USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1023 hydrogens (0 hets) HEADER VIRAL PROTEIN 04-JAN-08 2JZE TITLE NMR STRUCTURE OF THE DOMAIN 527-651 OF THE SARS-COV TITLE 2 NONSTRUCTURAL PROTEIN NSP3, SINGLE CONFORMER CLOSEST TO TITLE 3 THE MEAN COORDINATES OF AN ENSEMBLE OF TWENTY ENERGY TITLE 4 MINIMIZED CONFORMERS COMPND MOL_ID: 1; COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: NON-STRUCTURAL PROTEIN 3 (DOMAIN 527-651): COMPND 5 RESIDUES 1345-1469; COMPND 6 SYNONYM: PP1AB, ORF1AB POLYPROTEIN [INCLUDES: REPLICASE COMPND 7 POLYPROTEIN 1A, NON-STRUCTURAL PROTEINS 1,2,3,4, 3C-LIKE COMPND 8 PROTEINASE, NON-STRUCTURAL PROTEINS 6,7,8,9,10, RNA- COMPND 9 DIRECTED RNA POLYMERASE, HELICASE, EXORIBONUCLEASE, COMPND 0 URIDYLATE-SPECIFIC ENDORIBONUCLEASE, PUTATIVE 2'-O-METHYL COMPND 1 TRANSFERASE]; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; SOURCE 3 ORGANISM_TAXID: 227859; SOURCE 4 GENE: REP, 1A-1B; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28B KEYWDS SARS-COV, SARS-UNIQUE DOMAIN, NONSTRUCTURAL PROTEIN, NSP3, KEYWDS 2 NSP3C, FUNCTIONAL AND STRUCTURAL PROTEOMICS OF SARS-COV- KEYWDS 3 RELATED PROTEINS, FSPS, PSI-2, PROTEIN STRUCTURE INITIATIVE, KEYWDS 4 JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, ATP-BINDING, KEYWDS 5 CYTOPLASM, ENDONUCLEASE, EXONUCLEASE, HELICASE, HYDROLASE, KEYWDS 6 MEMBRANE, METAL-BINDING, NUCLEASE, NUCLEOTIDE-BINDING, KEYWDS 7 NUCLEOTIDYLTRANSFERASE, PROTEASE, RIBOSOMAL FRAMESHIFT, RNA KEYWDS 8 REPLICATION, RNA-BINDING, RNA-DIRECTED RNA POLYMERASE, KEYWDS 9 THIOL PROTEASE, TRANSFERASE, TRANSMEMBRANE, ZINC, ZINC- KEYWDS 10 FINGER, VIRAL PROTEIN EXPDTA SOLUTION NMR AUTHOR A.CHATTERJEE,M.A.JOHNSON,P.SERRANO,B.PEDRINI,J.JOSEPH, AUTHOR 2 K.SAIKATENDU,B.NEUMAN,R.C.STEVENS,I.A.WILSON,M.J.BUCHMEIER, AUTHOR 3 P.KUHN,K.WUTHRICH,JOINT CENTER FOR STRUCTURAL GENOMICS AUTHOR 4 (JCSG) REVDAT 3 10-MAR-09 2JZE 1 JRNL REVDAT 2 24-FEB-09 2JZE 1 VERSN REVDAT 1 05-FEB-08 2JZE 0 JRNL AUTH A.CHATTERJEE,M.A.JOHNSON,P.SERRANO,B.PEDRINI, JRNL AUTH 2 J.S.JOSEPH,B.W.NEUMAN,K.SAIKATENDU,M.J.BUCHMEIER, JRNL AUTH 3 P.KUHN,K.WUTHRICH JRNL TITL NUCLEAR MAGNETIC RESONANCE STRUCTURE SHOWS THAT JRNL TITL 2 THE SEVERE ACUTE RESPIRATORY SYNDROME JRNL TITL 3 CORONAVIRUS-UNIQUE DOMAIN CONTAINS A MACRODOMAIN JRNL TITL 4 FOLD. JRNL REF J.VIROL. V. 83 1823 2009 JRNL REFN ISSN 0022-538X JRNL PMID 19052085 JRNL DOI 10.1128/JVI.01781-08 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : OPAL REMARK 3 AUTHORS : LUGINBUHL, GUNTERT, BILLETER AND WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2JZE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-JAN-08. REMARK 100 THE RCSB ID CODE IS RCSB100481. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 0.227 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.4 MM [U-99% 13C; U-98% 15N] REMARK 210 NSP3(527-651), 25 MM SODIUM REMARK 210 PHOSPHATE, 150 MM SODIUM REMARK 210 CHLORIDE, 2 MM SODIUM AZIDE, REMARK 210 10 % D2O, 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 1H-15N NOESY, 3D 1H-13C REMARK 210 NOESY ALIPHATIC REGION, 3D 1H- REMARK 210 13C NOESY AROMATIC REGION REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA 1.2 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION 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 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 SER A -3 -28.02 -149.62 REMARK 500 MET A -1 -163.58 -118.06 REMARK 500 ARG A 544 8.68 58.69 REMARK 500 TYR A 610 -140.53 -124.97 REMARK 500 SER A 650 73.44 43.69 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 388820 RELATED DB: TARGETDB REMARK 900 RELATED ID: 15618 RELATED DB: BMRB REMARK 900 NMR ASSIGNMENT OF THE DOMAIN 527-651 FROM THE SARS-COV REMARK 900 NONSTRUCTURAL PROTEIN NSP3 REMARK 900 RELATED ID: 15469 RELATED DB: BMRB REMARK 900 NMR ASSIGNMENT OF THE DOMAIN 513-651 FROM THE SARS-COV REMARK 900 NONSTRUCTURAL PROTEIN NSP3 REMARK 900 RELATED ID: 2JZD RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE DOMAIN 527-651 OF THE SARS-COV REMARK 900 NONSTRUCTURAL PROTEIN NSP3, ENSEMBLE OF TWENTY ENERGY REMARK 900 MINIMIZED STRUCTURES REMARK 900 RELATED ID: 2JZF RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE DOMAIN 513-651 OF THE SARS-COV REMARK 900 NONSTRUCTURAL PROTEIN NSP3, SINGLE CONFORMER REMARK 900 RELATED ID: 2RNK RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE DOMAIN 513-651 OF THE SARS-COV REMARK 900 NONSTRUCTURAL PROTEIN NSP3, ENSEMBLE OF TWENTY ENERGY REMARK 900 MINIMIZED STRUCTURES DBREF 2JZE A 527 651 UNP P59641 R1AB_CVHSA 1345 1469 SEQADV 2JZE GLY A -4 UNP P59641 LEADER SEQUENCE SEQADV 2JZE SER A -3 UNP P59641 LEADER SEQUENCE SEQADV 2JZE HIS A -2 UNP P59641 LEADER SEQUENCE SEQADV 2JZE MET A -1 UNP P59641 LEADER SEQUENCE SEQRES 1 A 129 GLY SER HIS MET GLY THR VAL SER TRP ASN LEU ARG GLU SEQRES 2 A 129 MET LEU ALA HIS ALA GLU GLU THR ARG LYS LEU MET PRO SEQRES 3 A 129 ILE CYS MET ASP VAL ARG ALA ILE MET ALA THR ILE GLN SEQRES 4 A 129 ARG LYS TYR LYS GLY ILE LYS ILE GLN GLU GLY ILE VAL SEQRES 5 A 129 ASP TYR GLY VAL ARG PHE PHE PHE TYR THR SER LYS GLU SEQRES 6 A 129 PRO VAL ALA SER ILE ILE THR LYS LEU ASN SER LEU ASN SEQRES 7 A 129 GLU PRO LEU VAL THR MET PRO ILE GLY TYR VAL THR HIS SEQRES 8 A 129 GLY PHE ASN LEU GLU GLU ALA ALA ARG CYS MET ARG SER SEQRES 9 A 129 LEU LYS ALA PRO ALA VAL VAL SER VAL SER SER PRO ASP SEQRES 10 A 129 ALA VAL THR THR TYR ASN GLY TYR LEU THR SER SER HELIX 1 1 ASN A 532 ARG A 544 1 13 HELIX 2 2 VAL A 553 TYR A 564 1 12 HELIX 3 3 PRO A 588 ASN A 600 1 13 HELIX 4 4 TYR A 610 GLY A 614 5 5 HELIX 5 5 ASN A 616 ARG A 625 1 10 HELIX 6 6 PRO A 638 SER A 650 1 13 SHEET 1 A 3 LEU A 546 CYS A 550 0 SHEET 2 A 3 ARG A 579 TYR A 583 1 O TYR A 583 N ILE A 549 SHEET 3 A 3 GLY A 572 ASP A 575 -1 N GLY A 572 O PHE A 582 SHEET 1 B 2 LEU A 603 VAL A 604 0 SHEET 2 B 2 ALA A 631 VAL A 632 1 O VAL A 632 N LEU A 603 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 624 MET CE :methyl 175:sc= -0.348 (180deg=-0.478) USER MOD Set 1.2: A 644 TYR OH : rot 17:sc= -1.09 USER MOD Set 2.1: A 591 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 563 LYS NZ :NH3+ 170:sc= 0.00192 (180deg=0) USER MOD Set 3.2: A 564 TYR OH : rot 180:sc= 0.00187 USER MOD Set 4.1: A 528 THR OG1 : rot 104:sc= 1.11 USER MOD Set 4.2: A 645 ASN : amide:sc= 0.613 K(o=1.7,f=-1.8) USER MOD Set 5.1: A -1 MET CE :methyl -166:sc= -0.197 (180deg=-0.308) USER MOD Set 5.2: A 545 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0074) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 530 SER OG : rot 49:sc= 0.0273 USER MOD Single : A 532 ASN : amide:sc= 0.526 K(o=0.53,f=-7.6!) USER MOD Single : A 536 MET CE :methyl 174:sc= -2.07 (180deg=-2.2) USER MOD Single : A 539 HIS : no HD1:sc= -0.004 X(o=-0.004,f=-0.019) USER MOD Single : A 543 THR OG1 : rot -79:sc= 1.26 USER MOD Single : A 547 MET CE :methyl -169:sc= 0 (180deg=-0.00649) USER MOD Single : A 550 CYS SG : rot 79:sc= -0.152 USER MOD Single : A 551 MET CE :methyl -171:sc= -2.12 (180deg=-2.26) USER MOD Single : A 557 MET CE :methyl 174:sc= -1.24 (180deg=-1.51) USER MOD Single : A 559 THR OG1 : rot 95:sc= 0.186 USER MOD Single : A 561 GLN : amide:sc=-0.00143 K(o=-0.0014,f=-0.89) USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc=-0.00779 F(o=-0.8,f=-0.0078) USER MOD Single : A 576 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 TYR OH : rot 180:sc= 0 USER MOD Single : A 584 THR OG1 : rot 105:sc= 1.29 USER MOD Single : A 585 SER OG : rot -138:sc= 1.21 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 597 ASN : amide:sc= -0.101 K(o=-0.1,f=-11!) USER MOD Single : A 598 SER OG : rot -49:sc= 0.209 USER MOD Single : A 600 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 605 THR OG1 : rot 131:sc= 0.938 USER MOD Single : A 606 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot 110:sc= 0.342 USER MOD Single : A 613 HIS : +bothHN:sc= -1.02 K(o=-1,f=-6.6!) USER MOD Single : A 616 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.3!) USER MOD Single : A 623 CYS SG : rot 170:sc= -0.124 USER MOD Single : A 626 SER OG : rot 92:sc=0.000591 USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 SER OG : rot -175:sc= 0.11 USER MOD Single : A 636 SER OG : rot 180:sc= 0 USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 642 THR OG1 : rot 180:sc=0.000126 USER MOD Single : A 643 THR OG1 : rot 180:sc= 0 USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 85:sc= 0.878 USER MOD Single : A 650 SER OG : rot 15:sc= 0.775 USER MOD Single : A 651 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -0.746 17.401 6.731 1.00 72.24 N ATOM 2 CA GLY A -4 -1.368 16.131 6.333 1.00 31.31 C ATOM 3 C GLY A -4 -1.280 15.109 7.450 1.00 32.13 C ATOM 4 O GLY A -4 -0.186 14.811 7.916 1.00 31.10 O ATOM 0 H1 GLY A -4 -0.819 18.083 5.950 1.00 72.24 H new ATOM 0 H2 GLY A -4 -1.234 17.779 7.568 1.00 72.24 H new ATOM 0 H3 GLY A -4 0.256 17.241 6.958 1.00 72.24 H new ATOM 0 HA2 GLY A -4 -2.413 16.300 6.071 1.00 31.31 H new ATOM 0 HA3 GLY A -4 -0.875 15.744 5.441 1.00 31.31 H new ATOM 8 N SER A -3 -2.427 14.565 7.863 1.00 44.04 N ATOM 9 CA SER A -3 -2.604 13.690 9.018 1.00 62.15 C ATOM 10 C SER A -3 -3.751 12.678 8.837 1.00 51.04 C ATOM 11 O SER A -3 -3.675 11.594 9.420 1.00 72.31 O ATOM 12 CB SER A -3 -2.852 14.584 10.243 1.00 2.20 C ATOM 13 OG SER A -3 -1.597 14.970 10.772 1.00 75.44 O ATOM 0 H SER A -3 -3.304 14.734 7.371 1.00 44.04 H new ATOM 0 HA SER A -3 -1.704 13.089 9.146 1.00 62.15 H new ATOM 0 HB2 SER A -3 -3.432 15.463 9.961 1.00 2.20 H new ATOM 0 HB3 SER A -3 -3.432 14.047 10.994 1.00 2.20 H new ATOM 0 HG SER A -3 -1.734 15.543 11.555 1.00 75.44 H new ATOM 19 N HIS A -2 -4.783 12.994 8.038 1.00 72.11 N ATOM 20 CA HIS A -2 -5.934 12.123 7.775 1.00 0.34 C ATOM 21 C HIS A -2 -5.545 10.877 6.966 1.00 55.12 C ATOM 22 O HIS A -2 -4.422 10.744 6.469 1.00 32.30 O ATOM 23 CB HIS A -2 -7.038 12.916 7.029 1.00 42.01 C ATOM 24 CG HIS A -2 -8.065 13.655 7.857 1.00 31.50 C ATOM 25 ND1 HIS A -2 -9.015 14.504 7.316 1.00 14.20 N ATOM 26 CD2 HIS A -2 -8.399 13.427 9.169 1.00 63.44 C ATOM 27 CE1 HIS A -2 -9.929 14.751 8.272 1.00 52.01 C ATOM 28 NE2 HIS A -2 -9.565 14.131 9.410 1.00 54.12 N ATOM 0 H HIS A -2 -4.839 13.886 7.546 1.00 72.11 H new ATOM 0 HA HIS A -2 -6.313 11.782 8.738 1.00 0.34 H new ATOM 0 HB2 HIS A -2 -6.547 13.642 6.381 1.00 42.01 H new ATOM 0 HB3 HIS A -2 -7.570 12.219 6.382 1.00 42.01 H new ATOM 0 HD2 HIS A -2 -7.857 12.816 9.876 1.00 63.44 H new ATOM 0 HE1 HIS A -2 -10.817 15.353 8.146 1.00 52.01 H new ATOM 0 HE2 HIS A -2 -10.064 14.173 10.299 1.00 54.12 H new ATOM 37 N MET A -1 -6.521 9.977 6.828 1.00 53.34 N ATOM 38 CA MET A -1 -6.495 8.750 6.040 1.00 54.12 C ATOM 39 C MET A -1 -7.577 8.848 4.958 1.00 12.02 C ATOM 40 O MET A -1 -8.028 9.955 4.654 1.00 64.22 O ATOM 41 CB MET A -1 -6.676 7.547 6.981 1.00 72.21 C ATOM 42 CG MET A -1 -5.383 7.229 7.724 1.00 0.10 C ATOM 43 SD MET A -1 -4.878 8.375 9.030 1.00 40.33 S ATOM 44 CE MET A -1 -3.135 7.909 9.139 1.00 13.10 C ATOM 0 H MET A -1 -7.416 10.099 7.301 1.00 53.34 H new ATOM 0 HA MET A -1 -5.540 8.610 5.533 1.00 54.12 H new ATOM 0 HB2 MET A -1 -7.468 7.759 7.699 1.00 72.21 H new ATOM 0 HB3 MET A -1 -6.992 6.676 6.406 1.00 72.21 H new ATOM 0 HG2 MET A -1 -5.481 6.237 8.164 1.00 0.10 H new ATOM 0 HG3 MET A -1 -4.577 7.174 6.992 1.00 0.10 H new ATOM 0 HE1 MET A -1 -2.704 8.322 10.051 1.00 13.10 H new ATOM 0 HE2 MET A -1 -3.049 6.823 9.157 1.00 13.10 H new ATOM 0 HE3 MET A -1 -2.599 8.301 8.275 1.00 13.10 H new ATOM 54 N GLY A 527 -7.961 7.731 4.339 1.00 3.24 N ATOM 55 CA GLY A 527 -8.974 7.698 3.296 1.00 14.12 C ATOM 56 C GLY A 527 -8.332 7.714 1.914 1.00 61.34 C ATOM 57 O GLY A 527 -7.188 8.151 1.760 1.00 53.22 O ATOM 0 H GLY A 527 -7.569 6.814 4.554 1.00 3.24 H new ATOM 0 HA2 GLY A 527 -9.587 6.803 3.407 1.00 14.12 H new ATOM 0 HA3 GLY A 527 -9.639 8.555 3.402 1.00 14.12 H new ATOM 61 N THR A 528 -9.065 7.235 0.914 1.00 71.21 N ATOM 62 CA THR A 528 -8.591 7.033 -0.451 1.00 65.44 C ATOM 63 C THR A 528 -8.251 8.359 -1.129 1.00 33.31 C ATOM 64 O THR A 528 -8.915 9.373 -0.892 1.00 25.24 O ATOM 65 CB THR A 528 -9.663 6.266 -1.244 1.00 1.23 C ATOM 66 OG1 THR A 528 -10.177 5.261 -0.406 1.00 41.21 O ATOM 67 CG2 THR A 528 -9.150 5.631 -2.543 1.00 63.12 C ATOM 0 H THR A 528 -10.041 6.967 1.036 1.00 71.21 H new ATOM 0 HA THR A 528 -7.671 6.449 -0.424 1.00 65.44 H new ATOM 0 HB THR A 528 -10.423 6.986 -1.547 1.00 1.23 H new ATOM 0 HG1 THR A 528 -11.057 5.533 -0.070 1.00 41.21 H new ATOM 0 HG21 THR A 528 -9.968 5.110 -3.041 1.00 63.12 H new ATOM 0 HG22 THR A 528 -8.762 6.409 -3.200 1.00 63.12 H new ATOM 0 HG23 THR A 528 -8.355 4.922 -2.312 1.00 63.12 H new ATOM 75 N VAL A 529 -7.260 8.336 -2.013 1.00 31.14 N ATOM 76 CA VAL A 529 -6.828 9.452 -2.837 1.00 64.13 C ATOM 77 C VAL A 529 -6.534 8.912 -4.244 1.00 14.02 C ATOM 78 O VAL A 529 -6.688 7.718 -4.501 1.00 14.24 O ATOM 79 CB VAL A 529 -5.612 10.140 -2.177 1.00 22.42 C ATOM 80 CG1 VAL A 529 -5.935 10.715 -0.787 1.00 34.21 C ATOM 81 CG2 VAL A 529 -4.430 9.173 -2.026 1.00 13.42 C ATOM 0 H VAL A 529 -6.710 7.494 -2.181 1.00 31.14 H new ATOM 0 HA VAL A 529 -7.600 10.216 -2.925 1.00 64.13 H new ATOM 0 HB VAL A 529 -5.348 10.958 -2.847 1.00 22.42 H new ATOM 0 HG11 VAL A 529 -5.044 11.186 -0.372 1.00 34.21 H new ATOM 0 HG12 VAL A 529 -6.729 11.456 -0.875 1.00 34.21 H new ATOM 0 HG13 VAL A 529 -6.261 9.911 -0.127 1.00 34.21 H new ATOM 0 HG21 VAL A 529 -3.593 9.692 -1.558 1.00 13.42 H new ATOM 0 HG22 VAL A 529 -4.728 8.329 -1.404 1.00 13.42 H new ATOM 0 HG23 VAL A 529 -4.129 8.811 -3.009 1.00 13.42 H new ATOM 91 N SER A 530 -6.082 9.766 -5.152 1.00 4.01 N ATOM 92 CA SER A 530 -5.610 9.393 -6.471 1.00 40.32 C ATOM 93 C SER A 530 -4.191 9.930 -6.611 1.00 40.41 C ATOM 94 O SER A 530 -3.963 10.973 -7.221 1.00 52.21 O ATOM 95 CB SER A 530 -6.592 9.889 -7.538 1.00 24.30 C ATOM 96 OG SER A 530 -6.938 11.257 -7.386 1.00 74.11 O ATOM 0 H SER A 530 -6.034 10.770 -4.981 1.00 4.01 H new ATOM 0 HA SER A 530 -5.569 8.313 -6.612 1.00 40.32 H new ATOM 0 HB2 SER A 530 -6.153 9.739 -8.524 1.00 24.30 H new ATOM 0 HB3 SER A 530 -7.498 9.285 -7.497 1.00 24.30 H new ATOM 0 HG SER A 530 -6.123 11.790 -7.277 1.00 74.11 H new ATOM 102 N TRP A 531 -3.236 9.252 -5.975 1.00 14.24 N ATOM 103 CA TRP A 531 -1.824 9.600 -6.056 1.00 73.44 C ATOM 104 C TRP A 531 -1.115 8.594 -6.948 1.00 55.21 C ATOM 105 O TRP A 531 -1.658 7.530 -7.270 1.00 42.02 O ATOM 106 CB TRP A 531 -1.215 9.622 -4.653 1.00 14.41 C ATOM 107 CG TRP A 531 -1.715 10.683 -3.722 1.00 1.32 C ATOM 108 CD1 TRP A 531 -2.529 11.724 -4.021 1.00 25.43 C ATOM 109 CD2 TRP A 531 -1.460 10.781 -2.296 1.00 60.24 C ATOM 110 NE1 TRP A 531 -2.829 12.424 -2.870 1.00 65.22 N ATOM 111 CE2 TRP A 531 -2.237 11.851 -1.764 1.00 44.53 C ATOM 112 CE3 TRP A 531 -0.715 10.002 -1.391 1.00 20.55 C ATOM 113 CZ2 TRP A 531 -2.319 12.091 -0.384 1.00 63.21 C ATOM 114 CZ3 TRP A 531 -0.778 10.247 -0.010 1.00 15.12 C ATOM 115 CH2 TRP A 531 -1.588 11.279 0.497 1.00 12.01 C ATOM 0 H TRP A 531 -3.425 8.441 -5.386 1.00 14.24 H new ATOM 0 HA TRP A 531 -1.706 10.594 -6.489 1.00 73.44 H new ATOM 0 HB2 TRP A 531 -1.392 8.651 -4.190 1.00 14.41 H new ATOM 0 HB3 TRP A 531 -0.136 9.736 -4.752 1.00 14.41 H new ATOM 0 HD1 TRP A 531 -2.888 11.969 -5.010 1.00 25.43 H new ATOM 0 HE1 TRP A 531 -3.414 13.259 -2.841 1.00 65.22 H new ATOM 0 HE3 TRP A 531 -0.087 9.206 -1.763 1.00 20.55 H new ATOM 0 HZ2 TRP A 531 -2.937 12.891 -0.004 1.00 63.21 H new ATOM 0 HZ3 TRP A 531 -0.200 9.638 0.669 1.00 15.12 H new ATOM 0 HH2 TRP A 531 -1.647 11.446 1.562 1.00 12.01 H new ATOM 126 N ASN A 532 0.122 8.923 -7.300 1.00 11.03 N ATOM 127 CA ASN A 532 1.030 8.053 -8.022 1.00 0.54 C ATOM 128 C ASN A 532 2.101 7.585 -7.048 1.00 64.55 C ATOM 129 O ASN A 532 2.152 8.019 -5.894 1.00 44.02 O ATOM 130 CB ASN A 532 1.645 8.802 -9.216 1.00 25.42 C ATOM 131 CG ASN A 532 2.501 10.004 -8.820 1.00 23.34 C ATOM 132 OD1 ASN A 532 2.446 10.508 -7.709 1.00 45.33 O ATOM 133 ND2 ASN A 532 3.303 10.518 -9.730 1.00 23.20 N ATOM 0 H ASN A 532 0.530 9.832 -7.082 1.00 11.03 H new ATOM 0 HA ASN A 532 0.500 7.189 -8.423 1.00 0.54 H new ATOM 0 HB2 ASN A 532 2.256 8.107 -9.792 1.00 25.42 H new ATOM 0 HB3 ASN A 532 0.843 9.140 -9.872 1.00 25.42 H new ATOM 0 HD21 ASN A 532 3.874 11.333 -9.505 1.00 23.20 H new ATOM 0 HD22 ASN A 532 3.353 10.101 -10.660 1.00 23.20 H new ATOM 140 N LEU A 533 2.986 6.713 -7.533 1.00 1.32 N ATOM 141 CA LEU A 533 4.087 6.184 -6.742 1.00 3.45 C ATOM 142 C LEU A 533 4.920 7.327 -6.157 1.00 40.22 C ATOM 143 O LEU A 533 5.247 7.266 -4.978 1.00 15.41 O ATOM 144 CB LEU A 533 4.909 5.219 -7.615 1.00 43.11 C ATOM 145 CG LEU A 533 5.871 4.239 -6.910 1.00 1.11 C ATOM 146 CD1 LEU A 533 7.096 4.912 -6.288 1.00 51.21 C ATOM 147 CD2 LEU A 533 5.160 3.371 -5.866 1.00 1.32 C ATOM 0 H LEU A 533 2.955 6.356 -8.488 1.00 1.32 H new ATOM 0 HA LEU A 533 3.711 5.618 -5.890 1.00 3.45 H new ATOM 0 HB2 LEU A 533 4.210 4.630 -8.209 1.00 43.11 H new ATOM 0 HB3 LEU A 533 5.495 5.818 -8.312 1.00 43.11 H new ATOM 0 HG LEU A 533 6.234 3.594 -7.710 1.00 1.11 H new ATOM 0 HD11 LEU A 533 7.723 4.158 -5.812 1.00 51.21 H new ATOM 0 HD12 LEU A 533 7.666 5.420 -7.066 1.00 51.21 H new ATOM 0 HD13 LEU A 533 6.773 5.638 -5.542 1.00 51.21 H new ATOM 0 HD21 LEU A 533 5.881 2.699 -5.399 1.00 1.32 H new ATOM 0 HD22 LEU A 533 4.714 4.010 -5.104 1.00 1.32 H new ATOM 0 HD23 LEU A 533 4.379 2.785 -6.351 1.00 1.32 H new ATOM 159 N ARG A 534 5.218 8.373 -6.946 1.00 11.15 N ATOM 160 CA ARG A 534 5.990 9.530 -6.486 1.00 3.35 C ATOM 161 C ARG A 534 5.386 10.116 -5.219 1.00 11.11 C ATOM 162 O ARG A 534 6.101 10.286 -4.233 1.00 5.01 O ATOM 163 CB ARG A 534 6.052 10.647 -7.541 1.00 51.33 C ATOM 164 CG ARG A 534 6.812 10.296 -8.825 1.00 14.22 C ATOM 165 CD ARG A 534 6.936 11.564 -9.681 1.00 20.15 C ATOM 166 NE ARG A 534 7.913 11.397 -10.764 1.00 3.21 N ATOM 167 CZ ARG A 534 7.788 11.756 -12.046 1.00 52.11 C ATOM 168 NH1 ARG A 534 6.654 12.302 -12.484 1.00 73.53 N ATOM 169 NH2 ARG A 534 8.809 11.568 -12.874 1.00 65.32 N ATOM 0 H ARG A 534 4.928 8.436 -7.922 1.00 11.15 H new ATOM 0 HA ARG A 534 6.998 9.163 -6.295 1.00 3.35 H new ATOM 0 HB2 ARG A 534 5.033 10.929 -7.807 1.00 51.33 H new ATOM 0 HB3 ARG A 534 6.518 11.523 -7.091 1.00 51.33 H new ATOM 0 HG2 ARG A 534 7.800 9.903 -8.585 1.00 14.22 H new ATOM 0 HG3 ARG A 534 6.285 9.517 -9.376 1.00 14.22 H new ATOM 0 HD2 ARG A 534 5.963 11.813 -10.104 1.00 20.15 H new ATOM 0 HD3 ARG A 534 7.233 12.401 -9.049 1.00 20.15 H new ATOM 0 HE ARG A 534 8.795 10.953 -10.507 1.00 3.21 H new ATOM 0 HH11 ARG A 534 5.876 12.448 -11.840 1.00 73.53 H new ATOM 0 HH12 ARG A 534 6.564 12.574 -13.463 1.00 73.53 H new ATOM 0 HH21 ARG A 534 9.675 11.154 -12.530 1.00 65.32 H new ATOM 0 HH22 ARG A 534 8.727 11.837 -13.854 1.00 65.32 H new ATOM 183 N GLU A 535 4.097 10.445 -5.261 1.00 2.31 N ATOM 184 CA GLU A 535 3.414 11.145 -4.197 1.00 51.12 C ATOM 185 C GLU A 535 3.316 10.256 -2.962 1.00 74.25 C ATOM 186 O GLU A 535 3.580 10.724 -1.857 1.00 32.12 O ATOM 187 CB GLU A 535 2.065 11.623 -4.731 1.00 14.05 C ATOM 188 CG GLU A 535 2.264 12.863 -5.622 1.00 22.33 C ATOM 189 CD GLU A 535 2.245 14.182 -4.828 1.00 43.02 C ATOM 190 OE1 GLU A 535 2.843 14.259 -3.727 1.00 20.34 O ATOM 191 OE2 GLU A 535 1.686 15.170 -5.359 1.00 13.34 O ATOM 0 H GLU A 535 3.494 10.225 -6.054 1.00 2.31 H new ATOM 0 HA GLU A 535 3.969 12.026 -3.875 1.00 51.12 H new ATOM 0 HB2 GLU A 535 1.587 10.827 -5.302 1.00 14.05 H new ATOM 0 HB3 GLU A 535 1.400 11.863 -3.901 1.00 14.05 H new ATOM 0 HG2 GLU A 535 3.214 12.776 -6.149 1.00 22.33 H new ATOM 0 HG3 GLU A 535 1.480 12.889 -6.379 1.00 22.33 H new ATOM 198 N MET A 536 3.032 8.959 -3.131 1.00 64.41 N ATOM 199 CA MET A 536 3.094 8.008 -2.023 1.00 74.34 C ATOM 200 C MET A 536 4.470 8.034 -1.354 1.00 55.13 C ATOM 201 O MET A 536 4.540 8.192 -0.135 1.00 71.44 O ATOM 202 CB MET A 536 2.804 6.581 -2.488 1.00 11.01 C ATOM 203 CG MET A 536 1.389 6.357 -2.999 1.00 5.02 C ATOM 204 SD MET A 536 1.181 4.619 -3.455 1.00 73.14 S ATOM 205 CE MET A 536 -0.580 4.676 -3.794 1.00 32.41 C ATOM 0 H MET A 536 2.758 8.548 -4.023 1.00 64.41 H new ATOM 0 HA MET A 536 2.330 8.312 -1.307 1.00 74.34 H new ATOM 0 HB2 MET A 536 3.507 6.321 -3.279 1.00 11.01 H new ATOM 0 HB3 MET A 536 2.989 5.898 -1.659 1.00 11.01 H new ATOM 0 HG2 MET A 536 0.666 6.632 -2.231 1.00 5.02 H new ATOM 0 HG3 MET A 536 1.197 6.996 -3.861 1.00 5.02 H new ATOM 0 HE1 MET A 536 -0.904 3.718 -4.200 1.00 32.41 H new ATOM 0 HE2 MET A 536 -1.122 4.881 -2.871 1.00 32.41 H new ATOM 0 HE3 MET A 536 -0.786 5.465 -4.518 1.00 32.41 H new ATOM 215 N LEU A 537 5.545 7.881 -2.138 1.00 44.01 N ATOM 216 CA LEU A 537 6.926 7.830 -1.653 1.00 0.12 C ATOM 217 C LEU A 537 7.258 9.118 -0.900 1.00 22.41 C ATOM 218 O LEU A 537 7.843 9.063 0.181 1.00 53.52 O ATOM 219 CB LEU A 537 7.903 7.624 -2.837 1.00 24.40 C ATOM 220 CG LEU A 537 8.922 6.476 -2.727 1.00 33.50 C ATOM 221 CD1 LEU A 537 8.268 5.109 -2.509 1.00 25.25 C ATOM 222 CD2 LEU A 537 9.725 6.423 -4.038 1.00 44.03 C ATOM 0 H LEU A 537 5.474 7.787 -3.151 1.00 44.01 H new ATOM 0 HA LEU A 537 7.033 6.987 -0.970 1.00 0.12 H new ATOM 0 HB2 LEU A 537 7.311 7.462 -3.738 1.00 24.40 H new ATOM 0 HB3 LEU A 537 8.456 8.552 -2.982 1.00 24.40 H new ATOM 0 HG LEU A 537 9.551 6.677 -1.860 1.00 33.50 H new ATOM 0 HD11 LEU A 537 9.040 4.343 -2.440 1.00 25.25 H new ATOM 0 HD12 LEU A 537 7.690 5.126 -1.585 1.00 25.25 H new ATOM 0 HD13 LEU A 537 7.608 4.884 -3.346 1.00 25.25 H new ATOM 0 HD21 LEU A 537 10.455 5.616 -3.985 1.00 44.03 H new ATOM 0 HD22 LEU A 537 9.047 6.245 -4.873 1.00 44.03 H new ATOM 0 HD23 LEU A 537 10.242 7.371 -4.187 1.00 44.03 H new ATOM 234 N ALA A 538 6.889 10.269 -1.472 1.00 31.24 N ATOM 235 CA ALA A 538 7.170 11.585 -0.919 1.00 75.14 C ATOM 236 C ALA A 538 6.493 11.717 0.441 1.00 54.53 C ATOM 237 O ALA A 538 7.133 12.050 1.442 1.00 62.31 O ATOM 238 CB ALA A 538 6.684 12.687 -1.874 1.00 52.02 C ATOM 0 H ALA A 538 6.375 10.305 -2.352 1.00 31.24 H new ATOM 0 HA ALA A 538 8.247 11.699 -0.795 1.00 75.14 H new ATOM 0 HB1 ALA A 538 6.903 13.664 -1.443 1.00 52.02 H new ATOM 0 HB2 ALA A 538 7.195 12.590 -2.832 1.00 52.02 H new ATOM 0 HB3 ALA A 538 5.609 12.590 -2.025 1.00 52.02 H new ATOM 244 N HIS A 539 5.192 11.422 0.459 1.00 53.05 N ATOM 245 CA HIS A 539 4.325 11.501 1.623 1.00 23.35 C ATOM 246 C HIS A 539 4.864 10.600 2.717 1.00 11.10 C ATOM 247 O HIS A 539 4.972 11.021 3.864 1.00 14.02 O ATOM 248 CB HIS A 539 2.907 11.069 1.230 1.00 2.25 C ATOM 249 CG HIS A 539 1.837 11.515 2.194 1.00 52.03 C ATOM 250 ND1 HIS A 539 1.497 12.819 2.503 1.00 52.01 N ATOM 251 CD2 HIS A 539 1.005 10.687 2.890 1.00 54.14 C ATOM 252 CE1 HIS A 539 0.501 12.773 3.409 1.00 0.12 C ATOM 253 NE2 HIS A 539 0.193 11.486 3.672 1.00 13.50 N ATOM 0 H HIS A 539 4.698 11.108 -0.376 1.00 53.05 H new ATOM 0 HA HIS A 539 4.295 12.526 1.993 1.00 23.35 H new ATOM 0 HB2 HIS A 539 2.679 11.467 0.241 1.00 2.25 H new ATOM 0 HB3 HIS A 539 2.879 9.982 1.150 1.00 2.25 H new ATOM 0 HD2 HIS A 539 0.985 9.608 2.839 1.00 54.14 H new ATOM 0 HE1 HIS A 539 0.023 13.633 3.855 1.00 0.12 H new ATOM 0 HE2 HIS A 539 -0.514 11.161 4.331 1.00 13.50 H new ATOM 262 N ALA A 540 5.149 9.347 2.380 1.00 2.20 N ATOM 263 CA ALA A 540 5.704 8.358 3.303 1.00 51.25 C ATOM 264 C ALA A 540 6.992 8.858 3.951 1.00 25.14 C ATOM 265 O ALA A 540 7.114 8.750 5.172 1.00 44.43 O ATOM 266 CB ALA A 540 5.913 7.016 2.594 1.00 65.22 C ATOM 0 H ALA A 540 4.999 8.981 1.440 1.00 2.20 H new ATOM 0 HA ALA A 540 4.983 8.204 4.106 1.00 51.25 H new ATOM 0 HB1 ALA A 540 6.327 6.293 3.297 1.00 65.22 H new ATOM 0 HB2 ALA A 540 4.957 6.650 2.218 1.00 65.22 H new ATOM 0 HB3 ALA A 540 6.604 7.148 1.761 1.00 65.22 H new ATOM 272 N GLU A 541 7.916 9.443 3.186 1.00 53.14 N ATOM 273 CA GLU A 541 9.104 10.074 3.703 1.00 72.33 C ATOM 274 C GLU A 541 8.754 11.141 4.743 1.00 24.40 C ATOM 275 O GLU A 541 9.247 11.091 5.867 1.00 40.05 O ATOM 276 CB GLU A 541 9.873 10.694 2.527 1.00 42.04 C ATOM 277 CG GLU A 541 11.367 10.439 2.675 1.00 20.42 C ATOM 278 CD GLU A 541 12.180 11.594 2.094 1.00 54.01 C ATOM 279 OE1 GLU A 541 12.040 11.854 0.876 1.00 13.14 O ATOM 280 OE2 GLU A 541 12.886 12.320 2.837 1.00 52.11 O ATOM 0 H GLU A 541 7.846 9.485 2.169 1.00 53.14 H new ATOM 0 HA GLU A 541 9.724 9.330 4.203 1.00 72.33 H new ATOM 0 HB2 GLU A 541 9.517 10.271 1.588 1.00 42.04 H new ATOM 0 HB3 GLU A 541 9.683 11.767 2.485 1.00 42.04 H new ATOM 0 HG2 GLU A 541 11.615 10.309 3.729 1.00 20.42 H new ATOM 0 HG3 GLU A 541 11.633 9.511 2.168 1.00 20.42 H new ATOM 287 N GLU A 542 7.908 12.106 4.381 1.00 20.25 N ATOM 288 CA GLU A 542 7.610 13.249 5.231 1.00 33.21 C ATOM 289 C GLU A 542 6.911 12.790 6.507 1.00 64.51 C ATOM 290 O GLU A 542 7.288 13.169 7.614 1.00 42.02 O ATOM 291 CB GLU A 542 6.748 14.244 4.445 1.00 72.23 C ATOM 292 CG GLU A 542 6.540 15.535 5.245 1.00 4.40 C ATOM 293 CD GLU A 542 6.031 16.669 4.358 1.00 42.13 C ATOM 294 OE1 GLU A 542 6.823 17.182 3.535 1.00 23.31 O ATOM 295 OE2 GLU A 542 4.854 17.073 4.493 1.00 32.41 O ATOM 0 H GLU A 542 7.412 12.113 3.490 1.00 20.25 H new ATOM 0 HA GLU A 542 8.535 13.745 5.526 1.00 33.21 H new ATOM 0 HB2 GLU A 542 7.227 14.474 3.493 1.00 72.23 H new ATOM 0 HB3 GLU A 542 5.782 13.793 4.216 1.00 72.23 H new ATOM 0 HG2 GLU A 542 5.828 15.354 6.050 1.00 4.40 H new ATOM 0 HG3 GLU A 542 7.480 15.831 5.711 1.00 4.40 H new ATOM 302 N THR A 543 5.879 11.966 6.351 1.00 13.11 N ATOM 303 CA THR A 543 5.037 11.514 7.445 1.00 12.02 C ATOM 304 C THR A 543 5.731 10.453 8.315 1.00 4.30 C ATOM 305 O THR A 543 5.238 10.167 9.407 1.00 20.40 O ATOM 306 CB THR A 543 3.669 11.061 6.903 1.00 1.00 C ATOM 307 OG1 THR A 543 3.772 10.007 5.959 1.00 64.53 O ATOM 308 CG2 THR A 543 2.900 12.207 6.230 1.00 20.51 C ATOM 0 H THR A 543 5.603 11.589 5.444 1.00 13.11 H new ATOM 0 HA THR A 543 4.859 12.353 8.117 1.00 12.02 H new ATOM 0 HB THR A 543 3.130 10.712 7.784 1.00 1.00 H new ATOM 0 HG1 THR A 543 4.036 10.372 5.089 1.00 64.53 H new ATOM 0 HG21 THR A 543 1.942 11.837 5.864 1.00 20.51 H new ATOM 0 HG22 THR A 543 2.729 13.004 6.953 1.00 20.51 H new ATOM 0 HG23 THR A 543 3.482 12.594 5.394 1.00 20.51 H new ATOM 316 N ARG A 544 6.847 9.861 7.853 1.00 62.23 N ATOM 317 CA ARG A 544 7.498 8.668 8.416 1.00 74.51 C ATOM 318 C ARG A 544 6.569 7.442 8.446 1.00 22.32 C ATOM 319 O ARG A 544 6.892 6.424 9.061 1.00 0.30 O ATOM 320 CB ARG A 544 8.162 8.946 9.782 1.00 72.23 C ATOM 321 CG ARG A 544 9.551 9.592 9.697 1.00 64.35 C ATOM 322 CD ARG A 544 9.554 11.095 9.419 1.00 34.53 C ATOM 323 NE ARG A 544 10.792 11.714 9.938 1.00 41.23 N ATOM 324 CZ ARG A 544 11.058 12.084 11.202 1.00 61.22 C ATOM 325 NH1 ARG A 544 10.097 12.082 12.121 1.00 0.55 N ATOM 326 NH2 ARG A 544 12.279 12.464 11.566 1.00 62.22 N ATOM 0 H ARG A 544 7.342 10.220 7.037 1.00 62.23 H new ATOM 0 HA ARG A 544 8.307 8.413 7.731 1.00 74.51 H new ATOM 0 HB2 ARG A 544 7.508 9.596 10.363 1.00 72.23 H new ATOM 0 HB3 ARG A 544 8.245 8.007 10.329 1.00 72.23 H new ATOM 0 HG2 ARG A 544 10.076 9.411 10.635 1.00 64.35 H new ATOM 0 HG3 ARG A 544 10.119 9.092 8.912 1.00 64.35 H new ATOM 0 HD2 ARG A 544 9.473 11.273 8.347 1.00 34.53 H new ATOM 0 HD3 ARG A 544 8.685 11.559 9.885 1.00 34.53 H new ATOM 0 HE ARG A 544 11.532 11.880 9.256 1.00 41.23 H new ATOM 0 HH11 ARG A 544 9.150 11.798 11.868 1.00 0.55 H new ATOM 0 HH12 ARG A 544 10.306 12.364 13.079 1.00 0.55 H new ATOM 0 HH21 ARG A 544 13.034 12.478 10.881 1.00 62.22 H new ATOM 0 HH22 ARG A 544 12.460 12.741 12.531 1.00 62.22 H new ATOM 340 N LYS A 545 5.389 7.517 7.826 1.00 1.02 N ATOM 341 CA LYS A 545 4.406 6.439 7.857 1.00 0.21 C ATOM 342 C LYS A 545 4.894 5.278 6.998 1.00 12.04 C ATOM 343 O LYS A 545 5.717 5.462 6.099 1.00 2.43 O ATOM 344 CB LYS A 545 3.051 6.967 7.379 1.00 24.21 C ATOM 345 CG LYS A 545 2.437 7.923 8.415 1.00 62.35 C ATOM 346 CD LYS A 545 1.119 8.550 7.944 1.00 24.40 C ATOM 347 CE LYS A 545 0.326 9.145 9.112 1.00 12.42 C ATOM 348 NZ LYS A 545 -0.550 10.263 8.690 1.00 61.23 N ATOM 0 H LYS A 545 5.091 8.330 7.288 1.00 1.02 H new ATOM 0 HA LYS A 545 4.283 6.073 8.876 1.00 0.21 H new ATOM 0 HB2 LYS A 545 3.173 7.485 6.428 1.00 24.21 H new ATOM 0 HB3 LYS A 545 2.373 6.132 7.202 1.00 24.21 H new ATOM 0 HG2 LYS A 545 2.263 7.380 9.344 1.00 62.35 H new ATOM 0 HG3 LYS A 545 3.151 8.716 8.638 1.00 62.35 H new ATOM 0 HD2 LYS A 545 1.328 9.330 7.211 1.00 24.40 H new ATOM 0 HD3 LYS A 545 0.515 7.794 7.442 1.00 24.40 H new ATOM 0 HE2 LYS A 545 -0.281 8.364 9.570 1.00 12.42 H new ATOM 0 HE3 LYS A 545 1.019 9.499 9.875 1.00 12.42 H new ATOM 0 HZ1 LYS A 545 -1.090 10.609 9.509 1.00 61.23 H new ATOM 0 HZ2 LYS A 545 0.032 11.035 8.308 1.00 61.23 H new ATOM 0 HZ3 LYS A 545 -1.208 9.931 7.957 1.00 61.23 H new ATOM 362 N LEU A 546 4.362 4.091 7.268 1.00 62.15 N ATOM 363 CA LEU A 546 4.760 2.858 6.606 1.00 61.43 C ATOM 364 C LEU A 546 4.187 2.852 5.177 1.00 0.23 C ATOM 365 O LEU A 546 3.120 3.419 4.927 1.00 54.44 O ATOM 366 CB LEU A 546 4.268 1.709 7.507 1.00 21.31 C ATOM 367 CG LEU A 546 4.792 0.283 7.240 1.00 20.33 C ATOM 368 CD1 LEU A 546 4.377 -0.606 8.423 1.00 40.31 C ATOM 369 CD2 LEU A 546 4.251 -0.337 5.944 1.00 11.42 C ATOM 0 H LEU A 546 3.630 3.958 7.965 1.00 62.15 H new ATOM 0 HA LEU A 546 5.837 2.749 6.481 1.00 61.43 H new ATOM 0 HB2 LEU A 546 4.518 1.966 8.536 1.00 21.31 H new ATOM 0 HB3 LEU A 546 3.180 1.679 7.441 1.00 21.31 H new ATOM 0 HG LEU A 546 5.874 0.348 7.129 1.00 20.33 H new ATOM 0 HD11 LEU A 546 4.736 -1.622 8.258 1.00 40.31 H new ATOM 0 HD12 LEU A 546 4.810 -0.213 9.343 1.00 40.31 H new ATOM 0 HD13 LEU A 546 3.290 -0.615 8.508 1.00 40.31 H new ATOM 0 HD21 LEU A 546 4.662 -1.339 5.821 1.00 11.42 H new ATOM 0 HD22 LEU A 546 3.164 -0.394 5.994 1.00 11.42 H new ATOM 0 HD23 LEU A 546 4.543 0.281 5.095 1.00 11.42 H new ATOM 381 N MET A 547 4.851 2.187 4.233 1.00 73.53 N ATOM 382 CA MET A 547 4.382 2.044 2.855 1.00 2.22 C ATOM 383 C MET A 547 4.561 0.592 2.393 1.00 4.24 C ATOM 384 O MET A 547 5.704 0.179 2.214 1.00 42.43 O ATOM 385 CB MET A 547 5.144 3.045 1.970 1.00 15.40 C ATOM 386 CG MET A 547 4.689 2.979 0.511 1.00 13.14 C ATOM 387 SD MET A 547 5.309 4.349 -0.492 1.00 5.13 S ATOM 388 CE MET A 547 4.877 3.735 -2.137 1.00 12.34 C ATOM 0 H MET A 547 5.744 1.725 4.406 1.00 73.53 H new ATOM 0 HA MET A 547 3.318 2.270 2.780 1.00 2.22 H new ATOM 0 HB2 MET A 547 4.993 4.055 2.352 1.00 15.40 H new ATOM 0 HB3 MET A 547 6.213 2.839 2.027 1.00 15.40 H new ATOM 0 HG2 MET A 547 5.024 2.038 0.075 1.00 13.14 H new ATOM 0 HG3 MET A 547 3.600 2.976 0.477 1.00 13.14 H new ATOM 0 HE1 MET A 547 5.356 4.356 -2.894 1.00 12.34 H new ATOM 0 HE2 MET A 547 5.219 2.705 -2.242 1.00 12.34 H new ATOM 0 HE3 MET A 547 3.795 3.773 -2.267 1.00 12.34 H new ATOM 398 N PRO A 548 3.498 -0.221 2.228 1.00 41.51 N ATOM 399 CA PRO A 548 3.630 -1.571 1.682 1.00 0.14 C ATOM 400 C PRO A 548 3.717 -1.608 0.148 1.00 23.32 C ATOM 401 O PRO A 548 3.058 -0.805 -0.528 1.00 34.11 O ATOM 402 CB PRO A 548 2.400 -2.336 2.171 1.00 61.42 C ATOM 403 CG PRO A 548 1.352 -1.241 2.305 1.00 20.30 C ATOM 404 CD PRO A 548 2.156 -0.018 2.747 1.00 53.34 C ATOM 0 HA PRO A 548 4.565 -2.016 2.022 1.00 0.14 H new ATOM 0 HB2 PRO A 548 2.093 -3.104 1.461 1.00 61.42 H new ATOM 0 HB3 PRO A 548 2.586 -2.836 3.122 1.00 61.42 H new ATOM 0 HG2 PRO A 548 0.838 -1.062 1.361 1.00 20.30 H new ATOM 0 HG3 PRO A 548 0.590 -1.505 3.038 1.00 20.30 H new ATOM 0 HD2 PRO A 548 1.719 0.900 2.355 1.00 53.34 H new ATOM 0 HD3 PRO A 548 2.166 0.072 3.833 1.00 53.34 H new ATOM 412 N ILE A 549 4.461 -2.589 -0.389 1.00 51.22 N ATOM 413 CA ILE A 549 4.790 -2.754 -1.808 1.00 24.20 C ATOM 414 C ILE A 549 4.658 -4.229 -2.184 1.00 43.54 C ATOM 415 O ILE A 549 5.344 -5.083 -1.623 1.00 62.33 O ATOM 416 CB ILE A 549 6.217 -2.225 -2.136 1.00 11.02 C ATOM 417 CG1 ILE A 549 6.329 -0.725 -1.819 1.00 23.41 C ATOM 418 CG2 ILE A 549 6.573 -2.459 -3.615 1.00 3.33 C ATOM 419 CD1 ILE A 549 6.905 -0.513 -0.434 1.00 45.35 C ATOM 0 H ILE A 549 4.869 -3.325 0.188 1.00 51.22 H new ATOM 0 HA ILE A 549 4.091 -2.162 -2.398 1.00 24.20 H new ATOM 0 HB ILE A 549 6.919 -2.779 -1.513 1.00 11.02 H new ATOM 0 HG12 ILE A 549 6.962 -0.238 -2.560 1.00 23.41 H new ATOM 0 HG13 ILE A 549 5.345 -0.260 -1.885 1.00 23.41 H new ATOM 0 HG21 ILE A 549 7.575 -2.079 -3.813 1.00 3.33 H new ATOM 0 HG22 ILE A 549 6.540 -3.527 -3.833 1.00 3.33 H new ATOM 0 HG23 ILE A 549 5.856 -1.938 -4.249 1.00 3.33 H new ATOM 0 HD11 ILE A 549 6.976 0.555 -0.229 1.00 45.35 H new ATOM 0 HD12 ILE A 549 6.256 -0.982 0.306 1.00 45.35 H new ATOM 0 HD13 ILE A 549 7.898 -0.960 -0.381 1.00 45.35 H new ATOM 431 N CYS A 550 3.806 -4.526 -3.163 1.00 43.15 N ATOM 432 CA CYS A 550 3.725 -5.850 -3.752 1.00 54.22 C ATOM 433 C CYS A 550 4.937 -6.082 -4.672 1.00 4.43 C ATOM 434 O CYS A 550 5.004 -5.509 -5.758 1.00 72.22 O ATOM 435 CB CYS A 550 2.386 -5.983 -4.489 1.00 12.25 C ATOM 436 SG CYS A 550 1.952 -7.734 -4.612 1.00 42.03 S ATOM 0 H CYS A 550 3.155 -3.852 -3.566 1.00 43.15 H new ATOM 0 HA CYS A 550 3.759 -6.622 -2.983 1.00 54.22 H new ATOM 0 HB2 CYS A 550 1.607 -5.439 -3.955 1.00 12.25 H new ATOM 0 HB3 CYS A 550 2.458 -5.542 -5.483 1.00 12.25 H new ATOM 0 HG CYS A 550 1.465 -8.141 -3.478 1.00 42.03 H new ATOM 442 N MET A 551 5.879 -6.922 -4.235 1.00 4.24 N ATOM 443 CA MET A 551 7.150 -7.261 -4.895 1.00 4.10 C ATOM 444 C MET A 551 6.979 -7.740 -6.339 1.00 62.51 C ATOM 445 O MET A 551 7.780 -7.420 -7.214 1.00 31.24 O ATOM 446 CB MET A 551 7.838 -8.376 -4.092 1.00 32.42 C ATOM 447 CG MET A 551 8.120 -7.939 -2.659 1.00 54.32 C ATOM 448 SD MET A 551 8.719 -9.238 -1.544 1.00 13.02 S ATOM 449 CE MET A 551 10.487 -8.850 -1.470 1.00 31.12 C ATOM 0 H MET A 551 5.770 -7.419 -3.351 1.00 4.24 H new ATOM 0 HA MET A 551 7.746 -6.349 -4.926 1.00 4.10 H new ATOM 0 HB2 MET A 551 7.206 -9.264 -4.085 1.00 32.42 H new ATOM 0 HB3 MET A 551 8.773 -8.654 -4.580 1.00 32.42 H new ATOM 0 HG2 MET A 551 8.858 -7.137 -2.682 1.00 54.32 H new ATOM 0 HG3 MET A 551 7.205 -7.519 -2.240 1.00 54.32 H new ATOM 0 HE1 MET A 551 11.014 -9.652 -0.954 1.00 31.12 H new ATOM 0 HE2 MET A 551 10.880 -8.750 -2.482 1.00 31.12 H new ATOM 0 HE3 MET A 551 10.632 -7.914 -0.930 1.00 31.12 H new ATOM 459 N ASP A 552 5.905 -8.490 -6.566 1.00 25.24 N ATOM 460 CA ASP A 552 5.439 -9.041 -7.846 1.00 63.31 C ATOM 461 C ASP A 552 5.460 -7.976 -8.948 1.00 43.32 C ATOM 462 O ASP A 552 5.841 -8.227 -10.100 1.00 13.04 O ATOM 463 CB ASP A 552 4.014 -9.568 -7.598 1.00 11.43 C ATOM 464 CG ASP A 552 3.290 -10.260 -8.751 1.00 42.01 C ATOM 465 OD1 ASP A 552 3.649 -10.120 -9.934 1.00 71.54 O ATOM 466 OD2 ASP A 552 2.301 -10.969 -8.432 1.00 71.34 O ATOM 0 H ASP A 552 5.284 -8.753 -5.801 1.00 25.24 H new ATOM 0 HA ASP A 552 6.094 -9.842 -8.191 1.00 63.31 H new ATOM 0 HB2 ASP A 552 4.059 -10.269 -6.764 1.00 11.43 H new ATOM 0 HB3 ASP A 552 3.400 -8.727 -7.275 1.00 11.43 H new ATOM 471 N VAL A 553 5.108 -6.742 -8.578 1.00 21.32 N ATOM 472 CA VAL A 553 5.070 -5.601 -9.470 1.00 20.52 C ATOM 473 C VAL A 553 6.485 -5.061 -9.597 1.00 54.04 C ATOM 474 O VAL A 553 6.873 -4.039 -9.024 1.00 72.35 O ATOM 475 CB VAL A 553 4.027 -4.568 -9.005 1.00 62.24 C ATOM 476 CG1 VAL A 553 3.732 -3.569 -10.136 1.00 31.10 C ATOM 477 CG2 VAL A 553 2.712 -5.260 -8.623 1.00 60.35 C ATOM 0 H VAL A 553 4.836 -6.512 -7.622 1.00 21.32 H new ATOM 0 HA VAL A 553 4.735 -5.886 -10.467 1.00 20.52 H new ATOM 0 HB VAL A 553 4.436 -4.049 -8.138 1.00 62.24 H new ATOM 0 HG11 VAL A 553 2.993 -2.843 -9.797 1.00 31.10 H new ATOM 0 HG12 VAL A 553 4.650 -3.050 -10.412 1.00 31.10 H new ATOM 0 HG13 VAL A 553 3.343 -4.104 -11.002 1.00 31.10 H new ATOM 0 HG21 VAL A 553 1.989 -4.512 -8.297 1.00 60.35 H new ATOM 0 HG22 VAL A 553 2.318 -5.794 -9.487 1.00 60.35 H new ATOM 0 HG23 VAL A 553 2.894 -5.966 -7.813 1.00 60.35 H new ATOM 487 N ARG A 554 7.273 -5.759 -10.404 1.00 62.34 N ATOM 488 CA ARG A 554 8.666 -5.405 -10.623 1.00 31.21 C ATOM 489 C ARG A 554 8.828 -4.017 -11.243 1.00 23.43 C ATOM 490 O ARG A 554 9.874 -3.396 -11.060 1.00 22.22 O ATOM 491 CB ARG A 554 9.375 -6.496 -11.428 1.00 33.43 C ATOM 492 CG ARG A 554 9.610 -7.751 -10.569 1.00 61.35 C ATOM 493 CD ARG A 554 10.589 -8.689 -11.288 1.00 54.02 C ATOM 494 NE ARG A 554 11.402 -9.486 -10.357 1.00 60.31 N ATOM 495 CZ ARG A 554 12.664 -9.887 -10.555 1.00 11.35 C ATOM 496 NH1 ARG A 554 13.281 -9.688 -11.718 1.00 2.50 N ATOM 497 NH2 ARG A 554 13.322 -10.461 -9.559 1.00 20.23 N ATOM 0 H ARG A 554 6.965 -6.582 -10.922 1.00 62.34 H new ATOM 0 HA ARG A 554 9.151 -5.344 -9.649 1.00 31.21 H new ATOM 0 HB2 ARG A 554 8.776 -6.756 -12.301 1.00 33.43 H new ATOM 0 HB3 ARG A 554 10.329 -6.119 -11.796 1.00 33.43 H new ATOM 0 HG2 ARG A 554 10.010 -7.468 -9.595 1.00 61.35 H new ATOM 0 HG3 ARG A 554 8.665 -8.263 -10.389 1.00 61.35 H new ATOM 0 HD2 ARG A 554 10.030 -9.360 -11.941 1.00 54.02 H new ATOM 0 HD3 ARG A 554 11.248 -8.100 -11.926 1.00 54.02 H new ATOM 0 HE ARG A 554 10.963 -9.759 -9.478 1.00 60.31 H new ATOM 0 HH11 ARG A 554 12.792 -9.221 -12.482 1.00 2.50 H new ATOM 0 HH12 ARG A 554 14.243 -10.002 -11.845 1.00 2.50 H new ATOM 0 HH21 ARG A 554 12.867 -10.592 -8.656 1.00 20.23 H new ATOM 0 HH22 ARG A 554 14.284 -10.772 -9.695 1.00 20.23 H new ATOM 511 N ALA A 555 7.793 -3.488 -11.898 1.00 15.43 N ATOM 512 CA ALA A 555 7.759 -2.107 -12.357 1.00 51.05 C ATOM 513 C ALA A 555 7.849 -1.097 -11.202 1.00 62.52 C ATOM 514 O ALA A 555 8.441 -0.031 -11.377 1.00 73.25 O ATOM 515 CB ALA A 555 6.474 -1.885 -13.155 1.00 5.52 C ATOM 0 H ALA A 555 6.949 -4.015 -12.125 1.00 15.43 H new ATOM 0 HA ALA A 555 8.634 -1.938 -12.985 1.00 51.05 H new ATOM 0 HB1 ALA A 555 6.437 -0.853 -13.505 1.00 5.52 H new ATOM 0 HB2 ALA A 555 6.456 -2.559 -14.011 1.00 5.52 H new ATOM 0 HB3 ALA A 555 5.612 -2.084 -12.519 1.00 5.52 H new ATOM 521 N ILE A 556 7.268 -1.405 -10.038 1.00 32.22 N ATOM 522 CA ILE A 556 7.399 -0.611 -8.818 1.00 5.02 C ATOM 523 C ILE A 556 8.762 -0.913 -8.191 1.00 71.22 C ATOM 524 O ILE A 556 9.430 0.020 -7.740 1.00 44.21 O ATOM 525 CB ILE A 556 6.235 -0.917 -7.838 1.00 63.41 C ATOM 526 CG1 ILE A 556 4.888 -0.452 -8.431 1.00 15.10 C ATOM 527 CG2 ILE A 556 6.489 -0.233 -6.484 1.00 12.21 C ATOM 528 CD1 ILE A 556 3.659 -0.886 -7.619 1.00 65.12 C ATOM 0 H ILE A 556 6.682 -2.231 -9.918 1.00 32.22 H new ATOM 0 HA ILE A 556 7.341 0.452 -9.052 1.00 5.02 H new ATOM 0 HB ILE A 556 6.187 -1.995 -7.683 1.00 63.41 H new ATOM 0 HG12 ILE A 556 4.894 0.635 -8.507 1.00 15.10 H new ATOM 0 HG13 ILE A 556 4.796 -0.842 -9.445 1.00 15.10 H new ATOM 0 HG21 ILE A 556 5.666 -0.455 -5.804 1.00 12.21 H new ATOM 0 HG22 ILE A 556 7.421 -0.604 -6.058 1.00 12.21 H new ATOM 0 HG23 ILE A 556 6.560 0.845 -6.629 1.00 12.21 H new ATOM 0 HD11 ILE A 556 2.754 -0.519 -8.104 1.00 65.12 H new ATOM 0 HD12 ILE A 556 3.625 -1.974 -7.564 1.00 65.12 H new ATOM 0 HD13 ILE A 556 3.724 -0.474 -6.612 1.00 65.12 H new ATOM 540 N MET A 557 9.184 -2.187 -8.165 1.00 41.45 N ATOM 541 CA MET A 557 10.473 -2.560 -7.589 1.00 15.14 C ATOM 542 C MET A 557 11.578 -1.737 -8.227 1.00 42.45 C ATOM 543 O MET A 557 12.305 -1.079 -7.496 1.00 4.32 O ATOM 544 CB MET A 557 10.792 -4.053 -7.727 1.00 23.33 C ATOM 545 CG MET A 557 9.842 -4.957 -6.936 1.00 1.52 C ATOM 546 SD MET A 557 10.563 -5.652 -5.426 1.00 34.14 S ATOM 547 CE MET A 557 10.708 -4.154 -4.428 1.00 22.41 C ATOM 0 H MET A 557 8.648 -2.971 -8.537 1.00 41.45 H new ATOM 0 HA MET A 557 10.410 -2.352 -6.521 1.00 15.14 H new ATOM 0 HB2 MET A 557 10.750 -4.329 -8.781 1.00 23.33 H new ATOM 0 HB3 MET A 557 11.814 -4.231 -7.391 1.00 23.33 H new ATOM 0 HG2 MET A 557 8.952 -4.386 -6.671 1.00 1.52 H new ATOM 0 HG3 MET A 557 9.517 -5.774 -7.579 1.00 1.52 H new ATOM 0 HE1 MET A 557 11.037 -4.417 -3.423 1.00 22.41 H new ATOM 0 HE2 MET A 557 11.435 -3.482 -4.884 1.00 22.41 H new ATOM 0 HE3 MET A 557 9.739 -3.657 -4.374 1.00 22.41 H new ATOM 557 N ALA A 558 11.674 -1.713 -9.561 1.00 35.20 N ATOM 558 CA ALA A 558 12.705 -0.968 -10.269 1.00 61.24 C ATOM 559 C ALA A 558 12.709 0.503 -9.843 1.00 11.21 C ATOM 560 O ALA A 558 13.754 1.032 -9.481 1.00 54.42 O ATOM 561 CB ALA A 558 12.503 -1.109 -11.782 1.00 44.52 C ATOM 0 H ALA A 558 11.033 -2.214 -10.177 1.00 35.20 H new ATOM 0 HA ALA A 558 13.679 -1.383 -10.010 1.00 61.24 H new ATOM 0 HB1 ALA A 558 13.278 -0.549 -12.306 1.00 44.52 H new ATOM 0 HB2 ALA A 558 12.564 -2.161 -12.061 1.00 44.52 H new ATOM 0 HB3 ALA A 558 11.524 -0.717 -12.056 1.00 44.52 H new ATOM 567 N THR A 559 11.550 1.159 -9.845 1.00 54.34 N ATOM 568 CA THR A 559 11.379 2.542 -9.419 1.00 33.23 C ATOM 569 C THR A 559 11.978 2.781 -8.023 1.00 23.11 C ATOM 570 O THR A 559 12.768 3.709 -7.836 1.00 14.01 O ATOM 571 CB THR A 559 9.869 2.829 -9.509 1.00 13.04 C ATOM 572 OG1 THR A 559 9.466 2.889 -10.866 1.00 62.11 O ATOM 573 CG2 THR A 559 9.399 4.082 -8.786 1.00 0.32 C ATOM 0 H THR A 559 10.679 0.727 -10.153 1.00 54.34 H new ATOM 0 HA THR A 559 11.922 3.238 -10.058 1.00 33.23 H new ATOM 0 HB THR A 559 9.395 1.996 -8.990 1.00 13.04 H new ATOM 0 HG1 THR A 559 9.122 2.014 -11.144 1.00 62.11 H new ATOM 0 HG21 THR A 559 8.322 4.192 -8.911 1.00 0.32 H new ATOM 0 HG22 THR A 559 9.634 4.000 -7.725 1.00 0.32 H new ATOM 0 HG23 THR A 559 9.904 4.954 -9.203 1.00 0.32 H new ATOM 581 N ILE A 560 11.616 1.959 -7.040 1.00 35.10 N ATOM 582 CA ILE A 560 12.074 2.118 -5.664 1.00 1.22 C ATOM 583 C ILE A 560 13.568 1.781 -5.602 1.00 34.23 C ATOM 584 O ILE A 560 14.340 2.587 -5.096 1.00 42.44 O ATOM 585 CB ILE A 560 11.167 1.273 -4.741 1.00 64.14 C ATOM 586 CG1 ILE A 560 9.766 1.933 -4.757 1.00 71.32 C ATOM 587 CG2 ILE A 560 11.713 1.177 -3.304 1.00 22.14 C ATOM 588 CD1 ILE A 560 8.711 1.205 -3.932 1.00 13.10 C ATOM 0 H ILE A 560 10.995 1.162 -7.177 1.00 35.10 H new ATOM 0 HA ILE A 560 11.987 3.144 -5.306 1.00 1.22 H new ATOM 0 HB ILE A 560 11.126 0.247 -5.108 1.00 64.14 H new ATOM 0 HG12 ILE A 560 9.856 2.954 -4.387 1.00 71.32 H new ATOM 0 HG13 ILE A 560 9.421 1.997 -5.789 1.00 71.32 H new ATOM 0 HG21 ILE A 560 11.038 0.573 -2.698 1.00 22.14 H new ATOM 0 HG22 ILE A 560 12.700 0.714 -3.320 1.00 22.14 H new ATOM 0 HG23 ILE A 560 11.788 2.177 -2.876 1.00 22.14 H new ATOM 0 HD11 ILE A 560 7.763 1.738 -4.002 1.00 13.10 H new ATOM 0 HD12 ILE A 560 8.586 0.192 -4.313 1.00 13.10 H new ATOM 0 HD13 ILE A 560 9.028 1.164 -2.890 1.00 13.10 H new ATOM 600 N GLN A 561 13.996 0.643 -6.150 1.00 33.34 N ATOM 601 CA GLN A 561 15.376 0.165 -6.137 1.00 11.14 C ATOM 602 C GLN A 561 16.344 1.157 -6.782 1.00 40.15 C ATOM 603 O GLN A 561 17.506 1.228 -6.384 1.00 31.50 O ATOM 604 CB GLN A 561 15.476 -1.173 -6.885 1.00 75.43 C ATOM 605 CG GLN A 561 14.861 -2.366 -6.146 1.00 41.45 C ATOM 606 CD GLN A 561 14.972 -3.631 -6.996 1.00 24.11 C ATOM 607 OE1 GLN A 561 14.269 -3.826 -7.986 1.00 60.22 O ATOM 608 NE2 GLN A 561 15.863 -4.535 -6.629 1.00 52.52 N ATOM 0 H GLN A 561 13.364 0.005 -6.634 1.00 33.34 H new ATOM 0 HA GLN A 561 15.657 0.045 -5.091 1.00 11.14 H new ATOM 0 HB2 GLN A 561 14.986 -1.070 -7.853 1.00 75.43 H new ATOM 0 HB3 GLN A 561 16.527 -1.387 -7.081 1.00 75.43 H new ATOM 0 HG2 GLN A 561 15.370 -2.514 -5.193 1.00 41.45 H new ATOM 0 HG3 GLN A 561 13.814 -2.162 -5.920 1.00 41.45 H new ATOM 0 HE21 GLN A 561 16.446 -4.373 -5.808 1.00 52.52 H new ATOM 0 HE22 GLN A 561 15.968 -5.395 -7.167 1.00 52.52 H new ATOM 617 N ARG A 562 15.906 1.906 -7.796 1.00 73.25 N ATOM 618 CA ARG A 562 16.704 2.962 -8.418 1.00 60.34 C ATOM 619 C ARG A 562 17.063 4.016 -7.375 1.00 23.12 C ATOM 620 O ARG A 562 18.243 4.319 -7.185 1.00 51.04 O ATOM 621 CB ARG A 562 15.941 3.555 -9.618 1.00 44.23 C ATOM 622 CG ARG A 562 16.049 2.643 -10.851 1.00 40.55 C ATOM 623 CD ARG A 562 15.112 3.041 -11.999 1.00 72.41 C ATOM 624 NE ARG A 562 15.710 4.089 -12.844 1.00 20.34 N ATOM 625 CZ ARG A 562 15.579 4.222 -14.172 1.00 43.05 C ATOM 626 NH1 ARG A 562 14.729 3.465 -14.857 1.00 34.22 N ATOM 627 NH2 ARG A 562 16.318 5.122 -14.804 1.00 60.23 N ATOM 0 H ARG A 562 14.981 1.795 -8.211 1.00 73.25 H new ATOM 0 HA ARG A 562 17.638 2.552 -8.801 1.00 60.34 H new ATOM 0 HB2 ARG A 562 14.892 3.691 -9.354 1.00 44.23 H new ATOM 0 HB3 ARG A 562 16.341 4.541 -9.855 1.00 44.23 H new ATOM 0 HG2 ARG A 562 17.077 2.656 -11.212 1.00 40.55 H new ATOM 0 HG3 ARG A 562 15.829 1.618 -10.554 1.00 40.55 H new ATOM 0 HD2 ARG A 562 14.888 2.165 -12.608 1.00 72.41 H new ATOM 0 HD3 ARG A 562 14.166 3.397 -11.591 1.00 72.41 H new ATOM 0 HE ARG A 562 16.284 4.786 -12.369 1.00 20.34 H new ATOM 0 HH11 ARG A 562 14.162 2.768 -14.373 1.00 34.22 H new ATOM 0 HH12 ARG A 562 14.643 3.580 -15.867 1.00 34.22 H new ATOM 0 HH21 ARG A 562 16.975 5.701 -14.281 1.00 60.23 H new ATOM 0 HH22 ARG A 562 16.230 5.236 -15.814 1.00 60.23 H new ATOM 641 N LYS A 563 16.060 4.566 -6.686 1.00 33.20 N ATOM 642 CA LYS A 563 16.268 5.588 -5.659 1.00 13.41 C ATOM 643 C LYS A 563 16.988 4.964 -4.462 1.00 22.15 C ATOM 644 O LYS A 563 18.103 5.364 -4.118 1.00 60.31 O ATOM 645 CB LYS A 563 14.908 6.242 -5.321 1.00 11.42 C ATOM 646 CG LYS A 563 14.944 7.746 -4.981 1.00 24.14 C ATOM 647 CD LYS A 563 14.986 8.095 -3.482 1.00 64.13 C ATOM 648 CE LYS A 563 14.264 9.432 -3.231 1.00 12.40 C ATOM 649 NZ LYS A 563 14.325 9.866 -1.818 1.00 55.33 N ATOM 0 H LYS A 563 15.081 4.315 -6.825 1.00 33.20 H new ATOM 0 HA LYS A 563 16.916 6.391 -6.011 1.00 13.41 H new ATOM 0 HB2 LYS A 563 14.238 6.098 -6.169 1.00 11.42 H new ATOM 0 HB3 LYS A 563 14.472 5.710 -4.476 1.00 11.42 H new ATOM 0 HG2 LYS A 563 15.817 8.187 -5.462 1.00 24.14 H new ATOM 0 HG3 LYS A 563 14.066 8.219 -5.420 1.00 24.14 H new ATOM 0 HD2 LYS A 563 14.513 7.302 -2.902 1.00 64.13 H new ATOM 0 HD3 LYS A 563 16.020 8.162 -3.145 1.00 64.13 H new ATOM 0 HE2 LYS A 563 14.708 10.202 -3.861 1.00 12.40 H new ATOM 0 HE3 LYS A 563 13.221 9.337 -3.531 1.00 12.40 H new ATOM 0 HZ1 LYS A 563 13.975 10.842 -1.739 1.00 55.33 H new ATOM 0 HZ2 LYS A 563 13.734 9.238 -1.236 1.00 55.33 H new ATOM 0 HZ3 LYS A 563 15.309 9.823 -1.484 1.00 55.33 H new ATOM 663 N TYR A 564 16.369 3.971 -3.836 1.00 15.20 N ATOM 664 CA TYR A 564 16.811 3.293 -2.633 1.00 65.13 C ATOM 665 C TYR A 564 17.612 2.057 -3.054 1.00 24.50 C ATOM 666 O TYR A 564 17.090 0.943 -3.015 1.00 33.32 O ATOM 667 CB TYR A 564 15.577 2.933 -1.775 1.00 12.32 C ATOM 668 CG TYR A 564 14.681 4.099 -1.400 1.00 53.41 C ATOM 669 CD1 TYR A 564 14.900 4.835 -0.218 1.00 2.21 C ATOM 670 CD2 TYR A 564 13.605 4.440 -2.240 1.00 65.21 C ATOM 671 CE1 TYR A 564 14.081 5.935 0.093 1.00 32.41 C ATOM 672 CE2 TYR A 564 12.794 5.544 -1.943 1.00 13.41 C ATOM 673 CZ TYR A 564 13.045 6.317 -0.786 1.00 31.40 C ATOM 674 OH TYR A 564 12.329 7.450 -0.552 1.00 2.30 O ATOM 0 H TYR A 564 15.486 3.596 -4.182 1.00 15.20 H new ATOM 0 HA TYR A 564 17.455 3.928 -2.024 1.00 65.13 H new ATOM 0 HB2 TYR A 564 14.981 2.199 -2.317 1.00 12.32 H new ATOM 0 HB3 TYR A 564 15.920 2.452 -0.859 1.00 12.32 H new ATOM 0 HD1 TYR A 564 15.700 4.553 0.451 1.00 2.21 H new ATOM 0 HD2 TYR A 564 13.403 3.847 -3.120 1.00 65.21 H new ATOM 0 HE1 TYR A 564 14.245 6.488 1.006 1.00 32.41 H new ATOM 0 HE2 TYR A 564 11.976 5.805 -2.599 1.00 13.41 H new ATOM 0 HH TYR A 564 11.656 7.563 -1.256 1.00 2.30 H new ATOM 684 N LYS A 565 18.868 2.210 -3.499 1.00 34.30 N ATOM 685 CA LYS A 565 19.632 1.078 -4.005 1.00 12.35 C ATOM 686 C LYS A 565 20.381 0.338 -2.901 1.00 15.23 C ATOM 687 O LYS A 565 20.486 -0.884 -2.977 1.00 13.42 O ATOM 688 CB LYS A 565 20.569 1.553 -5.129 1.00 53.21 C ATOM 689 CG LYS A 565 21.355 0.346 -5.644 1.00 13.54 C ATOM 690 CD LYS A 565 22.137 0.561 -6.937 1.00 14.42 C ATOM 691 CE LYS A 565 23.461 1.288 -6.699 1.00 71.14 C ATOM 692 NZ LYS A 565 24.219 1.433 -7.958 1.00 53.31 N ATOM 0 H LYS A 565 19.366 3.100 -3.516 1.00 34.30 H new ATOM 0 HA LYS A 565 18.934 0.349 -4.418 1.00 12.35 H new ATOM 0 HB2 LYS A 565 19.993 2.004 -5.937 1.00 53.21 H new ATOM 0 HB3 LYS A 565 21.250 2.319 -4.757 1.00 53.21 H new ATOM 0 HG2 LYS A 565 22.053 0.034 -4.868 1.00 13.54 H new ATOM 0 HG3 LYS A 565 20.658 -0.478 -5.796 1.00 13.54 H new ATOM 0 HD2 LYS A 565 22.333 -0.404 -7.405 1.00 14.42 H new ATOM 0 HD3 LYS A 565 21.529 1.136 -7.635 1.00 14.42 H new ATOM 0 HE2 LYS A 565 23.268 2.272 -6.271 1.00 71.14 H new ATOM 0 HE3 LYS A 565 24.058 0.736 -5.973 1.00 71.14 H new ATOM 0 HZ1 LYS A 565 25.113 1.929 -7.770 1.00 53.31 H new ATOM 0 HZ2 LYS A 565 24.422 0.492 -8.352 1.00 53.31 H new ATOM 0 HZ3 LYS A 565 23.657 1.980 -8.641 1.00 53.31 H new ATOM 706 N GLY A 566 20.895 1.039 -1.885 1.00 22.43 N ATOM 707 CA GLY A 566 21.719 0.395 -0.862 1.00 22.12 C ATOM 708 C GLY A 566 20.951 -0.646 -0.043 1.00 43.01 C ATOM 709 O GLY A 566 21.553 -1.503 0.604 1.00 32.21 O ATOM 0 H GLY A 566 20.756 2.041 -1.751 1.00 22.43 H new ATOM 0 HA2 GLY A 566 22.573 -0.085 -1.340 1.00 22.12 H new ATOM 0 HA3 GLY A 566 22.116 1.156 -0.191 1.00 22.12 H new ATOM 713 N ILE A 567 19.621 -0.597 -0.073 1.00 1.01 N ATOM 714 CA ILE A 567 18.780 -1.645 0.457 1.00 54.01 C ATOM 715 C ILE A 567 18.701 -2.802 -0.535 1.00 41.03 C ATOM 716 O ILE A 567 18.385 -2.604 -1.709 1.00 72.23 O ATOM 717 CB ILE A 567 17.421 -1.050 0.838 1.00 61.33 C ATOM 718 CG1 ILE A 567 16.447 -2.116 1.307 1.00 20.42 C ATOM 719 CG2 ILE A 567 16.691 -0.132 -0.154 1.00 63.21 C ATOM 720 CD1 ILE A 567 15.457 -2.588 0.236 1.00 11.05 C ATOM 0 H ILE A 567 19.100 0.184 -0.472 1.00 1.01 H new ATOM 0 HA ILE A 567 19.203 -2.067 1.368 1.00 54.01 H new ATOM 0 HB ILE A 567 17.734 -0.378 1.637 1.00 61.33 H new ATOM 0 HG12 ILE A 567 17.014 -2.976 1.664 1.00 20.42 H new ATOM 0 HG13 ILE A 567 15.886 -1.729 2.157 1.00 20.42 H new ATOM 0 HG21 ILE A 567 15.747 0.196 0.281 1.00 63.21 H new ATOM 0 HG22 ILE A 567 17.312 0.737 -0.370 1.00 63.21 H new ATOM 0 HG23 ILE A 567 16.495 -0.677 -1.077 1.00 63.21 H new ATOM 0 HD11 ILE A 567 14.800 -3.349 0.658 1.00 11.05 H new ATOM 0 HD12 ILE A 567 14.860 -1.742 -0.106 1.00 11.05 H new ATOM 0 HD13 ILE A 567 16.006 -3.009 -0.606 1.00 11.05 H new ATOM 732 N LYS A 568 18.954 -4.014 -0.047 1.00 31.43 N ATOM 733 CA LYS A 568 18.609 -5.246 -0.747 1.00 4.01 C ATOM 734 C LYS A 568 17.132 -5.460 -0.480 1.00 63.55 C ATOM 735 O LYS A 568 16.746 -5.383 0.680 1.00 52.42 O ATOM 736 CB LYS A 568 19.429 -6.417 -0.191 1.00 41.11 C ATOM 737 CG LYS A 568 20.912 -6.277 -0.574 1.00 32.23 C ATOM 738 CD LYS A 568 21.869 -6.293 0.620 1.00 1.10 C ATOM 739 CE LYS A 568 21.729 -5.021 1.457 1.00 32.14 C ATOM 740 NZ LYS A 568 22.780 -4.894 2.485 1.00 52.43 N ATOM 0 H LYS A 568 19.408 -4.169 0.853 1.00 31.43 H new ATOM 0 HA LYS A 568 18.822 -5.183 -1.814 1.00 4.01 H new ATOM 0 HB2 LYS A 568 19.331 -6.452 0.894 1.00 41.11 H new ATOM 0 HB3 LYS A 568 19.036 -7.357 -0.577 1.00 41.11 H new ATOM 0 HG2 LYS A 568 21.179 -7.088 -1.251 1.00 32.23 H new ATOM 0 HG3 LYS A 568 21.048 -5.345 -1.123 1.00 32.23 H new ATOM 0 HD2 LYS A 568 21.665 -7.165 1.241 1.00 1.10 H new ATOM 0 HD3 LYS A 568 22.895 -6.387 0.266 1.00 1.10 H new ATOM 0 HE2 LYS A 568 21.764 -4.153 0.799 1.00 32.14 H new ATOM 0 HE3 LYS A 568 20.752 -5.015 1.940 1.00 32.14 H new ATOM 0 HZ1 LYS A 568 22.636 -4.015 3.022 1.00 52.43 H new ATOM 0 HZ2 LYS A 568 22.732 -5.707 3.132 1.00 52.43 H new ATOM 0 HZ3 LYS A 568 23.713 -4.871 2.026 1.00 52.43 H new ATOM 754 N ILE A 569 16.297 -5.697 -1.489 1.00 40.04 N ATOM 755 CA ILE A 569 14.905 -6.039 -1.235 1.00 44.12 C ATOM 756 C ILE A 569 14.892 -7.295 -0.354 1.00 43.45 C ATOM 757 O ILE A 569 15.593 -8.266 -0.650 1.00 71.31 O ATOM 758 CB ILE A 569 14.145 -6.211 -2.566 1.00 55.12 C ATOM 759 CG1 ILE A 569 14.171 -4.956 -3.469 1.00 32.22 C ATOM 760 CG2 ILE A 569 12.696 -6.630 -2.313 1.00 42.04 C ATOM 761 CD1 ILE A 569 13.781 -3.653 -2.776 1.00 65.11 C ATOM 0 H ILE A 569 16.557 -5.659 -2.475 1.00 40.04 H new ATOM 0 HA ILE A 569 14.384 -5.242 -0.704 1.00 44.12 H new ATOM 0 HB ILE A 569 14.675 -6.997 -3.104 1.00 55.12 H new ATOM 0 HG12 ILE A 569 15.174 -4.844 -3.881 1.00 32.22 H new ATOM 0 HG13 ILE A 569 13.497 -5.118 -4.310 1.00 32.22 H new ATOM 0 HG21 ILE A 569 12.179 -6.745 -3.266 1.00 42.04 H new ATOM 0 HG22 ILE A 569 12.680 -7.577 -1.774 1.00 42.04 H new ATOM 0 HG23 ILE A 569 12.195 -5.866 -1.718 1.00 42.04 H new ATOM 0 HD11 ILE A 569 13.830 -2.832 -3.491 1.00 65.11 H new ATOM 0 HD12 ILE A 569 12.766 -3.737 -2.388 1.00 65.11 H new ATOM 0 HD13 ILE A 569 14.469 -3.459 -1.953 1.00 65.11 H new ATOM 773 N GLN A 570 14.078 -7.282 0.696 1.00 35.54 N ATOM 774 CA GLN A 570 13.742 -8.441 1.522 1.00 42.05 C ATOM 775 C GLN A 570 12.233 -8.495 1.655 1.00 2.31 C ATOM 776 O GLN A 570 11.583 -7.462 1.533 1.00 13.42 O ATOM 777 CB GLN A 570 14.385 -8.362 2.917 1.00 23.45 C ATOM 778 CG GLN A 570 15.923 -8.232 2.963 1.00 2.25 C ATOM 779 CD GLN A 570 16.455 -6.944 3.607 1.00 53.32 C ATOM 780 OE1 GLN A 570 15.886 -5.798 3.284 1.00 74.32 O flip ATOM 781 NE2 GLN A 570 17.435 -6.936 4.351 1.00 60.12 N flip ATOM 0 H GLN A 570 13.614 -6.429 1.010 1.00 35.54 H new ATOM 0 HA GLN A 570 14.129 -9.341 1.044 1.00 42.05 H new ATOM 0 HB2 GLN A 570 13.955 -7.509 3.442 1.00 23.45 H new ATOM 0 HB3 GLN A 570 14.102 -9.255 3.474 1.00 23.45 H new ATOM 0 HG2 GLN A 570 16.327 -9.085 3.509 1.00 2.25 H new ATOM 0 HG3 GLN A 570 16.307 -8.295 1.945 1.00 2.25 H new ATOM 0 HE21 GLN A 570 17.886 -7.814 4.610 1.00 60.12 H new ATOM 0 HE22 GLN A 570 17.796 -6.052 4.709 1.00 60.12 H new ATOM 790 N GLU A 571 11.695 -9.684 1.900 1.00 1.04 N ATOM 791 CA GLU A 571 10.296 -9.906 2.193 1.00 44.01 C ATOM 792 C GLU A 571 10.088 -9.453 3.651 1.00 15.21 C ATOM 793 O GLU A 571 10.828 -9.906 4.533 1.00 14.43 O ATOM 794 CB GLU A 571 10.050 -11.418 2.003 1.00 75.42 C ATOM 795 CG GLU A 571 9.544 -11.768 0.593 1.00 1.31 C ATOM 796 CD GLU A 571 9.461 -13.270 0.282 1.00 43.04 C ATOM 797 OE1 GLU A 571 9.166 -14.067 1.200 1.00 20.25 O ATOM 798 OE2 GLU A 571 9.630 -13.664 -0.898 1.00 44.11 O ATOM 0 H GLU A 571 12.244 -10.544 1.899 1.00 1.04 H new ATOM 0 HA GLU A 571 9.603 -9.358 1.554 1.00 44.01 H new ATOM 0 HB2 GLU A 571 10.976 -11.959 2.196 1.00 75.42 H new ATOM 0 HB3 GLU A 571 9.322 -11.758 2.740 1.00 75.42 H new ATOM 0 HG2 GLU A 571 8.554 -11.331 0.461 1.00 1.31 H new ATOM 0 HG3 GLU A 571 10.201 -11.298 -0.139 1.00 1.31 H new ATOM 805 N GLY A 572 9.130 -8.557 3.914 1.00 42.22 N ATOM 806 CA GLY A 572 8.825 -8.031 5.248 1.00 32.21 C ATOM 807 C GLY A 572 9.272 -6.581 5.422 1.00 54.11 C ATOM 808 O GLY A 572 9.554 -5.901 4.436 1.00 42.25 O ATOM 0 H GLY A 572 8.531 -8.168 3.186 1.00 42.22 H new ATOM 0 HA2 GLY A 572 7.752 -8.101 5.426 1.00 32.21 H new ATOM 0 HA3 GLY A 572 9.313 -8.651 6.000 1.00 32.21 H new ATOM 812 N ILE A 573 9.271 -6.077 6.664 1.00 45.33 N ATOM 813 CA ILE A 573 9.644 -4.698 7.015 1.00 74.22 C ATOM 814 C ILE A 573 11.079 -4.422 6.581 1.00 40.13 C ATOM 815 O ILE A 573 12.020 -5.091 7.019 1.00 43.23 O ATOM 816 CB ILE A 573 9.465 -4.440 8.533 1.00 1.20 C ATOM 817 CG1 ILE A 573 7.984 -4.480 8.956 1.00 14.30 C ATOM 818 CG2 ILE A 573 10.104 -3.122 9.024 1.00 1.11 C ATOM 819 CD1 ILE A 573 7.159 -3.252 8.545 1.00 13.24 C ATOM 0 H ILE A 573 9.003 -6.633 7.476 1.00 45.33 H new ATOM 0 HA ILE A 573 8.980 -4.014 6.486 1.00 74.22 H new ATOM 0 HB ILE A 573 10.001 -5.259 9.013 1.00 1.20 H new ATOM 0 HG12 ILE A 573 7.523 -5.369 8.526 1.00 14.30 H new ATOM 0 HG13 ILE A 573 7.934 -4.587 10.040 1.00 14.30 H new ATOM 0 HG21 ILE A 573 9.936 -3.013 10.096 1.00 1.11 H new ATOM 0 HG22 ILE A 573 11.175 -3.141 8.825 1.00 1.11 H new ATOM 0 HG23 ILE A 573 9.652 -2.281 8.499 1.00 1.11 H new ATOM 0 HD11 ILE A 573 6.131 -3.373 8.887 1.00 13.24 H new ATOM 0 HD12 ILE A 573 7.588 -2.358 8.996 1.00 13.24 H new ATOM 0 HD13 ILE A 573 7.171 -3.152 7.460 1.00 13.24 H new ATOM 831 N VAL A 574 11.239 -3.382 5.769 1.00 15.00 N ATOM 832 CA VAL A 574 12.529 -2.860 5.366 1.00 51.02 C ATOM 833 C VAL A 574 12.515 -1.365 5.640 1.00 0.22 C ATOM 834 O VAL A 574 12.153 -0.548 4.796 1.00 12.05 O ATOM 835 CB VAL A 574 12.877 -3.269 3.932 1.00 60.13 C ATOM 836 CG1 VAL A 574 14.243 -2.709 3.550 1.00 40.14 C ATOM 837 CG2 VAL A 574 12.912 -4.801 3.780 1.00 61.34 C ATOM 0 H VAL A 574 10.454 -2.871 5.367 1.00 15.00 H new ATOM 0 HA VAL A 574 13.345 -3.292 5.946 1.00 51.02 H new ATOM 0 HB VAL A 574 12.105 -2.866 3.276 1.00 60.13 H new ATOM 0 HG11 VAL A 574 14.484 -3.004 2.529 1.00 40.14 H new ATOM 0 HG12 VAL A 574 14.222 -1.621 3.619 1.00 40.14 H new ATOM 0 HG13 VAL A 574 15.000 -3.101 4.229 1.00 40.14 H new ATOM 0 HG21 VAL A 574 13.162 -5.059 2.751 1.00 61.34 H new ATOM 0 HG22 VAL A 574 13.664 -5.216 4.451 1.00 61.34 H new ATOM 0 HG23 VAL A 574 11.935 -5.214 4.031 1.00 61.34 H new ATOM 847 N ASP A 575 12.889 -1.018 6.866 1.00 15.02 N ATOM 848 CA ASP A 575 13.124 0.359 7.264 1.00 11.43 C ATOM 849 C ASP A 575 14.460 0.781 6.664 1.00 24.21 C ATOM 850 O ASP A 575 15.513 0.357 7.153 1.00 31.44 O ATOM 851 CB ASP A 575 13.139 0.449 8.792 1.00 22.12 C ATOM 852 CG ASP A 575 13.285 1.877 9.300 1.00 23.55 C ATOM 853 OD1 ASP A 575 12.920 2.823 8.571 1.00 21.20 O ATOM 854 OD2 ASP A 575 13.625 2.012 10.500 1.00 3.13 O ATOM 0 H ASP A 575 13.038 -1.693 7.616 1.00 15.02 H new ATOM 0 HA ASP A 575 12.338 1.023 6.905 1.00 11.43 H new ATOM 0 HB2 ASP A 575 12.217 0.021 9.185 1.00 22.12 H new ATOM 0 HB3 ASP A 575 13.960 -0.155 9.178 1.00 22.12 H new ATOM 859 N TYR A 576 14.431 1.502 5.543 1.00 22.53 N ATOM 860 CA TYR A 576 15.605 2.091 4.919 1.00 41.43 C ATOM 861 C TYR A 576 15.140 3.330 4.161 1.00 64.14 C ATOM 862 O TYR A 576 14.580 3.228 3.067 1.00 71.11 O ATOM 863 CB TYR A 576 16.320 1.088 4.002 1.00 25.30 C ATOM 864 CG TYR A 576 17.434 1.706 3.169 1.00 3.13 C ATOM 865 CD1 TYR A 576 18.756 1.782 3.649 1.00 44.14 C ATOM 866 CD2 TYR A 576 17.139 2.193 1.885 1.00 20.30 C ATOM 867 CE1 TYR A 576 19.775 2.340 2.848 1.00 52.15 C ATOM 868 CE2 TYR A 576 18.141 2.773 1.093 1.00 40.05 C ATOM 869 CZ TYR A 576 19.468 2.840 1.560 1.00 33.35 C ATOM 870 OH TYR A 576 20.413 3.369 0.731 1.00 14.51 O ATOM 0 H TYR A 576 13.567 1.694 5.035 1.00 22.53 H new ATOM 0 HA TYR A 576 16.339 2.370 5.674 1.00 41.43 H new ATOM 0 HB2 TYR A 576 16.736 0.285 4.611 1.00 25.30 H new ATOM 0 HB3 TYR A 576 15.588 0.634 3.334 1.00 25.30 H new ATOM 0 HD1 TYR A 576 18.991 1.411 4.636 1.00 44.14 H new ATOM 0 HD2 TYR A 576 16.131 2.120 1.504 1.00 20.30 H new ATOM 0 HE1 TYR A 576 20.789 2.386 3.218 1.00 52.15 H new ATOM 0 HE2 TYR A 576 17.893 3.170 0.120 1.00 40.05 H new ATOM 0 HH TYR A 576 19.991 3.653 -0.107 1.00 14.51 H new ATOM 880 N GLY A 577 15.351 4.510 4.742 1.00 60.25 N ATOM 881 CA GLY A 577 14.920 5.771 4.160 1.00 72.24 C ATOM 882 C GLY A 577 13.424 5.953 4.367 1.00 44.44 C ATOM 883 O GLY A 577 13.007 6.802 5.149 1.00 41.24 O ATOM 0 H GLY A 577 15.830 4.614 5.637 1.00 60.25 H new ATOM 0 HA2 GLY A 577 15.463 6.597 4.619 1.00 72.24 H new ATOM 0 HA3 GLY A 577 15.153 5.789 3.095 1.00 72.24 H new ATOM 887 N VAL A 578 12.617 5.140 3.698 1.00 61.21 N ATOM 888 CA VAL A 578 11.180 5.047 3.881 1.00 43.41 C ATOM 889 C VAL A 578 10.928 3.698 4.546 1.00 14.35 C ATOM 890 O VAL A 578 11.673 2.729 4.377 1.00 34.43 O ATOM 891 CB VAL A 578 10.514 5.270 2.506 1.00 4.44 C ATOM 892 CG1 VAL A 578 9.055 4.819 2.391 1.00 62.14 C ATOM 893 CG2 VAL A 578 10.574 6.763 2.147 1.00 0.33 C ATOM 0 H VAL A 578 12.964 4.501 2.983 1.00 61.21 H new ATOM 0 HA VAL A 578 10.740 5.804 4.531 1.00 43.41 H new ATOM 0 HB VAL A 578 11.083 4.642 1.820 1.00 4.44 H new ATOM 0 HG11 VAL A 578 8.689 5.023 1.385 1.00 62.14 H new ATOM 0 HG12 VAL A 578 8.988 3.750 2.592 1.00 62.14 H new ATOM 0 HG13 VAL A 578 8.448 5.363 3.115 1.00 62.14 H new ATOM 0 HG21 VAL A 578 10.104 6.923 1.176 1.00 0.33 H new ATOM 0 HG22 VAL A 578 10.046 7.341 2.905 1.00 0.33 H new ATOM 0 HG23 VAL A 578 11.614 7.085 2.104 1.00 0.33 H new ATOM 903 N ARG A 579 9.897 3.670 5.383 1.00 64.32 N ATOM 904 CA ARG A 579 9.545 2.543 6.218 1.00 64.13 C ATOM 905 C ARG A 579 8.729 1.570 5.365 1.00 63.22 C ATOM 906 O ARG A 579 7.496 1.596 5.393 1.00 40.21 O ATOM 907 CB ARG A 579 8.838 3.143 7.441 1.00 11.41 C ATOM 908 CG ARG A 579 8.570 2.117 8.542 1.00 31.30 C ATOM 909 CD ARG A 579 8.033 2.810 9.803 1.00 0.15 C ATOM 910 NE ARG A 579 8.000 1.893 10.954 1.00 11.41 N ATOM 911 CZ ARG A 579 9.025 1.592 11.759 1.00 60.23 C ATOM 912 NH1 ARG A 579 10.227 2.148 11.634 1.00 52.04 N ATOM 913 NH2 ARG A 579 8.849 0.684 12.704 1.00 71.21 N ATOM 0 H ARG A 579 9.265 4.463 5.498 1.00 64.32 H new ATOM 0 HA ARG A 579 10.379 1.950 6.594 1.00 64.13 H new ATOM 0 HB2 ARG A 579 9.448 3.951 7.846 1.00 11.41 H new ATOM 0 HB3 ARG A 579 7.893 3.585 7.126 1.00 11.41 H new ATOM 0 HG2 ARG A 579 7.850 1.378 8.191 1.00 31.30 H new ATOM 0 HG3 ARG A 579 9.489 1.580 8.778 1.00 31.30 H new ATOM 0 HD2 ARG A 579 8.659 3.670 10.040 1.00 0.15 H new ATOM 0 HD3 ARG A 579 7.029 3.189 9.611 1.00 0.15 H new ATOM 0 HE ARG A 579 7.108 1.443 11.158 1.00 11.41 H new ATOM 0 HH11 ARG A 579 10.397 2.836 10.900 1.00 52.04 H new ATOM 0 HH12 ARG A 579 10.979 1.887 12.272 1.00 52.04 H new ATOM 0 HH21 ARG A 579 7.943 0.226 12.809 1.00 71.21 H new ATOM 0 HH22 ARG A 579 9.619 0.441 13.328 1.00 71.21 H new ATOM 927 N PHE A 580 9.401 0.786 4.523 1.00 43.34 N ATOM 928 CA PHE A 580 8.735 -0.069 3.551 1.00 15.10 C ATOM 929 C PHE A 580 8.164 -1.335 4.213 1.00 43.02 C ATOM 930 O PHE A 580 8.603 -1.736 5.297 1.00 41.02 O ATOM 931 CB PHE A 580 9.710 -0.413 2.413 1.00 1.20 C ATOM 932 CG PHE A 580 10.173 0.772 1.578 1.00 54.12 C ATOM 933 CD1 PHE A 580 9.232 1.495 0.825 1.00 72.42 C ATOM 934 CD2 PHE A 580 11.529 1.152 1.525 1.00 31.12 C ATOM 935 CE1 PHE A 580 9.629 2.546 -0.010 1.00 52.12 C ATOM 936 CE2 PHE A 580 11.935 2.204 0.681 1.00 22.54 C ATOM 937 CZ PHE A 580 10.987 2.890 -0.098 1.00 52.32 C ATOM 0 H PHE A 580 10.419 0.728 4.498 1.00 43.34 H new ATOM 0 HA PHE A 580 7.887 0.471 3.130 1.00 15.10 H new ATOM 0 HB2 PHE A 580 10.586 -0.900 2.841 1.00 1.20 H new ATOM 0 HB3 PHE A 580 9.233 -1.138 1.753 1.00 1.20 H new ATOM 0 HD1 PHE A 580 8.186 1.236 0.892 1.00 72.42 H new ATOM 0 HD2 PHE A 580 12.258 0.636 2.132 1.00 31.12 H new ATOM 0 HE1 PHE A 580 8.894 3.090 -0.584 1.00 52.12 H new ATOM 0 HE2 PHE A 580 12.977 2.484 0.632 1.00 22.54 H new ATOM 0 HZ PHE A 580 11.303 3.680 -0.763 1.00 52.32 H new ATOM 947 N PHE A 581 7.220 -1.994 3.525 1.00 73.23 N ATOM 948 CA PHE A 581 6.757 -3.350 3.822 1.00 53.14 C ATOM 949 C PHE A 581 6.525 -4.124 2.515 1.00 54.02 C ATOM 950 O PHE A 581 5.434 -4.102 1.935 1.00 4.23 O ATOM 951 CB PHE A 581 5.517 -3.308 4.720 1.00 12.54 C ATOM 952 CG PHE A 581 5.038 -4.666 5.191 1.00 51.32 C ATOM 953 CD1 PHE A 581 5.843 -5.404 6.070 1.00 71.54 C ATOM 954 CD2 PHE A 581 3.788 -5.182 4.799 1.00 64.33 C ATOM 955 CE1 PHE A 581 5.405 -6.642 6.559 1.00 22.23 C ATOM 956 CE2 PHE A 581 3.336 -6.412 5.311 1.00 44.51 C ATOM 957 CZ PHE A 581 4.156 -7.151 6.177 1.00 72.41 C ATOM 0 H PHE A 581 6.745 -1.581 2.722 1.00 73.23 H new ATOM 0 HA PHE A 581 7.525 -3.887 4.379 1.00 53.14 H new ATOM 0 HB2 PHE A 581 5.736 -2.691 5.592 1.00 12.54 H new ATOM 0 HB3 PHE A 581 4.708 -2.819 4.178 1.00 12.54 H new ATOM 0 HD1 PHE A 581 6.805 -5.017 6.372 1.00 71.54 H new ATOM 0 HD2 PHE A 581 3.174 -4.631 4.102 1.00 64.33 H new ATOM 0 HE1 PHE A 581 6.032 -7.206 7.233 1.00 22.23 H new ATOM 0 HE2 PHE A 581 2.360 -6.786 5.038 1.00 44.51 H new ATOM 0 HZ PHE A 581 3.826 -8.110 6.548 1.00 72.41 H new ATOM 967 N PHE A 582 7.568 -4.767 2.001 1.00 41.02 N ATOM 968 CA PHE A 582 7.528 -5.580 0.803 1.00 63.21 C ATOM 969 C PHE A 582 6.786 -6.872 1.128 1.00 74.43 C ATOM 970 O PHE A 582 7.035 -7.479 2.176 1.00 62.11 O ATOM 971 CB PHE A 582 8.954 -5.890 0.337 1.00 24.31 C ATOM 972 CG PHE A 582 9.793 -4.694 -0.078 1.00 40.42 C ATOM 973 CD1 PHE A 582 9.404 -3.908 -1.177 1.00 34.42 C ATOM 974 CD2 PHE A 582 10.965 -4.361 0.625 1.00 3.15 C ATOM 975 CE1 PHE A 582 10.123 -2.744 -1.504 1.00 55.41 C ATOM 976 CE2 PHE A 582 11.679 -3.192 0.308 1.00 13.05 C ATOM 977 CZ PHE A 582 11.242 -2.368 -0.742 1.00 42.03 C ATOM 0 H PHE A 582 8.494 -4.732 2.426 1.00 41.02 H new ATOM 0 HA PHE A 582 7.014 -5.049 0.002 1.00 63.21 H new ATOM 0 HB2 PHE A 582 9.473 -6.411 1.142 1.00 24.31 H new ATOM 0 HB3 PHE A 582 8.898 -6.579 -0.505 1.00 24.31 H new ATOM 0 HD1 PHE A 582 8.551 -4.199 -1.772 1.00 34.42 H new ATOM 0 HD2 PHE A 582 11.319 -5.008 1.414 1.00 3.15 H new ATOM 0 HE1 PHE A 582 9.814 -2.138 -2.343 1.00 55.41 H new ATOM 0 HE2 PHE A 582 12.562 -2.928 0.871 1.00 13.05 H new ATOM 0 HZ PHE A 582 11.764 -1.449 -0.963 1.00 42.03 H new ATOM 987 N TYR A 583 5.898 -7.309 0.234 1.00 4.12 N ATOM 988 CA TYR A 583 5.149 -8.541 0.427 1.00 42.33 C ATOM 989 C TYR A 583 4.910 -9.300 -0.871 1.00 5.21 C ATOM 990 O TYR A 583 4.954 -8.735 -1.970 1.00 40.43 O ATOM 991 CB TYR A 583 3.819 -8.226 1.114 1.00 12.40 C ATOM 992 CG TYR A 583 2.795 -7.496 0.262 1.00 3.10 C ATOM 993 CD1 TYR A 583 2.755 -6.091 0.238 1.00 61.41 C ATOM 994 CD2 TYR A 583 1.855 -8.231 -0.480 1.00 75.21 C ATOM 995 CE1 TYR A 583 1.744 -5.426 -0.477 1.00 15.31 C ATOM 996 CE2 TYR A 583 0.863 -7.579 -1.229 1.00 41.42 C ATOM 997 CZ TYR A 583 0.786 -6.166 -1.210 1.00 63.42 C ATOM 998 OH TYR A 583 -0.203 -5.519 -1.884 1.00 34.30 O ATOM 0 H TYR A 583 5.682 -6.821 -0.635 1.00 4.12 H new ATOM 0 HA TYR A 583 5.752 -9.194 1.058 1.00 42.33 H new ATOM 0 HB2 TYR A 583 3.378 -9.162 1.458 1.00 12.40 H new ATOM 0 HB3 TYR A 583 4.022 -7.625 2.000 1.00 12.40 H new ATOM 0 HD1 TYR A 583 3.503 -5.521 0.770 1.00 61.41 H new ATOM 0 HD2 TYR A 583 1.896 -9.310 -0.474 1.00 75.21 H new ATOM 0 HE1 TYR A 583 1.698 -4.347 -0.467 1.00 15.31 H new ATOM 0 HE2 TYR A 583 0.162 -8.153 -1.817 1.00 41.42 H new ATOM 0 HH TYR A 583 -0.775 -6.175 -2.335 1.00 34.30 H new ATOM 1008 N THR A 584 4.583 -10.578 -0.715 1.00 21.23 N ATOM 1009 CA THR A 584 4.431 -11.602 -1.736 1.00 20.50 C ATOM 1010 C THR A 584 2.951 -11.706 -2.126 1.00 54.12 C ATOM 1011 O THR A 584 2.086 -11.823 -1.255 1.00 4.33 O ATOM 1012 CB THR A 584 5.005 -12.926 -1.169 1.00 22.13 C ATOM 1013 OG1 THR A 584 5.033 -12.942 0.254 1.00 43.24 O ATOM 1014 CG2 THR A 584 6.462 -13.081 -1.612 1.00 11.11 C ATOM 0 H THR A 584 4.402 -10.955 0.215 1.00 21.23 H new ATOM 0 HA THR A 584 4.979 -11.359 -2.646 1.00 20.50 H new ATOM 0 HB THR A 584 4.359 -13.722 -1.539 1.00 22.13 H new ATOM 0 HG1 THR A 584 4.312 -13.515 0.589 1.00 43.24 H new ATOM 0 HG21 THR A 584 6.866 -14.012 -1.214 1.00 11.11 H new ATOM 0 HG22 THR A 584 6.511 -13.101 -2.701 1.00 11.11 H new ATOM 0 HG23 THR A 584 7.047 -12.241 -1.237 1.00 11.11 H new ATOM 1022 N SER A 585 2.608 -11.647 -3.419 1.00 24.10 N ATOM 1023 CA SER A 585 1.213 -11.654 -3.872 1.00 12.45 C ATOM 1024 C SER A 585 0.533 -13.010 -3.625 1.00 21.24 C ATOM 1025 O SER A 585 -0.695 -13.121 -3.704 1.00 44.03 O ATOM 1026 CB SER A 585 1.146 -11.275 -5.360 1.00 62.42 C ATOM 1027 OG SER A 585 1.863 -12.191 -6.165 1.00 3.52 O ATOM 0 H SER A 585 3.288 -11.593 -4.178 1.00 24.10 H new ATOM 0 HA SER A 585 0.667 -10.914 -3.287 1.00 12.45 H new ATOM 0 HB2 SER A 585 0.105 -11.245 -5.682 1.00 62.42 H new ATOM 0 HB3 SER A 585 1.552 -10.273 -5.499 1.00 62.42 H new ATOM 0 HG SER A 585 2.363 -11.702 -6.851 1.00 3.52 H new ATOM 1033 N LYS A 586 1.314 -14.066 -3.371 1.00 71.53 N ATOM 1034 CA LYS A 586 0.795 -15.390 -3.044 1.00 33.14 C ATOM 1035 C LYS A 586 0.183 -15.418 -1.651 1.00 45.35 C ATOM 1036 O LYS A 586 -0.682 -16.265 -1.426 1.00 0.00 O ATOM 1037 CB LYS A 586 1.907 -16.444 -3.144 1.00 41.34 C ATOM 1038 CG LYS A 586 2.309 -16.731 -4.601 1.00 14.45 C ATOM 1039 CD LYS A 586 1.677 -17.990 -5.212 1.00 43.31 C ATOM 1040 CE LYS A 586 0.152 -17.930 -5.316 1.00 74.32 C ATOM 1041 NZ LYS A 586 -0.388 -19.179 -5.888 1.00 22.11 N ATOM 0 H LYS A 586 2.333 -14.021 -3.388 1.00 71.53 H new ATOM 0 HA LYS A 586 0.013 -15.624 -3.766 1.00 33.14 H new ATOM 0 HB2 LYS A 586 2.780 -16.101 -2.589 1.00 41.34 H new ATOM 0 HB3 LYS A 586 1.572 -17.368 -2.673 1.00 41.34 H new ATOM 0 HG2 LYS A 586 2.036 -15.872 -5.214 1.00 14.45 H new ATOM 0 HG3 LYS A 586 3.394 -16.826 -4.651 1.00 14.45 H new ATOM 0 HD2 LYS A 586 2.093 -18.147 -6.207 1.00 43.31 H new ATOM 0 HD3 LYS A 586 1.957 -18.854 -4.609 1.00 43.31 H new ATOM 0 HE2 LYS A 586 -0.277 -17.763 -4.328 1.00 74.32 H new ATOM 0 HE3 LYS A 586 -0.141 -17.084 -5.938 1.00 74.32 H new ATOM 0 HZ1 LYS A 586 -1.424 -19.114 -5.948 1.00 22.11 H new ATOM 0 HZ2 LYS A 586 0.006 -19.324 -6.840 1.00 22.11 H new ATOM 0 HZ3 LYS A 586 -0.127 -19.981 -5.280 1.00 22.11 H new ATOM 1055 N GLU A 587 0.585 -14.527 -0.735 1.00 20.25 N ATOM 1056 CA GLU A 587 -0.072 -14.486 0.561 1.00 1.23 C ATOM 1057 C GLU A 587 -1.537 -14.111 0.352 1.00 0.44 C ATOM 1058 O GLU A 587 -1.812 -13.219 -0.463 1.00 14.21 O ATOM 1059 CB GLU A 587 0.548 -13.467 1.536 1.00 52.11 C ATOM 1060 CG GLU A 587 1.245 -14.155 2.714 1.00 42.23 C ATOM 1061 CD GLU A 587 2.757 -14.267 2.525 1.00 42.35 C ATOM 1062 OE1 GLU A 587 3.231 -14.388 1.376 1.00 41.14 O ATOM 1063 OE2 GLU A 587 3.466 -14.221 3.557 1.00 54.43 O ATOM 0 H GLU A 587 1.336 -13.850 -0.867 1.00 20.25 H new ATOM 0 HA GLU A 587 0.046 -15.474 1.006 1.00 1.23 H new ATOM 0 HB2 GLU A 587 1.266 -12.845 1.002 1.00 52.11 H new ATOM 0 HB3 GLU A 587 -0.231 -12.804 1.912 1.00 52.11 H new ATOM 0 HG2 GLU A 587 1.038 -13.598 3.628 1.00 42.23 H new ATOM 0 HG3 GLU A 587 0.825 -15.152 2.846 1.00 42.23 H new ATOM 1070 N PRO A 588 -2.461 -14.685 1.136 1.00 2.32 N ATOM 1071 CA PRO A 588 -3.832 -14.217 1.182 1.00 20.11 C ATOM 1072 C PRO A 588 -3.846 -12.735 1.523 1.00 75.11 C ATOM 1073 O PRO A 588 -3.135 -12.326 2.448 1.00 21.11 O ATOM 1074 CB PRO A 588 -4.540 -15.048 2.258 1.00 73.44 C ATOM 1075 CG PRO A 588 -3.596 -16.217 2.534 1.00 32.14 C ATOM 1076 CD PRO A 588 -2.226 -15.652 2.192 1.00 4.23 C ATOM 0 HA PRO A 588 -4.340 -14.334 0.225 1.00 20.11 H new ATOM 0 HB2 PRO A 588 -4.716 -14.461 3.159 1.00 73.44 H new ATOM 0 HB3 PRO A 588 -5.512 -15.398 1.911 1.00 73.44 H new ATOM 0 HG2 PRO A 588 -3.649 -16.540 3.574 1.00 32.14 H new ATOM 0 HG3 PRO A 588 -3.838 -17.083 1.918 1.00 32.14 H new ATOM 0 HD2 PRO A 588 -1.767 -15.181 3.061 1.00 4.23 H new ATOM 0 HD3 PRO A 588 -1.548 -16.439 1.861 1.00 4.23 H new ATOM 1084 N VAL A 589 -4.674 -11.952 0.822 1.00 52.11 N ATOM 1085 CA VAL A 589 -4.961 -10.564 1.194 1.00 72.41 C ATOM 1086 C VAL A 589 -5.247 -10.499 2.700 1.00 11.31 C ATOM 1087 O VAL A 589 -4.663 -9.665 3.388 1.00 11.44 O ATOM 1088 CB VAL A 589 -6.138 -10.025 0.338 1.00 44.35 C ATOM 1089 CG1 VAL A 589 -6.520 -8.568 0.646 1.00 73.34 C ATOM 1090 CG2 VAL A 589 -5.834 -10.089 -1.159 1.00 63.51 C ATOM 0 H VAL A 589 -5.163 -12.263 -0.018 1.00 52.11 H new ATOM 0 HA VAL A 589 -4.102 -9.924 0.992 1.00 72.41 H new ATOM 0 HB VAL A 589 -6.968 -10.679 0.604 1.00 44.35 H new ATOM 0 HG11 VAL A 589 -7.350 -8.266 0.007 1.00 73.34 H new ATOM 0 HG12 VAL A 589 -6.818 -8.483 1.691 1.00 73.34 H new ATOM 0 HG13 VAL A 589 -5.664 -7.920 0.459 1.00 73.34 H new ATOM 0 HG21 VAL A 589 -6.685 -9.702 -1.720 1.00 63.51 H new ATOM 0 HG22 VAL A 589 -4.952 -9.487 -1.377 1.00 63.51 H new ATOM 0 HG23 VAL A 589 -5.649 -11.123 -1.449 1.00 63.51 H new ATOM 1100 N ALA A 590 -6.045 -11.438 3.222 1.00 52.52 N ATOM 1101 CA ALA A 590 -6.349 -11.582 4.641 1.00 44.14 C ATOM 1102 C ALA A 590 -5.098 -11.611 5.531 1.00 63.13 C ATOM 1103 O ALA A 590 -4.971 -10.796 6.448 1.00 25.30 O ATOM 1104 CB ALA A 590 -7.166 -12.859 4.837 1.00 34.20 C ATOM 0 H ALA A 590 -6.510 -12.139 2.645 1.00 52.52 H new ATOM 0 HA ALA A 590 -6.917 -10.704 4.949 1.00 44.14 H new ATOM 0 HB1 ALA A 590 -7.402 -12.981 5.894 1.00 34.20 H new ATOM 0 HB2 ALA A 590 -8.091 -12.791 4.264 1.00 34.20 H new ATOM 0 HB3 ALA A 590 -6.589 -13.717 4.492 1.00 34.20 H new ATOM 1110 N SER A 591 -4.190 -12.565 5.306 1.00 44.14 N ATOM 1111 CA SER A 591 -3.002 -12.737 6.139 1.00 32.41 C ATOM 1112 C SER A 591 -2.126 -11.494 6.032 1.00 41.32 C ATOM 1113 O SER A 591 -1.660 -10.977 7.048 1.00 31.35 O ATOM 1114 CB SER A 591 -2.243 -13.991 5.693 1.00 11.20 C ATOM 1115 OG SER A 591 -1.035 -14.211 6.411 1.00 34.41 O ATOM 0 H SER A 591 -4.260 -13.237 4.542 1.00 44.14 H new ATOM 0 HA SER A 591 -3.290 -12.865 7.182 1.00 32.41 H new ATOM 0 HB2 SER A 591 -2.891 -14.859 5.813 1.00 11.20 H new ATOM 0 HB3 SER A 591 -2.014 -13.908 4.630 1.00 11.20 H new ATOM 0 HG SER A 591 -0.601 -15.025 6.080 1.00 34.41 H new ATOM 1121 N ILE A 592 -1.894 -11.007 4.811 1.00 3.41 N ATOM 1122 CA ILE A 592 -1.011 -9.886 4.585 1.00 74.42 C ATOM 1123 C ILE A 592 -1.533 -8.618 5.272 1.00 53.03 C ATOM 1124 O ILE A 592 -0.759 -7.885 5.883 1.00 41.14 O ATOM 1125 CB ILE A 592 -0.684 -9.791 3.069 1.00 22.44 C ATOM 1126 CG1 ILE A 592 0.827 -10.036 2.893 1.00 14.41 C ATOM 1127 CG2 ILE A 592 -1.127 -8.515 2.346 1.00 3.44 C ATOM 1128 CD1 ILE A 592 1.670 -8.947 3.564 1.00 60.11 C ATOM 0 H ILE A 592 -2.316 -11.384 3.962 1.00 3.41 H new ATOM 0 HA ILE A 592 -0.045 -10.032 5.069 1.00 74.42 H new ATOM 0 HB ILE A 592 -1.286 -10.558 2.581 1.00 22.44 H new ATOM 0 HG12 ILE A 592 1.088 -11.007 3.315 1.00 14.41 H new ATOM 0 HG13 ILE A 592 1.066 -10.075 1.830 1.00 14.41 H new ATOM 0 HG21 ILE A 592 -0.840 -8.573 1.296 1.00 3.44 H new ATOM 0 HG22 ILE A 592 -2.209 -8.411 2.421 1.00 3.44 H new ATOM 0 HG23 ILE A 592 -0.647 -7.651 2.806 1.00 3.44 H new ATOM 0 HD11 ILE A 592 2.728 -9.162 3.414 1.00 60.11 H new ATOM 0 HD12 ILE A 592 1.430 -7.979 3.125 1.00 60.11 H new ATOM 0 HD13 ILE A 592 1.452 -8.925 4.632 1.00 60.11 H new ATOM 1140 N ILE A 593 -2.849 -8.408 5.273 1.00 3.42 N ATOM 1141 CA ILE A 593 -3.490 -7.345 6.029 1.00 51.32 C ATOM 1142 C ILE A 593 -3.200 -7.515 7.523 1.00 40.24 C ATOM 1143 O ILE A 593 -2.705 -6.595 8.162 1.00 24.34 O ATOM 1144 CB ILE A 593 -4.992 -7.350 5.678 1.00 52.42 C ATOM 1145 CG1 ILE A 593 -5.179 -6.638 4.324 1.00 12.24 C ATOM 1146 CG2 ILE A 593 -5.871 -6.711 6.756 1.00 52.32 C ATOM 1147 CD1 ILE A 593 -6.584 -6.851 3.770 1.00 24.14 C ATOM 0 H ILE A 593 -3.504 -8.981 4.741 1.00 3.42 H new ATOM 0 HA ILE A 593 -3.092 -6.365 5.765 1.00 51.32 H new ATOM 0 HB ILE A 593 -5.319 -8.388 5.615 1.00 52.42 H new ATOM 0 HG12 ILE A 593 -4.992 -5.571 4.444 1.00 12.24 H new ATOM 0 HG13 ILE A 593 -4.445 -7.012 3.610 1.00 12.24 H new ATOM 0 HG21 ILE A 593 -6.915 -6.749 6.444 1.00 52.32 H new ATOM 0 HG22 ILE A 593 -5.752 -7.256 7.692 1.00 52.32 H new ATOM 0 HG23 ILE A 593 -5.573 -5.673 6.900 1.00 52.32 H new ATOM 0 HD11 ILE A 593 -6.680 -6.335 2.815 1.00 24.14 H new ATOM 0 HD12 ILE A 593 -6.761 -7.917 3.626 1.00 24.14 H new ATOM 0 HD13 ILE A 593 -7.316 -6.453 4.473 1.00 24.14 H new ATOM 1159 N THR A 594 -3.495 -8.681 8.088 1.00 32.14 N ATOM 1160 CA THR A 594 -3.194 -9.037 9.472 1.00 53.35 C ATOM 1161 C THR A 594 -1.755 -8.672 9.891 1.00 44.14 C ATOM 1162 O THR A 594 -1.549 -8.172 10.999 1.00 72.54 O ATOM 1163 CB THR A 594 -3.490 -10.530 9.686 1.00 15.43 C ATOM 1164 OG1 THR A 594 -4.725 -10.918 9.095 1.00 11.12 O ATOM 1165 CG2 THR A 594 -3.639 -10.826 11.178 1.00 33.53 C ATOM 0 H THR A 594 -3.966 -9.429 7.579 1.00 32.14 H new ATOM 0 HA THR A 594 -3.839 -8.444 10.120 1.00 53.35 H new ATOM 0 HB THR A 594 -2.660 -11.072 9.233 1.00 15.43 H new ATOM 0 HG1 THR A 594 -4.577 -11.158 8.156 1.00 11.12 H new ATOM 0 HG21 THR A 594 -3.849 -11.886 11.319 1.00 33.53 H new ATOM 0 HG22 THR A 594 -2.715 -10.567 11.694 1.00 33.53 H new ATOM 0 HG23 THR A 594 -4.460 -10.236 11.586 1.00 33.53 H new ATOM 1173 N LYS A 595 -0.753 -8.850 9.021 1.00 14.00 N ATOM 1174 CA LYS A 595 0.631 -8.487 9.319 1.00 33.40 C ATOM 1175 C LYS A 595 0.842 -6.975 9.428 1.00 21.40 C ATOM 1176 O LYS A 595 1.763 -6.556 10.123 1.00 13.02 O ATOM 1177 CB LYS A 595 1.535 -9.093 8.243 1.00 4.14 C ATOM 1178 CG LYS A 595 1.776 -10.587 8.504 1.00 12.44 C ATOM 1179 CD LYS A 595 1.840 -11.385 7.205 1.00 21.11 C ATOM 1180 CE LYS A 595 2.121 -12.851 7.540 1.00 41.53 C ATOM 1181 NZ LYS A 595 2.300 -13.695 6.341 1.00 11.10 N ATOM 0 H LYS A 595 -0.883 -9.250 8.092 1.00 14.00 H new ATOM 0 HA LYS A 595 0.887 -8.890 10.299 1.00 33.40 H new ATOM 0 HB2 LYS A 595 1.078 -8.961 7.262 1.00 4.14 H new ATOM 0 HB3 LYS A 595 2.488 -8.565 8.224 1.00 4.14 H new ATOM 0 HG2 LYS A 595 2.708 -10.714 9.055 1.00 12.44 H new ATOM 0 HG3 LYS A 595 0.977 -10.980 9.133 1.00 12.44 H new ATOM 0 HD2 LYS A 595 0.900 -11.296 6.661 1.00 21.11 H new ATOM 0 HD3 LYS A 595 2.622 -10.989 6.557 1.00 21.11 H new ATOM 0 HE2 LYS A 595 3.018 -12.911 8.157 1.00 41.53 H new ATOM 0 HE3 LYS A 595 1.298 -13.246 8.135 1.00 41.53 H new ATOM 0 HZ1 LYS A 595 2.487 -14.676 6.632 1.00 11.10 H new ATOM 0 HZ2 LYS A 595 1.436 -13.664 5.763 1.00 11.10 H new ATOM 0 HZ3 LYS A 595 3.103 -13.340 5.783 1.00 11.10 H new ATOM 1195 N LEU A 596 0.005 -6.155 8.795 1.00 20.33 N ATOM 1196 CA LEU A 596 -0.026 -4.711 9.012 1.00 13.15 C ATOM 1197 C LEU A 596 -0.814 -4.404 10.291 1.00 43.53 C ATOM 1198 O LEU A 596 -0.444 -3.511 11.051 1.00 21.40 O ATOM 1199 CB LEU A 596 -0.665 -4.009 7.801 1.00 14.32 C ATOM 1200 CG LEU A 596 0.130 -4.173 6.489 1.00 44.01 C ATOM 1201 CD1 LEU A 596 -0.785 -3.913 5.286 1.00 34.43 C ATOM 1202 CD2 LEU A 596 1.330 -3.221 6.457 1.00 13.04 C ATOM 0 H LEU A 596 -0.678 -6.479 8.110 1.00 20.33 H new ATOM 0 HA LEU A 596 0.992 -4.339 9.126 1.00 13.15 H new ATOM 0 HB2 LEU A 596 -1.671 -4.402 7.656 1.00 14.32 H new ATOM 0 HB3 LEU A 596 -0.767 -2.946 8.022 1.00 14.32 H new ATOM 0 HG LEU A 596 0.505 -5.195 6.438 1.00 44.01 H new ATOM 0 HD11 LEU A 596 -0.216 -4.031 4.364 1.00 34.43 H new ATOM 0 HD12 LEU A 596 -1.611 -4.625 5.296 1.00 34.43 H new ATOM 0 HD13 LEU A 596 -1.180 -2.898 5.342 1.00 34.43 H new ATOM 0 HD21 LEU A 596 1.876 -3.354 5.523 1.00 13.04 H new ATOM 0 HD22 LEU A 596 0.980 -2.191 6.529 1.00 13.04 H new ATOM 0 HD23 LEU A 596 1.990 -3.439 7.297 1.00 13.04 H new ATOM 1214 N ASN A 597 -1.896 -5.142 10.556 1.00 11.22 N ATOM 1215 CA ASN A 597 -2.766 -4.921 11.716 1.00 44.25 C ATOM 1216 C ASN A 597 -2.003 -5.131 13.015 1.00 14.03 C ATOM 1217 O ASN A 597 -2.235 -4.386 13.965 1.00 11.44 O ATOM 1218 CB ASN A 597 -3.977 -5.867 11.717 1.00 44.41 C ATOM 1219 CG ASN A 597 -4.880 -5.692 10.528 1.00 34.43 C ATOM 1220 OD1 ASN A 597 -4.839 -4.676 9.852 1.00 21.42 O ATOM 1221 ND2 ASN A 597 -5.751 -6.649 10.284 1.00 41.04 N ATOM 0 H ASN A 597 -2.196 -5.918 9.965 1.00 11.22 H new ATOM 0 HA ASN A 597 -3.115 -3.891 11.643 1.00 44.25 H new ATOM 0 HB2 ASN A 597 -3.622 -6.897 11.744 1.00 44.41 H new ATOM 0 HB3 ASN A 597 -4.554 -5.704 12.627 1.00 44.41 H new ATOM 0 HD21 ASN A 597 -6.413 -6.552 9.514 1.00 41.04 H new ATOM 0 HD22 ASN A 597 -5.763 -7.488 10.865 1.00 41.04 H new ATOM 1228 N SER A 598 -1.121 -6.134 13.065 1.00 60.14 N ATOM 1229 CA SER A 598 -0.279 -6.427 14.219 1.00 51.14 C ATOM 1230 C SER A 598 0.555 -5.205 14.589 1.00 11.04 C ATOM 1231 O SER A 598 0.707 -4.878 15.763 1.00 12.30 O ATOM 1232 CB SER A 598 0.605 -7.647 13.914 1.00 42.11 C ATOM 1233 OG SER A 598 1.508 -7.428 12.849 1.00 23.42 O ATOM 0 H SER A 598 -0.973 -6.776 12.286 1.00 60.14 H new ATOM 0 HA SER A 598 -0.905 -6.667 15.078 1.00 51.14 H new ATOM 0 HB2 SER A 598 1.167 -7.913 14.809 1.00 42.11 H new ATOM 0 HB3 SER A 598 -0.032 -8.498 13.673 1.00 42.11 H new ATOM 0 HG SER A 598 1.026 -7.050 12.084 1.00 23.42 H new ATOM 1239 N LEU A 599 1.137 -4.565 13.576 1.00 22.11 N ATOM 1240 CA LEU A 599 2.006 -3.408 13.709 1.00 42.33 C ATOM 1241 C LEU A 599 1.198 -2.185 14.121 1.00 55.44 C ATOM 1242 O LEU A 599 1.698 -1.326 14.848 1.00 31.13 O ATOM 1243 CB LEU A 599 2.697 -3.154 12.363 1.00 3.44 C ATOM 1244 CG LEU A 599 3.596 -4.319 11.919 1.00 21.55 C ATOM 1245 CD1 LEU A 599 4.026 -4.102 10.468 1.00 73.22 C ATOM 1246 CD2 LEU A 599 4.838 -4.378 12.808 1.00 31.31 C ATOM 0 H LEU A 599 1.008 -4.853 12.606 1.00 22.11 H new ATOM 0 HA LEU A 599 2.754 -3.598 14.479 1.00 42.33 H new ATOM 0 HB2 LEU A 599 1.939 -2.976 11.600 1.00 3.44 H new ATOM 0 HB3 LEU A 599 3.297 -2.247 12.434 1.00 3.44 H new ATOM 0 HG LEU A 599 3.043 -5.255 12.004 1.00 21.55 H new ATOM 0 HD11 LEU A 599 4.664 -4.927 10.150 1.00 73.22 H new ATOM 0 HD12 LEU A 599 3.144 -4.059 9.830 1.00 73.22 H new ATOM 0 HD13 LEU A 599 4.578 -3.165 10.388 1.00 73.22 H new ATOM 0 HD21 LEU A 599 5.473 -5.205 12.491 1.00 31.31 H new ATOM 0 HD22 LEU A 599 5.391 -3.442 12.723 1.00 31.31 H new ATOM 0 HD23 LEU A 599 4.537 -4.529 13.845 1.00 31.31 H new ATOM 1258 N ASN A 600 -0.057 -2.118 13.659 1.00 3.22 N ATOM 1259 CA ASN A 600 -1.027 -1.063 13.941 1.00 14.24 C ATOM 1260 C ASN A 600 -0.575 0.284 13.369 1.00 41.32 C ATOM 1261 O ASN A 600 -1.129 1.326 13.717 1.00 32.44 O ATOM 1262 CB ASN A 600 -1.337 -1.030 15.456 1.00 33.52 C ATOM 1263 CG ASN A 600 -2.776 -0.664 15.793 1.00 51.23 C ATOM 1264 OD1 ASN A 600 -3.506 -0.052 15.016 1.00 21.40 O ATOM 1265 ND2 ASN A 600 -3.241 -1.021 16.980 1.00 1.05 N ATOM 0 H ASN A 600 -0.439 -2.839 13.046 1.00 3.22 H new ATOM 0 HA ASN A 600 -1.965 -1.284 13.431 1.00 14.24 H new ATOM 0 HB2 ASN A 600 -1.114 -2.008 15.882 1.00 33.52 H new ATOM 0 HB3 ASN A 600 -0.670 -0.314 15.936 1.00 33.52 H new ATOM 0 HD21 ASN A 600 -4.198 -0.788 17.244 1.00 1.05 H new ATOM 0 HD22 ASN A 600 -2.642 -1.529 17.631 1.00 1.05 H new ATOM 1272 N GLU A 601 0.448 0.273 12.508 1.00 74.54 N ATOM 1273 CA GLU A 601 1.091 1.477 12.009 1.00 53.01 C ATOM 1274 C GLU A 601 0.236 2.101 10.902 1.00 21.15 C ATOM 1275 O GLU A 601 -0.356 1.369 10.105 1.00 74.22 O ATOM 1276 CB GLU A 601 2.484 1.173 11.443 1.00 63.33 C ATOM 1277 CG GLU A 601 3.465 0.710 12.525 1.00 60.13 C ATOM 1278 CD GLU A 601 4.551 1.722 12.879 1.00 43.31 C ATOM 1279 OE1 GLU A 601 4.243 2.856 13.297 1.00 13.13 O ATOM 1280 OE2 GLU A 601 5.741 1.324 12.896 1.00 42.23 O ATOM 0 H GLU A 601 0.852 -0.587 12.138 1.00 74.54 H new ATOM 0 HA GLU A 601 1.194 2.169 12.845 1.00 53.01 H new ATOM 0 HB2 GLU A 601 2.402 0.402 10.677 1.00 63.33 H new ATOM 0 HB3 GLU A 601 2.878 2.065 10.956 1.00 63.33 H new ATOM 0 HG2 GLU A 601 2.902 0.471 13.428 1.00 60.13 H new ATOM 0 HG3 GLU A 601 3.942 -0.212 12.193 1.00 60.13 H new ATOM 1287 N PRO A 602 0.197 3.434 10.797 1.00 2.45 N ATOM 1288 CA PRO A 602 -0.492 4.110 9.716 1.00 54.05 C ATOM 1289 C PRO A 602 0.250 3.924 8.386 1.00 22.44 C ATOM 1290 O PRO A 602 1.485 3.955 8.350 1.00 63.23 O ATOM 1291 CB PRO A 602 -0.574 5.581 10.124 1.00 23.33 C ATOM 1292 CG PRO A 602 0.536 5.748 11.152 1.00 44.11 C ATOM 1293 CD PRO A 602 0.787 4.369 11.733 1.00 31.53 C ATOM 0 HA PRO A 602 -1.488 3.698 9.555 1.00 54.05 H new ATOM 0 HB2 PRO A 602 -0.426 6.240 9.268 1.00 23.33 H new ATOM 0 HB3 PRO A 602 -1.549 5.823 10.548 1.00 23.33 H new ATOM 0 HG2 PRO A 602 1.439 6.145 10.689 1.00 44.11 H new ATOM 0 HG3 PRO A 602 0.242 6.451 11.931 1.00 44.11 H new ATOM 0 HD2 PRO A 602 1.854 4.183 11.852 1.00 31.53 H new ATOM 0 HD3 PRO A 602 0.335 4.272 12.720 1.00 31.53 H new ATOM 1301 N LEU A 603 -0.498 3.792 7.281 1.00 32.21 N ATOM 1302 CA LEU A 603 0.054 3.425 5.968 1.00 13.55 C ATOM 1303 C LEU A 603 -0.322 4.431 4.876 1.00 24.42 C ATOM 1304 O LEU A 603 -1.209 5.271 5.048 1.00 13.14 O ATOM 1305 CB LEU A 603 -0.387 2.019 5.491 1.00 31.24 C ATOM 1306 CG LEU A 603 -0.631 0.941 6.566 1.00 33.34 C ATOM 1307 CD1 LEU A 603 -1.321 -0.256 5.908 1.00 2.50 C ATOM 1308 CD2 LEU A 603 0.654 0.482 7.244 1.00 32.22 C ATOM 0 H LEU A 603 -1.508 3.937 7.273 1.00 32.21 H new ATOM 0 HA LEU A 603 1.133 3.427 6.121 1.00 13.55 H new ATOM 0 HB2 LEU A 603 -1.306 2.133 4.916 1.00 31.24 H new ATOM 0 HB3 LEU A 603 0.373 1.644 4.806 1.00 31.24 H new ATOM 0 HG LEU A 603 -1.258 1.379 7.343 1.00 33.34 H new ATOM 0 HD11 LEU A 603 -1.501 -1.028 6.656 1.00 2.50 H new ATOM 0 HD12 LEU A 603 -2.271 0.062 5.479 1.00 2.50 H new ATOM 0 HD13 LEU A 603 -0.683 -0.656 5.120 1.00 2.50 H new ATOM 0 HD21 LEU A 603 0.420 -0.277 7.991 1.00 32.22 H new ATOM 0 HD22 LEU A 603 1.329 0.062 6.498 1.00 32.22 H new ATOM 0 HD23 LEU A 603 1.134 1.332 7.729 1.00 32.22 H new ATOM 1320 N VAL A 604 0.270 4.255 3.697 1.00 55.53 N ATOM 1321 CA VAL A 604 -0.148 4.824 2.421 1.00 53.23 C ATOM 1322 C VAL A 604 0.182 3.764 1.357 1.00 25.53 C ATOM 1323 O VAL A 604 1.321 3.303 1.324 1.00 62.31 O ATOM 1324 CB VAL A 604 0.578 6.178 2.206 1.00 52.32 C ATOM 1325 CG1 VAL A 604 2.101 6.164 2.448 1.00 22.32 C ATOM 1326 CG2 VAL A 604 0.327 6.750 0.806 1.00 62.14 C ATOM 0 H VAL A 604 1.105 3.676 3.603 1.00 55.53 H new ATOM 0 HA VAL A 604 -1.213 5.051 2.372 1.00 53.23 H new ATOM 0 HB VAL A 604 0.135 6.811 2.975 1.00 52.32 H new ATOM 0 HG11 VAL A 604 2.507 7.160 2.270 1.00 22.32 H new ATOM 0 HG12 VAL A 604 2.303 5.869 3.478 1.00 22.32 H new ATOM 0 HG13 VAL A 604 2.571 5.454 1.768 1.00 22.32 H new ATOM 0 HG21 VAL A 604 0.854 7.698 0.700 1.00 62.14 H new ATOM 0 HG22 VAL A 604 0.690 6.047 0.056 1.00 62.14 H new ATOM 0 HG23 VAL A 604 -0.742 6.912 0.665 1.00 62.14 H new ATOM 1336 N THR A 605 -0.777 3.332 0.529 1.00 24.33 N ATOM 1337 CA THR A 605 -0.521 2.479 -0.642 1.00 2.32 C ATOM 1338 C THR A 605 -1.752 2.473 -1.573 1.00 11.10 C ATOM 1339 O THR A 605 -2.686 3.236 -1.341 1.00 2.04 O ATOM 1340 CB THR A 605 -0.068 1.072 -0.184 1.00 61.33 C ATOM 1341 OG1 THR A 605 0.584 0.391 -1.249 1.00 23.53 O ATOM 1342 CG2 THR A 605 -1.196 0.228 0.422 1.00 33.43 C ATOM 0 H THR A 605 -1.762 3.566 0.653 1.00 24.33 H new ATOM 0 HA THR A 605 0.301 2.882 -1.234 1.00 2.32 H new ATOM 0 HB THR A 605 0.644 1.222 0.628 1.00 61.33 H new ATOM 0 HG1 THR A 605 1.434 0.022 -0.930 1.00 23.53 H new ATOM 0 HG21 THR A 605 -0.803 -0.744 0.720 1.00 33.43 H new ATOM 0 HG22 THR A 605 -1.603 0.738 1.295 1.00 33.43 H new ATOM 0 HG23 THR A 605 -1.985 0.090 -0.318 1.00 33.43 H new ATOM 1350 N MET A 606 -1.778 1.645 -2.627 1.00 61.52 N ATOM 1351 CA MET A 606 -2.996 1.302 -3.384 1.00 40.21 C ATOM 1352 C MET A 606 -3.582 -0.015 -2.818 1.00 45.51 C ATOM 1353 O MET A 606 -2.884 -0.690 -2.057 1.00 25.45 O ATOM 1354 CB MET A 606 -2.698 1.252 -4.897 1.00 74.15 C ATOM 1355 CG MET A 606 -1.921 0.010 -5.288 1.00 61.14 C ATOM 1356 SD MET A 606 -1.846 -0.268 -7.069 1.00 44.15 S ATOM 1357 CE MET A 606 -0.053 -0.338 -7.237 1.00 43.04 C ATOM 0 H MET A 606 -0.941 1.186 -2.985 1.00 61.52 H new ATOM 0 HA MET A 606 -3.756 2.074 -3.263 1.00 40.21 H new ATOM 0 HB2 MET A 606 -3.636 1.281 -5.451 1.00 74.15 H new ATOM 0 HB3 MET A 606 -2.131 2.138 -5.183 1.00 74.15 H new ATOM 0 HG2 MET A 606 -0.906 0.090 -4.899 1.00 61.14 H new ATOM 0 HG3 MET A 606 -2.378 -0.858 -4.813 1.00 61.14 H new ATOM 0 HE1 MET A 606 0.208 -0.506 -8.282 1.00 43.04 H new ATOM 0 HE2 MET A 606 0.381 0.604 -6.902 1.00 43.04 H new ATOM 0 HE3 MET A 606 0.338 -1.154 -6.629 1.00 43.04 H new ATOM 1367 N PRO A 607 -4.820 -0.434 -3.152 1.00 20.42 N ATOM 1368 CA PRO A 607 -5.498 -1.498 -2.425 1.00 55.55 C ATOM 1369 C PRO A 607 -4.741 -2.828 -2.539 1.00 23.40 C ATOM 1370 O PRO A 607 -4.152 -3.170 -3.570 1.00 15.55 O ATOM 1371 CB PRO A 607 -6.938 -1.563 -2.956 1.00 12.41 C ATOM 1372 CG PRO A 607 -7.079 -0.378 -3.913 1.00 5.42 C ATOM 1373 CD PRO A 607 -5.640 -0.013 -4.269 1.00 60.45 C ATOM 0 HA PRO A 607 -5.523 -1.291 -1.355 1.00 55.55 H new ATOM 0 HB2 PRO A 607 -7.124 -2.506 -3.470 1.00 12.41 H new ATOM 0 HB3 PRO A 607 -7.659 -1.497 -2.141 1.00 12.41 H new ATOM 0 HG2 PRO A 607 -7.653 -0.648 -4.800 1.00 5.42 H new ATOM 0 HG3 PRO A 607 -7.597 0.457 -3.440 1.00 5.42 H new ATOM 0 HD2 PRO A 607 -5.329 -0.511 -5.187 1.00 60.45 H new ATOM 0 HD3 PRO A 607 -5.543 1.059 -4.439 1.00 60.45 H new ATOM 1381 N ILE A 608 -4.704 -3.554 -1.425 1.00 53.45 N ATOM 1382 CA ILE A 608 -3.767 -4.645 -1.177 1.00 23.13 C ATOM 1383 C ILE A 608 -4.165 -5.904 -1.935 1.00 22.25 C ATOM 1384 O ILE A 608 -3.307 -6.610 -2.478 1.00 40.35 O ATOM 1385 CB ILE A 608 -3.721 -4.859 0.358 1.00 12.15 C ATOM 1386 CG1 ILE A 608 -3.174 -3.635 1.130 1.00 2.51 C ATOM 1387 CG2 ILE A 608 -2.977 -6.138 0.774 1.00 25.15 C ATOM 1388 CD1 ILE A 608 -1.653 -3.443 1.066 1.00 20.32 C ATOM 0 H ILE A 608 -5.344 -3.394 -0.647 1.00 53.45 H new ATOM 0 HA ILE A 608 -2.771 -4.397 -1.544 1.00 23.13 H new ATOM 0 HB ILE A 608 -4.766 -4.985 0.643 1.00 12.15 H new ATOM 0 HG12 ILE A 608 -3.653 -2.737 0.740 1.00 2.51 H new ATOM 0 HG13 ILE A 608 -3.468 -3.725 2.176 1.00 2.51 H new ATOM 0 HG21 ILE A 608 -2.983 -6.225 1.860 1.00 25.15 H new ATOM 0 HG22 ILE A 608 -3.472 -7.005 0.338 1.00 25.15 H new ATOM 0 HG23 ILE A 608 -1.947 -6.092 0.419 1.00 25.15 H new ATOM 0 HD11 ILE A 608 -1.373 -2.559 1.639 1.00 20.32 H new ATOM 0 HD12 ILE A 608 -1.158 -4.319 1.486 1.00 20.32 H new ATOM 0 HD13 ILE A 608 -1.346 -3.315 0.028 1.00 20.32 H new ATOM 1400 N GLY A 609 -5.463 -6.178 -1.981 1.00 11.04 N ATOM 1401 CA GLY A 609 -6.041 -7.189 -2.822 1.00 23.13 C ATOM 1402 C GLY A 609 -6.733 -6.474 -3.944 1.00 23.42 C ATOM 1403 O GLY A 609 -7.921 -6.296 -3.870 1.00 54.15 O ATOM 0 H GLY A 609 -6.152 -5.683 -1.414 1.00 11.04 H new ATOM 0 HA2 GLY A 609 -5.272 -7.859 -3.206 1.00 23.13 H new ATOM 0 HA3 GLY A 609 -6.746 -7.802 -2.261 1.00 23.13 H new ATOM 1407 N TYR A 610 -6.012 -6.017 -4.945 1.00 43.02 N ATOM 1408 CA TYR A 610 -6.574 -5.478 -6.190 1.00 20.31 C ATOM 1409 C TYR A 610 -5.942 -6.273 -7.321 1.00 2.00 C ATOM 1410 O TYR A 610 -5.765 -7.472 -7.166 1.00 62.12 O ATOM 1411 CB TYR A 610 -6.385 -3.960 -6.239 1.00 60.44 C ATOM 1412 CG TYR A 610 -7.104 -3.242 -7.369 1.00 12.31 C ATOM 1413 CD1 TYR A 610 -8.370 -3.662 -7.845 1.00 60.32 C ATOM 1414 CD2 TYR A 610 -6.480 -2.124 -7.955 1.00 44.23 C ATOM 1415 CE1 TYR A 610 -8.983 -2.968 -8.892 1.00 14.03 C ATOM 1416 CE2 TYR A 610 -7.099 -1.431 -9.008 1.00 40.11 C ATOM 1417 CZ TYR A 610 -8.356 -1.857 -9.487 1.00 73.34 C ATOM 1418 OH TYR A 610 -8.977 -1.214 -10.509 1.00 2.32 O ATOM 0 H TYR A 610 -4.992 -6.004 -4.927 1.00 43.02 H new ATOM 0 HA TYR A 610 -7.654 -5.597 -6.274 1.00 20.31 H new ATOM 0 HB2 TYR A 610 -6.724 -3.539 -5.292 1.00 60.44 H new ATOM 0 HB3 TYR A 610 -5.319 -3.748 -6.319 1.00 60.44 H new ATOM 0 HD1 TYR A 610 -8.860 -4.516 -7.401 1.00 60.32 H new ATOM 0 HD2 TYR A 610 -5.517 -1.797 -7.592 1.00 44.23 H new ATOM 0 HE1 TYR A 610 -9.951 -3.288 -9.249 1.00 14.03 H new ATOM 0 HE2 TYR A 610 -6.614 -0.574 -9.450 1.00 40.11 H new ATOM 0 HH TYR A 610 -8.419 -0.468 -10.813 1.00 2.32 H new ATOM 1428 N VAL A 611 -5.585 -5.656 -8.437 1.00 62.11 N ATOM 1429 CA VAL A 611 -4.757 -6.194 -9.515 1.00 24.10 C ATOM 1430 C VAL A 611 -3.608 -7.066 -8.968 1.00 2.01 C ATOM 1431 O VAL A 611 -3.375 -8.160 -9.476 1.00 42.23 O ATOM 1432 CB VAL A 611 -4.240 -5.000 -10.347 1.00 52.04 C ATOM 1433 CG1 VAL A 611 -3.259 -5.387 -11.460 1.00 14.30 C ATOM 1434 CG2 VAL A 611 -5.388 -4.200 -10.983 1.00 15.22 C ATOM 0 H VAL A 611 -5.885 -4.700 -8.630 1.00 62.11 H new ATOM 0 HA VAL A 611 -5.346 -6.855 -10.150 1.00 24.10 H new ATOM 0 HB VAL A 611 -3.705 -4.389 -9.620 1.00 52.04 H new ATOM 0 HG11 VAL A 611 -2.945 -4.491 -11.996 1.00 14.30 H new ATOM 0 HG12 VAL A 611 -2.387 -5.873 -11.023 1.00 14.30 H new ATOM 0 HG13 VAL A 611 -3.747 -6.072 -12.153 1.00 14.30 H new ATOM 0 HG21 VAL A 611 -4.978 -3.370 -11.559 1.00 15.22 H new ATOM 0 HG22 VAL A 611 -5.963 -4.850 -11.643 1.00 15.22 H new ATOM 0 HG23 VAL A 611 -6.039 -3.812 -10.199 1.00 15.22 H new ATOM 1444 N THR A 612 -2.967 -6.648 -7.872 1.00 3.02 N ATOM 1445 CA THR A 612 -1.927 -7.353 -7.116 1.00 62.22 C ATOM 1446 C THR A 612 -2.372 -8.703 -6.513 1.00 33.31 C ATOM 1447 O THR A 612 -1.569 -9.406 -5.900 1.00 55.14 O ATOM 1448 CB THR A 612 -1.474 -6.397 -5.995 1.00 23.51 C ATOM 1449 OG1 THR A 612 -2.613 -5.840 -5.347 1.00 42.41 O ATOM 1450 CG2 THR A 612 -0.625 -5.242 -6.539 1.00 53.11 C ATOM 0 H THR A 612 -3.178 -5.739 -7.459 1.00 3.02 H new ATOM 0 HA THR A 612 -1.123 -7.612 -7.804 1.00 62.22 H new ATOM 0 HB THR A 612 -0.873 -6.980 -5.297 1.00 23.51 H new ATOM 0 HG1 THR A 612 -2.690 -6.212 -4.443 1.00 42.41 H new ATOM 0 HG21 THR A 612 -0.326 -4.591 -5.717 1.00 53.11 H new ATOM 0 HG22 THR A 612 0.264 -5.642 -7.027 1.00 53.11 H new ATOM 0 HG23 THR A 612 -1.208 -4.670 -7.261 1.00 53.11 H new ATOM 1458 N HIS A 613 -3.659 -9.037 -6.604 1.00 53.32 N ATOM 1459 CA HIS A 613 -4.316 -10.289 -6.250 1.00 13.55 C ATOM 1460 C HIS A 613 -5.264 -10.772 -7.362 1.00 2.35 C ATOM 1461 O HIS A 613 -5.964 -11.759 -7.155 1.00 40.35 O ATOM 1462 CB HIS A 613 -5.027 -10.169 -4.901 1.00 65.54 C ATOM 1463 CG HIS A 613 -4.030 -10.354 -3.788 1.00 21.31 C ATOM 1464 ND1 HIS A 613 -3.131 -9.412 -3.315 1.00 64.42 N ATOM 1465 CD2 HIS A 613 -3.825 -11.526 -3.111 1.00 11.43 C ATOM 1466 CE1 HIS A 613 -2.404 -10.010 -2.354 1.00 43.15 C ATOM 1467 NE2 HIS A 613 -2.799 -11.292 -2.226 1.00 1.11 N ATOM 0 H HIS A 613 -4.335 -8.364 -6.966 1.00 53.32 H new ATOM 0 HA HIS A 613 -3.545 -11.052 -6.148 1.00 13.55 H new ATOM 0 HB2 HIS A 613 -5.506 -9.193 -4.816 1.00 65.54 H new ATOM 0 HB3 HIS A 613 -5.815 -10.918 -4.826 1.00 65.54 H new ATOM 0 HD1 HIS A 613 -3.038 -8.448 -3.635 1.00 64.42 H new ATOM 0 HD2 HIS A 613 -4.363 -12.453 -3.246 1.00 11.43 H new ATOM 0 HE1 HIS A 613 -1.625 -9.536 -1.775 1.00 43.15 H new ATOM 0 HE2 HIS A 613 -2.403 -11.975 -1.580 1.00 1.11 H new ATOM 1476 N GLY A 614 -5.314 -10.106 -8.523 1.00 4.45 N ATOM 1477 CA GLY A 614 -6.329 -10.349 -9.541 1.00 63.31 C ATOM 1478 C GLY A 614 -7.730 -9.945 -9.088 1.00 14.33 C ATOM 1479 O GLY A 614 -8.706 -10.458 -9.626 1.00 5.33 O ATOM 0 H GLY A 614 -4.644 -9.380 -8.778 1.00 4.45 H new ATOM 0 HA2 GLY A 614 -6.071 -9.796 -10.444 1.00 63.31 H new ATOM 0 HA3 GLY A 614 -6.328 -11.407 -9.803 1.00 63.31 H new ATOM 1483 N PHE A 615 -7.873 -9.046 -8.109 1.00 24.41 N ATOM 1484 CA PHE A 615 -9.153 -8.668 -7.520 1.00 14.31 C ATOM 1485 C PHE A 615 -9.738 -7.489 -8.273 1.00 33.21 C ATOM 1486 O PHE A 615 -9.031 -6.658 -8.848 1.00 2.35 O ATOM 1487 CB PHE A 615 -8.964 -8.275 -6.054 1.00 31.43 C ATOM 1488 CG PHE A 615 -8.980 -9.386 -5.028 1.00 52.14 C ATOM 1489 CD1 PHE A 615 -8.745 -10.730 -5.364 1.00 4.43 C ATOM 1490 CD2 PHE A 615 -9.215 -9.039 -3.693 1.00 13.02 C ATOM 1491 CE1 PHE A 615 -8.706 -11.709 -4.353 1.00 63.23 C ATOM 1492 CE2 PHE A 615 -9.204 -10.010 -2.684 1.00 62.41 C ATOM 1493 CZ PHE A 615 -8.929 -11.349 -3.010 1.00 51.24 C ATOM 0 H PHE A 615 -7.081 -8.552 -7.698 1.00 24.41 H new ATOM 0 HA PHE A 615 -9.829 -9.520 -7.584 1.00 14.31 H new ATOM 0 HB2 PHE A 615 -8.013 -7.749 -5.966 1.00 31.43 H new ATOM 0 HB3 PHE A 615 -9.747 -7.564 -5.792 1.00 31.43 H new ATOM 0 HD1 PHE A 615 -8.595 -11.011 -6.396 1.00 4.43 H new ATOM 0 HD2 PHE A 615 -9.408 -8.008 -3.437 1.00 13.02 H new ATOM 0 HE1 PHE A 615 -8.505 -12.739 -4.608 1.00 63.23 H new ATOM 0 HE2 PHE A 615 -9.406 -9.731 -1.660 1.00 62.41 H new ATOM 0 HZ PHE A 615 -8.889 -12.099 -2.234 1.00 51.24 H new ATOM 1503 N ASN A 616 -11.054 -7.392 -8.182 1.00 40.25 N ATOM 1504 CA ASN A 616 -11.836 -6.221 -8.571 1.00 3.24 C ATOM 1505 C ASN A 616 -11.839 -5.203 -7.456 1.00 15.33 C ATOM 1506 O ASN A 616 -11.583 -5.538 -6.308 1.00 32.21 O ATOM 1507 CB ASN A 616 -13.294 -6.597 -8.927 1.00 60.44 C ATOM 1508 CG ASN A 616 -13.991 -7.528 -7.947 1.00 2.24 C ATOM 1509 OD1 ASN A 616 -13.519 -8.636 -7.726 1.00 52.03 O ATOM 1510 ND2 ASN A 616 -15.126 -7.173 -7.375 1.00 43.13 N ATOM 0 H ASN A 616 -11.632 -8.152 -7.823 1.00 40.25 H new ATOM 0 HA ASN A 616 -11.367 -5.797 -9.459 1.00 3.24 H new ATOM 0 HB2 ASN A 616 -13.878 -5.680 -9.007 1.00 60.44 H new ATOM 0 HB3 ASN A 616 -13.299 -7.065 -9.911 1.00 60.44 H new ATOM 0 HD21 ASN A 616 -15.607 -7.821 -6.751 1.00 43.13 H new ATOM 0 HD22 ASN A 616 -15.522 -6.251 -7.557 1.00 43.13 H new ATOM 1517 N LEU A 617 -12.130 -3.951 -7.805 1.00 53.31 N ATOM 1518 CA LEU A 617 -12.010 -2.814 -6.896 1.00 12.13 C ATOM 1519 C LEU A 617 -12.977 -2.940 -5.717 1.00 72.43 C ATOM 1520 O LEU A 617 -12.678 -2.493 -4.612 1.00 51.15 O ATOM 1521 CB LEU A 617 -12.271 -1.522 -7.688 1.00 75.54 C ATOM 1522 CG LEU A 617 -12.004 -0.230 -6.900 1.00 11.21 C ATOM 1523 CD1 LEU A 617 -10.534 -0.118 -6.477 1.00 34.13 C ATOM 1524 CD2 LEU A 617 -12.341 0.970 -7.785 1.00 65.45 C ATOM 0 H LEU A 617 -12.459 -3.696 -8.736 1.00 53.31 H new ATOM 0 HA LEU A 617 -11.003 -2.791 -6.478 1.00 12.13 H new ATOM 0 HB2 LEU A 617 -11.645 -1.525 -8.581 1.00 75.54 H new ATOM 0 HB3 LEU A 617 -13.308 -1.520 -8.025 1.00 75.54 H new ATOM 0 HG LEU A 617 -12.624 -0.249 -6.004 1.00 11.21 H new ATOM 0 HD11 LEU A 617 -10.385 0.808 -5.922 1.00 34.13 H new ATOM 0 HD12 LEU A 617 -10.272 -0.966 -5.844 1.00 34.13 H new ATOM 0 HD13 LEU A 617 -9.899 -0.117 -7.363 1.00 34.13 H new ATOM 0 HD21 LEU A 617 -12.155 1.892 -7.234 1.00 65.45 H new ATOM 0 HD22 LEU A 617 -11.718 0.949 -8.679 1.00 65.45 H new ATOM 0 HD23 LEU A 617 -13.391 0.926 -8.074 1.00 65.45 H new ATOM 1536 N GLU A 618 -14.132 -3.554 -5.966 1.00 13.52 N ATOM 1537 CA GLU A 618 -15.157 -3.805 -4.973 1.00 2.33 C ATOM 1538 C GLU A 618 -14.697 -4.871 -3.982 1.00 31.33 C ATOM 1539 O GLU A 618 -14.630 -4.583 -2.788 1.00 31.31 O ATOM 1540 CB GLU A 618 -16.450 -4.156 -5.705 1.00 41.14 C ATOM 1541 CG GLU A 618 -17.668 -3.966 -4.794 1.00 34.14 C ATOM 1542 CD GLU A 618 -18.987 -4.072 -5.564 1.00 33.42 C ATOM 1543 OE1 GLU A 618 -19.115 -3.441 -6.636 1.00 44.41 O ATOM 1544 OE2 GLU A 618 -19.907 -4.780 -5.095 1.00 23.52 O ATOM 0 H GLU A 618 -14.381 -3.898 -6.893 1.00 13.52 H new ATOM 0 HA GLU A 618 -15.347 -2.919 -4.368 1.00 2.33 H new ATOM 0 HB2 GLU A 618 -16.552 -3.528 -6.590 1.00 41.14 H new ATOM 0 HB3 GLU A 618 -16.407 -5.189 -6.050 1.00 41.14 H new ATOM 0 HG2 GLU A 618 -17.649 -4.716 -4.004 1.00 34.14 H new ATOM 0 HG3 GLU A 618 -17.609 -2.991 -4.310 1.00 34.14 H new ATOM 1551 N GLU A 619 -14.312 -6.065 -4.452 1.00 2.30 N ATOM 1552 CA GLU A 619 -13.716 -7.085 -3.606 1.00 52.03 C ATOM 1553 C GLU A 619 -12.496 -6.550 -2.865 1.00 41.32 C ATOM 1554 O GLU A 619 -12.316 -6.851 -1.690 1.00 61.21 O ATOM 1555 CB GLU A 619 -13.243 -8.238 -4.513 1.00 13.22 C ATOM 1556 CG GLU A 619 -14.367 -9.228 -4.780 1.00 11.20 C ATOM 1557 CD GLU A 619 -14.735 -10.009 -3.518 1.00 20.42 C ATOM 1558 OE1 GLU A 619 -14.137 -11.067 -3.234 1.00 2.23 O ATOM 1559 OE2 GLU A 619 -15.656 -9.541 -2.810 1.00 14.32 O ATOM 0 H GLU A 619 -14.408 -6.342 -5.429 1.00 2.30 H new ATOM 0 HA GLU A 619 -14.458 -7.410 -2.877 1.00 52.03 H new ATOM 0 HB2 GLU A 619 -12.879 -7.834 -5.458 1.00 13.22 H new ATOM 0 HB3 GLU A 619 -12.406 -8.753 -4.043 1.00 13.22 H new ATOM 0 HG2 GLU A 619 -15.244 -8.695 -5.148 1.00 11.20 H new ATOM 0 HG3 GLU A 619 -14.064 -9.922 -5.564 1.00 11.20 H new ATOM 1566 N ALA A 620 -11.665 -5.750 -3.537 1.00 15.40 N ATOM 1567 CA ALA A 620 -10.491 -5.145 -2.953 1.00 44.31 C ATOM 1568 C ALA A 620 -10.860 -4.361 -1.716 1.00 52.31 C ATOM 1569 O ALA A 620 -10.286 -4.603 -0.660 1.00 3.40 O ATOM 1570 CB ALA A 620 -9.765 -4.243 -3.968 1.00 0.01 C ATOM 0 H ALA A 620 -11.801 -5.507 -4.518 1.00 15.40 H new ATOM 0 HA ALA A 620 -9.808 -5.945 -2.668 1.00 44.31 H new ATOM 0 HB1 ALA A 620 -8.886 -3.802 -3.499 1.00 0.01 H new ATOM 0 HB2 ALA A 620 -9.458 -4.837 -4.828 1.00 0.01 H new ATOM 0 HB3 ALA A 620 -10.437 -3.450 -4.296 1.00 0.01 H new ATOM 1576 N ALA A 621 -11.812 -3.438 -1.837 1.00 32.25 N ATOM 1577 CA ALA A 621 -12.259 -2.646 -0.713 1.00 40.22 C ATOM 1578 C ALA A 621 -12.800 -3.553 0.381 1.00 20.21 C ATOM 1579 O ALA A 621 -12.363 -3.432 1.522 1.00 1.55 O ATOM 1580 CB ALA A 621 -13.350 -1.682 -1.189 1.00 52.32 C ATOM 0 H ALA A 621 -12.287 -3.225 -2.714 1.00 32.25 H new ATOM 0 HA ALA A 621 -11.422 -2.078 -0.306 1.00 40.22 H new ATOM 0 HB1 ALA A 621 -13.695 -1.079 -0.349 1.00 52.32 H new ATOM 0 HB2 ALA A 621 -12.946 -1.029 -1.963 1.00 52.32 H new ATOM 0 HB3 ALA A 621 -14.187 -2.251 -1.595 1.00 52.32 H new ATOM 1586 N ARG A 622 -13.707 -4.476 0.037 1.00 1.00 N ATOM 1587 CA ARG A 622 -14.304 -5.407 0.991 1.00 22.20 C ATOM 1588 C ARG A 622 -13.225 -6.128 1.782 1.00 44.04 C ATOM 1589 O ARG A 622 -13.234 -6.089 3.013 1.00 54.03 O ATOM 1590 CB ARG A 622 -15.217 -6.420 0.277 1.00 42.12 C ATOM 1591 CG ARG A 622 -16.525 -5.761 -0.176 1.00 43.11 C ATOM 1592 CD ARG A 622 -17.576 -6.773 -0.632 1.00 42.34 C ATOM 1593 NE ARG A 622 -17.270 -7.442 -1.902 1.00 24.21 N ATOM 1594 CZ ARG A 622 -17.989 -7.356 -3.028 1.00 41.04 C ATOM 1595 NH1 ARG A 622 -19.119 -6.668 -3.091 1.00 72.51 N ATOM 1596 NH2 ARG A 622 -17.577 -7.988 -4.111 1.00 63.11 N ATOM 0 H ARG A 622 -14.046 -4.595 -0.918 1.00 1.00 H new ATOM 0 HA ARG A 622 -14.916 -4.831 1.685 1.00 22.20 H new ATOM 0 HB2 ARG A 622 -14.698 -6.836 -0.586 1.00 42.12 H new ATOM 0 HB3 ARG A 622 -15.438 -7.251 0.947 1.00 42.12 H new ATOM 0 HG2 ARG A 622 -16.930 -5.169 0.644 1.00 43.11 H new ATOM 0 HG3 ARG A 622 -16.314 -5.071 -0.993 1.00 43.11 H new ATOM 0 HD2 ARG A 622 -17.693 -7.530 0.143 1.00 42.34 H new ATOM 0 HD3 ARG A 622 -18.535 -6.263 -0.727 1.00 42.34 H new ATOM 0 HE ARG A 622 -16.434 -8.025 -1.929 1.00 24.21 H new ATOM 0 HH11 ARG A 622 -19.467 -6.182 -2.264 1.00 72.51 H new ATOM 0 HH12 ARG A 622 -19.641 -6.624 -3.966 1.00 72.51 H new ATOM 0 HH21 ARG A 622 -16.717 -8.536 -4.086 1.00 63.11 H new ATOM 0 HH22 ARG A 622 -18.118 -7.928 -4.973 1.00 63.11 H new ATOM 1610 N CYS A 623 -12.299 -6.778 1.087 1.00 73.42 N ATOM 1611 CA CYS A 623 -11.242 -7.544 1.704 1.00 3.03 C ATOM 1612 C CYS A 623 -10.341 -6.639 2.543 1.00 31.12 C ATOM 1613 O CYS A 623 -9.843 -7.069 3.580 1.00 24.45 O ATOM 1614 CB CYS A 623 -10.429 -8.260 0.621 1.00 40.04 C ATOM 1615 SG CYS A 623 -9.640 -9.697 1.392 1.00 34.51 S ATOM 0 H CYS A 623 -12.268 -6.783 0.067 1.00 73.42 H new ATOM 0 HA CYS A 623 -11.683 -8.288 2.368 1.00 3.03 H new ATOM 0 HB2 CYS A 623 -11.075 -8.572 -0.200 1.00 40.04 H new ATOM 0 HB3 CYS A 623 -9.679 -7.591 0.200 1.00 40.04 H new ATOM 0 HG CYS A 623 -9.117 -10.451 0.471 1.00 34.51 H new ATOM 1621 N MET A 624 -10.094 -5.404 2.097 1.00 74.51 N ATOM 1622 CA MET A 624 -9.183 -4.503 2.778 1.00 0.53 C ATOM 1623 C MET A 624 -9.817 -3.817 3.991 1.00 1.41 C ATOM 1624 O MET A 624 -9.074 -3.362 4.858 1.00 0.43 O ATOM 1625 CB MET A 624 -8.452 -3.598 1.776 1.00 3.51 C ATOM 1626 CG MET A 624 -8.916 -2.173 1.640 1.00 61.21 C ATOM 1627 SD MET A 624 -7.833 -0.940 2.406 1.00 14.15 S ATOM 1628 CE MET A 624 -6.516 -0.851 1.150 1.00 14.34 C ATOM 0 H MET A 624 -10.521 -5.010 1.258 1.00 74.51 H new ATOM 0 HA MET A 624 -8.388 -5.088 3.241 1.00 0.53 H new ATOM 0 HB2 MET A 624 -7.397 -3.581 2.050 1.00 3.51 H new ATOM 0 HB3 MET A 624 -8.519 -4.066 0.794 1.00 3.51 H new ATOM 0 HG2 MET A 624 -9.016 -1.939 0.580 1.00 61.21 H new ATOM 0 HG3 MET A 624 -9.909 -2.086 2.081 1.00 61.21 H new ATOM 0 HE1 MET A 624 -5.807 -0.069 1.421 1.00 14.34 H new ATOM 0 HE2 MET A 624 -5.998 -1.809 1.097 1.00 14.34 H new ATOM 0 HE3 MET A 624 -6.954 -0.622 0.179 1.00 14.34 H new ATOM 1638 N ARG A 625 -11.152 -3.829 4.145 1.00 5.04 N ATOM 1639 CA ARG A 625 -11.799 -3.374 5.373 1.00 73.42 C ATOM 1640 C ARG A 625 -11.330 -4.176 6.584 1.00 42.11 C ATOM 1641 O ARG A 625 -11.297 -3.616 7.680 1.00 21.44 O ATOM 1642 CB ARG A 625 -13.328 -3.455 5.267 1.00 3.33 C ATOM 1643 CG ARG A 625 -13.944 -2.482 4.248 1.00 52.32 C ATOM 1644 CD ARG A 625 -15.347 -2.014 4.658 1.00 11.11 C ATOM 1645 NE ARG A 625 -15.311 -1.180 5.870 1.00 4.25 N ATOM 1646 CZ ARG A 625 -16.370 -0.642 6.485 1.00 11.03 C ATOM 1647 NH1 ARG A 625 -17.600 -0.800 6.014 1.00 54.23 N ATOM 1648 NH2 ARG A 625 -16.201 0.087 7.582 1.00 65.22 N ATOM 0 H ARG A 625 -11.801 -4.152 3.427 1.00 5.04 H new ATOM 0 HA ARG A 625 -11.511 -2.332 5.509 1.00 73.42 H new ATOM 0 HB2 ARG A 625 -13.608 -4.473 4.995 1.00 3.33 H new ATOM 0 HB3 ARG A 625 -13.760 -3.257 6.248 1.00 3.33 H new ATOM 0 HG2 ARG A 625 -13.293 -1.615 4.138 1.00 52.32 H new ATOM 0 HG3 ARG A 625 -13.996 -2.967 3.273 1.00 52.32 H new ATOM 0 HD2 ARG A 625 -15.795 -1.449 3.841 1.00 11.11 H new ATOM 0 HD3 ARG A 625 -15.983 -2.882 4.832 1.00 11.11 H new ATOM 0 HE ARG A 625 -14.395 -0.995 6.278 1.00 4.25 H new ATOM 0 HH11 ARG A 625 -17.755 -1.342 5.164 1.00 54.23 H new ATOM 0 HH12 ARG A 625 -18.391 -0.379 6.502 1.00 54.23 H new ATOM 0 HH21 ARG A 625 -15.264 0.237 7.956 1.00 65.22 H new ATOM 0 HH22 ARG A 625 -17.008 0.497 8.051 1.00 65.22 H new ATOM 1662 N SER A 626 -10.907 -5.432 6.409 1.00 11.03 N ATOM 1663 CA SER A 626 -10.338 -6.257 7.471 1.00 51.01 C ATOM 1664 C SER A 626 -9.025 -5.693 8.043 1.00 61.35 C ATOM 1665 O SER A 626 -8.493 -6.243 9.011 1.00 23.35 O ATOM 1666 CB SER A 626 -10.119 -7.673 6.926 1.00 74.41 C ATOM 1667 OG SER A 626 -11.283 -8.146 6.271 1.00 74.11 O ATOM 0 H SER A 626 -10.953 -5.909 5.509 1.00 11.03 H new ATOM 0 HA SER A 626 -11.045 -6.266 8.301 1.00 51.01 H new ATOM 0 HB2 SER A 626 -9.279 -7.674 6.231 1.00 74.41 H new ATOM 0 HB3 SER A 626 -9.857 -8.345 7.743 1.00 74.41 H new ATOM 0 HG SER A 626 -11.231 -7.931 5.316 1.00 74.11 H new ATOM 1673 N LEU A 627 -8.464 -4.630 7.457 1.00 75.14 N ATOM 1674 CA LEU A 627 -7.360 -3.889 8.039 1.00 14.41 C ATOM 1675 C LEU A 627 -7.884 -3.102 9.240 1.00 64.14 C ATOM 1676 O LEU A 627 -8.982 -2.535 9.214 1.00 2.45 O ATOM 1677 CB LEU A 627 -6.763 -2.955 6.964 1.00 60.32 C ATOM 1678 CG LEU A 627 -5.449 -2.242 7.346 1.00 11.25 C ATOM 1679 CD1 LEU A 627 -4.202 -3.087 7.059 1.00 15.20 C ATOM 1680 CD2 LEU A 627 -5.306 -0.953 6.538 1.00 44.24 C ATOM 0 H LEU A 627 -8.773 -4.263 6.557 1.00 75.14 H new ATOM 0 HA LEU A 627 -6.572 -4.559 8.382 1.00 14.41 H new ATOM 0 HB2 LEU A 627 -6.588 -3.538 6.060 1.00 60.32 H new ATOM 0 HB3 LEU A 627 -7.506 -2.197 6.715 1.00 60.32 H new ATOM 0 HG LEU A 627 -5.510 -2.053 8.418 1.00 11.25 H new ATOM 0 HD11 LEU A 627 -3.311 -2.531 7.349 1.00 15.20 H new ATOM 0 HD12 LEU A 627 -4.252 -4.015 7.629 1.00 15.20 H new ATOM 0 HD13 LEU A 627 -4.156 -3.317 5.995 1.00 15.20 H new ATOM 0 HD21 LEU A 627 -4.377 -0.453 6.811 1.00 44.24 H new ATOM 0 HD22 LEU A 627 -5.291 -1.190 5.474 1.00 44.24 H new ATOM 0 HD23 LEU A 627 -6.148 -0.295 6.751 1.00 44.24 H new ATOM 1692 N LYS A 628 -7.076 -3.063 10.293 1.00 22.53 N ATOM 1693 CA LYS A 628 -7.382 -2.441 11.575 1.00 54.34 C ATOM 1694 C LYS A 628 -6.389 -1.328 11.906 1.00 15.00 C ATOM 1695 O LYS A 628 -6.454 -0.784 13.005 1.00 63.52 O ATOM 1696 CB LYS A 628 -7.475 -3.502 12.679 1.00 12.13 C ATOM 1697 CG LYS A 628 -8.486 -4.618 12.363 1.00 51.33 C ATOM 1698 CD LYS A 628 -9.957 -4.183 12.213 1.00 31.25 C ATOM 1699 CE LYS A 628 -10.792 -4.457 13.467 1.00 23.35 C ATOM 1700 NZ LYS A 628 -10.411 -3.638 14.639 1.00 52.51 N ATOM 0 H LYS A 628 -6.147 -3.484 10.275 1.00 22.53 H new ATOM 0 HA LYS A 628 -8.360 -1.964 11.506 1.00 54.34 H new ATOM 0 HB2 LYS A 628 -6.491 -3.945 12.832 1.00 12.13 H new ATOM 0 HB3 LYS A 628 -7.757 -3.020 13.615 1.00 12.13 H new ATOM 0 HG2 LYS A 628 -8.178 -5.107 11.439 1.00 51.33 H new ATOM 0 HG3 LYS A 628 -8.429 -5.366 13.154 1.00 51.33 H new ATOM 0 HD2 LYS A 628 -9.994 -3.118 11.984 1.00 31.25 H new ATOM 0 HD3 LYS A 628 -10.401 -4.707 11.366 1.00 31.25 H new ATOM 0 HE2 LYS A 628 -11.842 -4.277 13.237 1.00 23.35 H new ATOM 0 HE3 LYS A 628 -10.699 -5.511 13.729 1.00 23.35 H new ATOM 0 HZ1 LYS A 628 -11.021 -3.881 15.446 1.00 52.51 H new ATOM 0 HZ2 LYS A 628 -9.418 -3.826 14.886 1.00 52.51 H new ATOM 0 HZ3 LYS A 628 -10.526 -2.630 14.410 1.00 52.51 H new ATOM 1714 N ALA A 629 -5.484 -0.996 10.982 1.00 75.22 N ATOM 1715 CA ALA A 629 -4.566 0.129 11.075 1.00 35.40 C ATOM 1716 C ALA A 629 -5.058 1.250 10.140 1.00 2.12 C ATOM 1717 O ALA A 629 -5.682 0.946 9.119 1.00 60.54 O ATOM 1718 CB ALA A 629 -3.166 -0.347 10.689 1.00 23.20 C ATOM 0 H ALA A 629 -5.371 -1.527 10.118 1.00 75.22 H new ATOM 0 HA ALA A 629 -4.528 0.522 12.091 1.00 35.40 H new ATOM 0 HB1 ALA A 629 -2.467 0.487 10.754 1.00 23.20 H new ATOM 0 HB2 ALA A 629 -2.851 -1.139 11.369 1.00 23.20 H new ATOM 0 HB3 ALA A 629 -3.180 -0.729 9.668 1.00 23.20 H new ATOM 1724 N PRO A 630 -4.825 2.533 10.456 1.00 42.03 N ATOM 1725 CA PRO A 630 -5.360 3.666 9.704 1.00 54.31 C ATOM 1726 C PRO A 630 -4.483 4.002 8.485 1.00 0.43 C ATOM 1727 O PRO A 630 -3.360 4.467 8.641 1.00 41.32 O ATOM 1728 CB PRO A 630 -5.392 4.804 10.732 1.00 12.50 C ATOM 1729 CG PRO A 630 -4.223 4.498 11.661 1.00 25.22 C ATOM 1730 CD PRO A 630 -4.154 2.980 11.669 1.00 2.20 C ATOM 0 HA PRO A 630 -6.345 3.467 9.281 1.00 54.31 H new ATOM 0 HB2 PRO A 630 -5.277 5.777 10.254 1.00 12.50 H new ATOM 0 HB3 PRO A 630 -6.337 4.825 11.274 1.00 12.50 H new ATOM 0 HG2 PRO A 630 -3.296 4.939 11.295 1.00 25.22 H new ATOM 0 HG3 PRO A 630 -4.392 4.896 12.662 1.00 25.22 H new ATOM 0 HD2 PRO A 630 -3.119 2.638 11.689 1.00 2.20 H new ATOM 0 HD3 PRO A 630 -4.641 2.573 12.555 1.00 2.20 H new ATOM 1738 N ALA A 631 -4.974 3.859 7.251 1.00 14.43 N ATOM 1739 CA ALA A 631 -4.141 3.971 6.067 1.00 33.23 C ATOM 1740 C ALA A 631 -4.793 4.819 4.976 1.00 3.34 C ATOM 1741 O ALA A 631 -6.018 4.889 4.852 1.00 3.13 O ATOM 1742 CB ALA A 631 -3.865 2.552 5.600 1.00 31.11 C ATOM 0 H ALA A 631 -5.955 3.664 7.053 1.00 14.43 H new ATOM 0 HA ALA A 631 -3.211 4.489 6.301 1.00 33.23 H new ATOM 0 HB1 ALA A 631 -3.239 2.578 4.708 1.00 31.11 H new ATOM 0 HB2 ALA A 631 -3.350 2.003 6.388 1.00 31.11 H new ATOM 0 HB3 ALA A 631 -4.807 2.055 5.368 1.00 31.11 H new ATOM 1748 N VAL A 632 -3.953 5.448 4.163 1.00 12.15 N ATOM 1749 CA VAL A 632 -4.328 6.039 2.885 1.00 4.14 C ATOM 1750 C VAL A 632 -4.339 4.901 1.860 1.00 11.44 C ATOM 1751 O VAL A 632 -3.419 4.080 1.839 1.00 41.32 O ATOM 1752 CB VAL A 632 -3.376 7.204 2.521 1.00 21.34 C ATOM 1753 CG1 VAL A 632 -3.633 7.739 1.109 1.00 3.23 C ATOM 1754 CG2 VAL A 632 -3.535 8.391 3.489 1.00 64.25 C ATOM 0 H VAL A 632 -2.963 5.564 4.381 1.00 12.15 H new ATOM 0 HA VAL A 632 -5.319 6.492 2.916 1.00 4.14 H new ATOM 0 HB VAL A 632 -2.371 6.787 2.587 1.00 21.34 H new ATOM 0 HG11 VAL A 632 -2.942 8.555 0.898 1.00 3.23 H new ATOM 0 HG12 VAL A 632 -3.483 6.939 0.384 1.00 3.23 H new ATOM 0 HG13 VAL A 632 -4.658 8.104 1.039 1.00 3.23 H new ATOM 0 HG21 VAL A 632 -2.851 9.189 3.202 1.00 64.25 H new ATOM 0 HG22 VAL A 632 -4.560 8.759 3.448 1.00 64.25 H new ATOM 0 HG23 VAL A 632 -3.307 8.066 4.504 1.00 64.25 H new ATOM 1764 N VAL A 633 -5.376 4.840 1.027 1.00 3.50 N ATOM 1765 CA VAL A 633 -5.473 3.941 -0.126 1.00 41.13 C ATOM 1766 C VAL A 633 -5.321 4.822 -1.380 1.00 40.51 C ATOM 1767 O VAL A 633 -5.483 6.039 -1.281 1.00 0.24 O ATOM 1768 CB VAL A 633 -6.809 3.167 -0.123 1.00 32.40 C ATOM 1769 CG1 VAL A 633 -6.648 1.920 -1.008 1.00 34.21 C ATOM 1770 CG2 VAL A 633 -7.235 2.739 1.290 1.00 3.21 C ATOM 0 H VAL A 633 -6.199 5.433 1.138 1.00 3.50 H new ATOM 0 HA VAL A 633 -4.694 3.180 -0.098 1.00 41.13 H new ATOM 0 HB VAL A 633 -7.587 3.827 -0.507 1.00 32.40 H new ATOM 0 HG11 VAL A 633 -7.582 1.359 -1.019 1.00 34.21 H new ATOM 0 HG12 VAL A 633 -6.396 2.225 -2.024 1.00 34.21 H new ATOM 0 HG13 VAL A 633 -5.852 1.291 -0.609 1.00 34.21 H new ATOM 0 HG21 VAL A 633 -8.180 2.199 1.237 1.00 3.21 H new ATOM 0 HG22 VAL A 633 -6.471 2.092 1.720 1.00 3.21 H new ATOM 0 HG23 VAL A 633 -7.357 3.623 1.917 1.00 3.21 H new ATOM 1780 N SER A 634 -5.067 4.256 -2.558 1.00 14.04 N ATOM 1781 CA SER A 634 -5.066 4.971 -3.827 1.00 75.32 C ATOM 1782 C SER A 634 -5.934 4.232 -4.842 1.00 4.50 C ATOM 1783 O SER A 634 -6.419 3.137 -4.572 1.00 41.02 O ATOM 1784 CB SER A 634 -3.627 5.170 -4.317 1.00 31.40 C ATOM 1785 OG SER A 634 -3.552 6.190 -5.303 1.00 42.44 O ATOM 0 H SER A 634 -4.851 3.264 -2.656 1.00 14.04 H new ATOM 0 HA SER A 634 -5.499 5.962 -3.694 1.00 75.32 H new ATOM 0 HB2 SER A 634 -2.986 5.429 -3.474 1.00 31.40 H new ATOM 0 HB3 SER A 634 -3.249 4.235 -4.729 1.00 31.40 H new ATOM 0 HG SER A 634 -2.637 6.244 -5.649 1.00 42.44 H new ATOM 1791 N VAL A 635 -6.082 4.814 -6.024 1.00 31.54 N ATOM 1792 CA VAL A 635 -6.705 4.247 -7.212 1.00 51.31 C ATOM 1793 C VAL A 635 -5.955 4.793 -8.433 1.00 4.51 C ATOM 1794 O VAL A 635 -4.979 5.540 -8.284 1.00 51.32 O ATOM 1795 CB VAL A 635 -8.211 4.583 -7.255 1.00 63.12 C ATOM 1796 CG1 VAL A 635 -9.057 3.623 -6.406 1.00 52.52 C ATOM 1797 CG2 VAL A 635 -8.511 6.020 -6.815 1.00 60.34 C ATOM 0 H VAL A 635 -5.746 5.763 -6.190 1.00 31.54 H new ATOM 0 HA VAL A 635 -6.639 3.159 -7.203 1.00 51.31 H new ATOM 0 HB VAL A 635 -8.488 4.468 -8.303 1.00 63.12 H new ATOM 0 HG11 VAL A 635 -10.107 3.907 -6.474 1.00 52.52 H new ATOM 0 HG12 VAL A 635 -8.932 2.605 -6.774 1.00 52.52 H new ATOM 0 HG13 VAL A 635 -8.733 3.675 -5.366 1.00 52.52 H new ATOM 0 HG21 VAL A 635 -9.585 6.199 -6.865 1.00 60.34 H new ATOM 0 HG22 VAL A 635 -8.166 6.167 -5.791 1.00 60.34 H new ATOM 0 HG23 VAL A 635 -7.995 6.718 -7.475 1.00 60.34 H new ATOM 1807 N SER A 636 -6.358 4.409 -9.645 1.00 64.33 N ATOM 1808 CA SER A 636 -5.684 4.856 -10.859 1.00 33.33 C ATOM 1809 C SER A 636 -6.190 6.211 -11.379 1.00 2.12 C ATOM 1810 O SER A 636 -5.563 6.776 -12.278 1.00 71.33 O ATOM 1811 CB SER A 636 -5.784 3.778 -11.938 1.00 51.23 C ATOM 1812 OG SER A 636 -5.427 2.507 -11.415 1.00 14.13 O ATOM 0 H SER A 636 -7.150 3.788 -9.809 1.00 64.33 H new ATOM 0 HA SER A 636 -4.637 5.015 -10.600 1.00 33.33 H new ATOM 0 HB2 SER A 636 -6.800 3.743 -12.330 1.00 51.23 H new ATOM 0 HB3 SER A 636 -5.129 4.030 -12.772 1.00 51.23 H new ATOM 0 HG SER A 636 -5.499 1.831 -12.121 1.00 14.13 H new ATOM 1818 N SER A 637 -7.277 6.761 -10.832 1.00 33.54 N ATOM 1819 CA SER A 637 -7.855 8.027 -11.280 1.00 20.45 C ATOM 1820 C SER A 637 -8.722 8.630 -10.175 1.00 31.40 C ATOM 1821 O SER A 637 -9.222 7.883 -9.331 1.00 4.55 O ATOM 1822 CB SER A 637 -8.711 7.825 -12.542 1.00 34.10 C ATOM 1823 OG SER A 637 -8.999 6.464 -12.822 1.00 4.00 O ATOM 0 H SER A 637 -7.785 6.334 -10.057 1.00 33.54 H new ATOM 0 HA SER A 637 -7.035 8.706 -11.515 1.00 20.45 H new ATOM 0 HB2 SER A 637 -9.648 8.369 -12.426 1.00 34.10 H new ATOM 0 HB3 SER A 637 -8.193 8.261 -13.396 1.00 34.10 H new ATOM 0 HG SER A 637 -9.546 6.406 -13.633 1.00 4.00 H new ATOM 1829 N PRO A 638 -8.940 9.955 -10.182 1.00 12.31 N ATOM 1830 CA PRO A 638 -9.723 10.623 -9.156 1.00 3.50 C ATOM 1831 C PRO A 638 -11.181 10.177 -9.145 1.00 14.45 C ATOM 1832 O PRO A 638 -11.767 10.040 -8.076 1.00 12.31 O ATOM 1833 CB PRO A 638 -9.552 12.123 -9.390 1.00 73.14 C ATOM 1834 CG PRO A 638 -8.993 12.258 -10.803 1.00 60.42 C ATOM 1835 CD PRO A 638 -8.322 10.917 -11.079 1.00 62.13 C ATOM 0 HA PRO A 638 -9.366 10.355 -8.162 1.00 3.50 H new ATOM 0 HB2 PRO A 638 -10.504 12.646 -9.294 1.00 73.14 H new ATOM 0 HB3 PRO A 638 -8.873 12.559 -8.657 1.00 73.14 H new ATOM 0 HG2 PRO A 638 -9.784 12.462 -11.525 1.00 60.42 H new ATOM 0 HG3 PRO A 638 -8.280 13.080 -10.871 1.00 60.42 H new ATOM 0 HD2 PRO A 638 -8.459 10.621 -12.119 1.00 62.13 H new ATOM 0 HD3 PRO A 638 -7.248 10.977 -10.903 1.00 62.13 H new ATOM 1843 N ASP A 639 -11.775 9.870 -10.298 1.00 1.53 N ATOM 1844 CA ASP A 639 -13.175 9.444 -10.319 1.00 44.24 C ATOM 1845 C ASP A 639 -13.370 8.083 -9.656 1.00 74.41 C ATOM 1846 O ASP A 639 -14.449 7.807 -9.131 1.00 14.21 O ATOM 1847 CB ASP A 639 -13.725 9.461 -11.748 1.00 12.21 C ATOM 1848 CG ASP A 639 -14.044 10.898 -12.132 1.00 13.45 C ATOM 1849 OD1 ASP A 639 -15.104 11.392 -11.686 1.00 75.22 O ATOM 1850 OD2 ASP A 639 -13.184 11.554 -12.761 1.00 43.05 O ATOM 0 H ASP A 639 -11.322 9.906 -11.211 1.00 1.53 H new ATOM 0 HA ASP A 639 -13.746 10.161 -9.730 1.00 44.24 H new ATOM 0 HB2 ASP A 639 -12.995 9.039 -12.439 1.00 12.21 H new ATOM 0 HB3 ASP A 639 -14.621 8.844 -11.815 1.00 12.21 H new ATOM 1855 N ALA A 640 -12.329 7.250 -9.595 1.00 4.35 N ATOM 1856 CA ALA A 640 -12.400 5.947 -8.950 1.00 60.54 C ATOM 1857 C ALA A 640 -12.337 6.067 -7.419 1.00 73.32 C ATOM 1858 O ALA A 640 -12.699 5.119 -6.722 1.00 63.21 O ATOM 1859 CB ALA A 640 -11.277 5.061 -9.499 1.00 60.53 C ATOM 0 H ALA A 640 -11.415 7.464 -9.993 1.00 4.35 H new ATOM 0 HA ALA A 640 -13.361 5.486 -9.177 1.00 60.54 H new ATOM 0 HB1 ALA A 640 -11.320 4.082 -9.023 1.00 60.53 H new ATOM 0 HB2 ALA A 640 -11.398 4.946 -10.576 1.00 60.53 H new ATOM 0 HB3 ALA A 640 -10.313 5.524 -9.289 1.00 60.53 H new ATOM 1865 N VAL A 641 -11.911 7.217 -6.884 1.00 41.34 N ATOM 1866 CA VAL A 641 -11.738 7.452 -5.453 1.00 13.30 C ATOM 1867 C VAL A 641 -13.103 7.322 -4.788 1.00 34.22 C ATOM 1868 O VAL A 641 -13.292 6.490 -3.902 1.00 54.44 O ATOM 1869 CB VAL A 641 -11.117 8.849 -5.227 1.00 15.44 C ATOM 1870 CG1 VAL A 641 -10.946 9.184 -3.743 1.00 63.44 C ATOM 1871 CG2 VAL A 641 -9.726 8.977 -5.853 1.00 61.11 C ATOM 0 H VAL A 641 -11.672 8.029 -7.453 1.00 41.34 H new ATOM 0 HA VAL A 641 -11.059 6.722 -5.012 1.00 13.30 H new ATOM 0 HB VAL A 641 -11.821 9.534 -5.699 1.00 15.44 H new ATOM 0 HG11 VAL A 641 -10.506 10.176 -3.642 1.00 63.44 H new ATOM 0 HG12 VAL A 641 -11.919 9.167 -3.252 1.00 63.44 H new ATOM 0 HG13 VAL A 641 -10.291 8.448 -3.277 1.00 63.44 H new ATOM 0 HG21 VAL A 641 -9.334 9.977 -5.666 1.00 61.11 H new ATOM 0 HG22 VAL A 641 -9.059 8.237 -5.411 1.00 61.11 H new ATOM 0 HG23 VAL A 641 -9.794 8.809 -6.928 1.00 61.11 H new ATOM 1881 N THR A 642 -14.061 8.126 -5.243 1.00 53.24 N ATOM 1882 CA THR A 642 -15.416 8.166 -4.727 1.00 24.41 C ATOM 1883 C THR A 642 -16.089 6.787 -4.839 1.00 44.42 C ATOM 1884 O THR A 642 -16.797 6.384 -3.919 1.00 60.21 O ATOM 1885 CB THR A 642 -16.157 9.265 -5.499 1.00 41.43 C ATOM 1886 OG1 THR A 642 -15.456 10.494 -5.413 1.00 3.10 O ATOM 1887 CG2 THR A 642 -17.568 9.483 -4.957 1.00 24.21 C ATOM 0 H THR A 642 -13.905 8.786 -6.005 1.00 53.24 H new ATOM 0 HA THR A 642 -15.432 8.403 -3.663 1.00 24.41 H new ATOM 0 HB THR A 642 -16.218 8.934 -6.536 1.00 41.43 H new ATOM 0 HG1 THR A 642 -15.942 11.183 -5.912 1.00 3.10 H new ATOM 0 HG21 THR A 642 -18.060 10.269 -5.530 1.00 24.21 H new ATOM 0 HG22 THR A 642 -18.138 8.558 -5.045 1.00 24.21 H new ATOM 0 HG23 THR A 642 -17.514 9.778 -3.909 1.00 24.21 H new ATOM 1895 N THR A 643 -15.834 6.047 -5.924 1.00 25.32 N ATOM 1896 CA THR A 643 -16.338 4.692 -6.114 1.00 32.31 C ATOM 1897 C THR A 643 -15.828 3.779 -4.992 1.00 23.30 C ATOM 1898 O THR A 643 -16.627 3.183 -4.272 1.00 1.02 O ATOM 1899 CB THR A 643 -15.942 4.216 -7.522 1.00 1.11 C ATOM 1900 OG1 THR A 643 -16.524 5.051 -8.511 1.00 43.11 O ATOM 1901 CG2 THR A 643 -16.399 2.792 -7.827 1.00 55.45 C ATOM 0 H THR A 643 -15.264 6.381 -6.701 1.00 25.32 H new ATOM 0 HA THR A 643 -17.426 4.663 -6.052 1.00 32.31 H new ATOM 0 HB THR A 643 -14.853 4.256 -7.543 1.00 1.11 H new ATOM 0 HG1 THR A 643 -16.261 4.736 -9.401 1.00 43.11 H new ATOM 0 HG21 THR A 643 -16.088 2.518 -8.835 1.00 55.45 H new ATOM 0 HG22 THR A 643 -15.951 2.105 -7.110 1.00 55.45 H new ATOM 0 HG23 THR A 643 -17.485 2.735 -7.754 1.00 55.45 H new ATOM 1909 N TYR A 644 -14.508 3.684 -4.826 1.00 4.44 N ATOM 1910 CA TYR A 644 -13.890 2.820 -3.833 1.00 31.42 C ATOM 1911 C TYR A 644 -14.299 3.216 -2.404 1.00 12.42 C ATOM 1912 O TYR A 644 -14.603 2.345 -1.588 1.00 71.32 O ATOM 1913 CB TYR A 644 -12.377 2.858 -4.055 1.00 1.23 C ATOM 1914 CG TYR A 644 -11.596 2.115 -3.002 1.00 20.42 C ATOM 1915 CD1 TYR A 644 -11.291 2.790 -1.815 1.00 73.22 C ATOM 1916 CD2 TYR A 644 -11.217 0.770 -3.169 1.00 23.13 C ATOM 1917 CE1 TYR A 644 -10.590 2.151 -0.791 1.00 40.01 C ATOM 1918 CE2 TYR A 644 -10.476 0.120 -2.164 1.00 15.50 C ATOM 1919 CZ TYR A 644 -10.187 0.817 -0.973 1.00 40.43 C ATOM 1920 OH TYR A 644 -9.537 0.187 0.022 1.00 43.21 O ATOM 0 H TYR A 644 -13.837 4.211 -5.384 1.00 4.44 H new ATOM 0 HA TYR A 644 -14.239 1.794 -3.951 1.00 31.42 H new ATOM 0 HB2 TYR A 644 -12.150 2.432 -5.032 1.00 1.23 H new ATOM 0 HB3 TYR A 644 -12.047 3.897 -4.076 1.00 1.23 H new ATOM 0 HD1 TYR A 644 -11.601 3.817 -1.690 1.00 73.22 H new ATOM 0 HD2 TYR A 644 -11.494 0.237 -4.067 1.00 23.13 H new ATOM 0 HE1 TYR A 644 -10.361 2.673 0.126 1.00 40.01 H new ATOM 0 HE2 TYR A 644 -10.135 -0.895 -2.303 1.00 15.50 H new ATOM 0 HH TYR A 644 -9.666 0.679 0.860 1.00 43.21 H new ATOM 1930 N ASN A 645 -14.332 4.518 -2.089 1.00 13.02 N ATOM 1931 CA ASN A 645 -14.739 5.013 -0.771 1.00 11.21 C ATOM 1932 C ASN A 645 -16.163 4.604 -0.460 1.00 55.21 C ATOM 1933 O ASN A 645 -16.470 4.239 0.673 1.00 34.53 O ATOM 1934 CB ASN A 645 -14.736 6.534 -0.723 1.00 5.24 C ATOM 1935 CG ASN A 645 -13.358 7.117 -0.609 1.00 2.41 C ATOM 1936 OD1 ASN A 645 -12.467 6.597 0.057 1.00 20.32 O ATOM 1937 ND2 ASN A 645 -13.154 8.219 -1.282 1.00 52.43 N ATOM 0 H ASN A 645 -14.076 5.257 -2.744 1.00 13.02 H new ATOM 0 HA ASN A 645 -14.029 4.592 -0.059 1.00 11.21 H new ATOM 0 HB2 ASN A 645 -15.214 6.921 -1.623 1.00 5.24 H new ATOM 0 HB3 ASN A 645 -15.336 6.866 0.125 1.00 5.24 H new ATOM 0 HD21 ASN A 645 -12.238 8.667 -1.261 1.00 52.43 H new ATOM 0 HD22 ASN A 645 -13.911 8.631 -1.828 1.00 52.43 H new ATOM 1944 N GLY A 646 -17.017 4.700 -1.472 1.00 71.43 N ATOM 1945 CA GLY A 646 -18.372 4.152 -1.481 1.00 3.42 C ATOM 1946 C GLY A 646 -18.436 2.741 -0.878 1.00 13.10 C ATOM 1947 O GLY A 646 -19.301 2.454 -0.045 1.00 33.34 O ATOM 0 H GLY A 646 -16.778 5.178 -2.341 1.00 71.43 H new ATOM 0 HA2 GLY A 646 -19.033 4.814 -0.921 1.00 3.42 H new ATOM 0 HA3 GLY A 646 -18.743 4.124 -2.506 1.00 3.42 H new ATOM 1951 N TYR A 647 -17.514 1.853 -1.253 1.00 41.33 N ATOM 1952 CA TYR A 647 -17.443 0.493 -0.721 1.00 41.32 C ATOM 1953 C TYR A 647 -16.892 0.462 0.708 1.00 14.13 C ATOM 1954 O TYR A 647 -17.306 -0.385 1.495 1.00 52.34 O ATOM 1955 CB TYR A 647 -16.594 -0.387 -1.651 1.00 11.55 C ATOM 1956 CG TYR A 647 -16.959 -0.334 -3.125 1.00 45.53 C ATOM 1957 CD1 TYR A 647 -18.302 -0.196 -3.529 1.00 74.11 C ATOM 1958 CD2 TYR A 647 -15.940 -0.403 -4.098 1.00 24.33 C ATOM 1959 CE1 TYR A 647 -18.620 -0.074 -4.889 1.00 34.21 C ATOM 1960 CE2 TYR A 647 -16.250 -0.308 -5.466 1.00 55.25 C ATOM 1961 CZ TYR A 647 -17.596 -0.111 -5.859 1.00 33.15 C ATOM 1962 OH TYR A 647 -17.917 0.060 -7.169 1.00 63.42 O ATOM 0 H TYR A 647 -16.790 2.060 -1.941 1.00 41.33 H new ATOM 0 HA TYR A 647 -18.458 0.097 -0.678 1.00 41.32 H new ATOM 0 HB2 TYR A 647 -15.549 -0.094 -1.544 1.00 11.55 H new ATOM 0 HB3 TYR A 647 -16.672 -1.421 -1.314 1.00 11.55 H new ATOM 0 HD1 TYR A 647 -19.088 -0.184 -2.789 1.00 74.11 H new ATOM 0 HD2 TYR A 647 -14.913 -0.530 -3.789 1.00 24.33 H new ATOM 0 HE1 TYR A 647 -19.649 0.048 -5.194 1.00 34.21 H new ATOM 0 HE2 TYR A 647 -15.470 -0.384 -6.209 1.00 55.25 H new ATOM 0 HH TYR A 647 -17.104 0.010 -7.714 1.00 63.42 H new ATOM 1972 N LEU A 648 -15.989 1.375 1.076 1.00 41.02 N ATOM 1973 CA LEU A 648 -15.488 1.515 2.439 1.00 72.42 C ATOM 1974 C LEU A 648 -16.539 2.014 3.430 1.00 23.41 C ATOM 1975 O LEU A 648 -16.394 1.731 4.619 1.00 14.42 O ATOM 1976 CB LEU A 648 -14.291 2.469 2.428 1.00 55.02 C ATOM 1977 CG LEU A 648 -12.911 1.801 2.280 1.00 60.22 C ATOM 1978 CD1 LEU A 648 -12.320 1.342 3.619 1.00 54.42 C ATOM 1979 CD2 LEU A 648 -12.880 0.614 1.314 1.00 54.01 C ATOM 0 H LEU A 648 -15.582 2.045 0.424 1.00 41.02 H new ATOM 0 HA LEU A 648 -15.198 0.521 2.780 1.00 72.42 H new ATOM 0 HB2 LEU A 648 -14.421 3.178 1.610 1.00 55.02 H new ATOM 0 HB3 LEU A 648 -14.299 3.045 3.354 1.00 55.02 H new ATOM 0 HG LEU A 648 -12.300 2.600 1.859 1.00 60.22 H new ATOM 0 HD11 LEU A 648 -11.348 0.880 3.448 1.00 54.42 H new ATOM 0 HD12 LEU A 648 -12.202 2.202 4.278 1.00 54.42 H new ATOM 0 HD13 LEU A 648 -12.990 0.618 4.083 1.00 54.42 H new ATOM 0 HD21 LEU A 648 -11.870 0.206 1.272 1.00 54.01 H new ATOM 0 HD22 LEU A 648 -13.569 -0.156 1.662 1.00 54.01 H new ATOM 0 HD23 LEU A 648 -13.179 0.946 0.320 1.00 54.01 H new ATOM 1991 N THR A 649 -17.568 2.749 3.002 1.00 1.24 N ATOM 1992 CA THR A 649 -18.776 2.901 3.816 1.00 12.20 C ATOM 1993 C THR A 649 -19.513 1.565 3.840 1.00 23.32 C ATOM 1994 O THR A 649 -19.786 1.029 4.913 1.00 53.44 O ATOM 1995 CB THR A 649 -19.644 4.136 3.452 1.00 21.34 C ATOM 1996 OG1 THR A 649 -20.980 3.821 3.123 1.00 52.03 O ATOM 1997 CG2 THR A 649 -19.089 5.047 2.358 1.00 34.23 C ATOM 0 H THR A 649 -17.590 3.242 2.109 1.00 1.24 H new ATOM 0 HA THR A 649 -18.489 3.144 4.839 1.00 12.20 H new ATOM 0 HB THR A 649 -19.612 4.690 4.390 1.00 21.34 H new ATOM 0 HG1 THR A 649 -21.513 3.758 3.943 1.00 52.03 H new ATOM 0 HG21 THR A 649 -19.778 5.874 2.189 1.00 34.23 H new ATOM 0 HG22 THR A 649 -18.120 5.439 2.668 1.00 34.23 H new ATOM 0 HG23 THR A 649 -18.972 4.478 1.436 1.00 34.23 H new ATOM 2005 N SER A 650 -19.786 0.998 2.663 1.00 11.32 N ATOM 2006 CA SER A 650 -20.816 -0.018 2.460 1.00 22.40 C ATOM 2007 C SER A 650 -22.107 0.370 3.213 1.00 12.21 C ATOM 2008 O SER A 650 -22.433 -0.211 4.250 1.00 33.24 O ATOM 2009 CB SER A 650 -20.280 -1.440 2.749 1.00 13.42 C ATOM 2010 OG SER A 650 -19.491 -1.524 3.926 1.00 0.13 O ATOM 0 H SER A 650 -19.285 1.239 1.807 1.00 11.32 H new ATOM 0 HA SER A 650 -21.095 -0.054 1.407 1.00 22.40 H new ATOM 0 HB2 SER A 650 -21.123 -2.125 2.838 1.00 13.42 H new ATOM 0 HB3 SER A 650 -19.685 -1.774 1.899 1.00 13.42 H new ATOM 0 HG SER A 650 -19.630 -0.721 4.471 1.00 0.13 H new ATOM 2016 N SER A 651 -22.819 1.371 2.676 1.00 25.44 N ATOM 2017 CA SER A 651 -24.002 2.025 3.236 1.00 5.03 C ATOM 2018 C SER A 651 -23.770 2.423 4.692 1.00 0.03 C ATOM 2019 O SER A 651 -23.115 3.473 4.887 1.00 21.34 O ATOM 2020 CB SER A 651 -25.268 1.188 3.001 1.00 24.10 C ATOM 2021 OG SER A 651 -25.563 1.105 1.609 1.00 51.34 O ATOM 0 H SER A 651 -22.561 1.771 1.774 1.00 25.44 H new ATOM 0 HA SER A 651 -24.176 2.959 2.702 1.00 5.03 H new ATOM 0 HB2 SER A 651 -25.130 0.187 3.409 1.00 24.10 H new ATOM 0 HB3 SER A 651 -26.109 1.635 3.531 1.00 24.10 H new ATOM 0 HG SER A 651 -26.371 0.567 1.477 1.00 51.34 H new TER 2027 SER A 651 END