208 1.00 0.19 H new ATOM 0 HA LEU A 449 121.786 5.657 -12.435 1.00 0.22 H new ATOM 0 HB2 LEU A 449 119.169 4.422 -11.474 1.00 0.21 H new ATOM 0 HB3 LEU A 449 119.826 5.961 -10.953 1.00 0.21 H new ATOM 0 HG LEU A 449 119.145 5.277 -13.855 1.00 0.28 H new ATOM 0 HD11 LEU A 449 117.214 6.802 -13.498 1.00 0.35 H new ATOM 0 HD12 LEU A 449 117.136 5.406 -12.397 1.00 0.35 H new ATOM 0 HD13 LEU A 449 117.680 6.988 -11.791 1.00 0.35 H new ATOM 0 HD21 LEU A 449 119.440 7.710 -14.227 1.00 0.34 H new ATOM 0 HD22 LEU A 449 119.903 7.918 -12.522 1.00 0.34 H new ATOM 0 HD23 LEU A 449 120.939 6.970 -13.615 1.00 0.34 H new ATOM 1140 N THR A 450 122.187 4.841 -9.944 1.00 0.28 N ATOM 1141 CA THR A 450 122.771 4.249 -8.745 1.00 0.32 C ATOM 1142 C THR A 450 121.881 4.521 -7.537 1.00 0.25 C ATOM 1143 O THR A 450 121.684 3.650 -6.689 1.00 0.35 O ATOM 1144 CB THR A 450 124.162 4.845 -8.503 1.00 0.46 C ATOM 1145 OG1 THR A 450 124.084 6.260 -8.615 1.00 0.86 O ATOM 1146 CG2 THR A 450 125.166 4.309 -9.538 1.00 0.94 C ATOM 0 H THR A 450 122.101 5.857 -9.918 1.00 0.28 H new ATOM 0 HA THR A 450 122.855 3.172 -8.887 1.00 0.32 H new ATOM 0 HB THR A 450 124.501 4.562 -7.507 1.00 0.46 H new ATOM 0 HG1 THR A 450 124.134 6.662 -7.723 1.00 0.86 H new ATOM 0 HG21 THR A 450 126.148 4.743 -9.351 1.00 0.94 H new ATOM 0 HG22 THR A 450 125.227 3.224 -9.457 1.00 0.94 H new ATOM 0 HG23 THR A 450 124.835 4.580 -10.540 1.00 0.94 H new ATOM 1154 N ASN A 451 121.334 5.733 -7.473 1.00 0.25 N ATOM 1155 CA ASN A 451 120.452 6.112 -6.371 1.00 0.24 C ATOM 1156 C ASN A 451 119.213 6.836 -6.896 1.00 0.26 C ATOM 1157 O ASN A 451 119.228 7.430 -7.974 1.00 0.25 O ATOM 1158 CB ASN A 451 121.206 6.999 -5.361 1.00 0.27 C ATOM 1159 CG ASN A 451 121.624 6.195 -4.125 1.00 1.02 C ATOM 1160 OD1 ASN A 451 121.133 5.090 -3.895 1.00 1.76 O ATOM 1161 ND2 ASN A 451 122.505 6.697 -3.305 1.00 1.67 N ATOM 0 H ASN A 451 121.484 6.466 -8.167 1.00 0.25 H new ATOM 0 HA ASN A 451 120.128 5.204 -5.863 1.00 0.24 H new ATOM 0 HB2 ASN A 451 122.089 7.427 -5.836 1.00 0.27 H new ATOM 0 HB3 ASN A 451 120.571 7.832 -5.059 1.00 0.27 H new ATOM 0 HD21 ASN A 451 122.786 6.174 -2.475 1.00 1.67 H new ATOM 0 HD22 ASN A 451 122.913 7.612 -3.493 1.00 1.67 H new ATOM 1168 N PHE A 452 118.135 6.737 -6.130 1.00 0.31 N ATOM 1169 CA PHE A 452 116.857 7.324 -6.511 1.00 0.35 C ATOM 1170 C PHE A 452 116.930 8.842 -6.623 1.00 0.32 C ATOM 1171 O PHE A 452 116.304 9.427 -7.507 1.00 0.32 O ATOM 1172 CB PHE A 452 115.797 6.938 -5.479 1.00 0.44 C ATOM 1173 CG PHE A 452 115.720 5.431 -5.374 1.00 0.48 C ATOM 1174 CD1 PHE A 452 115.426 4.661 -6.504 1.00 0.53 C ATOM 1175 CD2 PHE A 452 115.953 4.802 -4.144 1.00 0.52 C ATOM 1176 CE1 PHE A 452 115.359 3.267 -6.408 1.00 0.60 C ATOM 1177 CE2 PHE A 452 115.885 3.406 -4.046 1.00 0.58 C ATOM 1178 CZ PHE A 452 115.587 2.639 -5.179 1.00 0.61 C ATOM 0 H PHE A 452 118.121 6.251 -5.233 1.00 0.31 H new ATOM 0 HA PHE A 452 116.593 6.936 -7.495 1.00 0.35 H new ATOM 0 HB2 PHE A 452 116.045 7.369 -4.509 1.00 0.44 H new ATOM 0 HB3 PHE A 452 114.827 7.343 -5.769 1.00 0.44 H new ATOM 0 HD1 PHE A 452 115.250 5.144 -7.454 1.00 0.53 H new ATOM 0 HD2 PHE A 452 116.185 5.394 -3.271 1.00 0.52 H new ATOM 0 HE1 PHE A 452 115.131 2.676 -7.283 1.00 0.60 H new ATOM 0 HE2 PHE A 452 116.062 2.922 -3.097 1.00 0.58 H new ATOM 0 HZ PHE A 452 115.533 1.563 -5.104 1.00 0.61 H new ATOM 1188 N LEU A 453 117.669 9.488 -5.725 1.00 0.32 N ATOM 1189 CA LEU A 453 117.766 10.948 -5.762 1.00 0.32 C ATOM 1190 C LEU A 453 119.144 11.399 -6.245 1.00 0.29 C ATOM 1191 O LEU A 453 119.546 12.538 -6.008 1.00 0.30 O ATOM 1192 CB LEU A 453 117.476 11.535 -4.371 1.00 0.39 C ATOM 1193 CG LEU A 453 116.072 11.122 -3.882 1.00 0.45 C ATOM 1194 CD1 LEU A 453 115.947 11.451 -2.390 1.00 0.53 C ATOM 1195 CD2 LEU A 453 114.966 11.884 -4.641 1.00 0.50 C ATOM 0 H LEU A 453 118.199 9.038 -4.978 1.00 0.32 H new ATOM 0 HA LEU A 453 117.022 11.317 -6.468 1.00 0.32 H new ATOM 0 HB2 LEU A 453 118.229 11.190 -3.662 1.00 0.39 H new ATOM 0 HB3 LEU A 453 117.548 12.622 -4.408 1.00 0.39 H new ATOM 0 HG LEU A 453 115.950 10.054 -4.062 1.00 0.45 H new ATOM 0 HD11 LEU A 453 114.957 11.162 -2.035 1.00 0.53 H new ATOM 0 HD12 LEU A 453 116.706 10.903 -1.832 1.00 0.53 H new ATOM 0 HD13 LEU A 453 116.088 12.521 -2.240 1.00 0.53 H new ATOM 0 HD21 LEU A 453 113.989 11.570 -4.273 1.00 0.50 H new ATOM 0 HD22 LEU A 453 115.087 12.955 -4.481 1.00 0.50 H new ATOM 0 HD23 LEU A 453 115.039 11.666 -5.706 1.00 0.50 H new ATOM 1207 N ASP A 454 119.855 10.515 -6.942 1.00 0.25 N ATOM 1208 CA ASP A 454 121.173 10.869 -7.468 1.00 0.23 C ATOM 1209 C ASP A 454 121.055 12.021 -8.461 1.00 0.23 C ATOM 1210 O ASP A 454 121.070 11.812 -9.673 1.00 0.21 O ATOM 1211 CB ASP A 454 121.797 9.664 -8.170 1.00 0.22 C ATOM 1212 CG ASP A 454 123.288 9.903 -8.382 1.00 1.26 C ATOM 1213 OD1 ASP A 454 123.634 10.974 -8.854 1.00 1.98 O ATOM 1214 OD2 ASP A 454 124.061 9.014 -8.068 1.00 1.61 O ATOM 0 H ASP A 454 119.549 9.565 -7.153 1.00 0.25 H new ATOM 0 HA ASP A 454 121.806 11.175 -6.635 1.00 0.23 H new ATOM 0 HB2 ASP A 454 121.645 8.765 -7.573 1.00 0.22 H new ATOM 0 HB3 ASP A 454 121.307 9.496 -9.129 1.00 0.22 H new ATOM 1219 N SER A 455 120.931 13.235 -7.934 1.00 0.26 N ATOM 1220 CA SER A 455 120.776 14.420 -8.772 1.00 0.27 C ATOM 1221 C SER A 455 121.957 14.607 -9.717 1.00 0.25 C ATOM 1222 O SER A 455 121.782 15.073 -10.843 1.00 0.24 O ATOM 1223 CB SER A 455 120.629 15.660 -7.889 1.00 0.33 C ATOM 1224 OG SER A 455 121.758 15.764 -7.033 1.00 1.34 O ATOM 0 H SER A 455 120.935 13.424 -6.932 1.00 0.26 H new ATOM 0 HA SER A 455 119.881 14.281 -9.378 1.00 0.27 H new ATOM 0 HB2 SER A 455 120.544 16.553 -8.508 1.00 0.33 H new ATOM 0 HB3 SER A 455 119.715 15.594 -7.298 1.00 0.33 H new ATOM 0 HG SER A 455 121.667 16.559 -6.467 1.00 1.34 H new ATOM 1230 N GLY A 456 123.156 14.262 -9.265 1.00 0.27 N ATOM 1231 CA GLY A 456 124.341 14.419 -10.097 1.00 0.29 C ATOM 1232 C GLY A 456 124.225 13.596 -11.377 1.00 0.27 C ATOM 1233 O GLY A 456 124.450 14.110 -12.473 1.00 0.27 O ATOM 0 H GLY A 456 123.333 13.876 -8.338 1.00 0.27 H new ATOM 0 HA2 GLY A 456 124.476 15.471 -10.348 1.00 0.29 H new ATOM 0 HA3 GLY A 456 125.225 14.108 -9.540 1.00 0.29 H new ATOM 1237 N LEU A 457 123.849 12.325 -11.239 1.00 0.25 N ATOM 1238 CA LEU A 457 123.687 11.474 -12.414 1.00 0.26 C ATOM 1239 C LEU A 457 122.578 12.008 -13.314 1.00 0.24 C ATOM 1240 O LEU A 457 122.741 12.088 -14.527 1.00 0.26 O ATOM 1241 CB LEU A 457 123.345 10.033 -12.018 1.00 0.26 C ATOM 1242 CG LEU A 457 124.566 9.330 -11.412 1.00 0.30 C ATOM 1243 CD1 LEU A 457 124.141 7.940 -10.922 1.00 0.30 C ATOM 1244 CD2 LEU A 457 125.681 9.187 -12.469 1.00 0.39 C ATOM 0 H LEU A 457 123.655 11.871 -10.346 1.00 0.25 H new ATOM 0 HA LEU A 457 124.637 11.482 -12.949 1.00 0.26 H new ATOM 0 HB2 LEU A 457 122.526 10.033 -11.299 1.00 0.26 H new ATOM 0 HB3 LEU A 457 123.000 9.483 -12.893 1.00 0.26 H new ATOM 0 HG LEU A 457 124.949 9.921 -10.580 1.00 0.30 H new ATOM 0 HD11 LEU A 457 125.000 7.429 -10.488 1.00 0.30 H new ATOM 0 HD12 LEU A 457 123.361 8.043 -10.167 1.00 0.30 H new ATOM 0 HD13 LEU A 457 123.759 7.359 -11.762 1.00 0.30 H new ATOM 0 HD21 LEU A 457 126.541 8.686 -12.025 1.00 0.39 H new ATOM 0 HD22 LEU A 457 125.313 8.598 -13.309 1.00 0.39 H new ATOM 0 HD23 LEU A 457 125.978 10.175 -12.821 1.00 0.39 H new ATOM 1256 N TYR A 458 121.451 12.375 -12.713 1.00 0.21 N ATOM 1257 CA TYR A 458 120.328 12.889 -13.491 1.00 0.21 C ATOM 1258 C TYR A 458 120.735 14.129 -14.272 1.00 0.20 C ATOM 1259 O TYR A 458 120.408 14.262 -15.452 1.00 0.22 O ATOM 1260 CB TYR A 458 119.142 13.229 -12.578 1.00 0.22 C ATOM 1261 CG TYR A 458 118.341 11.984 -12.264 1.00 0.25 C ATOM 1262 CD1 TYR A 458 117.583 11.380 -13.270 1.00 0.57 C ATOM 1263 CD2 TYR A 458 118.342 11.443 -10.974 1.00 0.67 C ATOM 1264 CE1 TYR A 458 116.824 10.240 -12.991 1.00 0.58 C ATOM 1265 CE2 TYR A 458 117.580 10.303 -10.691 1.00 0.70 C ATOM 1266 CZ TYR A 458 116.821 9.700 -11.701 1.00 0.33 C ATOM 1267 OH TYR A 458 116.063 8.581 -11.422 1.00 0.38 O ATOM 0 H TYR A 458 121.291 12.328 -11.707 1.00 0.21 H new ATOM 0 HA TYR A 458 120.027 12.109 -14.191 1.00 0.21 H new ATOM 0 HB2 TYR A 458 119.504 13.678 -11.653 1.00 0.22 H new ATOM 0 HB3 TYR A 458 118.503 13.967 -13.062 1.00 0.22 H new ATOM 0 HD1 TYR A 458 117.583 11.795 -14.267 1.00 0.57 H new ATOM 0 HD2 TYR A 458 118.931 11.905 -10.196 1.00 0.67 H new ATOM 0 HE1 TYR A 458 116.240 9.776 -13.772 1.00 0.58 H new ATOM 0 HE2 TYR A 458 117.578 9.889 -9.694 1.00 0.70 H new ATOM 0 HH TYR A 458 116.175 8.336 -10.480 1.00 0.38 H new ATOM 1277 N THR A 459 121.438 15.036 -13.612 1.00 0.20 N ATOM 1278 CA THR A 459 121.863 16.262 -14.266 1.00 0.20 C ATOM 1279 C THR A 459 122.782 15.956 -15.442 1.00 0.22 C ATOM 1280 O THR A 459 122.608 16.504 -16.528 1.00 0.21 O ATOM 1281 CB THR A 459 122.592 17.163 -13.267 1.00 0.24 C ATOM 1282 OG1 THR A 459 121.710 17.500 -12.205 1.00 0.29 O ATOM 1283 CG2 THR A 459 123.055 18.439 -13.973 1.00 0.30 C ATOM 0 H THR A 459 121.723 14.948 -12.637 1.00 0.20 H new ATOM 0 HA THR A 459 120.977 16.775 -14.639 1.00 0.20 H new ATOM 0 HB THR A 459 123.459 16.637 -12.867 1.00 0.24 H new ATOM 0 HG1 THR A 459 121.625 16.737 -11.596 1.00 0.29 H new ATOM 0 HG21 THR A 459 123.574 19.081 -13.261 1.00 0.30 H new ATOM 0 HG22 THR A 459 123.731 18.179 -14.788 1.00 0.30 H new ATOM 0 HG23 THR A 459 122.190 18.967 -14.374 1.00 0.30 H new ATOM 1291 N SER A 460 123.757 15.075 -15.226 1.00 0.26 N ATOM 1292 CA SER A 460 124.700 14.712 -16.280 1.00 0.31 C ATOM 1293 C SER A 460 123.985 14.095 -17.474 1.00 0.32 C ATOM 1294 O SER A 460 124.288 14.413 -18.625 1.00 0.33 O ATOM 1295 CB SER A 460 125.712 13.701 -15.740 1.00 0.38 C ATOM 1296 OG SER A 460 126.373 14.250 -14.609 1.00 1.33 O ATOM 0 H SER A 460 123.914 14.602 -14.336 1.00 0.26 H new ATOM 0 HA SER A 460 125.205 15.622 -16.604 1.00 0.31 H new ATOM 0 HB2 SER A 460 125.206 12.776 -15.465 1.00 0.38 H new ATOM 0 HB3 SER A 460 126.439 13.450 -16.513 1.00 0.38 H new ATOM 0 HG SER A 460 125.780 14.206 -13.830 1.00 1.33 H new ATOM 1302 N LEU A 461 123.061 13.184 -17.197 1.00 0.33 N ATOM 1303 CA LEU A 461 122.343 12.496 -18.257 1.00 0.38 C ATOM 1304 C LEU A 461 121.540 13.485 -19.087 1.00 0.33 C ATOM 1305 O LEU A 461 121.499 13.396 -20.314 1.00 0.33 O ATOM 1306 CB LEU A 461 121.422 11.449 -17.637 1.00 0.45 C ATOM 1307 CG LEU A 461 122.281 10.362 -16.976 1.00 0.56 C ATOM 1308 CD1 LEU A 461 121.404 9.462 -16.085 1.00 0.58 C ATOM 1309 CD2 LEU A 461 122.985 9.524 -18.053 1.00 0.77 C ATOM 0 H LEU A 461 122.794 12.907 -16.252 1.00 0.33 H new ATOM 0 HA LEU A 461 123.058 12.005 -18.918 1.00 0.38 H new ATOM 0 HB2 LEU A 461 120.767 11.912 -16.899 1.00 0.45 H new ATOM 0 HB3 LEU A 461 120.781 11.010 -18.402 1.00 0.45 H new ATOM 0 HG LEU A 461 123.037 10.838 -16.352 1.00 0.56 H new ATOM 0 HD11 LEU A 461 122.024 8.695 -15.621 1.00 0.58 H new ATOM 0 HD12 LEU A 461 120.933 10.066 -15.309 1.00 0.58 H new ATOM 0 HD13 LEU A 461 120.634 8.988 -16.693 1.00 0.58 H new ATOM 0 HD21 LEU A 461 123.593 8.755 -17.576 1.00 0.77 H new ATOM 0 HD22 LEU A 461 122.239 9.052 -18.692 1.00 0.77 H new ATOM 0 HD23 LEU A 461 123.624 10.169 -18.656 1.00 0.77 H new ATOM 1321 N THR A 462 120.900 14.425 -18.408 1.00 0.29 N ATOM 1322 CA THR A 462 120.100 15.423 -19.094 1.00 0.28 C ATOM 1323 C THR A 462 120.947 16.261 -20.037 1.00 0.21 C ATOM 1324 O THR A 462 120.573 16.483 -21.188 1.00 0.22 O ATOM 1325 CB THR A 462 119.441 16.355 -18.087 1.00 0.29 C ATOM 1326 OG1 THR A 462 118.722 15.587 -17.131 1.00 0.40 O ATOM 1327 CG2 THR A 462 118.486 17.303 -18.820 1.00 0.39 C ATOM 0 H THR A 462 120.919 14.516 -17.392 1.00 0.29 H new ATOM 0 HA THR A 462 119.343 14.890 -19.669 1.00 0.28 H new ATOM 0 HB THR A 462 120.204 16.940 -17.574 1.00 0.29 H new ATOM 0 HG1 THR A 462 119.350 15.185 -16.495 1.00 0.40 H new ATOM 0 HG21 THR A 462 118.013 17.971 -18.100 1.00 0.39 H new ATOM 0 HG22 THR A 462 119.045 17.891 -19.548 1.00 0.39 H new ATOM 0 HG23 THR A 462 117.720 16.722 -19.334 1.00 0.39 H new ATOM 1335 N GLU A 463 122.082 16.739 -19.542 1.00 0.17 N ATOM 1336 CA GLU A 463 122.950 17.569 -20.362 1.00 0.15 C ATOM 1337 C GLU A 463 123.354 16.807 -21.609 1.00 0.14 C ATOM 1338 O GLU A 463 123.451 17.371 -22.699 1.00 0.15 O ATOM 1339 CB GLU A 463 124.213 17.962 -19.587 1.00 0.19 C ATOM 1340 CG GLU A 463 123.842 18.840 -18.387 1.00 0.21 C ATOM 1341 CD GLU A 463 124.980 19.805 -18.060 1.00 1.28 C ATOM 1342 OE1 GLU A 463 126.008 19.729 -18.712 1.00 2.00 O ATOM 1343 OE2 GLU A 463 124.802 20.613 -17.163 1.00 1.57 O ATOM 0 H GLU A 463 122.417 16.569 -18.594 1.00 0.17 H new ATOM 0 HA GLU A 463 122.404 18.472 -20.635 1.00 0.15 H new ATOM 0 HB2 GLU A 463 124.733 17.067 -19.246 1.00 0.19 H new ATOM 0 HB3 GLU A 463 124.899 18.499 -20.242 1.00 0.19 H new ATOM 0 HG2 GLU A 463 122.933 19.401 -18.606 1.00 0.21 H new ATOM 0 HG3 GLU A 463 123.629 18.213 -17.522 1.00 0.21 H new ATOM 1350 N ARG A 464 123.616 15.524 -21.428 1.00 0.15 N ATOM 1351 CA ARG A 464 124.048 14.653 -22.507 1.00 0.17 C ATOM 1352 C ARG A 464 122.981 14.494 -23.584 1.00 0.17 C ATOM 1353 O ARG A 464 123.272 14.549 -24.779 1.00 0.19 O ATOM 1354 CB ARG A 464 124.344 13.278 -21.896 1.00 0.18 C ATOM 1355 CG ARG A 464 125.805 12.908 -22.087 1.00 1.16 C ATOM 1356 CD ARG A 464 125.996 11.487 -21.604 1.00 1.54 C ATOM 1357 NE ARG A 464 127.392 11.127 -21.833 1.00 2.11 N ATOM 1358 CZ ARG A 464 127.769 9.904 -22.131 1.00 2.69 C ATOM 1359 NH1 ARG A 464 126.866 8.980 -22.340 1.00 2.96 N ATOM 1360 NH2 ARG A 464 129.036 9.622 -22.247 1.00 3.55 N ATOM 0 H ARG A 464 123.535 15.056 -20.526 1.00 0.15 H new ATOM 0 HA ARG A 464 124.926 15.091 -22.982 1.00 0.17 H new ATOM 0 HB2 ARG A 464 124.102 13.287 -20.833 1.00 0.18 H new ATOM 0 HB3 ARG A 464 123.709 12.524 -22.361 1.00 0.18 H new ATOM 0 HG2 ARG A 464 126.086 12.994 -23.137 1.00 1.16 H new ATOM 0 HG3 ARG A 464 126.447 13.590 -21.528 1.00 1.16 H new ATOM 0 HD2 ARG A 464 125.748 11.406 -20.546 1.00 1.54 H new ATOM 0 HD3 ARG A 464 125.333 10.808 -22.140 1.00 1.54 H new ATOM 0 HE ARG A 464 128.103 11.854 -21.759 1.00 2.11 H new ATOM 0 HH11 ARG A 464 125.875 9.211 -22.271 1.00 2.96 H new ATOM 0 HH12 ARG A 464 127.153 8.029 -22.572 1.00 2.96 H new ATOM 0 HH21 ARG A 464 129.736 10.351 -22.106 1.00 3.55 H new ATOM 0 HH22 ARG A 464 129.328 8.672 -22.478 1.00 3.55 H new ATOM 1374 N LEU A 465 121.753 14.260 -23.153 1.00 0.16 N ATOM 1375 CA LEU A 465 120.662 14.051 -24.083 1.00 0.18 C ATOM 1376 C LEU A 465 120.439 15.314 -24.899 1.00 0.18 C ATOM 1377 O LEU A 465 120.251 15.256 -26.112 1.00 0.20 O ATOM 1378 CB LEU A 465 119.406 13.641 -23.313 1.00 0.19 C ATOM 1379 CG LEU A 465 119.637 12.238 -22.724 1.00 0.20 C ATOM 1380 CD1 LEU A 465 118.546 11.911 -21.700 1.00 0.21 C ATOM 1381 CD2 LEU A 465 119.636 11.179 -23.850 1.00 0.29 C ATOM 0 H LEU A 465 121.490 14.211 -22.169 1.00 0.16 H new ATOM 0 HA LEU A 465 120.907 13.246 -24.776 1.00 0.18 H new ATOM 0 HB2 LEU A 465 119.197 14.357 -22.518 1.00 0.19 H new ATOM 0 HB3 LEU A 465 118.539 13.637 -23.974 1.00 0.19 H new ATOM 0 HG LEU A 465 120.607 12.223 -22.227 1.00 0.20 H new ATOM 0 HD11 LEU A 465 118.719 10.916 -21.289 1.00 0.21 H new ATOM 0 HD12 LEU A 465 118.571 12.645 -20.895 1.00 0.21 H new ATOM 0 HD13 LEU A 465 117.571 11.938 -22.186 1.00 0.21 H new ATOM 0 HD21 LEU A 465 119.800 10.191 -23.420 1.00 0.29 H new ATOM 0 HD22 LEU A 465 118.675 11.196 -24.364 1.00 0.29 H new ATOM 0 HD23 LEU A 465 120.432 11.403 -24.560 1.00 0.29 H new ATOM 1393 N VAL A 466 120.537 16.455 -24.237 1.00 0.17 N ATOM 1394 CA VAL A 466 120.409 17.735 -24.917 1.00 0.17 C ATOM 1395 C VAL A 466 121.495 17.848 -25.981 1.00 0.18 C ATOM 1396 O VAL A 466 121.227 18.242 -27.119 1.00 0.19 O ATOM 1397 CB VAL A 466 120.544 18.874 -23.895 1.00 0.18 C ATOM 1398 CG1 VAL A 466 120.563 20.243 -24.591 1.00 0.20 C ATOM 1399 CG2 VAL A 466 119.356 18.822 -22.934 1.00 0.20 C ATOM 0 H VAL A 466 120.704 16.522 -23.233 1.00 0.17 H new ATOM 0 HA VAL A 466 119.432 17.806 -25.395 1.00 0.17 H new ATOM 0 HB VAL A 466 121.483 18.746 -23.356 1.00 0.18 H new ATOM 0 HG11 VAL A 466 120.659 21.030 -23.843 1.00 0.20 H new ATOM 0 HG12 VAL A 466 121.408 20.290 -25.278 1.00 0.20 H new ATOM 0 HG13 VAL A 466 119.635 20.382 -25.146 1.00 0.20 H new ATOM 0 HG21 VAL A 466 119.443 19.627 -22.204 1.00 0.20 H new ATOM 0 HG22 VAL A 466 118.429 18.939 -23.495 1.00 0.20 H new ATOM 0 HG23 VAL A 466 119.348 17.863 -22.417 1.00 0.20 H new ATOM 1409 N ALA A 467 122.723 17.491 -25.606 1.00 0.18 N ATOM 1410 CA ALA A 467 123.841 17.543 -26.536 1.00 0.21 C ATOM 1411 C ALA A 467 123.588 16.619 -27.724 1.00 0.23 C ATOM 1412 O ALA A 467 123.878 16.978 -28.862 1.00 0.25 O ATOM 1413 CB ALA A 467 125.141 17.144 -25.815 1.00 0.23 C ATOM 0 H ALA A 467 122.964 17.165 -24.670 1.00 0.18 H new ATOM 0 HA ALA A 467 123.942 18.562 -26.909 1.00 0.21 H new ATOM 0 HB1 ALA A 467 125.974 17.185 -26.517 1.00 0.23 H new ATOM 0 HB2 ALA A 467 125.326 17.833 -24.991 1.00 0.23 H new ATOM 0 HB3 ALA A 467 125.045 16.131 -25.425 1.00 0.23 H new ATOM 1419 N ALA A 468 123.048 15.430 -27.451 1.00 0.24 N ATOM 1420 CA ALA A 468 122.765 14.454 -28.500 1.00 0.28 C ATOM 1421 C ALA A 468 121.583 14.896 -29.362 1.00 0.29 C ATOM 1422 O ALA A 468 121.457 14.476 -30.508 1.00 0.33 O ATOM 1423 CB ALA A 468 122.478 13.082 -27.868 1.00 0.31 C ATOM 0 H ALA A 468 122.798 15.121 -26.511 1.00 0.24 H new ATOM 0 HA ALA A 468 123.640 14.380 -29.146 1.00 0.28 H new ATOM 0 HB1 ALA A 468 122.267 12.356 -28.654 1.00 0.31 H new ATOM 0 HB2 ALA A 468 123.347 12.756 -27.296 1.00 0.31 H new ATOM 0 HB3 ALA A 468 121.616 13.160 -27.205 1.00 0.31 H new ATOM 1429 N GLN A 469 120.702 15.713 -28.793 1.00 0.27 N ATOM 1430 CA GLN A 469 119.528 16.186 -29.526 1.00 0.29 C ATOM 1431 C GLN A 469 119.941 17.112 -30.660 1.00 0.29 C ATOM 1432 O GLN A 469 119.529 16.933 -31.806 1.00 0.33 O ATOM 1433 CB GLN A 469 118.598 16.945 -28.584 1.00 0.29 C ATOM 1434 CG GLN A 469 117.795 15.952 -27.747 1.00 0.32 C ATOM 1435 CD GLN A 469 116.649 15.382 -28.570 1.00 0.88 C ATOM 1436 OE1 GLN A 469 116.013 16.106 -29.336 1.00 1.63 O ATOM 1437 NE2 GLN A 469 116.346 14.119 -28.456 1.00 1.54 N ATOM 0 H GLN A 469 120.775 16.060 -27.836 1.00 0.27 H new ATOM 0 HA GLN A 469 119.013 15.319 -29.939 1.00 0.29 H new ATOM 0 HB2 GLN A 469 119.178 17.599 -27.933 1.00 0.29 H new ATOM 0 HB3 GLN A 469 117.924 17.582 -29.157 1.00 0.29 H new ATOM 0 HG2 GLN A 469 118.443 15.146 -27.404 1.00 0.32 H new ATOM 0 HG3 GLN A 469 117.404 16.446 -26.858 1.00 0.32 H new ATOM 0 HE21 GLN A 469 116.876 13.523 -27.820 1.00 1.54 H new ATOM 0 HE22 GLN A 469 115.579 13.727 -29.003 1.00 1.54 H new ATOM 1446 N ARG A 470 120.796 18.075 -30.336 1.00 0.26 N ATOM 1447 CA ARG A 470 121.289 18.992 -31.355 1.00 0.26 C ATOM 1448 C ARG A 470 122.103 18.218 -32.341 1.00 0.32 C ATOM 1449 O ARG A 470 121.726 18.040 -33.500 1.00 0.39 O ATOM 1450 CB ARG A 470 122.211 20.021 -30.750 1.00 0.26 C ATOM 1451 CG ARG A 470 121.426 20.984 -29.894 1.00 1.11 C ATOM 1452 CD ARG A 470 122.362 22.100 -29.489 1.00 1.60 C ATOM 1453 NE ARG A 470 121.599 23.071 -28.725 1.00 2.26 N ATOM 1454 CZ ARG A 470 122.021 24.301 -28.557 1.00 2.92 C ATOM 1455 NH1 ARG A 470 123.092 24.705 -29.190 1.00 3.18 N ATOM 1456 NH2 ARG A 470 121.356 25.121 -27.797 1.00 3.82 N ATOM 0 H ARG A 470 121.156 18.239 -29.396 1.00 0.26 H new ATOM 0 HA ARG A 470 120.431 19.480 -31.818 1.00 0.26 H new ATOM 0 HB2 ARG A 470 122.974 19.527 -30.149 1.00 0.26 H new ATOM 0 HB3 ARG A 470 122.730 20.564 -31.540 1.00 0.26 H new ATOM 0 HG2 ARG A 470 120.574 21.380 -30.446 1.00 1.11 H new ATOM 0 HG3 ARG A 470 121.029 20.478 -29.014 1.00 1.11 H new ATOM 0 HD2 ARG A 470 123.186 21.709 -28.893 1.00 1.60 H new ATOM 0 HD3 ARG A 470 122.801 22.568 -30.370 1.00 1.60 H new ATOM 0 HE ARG A 470 120.712 22.789 -28.308 1.00 2.26 H new ATOM 0 HH11 ARG A 470 123.591 24.065 -29.808 1.00 3.18 H new ATOM 0 HH12 ARG A 470 123.428 25.660 -29.066 1.00 3.18 H new ATOM 0 HH21 ARG A 470 120.505 24.807 -27.331 1.00 3.82 H new ATOM 0 HH22 ARG A 470 121.686 26.077 -27.667 1.00 3.82 H new ATOM 1470 N HIS A 471 123.176 17.659 -31.821 1.00 0.35 N ATOM 1471 CA HIS A 471 123.988 16.790 -32.610 1.00 0.43 C ATOM 1472 C HIS A 471 123.095 15.667 -33.031 1.00 0.86 C ATOM 1473 O HIS A 471 122.063 15.424 -32.417 1.00 1.39 O ATOM 1474 CB HIS A 471 125.134 16.194 -31.772 1.00 0.88 C ATOM 1475 CG HIS A 471 126.423 16.960 -31.918 1.00 1.49 C ATOM 1476 ND1 HIS A 471 127.463 16.767 -31.025 1.00 2.48 N ATOM 1477 CD2 HIS A 471 126.890 17.872 -32.842 1.00 2.24 C ATOM 1478 CE1 HIS A 471 128.491 17.534 -31.418 1.00 3.26 C ATOM 1479 NE2 HIS A 471 128.197 18.229 -32.520 1.00 3.14 N ATOM 0 H HIS A 471 123.495 17.796 -30.862 1.00 0.35 H new ATOM 0 HA HIS A 471 124.422 17.334 -33.449 1.00 0.43 H new ATOM 0 HB2 HIS A 471 124.841 16.181 -30.722 1.00 0.88 H new ATOM 0 HB3 HIS A 471 125.296 15.158 -32.071 1.00 0.88 H new ATOM 0 HD2 HIS A 471 126.329 18.250 -33.684 1.00 2.24 H new ATOM 0 HE1 HIS A 471 129.441 17.583 -30.906 1.00 3.26 H new ATOM 0 HE2 HIS A 471 128.801 18.882 -33.019 1.00 3.14 H new TER 1487 HIS A 471 CONECT 147 155 CONECT 155 147 156 165 CONECT 156 155 157 159 166 CONECT 157 156 158 167 168 CONECT 158 157 161 CONECT 159 156 160 169 CONECT 160 159 CONECT 161 158 162 163 164 CONECT 162 161 CONECT 163 161 CONECT 164 161 CONECT 165 155 CONECT 166 156 CONECT 167 157 CONECT 168 157 CONECT 169 159 END