USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1332 hydrogens (8 hets) HEADER TRANSFERASE 03-OCT-01 1J4K TITLE SOLUTION STRUCTURE OF THE FHA2 DOMAIN OF RAD53 COMPLEXED TITLE 2 WITH A PHOSPHOTYROSYL PEPTIDE DERIVED FROM RAD9 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN KINASE SPK1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL FHA DOMAIN (FHA2); COMPND 5 EC: 2.7.1.-; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA REPAIR PROTEIN RAD9; COMPND 9 CHAIN: P; COMPND 0 FRAGMENT: RESIDUES 826-832; COMPND 1 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 GENE: SPK1 OR RAD53; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-4T; SOURCE 1 MOL_ID: 2; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS PHOSPHOTYROSYL PEPTIDE WAS CHEMICALLY SOURCE 4 SYNTHESIZED. KEYWDS FHA DOMAIN, RAD53, RAD9, PHOSPHOTYROSINE, PHOSPHOPROTEIN, KEYWDS 2 TRANSFERASE EXPDTA SOLUTION NMR AUTHOR I.-J.L.BYEON,S.YONGKIETTRAKUL,M.-D.TSAI REVDAT 3 24-FEB-09 1J4K 1 VERSN REVDAT 2 01-APR-03 1J4K 1 JRNL REVDAT 1 05-DEC-01 1J4K 0 JRNL AUTH I.J.BYEON,S.YONGKIETTRAKUL,M.D.TSAI JRNL TITL SOLUTION STRUCTURE OF THE YEAST RAD53 FHA2 JRNL TITL 2 COMPLEXED WITH A PHOSPHOTHREONINE PEPTIDE PTXXL: JRNL TITL 3 COMPARISON WITH THE STRUCTURES OF FHA2-PYXL AND JRNL TITL 4 FHA1-PTXXD COMPLEXES. JRNL REF J.MOL.BIOL. V. 314 577 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11846568 JRNL DOI 10.1006/JMBI.2001.5141 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.WANG,I.J.BYEON,H.LIAO,K.D.BEEBE,S.YONGKIETTRAKUL, REMARK 1 AUTH 2 D.PEI,M.D.TSAI REMARK 1 TITL II. STRUCTURE AND SPECIFICITY OF THE INTERACTION REMARK 1 TITL 2 BETWEEN THE FHA2 DOMAIN OF RAD53 AND REMARK 1 TITL 3 PHOSPHOTYROSYL PEPTIDES. REMARK 1 REF J.MOL.BIOL. V. 302 927 2000 REMARK 1 REFN ISSN 0022-2836 REMARK 1 DOI 10.1006/JMBI.2000.4095 REMARK 1 REFERENCE 2 REMARK 1 AUTH H.LIAO,I.J.BYEON,M.D.TSAI REMARK 1 TITL STRUCTURE AND FUNCTION OF A NEW REMARK 1 TITL 2 PHOSPHOPEPTIDE-BINDING DOMAIN CONTAINING THE FHA2 REMARK 1 TITL 3 OF RAD53. REMARK 1 REF J.MOL.BIOL. V. 294 1041 1999 REMARK 1 REFN ISSN 0022-2836 REMARK 1 DOI 10.1006/JMBI.1999.3313 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE COMPLEX STRUCTURES ARE GENERATED REMARK 3 USING A TOTAL OF 3398 RESTRAINTS, 3210 DISTANCE RESTRAINTS, REMARK 3 AND 188 TOLOS-DERIVED DIHEDRAL ANGLE RESTRAINTS. REMARK 4 REMARK 4 1J4K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-OCT-01. REMARK 100 THE RCSB ID CODE IS RCSB001604. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293.00 REMARK 210 PH : 6.50 REMARK 210 IONIC STRENGTH : 10 MM SODIUM PHOSPHATE(PH REMARK 210 6.5), 1 MM DTT, AND 1 MM EDTA REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.5 MM FHA2 U-15N,13C 1MM REMARK 210 PHOSPHOTYROSYL PEPTIDE OF REMARK 210 RAD9; 10 MM SODIUM PHOSPHATE REMARK 210 (PH 6.5) , 1 MM DTT, AND 1 MM REMARK 210 EDTA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6, X-PLOR 3.851 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE- RESONANCE REMARK 210 NMR SPECTROSCOPY. 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 PRO A 582 99.03 -47.27 REMARK 500 GLN A 589 56.15 -109.11 REMARK 500 VAL A 621 58.47 -119.70 REMARK 500 TYR A 637 -65.74 69.39 REMARK 500 PRO A 640 -162.72 -73.24 REMARK 500 GLN A 642 -70.79 76.96 REMARK 500 LEU A 644 -160.94 -108.50 REMARK 500 VAL A 656 130.56 49.33 REMARK 500 ASN A 660 -81.65 61.48 REMARK 500 ASN A 704 -46.85 -147.32 REMARK 500 GLU A 705 -50.13 142.87 REMARK 500 LEU A 710 -173.49 -176.83 REMARK 500 ARG A 714 89.74 47.23 REMARK 500 REMARK 500 REMARK: NULL DBREF 1J4K A 573 730 UNP P22216 RAD53_YEAST 573 730 DBREF 1J4K P 826 832 UNP P14737 RAD9_YEAST 826 832 SEQADV 1J4K PTR P 829 UNP P14737 TYR 829 MODIFIED RESIDUE SEQRES 1 A 158 GLY ASN GLY ARG PHE LEU THR LEU LYS PRO LEU PRO ASP SEQRES 2 A 158 SER ILE ILE GLN GLU SER LEU GLU ILE GLN GLN GLY VAL SEQRES 3 A 158 ASN PRO PHE PHE ILE GLY ARG SER GLU ASP CYS ASN CYS SEQRES 4 A 158 LYS ILE GLU ASP ASN ARG LEU SER ARG VAL HIS CYS PHE SEQRES 5 A 158 ILE PHE LYS LYS ARG HIS ALA VAL GLY LYS SER MET TYR SEQRES 6 A 158 GLU SER PRO ALA GLN GLY LEU ASP ASP ILE TRP TYR CYS SEQRES 7 A 158 HIS THR GLY THR ASN VAL SER TYR LEU ASN ASN ASN ARG SEQRES 8 A 158 MET ILE GLN GLY THR LYS PHE LEU LEU GLN ASP GLY ASP SEQRES 9 A 158 GLU ILE LYS ILE ILE TRP ASP LYS ASN ASN LYS PHE VAL SEQRES 10 A 158 ILE GLY PHE LYS VAL GLU ILE ASN ASP THR THR GLY LEU SEQRES 11 A 158 PHE ASN GLU GLY LEU GLY MET LEU GLN GLU GLN ARG VAL SEQRES 12 A 158 VAL LEU LYS GLN THR ALA GLU GLU LYS ASP LEU VAL LYS SEQRES 13 A 158 LYS LEU SEQRES 1 P 7 GLU ASP ILE PTR TYR LEU ASP MODRES 1J4K PTR P 829 TYR O-PHOSPHOTYROSINE HET PTR P 829 24 HETNAM PTR O-PHOSPHOTYROSINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 PTR C9 H12 N O6 P HELIX 1 1 THR A 720 LYS A 729 1 10 SHEET 1 A 6 LEU A 592 ILE A 594 0 SHEET 2 A 6 LEU A 578 PRO A 582 -1 N LEU A 580 O LEU A 592 SHEET 3 A 6 PHE A 692 ILE A 696 -1 O GLU A 695 N THR A 579 SHEET 4 A 6 ASP A 676 LYS A 679 -1 N ASP A 676 O VAL A 694 SHEET 5 A 6 SER A 657 LEU A 659 -1 N TYR A 658 O LYS A 679 SHEET 6 A 6 ASN A 662 MET A 664 -1 O ASN A 662 N LEU A 659 SHEET 1 B 6 CYS A 611 LYS A 612 0 SHEET 2 B 6 PHE A 601 GLY A 604 1 N GLY A 604 O CYS A 611 SHEET 3 B 6 CYS A 623 HIS A 630 -1 O CYS A 623 N ILE A 603 SHEET 4 B 6 LEU A 644 HIS A 651 -1 O ASP A 646 N LYS A 628 SHEET 5 B 6 THR A 668 LEU A 671 -1 O PHE A 670 N TYR A 649 SHEET 6 B 6 LEU A 717 LYS A 718 -1 O LEU A 717 N LYS A 669 LINK C ILE P 828 N PTR P 829 1555 1555 1.33 LINK C PTR P 829 N TYR P 830 1555 1555 1.33 CISPEP 1 ASN A 599 PRO A 600 0 -0.39 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: P 829 PTR HN2 : P 829 PTR N : P 828 ILE C :(H bumps) USER MOD NoAdj-H: P 829 PTR H : P 829 PTR N : P 828 ILE C :(H bumps) USER MOD Set 1.1: A 654 THR OG1 : rot -15:sc= 0.272 USER MOD Set 1.2: A 666 GLN :FLIP amide:sc= -0.567 F(o=-0.81!,f=-0.3) USER MOD Set 2.1: A 622 HIS : no HD1:sc= -11.4! C(o=-16!,f=-20!) USER MOD Set 2.2: A 623 CYS SG : rot 127:sc= 0.939 USER MOD Set 2.3: A 649 TYR OH : rot 146:sc= 1.07 USER MOD Set 2.4: A 651 HIS : no HD1:sc= -5.88 K(o=-16,f=-23!) USER MOD Set 2.5: A 657 SER OG : rot -122:sc= -0.482 USER MOD Single : A 574 ASN : amide:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 579 THR OG1 : rot 77:sc= -0.923 USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot 180:sc= -4.15! USER MOD Single : A 589 GLN :FLIP amide:sc= -2.18 F(o=-3.9!,f=-2.2) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 595 GLN :FLIP amide:sc= -0.274 F(o=-2.5,f=-0.27) USER MOD Single : A 596 GLN : amide:sc= -5.39! C(o=-5.4!,f=-13!) USER MOD Single : A 599 ASN : amide:sc= 0.737 K(o=0.74,f=-9!) USER MOD Single : A 606 SER OG : rot -139:sc= -1.7 USER MOD Single : A 609 CYS SG : rot 135:sc= -0.427 USER MOD Single : A 610 ASN : amide:sc= -1.47 K(o=-1.5,f=-7.2!) USER MOD Single : A 611 CYS SG : rot -17:sc= -13.9! USER MOD Single : A 612 LYS NZ :NH3+ 161:sc= 0.00978 (180deg=0) USER MOD Single : A 616 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 627 LYS NZ :NH3+ 167:sc= 0.122 (180deg=0.0872) USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 HIS :FLIP no HD1:sc= -1.64 F(o=-4.4!,f=-1.6) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 635 SER OG : rot 51:sc= 0.0704 USER MOD Single : A 636 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 637 TYR OH : rot 180:sc= 0 USER MOD Single : A 639 SER OG : rot 180:sc= 0 USER MOD Single : A 642 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.031) USER MOD Single : A 650 CYS SG : rot 144:sc= -3.66 USER MOD Single : A 652 THR OG1 : rot 56:sc= 1.2 USER MOD Single : A 655 ASN : amide:sc= -3.63 K(o=-3.6,f=-8.6!) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 660 ASN : amide:sc= -0.177 K(o=-0.18,f=-4.6!) USER MOD Single : A 661 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.3!) USER MOD Single : A 662 ASN : amide:sc= -3.35! C(o=-3.4!,f=-4.9!) USER MOD Single : A 664 MET CE :methyl -112:sc= -5.34! (180deg=-11.4!) USER MOD Single : A 668 THR OG1 : rot -94:sc= 1.08 USER MOD Single : A 669 LYS NZ :NH3+ -168:sc= -0.0605 (180deg=-0.386) USER MOD Single : A 673 GLN :FLIP amide:sc= -3.9 F(o=-5.3!,f=-3.9) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 686 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.7!) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.9) USER MOD Single : A 699 THR OG1 : rot -19:sc= 0.773! USER MOD Single : A 700 THR OG1 : rot 100:sc= -0.395 USER MOD Single : A 704 ASN :FLIP amide:sc= -6.18! C(o=-12!,f=-6.2!) USER MOD Single : A 709 MET CE :methyl 124:sc= -3.89! (180deg=-4.8!) USER MOD Single : A 711 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 713 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 719 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.1) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 830 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 573 -16.643 11.301 -11.699 1.00 3.83 N ATOM 2 CA GLY A 573 -16.783 10.911 -13.090 1.00 3.01 C ATOM 3 C GLY A 573 -17.988 10.022 -13.324 1.00 2.21 C ATOM 4 O GLY A 573 -19.088 10.320 -12.857 1.00 2.24 O ATOM 0 HA2 GLY A 573 -16.869 11.805 -13.708 1.00 3.01 H new ATOM 0 HA3 GLY A 573 -15.882 10.388 -13.410 1.00 3.01 H new ATOM 8 N ASN A 574 -17.783 8.927 -14.047 1.00 1.92 N ATOM 9 CA ASN A 574 -18.862 7.993 -14.341 1.00 1.63 C ATOM 10 C ASN A 574 -18.809 6.782 -13.413 1.00 1.03 C ATOM 11 O ASN A 574 -19.814 6.101 -13.209 1.00 1.37 O ATOM 12 CB ASN A 574 -18.786 7.536 -15.799 1.00 2.44 C ATOM 13 CG ASN A 574 -20.120 7.035 -16.318 1.00 3.23 C ATOM 14 OD1 ASN A 574 -20.251 5.873 -16.705 1.00 3.80 O ATOM 15 ND2 ASN A 574 -21.117 7.911 -16.329 1.00 3.79 N ATOM 0 H ASN A 574 -16.879 8.665 -14.440 1.00 1.92 H new ATOM 0 HA ASN A 574 -19.807 8.510 -14.177 1.00 1.63 H new ATOM 0 HB2 ASN A 574 -18.446 8.365 -16.420 1.00 2.44 H new ATOM 0 HB3 ASN A 574 -18.043 6.744 -15.890 1.00 2.44 H new ATOM 0 HD21 ASN A 574 -22.038 7.632 -16.668 1.00 3.79 H new ATOM 0 HD22 ASN A 574 -20.963 8.864 -15.999 1.00 3.79 H new ATOM 22 N GLY A 575 -17.631 6.515 -12.856 1.00 0.69 N ATOM 23 CA GLY A 575 -17.473 5.386 -11.962 1.00 0.56 C ATOM 24 C GLY A 575 -16.153 4.665 -12.165 1.00 0.47 C ATOM 25 O GLY A 575 -15.734 3.873 -11.322 1.00 0.51 O ATOM 0 H GLY A 575 -16.784 7.062 -13.009 1.00 0.69 H new ATOM 0 HA2 GLY A 575 -17.540 5.731 -10.930 1.00 0.56 H new ATOM 0 HA3 GLY A 575 -18.294 4.686 -12.118 1.00 0.56 H new ATOM 29 N ARG A 576 -15.499 4.933 -13.291 1.00 0.39 N ATOM 30 CA ARG A 576 -14.230 4.297 -13.615 1.00 0.34 C ATOM 31 C ARG A 576 -13.077 5.292 -13.602 1.00 0.35 C ATOM 32 O ARG A 576 -13.227 6.440 -14.016 1.00 0.52 O ATOM 33 CB ARG A 576 -14.312 3.632 -14.986 1.00 0.34 C ATOM 34 CG ARG A 576 -13.065 2.845 -15.349 1.00 0.41 C ATOM 35 CD ARG A 576 -12.614 3.142 -16.769 1.00 0.71 C ATOM 36 NE ARG A 576 -13.723 3.080 -17.719 1.00 0.99 N ATOM 37 CZ ARG A 576 -13.664 3.551 -18.962 1.00 0.95 C ATOM 38 NH1 ARG A 576 -12.553 4.121 -19.411 1.00 1.48 N ATOM 39 NH2 ARG A 576 -14.719 3.454 -19.758 1.00 1.30 N ATOM 0 H ARG A 576 -15.831 5.590 -13.997 1.00 0.39 H new ATOM 0 HA ARG A 576 -14.037 3.546 -12.849 1.00 0.34 H new ATOM 0 HB2 ARG A 576 -15.173 2.964 -15.007 1.00 0.34 H new ATOM 0 HB3 ARG A 576 -14.483 4.397 -15.743 1.00 0.34 H new ATOM 0 HG2 ARG A 576 -12.263 3.090 -14.653 1.00 0.41 H new ATOM 0 HG3 ARG A 576 -13.263 1.778 -15.244 1.00 0.41 H new ATOM 0 HD2 ARG A 576 -12.160 4.132 -16.806 1.00 0.71 H new ATOM 0 HD3 ARG A 576 -11.845 2.428 -17.062 1.00 0.71 H new ATOM 0 HE ARG A 576 -14.595 2.650 -17.410 1.00 0.99 H new ATOM 0 HH11 ARG A 576 -11.738 4.200 -18.802 1.00 1.48 H new ATOM 0 HH12 ARG A 576 -12.514 4.480 -20.365 1.00 1.48 H new ATOM 0 HH21 ARG A 576 -15.576 3.018 -19.418 1.00 1.30 H new ATOM 0 HH22 ARG A 576 -14.674 3.815 -20.711 1.00 1.30 H new ATOM 53 N PHE A 577 -11.920 4.830 -13.138 1.00 0.28 N ATOM 54 CA PHE A 577 -10.727 5.666 -13.085 1.00 0.28 C ATOM 55 C PHE A 577 -9.646 5.107 -14.005 1.00 0.25 C ATOM 56 O PHE A 577 -9.010 5.847 -14.757 1.00 0.35 O ATOM 57 CB PHE A 577 -10.196 5.759 -11.649 1.00 0.29 C ATOM 58 CG PHE A 577 -8.736 6.109 -11.562 1.00 0.38 C ATOM 59 CD1 PHE A 577 -7.773 5.116 -11.580 1.00 0.67 C ATOM 60 CD2 PHE A 577 -8.330 7.429 -11.474 1.00 0.75 C ATOM 61 CE1 PHE A 577 -6.430 5.433 -11.514 1.00 0.81 C ATOM 62 CE2 PHE A 577 -6.989 7.753 -11.405 1.00 0.88 C ATOM 63 CZ PHE A 577 -6.037 6.753 -11.425 1.00 0.76 C ATOM 0 H PHE A 577 -11.784 3.880 -12.793 1.00 0.28 H new ATOM 0 HA PHE A 577 -10.996 6.667 -13.423 1.00 0.28 H new ATOM 0 HB2 PHE A 577 -10.772 6.508 -11.106 1.00 0.29 H new ATOM 0 HB3 PHE A 577 -10.362 4.805 -11.148 1.00 0.29 H new ATOM 0 HD1 PHE A 577 -8.075 4.081 -11.646 1.00 0.67 H new ATOM 0 HD2 PHE A 577 -9.070 8.215 -11.459 1.00 0.75 H new ATOM 0 HE1 PHE A 577 -5.688 4.648 -11.532 1.00 0.81 H new ATOM 0 HE2 PHE A 577 -6.685 8.787 -11.335 1.00 0.88 H new ATOM 0 HZ PHE A 577 -4.988 7.003 -11.371 1.00 0.76 H new ATOM 73 N LEU A 578 -9.440 3.795 -13.937 1.00 0.17 N ATOM 74 CA LEU A 578 -8.435 3.137 -14.760 1.00 0.15 C ATOM 75 C LEU A 578 -9.072 2.085 -15.649 1.00 0.14 C ATOM 76 O LEU A 578 -9.998 1.386 -15.239 1.00 0.18 O ATOM 77 CB LEU A 578 -7.366 2.493 -13.881 1.00 0.19 C ATOM 78 CG LEU A 578 -6.030 2.241 -14.576 1.00 0.35 C ATOM 79 CD1 LEU A 578 -5.232 3.527 -14.658 1.00 1.11 C ATOM 80 CD2 LEU A 578 -5.241 1.168 -13.843 1.00 1.09 C ATOM 0 H LEU A 578 -9.956 3.168 -13.320 1.00 0.17 H new ATOM 0 HA LEU A 578 -7.968 3.892 -15.392 1.00 0.15 H new ATOM 0 HB2 LEU A 578 -7.194 3.133 -13.015 1.00 0.19 H new ATOM 0 HB3 LEU A 578 -7.748 1.544 -13.505 1.00 0.19 H new ATOM 0 HG LEU A 578 -6.225 1.888 -15.589 1.00 0.35 H new ATOM 0 HD11 LEU A 578 -4.282 3.334 -15.156 1.00 1.11 H new ATOM 0 HD12 LEU A 578 -5.795 4.269 -15.225 1.00 1.11 H new ATOM 0 HD13 LEU A 578 -5.045 3.904 -13.652 1.00 1.11 H new ATOM 0 HD21 LEU A 578 -4.292 1.002 -14.353 1.00 1.09 H new ATOM 0 HD22 LEU A 578 -5.051 1.491 -12.819 1.00 1.09 H new ATOM 0 HD23 LEU A 578 -5.813 0.240 -13.830 1.00 1.09 H new ATOM 92 N THR A 579 -8.570 1.977 -16.870 1.00 0.15 N ATOM 93 CA THR A 579 -9.092 1.010 -17.818 1.00 0.14 C ATOM 94 C THR A 579 -8.016 0.021 -18.243 1.00 0.13 C ATOM 95 O THR A 579 -7.052 0.388 -18.914 1.00 0.14 O ATOM 96 CB THR A 579 -9.656 1.703 -19.072 1.00 0.18 C ATOM 97 OG1 THR A 579 -10.406 2.864 -18.696 1.00 0.23 O ATOM 98 CG2 THR A 579 -10.546 0.754 -19.861 1.00 0.25 C ATOM 0 H THR A 579 -7.803 2.547 -17.225 1.00 0.15 H new ATOM 0 HA THR A 579 -9.896 0.475 -17.313 1.00 0.14 H new ATOM 0 HB THR A 579 -8.818 2.000 -19.702 1.00 0.18 H new ATOM 0 HG1 THR A 579 -9.790 3.592 -18.471 1.00 0.23 H new ATOM 0 HG21 THR A 579 -10.933 1.266 -20.742 1.00 0.25 H new ATOM 0 HG22 THR A 579 -9.966 -0.115 -20.172 1.00 0.25 H new ATOM 0 HG23 THR A 579 -11.378 0.430 -19.235 1.00 0.25 H new ATOM 106 N LEU A 580 -8.211 -1.241 -17.886 1.00 0.15 N ATOM 107 CA LEU A 580 -7.284 -2.289 -18.268 1.00 0.16 C ATOM 108 C LEU A 580 -7.917 -3.032 -19.416 1.00 0.15 C ATOM 109 O LEU A 580 -8.917 -3.719 -19.229 1.00 0.18 O ATOM 110 CB LEU A 580 -7.030 -3.247 -17.101 1.00 0.22 C ATOM 111 CG LEU A 580 -5.852 -2.884 -16.200 1.00 0.40 C ATOM 112 CD1 LEU A 580 -5.910 -3.676 -14.904 1.00 0.85 C ATOM 113 CD2 LEU A 580 -4.536 -3.135 -16.920 1.00 0.92 C ATOM 0 H LEU A 580 -9.005 -1.561 -17.332 1.00 0.15 H new ATOM 0 HA LEU A 580 -6.322 -1.862 -18.552 1.00 0.16 H new ATOM 0 HB2 LEU A 580 -7.931 -3.295 -16.490 1.00 0.22 H new ATOM 0 HB3 LEU A 580 -6.864 -4.246 -17.503 1.00 0.22 H new ATOM 0 HG LEU A 580 -5.916 -1.823 -15.958 1.00 0.40 H new ATOM 0 HD11 LEU A 580 -5.063 -3.405 -14.274 1.00 0.85 H new ATOM 0 HD12 LEU A 580 -6.839 -3.450 -14.381 1.00 0.85 H new ATOM 0 HD13 LEU A 580 -5.870 -4.742 -15.127 1.00 0.85 H new ATOM 0 HD21 LEU A 580 -3.706 -2.871 -16.264 1.00 0.92 H new ATOM 0 HD22 LEU A 580 -4.464 -4.189 -17.190 1.00 0.92 H new ATOM 0 HD23 LEU A 580 -4.493 -2.525 -17.823 1.00 0.92 H new ATOM 125 N LYS A 581 -7.388 -2.855 -20.612 1.00 0.15 N ATOM 126 CA LYS A 581 -8.006 -3.487 -21.768 1.00 0.16 C ATOM 127 C LYS A 581 -7.146 -4.541 -22.448 1.00 0.16 C ATOM 128 O LYS A 581 -6.280 -4.217 -23.261 1.00 0.16 O ATOM 129 CB LYS A 581 -8.404 -2.422 -22.789 1.00 0.20 C ATOM 130 CG LYS A 581 -7.297 -1.427 -23.098 1.00 0.93 C ATOM 131 CD LYS A 581 -7.637 -0.572 -24.307 1.00 1.09 C ATOM 132 CE LYS A 581 -8.890 0.257 -24.069 1.00 1.12 C ATOM 133 NZ LYS A 581 -9.408 0.855 -25.331 1.00 1.90 N ATOM 0 H LYS A 581 -6.557 -2.297 -20.809 1.00 0.15 H new ATOM 0 HA LYS A 581 -8.880 -4.012 -21.383 1.00 0.16 H new ATOM 0 HB2 LYS A 581 -8.707 -2.913 -23.714 1.00 0.20 H new ATOM 0 HB3 LYS A 581 -9.273 -1.881 -22.416 1.00 0.20 H new ATOM 0 HG2 LYS A 581 -7.131 -0.785 -22.233 1.00 0.93 H new ATOM 0 HG3 LYS A 581 -6.366 -1.963 -23.281 1.00 0.93 H new ATOM 0 HD2 LYS A 581 -6.800 0.089 -24.534 1.00 1.09 H new ATOM 0 HD3 LYS A 581 -7.783 -1.212 -25.177 1.00 1.09 H new ATOM 0 HE2 LYS A 581 -9.661 -0.370 -23.621 1.00 1.12 H new ATOM 0 HE3 LYS A 581 -8.670 1.050 -23.355 1.00 1.12 H new ATOM 0 HZ1 LYS A 581 -10.262 1.412 -25.126 1.00 1.90 H new ATOM 0 HZ2 LYS A 581 -8.682 1.474 -25.745 1.00 1.90 H new ATOM 0 HZ3 LYS A 581 -9.642 0.097 -26.004 1.00 1.90 H new ATOM 147 N PRO A 582 -7.415 -5.835 -22.170 1.00 0.16 N ATOM 148 CA PRO A 582 -6.696 -6.929 -22.817 1.00 0.17 C ATOM 149 C PRO A 582 -6.635 -6.684 -24.324 1.00 0.17 C ATOM 150 O PRO A 582 -7.611 -6.908 -25.042 1.00 0.18 O ATOM 151 CB PRO A 582 -7.544 -8.166 -22.500 1.00 0.19 C ATOM 152 CG PRO A 582 -8.339 -7.815 -21.281 1.00 0.21 C ATOM 153 CD PRO A 582 -8.460 -6.314 -21.241 1.00 0.19 C ATOM 0 HA PRO A 582 -5.667 -7.034 -22.473 1.00 0.17 H new ATOM 0 HB2 PRO A 582 -8.199 -8.416 -23.335 1.00 0.19 H new ATOM 0 HB3 PRO A 582 -6.913 -9.036 -22.318 1.00 0.19 H new ATOM 0 HG2 PRO A 582 -9.325 -8.279 -21.318 1.00 0.21 H new ATOM 0 HG3 PRO A 582 -7.847 -8.185 -20.382 1.00 0.21 H new ATOM 0 HD2 PRO A 582 -9.451 -5.987 -21.555 1.00 0.19 H new ATOM 0 HD3 PRO A 582 -8.302 -5.930 -20.233 1.00 0.19 H new ATOM 161 N LEU A 583 -5.502 -6.165 -24.780 1.00 0.19 N ATOM 162 CA LEU A 583 -5.317 -5.813 -26.187 1.00 0.20 C ATOM 163 C LEU A 583 -5.117 -7.025 -27.094 1.00 0.21 C ATOM 164 O LEU A 583 -4.734 -8.105 -26.644 1.00 0.23 O ATOM 165 CB LEU A 583 -4.142 -4.849 -26.345 1.00 0.24 C ATOM 166 CG LEU A 583 -2.951 -5.098 -25.416 1.00 0.25 C ATOM 167 CD1 LEU A 583 -1.640 -4.841 -26.144 1.00 0.66 C ATOM 168 CD2 LEU A 583 -3.051 -4.224 -24.172 1.00 0.53 C ATOM 0 H LEU A 583 -4.690 -5.976 -24.192 1.00 0.19 H new ATOM 0 HA LEU A 583 -6.242 -5.330 -26.504 1.00 0.20 H new ATOM 0 HB2 LEU A 583 -3.792 -4.898 -27.376 1.00 0.24 H new ATOM 0 HB3 LEU A 583 -4.503 -3.834 -26.179 1.00 0.24 H new ATOM 0 HG LEU A 583 -2.972 -6.143 -25.106 1.00 0.25 H new ATOM 0 HD11 LEU A 583 -0.806 -5.023 -25.467 1.00 0.66 H new ATOM 0 HD12 LEU A 583 -1.563 -5.509 -27.002 1.00 0.66 H new ATOM 0 HD13 LEU A 583 -1.610 -3.806 -26.486 1.00 0.66 H new ATOM 0 HD21 LEU A 583 -2.196 -4.415 -23.524 1.00 0.53 H new ATOM 0 HD22 LEU A 583 -3.057 -3.174 -24.465 1.00 0.53 H new ATOM 0 HD23 LEU A 583 -3.971 -4.457 -23.637 1.00 0.53 H new ATOM 180 N PRO A 584 -5.390 -6.842 -28.404 1.00 0.22 N ATOM 181 CA PRO A 584 -5.260 -7.894 -29.417 1.00 0.25 C ATOM 182 C PRO A 584 -3.919 -8.610 -29.351 1.00 0.30 C ATOM 183 O PRO A 584 -3.808 -9.768 -29.752 1.00 0.35 O ATOM 184 CB PRO A 584 -5.406 -7.148 -30.755 1.00 0.29 C ATOM 185 CG PRO A 584 -5.358 -5.695 -30.415 1.00 0.50 C ATOM 186 CD PRO A 584 -5.852 -5.584 -29.004 1.00 0.23 C ATOM 0 HA PRO A 584 -6.006 -8.676 -29.273 1.00 0.25 H new ATOM 0 HB2 PRO A 584 -4.603 -7.416 -31.442 1.00 0.29 H new ATOM 0 HB3 PRO A 584 -6.345 -7.404 -31.246 1.00 0.29 H new ATOM 0 HG2 PRO A 584 -4.344 -5.307 -30.505 1.00 0.50 H new ATOM 0 HG3 PRO A 584 -5.983 -5.115 -31.094 1.00 0.50 H new ATOM 0 HD2 PRO A 584 -5.435 -4.715 -28.495 1.00 0.23 H new ATOM 0 HD3 PRO A 584 -6.937 -5.488 -28.961 1.00 0.23 H new ATOM 194 N ASP A 585 -2.903 -7.932 -28.826 1.00 0.34 N ATOM 195 CA ASP A 585 -1.586 -8.543 -28.700 1.00 0.42 C ATOM 196 C ASP A 585 -1.686 -9.752 -27.779 1.00 0.44 C ATOM 197 O ASP A 585 -0.933 -10.716 -27.906 1.00 0.49 O ATOM 198 CB ASP A 585 -0.575 -7.536 -28.149 1.00 0.48 C ATOM 199 CG ASP A 585 0.823 -7.766 -28.689 1.00 0.92 C ATOM 200 OD1 ASP A 585 1.122 -8.909 -29.096 1.00 1.67 O ATOM 201 OD2 ASP A 585 1.619 -6.805 -28.705 1.00 1.54 O ATOM 0 H ASP A 585 -2.965 -6.973 -28.485 1.00 0.34 H new ATOM 0 HA ASP A 585 -1.241 -8.861 -29.684 1.00 0.42 H new ATOM 0 HB2 ASP A 585 -0.898 -6.526 -28.402 1.00 0.48 H new ATOM 0 HB3 ASP A 585 -0.557 -7.602 -27.061 1.00 0.48 H new ATOM 206 N SER A 586 -2.654 -9.691 -26.870 1.00 0.40 N ATOM 207 CA SER A 586 -2.913 -10.771 -25.934 1.00 0.43 C ATOM 208 C SER A 586 -4.017 -11.666 -26.475 1.00 0.40 C ATOM 209 O SER A 586 -4.858 -11.219 -27.253 1.00 0.38 O ATOM 210 CB SER A 586 -3.319 -10.207 -24.573 1.00 0.46 C ATOM 211 OG SER A 586 -3.938 -11.198 -23.771 1.00 0.82 O ATOM 0 H SER A 586 -3.278 -8.891 -26.764 1.00 0.40 H new ATOM 0 HA SER A 586 -2.003 -11.358 -25.811 1.00 0.43 H new ATOM 0 HB2 SER A 586 -2.439 -9.818 -24.060 1.00 0.46 H new ATOM 0 HB3 SER A 586 -4.002 -9.370 -24.713 1.00 0.46 H new ATOM 0 HG SER A 586 -4.186 -10.811 -22.906 1.00 0.82 H new ATOM 217 N ILE A 587 -4.018 -12.925 -26.061 1.00 0.44 N ATOM 218 CA ILE A 587 -5.037 -13.866 -26.514 1.00 0.46 C ATOM 219 C ILE A 587 -6.446 -13.351 -26.192 1.00 0.42 C ATOM 220 O ILE A 587 -7.438 -13.898 -26.672 1.00 0.45 O ATOM 221 CB ILE A 587 -4.834 -15.269 -25.889 1.00 0.52 C ATOM 222 CG1 ILE A 587 -5.415 -15.331 -24.470 1.00 0.86 C ATOM 223 CG2 ILE A 587 -3.355 -15.631 -25.872 1.00 1.11 C ATOM 224 CD1 ILE A 587 -5.181 -16.656 -23.774 1.00 1.08 C ATOM 0 H ILE A 587 -3.331 -13.318 -25.417 1.00 0.44 H new ATOM 0 HA ILE A 587 -4.933 -13.954 -27.595 1.00 0.46 H new ATOM 0 HB ILE A 587 -5.367 -15.994 -26.504 1.00 0.52 H new ATOM 0 HG12 ILE A 587 -4.975 -14.533 -23.871 1.00 0.86 H new ATOM 0 HG13 ILE A 587 -6.487 -15.140 -24.517 1.00 0.86 H new ATOM 0 HG21 ILE A 587 -3.227 -16.619 -25.430 1.00 1.11 H new ATOM 0 HG22 ILE A 587 -2.970 -15.637 -26.892 1.00 1.11 H new ATOM 0 HG23 ILE A 587 -2.807 -14.896 -25.282 1.00 1.11 H new ATOM 0 HD11 ILE A 587 -5.619 -16.625 -22.776 1.00 1.08 H new ATOM 0 HD12 ILE A 587 -5.645 -17.456 -24.350 1.00 1.08 H new ATOM 0 HD13 ILE A 587 -4.110 -16.841 -23.694 1.00 1.08 H new ATOM 236 N ILE A 588 -6.524 -12.301 -25.371 1.00 0.41 N ATOM 237 CA ILE A 588 -7.807 -11.722 -24.983 1.00 0.40 C ATOM 238 C ILE A 588 -8.021 -10.345 -25.618 1.00 0.33 C ATOM 239 O ILE A 588 -7.208 -9.437 -25.444 1.00 0.42 O ATOM 240 CB ILE A 588 -7.904 -11.592 -23.448 1.00 0.52 C ATOM 241 CG1 ILE A 588 -7.624 -12.943 -22.786 1.00 1.10 C ATOM 242 CG2 ILE A 588 -9.269 -11.066 -23.032 1.00 0.78 C ATOM 243 CD1 ILE A 588 -7.060 -12.827 -21.388 1.00 1.32 C ATOM 0 H ILE A 588 -5.713 -11.836 -24.964 1.00 0.41 H new ATOM 0 HA ILE A 588 -8.584 -12.396 -25.344 1.00 0.40 H new ATOM 0 HB ILE A 588 -7.153 -10.876 -23.116 1.00 0.52 H new ATOM 0 HG12 ILE A 588 -8.549 -13.519 -22.749 1.00 1.10 H new ATOM 0 HG13 ILE A 588 -6.924 -13.504 -23.406 1.00 1.10 H new ATOM 0 HG21 ILE A 588 -9.312 -10.984 -21.946 1.00 0.78 H new ATOM 0 HG22 ILE A 588 -9.432 -10.084 -23.477 1.00 0.78 H new ATOM 0 HG23 ILE A 588 -10.043 -11.753 -23.374 1.00 0.78 H new ATOM 0 HD11 ILE A 588 -6.887 -13.824 -20.982 1.00 1.32 H new ATOM 0 HD12 ILE A 588 -6.118 -12.279 -21.420 1.00 1.32 H new ATOM 0 HD13 ILE A 588 -7.768 -12.294 -20.753 1.00 1.32 H new ATOM 255 N GLN A 589 -9.128 -10.199 -26.346 1.00 0.24 N ATOM 256 CA GLN A 589 -9.464 -8.935 -27.003 1.00 0.24 C ATOM 257 C GLN A 589 -10.653 -8.277 -26.304 1.00 0.26 C ATOM 258 O GLN A 589 -11.678 -7.990 -26.923 1.00 0.33 O ATOM 259 CB GLN A 589 -9.795 -9.174 -28.479 1.00 0.29 C ATOM 260 CG GLN A 589 -8.597 -9.040 -29.401 1.00 0.69 C ATOM 261 CD GLN A 589 -7.827 -10.339 -29.546 1.00 0.42 C ATOM 262 OE1 GLN A 589 -6.978 -10.634 -28.570 1.00 1.12 O flip ATOM 263 NE2 GLN A 589 -7.994 -11.067 -30.525 1.00 0.46 N flip ATOM 0 H GLN A 589 -9.810 -10.943 -26.496 1.00 0.24 H new ATOM 0 HA GLN A 589 -8.602 -8.271 -26.938 1.00 0.24 H new ATOM 0 HB2 GLN A 589 -10.219 -10.172 -28.590 1.00 0.29 H new ATOM 0 HB3 GLN A 589 -10.563 -8.465 -28.790 1.00 0.29 H new ATOM 0 HG2 GLN A 589 -8.934 -8.710 -30.384 1.00 0.69 H new ATOM 0 HG3 GLN A 589 -7.931 -8.268 -29.016 1.00 0.69 H new ATOM 0 HE21 GLN A 589 -8.658 -10.800 -31.252 1.00 0.46 H new ATOM 0 HE22 GLN A 589 -7.468 -11.937 -30.609 1.00 0.46 H new ATOM 272 N GLU A 590 -10.504 -8.057 -25.005 1.00 0.24 N ATOM 273 CA GLU A 590 -11.558 -7.450 -24.193 1.00 0.27 C ATOM 274 C GLU A 590 -11.047 -6.212 -23.467 1.00 0.23 C ATOM 275 O GLU A 590 -9.849 -5.936 -23.477 1.00 0.20 O ATOM 276 CB GLU A 590 -12.097 -8.463 -23.180 1.00 0.33 C ATOM 277 CG GLU A 590 -12.571 -9.762 -23.812 1.00 0.46 C ATOM 278 CD GLU A 590 -14.001 -10.104 -23.441 1.00 1.16 C ATOM 279 OE1 GLU A 590 -14.216 -10.631 -22.329 1.00 1.76 O ATOM 280 OE2 GLU A 590 -14.906 -9.845 -24.262 1.00 2.01 O ATOM 0 H GLU A 590 -9.658 -8.291 -24.485 1.00 0.24 H new ATOM 0 HA GLU A 590 -12.364 -7.147 -24.861 1.00 0.27 H new ATOM 0 HB2 GLU A 590 -11.317 -8.686 -22.452 1.00 0.33 H new ATOM 0 HB3 GLU A 590 -12.925 -8.012 -22.633 1.00 0.33 H new ATOM 0 HG2 GLU A 590 -12.489 -9.685 -24.896 1.00 0.46 H new ATOM 0 HG3 GLU A 590 -11.915 -10.574 -23.500 1.00 0.46 H new ATOM 287 N SER A 591 -11.957 -5.472 -22.833 1.00 0.27 N ATOM 288 CA SER A 591 -11.579 -4.277 -22.087 1.00 0.24 C ATOM 289 C SER A 591 -12.129 -4.316 -20.664 1.00 0.27 C ATOM 290 O SER A 591 -13.309 -4.594 -20.446 1.00 0.38 O ATOM 291 CB SER A 591 -12.058 -3.006 -22.785 1.00 0.30 C ATOM 292 OG SER A 591 -12.752 -3.303 -23.984 1.00 0.76 O ATOM 0 H SER A 591 -12.956 -5.680 -22.822 1.00 0.27 H new ATOM 0 HA SER A 591 -10.490 -4.262 -22.045 1.00 0.24 H new ATOM 0 HB2 SER A 591 -12.710 -2.445 -22.115 1.00 0.30 H new ATOM 0 HB3 SER A 591 -11.203 -2.367 -23.007 1.00 0.30 H new ATOM 0 HG SER A 591 -13.047 -2.469 -24.406 1.00 0.76 H new ATOM 298 N LEU A 592 -11.262 -4.026 -19.702 1.00 0.24 N ATOM 299 CA LEU A 592 -11.639 -4.012 -18.294 1.00 0.29 C ATOM 300 C LEU A 592 -11.585 -2.587 -17.751 1.00 0.24 C ATOM 301 O LEU A 592 -10.697 -1.814 -18.109 1.00 0.26 O ATOM 302 CB LEU A 592 -10.709 -4.914 -17.474 1.00 0.39 C ATOM 303 CG LEU A 592 -10.104 -6.099 -18.231 1.00 0.62 C ATOM 304 CD1 LEU A 592 -8.708 -6.406 -17.713 1.00 1.64 C ATOM 305 CD2 LEU A 592 -11.000 -7.322 -18.109 1.00 0.62 C ATOM 0 H LEU A 592 -10.283 -3.795 -19.874 1.00 0.24 H new ATOM 0 HA LEU A 592 -12.657 -4.392 -18.209 1.00 0.29 H new ATOM 0 HB2 LEU A 592 -9.896 -4.305 -17.079 1.00 0.39 H new ATOM 0 HB3 LEU A 592 -11.265 -5.298 -16.618 1.00 0.39 H new ATOM 0 HG LEU A 592 -10.028 -5.832 -19.285 1.00 0.62 H new ATOM 0 HD11 LEU A 592 -8.294 -7.251 -18.263 1.00 1.64 H new ATOM 0 HD12 LEU A 592 -8.069 -5.534 -17.852 1.00 1.64 H new ATOM 0 HD13 LEU A 592 -8.760 -6.653 -16.653 1.00 1.64 H new ATOM 0 HD21 LEU A 592 -10.555 -8.155 -18.653 1.00 0.62 H new ATOM 0 HD22 LEU A 592 -11.107 -7.591 -17.058 1.00 0.62 H new ATOM 0 HD23 LEU A 592 -11.981 -7.098 -18.528 1.00 0.62 H new ATOM 317 N GLU A 593 -12.541 -2.238 -16.898 1.00 0.23 N ATOM 318 CA GLU A 593 -12.592 -0.895 -16.328 1.00 0.23 C ATOM 319 C GLU A 593 -12.592 -0.935 -14.799 1.00 0.21 C ATOM 320 O GLU A 593 -13.574 -1.353 -14.184 1.00 0.25 O ATOM 321 CB GLU A 593 -13.838 -0.154 -16.827 1.00 0.32 C ATOM 322 CG GLU A 593 -14.329 -0.622 -18.189 1.00 0.35 C ATOM 323 CD GLU A 593 -15.450 -1.638 -18.086 1.00 0.87 C ATOM 324 OE1 GLU A 593 -16.481 -1.323 -17.456 1.00 1.41 O ATOM 325 OE2 GLU A 593 -15.297 -2.749 -18.636 1.00 1.69 O ATOM 0 H GLU A 593 -13.287 -2.860 -16.587 1.00 0.23 H new ATOM 0 HA GLU A 593 -11.698 -0.363 -16.654 1.00 0.23 H new ATOM 0 HB2 GLU A 593 -14.640 -0.281 -16.099 1.00 0.32 H new ATOM 0 HB3 GLU A 593 -13.619 0.913 -16.877 1.00 0.32 H new ATOM 0 HG2 GLU A 593 -14.675 0.238 -18.762 1.00 0.35 H new ATOM 0 HG3 GLU A 593 -13.497 -1.059 -18.741 1.00 0.35 H new ATOM 332 N ILE A 594 -11.496 -0.485 -14.188 1.00 0.18 N ATOM 333 CA ILE A 594 -11.393 -0.462 -12.740 1.00 0.17 C ATOM 334 C ILE A 594 -12.167 0.713 -12.168 1.00 0.17 C ATOM 335 O ILE A 594 -11.766 1.868 -12.315 1.00 0.17 O ATOM 336 CB ILE A 594 -9.924 -0.367 -12.287 1.00 0.18 C ATOM 337 CG1 ILE A 594 -9.165 -1.611 -12.732 1.00 0.22 C ATOM 338 CG2 ILE A 594 -9.828 -0.189 -10.776 1.00 0.20 C ATOM 339 CD1 ILE A 594 -7.707 -1.595 -12.343 1.00 0.28 C ATOM 0 H ILE A 594 -10.673 -0.134 -14.677 1.00 0.18 H new ATOM 0 HA ILE A 594 -11.818 -1.394 -12.368 1.00 0.17 H new ATOM 0 HB ILE A 594 -9.472 0.509 -12.753 1.00 0.18 H new ATOM 0 HG12 ILE A 594 -9.639 -2.491 -12.298 1.00 0.22 H new ATOM 0 HG13 ILE A 594 -9.243 -1.707 -13.815 1.00 0.22 H new ATOM 0 HG21 ILE A 594 -8.780 -0.125 -10.483 1.00 0.20 H new ATOM 0 HG22 ILE A 594 -10.343 0.726 -10.484 1.00 0.20 H new ATOM 0 HG23 ILE A 594 -10.292 -1.041 -10.279 1.00 0.20 H new ATOM 0 HD11 ILE A 594 -7.228 -2.510 -12.691 1.00 0.28 H new ATOM 0 HD12 ILE A 594 -7.218 -0.734 -12.798 1.00 0.28 H new ATOM 0 HD13 ILE A 594 -7.621 -1.530 -11.258 1.00 0.28 H new ATOM 351 N GLN A 595 -13.273 0.412 -11.509 1.00 0.18 N ATOM 352 CA GLN A 595 -14.094 1.448 -10.907 1.00 0.20 C ATOM 353 C GLN A 595 -13.340 2.119 -9.769 1.00 0.21 C ATOM 354 O GLN A 595 -13.018 1.482 -8.767 1.00 0.24 O ATOM 355 CB GLN A 595 -15.413 0.862 -10.399 1.00 0.23 C ATOM 356 CG GLN A 595 -16.561 1.011 -11.382 1.00 0.91 C ATOM 357 CD GLN A 595 -16.272 0.350 -12.713 1.00 1.55 C ATOM 358 OE1 GLN A 595 -15.591 1.072 -13.593 1.00 2.44 O flip ATOM 359 NE2 GLN A 595 -16.655 -0.796 -12.949 1.00 1.54 N flip ATOM 0 H GLN A 595 -13.622 -0.537 -11.378 1.00 0.18 H new ATOM 0 HA GLN A 595 -14.321 2.196 -11.667 1.00 0.20 H new ATOM 0 HB2 GLN A 595 -15.270 -0.196 -10.177 1.00 0.23 H new ATOM 0 HB3 GLN A 595 -15.682 1.351 -9.462 1.00 0.23 H new ATOM 0 HG2 GLN A 595 -17.463 0.576 -10.952 1.00 0.91 H new ATOM 0 HG3 GLN A 595 -16.763 2.070 -11.542 1.00 0.91 H new ATOM 0 HE21 GLN A 595 -17.176 -1.315 -12.242 1.00 1.54 H new ATOM 0 HE22 GLN A 595 -16.451 -1.226 -13.851 1.00 1.54 H new ATOM 368 N GLN A 596 -13.052 3.408 -9.930 1.00 0.22 N ATOM 369 CA GLN A 596 -12.328 4.163 -8.912 1.00 0.24 C ATOM 370 C GLN A 596 -12.903 3.896 -7.522 1.00 0.23 C ATOM 371 O GLN A 596 -12.202 4.001 -6.516 1.00 0.30 O ATOM 372 CB GLN A 596 -12.365 5.663 -9.237 1.00 0.26 C ATOM 373 CG GLN A 596 -13.669 6.360 -8.871 1.00 0.42 C ATOM 374 CD GLN A 596 -14.637 6.438 -10.031 1.00 0.50 C ATOM 375 OE1 GLN A 596 -15.807 6.094 -9.891 1.00 1.13 O ATOM 376 NE2 GLN A 596 -14.155 6.896 -11.181 1.00 0.40 N ATOM 0 H GLN A 596 -13.309 3.951 -10.755 1.00 0.22 H new ATOM 0 HA GLN A 596 -11.289 3.833 -8.913 1.00 0.24 H new ATOM 0 HB2 GLN A 596 -11.546 6.155 -8.713 1.00 0.26 H new ATOM 0 HB3 GLN A 596 -12.185 5.795 -10.304 1.00 0.26 H new ATOM 0 HG2 GLN A 596 -14.141 5.828 -8.045 1.00 0.42 H new ATOM 0 HG3 GLN A 596 -13.450 7.368 -8.518 1.00 0.42 H new ATOM 0 HE21 GLN A 596 -13.175 7.170 -11.250 1.00 0.40 H new ATOM 0 HE22 GLN A 596 -14.765 6.973 -11.995 1.00 0.40 H new ATOM 385 N GLY A 597 -14.185 3.552 -7.482 1.00 0.20 N ATOM 386 CA GLY A 597 -14.841 3.275 -6.223 1.00 0.22 C ATOM 387 C GLY A 597 -14.399 1.965 -5.594 1.00 0.20 C ATOM 388 O GLY A 597 -14.541 1.783 -4.386 1.00 0.21 O ATOM 0 H GLY A 597 -14.782 3.460 -8.304 1.00 0.20 H new ATOM 0 HA2 GLY A 597 -14.639 4.090 -5.528 1.00 0.22 H new ATOM 0 HA3 GLY A 597 -15.919 3.250 -6.380 1.00 0.22 H new ATOM 392 N VAL A 598 -13.869 1.043 -6.401 1.00 0.20 N ATOM 393 CA VAL A 598 -13.430 -0.237 -5.877 1.00 0.20 C ATOM 394 C VAL A 598 -11.929 -0.246 -5.625 1.00 0.19 C ATOM 395 O VAL A 598 -11.131 -0.097 -6.551 1.00 0.19 O ATOM 396 CB VAL A 598 -13.777 -1.377 -6.852 1.00 0.23 C ATOM 397 CG1 VAL A 598 -13.420 -2.724 -6.249 1.00 0.24 C ATOM 398 CG2 VAL A 598 -15.248 -1.327 -7.233 1.00 0.26 C ATOM 0 H VAL A 598 -13.738 1.163 -7.405 1.00 0.20 H new ATOM 0 HA VAL A 598 -13.952 -0.392 -4.933 1.00 0.20 H new ATOM 0 HB VAL A 598 -13.187 -1.245 -7.759 1.00 0.23 H new ATOM 0 HG11 VAL A 598 -13.673 -3.516 -6.953 1.00 0.24 H new ATOM 0 HG12 VAL A 598 -12.352 -2.755 -6.036 1.00 0.24 H new ATOM 0 HG13 VAL A 598 -13.979 -2.868 -5.324 1.00 0.24 H new ATOM 0 HG21 VAL A 598 -15.473 -2.141 -7.922 1.00 0.26 H new ATOM 0 HG22 VAL A 598 -15.860 -1.431 -6.337 1.00 0.26 H new ATOM 0 HG23 VAL A 598 -15.467 -0.373 -7.713 1.00 0.26 H new ATOM 408 N ASN A 599 -11.550 -0.449 -4.369 1.00 0.20 N ATOM 409 CA ASN A 599 -10.143 -0.511 -4.001 1.00 0.21 C ATOM 410 C ASN A 599 -9.920 -1.624 -2.982 1.00 0.24 C ATOM 411 O ASN A 599 -10.518 -1.609 -1.907 1.00 0.27 O ATOM 412 CB ASN A 599 -9.686 0.828 -3.411 1.00 0.21 C ATOM 413 CG ASN A 599 -8.293 1.214 -3.858 1.00 0.21 C ATOM 414 OD1 ASN A 599 -7.899 0.952 -4.995 1.00 0.30 O ATOM 415 ND2 ASN A 599 -7.536 1.841 -2.965 1.00 0.20 N ATOM 0 H ASN A 599 -12.197 -0.573 -3.590 1.00 0.20 H new ATOM 0 HA ASN A 599 -9.558 -0.720 -4.897 1.00 0.21 H new ATOM 0 HB2 ASN A 599 -10.388 1.609 -3.705 1.00 0.21 H new ATOM 0 HB3 ASN A 599 -9.712 0.769 -2.323 1.00 0.21 H new ATOM 0 HD21 ASN A 599 -6.588 2.126 -3.210 1.00 0.20 H new ATOM 0 HD22 ASN A 599 -7.903 2.038 -2.034 1.00 0.20 H new ATOM 422 N PRO A 600 -9.053 -2.606 -3.287 1.00 0.25 N ATOM 423 CA PRO A 600 -8.305 -2.692 -4.541 1.00 0.24 C ATOM 424 C PRO A 600 -9.072 -3.483 -5.600 1.00 0.20 C ATOM 425 O PRO A 600 -9.980 -4.247 -5.274 1.00 0.20 O ATOM 426 CB PRO A 600 -7.060 -3.450 -4.111 1.00 0.28 C ATOM 427 CG PRO A 600 -7.556 -4.410 -3.087 1.00 0.29 C ATOM 428 CD PRO A 600 -8.732 -3.745 -2.406 1.00 0.29 C ATOM 0 HA PRO A 600 -8.108 -1.721 -4.995 1.00 0.24 H new ATOM 0 HB2 PRO A 600 -6.598 -3.967 -4.952 1.00 0.28 H new ATOM 0 HB3 PRO A 600 -6.308 -2.779 -3.697 1.00 0.28 H new ATOM 0 HG2 PRO A 600 -7.857 -5.350 -3.550 1.00 0.29 H new ATOM 0 HG3 PRO A 600 -6.773 -4.646 -2.366 1.00 0.29 H new ATOM 0 HD2 PRO A 600 -9.577 -4.427 -2.311 1.00 0.29 H new ATOM 0 HD3 PRO A 600 -8.476 -3.413 -1.400 1.00 0.29 H new ATOM 436 N PHE A 601 -8.708 -3.299 -6.865 1.00 0.20 N ATOM 437 CA PHE A 601 -9.378 -4.005 -7.954 1.00 0.17 C ATOM 438 C PHE A 601 -8.644 -5.312 -8.232 1.00 0.18 C ATOM 439 O PHE A 601 -7.471 -5.316 -8.604 1.00 0.20 O ATOM 440 CB PHE A 601 -9.423 -3.131 -9.220 1.00 0.18 C ATOM 441 CG PHE A 601 -10.626 -3.374 -10.086 1.00 0.18 C ATOM 442 CD1 PHE A 601 -10.588 -4.329 -11.087 1.00 0.18 C ATOM 443 CD2 PHE A 601 -11.789 -2.643 -9.905 1.00 0.21 C ATOM 444 CE1 PHE A 601 -11.687 -4.551 -11.895 1.00 0.21 C ATOM 445 CE2 PHE A 601 -12.892 -2.861 -10.708 1.00 0.23 C ATOM 446 CZ PHE A 601 -12.841 -3.817 -11.705 1.00 0.22 C ATOM 0 H PHE A 601 -7.959 -2.673 -7.161 1.00 0.20 H new ATOM 0 HA PHE A 601 -10.405 -4.224 -7.662 1.00 0.17 H new ATOM 0 HB2 PHE A 601 -9.406 -2.082 -8.926 1.00 0.18 H new ATOM 0 HB3 PHE A 601 -8.523 -3.312 -9.807 1.00 0.18 H new ATOM 0 HD1 PHE A 601 -9.689 -4.908 -11.239 1.00 0.18 H new ATOM 0 HD2 PHE A 601 -11.834 -1.895 -9.128 1.00 0.21 H new ATOM 0 HE1 PHE A 601 -11.643 -5.298 -12.674 1.00 0.21 H new ATOM 0 HE2 PHE A 601 -13.793 -2.285 -10.557 1.00 0.23 H new ATOM 0 HZ PHE A 601 -13.702 -3.989 -12.334 1.00 0.22 H new ATOM 456 N PHE A 602 -9.338 -6.426 -8.000 1.00 0.16 N ATOM 457 CA PHE A 602 -8.750 -7.750 -8.174 1.00 0.17 C ATOM 458 C PHE A 602 -8.991 -8.316 -9.566 1.00 0.16 C ATOM 459 O PHE A 602 -10.086 -8.213 -10.116 1.00 0.16 O ATOM 460 CB PHE A 602 -9.316 -8.722 -7.135 1.00 0.18 C ATOM 461 CG PHE A 602 -9.333 -8.182 -5.734 1.00 0.18 C ATOM 462 CD1 PHE A 602 -8.206 -8.264 -4.932 1.00 0.29 C ATOM 463 CD2 PHE A 602 -10.479 -7.601 -5.217 1.00 0.21 C ATOM 464 CE1 PHE A 602 -8.223 -7.774 -3.640 1.00 0.34 C ATOM 465 CE2 PHE A 602 -10.503 -7.111 -3.925 1.00 0.24 C ATOM 466 CZ PHE A 602 -9.372 -7.198 -3.135 1.00 0.27 C ATOM 0 H PHE A 602 -10.310 -6.436 -7.691 1.00 0.16 H new ATOM 0 HA PHE A 602 -7.674 -7.635 -8.039 1.00 0.17 H new ATOM 0 HB2 PHE A 602 -10.333 -8.991 -7.421 1.00 0.18 H new ATOM 0 HB3 PHE A 602 -8.727 -9.639 -7.152 1.00 0.18 H new ATOM 0 HD1 PHE A 602 -7.305 -8.715 -5.321 1.00 0.29 H new ATOM 0 HD2 PHE A 602 -11.365 -7.530 -5.831 1.00 0.21 H new ATOM 0 HE1 PHE A 602 -7.338 -7.842 -3.025 1.00 0.34 H new ATOM 0 HE2 PHE A 602 -11.403 -6.661 -3.533 1.00 0.24 H new ATOM 0 HZ PHE A 602 -9.387 -6.816 -2.125 1.00 0.27 H new ATOM 476 N ILE A 603 -7.949 -8.930 -10.113 1.00 0.17 N ATOM 477 CA ILE A 603 -8.011 -9.544 -11.431 1.00 0.18 C ATOM 478 C ILE A 603 -7.577 -11.001 -11.357 1.00 0.18 C ATOM 479 O ILE A 603 -6.669 -11.347 -10.600 1.00 0.19 O ATOM 480 CB ILE A 603 -7.105 -8.815 -12.436 1.00 0.22 C ATOM 481 CG1 ILE A 603 -7.334 -7.302 -12.372 1.00 0.27 C ATOM 482 CG2 ILE A 603 -7.346 -9.341 -13.841 1.00 0.24 C ATOM 483 CD1 ILE A 603 -6.417 -6.588 -11.406 1.00 0.35 C ATOM 0 H ILE A 603 -7.041 -9.016 -9.656 1.00 0.17 H new ATOM 0 HA ILE A 603 -9.045 -9.475 -11.770 1.00 0.18 H new ATOM 0 HB ILE A 603 -6.066 -9.009 -12.171 1.00 0.22 H new ATOM 0 HG12 ILE A 603 -7.197 -6.881 -13.368 1.00 0.27 H new ATOM 0 HG13 ILE A 603 -8.368 -7.112 -12.085 1.00 0.27 H new ATOM 0 HG21 ILE A 603 -6.698 -8.816 -14.542 1.00 0.24 H new ATOM 0 HG22 ILE A 603 -7.126 -10.408 -13.873 1.00 0.24 H new ATOM 0 HG23 ILE A 603 -8.388 -9.177 -14.117 1.00 0.24 H new ATOM 0 HD11 ILE A 603 -6.638 -5.521 -11.416 1.00 0.35 H new ATOM 0 HD12 ILE A 603 -6.570 -6.981 -10.401 1.00 0.35 H new ATOM 0 HD13 ILE A 603 -5.380 -6.746 -11.704 1.00 0.35 H new ATOM 495 N GLY A 604 -8.220 -11.851 -12.144 1.00 0.18 N ATOM 496 CA GLY A 604 -7.865 -13.260 -12.141 1.00 0.20 C ATOM 497 C GLY A 604 -8.872 -14.139 -12.859 1.00 0.22 C ATOM 498 O GLY A 604 -9.819 -13.647 -13.472 1.00 0.30 O ATOM 0 H GLY A 604 -8.975 -11.596 -12.780 1.00 0.18 H new ATOM 0 HA2 GLY A 604 -6.889 -13.382 -12.610 1.00 0.20 H new ATOM 0 HA3 GLY A 604 -7.768 -13.600 -11.110 1.00 0.20 H new ATOM 502 N ARG A 605 -8.655 -15.450 -12.779 1.00 0.23 N ATOM 503 CA ARG A 605 -9.534 -16.425 -13.420 1.00 0.30 C ATOM 504 C ARG A 605 -10.778 -16.698 -12.572 1.00 0.35 C ATOM 505 O ARG A 605 -11.670 -17.437 -12.989 1.00 0.65 O ATOM 506 CB ARG A 605 -8.772 -17.731 -13.663 1.00 0.42 C ATOM 507 CG ARG A 605 -9.499 -18.713 -14.570 1.00 0.92 C ATOM 508 CD ARG A 605 -8.521 -19.512 -15.421 1.00 0.74 C ATOM 509 NE ARG A 605 -8.173 -20.782 -14.798 1.00 0.87 N ATOM 510 CZ ARG A 605 -8.994 -21.829 -14.734 1.00 1.33 C ATOM 511 NH1 ARG A 605 -10.213 -21.758 -15.255 1.00 1.73 N ATOM 512 NH2 ARG A 605 -8.594 -22.949 -14.149 1.00 1.60 N ATOM 0 H ARG A 605 -7.872 -15.864 -12.273 1.00 0.23 H new ATOM 0 HA ARG A 605 -9.861 -16.009 -14.373 1.00 0.30 H new ATOM 0 HB2 ARG A 605 -7.802 -17.497 -14.102 1.00 0.42 H new ATOM 0 HB3 ARG A 605 -8.581 -18.212 -12.704 1.00 0.42 H new ATOM 0 HG2 ARG A 605 -10.098 -19.394 -13.965 1.00 0.92 H new ATOM 0 HG3 ARG A 605 -10.188 -18.171 -15.217 1.00 0.92 H new ATOM 0 HD2 ARG A 605 -8.959 -19.696 -16.402 1.00 0.74 H new ATOM 0 HD3 ARG A 605 -7.616 -18.926 -15.581 1.00 0.74 H new ATOM 0 HE ARG A 605 -7.245 -20.875 -14.386 1.00 0.87 H new ATOM 0 HH11 ARG A 605 -10.525 -20.899 -15.707 1.00 1.73 H new ATOM 0 HH12 ARG A 605 -10.837 -22.563 -15.203 1.00 1.73 H new ATOM 0 HH21 ARG A 605 -7.658 -23.009 -13.748 1.00 1.60 H new ATOM 0 HH22 ARG A 605 -9.222 -23.751 -14.100 1.00 1.60 H new ATOM 526 N SER A 606 -10.835 -16.101 -11.384 1.00 0.32 N ATOM 527 CA SER A 606 -11.970 -16.288 -10.490 1.00 0.33 C ATOM 528 C SER A 606 -12.918 -15.095 -10.556 1.00 0.24 C ATOM 529 O SER A 606 -12.496 -13.946 -10.431 1.00 0.23 O ATOM 530 CB SER A 606 -11.486 -16.495 -9.052 1.00 0.45 C ATOM 531 OG SER A 606 -11.727 -17.821 -8.618 1.00 1.15 O ATOM 0 H SER A 606 -10.108 -15.485 -11.020 1.00 0.32 H new ATOM 0 HA SER A 606 -12.513 -17.176 -10.813 1.00 0.33 H new ATOM 0 HB2 SER A 606 -10.420 -16.277 -8.989 1.00 0.45 H new ATOM 0 HB3 SER A 606 -11.994 -15.794 -8.390 1.00 0.45 H new ATOM 0 HG SER A 606 -12.043 -17.809 -7.691 1.00 1.15 H new ATOM 537 N GLU A 607 -14.204 -15.377 -10.753 1.00 0.26 N ATOM 538 CA GLU A 607 -15.215 -14.329 -10.835 1.00 0.27 C ATOM 539 C GLU A 607 -15.154 -13.410 -9.616 1.00 0.26 C ATOM 540 O GLU A 607 -15.555 -12.248 -9.683 1.00 0.31 O ATOM 541 CB GLU A 607 -16.610 -14.945 -10.952 1.00 0.38 C ATOM 542 CG GLU A 607 -17.713 -13.920 -11.157 1.00 1.44 C ATOM 543 CD GLU A 607 -18.469 -13.614 -9.880 1.00 2.03 C ATOM 544 OE1 GLU A 607 -17.819 -13.250 -8.877 1.00 2.67 O ATOM 545 OE2 GLU A 607 -19.712 -13.737 -9.881 1.00 2.48 O ATOM 0 H GLU A 607 -14.569 -16.323 -10.859 1.00 0.26 H new ATOM 0 HA GLU A 607 -15.010 -13.734 -11.725 1.00 0.27 H new ATOM 0 HB2 GLU A 607 -16.619 -15.647 -11.785 1.00 0.38 H new ATOM 0 HB3 GLU A 607 -16.822 -15.518 -10.049 1.00 0.38 H new ATOM 0 HG2 GLU A 607 -17.280 -12.999 -11.548 1.00 1.44 H new ATOM 0 HG3 GLU A 607 -18.411 -14.288 -11.909 1.00 1.44 H new ATOM 552 N ASP A 608 -14.644 -13.936 -8.505 1.00 0.24 N ATOM 553 CA ASP A 608 -14.527 -13.158 -7.277 1.00 0.27 C ATOM 554 C ASP A 608 -13.711 -11.890 -7.515 1.00 0.24 C ATOM 555 O ASP A 608 -13.905 -10.878 -6.842 1.00 0.29 O ATOM 556 CB ASP A 608 -13.879 -13.998 -6.175 1.00 0.33 C ATOM 557 CG ASP A 608 -14.891 -14.823 -5.405 1.00 1.11 C ATOM 558 OD1 ASP A 608 -15.992 -15.062 -5.943 1.00 1.92 O ATOM 559 OD2 ASP A 608 -14.583 -15.230 -4.265 1.00 1.77 O ATOM 0 H ASP A 608 -14.306 -14.896 -8.431 1.00 0.24 H new ATOM 0 HA ASP A 608 -15.529 -12.870 -6.960 1.00 0.27 H new ATOM 0 HB2 ASP A 608 -13.135 -14.661 -6.617 1.00 0.33 H new ATOM 0 HB3 ASP A 608 -13.350 -13.341 -5.485 1.00 0.33 H new ATOM 564 N CYS A 609 -12.801 -11.956 -8.482 1.00 0.19 N ATOM 565 CA CYS A 609 -11.956 -10.818 -8.818 1.00 0.18 C ATOM 566 C CYS A 609 -12.743 -9.772 -9.593 1.00 0.18 C ATOM 567 O CYS A 609 -13.430 -10.091 -10.563 1.00 0.20 O ATOM 568 CB CYS A 609 -10.751 -11.277 -9.639 1.00 0.18 C ATOM 569 SG CYS A 609 -9.402 -11.958 -8.648 1.00 0.32 S ATOM 0 H CYS A 609 -12.631 -12.788 -9.047 1.00 0.19 H new ATOM 0 HA CYS A 609 -11.604 -10.370 -7.889 1.00 0.18 H new ATOM 0 HB2 CYS A 609 -11.078 -12.031 -10.355 1.00 0.18 H new ATOM 0 HB3 CYS A 609 -10.374 -10.432 -10.215 1.00 0.18 H new ATOM 0 HG CYS A 609 -8.965 -13.050 -9.202 1.00 0.32 H new ATOM 575 N ASN A 610 -12.631 -8.517 -9.163 1.00 0.17 N ATOM 576 CA ASN A 610 -13.325 -7.416 -9.821 1.00 0.18 C ATOM 577 C ASN A 610 -13.166 -7.518 -11.335 1.00 0.18 C ATOM 578 O ASN A 610 -14.059 -7.148 -12.097 1.00 0.19 O ATOM 579 CB ASN A 610 -12.778 -6.080 -9.324 1.00 0.20 C ATOM 580 CG ASN A 610 -13.082 -5.841 -7.858 1.00 0.48 C ATOM 581 OD1 ASN A 610 -12.174 -5.722 -7.036 1.00 1.52 O ATOM 582 ND2 ASN A 610 -14.365 -5.767 -7.524 1.00 0.67 N ATOM 0 H ASN A 610 -12.065 -8.239 -8.361 1.00 0.17 H new ATOM 0 HA ASN A 610 -14.386 -7.476 -9.577 1.00 0.18 H new ATOM 0 HB2 ASN A 610 -11.699 -6.052 -9.478 1.00 0.20 H new ATOM 0 HB3 ASN A 610 -13.206 -5.272 -9.917 1.00 0.20 H new ATOM 0 HD21 ASN A 610 -14.631 -5.606 -6.553 1.00 0.67 H new ATOM 0 HD22 ASN A 610 -15.085 -5.872 -8.239 1.00 0.67 H new ATOM 589 N CYS A 611 -12.023 -8.048 -11.753 1.00 0.18 N ATOM 590 CA CYS A 611 -11.729 -8.239 -13.170 1.00 0.19 C ATOM 591 C CYS A 611 -11.805 -9.724 -13.510 1.00 0.18 C ATOM 592 O CYS A 611 -11.351 -10.569 -12.735 1.00 0.19 O ATOM 593 CB CYS A 611 -10.348 -7.681 -13.513 1.00 0.20 C ATOM 594 SG CYS A 611 -9.836 -7.972 -15.222 1.00 0.25 S ATOM 0 H CYS A 611 -11.279 -8.355 -11.127 1.00 0.18 H new ATOM 0 HA CYS A 611 -12.467 -7.698 -13.762 1.00 0.19 H new ATOM 0 HB2 CYS A 611 -10.344 -6.608 -13.322 1.00 0.20 H new ATOM 0 HB3 CYS A 611 -9.612 -8.127 -12.844 1.00 0.20 H new ATOM 0 HG CYS A 611 -10.573 -8.908 -15.743 1.00 0.25 H new ATOM 600 N LYS A 612 -12.399 -10.044 -14.656 1.00 0.18 N ATOM 601 CA LYS A 612 -12.554 -11.440 -15.054 1.00 0.19 C ATOM 602 C LYS A 612 -11.731 -11.795 -16.286 1.00 0.20 C ATOM 603 O LYS A 612 -12.019 -11.350 -17.397 1.00 0.26 O ATOM 604 CB LYS A 612 -14.032 -11.754 -15.304 1.00 0.22 C ATOM 605 CG LYS A 612 -14.559 -12.897 -14.452 1.00 0.29 C ATOM 606 CD LYS A 612 -14.667 -14.187 -15.249 1.00 0.90 C ATOM 607 CE LYS A 612 -15.922 -14.208 -16.107 1.00 1.51 C ATOM 608 NZ LYS A 612 -15.764 -15.081 -17.303 1.00 2.26 N ATOM 0 H LYS A 612 -12.777 -9.366 -15.318 1.00 0.18 H new ATOM 0 HA LYS A 612 -12.179 -12.049 -14.232 1.00 0.19 H new ATOM 0 HB2 LYS A 612 -14.624 -10.860 -15.106 1.00 0.22 H new ATOM 0 HB3 LYS A 612 -14.170 -12.002 -16.356 1.00 0.22 H new ATOM 0 HG2 LYS A 612 -13.898 -13.050 -13.599 1.00 0.29 H new ATOM 0 HG3 LYS A 612 -15.538 -12.632 -14.053 1.00 0.29 H new ATOM 0 HD2 LYS A 612 -13.788 -14.298 -15.885 1.00 0.90 H new ATOM 0 HD3 LYS A 612 -14.677 -15.037 -14.567 1.00 0.90 H new ATOM 0 HE2 LYS A 612 -16.764 -14.559 -15.510 1.00 1.51 H new ATOM 0 HE3 LYS A 612 -16.160 -13.194 -16.427 1.00 1.51 H new ATOM 0 HZ1 LYS A 612 -16.702 -15.328 -17.679 1.00 2.26 H new ATOM 0 HZ2 LYS A 612 -15.221 -14.576 -18.032 1.00 2.26 H new ATOM 0 HZ3 LYS A 612 -15.259 -15.950 -17.035 1.00 2.26 H new ATOM 622 N ILE A 613 -10.721 -12.629 -16.072 1.00 0.21 N ATOM 623 CA ILE A 613 -9.856 -13.097 -17.146 1.00 0.27 C ATOM 624 C ILE A 613 -9.583 -14.582 -16.970 1.00 0.35 C ATOM 625 O ILE A 613 -8.869 -14.977 -16.048 1.00 0.38 O ATOM 626 CB ILE A 613 -8.511 -12.342 -17.163 1.00 0.28 C ATOM 627 CG1 ILE A 613 -8.751 -10.844 -17.355 1.00 0.43 C ATOM 628 CG2 ILE A 613 -7.592 -12.892 -18.251 1.00 0.30 C ATOM 629 CD1 ILE A 613 -9.282 -10.484 -18.726 1.00 0.41 C ATOM 0 H ILE A 613 -10.480 -12.998 -15.152 1.00 0.21 H new ATOM 0 HA ILE A 613 -10.369 -12.911 -18.090 1.00 0.27 H new ATOM 0 HB ILE A 613 -8.016 -12.493 -16.204 1.00 0.28 H new ATOM 0 HG12 ILE A 613 -9.457 -10.498 -16.599 1.00 0.43 H new ATOM 0 HG13 ILE A 613 -7.816 -10.310 -17.186 1.00 0.43 H new ATOM 0 HG21 ILE A 613 -6.650 -12.344 -18.243 1.00 0.30 H new ATOM 0 HG22 ILE A 613 -7.399 -13.948 -18.064 1.00 0.30 H new ATOM 0 HG23 ILE A 613 -8.070 -12.777 -19.224 1.00 0.30 H new ATOM 0 HD11 ILE A 613 -9.428 -9.406 -18.788 1.00 0.41 H new ATOM 0 HD12 ILE A 613 -8.568 -10.798 -19.487 1.00 0.41 H new ATOM 0 HD13 ILE A 613 -10.234 -10.989 -18.892 1.00 0.41 H new ATOM 641 N GLU A 614 -10.142 -15.412 -17.845 1.00 0.42 N ATOM 642 CA GLU A 614 -9.919 -16.842 -17.733 1.00 0.51 C ATOM 643 C GLU A 614 -8.664 -17.246 -18.484 1.00 0.45 C ATOM 644 O GLU A 614 -8.654 -17.348 -19.711 1.00 0.52 O ATOM 645 CB GLU A 614 -11.125 -17.614 -18.272 1.00 0.70 C ATOM 646 CG GLU A 614 -12.275 -17.714 -17.283 1.00 1.43 C ATOM 647 CD GLU A 614 -13.444 -18.511 -17.828 1.00 1.91 C ATOM 648 OE1 GLU A 614 -13.300 -19.741 -17.993 1.00 2.55 O ATOM 649 OE2 GLU A 614 -14.505 -17.905 -18.090 1.00 2.27 O ATOM 0 H GLU A 614 -10.739 -15.125 -18.621 1.00 0.42 H new ATOM 0 HA GLU A 614 -9.788 -17.086 -16.679 1.00 0.51 H new ATOM 0 HB2 GLU A 614 -11.480 -17.129 -19.181 1.00 0.70 H new ATOM 0 HB3 GLU A 614 -10.808 -18.619 -18.550 1.00 0.70 H new ATOM 0 HG2 GLU A 614 -11.920 -18.180 -16.364 1.00 1.43 H new ATOM 0 HG3 GLU A 614 -12.614 -16.711 -17.022 1.00 1.43 H new ATOM 656 N ASP A 615 -7.614 -17.499 -17.721 1.00 0.40 N ATOM 657 CA ASP A 615 -6.341 -17.925 -18.267 1.00 0.39 C ATOM 658 C ASP A 615 -5.849 -19.146 -17.503 1.00 0.40 C ATOM 659 O ASP A 615 -5.526 -19.050 -16.319 1.00 0.43 O ATOM 660 CB ASP A 615 -5.323 -16.786 -18.199 1.00 0.38 C ATOM 661 CG ASP A 615 -4.791 -16.402 -19.565 1.00 1.41 C ATOM 662 OD1 ASP A 615 -5.586 -16.383 -20.527 1.00 2.18 O ATOM 663 OD2 ASP A 615 -3.579 -16.120 -19.672 1.00 2.20 O ATOM 0 H ASP A 615 -7.622 -17.414 -16.705 1.00 0.40 H new ATOM 0 HA ASP A 615 -6.467 -18.194 -19.316 1.00 0.39 H new ATOM 0 HB2 ASP A 615 -5.787 -15.915 -17.735 1.00 0.38 H new ATOM 0 HB3 ASP A 615 -4.492 -17.083 -17.559 1.00 0.38 H new ATOM 668 N ASN A 616 -5.814 -20.296 -18.166 1.00 0.45 N ATOM 669 CA ASN A 616 -5.381 -21.533 -17.522 1.00 0.48 C ATOM 670 C ASN A 616 -4.155 -21.308 -16.635 1.00 0.42 C ATOM 671 O ASN A 616 -4.022 -21.925 -15.577 1.00 0.50 O ATOM 672 CB ASN A 616 -5.077 -22.601 -18.574 1.00 0.54 C ATOM 673 CG ASN A 616 -6.334 -23.175 -19.195 1.00 1.11 C ATOM 674 OD1 ASN A 616 -6.861 -24.189 -18.735 1.00 2.02 O ATOM 675 ND2 ASN A 616 -6.823 -22.530 -20.248 1.00 1.56 N ATOM 0 H ASN A 616 -6.079 -20.399 -19.146 1.00 0.45 H new ATOM 0 HA ASN A 616 -6.197 -21.876 -16.886 1.00 0.48 H new ATOM 0 HB2 ASN A 616 -4.453 -22.169 -19.357 1.00 0.54 H new ATOM 0 HB3 ASN A 616 -4.502 -23.405 -18.115 1.00 0.54 H new ATOM 0 HD21 ASN A 616 -7.667 -22.871 -20.708 1.00 1.56 H new ATOM 0 HD22 ASN A 616 -6.355 -21.694 -20.596 1.00 1.56 H new ATOM 682 N ARG A 617 -3.264 -20.423 -17.072 1.00 0.36 N ATOM 683 CA ARG A 617 -2.052 -20.116 -16.316 1.00 0.36 C ATOM 684 C ARG A 617 -2.354 -19.186 -15.142 1.00 0.43 C ATOM 685 O ARG A 617 -1.756 -19.306 -14.072 1.00 0.54 O ATOM 686 CB ARG A 617 -1.006 -19.478 -17.231 1.00 0.37 C ATOM 687 CG ARG A 617 -0.701 -20.300 -18.472 1.00 0.75 C ATOM 688 CD ARG A 617 0.014 -21.595 -18.122 1.00 0.60 C ATOM 689 NE ARG A 617 -0.357 -22.687 -19.020 1.00 0.99 N ATOM 690 CZ ARG A 617 0.045 -23.946 -18.862 1.00 1.61 C ATOM 691 NH1 ARG A 617 0.830 -24.276 -17.845 1.00 1.86 N ATOM 692 NH2 ARG A 617 -0.339 -24.876 -19.725 1.00 2.27 N ATOM 0 H ARG A 617 -3.358 -19.905 -17.946 1.00 0.36 H new ATOM 0 HA ARG A 617 -1.659 -21.051 -15.918 1.00 0.36 H new ATOM 0 HB2 ARG A 617 -1.355 -18.491 -17.536 1.00 0.37 H new ATOM 0 HB3 ARG A 617 -0.085 -19.330 -16.668 1.00 0.37 H new ATOM 0 HG2 ARG A 617 -1.629 -20.526 -18.997 1.00 0.75 H new ATOM 0 HG3 ARG A 617 -0.084 -19.715 -19.154 1.00 0.75 H new ATOM 0 HD2 ARG A 617 1.092 -21.438 -18.169 1.00 0.60 H new ATOM 0 HD3 ARG A 617 -0.223 -21.874 -17.095 1.00 0.60 H new ATOM 0 HE ARG A 617 -0.959 -22.472 -19.814 1.00 0.99 H new ATOM 0 HH11 ARG A 617 1.129 -23.563 -17.179 1.00 1.86 H new ATOM 0 HH12 ARG A 617 1.135 -25.242 -17.729 1.00 1.86 H new ATOM 0 HH21 ARG A 617 -0.942 -24.626 -20.509 1.00 2.27 H new ATOM 0 HH22 ARG A 617 -0.032 -25.841 -19.605 1.00 2.27 H new ATOM 706 N LEU A 618 -3.280 -18.256 -15.354 1.00 0.45 N ATOM 707 CA LEU A 618 -3.664 -17.297 -14.321 1.00 0.57 C ATOM 708 C LEU A 618 -4.259 -18.005 -13.104 1.00 0.41 C ATOM 709 O LEU A 618 -4.721 -19.141 -13.198 1.00 0.46 O ATOM 710 CB LEU A 618 -4.680 -16.293 -14.877 1.00 0.86 C ATOM 711 CG LEU A 618 -4.125 -14.902 -15.193 1.00 0.57 C ATOM 712 CD1 LEU A 618 -3.698 -14.813 -16.649 1.00 1.36 C ATOM 713 CD2 LEU A 618 -5.163 -13.836 -14.878 1.00 1.15 C ATOM 0 H LEU A 618 -3.781 -18.145 -16.236 1.00 0.45 H new ATOM 0 HA LEU A 618 -2.764 -16.767 -14.009 1.00 0.57 H new ATOM 0 HB2 LEU A 618 -5.114 -16.708 -15.787 1.00 0.86 H new ATOM 0 HB3 LEU A 618 -5.491 -16.187 -14.157 1.00 0.86 H new ATOM 0 HG LEU A 618 -3.248 -14.731 -14.568 1.00 0.57 H new ATOM 0 HD11 LEU A 618 -3.306 -13.816 -16.853 1.00 1.36 H new ATOM 0 HD12 LEU A 618 -2.924 -15.555 -16.847 1.00 1.36 H new ATOM 0 HD13 LEU A 618 -4.557 -15.004 -17.292 1.00 1.36 H new ATOM 0 HD21 LEU A 618 -4.755 -12.852 -15.107 1.00 1.15 H new ATOM 0 HD22 LEU A 618 -6.055 -14.008 -15.480 1.00 1.15 H new ATOM 0 HD23 LEU A 618 -5.424 -13.883 -13.821 1.00 1.15 H new ATOM 725 N SER A 619 -4.253 -17.316 -11.966 1.00 0.50 N ATOM 726 CA SER A 619 -4.800 -17.864 -10.731 1.00 0.38 C ATOM 727 C SER A 619 -6.071 -17.120 -10.336 1.00 0.36 C ATOM 728 O SER A 619 -6.380 -16.071 -10.900 1.00 0.44 O ATOM 729 CB SER A 619 -3.768 -17.772 -9.605 1.00 0.36 C ATOM 730 OG SER A 619 -2.972 -18.943 -9.545 1.00 1.38 O ATOM 0 H SER A 619 -3.873 -16.374 -11.875 1.00 0.50 H new ATOM 0 HA SER A 619 -5.045 -18.913 -10.899 1.00 0.38 H new ATOM 0 HB2 SER A 619 -3.130 -16.903 -9.763 1.00 0.36 H new ATOM 0 HB3 SER A 619 -4.277 -17.625 -8.652 1.00 0.36 H new ATOM 0 HG SER A 619 -2.320 -18.858 -8.819 1.00 1.38 H new ATOM 736 N ARG A 620 -6.806 -17.660 -9.362 1.00 0.36 N ATOM 737 CA ARG A 620 -8.041 -17.024 -8.898 1.00 0.47 C ATOM 738 C ARG A 620 -7.811 -15.535 -8.666 1.00 0.39 C ATOM 739 O ARG A 620 -8.548 -14.691 -9.172 1.00 0.38 O ATOM 740 CB ARG A 620 -8.532 -17.685 -7.609 1.00 0.58 C ATOM 741 CG ARG A 620 -9.294 -18.981 -7.842 1.00 1.14 C ATOM 742 CD ARG A 620 -8.540 -20.179 -7.287 1.00 1.22 C ATOM 743 NE ARG A 620 -8.782 -21.389 -8.069 1.00 1.32 N ATOM 744 CZ ARG A 620 -8.495 -22.617 -7.644 1.00 1.77 C ATOM 745 NH1 ARG A 620 -7.956 -22.802 -6.445 1.00 2.23 N ATOM 746 NH2 ARG A 620 -8.748 -23.663 -8.418 1.00 2.18 N ATOM 0 H ARG A 620 -6.571 -18.529 -8.882 1.00 0.36 H new ATOM 0 HA ARG A 620 -8.804 -17.149 -9.666 1.00 0.47 H new ATOM 0 HB2 ARG A 620 -7.676 -17.887 -6.965 1.00 0.58 H new ATOM 0 HB3 ARG A 620 -9.175 -16.986 -7.074 1.00 0.58 H new ATOM 0 HG2 ARG A 620 -10.275 -18.917 -7.371 1.00 1.14 H new ATOM 0 HG3 ARG A 620 -9.462 -19.119 -8.910 1.00 1.14 H new ATOM 0 HD2 ARG A 620 -7.472 -19.962 -7.277 1.00 1.22 H new ATOM 0 HD3 ARG A 620 -8.841 -20.349 -6.253 1.00 1.22 H new ATOM 0 HE ARG A 620 -9.195 -21.287 -8.996 1.00 1.32 H new ATOM 0 HH11 ARG A 620 -7.760 -22.001 -5.845 1.00 2.23 H new ATOM 0 HH12 ARG A 620 -7.738 -23.745 -6.124 1.00 2.23 H new ATOM 0 HH21 ARG A 620 -9.163 -23.527 -9.340 1.00 2.18 H new ATOM 0 HH22 ARG A 620 -8.528 -24.604 -8.092 1.00 2.18 H new ATOM 760 N VAL A 621 -6.758 -15.230 -7.918 1.00 0.39 N ATOM 761 CA VAL A 621 -6.384 -13.855 -7.629 1.00 0.34 C ATOM 762 C VAL A 621 -4.984 -13.590 -8.163 1.00 0.26 C ATOM 763 O VAL A 621 -4.070 -13.241 -7.416 1.00 0.26 O ATOM 764 CB VAL A 621 -6.425 -13.558 -6.118 1.00 0.39 C ATOM 765 CG1 VAL A 621 -6.260 -12.067 -5.862 1.00 0.42 C ATOM 766 CG2 VAL A 621 -7.720 -14.073 -5.512 1.00 0.48 C ATOM 0 H VAL A 621 -6.143 -15.927 -7.497 1.00 0.39 H new ATOM 0 HA VAL A 621 -7.105 -13.199 -8.117 1.00 0.34 H new ATOM 0 HB VAL A 621 -5.595 -14.077 -5.639 1.00 0.39 H new ATOM 0 HG11 VAL A 621 -6.292 -11.876 -4.789 1.00 0.42 H new ATOM 0 HG12 VAL A 621 -5.303 -11.733 -6.262 1.00 0.42 H new ATOM 0 HG13 VAL A 621 -7.068 -11.522 -6.351 1.00 0.42 H new ATOM 0 HG21 VAL A 621 -7.734 -13.856 -4.444 1.00 0.48 H new ATOM 0 HG22 VAL A 621 -8.567 -13.583 -5.993 1.00 0.48 H new ATOM 0 HG23 VAL A 621 -7.790 -15.150 -5.664 1.00 0.48 H new ATOM 776 N HIS A 622 -4.828 -13.786 -9.467 1.00 0.27 N ATOM 777 CA HIS A 622 -3.545 -13.602 -10.133 1.00 0.27 C ATOM 778 C HIS A 622 -2.899 -12.274 -9.756 1.00 0.24 C ATOM 779 O HIS A 622 -1.722 -12.221 -9.408 1.00 0.30 O ATOM 780 CB HIS A 622 -3.724 -13.671 -11.645 1.00 0.37 C ATOM 781 CG HIS A 622 -2.437 -13.857 -12.383 1.00 0.41 C ATOM 782 ND1 HIS A 622 -1.905 -15.095 -12.664 1.00 0.42 N ATOM 783 CD2 HIS A 622 -1.582 -12.953 -12.912 1.00 0.61 C ATOM 784 CE1 HIS A 622 -0.783 -14.946 -13.338 1.00 0.47 C ATOM 785 NE2 HIS A 622 -0.563 -13.657 -13.502 1.00 0.60 N ATOM 0 H HIS A 622 -5.583 -14.075 -10.089 1.00 0.27 H new ATOM 0 HA HIS A 622 -2.886 -14.405 -9.803 1.00 0.27 H new ATOM 0 HB2 HIS A 622 -4.396 -14.494 -11.887 1.00 0.37 H new ATOM 0 HB3 HIS A 622 -4.204 -12.755 -11.990 1.00 0.37 H new ATOM 0 HD2 HIS A 622 -1.682 -11.878 -12.877 1.00 0.61 H new ATOM 0 HE1 HIS A 622 -0.150 -15.745 -13.696 1.00 0.47 H new ATOM 0 HE2 HIS A 622 0.235 -13.249 -13.989 1.00 0.60 H new ATOM 794 N CYS A 623 -3.671 -11.202 -9.836 1.00 0.20 N ATOM 795 CA CYS A 623 -3.159 -9.878 -9.507 1.00 0.20 C ATOM 796 C CYS A 623 -4.290 -8.890 -9.260 1.00 0.22 C ATOM 797 O CYS A 623 -5.396 -9.050 -9.776 1.00 0.43 O ATOM 798 CB CYS A 623 -2.258 -9.362 -10.632 1.00 0.32 C ATOM 799 SG CYS A 623 -2.941 -9.591 -12.290 1.00 0.45 S ATOM 0 H CYS A 623 -4.649 -11.220 -10.124 1.00 0.20 H new ATOM 0 HA CYS A 623 -2.577 -9.967 -8.589 1.00 0.20 H new ATOM 0 HB2 CYS A 623 -2.068 -8.301 -10.473 1.00 0.32 H new ATOM 0 HB3 CYS A 623 -1.296 -9.870 -10.574 1.00 0.32 H new ATOM 0 HG CYS A 623 -2.938 -8.455 -12.921 1.00 0.45 H new ATOM 805 N PHE A 624 -3.997 -7.864 -8.471 1.00 0.24 N ATOM 806 CA PHE A 624 -4.978 -6.838 -8.150 1.00 0.35 C ATOM 807 C PHE A 624 -4.315 -5.468 -8.069 1.00 0.24 C ATOM 808 O PHE A 624 -3.163 -5.351 -7.656 1.00 0.30 O ATOM 809 CB PHE A 624 -5.674 -7.160 -6.826 1.00 0.66 C ATOM 810 CG PHE A 624 -4.765 -7.091 -5.631 1.00 0.22 C ATOM 811 CD1 PHE A 624 -4.513 -5.881 -5.004 1.00 0.52 C ATOM 812 CD2 PHE A 624 -4.166 -8.236 -5.133 1.00 0.52 C ATOM 813 CE1 PHE A 624 -3.679 -5.816 -3.904 1.00 0.96 C ATOM 814 CE2 PHE A 624 -3.331 -8.178 -4.035 1.00 0.78 C ATOM 815 CZ PHE A 624 -3.087 -6.966 -3.418 1.00 1.01 C ATOM 0 H PHE A 624 -3.083 -7.721 -8.040 1.00 0.24 H new ATOM 0 HA PHE A 624 -5.723 -6.819 -8.945 1.00 0.35 H new ATOM 0 HB2 PHE A 624 -6.501 -6.465 -6.682 1.00 0.66 H new ATOM 0 HB3 PHE A 624 -6.105 -8.160 -6.886 1.00 0.66 H new ATOM 0 HD1 PHE A 624 -4.973 -4.979 -5.379 1.00 0.52 H new ATOM 0 HD2 PHE A 624 -4.354 -9.187 -5.610 1.00 0.52 H new ATOM 0 HE1 PHE A 624 -3.490 -4.867 -3.425 1.00 0.96 H new ATOM 0 HE2 PHE A 624 -2.869 -9.079 -3.659 1.00 0.78 H new ATOM 0 HZ PHE A 624 -2.435 -6.918 -2.558 1.00 1.01 H new ATOM 825 N ILE A 625 -5.055 -4.437 -8.451 1.00 0.22 N ATOM 826 CA ILE A 625 -4.546 -3.072 -8.412 1.00 0.17 C ATOM 827 C ILE A 625 -5.100 -2.350 -7.189 1.00 0.18 C ATOM 828 O ILE A 625 -6.289 -2.441 -6.889 1.00 0.24 O ATOM 829 CB ILE A 625 -4.932 -2.296 -9.686 1.00 0.27 C ATOM 830 CG1 ILE A 625 -4.314 -2.956 -10.918 1.00 0.64 C ATOM 831 CG2 ILE A 625 -4.497 -0.839 -9.590 1.00 0.61 C ATOM 832 CD1 ILE A 625 -4.903 -2.463 -12.220 1.00 1.02 C ATOM 0 H ILE A 625 -6.013 -4.519 -8.793 1.00 0.22 H new ATOM 0 HA ILE A 625 -3.459 -3.118 -8.354 1.00 0.17 H new ATOM 0 HB ILE A 625 -6.017 -2.320 -9.783 1.00 0.27 H new ATOM 0 HG12 ILE A 625 -3.240 -2.771 -10.920 1.00 0.64 H new ATOM 0 HG13 ILE A 625 -4.451 -4.035 -10.851 1.00 0.64 H new ATOM 0 HG21 ILE A 625 -4.781 -0.314 -10.502 1.00 0.61 H new ATOM 0 HG22 ILE A 625 -4.983 -0.370 -8.734 1.00 0.61 H new ATOM 0 HG23 ILE A 625 -3.415 -0.790 -9.465 1.00 0.61 H new ATOM 0 HD11 ILE A 625 -4.420 -2.972 -13.054 1.00 1.02 H new ATOM 0 HD12 ILE A 625 -5.973 -2.672 -12.238 1.00 1.02 H new ATOM 0 HD13 ILE A 625 -4.742 -1.389 -12.308 1.00 1.02 H new ATOM 844 N PHE A 626 -4.230 -1.646 -6.483 1.00 0.18 N ATOM 845 CA PHE A 626 -4.625 -0.921 -5.286 1.00 0.25 C ATOM 846 C PHE A 626 -4.236 0.550 -5.392 1.00 0.22 C ATOM 847 O PHE A 626 -3.112 0.880 -5.762 1.00 0.20 O ATOM 848 CB PHE A 626 -3.975 -1.570 -4.058 1.00 0.32 C ATOM 849 CG PHE A 626 -3.783 -0.639 -2.896 1.00 0.32 C ATOM 850 CD1 PHE A 626 -4.872 -0.058 -2.269 1.00 0.30 C ATOM 851 CD2 PHE A 626 -2.512 -0.347 -2.433 1.00 0.35 C ATOM 852 CE1 PHE A 626 -4.697 0.799 -1.202 1.00 0.30 C ATOM 853 CE2 PHE A 626 -2.330 0.510 -1.367 1.00 0.36 C ATOM 854 CZ PHE A 626 -3.423 1.084 -0.750 1.00 0.32 C ATOM 0 H PHE A 626 -3.241 -1.561 -6.719 1.00 0.18 H new ATOM 0 HA PHE A 626 -5.709 -0.970 -5.181 1.00 0.25 H new ATOM 0 HB2 PHE A 626 -4.591 -2.410 -3.737 1.00 0.32 H new ATOM 0 HB3 PHE A 626 -3.006 -1.977 -4.347 1.00 0.32 H new ATOM 0 HD1 PHE A 626 -5.870 -0.278 -2.619 1.00 0.30 H new ATOM 0 HD2 PHE A 626 -1.653 -0.795 -2.911 1.00 0.35 H new ATOM 0 HE1 PHE A 626 -5.554 1.246 -0.721 1.00 0.30 H new ATOM 0 HE2 PHE A 626 -1.333 0.731 -1.016 1.00 0.36 H new ATOM 0 HZ PHE A 626 -3.283 1.755 0.085 1.00 0.32 H new ATOM 864 N LYS A 627 -5.174 1.426 -5.058 1.00 0.23 N ATOM 865 CA LYS A 627 -4.934 2.862 -5.110 1.00 0.22 C ATOM 866 C LYS A 627 -4.574 3.396 -3.729 1.00 0.22 C ATOM 867 O LYS A 627 -5.179 3.015 -2.726 1.00 0.24 O ATOM 868 CB LYS A 627 -6.164 3.585 -5.657 1.00 0.27 C ATOM 869 CG LYS A 627 -6.021 5.098 -5.693 1.00 0.43 C ATOM 870 CD LYS A 627 -7.331 5.771 -6.068 1.00 0.74 C ATOM 871 CE LYS A 627 -7.513 5.837 -7.575 1.00 0.63 C ATOM 872 NZ LYS A 627 -8.561 6.820 -7.966 1.00 0.89 N ATOM 0 H LYS A 627 -6.110 1.167 -4.747 1.00 0.23 H new ATOM 0 HA LYS A 627 -4.094 3.048 -5.779 1.00 0.22 H new ATOM 0 HB2 LYS A 627 -6.367 3.225 -6.665 1.00 0.27 H new ATOM 0 HB3 LYS A 627 -7.028 3.326 -5.046 1.00 0.27 H new ATOM 0 HG2 LYS A 627 -5.692 5.457 -4.718 1.00 0.43 H new ATOM 0 HG3 LYS A 627 -5.249 5.375 -6.411 1.00 0.43 H new ATOM 0 HD2 LYS A 627 -8.162 5.224 -5.624 1.00 0.74 H new ATOM 0 HD3 LYS A 627 -7.355 6.779 -5.653 1.00 0.74 H new ATOM 0 HE2 LYS A 627 -6.567 6.109 -8.043 1.00 0.63 H new ATOM 0 HE3 LYS A 627 -7.782 4.850 -7.952 1.00 0.63 H new ATOM 0 HZ1 LYS A 627 -8.505 6.999 -8.989 1.00 0.89 H new ATOM 0 HZ2 LYS A 627 -9.500 6.438 -7.732 1.00 0.89 H new ATOM 0 HZ3 LYS A 627 -8.411 7.711 -7.450 1.00 0.89 H new ATOM 886 N LYS A 628 -3.568 4.260 -3.682 1.00 0.21 N ATOM 887 CA LYS A 628 -3.103 4.826 -2.420 1.00 0.22 C ATOM 888 C LYS A 628 -2.861 6.327 -2.528 1.00 0.23 C ATOM 889 O LYS A 628 -2.674 6.861 -3.620 1.00 0.23 O ATOM 890 CB LYS A 628 -1.828 4.122 -1.956 1.00 0.23 C ATOM 891 CG LYS A 628 -1.889 3.669 -0.508 1.00 0.23 C ATOM 892 CD LYS A 628 -1.051 4.561 0.393 1.00 0.39 C ATOM 893 CE LYS A 628 -0.369 3.761 1.490 1.00 1.19 C ATOM 894 NZ LYS A 628 0.204 4.641 2.546 1.00 1.77 N ATOM 0 H LYS A 628 -3.057 4.585 -4.503 1.00 0.21 H new ATOM 0 HA LYS A 628 -3.890 4.667 -1.682 1.00 0.22 H new ATOM 0 HB2 LYS A 628 -1.646 3.257 -2.593 1.00 0.23 H new ATOM 0 HB3 LYS A 628 -0.981 4.796 -2.084 1.00 0.23 H new ATOM 0 HG2 LYS A 628 -2.924 3.676 -0.167 1.00 0.23 H new ATOM 0 HG3 LYS A 628 -1.536 2.640 -0.433 1.00 0.23 H new ATOM 0 HD2 LYS A 628 -0.299 5.078 -0.203 1.00 0.39 H new ATOM 0 HD3 LYS A 628 -1.685 5.327 0.840 1.00 0.39 H new ATOM 0 HE2 LYS A 628 -1.088 3.076 1.939 1.00 1.19 H new ATOM 0 HE3 LYS A 628 0.424 3.152 1.056 1.00 1.19 H new ATOM 0 HZ1 LYS A 628 0.660 4.056 3.275 1.00 1.77 H new ATOM 0 HZ2 LYS A 628 0.908 5.278 2.122 1.00 1.77 H new ATOM 0 HZ3 LYS A 628 -0.556 5.204 2.979 1.00 1.77 H new ATOM 908 N ARG A 629 -2.871 7.001 -1.382 1.00 0.27 N ATOM 909 CA ARG A 629 -2.656 8.442 -1.338 1.00 0.30 C ATOM 910 C ARG A 629 -1.171 8.765 -1.511 1.00 0.32 C ATOM 911 O ARG A 629 -0.347 8.448 -0.652 1.00 0.35 O ATOM 912 CB ARG A 629 -3.195 9.003 -0.010 1.00 0.35 C ATOM 913 CG ARG A 629 -2.388 10.156 0.575 1.00 0.42 C ATOM 914 CD ARG A 629 -2.402 11.370 -0.338 1.00 0.61 C ATOM 915 NE ARG A 629 -2.254 12.617 0.409 1.00 0.73 N ATOM 916 CZ ARG A 629 -3.255 13.227 1.041 1.00 1.23 C ATOM 917 NH1 ARG A 629 -4.476 12.707 1.024 1.00 2.13 N ATOM 918 NH2 ARG A 629 -3.032 14.359 1.695 1.00 1.23 N ATOM 0 H ARG A 629 -3.026 6.571 -0.470 1.00 0.27 H new ATOM 0 HA ARG A 629 -3.196 8.913 -2.159 1.00 0.30 H new ATOM 0 HB2 ARG A 629 -4.221 9.338 -0.164 1.00 0.35 H new ATOM 0 HB3 ARG A 629 -3.230 8.195 0.721 1.00 0.35 H new ATOM 0 HG2 ARG A 629 -2.795 10.428 1.549 1.00 0.42 H new ATOM 0 HG3 ARG A 629 -1.359 9.835 0.738 1.00 0.42 H new ATOM 0 HD2 ARG A 629 -1.595 11.285 -1.066 1.00 0.61 H new ATOM 0 HD3 ARG A 629 -3.337 11.392 -0.899 1.00 0.61 H new ATOM 0 HE ARG A 629 -1.329 13.046 0.449 1.00 0.73 H new ATOM 0 HH11 ARG A 629 -4.652 11.835 0.525 1.00 2.13 H new ATOM 0 HH12 ARG A 629 -5.238 13.179 1.510 1.00 2.13 H new ATOM 0 HH21 ARG A 629 -2.095 14.761 1.713 1.00 1.23 H new ATOM 0 HH22 ARG A 629 -3.798 14.827 2.180 1.00 1.23 H new ATOM 932 N HIS A 630 -0.846 9.393 -2.637 1.00 0.34 N ATOM 933 CA HIS A 630 0.528 9.764 -2.953 1.00 0.38 C ATOM 934 C HIS A 630 0.960 10.991 -2.155 1.00 0.47 C ATOM 935 O HIS A 630 0.271 12.011 -2.145 1.00 0.61 O ATOM 936 CB HIS A 630 0.655 10.037 -4.455 1.00 0.51 C ATOM 937 CG HIS A 630 2.018 10.486 -4.885 1.00 0.44 C ATOM 938 ND1 HIS A 630 2.759 11.556 -4.513 1.00 0.76 N flip ATOM 939 CD2 HIS A 630 2.768 9.810 -5.824 1.00 0.56 C flip ATOM 940 CE1 HIS A 630 3.931 11.507 -5.227 1.00 0.74 C flip ATOM 941 NE2 HIS A 630 3.912 10.445 -6.011 1.00 0.67 N flip ATOM 0 H HIS A 630 -1.524 9.657 -3.352 1.00 0.34 H new ATOM 0 HA HIS A 630 1.183 8.937 -2.679 1.00 0.38 H new ATOM 0 HB2 HIS A 630 0.395 9.130 -5.001 1.00 0.51 H new ATOM 0 HB3 HIS A 630 -0.072 10.799 -4.737 1.00 0.51 H new ATOM 0 HD2 HIS A 630 2.468 8.903 -6.328 1.00 0.56 H new ATOM 0 HE1 HIS A 630 4.738 12.222 -5.158 1.00 0.74 H new ATOM 0 HE2 HIS A 630 4.654 10.163 -6.652 1.00 0.67 H new ATOM 950 N ALA A 631 2.105 10.884 -1.488 1.00 0.55 N ATOM 951 CA ALA A 631 2.628 11.985 -0.687 1.00 0.75 C ATOM 952 C ALA A 631 4.141 11.881 -0.535 1.00 0.79 C ATOM 953 O ALA A 631 4.655 10.905 0.011 1.00 1.36 O ATOM 954 CB ALA A 631 1.958 12.008 0.678 1.00 1.32 C ATOM 0 H ALA A 631 2.688 10.047 -1.486 1.00 0.55 H new ATOM 0 HA ALA A 631 2.405 12.918 -1.204 1.00 0.75 H new ATOM 0 HB1 ALA A 631 2.358 12.835 1.266 1.00 1.32 H new ATOM 0 HB2 ALA A 631 0.883 12.138 0.553 1.00 1.32 H new ATOM 0 HB3 ALA A 631 2.153 11.068 1.195 1.00 1.32 H new ATOM 960 N VAL A 632 4.850 12.895 -1.020 1.00 0.92 N ATOM 961 CA VAL A 632 6.306 12.918 -0.937 1.00 1.29 C ATOM 962 C VAL A 632 6.771 13.214 0.485 1.00 1.52 C ATOM 963 O VAL A 632 5.961 13.502 1.365 1.00 1.60 O ATOM 964 CB VAL A 632 6.906 13.969 -1.890 1.00 1.64 C ATOM 965 CG1 VAL A 632 6.646 13.588 -3.339 1.00 2.09 C ATOM 966 CG2 VAL A 632 6.344 15.349 -1.584 1.00 1.86 C ATOM 0 H VAL A 632 4.440 13.711 -1.474 1.00 0.92 H new ATOM 0 HA VAL A 632 6.655 11.929 -1.232 1.00 1.29 H new ATOM 0 HB VAL A 632 7.985 13.999 -1.736 1.00 1.64 H new ATOM 0 HG11 VAL A 632 7.077 14.343 -3.997 1.00 2.09 H new ATOM 0 HG12 VAL A 632 7.102 12.621 -3.548 1.00 2.09 H new ATOM 0 HG13 VAL A 632 5.572 13.527 -3.512 1.00 2.09 H new ATOM 0 HG21 VAL A 632 6.779 16.079 -2.267 1.00 1.86 H new ATOM 0 HG22 VAL A 632 5.261 15.337 -1.708 1.00 1.86 H new ATOM 0 HG23 VAL A 632 6.589 15.622 -0.557 1.00 1.86 H new ATOM 976 N GLY A 633 8.080 13.141 0.701 1.00 2.02 N ATOM 977 CA GLY A 633 8.629 13.403 2.018 1.00 2.42 C ATOM 978 C GLY A 633 8.521 14.863 2.410 1.00 2.51 C ATOM 979 O GLY A 633 8.132 15.184 3.533 1.00 2.87 O ATOM 0 H GLY A 633 8.770 12.905 -0.012 1.00 2.02 H new ATOM 0 HA2 GLY A 633 8.106 12.792 2.754 1.00 2.42 H new ATOM 0 HA3 GLY A 633 9.676 13.101 2.039 1.00 2.42 H new ATOM 983 N LYS A 634 8.869 15.751 1.484 1.00 2.72 N ATOM 984 CA LYS A 634 8.809 17.185 1.737 1.00 2.93 C ATOM 985 C LYS A 634 8.647 17.961 0.435 1.00 2.56 C ATOM 986 O LYS A 634 8.801 17.407 -0.653 1.00 2.56 O ATOM 987 CB LYS A 634 10.071 17.647 2.469 1.00 3.62 C ATOM 988 CG LYS A 634 9.896 17.754 3.975 1.00 4.09 C ATOM 989 CD LYS A 634 11.235 17.858 4.686 1.00 5.00 C ATOM 990 CE LYS A 634 11.857 19.234 4.504 1.00 5.43 C ATOM 991 NZ LYS A 634 12.626 19.659 5.706 1.00 6.07 N ATOM 0 H LYS A 634 9.196 15.501 0.551 1.00 2.72 H new ATOM 0 HA LYS A 634 7.940 17.383 2.365 1.00 2.93 H new ATOM 0 HB2 LYS A 634 10.881 16.950 2.254 1.00 3.62 H new ATOM 0 HB3 LYS A 634 10.374 18.618 2.077 1.00 3.62 H new ATOM 0 HG2 LYS A 634 9.289 18.628 4.210 1.00 4.09 H new ATOM 0 HG3 LYS A 634 9.355 16.882 4.342 1.00 4.09 H new ATOM 0 HD2 LYS A 634 11.101 17.656 5.749 1.00 5.00 H new ATOM 0 HD3 LYS A 634 11.913 17.097 4.300 1.00 5.00 H new ATOM 0 HE2 LYS A 634 12.517 19.222 3.636 1.00 5.43 H new ATOM 0 HE3 LYS A 634 11.073 19.963 4.298 1.00 5.43 H new ATOM 0 HZ1 LYS A 634 13.034 20.601 5.542 1.00 6.07 H new ATOM 0 HZ2 LYS A 634 11.991 19.695 6.529 1.00 6.07 H new ATOM 0 HZ3 LYS A 634 13.391 18.978 5.888 1.00 6.07 H new ATOM 1005 N SER A 635 8.335 19.248 0.553 1.00 2.50 N ATOM 1006 CA SER A 635 8.153 20.101 -0.616 1.00 2.28 C ATOM 1007 C SER A 635 8.914 21.413 -0.458 1.00 2.54 C ATOM 1008 O SER A 635 8.346 22.427 -0.052 1.00 2.78 O ATOM 1009 CB SER A 635 6.666 20.386 -0.837 1.00 1.99 C ATOM 1010 OG SER A 635 6.023 20.724 0.379 1.00 2.38 O ATOM 0 H SER A 635 8.203 19.723 1.446 1.00 2.50 H new ATOM 0 HA SER A 635 8.550 19.574 -1.484 1.00 2.28 H new ATOM 0 HB2 SER A 635 6.552 21.202 -1.551 1.00 1.99 H new ATOM 0 HB3 SER A 635 6.186 19.510 -1.274 1.00 1.99 H new ATOM 0 HG SER A 635 6.532 21.427 0.834 1.00 2.38 H new ATOM 1016 N MET A 636 10.203 21.386 -0.781 1.00 2.75 N ATOM 1017 CA MET A 636 11.043 22.573 -0.676 1.00 3.07 C ATOM 1018 C MET A 636 11.070 23.337 -1.996 1.00 3.22 C ATOM 1019 O MET A 636 11.563 22.836 -3.005 1.00 3.49 O ATOM 1020 CB MET A 636 12.465 22.183 -0.270 1.00 3.50 C ATOM 1021 CG MET A 636 12.611 21.870 1.210 1.00 3.96 C ATOM 1022 SD MET A 636 14.334 21.758 1.730 1.00 4.51 S ATOM 1023 CE MET A 636 14.625 23.432 2.297 1.00 5.39 C ATOM 0 H MET A 636 10.688 20.555 -1.118 1.00 2.75 H new ATOM 0 HA MET A 636 10.619 23.222 0.091 1.00 3.07 H new ATOM 0 HB2 MET A 636 12.773 21.313 -0.849 1.00 3.50 H new ATOM 0 HB3 MET A 636 13.144 22.995 -0.530 1.00 3.50 H new ATOM 0 HG2 MET A 636 12.109 22.643 1.792 1.00 3.96 H new ATOM 0 HG3 MET A 636 12.107 20.929 1.430 1.00 3.96 H new ATOM 0 HE1 MET A 636 15.652 23.523 2.651 1.00 5.39 H new ATOM 0 HE2 MET A 636 14.462 24.128 1.474 1.00 5.39 H new ATOM 0 HE3 MET A 636 13.938 23.665 3.111 1.00 5.39 H new ATOM 1033 N TYR A 637 10.536 24.556 -1.979 1.00 3.35 N ATOM 1034 CA TYR A 637 10.496 25.395 -3.174 1.00 3.79 C ATOM 1035 C TYR A 637 9.522 24.831 -4.205 1.00 3.69 C ATOM 1036 O TYR A 637 8.500 25.447 -4.509 1.00 3.97 O ATOM 1037 CB TYR A 637 11.894 25.521 -3.787 1.00 4.22 C ATOM 1038 CG TYR A 637 12.407 26.943 -3.838 1.00 4.88 C ATOM 1039 CD1 TYR A 637 12.077 27.783 -4.894 1.00 5.27 C ATOM 1040 CD2 TYR A 637 13.219 27.446 -2.829 1.00 5.39 C ATOM 1041 CE1 TYR A 637 12.544 29.084 -4.945 1.00 6.03 C ATOM 1042 CE2 TYR A 637 13.689 28.745 -2.872 1.00 6.12 C ATOM 1043 CZ TYR A 637 13.349 29.559 -3.933 1.00 6.39 C ATOM 1044 OH TYR A 637 13.815 30.853 -3.979 1.00 7.23 O ATOM 0 H TYR A 637 10.125 24.985 -1.150 1.00 3.35 H new ATOM 0 HA TYR A 637 10.149 26.385 -2.878 1.00 3.79 H new ATOM 0 HB2 TYR A 637 12.591 24.913 -3.210 1.00 4.22 H new ATOM 0 HB3 TYR A 637 11.876 25.113 -4.798 1.00 4.22 H new ATOM 0 HD1 TYR A 637 11.445 27.414 -5.688 1.00 5.27 H new ATOM 0 HD2 TYR A 637 13.487 26.811 -1.997 1.00 5.39 H new ATOM 0 HE1 TYR A 637 12.279 29.724 -5.774 1.00 6.03 H new ATOM 0 HE2 TYR A 637 14.319 29.121 -2.079 1.00 6.12 H new ATOM 0 HH TYR A 637 14.368 31.030 -3.189 1.00 7.23 H new ATOM 1054 N GLU A 638 9.844 23.658 -4.738 1.00 3.49 N ATOM 1055 CA GLU A 638 8.998 23.010 -5.733 1.00 3.43 C ATOM 1056 C GLU A 638 7.770 22.386 -5.080 1.00 2.82 C ATOM 1057 O GLU A 638 7.842 21.876 -3.962 1.00 2.54 O ATOM 1058 CB GLU A 638 9.789 21.940 -6.488 1.00 3.74 C ATOM 1059 CG GLU A 638 9.335 21.749 -7.925 1.00 4.55 C ATOM 1060 CD GLU A 638 9.294 20.289 -8.334 1.00 4.88 C ATOM 1061 OE1 GLU A 638 8.250 19.640 -8.110 1.00 5.18 O ATOM 1062 OE2 GLU A 638 10.304 19.797 -8.878 1.00 5.22 O ATOM 0 H GLU A 638 10.686 23.136 -4.497 1.00 3.49 H new ATOM 0 HA GLU A 638 8.664 23.770 -6.439 1.00 3.43 H new ATOM 0 HB2 GLU A 638 10.845 22.209 -6.482 1.00 3.74 H new ATOM 0 HB3 GLU A 638 9.699 20.992 -5.958 1.00 3.74 H new ATOM 0 HG2 GLU A 638 8.344 22.186 -8.050 1.00 4.55 H new ATOM 0 HG3 GLU A 638 10.008 22.290 -8.590 1.00 4.55 H new ATOM 1069 N SER A 639 6.644 22.432 -5.783 1.00 2.92 N ATOM 1070 CA SER A 639 5.398 21.871 -5.272 1.00 2.61 C ATOM 1071 C SER A 639 5.142 20.484 -5.861 1.00 2.18 C ATOM 1072 O SER A 639 4.669 20.361 -6.991 1.00 2.48 O ATOM 1073 CB SER A 639 4.226 22.798 -5.598 1.00 3.36 C ATOM 1074 OG SER A 639 4.204 23.918 -4.729 1.00 3.84 O ATOM 0 H SER A 639 6.568 22.852 -6.709 1.00 2.92 H new ATOM 0 HA SER A 639 5.489 21.776 -4.190 1.00 2.61 H new ATOM 0 HB2 SER A 639 4.303 23.137 -6.631 1.00 3.36 H new ATOM 0 HB3 SER A 639 3.289 22.248 -5.512 1.00 3.36 H new ATOM 0 HG SER A 639 3.447 24.496 -4.959 1.00 3.84 H new ATOM 1080 N PRO A 640 5.450 19.417 -5.102 1.00 1.88 N ATOM 1081 CA PRO A 640 5.248 18.040 -5.561 1.00 1.74 C ATOM 1082 C PRO A 640 3.776 17.645 -5.576 1.00 1.42 C ATOM 1083 O PRO A 640 2.893 18.502 -5.539 1.00 1.81 O ATOM 1084 CB PRO A 640 6.018 17.212 -4.530 1.00 2.34 C ATOM 1085 CG PRO A 640 5.982 18.032 -3.289 1.00 2.66 C ATOM 1086 CD PRO A 640 6.018 19.466 -3.741 1.00 2.31 C ATOM 0 HA PRO A 640 5.589 17.894 -6.586 1.00 1.74 H new ATOM 0 HB2 PRO A 640 5.553 16.238 -4.376 1.00 2.34 H new ATOM 0 HB3 PRO A 640 7.042 17.028 -4.854 1.00 2.34 H new ATOM 0 HG2 PRO A 640 5.081 17.827 -2.712 1.00 2.66 H new ATOM 0 HG3 PRO A 640 6.832 17.804 -2.645 1.00 2.66 H new ATOM 0 HD2 PRO A 640 5.430 20.108 -3.085 1.00 2.31 H new ATOM 0 HD3 PRO A 640 7.035 19.859 -3.745 1.00 2.31 H new ATOM 1094 N ALA A 641 3.517 16.342 -5.629 1.00 1.38 N ATOM 1095 CA ALA A 641 2.151 15.828 -5.648 1.00 1.37 C ATOM 1096 C ALA A 641 1.296 16.456 -4.550 1.00 1.20 C ATOM 1097 O ALA A 641 0.076 16.539 -4.676 1.00 1.32 O ATOM 1098 CB ALA A 641 2.162 14.315 -5.506 1.00 1.75 C ATOM 0 H ALA A 641 4.237 15.621 -5.660 1.00 1.38 H new ATOM 0 HA ALA A 641 1.706 16.097 -6.606 1.00 1.37 H new ATOM 0 HB1 ALA A 641 1.138 13.941 -5.521 1.00 1.75 H new ATOM 0 HB2 ALA A 641 2.721 13.876 -6.332 1.00 1.75 H new ATOM 0 HB3 ALA A 641 2.634 14.042 -4.562 1.00 1.75 H new ATOM 1104 N GLN A 642 1.943 16.895 -3.472 1.00 1.14 N ATOM 1105 CA GLN A 642 1.241 17.515 -2.349 1.00 1.21 C ATOM 1106 C GLN A 642 0.551 16.461 -1.486 1.00 0.97 C ATOM 1107 O GLN A 642 0.974 16.200 -0.360 1.00 1.58 O ATOM 1108 CB GLN A 642 0.216 18.540 -2.847 1.00 1.62 C ATOM 1109 CG GLN A 642 0.149 19.795 -1.991 1.00 1.95 C ATOM 1110 CD GLN A 642 0.157 21.066 -2.818 1.00 2.63 C ATOM 1111 OE1 GLN A 642 -0.724 21.915 -2.681 1.00 3.21 O ATOM 1112 NE2 GLN A 642 1.156 21.202 -3.683 1.00 3.17 N ATOM 0 H GLN A 642 2.954 16.833 -3.352 1.00 1.14 H new ATOM 0 HA GLN A 642 1.982 18.031 -1.738 1.00 1.21 H new ATOM 0 HB2 GLN A 642 0.463 18.821 -3.871 1.00 1.62 H new ATOM 0 HB3 GLN A 642 -0.769 18.074 -2.873 1.00 1.62 H new ATOM 0 HG2 GLN A 642 -0.755 19.768 -1.383 1.00 1.95 H new ATOM 0 HG3 GLN A 642 0.995 19.807 -1.304 1.00 1.95 H new ATOM 0 HE21 GLN A 642 1.864 20.472 -3.763 1.00 3.17 H new ATOM 0 HE22 GLN A 642 1.215 22.036 -4.267 1.00 3.17 H new ATOM 1121 N GLY A 643 -0.511 15.859 -2.015 1.00 0.66 N ATOM 1122 CA GLY A 643 -1.229 14.844 -1.264 1.00 0.52 C ATOM 1123 C GLY A 643 -2.452 14.317 -1.989 1.00 0.48 C ATOM 1124 O GLY A 643 -3.574 14.446 -1.497 1.00 0.59 O ATOM 0 H GLY A 643 -0.885 16.054 -2.944 1.00 0.66 H new ATOM 0 HA2 GLY A 643 -0.555 14.014 -1.051 1.00 0.52 H new ATOM 0 HA3 GLY A 643 -1.535 15.260 -0.304 1.00 0.52 H new ATOM 1128 N LEU A 644 -2.239 13.713 -3.153 1.00 0.41 N ATOM 1129 CA LEU A 644 -3.336 13.154 -3.938 1.00 0.38 C ATOM 1130 C LEU A 644 -3.290 11.624 -3.895 1.00 0.32 C ATOM 1131 O LEU A 644 -2.677 11.052 -2.998 1.00 0.34 O ATOM 1132 CB LEU A 644 -3.271 13.679 -5.373 1.00 0.38 C ATOM 1133 CG LEU A 644 -3.609 15.167 -5.514 1.00 0.50 C ATOM 1134 CD1 LEU A 644 -2.347 15.993 -5.711 1.00 1.23 C ATOM 1135 CD2 LEU A 644 -4.580 15.392 -6.663 1.00 1.42 C ATOM 0 H LEU A 644 -1.317 13.597 -3.575 1.00 0.41 H new ATOM 0 HA LEU A 644 -4.287 13.469 -3.508 1.00 0.38 H new ATOM 0 HB2 LEU A 644 -2.269 13.507 -5.766 1.00 0.38 H new ATOM 0 HB3 LEU A 644 -3.959 13.102 -5.991 1.00 0.38 H new ATOM 0 HG LEU A 644 -4.088 15.493 -4.591 1.00 0.50 H new ATOM 0 HD11 LEU A 644 -2.613 17.046 -5.809 1.00 1.23 H new ATOM 0 HD12 LEU A 644 -1.689 15.863 -4.852 1.00 1.23 H new ATOM 0 HD13 LEU A 644 -1.834 15.663 -6.614 1.00 1.23 H new ATOM 0 HD21 LEU A 644 -4.806 16.455 -6.745 1.00 1.42 H new ATOM 0 HD22 LEU A 644 -4.130 15.044 -7.593 1.00 1.42 H new ATOM 0 HD23 LEU A 644 -5.500 14.839 -6.475 1.00 1.42 H new ATOM 1147 N ASP A 645 -3.951 10.957 -4.840 1.00 0.31 N ATOM 1148 CA ASP A 645 -3.972 9.494 -4.852 1.00 0.27 C ATOM 1149 C ASP A 645 -3.371 8.914 -6.129 1.00 0.26 C ATOM 1150 O ASP A 645 -3.492 9.492 -7.207 1.00 0.30 O ATOM 1151 CB ASP A 645 -5.404 8.977 -4.680 1.00 0.30 C ATOM 1152 CG ASP A 645 -6.191 9.770 -3.653 1.00 0.60 C ATOM 1153 OD1 ASP A 645 -6.420 10.976 -3.883 1.00 1.13 O ATOM 1154 OD2 ASP A 645 -6.579 9.183 -2.621 1.00 1.47 O ATOM 0 H ASP A 645 -4.472 11.398 -5.598 1.00 0.31 H new ATOM 0 HA ASP A 645 -3.357 9.164 -4.015 1.00 0.27 H new ATOM 0 HB2 ASP A 645 -5.919 9.020 -5.639 1.00 0.30 H new ATOM 0 HB3 ASP A 645 -5.375 7.929 -4.380 1.00 0.30 H new ATOM 1159 N ASP A 646 -2.733 7.755 -5.988 1.00 0.23 N ATOM 1160 CA ASP A 646 -2.114 7.059 -7.113 1.00 0.24 C ATOM 1161 C ASP A 646 -2.575 5.603 -7.139 1.00 0.23 C ATOM 1162 O ASP A 646 -3.042 5.080 -6.127 1.00 0.31 O ATOM 1163 CB ASP A 646 -0.588 7.122 -7.005 1.00 0.27 C ATOM 1164 CG ASP A 646 0.024 8.072 -8.015 1.00 0.38 C ATOM 1165 OD1 ASP A 646 0.114 7.697 -9.203 1.00 1.09 O ATOM 1166 OD2 ASP A 646 0.416 9.189 -7.617 1.00 1.23 O ATOM 0 H ASP A 646 -2.631 7.273 -5.095 1.00 0.23 H new ATOM 0 HA ASP A 646 -2.418 7.548 -8.038 1.00 0.24 H new ATOM 0 HB2 ASP A 646 -0.310 7.437 -5.999 1.00 0.27 H new ATOM 0 HB3 ASP A 646 -0.175 6.124 -7.152 1.00 0.27 H new ATOM 1171 N ILE A 647 -2.449 4.945 -8.290 1.00 0.21 N ATOM 1172 CA ILE A 647 -2.866 3.552 -8.403 1.00 0.21 C ATOM 1173 C ILE A 647 -1.679 2.609 -8.520 1.00 0.20 C ATOM 1174 O ILE A 647 -0.828 2.756 -9.397 1.00 0.24 O ATOM 1175 CB ILE A 647 -3.817 3.322 -9.591 1.00 0.26 C ATOM 1176 CG1 ILE A 647 -3.255 3.939 -10.874 1.00 0.23 C ATOM 1177 CG2 ILE A 647 -5.185 3.897 -9.266 1.00 0.35 C ATOM 1178 CD1 ILE A 647 -3.614 3.161 -12.126 1.00 0.29 C ATOM 0 H ILE A 647 -2.067 5.348 -9.145 1.00 0.21 H new ATOM 0 HA ILE A 647 -3.403 3.330 -7.481 1.00 0.21 H new ATOM 0 HB ILE A 647 -3.914 2.250 -9.761 1.00 0.26 H new ATOM 0 HG12 ILE A 647 -3.627 4.959 -10.970 1.00 0.23 H new ATOM 0 HG13 ILE A 647 -2.170 4.001 -10.793 1.00 0.23 H new ATOM 0 HG21 ILE A 647 -5.858 3.734 -10.108 1.00 0.35 H new ATOM 0 HG22 ILE A 647 -5.586 3.404 -8.380 1.00 0.35 H new ATOM 0 HG23 ILE A 647 -5.094 4.967 -9.076 1.00 0.35 H new ATOM 0 HD11 ILE A 647 -3.183 3.655 -12.997 1.00 0.29 H new ATOM 0 HD12 ILE A 647 -3.219 2.148 -12.051 1.00 0.29 H new ATOM 0 HD13 ILE A 647 -4.698 3.121 -12.231 1.00 0.29 H new ATOM 1190 N TRP A 648 -1.639 1.639 -7.616 1.00 0.19 N ATOM 1191 CA TRP A 648 -0.572 0.648 -7.580 1.00 0.19 C ATOM 1192 C TRP A 648 -1.063 -0.703 -8.086 1.00 0.19 C ATOM 1193 O TRP A 648 -2.162 -1.136 -7.750 1.00 0.24 O ATOM 1194 CB TRP A 648 -0.057 0.492 -6.148 1.00 0.20 C ATOM 1195 CG TRP A 648 0.449 1.767 -5.554 1.00 0.21 C ATOM 1196 CD1 TRP A 648 -0.249 2.655 -4.785 1.00 0.23 C ATOM 1197 CD2 TRP A 648 1.772 2.294 -5.678 1.00 0.25 C ATOM 1198 NE1 TRP A 648 0.560 3.709 -4.434 1.00 0.26 N ATOM 1199 CE2 TRP A 648 1.806 3.507 -4.969 1.00 0.27 C ATOM 1200 CE3 TRP A 648 2.929 1.855 -6.324 1.00 0.29 C ATOM 1201 CZ2 TRP A 648 2.956 4.287 -4.888 1.00 0.34 C ATOM 1202 CZ3 TRP A 648 4.068 2.628 -6.243 1.00 0.36 C ATOM 1203 CH2 TRP A 648 4.075 3.833 -5.529 1.00 0.37 C ATOM 0 H TRP A 648 -2.344 1.517 -6.889 1.00 0.19 H new ATOM 0 HA TRP A 648 0.233 0.993 -8.229 1.00 0.19 H new ATOM 0 HB2 TRP A 648 -0.860 0.102 -5.522 1.00 0.20 H new ATOM 0 HB3 TRP A 648 0.744 -0.248 -6.137 1.00 0.20 H new ATOM 0 HD1 TRP A 648 -1.284 2.545 -4.496 1.00 0.23 H new ATOM 0 HE1 TRP A 648 0.279 4.510 -3.868 1.00 0.26 H new ATOM 0 HE3 TRP A 648 2.932 0.927 -6.877 1.00 0.29 H new ATOM 0 HZ2 TRP A 648 2.964 5.217 -4.339 1.00 0.34 H new ATOM 0 HZ3 TRP A 648 4.970 2.299 -6.738 1.00 0.36 H new ATOM 0 HH2 TRP A 648 4.983 4.416 -5.484 1.00 0.37 H new ATOM 1214 N TYR A 649 -0.235 -1.378 -8.875 1.00 0.19 N ATOM 1215 CA TYR A 649 -0.591 -2.692 -9.396 1.00 0.19 C ATOM 1216 C TYR A 649 0.041 -3.775 -8.531 1.00 0.23 C ATOM 1217 O TYR A 649 1.264 -3.861 -8.423 1.00 0.28 O ATOM 1218 CB TYR A 649 -0.133 -2.841 -10.849 1.00 0.22 C ATOM 1219 CG TYR A 649 -0.134 -4.271 -11.348 1.00 0.23 C ATOM 1220 CD1 TYR A 649 0.931 -5.121 -11.076 1.00 0.60 C ATOM 1221 CD2 TYR A 649 -1.200 -4.772 -12.087 1.00 0.38 C ATOM 1222 CE1 TYR A 649 0.935 -6.427 -11.525 1.00 0.62 C ATOM 1223 CE2 TYR A 649 -1.203 -6.078 -12.539 1.00 0.40 C ATOM 1224 CZ TYR A 649 -0.133 -6.901 -12.256 1.00 0.29 C ATOM 1225 OH TYR A 649 -0.133 -8.202 -12.705 1.00 0.34 O ATOM 0 H TYR A 649 0.682 -1.040 -9.166 1.00 0.19 H new ATOM 0 HA TYR A 649 -1.676 -2.797 -9.369 1.00 0.19 H new ATOM 0 HB2 TYR A 649 -0.783 -2.243 -11.488 1.00 0.22 H new ATOM 0 HB3 TYR A 649 0.873 -2.433 -10.946 1.00 0.22 H new ATOM 0 HD1 TYR A 649 1.770 -4.754 -10.504 1.00 0.60 H new ATOM 0 HD2 TYR A 649 -2.039 -4.130 -12.311 1.00 0.38 H new ATOM 0 HE1 TYR A 649 1.771 -7.074 -11.304 1.00 0.62 H new ATOM 0 HE2 TYR A 649 -2.039 -6.452 -13.111 1.00 0.40 H new ATOM 0 HH TYR A 649 -1.049 -8.550 -12.699 1.00 0.34 H new ATOM 1235 N CYS A 650 -0.796 -4.592 -7.908 1.00 0.22 N ATOM 1236 CA CYS A 650 -0.312 -5.661 -7.042 1.00 0.27 C ATOM 1237 C CYS A 650 -0.469 -7.024 -7.708 1.00 0.24 C ATOM 1238 O CYS A 650 -1.527 -7.345 -8.244 1.00 0.29 O ATOM 1239 CB CYS A 650 -1.065 -5.642 -5.710 1.00 0.34 C ATOM 1240 SG CYS A 650 -1.360 -3.983 -5.049 1.00 0.76 S ATOM 0 H CYS A 650 -1.812 -4.537 -7.985 1.00 0.22 H new ATOM 0 HA CYS A 650 0.749 -5.491 -6.859 1.00 0.27 H new ATOM 0 HB2 CYS A 650 -2.023 -6.145 -5.840 1.00 0.34 H new ATOM 0 HB3 CYS A 650 -0.499 -6.218 -4.977 1.00 0.34 H new ATOM 0 HG CYS A 650 -2.519 -3.950 -4.461 1.00 0.76 H new ATOM 1246 N HIS A 651 0.593 -7.824 -7.665 1.00 0.23 N ATOM 1247 CA HIS A 651 0.567 -9.157 -8.261 1.00 0.21 C ATOM 1248 C HIS A 651 0.662 -10.237 -7.187 1.00 0.21 C ATOM 1249 O HIS A 651 1.593 -10.243 -6.379 1.00 0.25 O ATOM 1250 CB HIS A 651 1.709 -9.320 -9.268 1.00 0.25 C ATOM 1251 CG HIS A 651 1.753 -10.673 -9.913 1.00 0.27 C ATOM 1252 ND1 HIS A 651 1.255 -10.926 -11.175 1.00 0.31 N ATOM 1253 CD2 HIS A 651 2.245 -11.850 -9.462 1.00 0.34 C ATOM 1254 CE1 HIS A 651 1.440 -12.203 -11.471 1.00 0.34 C ATOM 1255 NE2 HIS A 651 2.038 -12.783 -10.448 1.00 0.35 N ATOM 0 H HIS A 651 1.479 -7.574 -7.226 1.00 0.23 H new ATOM 0 HA HIS A 651 -0.383 -9.270 -8.783 1.00 0.21 H new ATOM 0 HB2 HIS A 651 1.610 -8.560 -10.043 1.00 0.25 H new ATOM 0 HB3 HIS A 651 2.657 -9.137 -8.762 1.00 0.25 H new ATOM 0 HD2 HIS A 651 2.713 -12.023 -8.504 1.00 0.34 H new ATOM 0 HE1 HIS A 651 1.151 -12.687 -12.392 1.00 0.34 H new ATOM 0 HE2 HIS A 651 2.304 -13.766 -10.398 1.00 0.35 H new ATOM 1264 N THR A 652 -0.307 -11.149 -7.191 1.00 0.21 N ATOM 1265 CA THR A 652 -0.344 -12.244 -6.225 1.00 0.22 C ATOM 1266 C THR A 652 -0.334 -13.601 -6.921 1.00 0.22 C ATOM 1267 O THR A 652 -0.528 -14.634 -6.282 1.00 0.28 O ATOM 1268 CB THR A 652 -1.588 -12.154 -5.322 1.00 0.24 C ATOM 1269 OG1 THR A 652 -2.702 -11.652 -6.068 1.00 0.49 O ATOM 1270 CG2 THR A 652 -1.323 -11.251 -4.126 1.00 0.41 C ATOM 0 H THR A 652 -1.081 -11.151 -7.856 1.00 0.21 H new ATOM 0 HA THR A 652 0.552 -12.150 -5.612 1.00 0.22 H new ATOM 0 HB THR A 652 -1.819 -13.155 -4.958 1.00 0.24 H new ATOM 0 HG1 THR A 652 -2.846 -12.214 -6.858 1.00 0.49 H new ATOM 0 HG21 THR A 652 -2.215 -11.202 -3.502 1.00 0.41 H new ATOM 0 HG22 THR A 652 -0.494 -11.653 -3.543 1.00 0.41 H new ATOM 0 HG23 THR A 652 -1.069 -10.250 -4.475 1.00 0.41 H new ATOM 1278 N GLY A 653 -0.103 -13.597 -8.231 1.00 0.19 N ATOM 1279 CA GLY A 653 -0.066 -14.838 -8.980 1.00 0.21 C ATOM 1280 C GLY A 653 1.299 -15.494 -8.927 1.00 0.22 C ATOM 1281 O GLY A 653 2.320 -14.808 -8.863 1.00 0.31 O ATOM 0 H GLY A 653 0.059 -12.756 -8.786 1.00 0.19 H new ATOM 0 HA2 GLY A 653 -0.813 -15.524 -8.582 1.00 0.21 H new ATOM 0 HA3 GLY A 653 -0.334 -14.643 -10.018 1.00 0.21 H new ATOM 1285 N THR A 654 1.321 -16.820 -8.946 1.00 0.21 N ATOM 1286 CA THR A 654 2.575 -17.562 -8.891 1.00 0.23 C ATOM 1287 C THR A 654 3.283 -17.568 -10.246 1.00 0.24 C ATOM 1288 O THR A 654 4.472 -17.878 -10.331 1.00 0.29 O ATOM 1289 CB THR A 654 2.347 -19.016 -8.441 1.00 0.28 C ATOM 1290 OG1 THR A 654 1.561 -19.040 -7.243 1.00 0.60 O ATOM 1291 CG2 THR A 654 3.673 -19.721 -8.197 1.00 0.58 C ATOM 0 H THR A 654 0.486 -17.404 -8.999 1.00 0.21 H new ATOM 0 HA THR A 654 3.205 -17.054 -8.161 1.00 0.23 H new ATOM 0 HB THR A 654 1.815 -19.540 -9.235 1.00 0.28 H new ATOM 0 HG1 THR A 654 1.550 -18.146 -6.841 1.00 0.60 H new ATOM 0 HG21 THR A 654 3.487 -20.747 -7.880 1.00 0.58 H new ATOM 0 HG22 THR A 654 4.257 -19.726 -9.117 1.00 0.58 H new ATOM 0 HG23 THR A 654 4.227 -19.196 -7.419 1.00 0.58 H new ATOM 1299 N ASN A 655 2.550 -17.230 -11.304 1.00 0.25 N ATOM 1300 CA ASN A 655 3.116 -17.205 -12.650 1.00 0.27 C ATOM 1301 C ASN A 655 3.835 -15.885 -12.939 1.00 0.23 C ATOM 1302 O ASN A 655 4.343 -15.684 -14.040 1.00 0.24 O ATOM 1303 CB ASN A 655 2.017 -17.439 -13.689 1.00 0.32 C ATOM 1304 CG ASN A 655 1.991 -18.871 -14.188 1.00 0.78 C ATOM 1305 OD1 ASN A 655 3.029 -19.526 -14.286 1.00 1.75 O ATOM 1306 ND2 ASN A 655 0.800 -19.366 -14.507 1.00 0.51 N ATOM 0 H ASN A 655 1.565 -16.970 -11.256 1.00 0.25 H new ATOM 0 HA ASN A 655 3.852 -18.006 -12.712 1.00 0.27 H new ATOM 0 HB2 ASN A 655 1.049 -17.191 -13.253 1.00 0.32 H new ATOM 0 HB3 ASN A 655 2.168 -16.765 -14.533 1.00 0.32 H new ATOM 0 HD21 ASN A 655 0.721 -20.324 -14.848 1.00 0.51 H new ATOM 0 HD22 ASN A 655 -0.035 -18.788 -14.410 1.00 0.51 H new ATOM 1313 N VAL A 656 3.878 -14.997 -11.940 1.00 0.21 N ATOM 1314 CA VAL A 656 4.539 -13.691 -12.069 1.00 0.20 C ATOM 1315 C VAL A 656 4.110 -12.946 -13.334 1.00 0.22 C ATOM 1316 O VAL A 656 4.132 -13.486 -14.439 1.00 0.36 O ATOM 1317 CB VAL A 656 6.092 -13.801 -12.014 1.00 0.31 C ATOM 1318 CG1 VAL A 656 6.579 -15.180 -12.438 1.00 0.92 C ATOM 1319 CG2 VAL A 656 6.759 -12.721 -12.859 1.00 0.97 C ATOM 0 H VAL A 656 3.459 -15.160 -11.024 1.00 0.21 H new ATOM 0 HA VAL A 656 4.212 -13.112 -11.206 1.00 0.20 H new ATOM 0 HB VAL A 656 6.379 -13.649 -10.974 1.00 0.31 H new ATOM 0 HG11 VAL A 656 7.667 -15.214 -12.385 1.00 0.92 H new ATOM 0 HG12 VAL A 656 6.160 -15.934 -11.772 1.00 0.92 H new ATOM 0 HG13 VAL A 656 6.259 -15.380 -13.461 1.00 0.92 H new ATOM 0 HG21 VAL A 656 7.842 -12.828 -12.797 1.00 0.97 H new ATOM 0 HG22 VAL A 656 6.443 -12.824 -13.897 1.00 0.97 H new ATOM 0 HG23 VAL A 656 6.470 -11.738 -12.487 1.00 0.97 H new ATOM 1329 N SER A 657 3.737 -11.684 -13.154 1.00 0.24 N ATOM 1330 CA SER A 657 3.318 -10.836 -14.265 1.00 0.27 C ATOM 1331 C SER A 657 4.459 -9.915 -14.684 1.00 0.25 C ATOM 1332 O SER A 657 5.443 -9.769 -13.960 1.00 0.24 O ATOM 1333 CB SER A 657 2.091 -10.008 -13.878 1.00 0.34 C ATOM 1334 OG SER A 657 2.357 -9.199 -12.745 1.00 1.22 O ATOM 0 H SER A 657 3.716 -11.223 -12.244 1.00 0.24 H new ATOM 0 HA SER A 657 3.053 -11.477 -15.106 1.00 0.27 H new ATOM 0 HB2 SER A 657 1.794 -9.378 -14.717 1.00 0.34 H new ATOM 0 HB3 SER A 657 1.253 -10.672 -13.666 1.00 0.34 H new ATOM 0 HG SER A 657 1.722 -9.417 -12.031 1.00 1.22 H new ATOM 1340 N TYR A 658 4.331 -9.297 -15.853 1.00 0.26 N ATOM 1341 CA TYR A 658 5.368 -8.395 -16.347 1.00 0.26 C ATOM 1342 C TYR A 658 4.794 -7.018 -16.656 1.00 0.23 C ATOM 1343 O TYR A 658 3.904 -6.879 -17.489 1.00 0.23 O ATOM 1344 CB TYR A 658 6.025 -8.980 -17.598 1.00 0.30 C ATOM 1345 CG TYR A 658 6.833 -10.230 -17.330 1.00 0.34 C ATOM 1346 CD1 TYR A 658 8.175 -10.150 -16.979 1.00 0.53 C ATOM 1347 CD2 TYR A 658 6.254 -11.489 -17.427 1.00 0.66 C ATOM 1348 CE1 TYR A 658 8.917 -11.290 -16.733 1.00 0.69 C ATOM 1349 CE2 TYR A 658 6.989 -12.633 -17.182 1.00 0.83 C ATOM 1350 CZ TYR A 658 8.319 -12.529 -16.835 1.00 0.75 C ATOM 1351 OH TYR A 658 9.055 -13.665 -16.591 1.00 0.98 O ATOM 0 H TYR A 658 3.527 -9.402 -16.472 1.00 0.26 H new ATOM 0 HA TYR A 658 6.120 -8.285 -15.566 1.00 0.26 H new ATOM 0 HB2 TYR A 658 5.252 -9.208 -18.331 1.00 0.30 H new ATOM 0 HB3 TYR A 658 6.674 -8.226 -18.043 1.00 0.30 H new ATOM 0 HD1 TYR A 658 8.646 -9.182 -16.897 1.00 0.53 H new ATOM 0 HD2 TYR A 658 5.212 -11.575 -17.698 1.00 0.66 H new ATOM 0 HE1 TYR A 658 9.960 -11.211 -16.462 1.00 0.69 H new ATOM 0 HE2 TYR A 658 6.524 -13.604 -17.262 1.00 0.83 H new ATOM 0 HH TYR A 658 8.485 -14.454 -16.704 1.00 0.98 H new ATOM 1361 N LEU A 659 5.312 -5.998 -15.979 1.00 0.24 N ATOM 1362 CA LEU A 659 4.845 -4.631 -16.183 1.00 0.24 C ATOM 1363 C LEU A 659 5.802 -3.855 -17.081 1.00 0.25 C ATOM 1364 O LEU A 659 6.843 -3.378 -16.628 1.00 0.29 O ATOM 1365 CB LEU A 659 4.699 -3.925 -14.833 1.00 0.27 C ATOM 1366 CG LEU A 659 4.139 -2.489 -14.863 1.00 0.46 C ATOM 1367 CD1 LEU A 659 3.514 -2.153 -16.206 1.00 0.99 C ATOM 1368 CD2 LEU A 659 3.117 -2.295 -13.756 1.00 1.10 C ATOM 0 H LEU A 659 6.054 -6.092 -15.285 1.00 0.24 H new ATOM 0 HA LEU A 659 3.874 -4.669 -16.676 1.00 0.24 H new ATOM 0 HB2 LEU A 659 4.050 -4.531 -14.200 1.00 0.27 H new ATOM 0 HB3 LEU A 659 5.678 -3.899 -14.354 1.00 0.27 H new ATOM 0 HG LEU A 659 4.978 -1.811 -14.705 1.00 0.46 H new ATOM 0 HD11 LEU A 659 3.132 -1.132 -16.184 1.00 0.99 H new ATOM 0 HD12 LEU A 659 4.266 -2.242 -16.990 1.00 0.99 H new ATOM 0 HD13 LEU A 659 2.695 -2.843 -16.409 1.00 0.99 H new ATOM 0 HD21 LEU A 659 2.732 -1.276 -13.791 1.00 1.10 H new ATOM 0 HD22 LEU A 659 2.296 -2.999 -13.892 1.00 1.10 H new ATOM 0 HD23 LEU A 659 3.590 -2.471 -12.790 1.00 1.10 H new ATOM 1380 N ASN A 660 5.439 -3.731 -18.353 1.00 0.26 N ATOM 1381 CA ASN A 660 6.262 -3.012 -19.319 1.00 0.29 C ATOM 1382 C ASN A 660 7.630 -3.672 -19.469 1.00 0.32 C ATOM 1383 O ASN A 660 7.858 -4.439 -20.403 1.00 0.36 O ATOM 1384 CB ASN A 660 6.423 -1.550 -18.895 1.00 0.32 C ATOM 1385 CG ASN A 660 5.417 -0.638 -19.572 1.00 1.08 C ATOM 1386 OD1 ASN A 660 4.320 -0.417 -19.060 1.00 2.17 O ATOM 1387 ND2 ASN A 660 5.788 -0.104 -20.729 1.00 1.11 N ATOM 0 H ASN A 660 4.579 -4.120 -18.740 1.00 0.26 H new ATOM 0 HA ASN A 660 5.759 -3.046 -20.286 1.00 0.29 H new ATOM 0 HB2 ASN A 660 6.309 -1.473 -17.814 1.00 0.32 H new ATOM 0 HB3 ASN A 660 7.432 -1.214 -19.134 1.00 0.32 H new ATOM 0 HD21 ASN A 660 5.154 0.517 -21.231 1.00 1.11 H new ATOM 0 HD22 ASN A 660 6.708 -0.315 -21.117 1.00 1.11 H new ATOM 1394 N ASN A 661 8.537 -3.368 -18.545 1.00 0.34 N ATOM 1395 CA ASN A 661 9.881 -3.935 -18.584 1.00 0.40 C ATOM 1396 C ASN A 661 10.352 -4.369 -17.196 1.00 0.40 C ATOM 1397 O ASN A 661 11.509 -4.753 -17.023 1.00 0.47 O ATOM 1398 CB ASN A 661 10.863 -2.921 -19.172 1.00 0.47 C ATOM 1399 CG ASN A 661 10.949 -3.007 -20.682 1.00 1.23 C ATOM 1400 OD1 ASN A 661 10.293 -3.841 -21.307 1.00 2.02 O ATOM 1401 ND2 ASN A 661 11.762 -2.142 -21.280 1.00 1.95 N ATOM 0 H ASN A 661 8.367 -2.735 -17.763 1.00 0.34 H new ATOM 0 HA ASN A 661 9.847 -4.821 -19.219 1.00 0.40 H new ATOM 0 HB2 ASN A 661 10.557 -1.915 -18.885 1.00 0.47 H new ATOM 0 HB3 ASN A 661 11.852 -3.087 -18.745 1.00 0.47 H new ATOM 0 HD21 ASN A 661 11.861 -2.153 -22.295 1.00 1.95 H new ATOM 0 HD22 ASN A 661 12.287 -1.467 -20.724 1.00 1.95 H new ATOM 1408 N ASN A 662 9.461 -4.309 -16.206 1.00 0.37 N ATOM 1409 CA ASN A 662 9.816 -4.700 -14.847 1.00 0.38 C ATOM 1410 C ASN A 662 9.150 -6.017 -14.462 1.00 0.35 C ATOM 1411 O ASN A 662 7.998 -6.269 -14.815 1.00 0.34 O ATOM 1412 CB ASN A 662 9.420 -3.604 -13.857 1.00 0.40 C ATOM 1413 CG ASN A 662 9.839 -2.224 -14.328 1.00 0.91 C ATOM 1414 OD1 ASN A 662 9.254 -1.669 -15.258 1.00 1.76 O ATOM 1415 ND2 ASN A 662 10.859 -1.666 -13.687 1.00 1.36 N ATOM 0 H ASN A 662 8.497 -3.996 -16.320 1.00 0.37 H new ATOM 0 HA ASN A 662 10.896 -4.840 -14.810 1.00 0.38 H new ATOM 0 HB2 ASN A 662 8.340 -3.623 -13.710 1.00 0.40 H new ATOM 0 HB3 ASN A 662 9.877 -3.809 -12.889 1.00 0.40 H new ATOM 0 HD21 ASN A 662 11.188 -0.740 -13.960 1.00 1.36 H new ATOM 0 HD22 ASN A 662 11.314 -2.163 -12.921 1.00 1.36 H new ATOM 1422 N ARG A 663 9.885 -6.856 -13.737 1.00 0.35 N ATOM 1423 CA ARG A 663 9.372 -8.150 -13.303 1.00 0.33 C ATOM 1424 C ARG A 663 8.397 -7.989 -12.142 1.00 0.34 C ATOM 1425 O ARG A 663 8.604 -7.159 -11.256 1.00 0.44 O ATOM 1426 CB ARG A 663 10.524 -9.068 -12.893 1.00 0.44 C ATOM 1427 CG ARG A 663 10.254 -10.540 -13.160 1.00 0.81 C ATOM 1428 CD ARG A 663 11.308 -11.425 -12.514 1.00 0.79 C ATOM 1429 NE ARG A 663 12.351 -11.814 -13.460 1.00 1.36 N ATOM 1430 CZ ARG A 663 13.424 -12.527 -13.126 1.00 1.81 C ATOM 1431 NH1 ARG A 663 13.600 -12.932 -11.873 1.00 2.37 N ATOM 1432 NH2 ARG A 663 14.326 -12.839 -14.049 1.00 2.33 N ATOM 0 H ARG A 663 10.840 -6.661 -13.438 1.00 0.35 H new ATOM 0 HA ARG A 663 8.839 -8.599 -14.141 1.00 0.33 H new ATOM 0 HB2 ARG A 663 11.424 -8.769 -13.430 1.00 0.44 H new ATOM 0 HB3 ARG A 663 10.726 -8.931 -11.831 1.00 0.44 H new ATOM 0 HG2 ARG A 663 9.269 -10.806 -12.776 1.00 0.81 H new ATOM 0 HG3 ARG A 663 10.236 -10.719 -14.235 1.00 0.81 H new ATOM 0 HD2 ARG A 663 11.759 -10.897 -11.674 1.00 0.79 H new ATOM 0 HD3 ARG A 663 10.833 -12.319 -12.110 1.00 0.79 H new ATOM 0 HE ARG A 663 12.251 -11.522 -14.432 1.00 1.36 H new ATOM 0 HH11 ARG A 663 12.910 -12.697 -11.159 1.00 2.37 H new ATOM 0 HH12 ARG A 663 14.425 -13.478 -11.625 1.00 2.37 H new ATOM 0 HH21 ARG A 663 14.196 -12.532 -15.013 1.00 2.33 H new ATOM 0 HH22 ARG A 663 15.149 -13.385 -13.794 1.00 2.33 H new ATOM 1446 N MET A 664 7.334 -8.787 -12.151 1.00 0.30 N ATOM 1447 CA MET A 664 6.327 -8.731 -11.097 1.00 0.39 C ATOM 1448 C MET A 664 6.125 -10.104 -10.466 1.00 0.32 C ATOM 1449 O MET A 664 5.326 -10.907 -10.947 1.00 0.39 O ATOM 1450 CB MET A 664 4.997 -8.219 -11.655 1.00 0.50 C ATOM 1451 CG MET A 664 5.149 -7.122 -12.696 1.00 0.71 C ATOM 1452 SD MET A 664 5.559 -5.526 -11.968 1.00 1.13 S ATOM 1453 CE MET A 664 4.162 -5.289 -10.873 1.00 0.65 C ATOM 0 H MET A 664 7.148 -9.480 -12.876 1.00 0.30 H new ATOM 0 HA MET A 664 6.682 -8.042 -10.330 1.00 0.39 H new ATOM 0 HB2 MET A 664 4.454 -9.054 -12.098 1.00 0.50 H new ATOM 0 HB3 MET A 664 4.389 -7.844 -10.832 1.00 0.50 H new ATOM 0 HG2 MET A 664 5.928 -7.404 -13.405 1.00 0.71 H new ATOM 0 HG3 MET A 664 4.221 -7.032 -13.261 1.00 0.71 H new ATOM 0 HE1 MET A 664 3.551 -4.463 -11.236 1.00 0.65 H new ATOM 0 HE2 MET A 664 3.563 -6.199 -10.846 1.00 0.65 H new ATOM 0 HE3 MET A 664 4.521 -5.061 -9.869 1.00 0.65 H new ATOM 1463 N ILE A 665 6.851 -10.368 -9.386 1.00 0.30 N ATOM 1464 CA ILE A 665 6.745 -11.645 -8.694 1.00 0.34 C ATOM 1465 C ILE A 665 5.630 -11.611 -7.655 1.00 0.27 C ATOM 1466 O ILE A 665 5.253 -10.545 -7.170 1.00 0.27 O ATOM 1467 CB ILE A 665 8.069 -12.027 -8.003 1.00 0.47 C ATOM 1468 CG1 ILE A 665 8.404 -11.026 -6.895 1.00 0.52 C ATOM 1469 CG2 ILE A 665 9.197 -12.095 -9.021 1.00 0.52 C ATOM 1470 CD1 ILE A 665 9.665 -11.368 -6.131 1.00 0.66 C ATOM 0 H ILE A 665 7.517 -9.716 -8.972 1.00 0.30 H new ATOM 0 HA ILE A 665 6.514 -12.396 -9.449 1.00 0.34 H new ATOM 0 HB ILE A 665 7.952 -13.012 -7.551 1.00 0.47 H new ATOM 0 HG12 ILE A 665 8.513 -10.034 -7.334 1.00 0.52 H new ATOM 0 HG13 ILE A 665 7.568 -10.976 -6.197 1.00 0.52 H new ATOM 0 HG21 ILE A 665 10.125 -12.366 -8.518 1.00 0.52 H new ATOM 0 HG22 ILE A 665 8.961 -12.845 -9.776 1.00 0.52 H new ATOM 0 HG23 ILE A 665 9.314 -11.123 -9.500 1.00 0.52 H new ATOM 0 HD11 ILE A 665 9.840 -10.616 -5.362 1.00 0.66 H new ATOM 0 HD12 ILE A 665 9.553 -12.346 -5.663 1.00 0.66 H new ATOM 0 HD13 ILE A 665 10.512 -11.389 -6.817 1.00 0.66 H new ATOM 1482 N GLN A 666 5.107 -12.784 -7.316 1.00 0.28 N ATOM 1483 CA GLN A 666 4.032 -12.892 -6.334 1.00 0.26 C ATOM 1484 C GLN A 666 4.338 -12.070 -5.085 1.00 0.24 C ATOM 1485 O GLN A 666 5.269 -12.373 -4.340 1.00 0.31 O ATOM 1486 CB GLN A 666 3.808 -14.354 -5.953 1.00 0.33 C ATOM 1487 CG GLN A 666 2.668 -14.546 -4.970 1.00 0.54 C ATOM 1488 CD GLN A 666 2.177 -15.977 -4.916 1.00 0.29 C ATOM 1489 OE1 GLN A 666 1.271 -16.321 -5.820 1.00 0.41 O flip ATOM 1490 NE2 GLN A 666 2.605 -16.763 -4.070 1.00 0.47 N flip ATOM 0 H GLN A 666 5.410 -13.676 -7.707 1.00 0.28 H new ATOM 0 HA GLN A 666 3.124 -12.496 -6.788 1.00 0.26 H new ATOM 0 HB2 GLN A 666 3.603 -14.931 -6.855 1.00 0.33 H new ATOM 0 HB3 GLN A 666 4.724 -14.755 -5.520 1.00 0.33 H new ATOM 0 HG2 GLN A 666 2.996 -14.241 -3.976 1.00 0.54 H new ATOM 0 HG3 GLN A 666 1.841 -13.893 -5.247 1.00 0.54 H new ATOM 0 HE21 GLN A 666 3.303 -16.454 -3.393 1.00 0.47 H new ATOM 0 HE22 GLN A 666 2.262 -17.723 -4.046 1.00 0.47 H new ATOM 1499 N GLY A 667 3.543 -11.027 -4.866 1.00 0.23 N ATOM 1500 CA GLY A 667 3.739 -10.173 -3.709 1.00 0.26 C ATOM 1501 C GLY A 667 4.489 -8.901 -4.048 1.00 0.27 C ATOM 1502 O GLY A 667 5.227 -8.370 -3.218 1.00 0.33 O ATOM 0 H GLY A 667 2.766 -10.758 -5.470 1.00 0.23 H new ATOM 0 HA2 GLY A 667 2.769 -9.917 -3.282 1.00 0.26 H new ATOM 0 HA3 GLY A 667 4.289 -10.722 -2.945 1.00 0.26 H new ATOM 1506 N THR A 668 4.304 -8.410 -5.270 1.00 0.26 N ATOM 1507 CA THR A 668 4.975 -7.190 -5.710 1.00 0.30 C ATOM 1508 C THR A 668 3.978 -6.075 -6.007 1.00 0.24 C ATOM 1509 O THR A 668 2.787 -6.323 -6.194 1.00 0.25 O ATOM 1510 CB THR A 668 5.829 -7.436 -6.966 1.00 0.37 C ATOM 1511 OG1 THR A 668 5.087 -8.201 -7.924 1.00 0.36 O ATOM 1512 CG2 THR A 668 7.115 -8.165 -6.612 1.00 0.55 C ATOM 0 H THR A 668 3.698 -8.836 -5.971 1.00 0.26 H new ATOM 0 HA THR A 668 5.622 -6.884 -4.888 1.00 0.30 H new ATOM 0 HB THR A 668 6.086 -6.469 -7.397 1.00 0.37 H new ATOM 0 HG1 THR A 668 5.295 -9.152 -7.815 1.00 0.36 H new ATOM 0 HG21 THR A 668 7.702 -8.328 -7.516 1.00 0.55 H new ATOM 0 HG22 THR A 668 7.692 -7.565 -5.908 1.00 0.55 H new ATOM 0 HG23 THR A 668 6.875 -9.126 -6.158 1.00 0.55 H new ATOM 1520 N LYS A 669 4.481 -4.846 -6.052 1.00 0.31 N ATOM 1521 CA LYS A 669 3.648 -3.681 -6.331 1.00 0.31 C ATOM 1522 C LYS A 669 4.356 -2.747 -7.311 1.00 0.29 C ATOM 1523 O LYS A 669 5.578 -2.610 -7.272 1.00 0.39 O ATOM 1524 CB LYS A 669 3.325 -2.939 -5.034 1.00 0.47 C ATOM 1525 CG LYS A 669 2.464 -1.704 -5.235 1.00 0.56 C ATOM 1526 CD LYS A 669 2.119 -1.044 -3.909 1.00 0.38 C ATOM 1527 CE LYS A 669 3.166 -0.017 -3.509 1.00 0.46 C ATOM 1528 NZ LYS A 669 4.161 -0.581 -2.557 1.00 0.62 N ATOM 0 H LYS A 669 5.466 -4.630 -5.898 1.00 0.31 H new ATOM 0 HA LYS A 669 2.715 -4.019 -6.782 1.00 0.31 H new ATOM 0 HB2 LYS A 669 2.814 -3.620 -4.354 1.00 0.47 H new ATOM 0 HB3 LYS A 669 4.257 -2.646 -4.551 1.00 0.47 H new ATOM 0 HG2 LYS A 669 2.990 -0.992 -5.871 1.00 0.56 H new ATOM 0 HG3 LYS A 669 1.547 -1.979 -5.755 1.00 0.56 H new ATOM 0 HD2 LYS A 669 1.145 -0.561 -3.984 1.00 0.38 H new ATOM 0 HD3 LYS A 669 2.039 -1.805 -3.133 1.00 0.38 H new ATOM 0 HE2 LYS A 669 3.680 0.343 -4.400 1.00 0.46 H new ATOM 0 HE3 LYS A 669 2.675 0.843 -3.054 1.00 0.46 H new ATOM 0 HZ1 LYS A 669 4.730 0.190 -2.153 1.00 0.62 H new ATOM 0 HZ2 LYS A 669 3.665 -1.082 -1.793 1.00 0.62 H new ATOM 0 HZ3 LYS A 669 4.784 -1.245 -3.059 1.00 0.62 H new ATOM 1542 N PHE A 670 3.590 -2.118 -8.200 1.00 0.25 N ATOM 1543 CA PHE A 670 4.170 -1.218 -9.194 1.00 0.23 C ATOM 1544 C PHE A 670 3.224 -0.071 -9.549 1.00 0.24 C ATOM 1545 O PHE A 670 2.006 -0.246 -9.586 1.00 0.28 O ATOM 1546 CB PHE A 670 4.532 -1.999 -10.458 1.00 0.23 C ATOM 1547 CG PHE A 670 5.704 -1.449 -11.227 1.00 0.29 C ATOM 1548 CD1 PHE A 670 6.459 -0.386 -10.745 1.00 0.87 C ATOM 1549 CD2 PHE A 670 6.046 -2.003 -12.445 1.00 0.98 C ATOM 1550 CE1 PHE A 670 7.527 0.105 -11.470 1.00 0.87 C ATOM 1551 CE2 PHE A 670 7.113 -1.517 -13.172 1.00 1.08 C ATOM 1552 CZ PHE A 670 7.853 -0.461 -12.684 1.00 0.55 C ATOM 0 H PHE A 670 2.576 -2.213 -8.253 1.00 0.25 H new ATOM 0 HA PHE A 670 5.069 -0.784 -8.757 1.00 0.23 H new ATOM 0 HB2 PHE A 670 4.749 -3.031 -10.181 1.00 0.23 H new ATOM 0 HB3 PHE A 670 3.663 -2.022 -11.115 1.00 0.23 H new ATOM 0 HD1 PHE A 670 6.208 0.060 -9.794 1.00 0.87 H new ATOM 0 HD2 PHE A 670 5.469 -2.829 -12.834 1.00 0.98 H new ATOM 0 HE1 PHE A 670 8.106 0.932 -11.086 1.00 0.87 H new ATOM 0 HE2 PHE A 670 7.368 -1.963 -14.122 1.00 1.08 H new ATOM 0 HZ PHE A 670 8.687 -0.078 -13.252 1.00 0.55 H new ATOM 1562 N LEU A 671 3.799 1.102 -9.818 1.00 0.25 N ATOM 1563 CA LEU A 671 3.013 2.277 -10.182 1.00 0.29 C ATOM 1564 C LEU A 671 2.377 2.091 -11.554 1.00 0.25 C ATOM 1565 O LEU A 671 3.022 1.615 -12.487 1.00 0.26 O ATOM 1566 CB LEU A 671 3.905 3.529 -10.209 1.00 0.38 C ATOM 1567 CG LEU A 671 3.361 4.786 -9.498 1.00 0.51 C ATOM 1568 CD1 LEU A 671 1.869 4.683 -9.210 1.00 0.78 C ATOM 1569 CD2 LEU A 671 4.124 5.043 -8.213 1.00 1.32 C ATOM 0 H LEU A 671 4.806 1.262 -9.790 1.00 0.25 H new ATOM 0 HA LEU A 671 2.229 2.403 -9.435 1.00 0.29 H new ATOM 0 HB2 LEU A 671 4.864 3.273 -9.759 1.00 0.38 H new ATOM 0 HB3 LEU A 671 4.100 3.785 -11.250 1.00 0.38 H new ATOM 0 HG LEU A 671 3.507 5.626 -10.177 1.00 0.51 H new ATOM 0 HD11 LEU A 671 1.532 5.590 -8.709 1.00 0.78 H new ATOM 0 HD12 LEU A 671 1.325 4.562 -10.147 1.00 0.78 H new ATOM 0 HD13 LEU A 671 1.681 3.823 -8.568 1.00 0.78 H new ATOM 0 HD21 LEU A 671 3.726 5.933 -7.726 1.00 1.32 H new ATOM 0 HD22 LEU A 671 4.016 4.186 -7.548 1.00 1.32 H new ATOM 0 HD23 LEU A 671 5.179 5.195 -8.440 1.00 1.32 H new ATOM 1581 N LEU A 672 1.111 2.469 -11.671 1.00 0.26 N ATOM 1582 CA LEU A 672 0.396 2.343 -12.933 1.00 0.27 C ATOM 1583 C LEU A 672 0.148 3.708 -13.570 1.00 0.29 C ATOM 1584 O LEU A 672 -0.825 4.392 -13.255 1.00 0.42 O ATOM 1585 CB LEU A 672 -0.928 1.606 -12.720 1.00 0.31 C ATOM 1586 CG LEU A 672 -0.818 0.094 -12.457 1.00 0.27 C ATOM 1587 CD1 LEU A 672 -1.936 -0.647 -13.169 1.00 0.27 C ATOM 1588 CD2 LEU A 672 0.536 -0.453 -12.893 1.00 0.35 C ATOM 0 H LEU A 672 0.560 2.864 -10.909 1.00 0.26 H new ATOM 0 HA LEU A 672 1.018 1.764 -13.616 1.00 0.27 H new ATOM 0 HB2 LEU A 672 -1.446 2.065 -11.878 1.00 0.31 H new ATOM 0 HB3 LEU A 672 -1.552 1.758 -13.600 1.00 0.31 H new ATOM 0 HG LEU A 672 -0.912 -0.064 -11.383 1.00 0.27 H new ATOM 0 HD11 LEU A 672 -1.846 -1.716 -12.974 1.00 0.27 H new ATOM 0 HD12 LEU A 672 -2.899 -0.291 -12.803 1.00 0.27 H new ATOM 0 HD13 LEU A 672 -1.867 -0.467 -14.242 1.00 0.27 H new ATOM 0 HD21 LEU A 672 0.578 -1.524 -12.692 1.00 0.35 H new ATOM 0 HD22 LEU A 672 0.672 -0.278 -13.960 1.00 0.35 H new ATOM 0 HD23 LEU A 672 1.328 0.051 -12.339 1.00 0.35 H new ATOM 1600 N GLN A 673 1.043 4.083 -14.475 1.00 0.36 N ATOM 1601 CA GLN A 673 0.958 5.353 -15.190 1.00 0.37 C ATOM 1602 C GLN A 673 -0.047 5.254 -16.336 1.00 0.35 C ATOM 1603 O GLN A 673 -0.218 4.187 -16.927 1.00 0.41 O ATOM 1604 CB GLN A 673 2.341 5.708 -15.740 1.00 0.41 C ATOM 1605 CG GLN A 673 3.448 5.558 -14.712 1.00 0.49 C ATOM 1606 CD GLN A 673 4.824 5.796 -15.294 1.00 0.51 C ATOM 1607 OE1 GLN A 673 5.842 5.290 -14.612 1.00 0.78 O flip ATOM 1608 NE2 GLN A 673 4.971 6.427 -16.340 1.00 0.59 N flip ATOM 0 H GLN A 673 1.850 3.516 -14.735 1.00 0.36 H new ATOM 0 HA GLN A 673 0.622 6.130 -14.504 1.00 0.37 H new ATOM 0 HB2 GLN A 673 2.560 5.070 -16.596 1.00 0.41 H new ATOM 0 HB3 GLN A 673 2.328 6.735 -16.104 1.00 0.41 H new ATOM 0 HG2 GLN A 673 3.277 6.260 -13.896 1.00 0.49 H new ATOM 0 HG3 GLN A 673 3.407 4.556 -14.285 1.00 0.49 H new ATOM 0 HE21 GLN A 673 4.157 6.798 -16.831 1.00 0.59 H new ATOM 0 HE22 GLN A 673 5.907 6.579 -16.717 1.00 0.59 H new ATOM 1617 N ASP A 674 -0.705 6.366 -16.654 1.00 0.38 N ATOM 1618 CA ASP A 674 -1.685 6.389 -17.739 1.00 0.37 C ATOM 1619 C ASP A 674 -1.100 5.762 -18.997 1.00 0.35 C ATOM 1620 O ASP A 674 -0.161 6.294 -19.591 1.00 0.45 O ATOM 1621 CB ASP A 674 -2.135 7.825 -18.020 1.00 0.42 C ATOM 1622 CG ASP A 674 -3.460 7.886 -18.753 1.00 0.59 C ATOM 1623 OD1 ASP A 674 -4.077 6.820 -18.959 1.00 1.40 O ATOM 1624 OD2 ASP A 674 -3.884 9.003 -19.121 1.00 1.27 O ATOM 0 H ASP A 674 -0.579 7.260 -16.179 1.00 0.38 H new ATOM 0 HA ASP A 674 -2.554 5.806 -17.433 1.00 0.37 H new ATOM 0 HB2 ASP A 674 -2.220 8.367 -17.078 1.00 0.42 H new ATOM 0 HB3 ASP A 674 -1.373 8.332 -18.612 1.00 0.42 H new ATOM 1629 N GLY A 675 -1.641 4.612 -19.382 1.00 0.26 N ATOM 1630 CA GLY A 675 -1.140 3.914 -20.546 1.00 0.26 C ATOM 1631 C GLY A 675 -0.145 2.851 -20.142 1.00 0.24 C ATOM 1632 O GLY A 675 0.848 2.613 -20.831 1.00 0.30 O ATOM 0 H GLY A 675 -2.418 4.152 -18.907 1.00 0.26 H new ATOM 0 HA2 GLY A 675 -1.969 3.457 -21.087 1.00 0.26 H new ATOM 0 HA3 GLY A 675 -0.667 4.623 -21.226 1.00 0.26 H new ATOM 1636 N ASP A 676 -0.417 2.220 -19.004 1.00 0.18 N ATOM 1637 CA ASP A 676 0.452 1.178 -18.472 1.00 0.18 C ATOM 1638 C ASP A 676 0.072 -0.181 -19.035 1.00 0.17 C ATOM 1639 O ASP A 676 -1.012 -0.693 -18.768 1.00 0.17 O ATOM 1640 CB ASP A 676 0.369 1.153 -16.943 1.00 0.19 C ATOM 1641 CG ASP A 676 1.669 1.578 -16.287 1.00 0.29 C ATOM 1642 OD1 ASP A 676 2.229 2.616 -16.696 1.00 1.15 O ATOM 1643 OD2 ASP A 676 2.127 0.870 -15.366 1.00 0.96 O ATOM 0 H ASP A 676 -1.238 2.414 -18.430 1.00 0.18 H new ATOM 0 HA ASP A 676 1.476 1.401 -18.771 1.00 0.18 H new ATOM 0 HB2 ASP A 676 -0.434 1.813 -16.614 1.00 0.19 H new ATOM 0 HB3 ASP A 676 0.110 0.147 -16.612 1.00 0.19 H new ATOM 1648 N GLU A 677 0.972 -0.771 -19.808 1.00 0.18 N ATOM 1649 CA GLU A 677 0.713 -2.075 -20.389 1.00 0.18 C ATOM 1650 C GLU A 677 1.323 -3.165 -19.517 1.00 0.18 C ATOM 1651 O GLU A 677 2.544 -3.306 -19.446 1.00 0.22 O ATOM 1652 CB GLU A 677 1.276 -2.156 -21.809 1.00 0.22 C ATOM 1653 CG GLU A 677 0.287 -1.726 -22.881 1.00 1.00 C ATOM 1654 CD GLU A 677 0.858 -1.843 -24.281 1.00 1.60 C ATOM 1655 OE1 GLU A 677 1.736 -2.705 -24.494 1.00 2.35 O ATOM 1656 OE2 GLU A 677 0.424 -1.074 -25.165 1.00 2.11 O ATOM 0 H GLU A 677 1.880 -0.370 -20.044 1.00 0.18 H new ATOM 0 HA GLU A 677 -0.366 -2.223 -20.440 1.00 0.18 H new ATOM 0 HB2 GLU A 677 2.165 -1.529 -21.875 1.00 0.22 H new ATOM 0 HB3 GLU A 677 1.592 -3.180 -22.008 1.00 0.22 H new ATOM 0 HG2 GLU A 677 -0.612 -2.338 -22.807 1.00 1.00 H new ATOM 0 HG3 GLU A 677 -0.014 -0.694 -22.700 1.00 1.00 H new ATOM 1663 N ILE A 678 0.467 -3.917 -18.835 1.00 0.17 N ATOM 1664 CA ILE A 678 0.924 -4.975 -17.945 1.00 0.21 C ATOM 1665 C ILE A 678 0.679 -6.359 -18.528 1.00 0.21 C ATOM 1666 O ILE A 678 -0.428 -6.684 -18.956 1.00 0.24 O ATOM 1667 CB ILE A 678 0.229 -4.896 -16.571 1.00 0.23 C ATOM 1668 CG1 ILE A 678 0.175 -3.448 -16.077 1.00 1.17 C ATOM 1669 CG2 ILE A 678 0.950 -5.777 -15.562 1.00 1.15 C ATOM 1670 CD1 ILE A 678 -0.827 -3.229 -14.964 1.00 1.12 C ATOM 0 H ILE A 678 -0.547 -3.813 -18.882 1.00 0.17 H new ATOM 0 HA ILE A 678 1.997 -4.822 -17.825 1.00 0.21 H new ATOM 0 HB ILE A 678 -0.793 -5.259 -16.680 1.00 0.23 H new ATOM 0 HG12 ILE A 678 1.165 -3.154 -15.728 1.00 1.17 H new ATOM 0 HG13 ILE A 678 -0.074 -2.796 -16.914 1.00 1.17 H new ATOM 0 HG21 ILE A 678 0.448 -5.711 -14.597 1.00 1.15 H new ATOM 0 HG22 ILE A 678 0.938 -6.811 -15.907 1.00 1.15 H new ATOM 0 HG23 ILE A 678 1.982 -5.442 -15.458 1.00 1.15 H new ATOM 0 HD11 ILE A 678 -0.813 -2.182 -14.662 1.00 1.12 H new ATOM 0 HD12 ILE A 678 -1.825 -3.492 -15.316 1.00 1.12 H new ATOM 0 HD13 ILE A 678 -0.566 -3.856 -14.111 1.00 1.12 H new ATOM 1682 N LYS A 679 1.722 -7.177 -18.511 1.00 0.23 N ATOM 1683 CA LYS A 679 1.641 -8.544 -19.002 1.00 0.25 C ATOM 1684 C LYS A 679 1.342 -9.477 -17.842 1.00 0.23 C ATOM 1685 O LYS A 679 2.137 -9.605 -16.915 1.00 0.27 O ATOM 1686 CB LYS A 679 2.949 -8.949 -19.685 1.00 0.32 C ATOM 1687 CG LYS A 679 2.911 -8.814 -21.199 1.00 0.85 C ATOM 1688 CD LYS A 679 4.167 -8.145 -21.733 1.00 1.07 C ATOM 1689 CE LYS A 679 4.024 -7.785 -23.203 1.00 1.40 C ATOM 1690 NZ LYS A 679 5.331 -7.825 -23.916 1.00 1.72 N ATOM 0 H LYS A 679 2.642 -6.913 -18.159 1.00 0.23 H new ATOM 0 HA LYS A 679 0.840 -8.612 -19.738 1.00 0.25 H new ATOM 0 HB2 LYS A 679 3.759 -8.334 -19.294 1.00 0.32 H new ATOM 0 HB3 LYS A 679 3.180 -9.982 -19.426 1.00 0.32 H new ATOM 0 HG2 LYS A 679 2.804 -9.800 -21.650 1.00 0.85 H new ATOM 0 HG3 LYS A 679 2.036 -8.233 -21.491 1.00 0.85 H new ATOM 0 HD2 LYS A 679 4.375 -7.244 -21.155 1.00 1.07 H new ATOM 0 HD3 LYS A 679 5.019 -8.811 -21.602 1.00 1.07 H new ATOM 0 HE2 LYS A 679 3.329 -8.477 -23.680 1.00 1.40 H new ATOM 0 HE3 LYS A 679 3.593 -6.788 -23.292 1.00 1.40 H new ATOM 0 HZ1 LYS A 679 5.189 -7.573 -24.915 1.00 1.72 H new ATOM 0 HZ2 LYS A 679 5.986 -7.147 -23.478 1.00 1.72 H new ATOM 0 HZ3 LYS A 679 5.731 -8.783 -23.854 1.00 1.72 H new ATOM 1704 N ILE A 680 0.188 -10.113 -17.888 1.00 0.28 N ATOM 1705 CA ILE A 680 -0.217 -11.018 -16.828 1.00 0.36 C ATOM 1706 C ILE A 680 0.468 -12.372 -16.965 1.00 0.31 C ATOM 1707 O ILE A 680 0.836 -12.993 -15.968 1.00 0.32 O ATOM 1708 CB ILE A 680 -1.741 -11.210 -16.827 1.00 0.55 C ATOM 1709 CG1 ILE A 680 -2.448 -9.847 -16.842 1.00 0.76 C ATOM 1710 CG2 ILE A 680 -2.170 -12.032 -15.621 1.00 1.38 C ATOM 1711 CD1 ILE A 680 -3.871 -9.880 -16.317 1.00 0.60 C ATOM 0 H ILE A 680 -0.486 -10.021 -18.648 1.00 0.28 H new ATOM 0 HA ILE A 680 0.087 -10.568 -15.883 1.00 0.36 H new ATOM 0 HB ILE A 680 -2.028 -11.753 -17.727 1.00 0.55 H new ATOM 0 HG12 ILE A 680 -1.868 -9.143 -16.245 1.00 0.76 H new ATOM 0 HG13 ILE A 680 -2.458 -9.466 -17.863 1.00 0.76 H new ATOM 0 HG21 ILE A 680 -3.252 -12.160 -15.634 1.00 1.38 H new ATOM 0 HG22 ILE A 680 -1.689 -13.009 -15.657 1.00 1.38 H new ATOM 0 HG23 ILE A 680 -1.876 -11.517 -14.706 1.00 1.38 H new ATOM 0 HD11 ILE A 680 -4.299 -8.878 -16.362 1.00 0.60 H new ATOM 0 HD12 ILE A 680 -4.468 -10.557 -16.928 1.00 0.60 H new ATOM 0 HD13 ILE A 680 -3.870 -10.228 -15.284 1.00 0.60 H new ATOM 1723 N ILE A 681 0.639 -12.825 -18.203 1.00 0.27 N ATOM 1724 CA ILE A 681 1.286 -14.109 -18.457 1.00 0.26 C ATOM 1725 C ILE A 681 1.905 -14.156 -19.853 1.00 0.25 C ATOM 1726 O ILE A 681 1.255 -13.820 -20.844 1.00 0.27 O ATOM 1727 CB ILE A 681 0.287 -15.282 -18.275 1.00 0.28 C ATOM 1728 CG1 ILE A 681 0.416 -15.872 -16.869 1.00 1.01 C ATOM 1729 CG2 ILE A 681 0.498 -16.367 -19.325 1.00 1.03 C ATOM 1730 CD1 ILE A 681 -0.914 -16.133 -16.197 1.00 0.95 C ATOM 0 H ILE A 681 0.341 -12.326 -19.041 1.00 0.27 H new ATOM 0 HA ILE A 681 2.087 -14.218 -17.726 1.00 0.26 H new ATOM 0 HB ILE A 681 -0.720 -14.886 -18.406 1.00 0.28 H new ATOM 0 HG12 ILE A 681 0.974 -16.806 -16.926 1.00 1.01 H new ATOM 0 HG13 ILE A 681 0.999 -15.190 -16.250 1.00 1.01 H new ATOM 0 HG21 ILE A 681 -0.220 -17.172 -19.166 1.00 1.03 H new ATOM 0 HG22 ILE A 681 0.354 -15.944 -20.319 1.00 1.03 H new ATOM 0 HG23 ILE A 681 1.511 -16.762 -19.242 1.00 1.03 H new ATOM 0 HD11 ILE A 681 -0.744 -16.551 -15.205 1.00 0.95 H new ATOM 0 HD12 ILE A 681 -1.466 -15.198 -16.108 1.00 0.95 H new ATOM 0 HD13 ILE A 681 -1.491 -16.839 -16.794 1.00 0.95 H new ATOM 1742 N TRP A 682 3.160 -14.588 -19.922 1.00 0.26 N ATOM 1743 CA TRP A 682 3.867 -14.694 -21.194 1.00 0.29 C ATOM 1744 C TRP A 682 4.645 -16.008 -21.275 1.00 0.31 C ATOM 1745 O TRP A 682 5.488 -16.292 -20.425 1.00 0.33 O ATOM 1746 CB TRP A 682 4.818 -13.507 -21.382 1.00 0.31 C ATOM 1747 CG TRP A 682 5.758 -13.673 -22.540 1.00 0.35 C ATOM 1748 CD1 TRP A 682 5.563 -14.447 -23.648 1.00 0.36 C ATOM 1749 CD2 TRP A 682 7.041 -13.057 -22.701 1.00 0.39 C ATOM 1750 NE1 TRP A 682 6.646 -14.354 -24.486 1.00 0.40 N ATOM 1751 CE2 TRP A 682 7.566 -13.504 -23.929 1.00 0.42 C ATOM 1752 CE3 TRP A 682 7.796 -12.171 -21.929 1.00 0.44 C ATOM 1753 CZ2 TRP A 682 8.811 -13.094 -24.399 1.00 0.48 C ATOM 1754 CZ3 TRP A 682 9.032 -11.764 -22.397 1.00 0.51 C ATOM 1755 CH2 TRP A 682 9.528 -12.225 -23.623 1.00 0.52 C ATOM 0 H TRP A 682 3.709 -14.871 -19.111 1.00 0.26 H new ATOM 0 HA TRP A 682 3.126 -14.680 -21.994 1.00 0.29 H new ATOM 0 HB2 TRP A 682 4.231 -12.600 -21.528 1.00 0.31 H new ATOM 0 HB3 TRP A 682 5.398 -13.368 -20.470 1.00 0.31 H new ATOM 0 HD1 TRP A 682 4.684 -15.045 -23.837 1.00 0.36 H new ATOM 0 HE1 TRP A 682 6.749 -14.838 -25.378 1.00 0.40 H new ATOM 0 HE3 TRP A 682 7.421 -11.810 -20.983 1.00 0.44 H new ATOM 0 HZ2 TRP A 682 9.197 -13.450 -25.343 1.00 0.48 H new ATOM 0 HZ3 TRP A 682 9.624 -11.080 -21.808 1.00 0.51 H new ATOM 0 HH2 TRP A 682 10.496 -11.888 -23.963 1.00 0.52 H new ATOM 1766 N ASP A 683 4.369 -16.798 -22.310 1.00 0.33 N ATOM 1767 CA ASP A 683 5.061 -18.068 -22.502 1.00 0.36 C ATOM 1768 C ASP A 683 5.793 -18.081 -23.842 1.00 0.40 C ATOM 1769 O ASP A 683 5.173 -17.987 -24.901 1.00 0.44 O ATOM 1770 CB ASP A 683 4.067 -19.230 -22.434 1.00 0.39 C ATOM 1771 CG ASP A 683 4.521 -20.326 -21.491 1.00 0.64 C ATOM 1772 OD1 ASP A 683 5.735 -20.396 -21.204 1.00 1.50 O ATOM 1773 OD2 ASP A 683 3.664 -21.113 -21.038 1.00 1.19 O ATOM 0 H ASP A 683 3.674 -16.582 -23.025 1.00 0.33 H new ATOM 0 HA ASP A 683 5.794 -18.185 -21.704 1.00 0.36 H new ATOM 0 HB2 ASP A 683 3.096 -18.855 -22.110 1.00 0.39 H new ATOM 0 HB3 ASP A 683 3.931 -19.647 -23.432 1.00 0.39 H new ATOM 1778 N LYS A 684 7.117 -18.191 -23.784 1.00 0.44 N ATOM 1779 CA LYS A 684 7.939 -18.208 -24.990 1.00 0.51 C ATOM 1780 C LYS A 684 7.694 -19.464 -25.823 1.00 0.53 C ATOM 1781 O LYS A 684 7.536 -19.391 -27.041 1.00 0.60 O ATOM 1782 CB LYS A 684 9.420 -18.111 -24.619 1.00 0.57 C ATOM 1783 CG LYS A 684 9.926 -16.682 -24.507 1.00 1.00 C ATOM 1784 CD LYS A 684 11.352 -16.636 -23.983 1.00 1.25 C ATOM 1785 CE LYS A 684 12.147 -15.513 -24.628 1.00 1.74 C ATOM 1786 NZ LYS A 684 13.557 -15.912 -24.893 1.00 2.29 N ATOM 0 H LYS A 684 7.644 -18.270 -22.914 1.00 0.44 H new ATOM 0 HA LYS A 684 7.657 -17.345 -25.594 1.00 0.51 H new ATOM 0 HB2 LYS A 684 9.582 -18.621 -23.669 1.00 0.57 H new ATOM 0 HB3 LYS A 684 10.009 -18.639 -25.369 1.00 0.57 H new ATOM 0 HG2 LYS A 684 9.881 -16.201 -25.484 1.00 1.00 H new ATOM 0 HG3 LYS A 684 9.274 -16.115 -23.842 1.00 1.00 H new ATOM 0 HD2 LYS A 684 11.339 -16.499 -22.902 1.00 1.25 H new ATOM 0 HD3 LYS A 684 11.843 -17.589 -24.178 1.00 1.25 H new ATOM 0 HE2 LYS A 684 11.670 -15.222 -25.564 1.00 1.74 H new ATOM 0 HE3 LYS A 684 12.133 -14.638 -23.978 1.00 1.74 H new ATOM 0 HZ1 LYS A 684 14.065 -15.119 -25.333 1.00 2.29 H new ATOM 0 HZ2 LYS A 684 14.020 -16.166 -23.997 1.00 2.29 H new ATOM 0 HZ3 LYS A 684 13.571 -16.731 -25.534 1.00 2.29 H new ATOM 1800 N ASN A 685 7.682 -20.618 -25.161 1.00 0.50 N ATOM 1801 CA ASN A 685 7.474 -21.890 -25.847 1.00 0.55 C ATOM 1802 C ASN A 685 5.991 -22.173 -26.066 1.00 0.57 C ATOM 1803 O ASN A 685 5.594 -22.667 -27.120 1.00 0.65 O ATOM 1804 CB ASN A 685 8.108 -23.030 -25.048 1.00 0.60 C ATOM 1805 CG ASN A 685 9.597 -23.158 -25.304 1.00 1.08 C ATOM 1806 OD1 ASN A 685 10.029 -23.952 -26.139 1.00 1.92 O ATOM 1807 ND2 ASN A 685 10.391 -22.374 -24.584 1.00 1.70 N ATOM 0 H ASN A 685 7.814 -20.699 -24.153 1.00 0.50 H new ATOM 0 HA ASN A 685 7.952 -21.821 -26.824 1.00 0.55 H new ATOM 0 HB2 ASN A 685 7.938 -22.863 -23.984 1.00 0.60 H new ATOM 0 HB3 ASN A 685 7.616 -23.968 -25.306 1.00 0.60 H new ATOM 0 HD21 ASN A 685 11.402 -22.416 -24.713 1.00 1.70 H new ATOM 0 HD22 ASN A 685 9.990 -21.730 -23.902 1.00 1.70 H new ATOM 1814 N ASN A 686 5.178 -21.862 -25.063 1.00 0.58 N ATOM 1815 CA ASN A 686 3.739 -22.091 -25.152 1.00 0.68 C ATOM 1816 C ASN A 686 3.063 -21.046 -26.037 1.00 0.70 C ATOM 1817 O ASN A 686 1.908 -21.212 -26.429 1.00 0.85 O ATOM 1818 CB ASN A 686 3.114 -22.076 -23.755 1.00 0.74 C ATOM 1819 CG ASN A 686 2.098 -23.185 -23.566 1.00 0.92 C ATOM 1820 OD1 ASN A 686 2.202 -24.249 -24.175 1.00 1.60 O ATOM 1821 ND2 ASN A 686 1.106 -22.939 -22.717 1.00 1.44 N ATOM 0 H ASN A 686 5.488 -21.452 -24.182 1.00 0.58 H new ATOM 0 HA ASN A 686 3.584 -23.070 -25.606 1.00 0.68 H new ATOM 0 HB2 ASN A 686 3.900 -22.176 -23.007 1.00 0.74 H new ATOM 0 HB3 ASN A 686 2.633 -21.113 -23.585 1.00 0.74 H new ATOM 0 HD21 ASN A 686 0.391 -23.647 -22.549 1.00 1.44 H new ATOM 0 HD22 ASN A 686 1.059 -22.042 -22.233 1.00 1.44 H new ATOM 1828 N LYS A 687 3.781 -19.967 -26.343 1.00 0.59 N ATOM 1829 CA LYS A 687 3.237 -18.899 -27.175 1.00 0.63 C ATOM 1830 C LYS A 687 2.064 -18.211 -26.489 1.00 0.62 C ATOM 1831 O LYS A 687 1.336 -17.442 -27.117 1.00 0.73 O ATOM 1832 CB LYS A 687 2.803 -19.450 -28.536 1.00 0.80 C ATOM 1833 CG LYS A 687 3.853 -19.284 -29.623 1.00 1.25 C ATOM 1834 CD LYS A 687 3.444 -18.230 -30.641 1.00 1.91 C ATOM 1835 CE LYS A 687 2.896 -18.863 -31.909 1.00 2.65 C ATOM 1836 NZ LYS A 687 3.917 -18.909 -32.993 1.00 3.55 N ATOM 0 H LYS A 687 4.738 -19.811 -26.028 1.00 0.59 H new ATOM 0 HA LYS A 687 4.023 -18.160 -27.327 1.00 0.63 H new ATOM 0 HB2 LYS A 687 2.565 -20.509 -28.431 1.00 0.80 H new ATOM 0 HB3 LYS A 687 1.887 -18.947 -28.847 1.00 0.80 H new ATOM 0 HG2 LYS A 687 4.804 -19.004 -29.171 1.00 1.25 H new ATOM 0 HG3 LYS A 687 4.008 -20.237 -30.128 1.00 1.25 H new ATOM 0 HD2 LYS A 687 2.690 -17.575 -30.205 1.00 1.91 H new ATOM 0 HD3 LYS A 687 4.304 -17.607 -30.887 1.00 1.91 H new ATOM 0 HE2 LYS A 687 2.552 -19.874 -31.691 1.00 2.65 H new ATOM 0 HE3 LYS A 687 2.029 -18.298 -32.251 1.00 2.65 H new ATOM 0 HZ1 LYS A 687 3.504 -19.348 -33.841 1.00 3.55 H new ATOM 0 HZ2 LYS A 687 4.227 -17.942 -33.219 1.00 3.55 H new ATOM 0 HZ3 LYS A 687 4.734 -19.469 -32.677 1.00 3.55 H new ATOM 1850 N PHE A 688 1.894 -18.465 -25.195 1.00 0.57 N ATOM 1851 CA PHE A 688 0.822 -17.835 -24.445 1.00 0.62 C ATOM 1852 C PHE A 688 1.219 -16.403 -24.137 1.00 0.41 C ATOM 1853 O PHE A 688 2.063 -16.154 -23.276 1.00 0.43 O ATOM 1854 CB PHE A 688 0.543 -18.600 -23.150 1.00 0.85 C ATOM 1855 CG PHE A 688 -0.891 -18.532 -22.709 1.00 0.59 C ATOM 1856 CD1 PHE A 688 -1.495 -17.309 -22.465 1.00 0.84 C ATOM 1857 CD2 PHE A 688 -1.633 -19.689 -22.535 1.00 1.41 C ATOM 1858 CE1 PHE A 688 -2.814 -17.241 -22.059 1.00 1.15 C ATOM 1859 CE2 PHE A 688 -2.952 -19.628 -22.128 1.00 2.05 C ATOM 1860 CZ PHE A 688 -3.543 -18.402 -21.889 1.00 1.79 C ATOM 0 H PHE A 688 2.481 -19.097 -24.651 1.00 0.57 H new ATOM 0 HA PHE A 688 -0.091 -17.846 -25.040 1.00 0.62 H new ATOM 0 HB2 PHE A 688 0.823 -19.644 -23.287 1.00 0.85 H new ATOM 0 HB3 PHE A 688 1.177 -18.201 -22.358 1.00 0.85 H new ATOM 0 HD1 PHE A 688 -0.928 -16.399 -22.594 1.00 0.84 H new ATOM 0 HD2 PHE A 688 -1.175 -20.650 -22.720 1.00 1.41 H new ATOM 0 HE1 PHE A 688 -3.274 -16.282 -21.875 1.00 1.15 H new ATOM 0 HE2 PHE A 688 -3.520 -20.537 -21.997 1.00 2.05 H new ATOM 0 HZ PHE A 688 -4.573 -18.352 -21.570 1.00 1.79 H new ATOM 1870 N VAL A 689 0.630 -15.465 -24.863 1.00 0.38 N ATOM 1871 CA VAL A 689 0.954 -14.061 -24.682 1.00 0.32 C ATOM 1872 C VAL A 689 -0.238 -13.272 -24.151 1.00 0.29 C ATOM 1873 O VAL A 689 -1.311 -13.255 -24.753 1.00 0.31 O ATOM 1874 CB VAL A 689 1.460 -13.446 -26.005 1.00 0.50 C ATOM 1875 CG1 VAL A 689 0.306 -13.079 -26.927 1.00 0.65 C ATOM 1876 CG2 VAL A 689 2.343 -12.243 -25.729 1.00 0.65 C ATOM 0 H VAL A 689 -0.072 -15.651 -25.580 1.00 0.38 H new ATOM 0 HA VAL A 689 1.749 -14.001 -23.939 1.00 0.32 H new ATOM 0 HB VAL A 689 2.058 -14.199 -26.518 1.00 0.50 H new ATOM 0 HG11 VAL A 689 0.699 -12.649 -27.848 1.00 0.65 H new ATOM 0 HG12 VAL A 689 -0.271 -13.973 -27.161 1.00 0.65 H new ATOM 0 HG13 VAL A 689 -0.337 -12.351 -26.433 1.00 0.65 H new ATOM 0 HG21 VAL A 689 2.690 -11.823 -26.673 1.00 0.65 H new ATOM 0 HG22 VAL A 689 1.773 -11.490 -25.184 1.00 0.65 H new ATOM 0 HG23 VAL A 689 3.201 -12.551 -25.131 1.00 0.65 H new ATOM 1886 N ILE A 690 -0.032 -12.620 -23.013 1.00 0.30 N ATOM 1887 CA ILE A 690 -1.076 -11.823 -22.386 1.00 0.30 C ATOM 1888 C ILE A 690 -0.563 -10.418 -22.080 1.00 0.36 C ATOM 1889 O ILE A 690 0.640 -10.204 -21.929 1.00 0.64 O ATOM 1890 CB ILE A 690 -1.580 -12.490 -21.087 1.00 0.40 C ATOM 1891 CG1 ILE A 690 -2.380 -13.751 -21.417 1.00 0.94 C ATOM 1892 CG2 ILE A 690 -2.426 -11.523 -20.265 1.00 0.74 C ATOM 1893 CD1 ILE A 690 -3.693 -13.471 -22.115 1.00 1.05 C ATOM 0 H ILE A 690 0.852 -12.629 -22.505 1.00 0.30 H new ATOM 0 HA ILE A 690 -1.909 -11.755 -23.086 1.00 0.30 H new ATOM 0 HB ILE A 690 -0.712 -12.769 -20.489 1.00 0.40 H new ATOM 0 HG12 ILE A 690 -1.774 -14.401 -22.048 1.00 0.94 H new ATOM 0 HG13 ILE A 690 -2.578 -14.297 -20.495 1.00 0.94 H new ATOM 0 HG21 ILE A 690 -2.767 -12.020 -19.357 1.00 0.74 H new ATOM 0 HG22 ILE A 690 -1.828 -10.651 -19.999 1.00 0.74 H new ATOM 0 HG23 ILE A 690 -3.289 -11.206 -20.851 1.00 0.74 H new ATOM 0 HD11 ILE A 690 -4.205 -14.412 -22.317 1.00 1.05 H new ATOM 0 HD12 ILE A 690 -4.319 -12.847 -21.477 1.00 1.05 H new ATOM 0 HD13 ILE A 690 -3.502 -12.952 -23.054 1.00 1.05 H new ATOM 1905 N GLY A 691 -1.482 -9.465 -21.995 1.00 0.25 N ATOM 1906 CA GLY A 691 -1.102 -8.095 -21.713 1.00 0.29 C ATOM 1907 C GLY A 691 -2.282 -7.148 -21.757 1.00 0.22 C ATOM 1908 O GLY A 691 -3.042 -7.135 -22.727 1.00 0.22 O ATOM 0 H GLY A 691 -2.483 -9.616 -22.116 1.00 0.25 H new ATOM 0 HA2 GLY A 691 -0.636 -8.045 -20.729 1.00 0.29 H new ATOM 0 HA3 GLY A 691 -0.353 -7.772 -22.437 1.00 0.29 H new ATOM 1912 N PHE A 692 -2.435 -6.352 -20.704 1.00 0.21 N ATOM 1913 CA PHE A 692 -3.531 -5.396 -20.622 1.00 0.18 C ATOM 1914 C PHE A 692 -2.995 -3.973 -20.666 1.00 0.17 C ATOM 1915 O PHE A 692 -1.947 -3.679 -20.092 1.00 0.19 O ATOM 1916 CB PHE A 692 -4.325 -5.592 -19.323 1.00 0.22 C ATOM 1917 CG PHE A 692 -5.001 -6.932 -19.189 1.00 0.19 C ATOM 1918 CD1 PHE A 692 -4.984 -7.853 -20.224 1.00 0.22 C ATOM 1919 CD2 PHE A 692 -5.653 -7.268 -18.014 1.00 0.29 C ATOM 1920 CE1 PHE A 692 -5.603 -9.080 -20.093 1.00 0.33 C ATOM 1921 CE2 PHE A 692 -6.276 -8.493 -17.876 1.00 0.43 C ATOM 1922 CZ PHE A 692 -6.250 -9.401 -18.918 1.00 0.44 C ATOM 0 H PHE A 692 -1.813 -6.351 -19.896 1.00 0.21 H new ATOM 0 HA PHE A 692 -4.189 -5.566 -21.474 1.00 0.18 H new ATOM 0 HB2 PHE A 692 -3.650 -5.456 -18.478 1.00 0.22 H new ATOM 0 HB3 PHE A 692 -5.082 -4.811 -19.256 1.00 0.22 H new ATOM 0 HD1 PHE A 692 -4.479 -7.607 -21.147 1.00 0.22 H new ATOM 0 HD2 PHE A 692 -5.674 -6.563 -17.196 1.00 0.29 H new ATOM 0 HE1 PHE A 692 -5.581 -9.787 -20.909 1.00 0.33 H new ATOM 0 HE2 PHE A 692 -6.783 -8.741 -16.955 1.00 0.43 H new ATOM 0 HZ PHE A 692 -6.735 -10.360 -18.812 1.00 0.44 H new ATOM 1932 N LYS A 693 -3.721 -3.092 -21.341 1.00 0.16 N ATOM 1933 CA LYS A 693 -3.309 -1.701 -21.445 1.00 0.16 C ATOM 1934 C LYS A 693 -4.104 -0.841 -20.474 1.00 0.14 C ATOM 1935 O LYS A 693 -5.325 -0.726 -20.582 1.00 0.14 O ATOM 1936 CB LYS A 693 -3.499 -1.191 -22.875 1.00 0.20 C ATOM 1937 CG LYS A 693 -3.069 0.255 -23.065 1.00 0.33 C ATOM 1938 CD LYS A 693 -2.428 0.472 -24.427 1.00 1.02 C ATOM 1939 CE LYS A 693 -2.555 1.918 -24.878 1.00 1.28 C ATOM 1940 NZ LYS A 693 -1.574 2.255 -25.947 1.00 1.84 N ATOM 0 H LYS A 693 -4.593 -3.315 -21.822 1.00 0.16 H new ATOM 0 HA LYS A 693 -2.251 -1.635 -21.189 1.00 0.16 H new ATOM 0 HB2 LYS A 693 -2.930 -1.824 -23.557 1.00 0.20 H new ATOM 0 HB3 LYS A 693 -4.549 -1.289 -23.151 1.00 0.20 H new ATOM 0 HG2 LYS A 693 -3.934 0.910 -22.961 1.00 0.33 H new ATOM 0 HG3 LYS A 693 -2.364 0.532 -22.282 1.00 0.33 H new ATOM 0 HD2 LYS A 693 -1.375 0.195 -24.383 1.00 1.02 H new ATOM 0 HD3 LYS A 693 -2.900 -0.182 -25.161 1.00 1.02 H new ATOM 0 HE2 LYS A 693 -3.566 2.097 -25.244 1.00 1.28 H new ATOM 0 HE3 LYS A 693 -2.403 2.579 -24.025 1.00 1.28 H new ATOM 0 HZ1 LYS A 693 -1.693 3.250 -26.227 1.00 1.84 H new ATOM 0 HZ2 LYS A 693 -0.608 2.109 -25.590 1.00 1.84 H new ATOM 0 HZ3 LYS A 693 -1.735 1.642 -26.772 1.00 1.84 H new ATOM 1954 N VAL A 694 -3.399 -0.241 -19.526 1.00 0.14 N ATOM 1955 CA VAL A 694 -4.028 0.610 -18.530 1.00 0.13 C ATOM 1956 C VAL A 694 -4.276 2.000 -19.094 1.00 0.14 C ATOM 1957 O VAL A 694 -3.352 2.654 -19.575 1.00 0.19 O ATOM 1958 CB VAL A 694 -3.153 0.725 -17.262 1.00 0.15 C ATOM 1959 CG1 VAL A 694 -3.430 2.021 -16.516 1.00 0.19 C ATOM 1960 CG2 VAL A 694 -3.381 -0.471 -16.356 1.00 0.19 C ATOM 0 H VAL A 694 -2.388 -0.329 -19.427 1.00 0.14 H new ATOM 0 HA VAL A 694 -4.980 0.151 -18.262 1.00 0.13 H new ATOM 0 HB VAL A 694 -2.108 0.737 -17.572 1.00 0.15 H new ATOM 0 HG11 VAL A 694 -2.799 2.072 -15.629 1.00 0.19 H new ATOM 0 HG12 VAL A 694 -3.212 2.869 -17.166 1.00 0.19 H new ATOM 0 HG13 VAL A 694 -4.478 2.052 -16.218 1.00 0.19 H new ATOM 0 HG21 VAL A 694 -2.758 -0.377 -15.466 1.00 0.19 H new ATOM 0 HG22 VAL A 694 -4.430 -0.510 -16.062 1.00 0.19 H new ATOM 0 HG23 VAL A 694 -3.119 -1.386 -16.888 1.00 0.19 H new ATOM 1970 N GLU A 695 -5.518 2.455 -19.025 1.00 0.13 N ATOM 1971 CA GLU A 695 -5.851 3.777 -19.526 1.00 0.16 C ATOM 1972 C GLU A 695 -6.701 4.553 -18.530 1.00 0.17 C ATOM 1973 O GLU A 695 -7.880 4.259 -18.337 1.00 0.18 O ATOM 1974 CB GLU A 695 -6.588 3.666 -20.862 1.00 0.20 C ATOM 1975 CG GLU A 695 -6.247 4.779 -21.839 1.00 0.76 C ATOM 1976 CD GLU A 695 -5.395 4.300 -22.997 1.00 1.56 C ATOM 1977 OE1 GLU A 695 -5.970 3.871 -24.020 1.00 2.11 O ATOM 1978 OE2 GLU A 695 -4.153 4.354 -22.883 1.00 2.36 O ATOM 0 H GLU A 695 -6.302 1.935 -18.632 1.00 0.13 H new ATOM 0 HA GLU A 695 -4.918 4.321 -19.671 1.00 0.16 H new ATOM 0 HB2 GLU A 695 -6.350 2.706 -21.320 1.00 0.20 H new ATOM 0 HB3 GLU A 695 -7.662 3.673 -20.677 1.00 0.20 H new ATOM 0 HG2 GLU A 695 -7.169 5.212 -22.227 1.00 0.76 H new ATOM 0 HG3 GLU A 695 -5.720 5.573 -21.310 1.00 0.76 H new ATOM 1985 N ILE A 696 -6.093 5.562 -17.917 1.00 0.19 N ATOM 1986 CA ILE A 696 -6.791 6.411 -16.955 1.00 0.21 C ATOM 1987 C ILE A 696 -7.765 7.333 -17.673 1.00 0.23 C ATOM 1988 O ILE A 696 -7.360 8.308 -18.306 1.00 0.25 O ATOM 1989 CB ILE A 696 -5.804 7.274 -16.142 1.00 0.25 C ATOM 1990 CG1 ILE A 696 -4.768 6.395 -15.447 1.00 0.27 C ATOM 1991 CG2 ILE A 696 -6.550 8.122 -15.122 1.00 0.31 C ATOM 1992 CD1 ILE A 696 -3.535 7.151 -15.009 1.00 0.42 C ATOM 0 H ILE A 696 -5.116 5.814 -18.069 1.00 0.19 H new ATOM 0 HA ILE A 696 -7.330 5.752 -16.274 1.00 0.21 H new ATOM 0 HB ILE A 696 -5.285 7.940 -16.831 1.00 0.25 H new ATOM 0 HG12 ILE A 696 -5.226 5.926 -14.576 1.00 0.27 H new ATOM 0 HG13 ILE A 696 -4.472 5.592 -16.122 1.00 0.27 H new ATOM 0 HG21 ILE A 696 -5.837 8.724 -14.558 1.00 0.31 H new ATOM 0 HG22 ILE A 696 -7.251 8.778 -15.638 1.00 0.31 H new ATOM 0 HG23 ILE A 696 -7.097 7.472 -14.439 1.00 0.31 H new ATOM 0 HD11 ILE A 696 -2.841 6.465 -14.523 1.00 0.42 H new ATOM 0 HD12 ILE A 696 -3.054 7.597 -15.879 1.00 0.42 H new ATOM 0 HD13 ILE A 696 -3.819 7.936 -14.309 1.00 0.42 H new ATOM 2004 N ASN A 697 -9.050 7.028 -17.564 1.00 0.24 N ATOM 2005 CA ASN A 697 -10.075 7.843 -18.197 1.00 0.29 C ATOM 2006 C ASN A 697 -10.517 8.945 -17.248 1.00 0.28 C ATOM 2007 O ASN A 697 -10.597 10.114 -17.625 1.00 0.30 O ATOM 2008 CB ASN A 697 -11.273 6.978 -18.597 1.00 0.35 C ATOM 2009 CG ASN A 697 -11.248 6.601 -20.065 1.00 0.51 C ATOM 2010 OD1 ASN A 697 -12.232 6.787 -20.781 1.00 1.07 O ATOM 2011 ND2 ASN A 697 -10.120 6.068 -20.520 1.00 0.46 N ATOM 0 H ASN A 697 -9.406 6.225 -17.045 1.00 0.24 H new ATOM 0 HA ASN A 697 -9.659 8.295 -19.098 1.00 0.29 H new ATOM 0 HB2 ASN A 697 -11.282 6.071 -17.992 1.00 0.35 H new ATOM 0 HB3 ASN A 697 -12.195 7.516 -18.378 1.00 0.35 H new ATOM 0 HD21 ASN A 697 -10.044 5.794 -21.500 1.00 0.46 H new ATOM 0 HD22 ASN A 697 -9.329 5.932 -19.890 1.00 0.46 H new ATOM 2018 N ASP A 698 -10.789 8.560 -16.010 1.00 0.26 N ATOM 2019 CA ASP A 698 -11.209 9.508 -14.987 1.00 0.28 C ATOM 2020 C ASP A 698 -10.130 9.663 -13.923 1.00 0.27 C ATOM 2021 O ASP A 698 -9.487 8.686 -13.543 1.00 0.27 O ATOM 2022 CB ASP A 698 -12.519 9.049 -14.343 1.00 0.33 C ATOM 2023 CG ASP A 698 -13.408 10.213 -13.951 1.00 0.95 C ATOM 2024 OD1 ASP A 698 -14.057 10.792 -14.847 1.00 1.59 O ATOM 2025 OD2 ASP A 698 -13.454 10.546 -12.748 1.00 1.75 O ATOM 0 H ASP A 698 -10.726 7.594 -15.688 1.00 0.26 H new ATOM 0 HA ASP A 698 -11.369 10.476 -15.462 1.00 0.28 H new ATOM 0 HB2 ASP A 698 -13.056 8.403 -15.038 1.00 0.33 H new ATOM 0 HB3 ASP A 698 -12.297 8.451 -13.459 1.00 0.33 H new ATOM 2030 N THR A 699 -9.949 10.882 -13.429 1.00 0.30 N ATOM 2031 CA THR A 699 -8.971 11.139 -12.393 1.00 0.34 C ATOM 2032 C THR A 699 -9.677 11.550 -11.110 1.00 0.38 C ATOM 2033 O THR A 699 -10.098 12.695 -10.946 1.00 0.42 O ATOM 2034 CB THR A 699 -7.956 12.230 -12.811 1.00 0.39 C ATOM 2035 OG1 THR A 699 -8.402 13.524 -12.389 1.00 0.69 O ATOM 2036 CG2 THR A 699 -7.743 12.235 -14.315 1.00 0.50 C ATOM 0 H THR A 699 -10.470 11.705 -13.733 1.00 0.30 H new ATOM 0 HA THR A 699 -8.412 10.218 -12.229 1.00 0.34 H new ATOM 0 HB THR A 699 -7.009 11.999 -12.324 1.00 0.39 H new ATOM 0 HG1 THR A 699 -9.364 13.495 -12.207 1.00 0.69 H new ATOM 0 HG21 THR A 699 -7.025 13.012 -14.578 1.00 0.50 H new ATOM 0 HG22 THR A 699 -7.360 11.265 -14.631 1.00 0.50 H new ATOM 0 HG23 THR A 699 -8.691 12.432 -14.816 1.00 0.50 H new ATOM 2044 N THR A 700 -9.801 10.598 -10.208 1.00 0.41 N ATOM 2045 CA THR A 700 -10.454 10.830 -8.926 1.00 0.50 C ATOM 2046 C THR A 700 -9.482 11.456 -7.935 1.00 0.59 C ATOM 2047 O THR A 700 -9.108 10.838 -6.937 1.00 0.68 O ATOM 2048 CB THR A 700 -11.013 9.522 -8.334 1.00 0.58 C ATOM 2049 OG1 THR A 700 -11.774 8.821 -9.324 1.00 1.49 O ATOM 2050 CG2 THR A 700 -11.889 9.807 -7.123 1.00 1.43 C ATOM 0 H THR A 700 -9.456 9.647 -10.337 1.00 0.41 H new ATOM 0 HA THR A 700 -11.283 11.514 -9.104 1.00 0.50 H new ATOM 0 HB THR A 700 -10.172 8.904 -8.018 1.00 0.58 H new ATOM 0 HG1 THR A 700 -11.228 8.105 -9.710 1.00 1.49 H new ATOM 0 HG21 THR A 700 -12.272 8.869 -6.722 1.00 1.43 H new ATOM 0 HG22 THR A 700 -11.300 10.314 -6.359 1.00 1.43 H new ATOM 0 HG23 THR A 700 -12.723 10.443 -7.419 1.00 1.43 H new ATOM 2058 N GLY A 701 -9.069 12.684 -8.221 1.00 0.63 N ATOM 2059 CA GLY A 701 -8.134 13.370 -7.352 1.00 0.77 C ATOM 2060 C GLY A 701 -6.721 12.850 -7.516 1.00 0.72 C ATOM 2061 O GLY A 701 -6.029 12.593 -6.532 1.00 0.84 O ATOM 0 H GLY A 701 -9.365 13.217 -9.039 1.00 0.63 H new ATOM 0 HA2 GLY A 701 -8.155 14.438 -7.568 1.00 0.77 H new ATOM 0 HA3 GLY A 701 -8.447 13.249 -6.315 1.00 0.77 H new ATOM 2065 N LEU A 702 -6.297 12.685 -8.766 1.00 0.66 N ATOM 2066 CA LEU A 702 -4.960 12.187 -9.061 1.00 0.77 C ATOM 2067 C LEU A 702 -3.968 13.337 -9.208 1.00 0.72 C ATOM 2068 O LEU A 702 -4.202 14.273 -9.973 1.00 1.16 O ATOM 2069 CB LEU A 702 -4.988 11.354 -10.348 1.00 1.06 C ATOM 2070 CG LEU A 702 -4.615 9.880 -10.185 1.00 0.64 C ATOM 2071 CD1 LEU A 702 -3.135 9.737 -9.873 1.00 1.15 C ATOM 2072 CD2 LEU A 702 -5.460 9.227 -9.100 1.00 1.44 C ATOM 0 H LEU A 702 -6.862 12.890 -9.590 1.00 0.66 H new ATOM 0 HA LEU A 702 -4.636 11.561 -8.230 1.00 0.77 H new ATOM 0 HB2 LEU A 702 -5.989 11.413 -10.777 1.00 1.06 H new ATOM 0 HB3 LEU A 702 -4.306 11.806 -11.068 1.00 1.06 H new ATOM 0 HG LEU A 702 -4.818 9.369 -11.126 1.00 0.64 H new ATOM 0 HD11 LEU A 702 -2.887 8.682 -9.760 1.00 1.15 H new ATOM 0 HD12 LEU A 702 -2.549 10.162 -10.688 1.00 1.15 H new ATOM 0 HD13 LEU A 702 -2.906 10.264 -8.947 1.00 1.15 H new ATOM 0 HD21 LEU A 702 -5.178 8.179 -9.001 1.00 1.44 H new ATOM 0 HD22 LEU A 702 -5.294 9.739 -8.152 1.00 1.44 H new ATOM 0 HD23 LEU A 702 -6.514 9.295 -9.369 1.00 1.44 H new ATOM 2084 N PHE A 703 -2.853 13.257 -8.478 1.00 0.62 N ATOM 2085 CA PHE A 703 -1.816 14.289 -8.540 1.00 0.71 C ATOM 2086 C PHE A 703 -1.546 14.680 -9.991 1.00 0.91 C ATOM 2087 O PHE A 703 -1.230 15.829 -10.300 1.00 1.83 O ATOM 2088 CB PHE A 703 -0.525 13.776 -7.886 1.00 0.70 C ATOM 2089 CG PHE A 703 0.265 12.850 -8.769 1.00 0.60 C ATOM 2090 CD1 PHE A 703 -0.204 11.579 -9.055 1.00 0.68 C ATOM 2091 CD2 PHE A 703 1.468 13.257 -9.325 1.00 0.83 C ATOM 2092 CE1 PHE A 703 0.511 10.729 -9.876 1.00 0.85 C ATOM 2093 CE2 PHE A 703 2.186 12.413 -10.150 1.00 0.93 C ATOM 2094 CZ PHE A 703 1.706 11.146 -10.426 1.00 0.89 C ATOM 0 H PHE A 703 -2.646 12.490 -7.838 1.00 0.62 H new ATOM 0 HA PHE A 703 -2.164 15.169 -7.998 1.00 0.71 H new ATOM 0 HB2 PHE A 703 0.099 14.627 -7.615 1.00 0.70 H new ATOM 0 HB3 PHE A 703 -0.776 13.257 -6.961 1.00 0.70 H new ATOM 0 HD1 PHE A 703 -1.141 11.248 -8.631 1.00 0.68 H new ATOM 0 HD2 PHE A 703 1.848 14.245 -9.111 1.00 0.83 H new ATOM 0 HE1 PHE A 703 0.135 9.739 -10.087 1.00 0.85 H new ATOM 0 HE2 PHE A 703 3.121 12.742 -10.579 1.00 0.93 H new ATOM 0 HZ PHE A 703 2.265 10.484 -11.071 1.00 0.89 H new ATOM 2104 N ASN A 704 -1.683 13.696 -10.867 1.00 0.62 N ATOM 2105 CA ASN A 704 -1.474 13.876 -12.295 1.00 0.64 C ATOM 2106 C ASN A 704 -2.415 12.951 -13.058 1.00 0.67 C ATOM 2107 O ASN A 704 -3.075 13.360 -14.011 1.00 1.26 O ATOM 2108 CB ASN A 704 -0.006 13.574 -12.649 1.00 0.69 C ATOM 2109 CG ASN A 704 0.168 12.915 -14.010 1.00 1.13 C ATOM 2110 OD1 ASN A 704 0.452 11.613 -14.015 1.00 1.90 O flip ATOM 2111 ND2 ASN A 704 0.048 13.569 -15.046 1.00 0.89 N flip ATOM 0 H ASN A 704 -1.944 12.745 -10.605 1.00 0.62 H new ATOM 0 HA ASN A 704 -1.688 14.908 -12.575 1.00 0.64 H new ATOM 0 HB2 ASN A 704 0.563 14.504 -12.629 1.00 0.69 H new ATOM 0 HB3 ASN A 704 0.418 12.925 -11.883 1.00 0.69 H new ATOM 0 HD21 ASN A 704 -0.170 14.564 -14.998 1.00 0.89 H new ATOM 0 HD22 ASN A 704 0.167 13.116 -15.952 1.00 0.89 H new ATOM 2118 N GLU A 705 -2.444 11.696 -12.606 1.00 0.46 N ATOM 2119 CA GLU A 705 -3.263 10.628 -13.181 1.00 0.57 C ATOM 2120 C GLU A 705 -2.464 9.337 -13.123 1.00 0.76 C ATOM 2121 O GLU A 705 -2.934 8.310 -12.635 1.00 1.29 O ATOM 2122 CB GLU A 705 -3.677 10.918 -14.631 1.00 0.80 C ATOM 2123 CG GLU A 705 -2.503 11.141 -15.571 1.00 0.84 C ATOM 2124 CD GLU A 705 -2.937 11.622 -16.942 1.00 1.12 C ATOM 2125 OE1 GLU A 705 -3.788 10.951 -17.564 1.00 1.48 O ATOM 2126 OE2 GLU A 705 -2.427 12.668 -17.394 1.00 1.81 O ATOM 0 H GLU A 705 -1.885 11.387 -11.811 1.00 0.46 H new ATOM 0 HA GLU A 705 -4.183 10.550 -12.602 1.00 0.57 H new ATOM 0 HB2 GLU A 705 -4.274 10.085 -15.002 1.00 0.80 H new ATOM 0 HB3 GLU A 705 -4.316 11.801 -14.647 1.00 0.80 H new ATOM 0 HG2 GLU A 705 -1.824 11.872 -15.132 1.00 0.84 H new ATOM 0 HG3 GLU A 705 -1.945 10.211 -15.676 1.00 0.84 H new ATOM 2133 N GLY A 706 -1.233 9.425 -13.609 1.00 0.74 N ATOM 2134 CA GLY A 706 -0.329 8.298 -13.610 1.00 0.96 C ATOM 2135 C GLY A 706 0.864 8.525 -14.523 1.00 1.21 C ATOM 2136 O GLY A 706 0.905 8.003 -15.633 1.00 1.59 O ATOM 0 H GLY A 706 -0.841 10.277 -14.010 1.00 0.74 H new ATOM 0 HA2 GLY A 706 0.022 8.114 -12.595 1.00 0.96 H new ATOM 0 HA3 GLY A 706 -0.865 7.404 -13.929 1.00 0.96 H new ATOM 2140 N LEU A 707 1.839 9.310 -14.064 1.00 1.14 N ATOM 2141 CA LEU A 707 3.034 9.584 -14.860 1.00 1.40 C ATOM 2142 C LEU A 707 4.252 8.834 -14.318 1.00 1.57 C ATOM 2143 O LEU A 707 5.298 8.790 -14.966 1.00 1.79 O ATOM 2144 CB LEU A 707 3.326 11.088 -14.905 1.00 1.43 C ATOM 2145 CG LEU A 707 3.236 11.721 -16.296 1.00 1.63 C ATOM 2146 CD1 LEU A 707 4.321 11.166 -17.205 1.00 1.82 C ATOM 2147 CD2 LEU A 707 1.860 11.485 -16.903 1.00 1.88 C ATOM 0 H LEU A 707 1.825 9.764 -13.151 1.00 1.14 H new ATOM 0 HA LEU A 707 2.837 9.231 -15.872 1.00 1.40 H new ATOM 0 HB2 LEU A 707 2.627 11.599 -14.243 1.00 1.43 H new ATOM 0 HB3 LEU A 707 4.326 11.261 -14.507 1.00 1.43 H new ATOM 0 HG LEU A 707 3.387 12.796 -16.195 1.00 1.63 H new ATOM 0 HD11 LEU A 707 4.242 11.627 -18.190 1.00 1.82 H new ATOM 0 HD12 LEU A 707 5.300 11.386 -16.779 1.00 1.82 H new ATOM 0 HD13 LEU A 707 4.200 10.087 -17.299 1.00 1.82 H new ATOM 0 HD21 LEU A 707 1.815 11.942 -17.891 1.00 1.88 H new ATOM 0 HD22 LEU A 707 1.680 10.414 -16.990 1.00 1.88 H new ATOM 0 HD23 LEU A 707 1.099 11.930 -16.263 1.00 1.88 H new ATOM 2159 N GLY A 708 4.111 8.251 -13.125 1.00 1.56 N ATOM 2160 CA GLY A 708 5.205 7.515 -12.506 1.00 1.84 C ATOM 2161 C GLY A 708 6.557 8.177 -12.703 1.00 1.96 C ATOM 2162 O GLY A 708 7.271 7.872 -13.659 1.00 2.72 O ATOM 0 H GLY A 708 3.253 8.276 -12.574 1.00 1.56 H new ATOM 0 HA2 GLY A 708 5.009 7.415 -11.439 1.00 1.84 H new ATOM 0 HA3 GLY A 708 5.237 6.507 -12.920 1.00 1.84 H new ATOM 2166 N MET A 709 6.908 9.086 -11.799 1.00 1.78 N ATOM 2167 CA MET A 709 8.181 9.789 -11.881 1.00 2.09 C ATOM 2168 C MET A 709 8.761 10.031 -10.491 1.00 2.72 C ATOM 2169 O MET A 709 8.063 10.491 -9.586 1.00 3.08 O ATOM 2170 CB MET A 709 8.011 11.119 -12.624 1.00 2.18 C ATOM 2171 CG MET A 709 7.250 12.175 -11.835 1.00 2.62 C ATOM 2172 SD MET A 709 5.507 11.764 -11.622 1.00 3.09 S ATOM 2173 CE MET A 709 5.442 11.476 -9.855 1.00 2.92 C ATOM 0 H MET A 709 6.329 9.352 -11.003 1.00 1.78 H new ATOM 0 HA MET A 709 8.878 9.162 -12.437 1.00 2.09 H new ATOM 0 HB2 MET A 709 8.996 11.510 -12.879 1.00 2.18 H new ATOM 0 HB3 MET A 709 7.489 10.935 -13.563 1.00 2.18 H new ATOM 0 HG2 MET A 709 7.713 12.295 -10.856 1.00 2.62 H new ATOM 0 HG3 MET A 709 7.333 13.134 -12.346 1.00 2.62 H new ATOM 0 HE1 MET A 709 4.689 12.125 -9.408 1.00 2.92 H new ATOM 0 HE2 MET A 709 5.182 10.435 -9.665 1.00 2.92 H new ATOM 0 HE3 MET A 709 6.415 11.693 -9.415 1.00 2.92 H new ATOM 2183 N LEU A 710 10.040 9.716 -10.328 1.00 3.40 N ATOM 2184 CA LEU A 710 10.717 9.896 -9.049 1.00 4.21 C ATOM 2185 C LEU A 710 12.194 9.530 -9.161 1.00 4.19 C ATOM 2186 O LEU A 710 12.693 9.254 -10.253 1.00 3.80 O ATOM 2187 CB LEU A 710 10.045 9.044 -7.970 1.00 4.86 C ATOM 2188 CG LEU A 710 10.051 7.538 -8.239 1.00 5.22 C ATOM 2189 CD1 LEU A 710 10.059 6.763 -6.930 1.00 5.92 C ATOM 2190 CD2 LEU A 710 8.851 7.146 -9.087 1.00 5.71 C ATOM 0 H LEU A 710 10.631 9.334 -11.067 1.00 3.40 H new ATOM 0 HA LEU A 710 10.643 10.947 -8.769 1.00 4.21 H new ATOM 0 HB2 LEU A 710 10.543 9.230 -7.019 1.00 4.86 H new ATOM 0 HB3 LEU A 710 9.012 9.374 -7.859 1.00 4.86 H new ATOM 0 HG LEU A 710 10.958 7.288 -8.790 1.00 5.22 H new ATOM 0 HD11 LEU A 710 10.063 5.694 -7.140 1.00 5.92 H new ATOM 0 HD12 LEU A 710 10.950 7.024 -6.358 1.00 5.92 H new ATOM 0 HD13 LEU A 710 9.170 7.016 -6.352 1.00 5.92 H new ATOM 0 HD21 LEU A 710 8.870 6.072 -9.270 1.00 5.71 H new ATOM 0 HD22 LEU A 710 7.933 7.409 -8.562 1.00 5.71 H new ATOM 0 HD23 LEU A 710 8.889 7.676 -10.039 1.00 5.71 H new ATOM 2202 N GLN A 711 12.889 9.525 -8.027 1.00 4.88 N ATOM 2203 CA GLN A 711 14.310 9.190 -8.002 1.00 5.14 C ATOM 2204 C GLN A 711 14.567 7.855 -8.696 1.00 4.51 C ATOM 2205 O GLN A 711 15.583 7.679 -9.370 1.00 4.47 O ATOM 2206 CB GLN A 711 14.818 9.133 -6.560 1.00 6.09 C ATOM 2207 CG GLN A 711 15.370 10.458 -6.057 1.00 6.72 C ATOM 2208 CD GLN A 711 15.703 10.427 -4.579 1.00 7.49 C ATOM 2209 OE1 GLN A 711 15.755 9.362 -3.965 1.00 7.82 O ATOM 2210 NE2 GLN A 711 15.930 11.599 -4.000 1.00 8.02 N ATOM 0 H GLN A 711 12.492 9.749 -7.114 1.00 4.88 H new ATOM 0 HA GLN A 711 14.850 9.969 -8.540 1.00 5.14 H new ATOM 0 HB2 GLN A 711 14.003 8.818 -5.909 1.00 6.09 H new ATOM 0 HB3 GLN A 711 15.596 8.373 -6.487 1.00 6.09 H new ATOM 0 HG2 GLN A 711 16.267 10.712 -6.622 1.00 6.72 H new ATOM 0 HG3 GLN A 711 14.641 11.246 -6.245 1.00 6.72 H new ATOM 0 HE21 GLN A 711 15.876 12.458 -4.548 1.00 8.02 H new ATOM 0 HE22 GLN A 711 16.158 11.641 -3.007 1.00 8.02 H new ATOM 2219 N GLU A 712 13.636 6.921 -8.532 1.00 4.19 N ATOM 2220 CA GLU A 712 13.755 5.606 -9.149 1.00 3.67 C ATOM 2221 C GLU A 712 12.924 5.534 -10.425 1.00 2.67 C ATOM 2222 O GLU A 712 11.725 5.810 -10.410 1.00 2.50 O ATOM 2223 CB GLU A 712 13.307 4.516 -8.171 1.00 4.06 C ATOM 2224 CG GLU A 712 13.990 4.596 -6.815 1.00 4.73 C ATOM 2225 CD GLU A 712 13.053 4.262 -5.671 1.00 4.92 C ATOM 2226 OE1 GLU A 712 12.140 5.068 -5.396 1.00 4.81 O ATOM 2227 OE2 GLU A 712 13.232 3.193 -5.050 1.00 5.53 O ATOM 0 H GLU A 712 12.790 7.051 -7.977 1.00 4.19 H new ATOM 0 HA GLU A 712 14.802 5.443 -9.405 1.00 3.67 H new ATOM 0 HB2 GLU A 712 12.229 4.587 -8.030 1.00 4.06 H new ATOM 0 HB3 GLU A 712 13.507 3.539 -8.612 1.00 4.06 H new ATOM 0 HG2 GLU A 712 14.837 3.911 -6.798 1.00 4.73 H new ATOM 0 HG3 GLU A 712 14.389 5.600 -6.672 1.00 4.73 H new ATOM 2234 N GLN A 713 13.568 5.166 -11.527 1.00 2.33 N ATOM 2235 CA GLN A 713 12.883 5.065 -12.809 1.00 1.72 C ATOM 2236 C GLN A 713 12.166 3.726 -12.942 1.00 1.30 C ATOM 2237 O GLN A 713 12.784 2.705 -13.245 1.00 1.83 O ATOM 2238 CB GLN A 713 13.877 5.240 -13.957 1.00 2.24 C ATOM 2239 CG GLN A 713 14.183 6.695 -14.278 1.00 2.81 C ATOM 2240 CD GLN A 713 15.529 6.871 -14.956 1.00 3.50 C ATOM 2241 OE1 GLN A 713 16.405 7.572 -14.451 1.00 4.00 O ATOM 2242 NE2 GLN A 713 15.698 6.234 -16.109 1.00 4.09 N ATOM 0 H GLN A 713 14.561 4.933 -11.558 1.00 2.33 H new ATOM 0 HA GLN A 713 12.139 5.860 -12.857 1.00 1.72 H new ATOM 0 HB2 GLN A 713 14.806 4.729 -13.704 1.00 2.24 H new ATOM 0 HB3 GLN A 713 13.479 4.755 -14.849 1.00 2.24 H new ATOM 0 HG2 GLN A 713 13.400 7.093 -14.923 1.00 2.81 H new ATOM 0 HG3 GLN A 713 14.165 7.278 -13.357 1.00 2.81 H new ATOM 0 HE21 GLN A 713 14.944 5.663 -16.491 1.00 4.09 H new ATOM 0 HE22 GLN A 713 16.582 6.316 -16.612 1.00 4.09 H new ATOM 2251 N ARG A 714 10.854 3.740 -12.718 1.00 0.87 N ATOM 2252 CA ARG A 714 10.042 2.533 -12.814 1.00 0.76 C ATOM 2253 C ARG A 714 10.688 1.366 -12.071 1.00 0.65 C ATOM 2254 O ARG A 714 11.463 0.601 -12.646 1.00 0.69 O ATOM 2255 CB ARG A 714 9.820 2.167 -14.282 1.00 1.31 C ATOM 2256 CG ARG A 714 8.589 2.823 -14.887 1.00 1.02 C ATOM 2257 CD ARG A 714 7.312 2.341 -14.216 1.00 0.74 C ATOM 2258 NE ARG A 714 6.635 1.318 -15.008 1.00 0.62 N ATOM 2259 CZ ARG A 714 5.942 1.573 -16.115 1.00 0.97 C ATOM 2260 NH1 ARG A 714 5.845 2.813 -16.575 1.00 1.42 N ATOM 2261 NH2 ARG A 714 5.348 0.582 -16.767 1.00 1.10 N ATOM 0 H ARG A 714 10.330 4.579 -12.468 1.00 0.87 H new ATOM 0 HA ARG A 714 9.080 2.736 -12.344 1.00 0.76 H new ATOM 0 HB2 ARG A 714 10.698 2.458 -14.858 1.00 1.31 H new ATOM 0 HB3 ARG A 714 9.726 1.085 -14.369 1.00 1.31 H new ATOM 0 HG2 ARG A 714 8.667 3.906 -14.788 1.00 1.02 H new ATOM 0 HG3 ARG A 714 8.546 2.603 -15.954 1.00 1.02 H new ATOM 0 HD2 ARG A 714 7.549 1.940 -13.230 1.00 0.74 H new ATOM 0 HD3 ARG A 714 6.640 3.186 -14.064 1.00 0.74 H new ATOM 0 HE ARG A 714 6.697 0.350 -14.694 1.00 0.62 H new ATOM 0 HH11 ARG A 714 6.303 3.578 -16.080 1.00 1.42 H new ATOM 0 HH12 ARG A 714 5.312 3.002 -17.424 1.00 1.42 H new ATOM 0 HH21 ARG A 714 5.423 -0.374 -16.420 1.00 1.10 H new ATOM 0 HH22 ARG A 714 4.816 0.776 -17.616 1.00 1.10 H new ATOM 2275 N VAL A 715 10.357 1.236 -10.790 1.00 0.59 N ATOM 2276 CA VAL A 715 10.894 0.165 -9.963 1.00 0.55 C ATOM 2277 C VAL A 715 9.768 -0.638 -9.321 1.00 0.53 C ATOM 2278 O VAL A 715 8.737 -0.083 -8.942 1.00 0.54 O ATOM 2279 CB VAL A 715 11.814 0.712 -8.857 1.00 0.61 C ATOM 2280 CG1 VAL A 715 13.182 1.061 -9.422 1.00 0.67 C ATOM 2281 CG2 VAL A 715 11.183 1.921 -8.183 1.00 0.68 C ATOM 0 H VAL A 715 9.717 1.863 -10.302 1.00 0.59 H new ATOM 0 HA VAL A 715 11.478 -0.482 -10.618 1.00 0.55 H new ATOM 0 HB VAL A 715 11.945 -0.066 -8.105 1.00 0.61 H new ATOM 0 HG11 VAL A 715 13.818 1.446 -8.625 1.00 0.67 H new ATOM 0 HG12 VAL A 715 13.638 0.168 -9.850 1.00 0.67 H new ATOM 0 HG13 VAL A 715 13.073 1.820 -10.197 1.00 0.67 H new ATOM 0 HG21 VAL A 715 11.849 2.292 -7.404 1.00 0.68 H new ATOM 0 HG22 VAL A 715 11.017 2.704 -8.923 1.00 0.68 H new ATOM 0 HG23 VAL A 715 10.230 1.634 -7.739 1.00 0.68 H new ATOM 2291 N VAL A 716 9.969 -1.946 -9.203 1.00 0.52 N ATOM 2292 CA VAL A 716 8.964 -2.821 -8.610 1.00 0.52 C ATOM 2293 C VAL A 716 9.109 -2.876 -7.090 1.00 0.47 C ATOM 2294 O VAL A 716 10.200 -3.102 -6.568 1.00 0.48 O ATOM 2295 CB VAL A 716 9.054 -4.251 -9.180 1.00 0.56 C ATOM 2296 CG1 VAL A 716 7.987 -5.145 -8.567 1.00 1.06 C ATOM 2297 CG2 VAL A 716 8.930 -4.228 -10.694 1.00 1.15 C ATOM 0 H VAL A 716 10.817 -2.423 -9.509 1.00 0.52 H new ATOM 0 HA VAL A 716 7.990 -2.401 -8.863 1.00 0.52 H new ATOM 0 HB VAL A 716 10.030 -4.662 -8.920 1.00 0.56 H new ATOM 0 HG11 VAL A 716 8.070 -6.149 -8.984 1.00 1.06 H new ATOM 0 HG12 VAL A 716 8.125 -5.188 -7.487 1.00 1.06 H new ATOM 0 HG13 VAL A 716 7.000 -4.740 -8.790 1.00 1.06 H new ATOM 0 HG21 VAL A 716 8.996 -5.245 -11.080 1.00 1.15 H new ATOM 0 HG22 VAL A 716 7.970 -3.795 -10.974 1.00 1.15 H new ATOM 0 HG23 VAL A 716 9.736 -3.627 -11.116 1.00 1.15 H new ATOM 2307 N LEU A 717 7.998 -2.669 -6.389 1.00 0.46 N ATOM 2308 CA LEU A 717 7.996 -2.698 -4.931 1.00 0.44 C ATOM 2309 C LEU A 717 7.464 -4.032 -4.416 1.00 0.41 C ATOM 2310 O LEU A 717 6.936 -4.838 -5.182 1.00 0.43 O ATOM 2311 CB LEU A 717 7.148 -1.551 -4.377 1.00 0.48 C ATOM 2312 CG LEU A 717 7.509 -0.162 -4.909 1.00 0.50 C ATOM 2313 CD1 LEU A 717 6.693 0.161 -6.151 1.00 0.83 C ATOM 2314 CD2 LEU A 717 7.289 0.893 -3.835 1.00 0.67 C ATOM 0 H LEU A 717 7.088 -2.479 -6.808 1.00 0.46 H new ATOM 0 HA LEU A 717 9.024 -2.578 -4.589 1.00 0.44 H new ATOM 0 HB2 LEU A 717 6.101 -1.750 -4.606 1.00 0.48 H new ATOM 0 HB3 LEU A 717 7.241 -1.543 -3.291 1.00 0.48 H new ATOM 0 HG LEU A 717 8.564 -0.160 -5.182 1.00 0.50 H new ATOM 0 HD11 LEU A 717 6.962 1.152 -6.516 1.00 0.83 H new ATOM 0 HD12 LEU A 717 6.899 -0.579 -6.924 1.00 0.83 H new ATOM 0 HD13 LEU A 717 5.631 0.141 -5.904 1.00 0.83 H new ATOM 0 HD21 LEU A 717 7.551 1.875 -4.230 1.00 0.67 H new ATOM 0 HD22 LEU A 717 6.242 0.891 -3.532 1.00 0.67 H new ATOM 0 HD23 LEU A 717 7.917 0.670 -2.972 1.00 0.67 H new ATOM 2326 N LYS A 718 7.610 -4.262 -3.114 1.00 0.40 N ATOM 2327 CA LYS A 718 7.144 -5.500 -2.500 1.00 0.39 C ATOM 2328 C LYS A 718 5.840 -5.279 -1.739 1.00 0.40 C ATOM 2329 O LYS A 718 5.517 -4.157 -1.352 1.00 0.49 O ATOM 2330 CB LYS A 718 8.215 -6.059 -1.558 1.00 0.41 C ATOM 2331 CG LYS A 718 8.695 -7.448 -1.941 1.00 0.72 C ATOM 2332 CD LYS A 718 9.234 -8.203 -0.736 1.00 1.34 C ATOM 2333 CE LYS A 718 10.234 -9.271 -1.150 1.00 1.95 C ATOM 2334 NZ LYS A 718 11.352 -9.393 -0.175 1.00 2.56 N ATOM 0 H LYS A 718 8.047 -3.608 -2.465 1.00 0.40 H new ATOM 0 HA LYS A 718 6.956 -6.222 -3.295 1.00 0.39 H new ATOM 0 HB2 LYS A 718 9.067 -5.379 -1.546 1.00 0.41 H new ATOM 0 HB3 LYS A 718 7.816 -6.088 -0.544 1.00 0.41 H new ATOM 0 HG2 LYS A 718 7.873 -8.009 -2.385 1.00 0.72 H new ATOM 0 HG3 LYS A 718 9.473 -7.369 -2.700 1.00 0.72 H new ATOM 0 HD2 LYS A 718 9.711 -7.503 -0.050 1.00 1.34 H new ATOM 0 HD3 LYS A 718 8.408 -8.666 -0.196 1.00 1.34 H new ATOM 0 HE2 LYS A 718 9.724 -10.230 -1.240 1.00 1.95 H new ATOM 0 HE3 LYS A 718 10.635 -9.030 -2.134 1.00 1.95 H new ATOM 0 HZ1 LYS A 718 12.011 -10.131 -0.494 1.00 2.56 H new ATOM 0 HZ2 LYS A 718 11.855 -8.485 -0.108 1.00 2.56 H new ATOM 0 HZ3 LYS A 718 10.972 -9.648 0.759 1.00 2.56 H new ATOM 2348 N GLN A 719 5.094 -6.361 -1.529 1.00 0.40 N ATOM 2349 CA GLN A 719 3.824 -6.290 -0.814 1.00 0.44 C ATOM 2350 C GLN A 719 4.009 -6.651 0.657 1.00 0.37 C ATOM 2351 O GLN A 719 4.957 -7.346 1.021 1.00 0.38 O ATOM 2352 CB GLN A 719 2.802 -7.229 -1.456 1.00 0.57 C ATOM 2353 CG GLN A 719 2.377 -6.804 -2.852 1.00 0.68 C ATOM 2354 CD GLN A 719 1.305 -7.704 -3.434 1.00 0.68 C ATOM 2355 OE1 GLN A 719 0.418 -8.172 -2.720 1.00 1.15 O ATOM 2356 NE2 GLN A 719 1.380 -7.950 -4.736 1.00 0.49 N ATOM 0 H GLN A 719 5.348 -7.297 -1.844 1.00 0.40 H new ATOM 0 HA GLN A 719 3.456 -5.266 -0.876 1.00 0.44 H new ATOM 0 HB2 GLN A 719 3.224 -8.233 -1.504 1.00 0.57 H new ATOM 0 HB3 GLN A 719 1.920 -7.283 -0.818 1.00 0.57 H new ATOM 0 HG2 GLN A 719 2.007 -5.779 -2.819 1.00 0.68 H new ATOM 0 HG3 GLN A 719 3.246 -6.808 -3.510 1.00 0.68 H new ATOM 0 HE21 GLN A 719 2.133 -7.541 -5.290 1.00 0.49 H new ATOM 0 HE22 GLN A 719 0.685 -8.548 -5.183 1.00 0.49 H new ATOM 2365 N THR A 720 3.096 -6.175 1.499 1.00 0.39 N ATOM 2366 CA THR A 720 3.160 -6.449 2.929 1.00 0.41 C ATOM 2367 C THR A 720 1.853 -7.048 3.437 1.00 0.41 C ATOM 2368 O THR A 720 0.950 -7.346 2.655 1.00 0.37 O ATOM 2369 CB THR A 720 3.473 -5.173 3.732 1.00 0.50 C ATOM 2370 OG1 THR A 720 2.323 -4.317 3.761 1.00 0.67 O ATOM 2371 CG2 THR A 720 4.651 -4.427 3.125 1.00 0.75 C ATOM 0 H THR A 720 2.304 -5.598 1.215 1.00 0.39 H new ATOM 0 HA THR A 720 3.965 -7.169 3.075 1.00 0.41 H new ATOM 0 HB THR A 720 3.734 -5.465 4.749 1.00 0.50 H new ATOM 0 HG1 THR A 720 2.530 -3.509 4.275 1.00 0.67 H new ATOM 0 HG21 THR A 720 4.853 -3.529 3.709 1.00 0.75 H new ATOM 0 HG22 THR A 720 5.531 -5.070 3.131 1.00 0.75 H new ATOM 0 HG23 THR A 720 4.414 -4.146 2.099 1.00 0.75 H new ATOM 2379 N ALA A 721 1.759 -7.220 4.752 1.00 0.48 N ATOM 2380 CA ALA A 721 0.563 -7.783 5.368 1.00 0.51 C ATOM 2381 C ALA A 721 -0.678 -6.981 4.994 1.00 0.47 C ATOM 2382 O ALA A 721 -1.768 -7.535 4.857 1.00 0.46 O ATOM 2383 CB ALA A 721 0.724 -7.835 6.880 1.00 0.60 C ATOM 0 H ALA A 721 2.498 -6.977 5.412 1.00 0.48 H new ATOM 0 HA ALA A 721 0.434 -8.798 4.991 1.00 0.51 H new ATOM 0 HB1 ALA A 721 -0.176 -8.257 7.327 1.00 0.60 H new ATOM 0 HB2 ALA A 721 1.582 -8.458 7.133 1.00 0.60 H new ATOM 0 HB3 ALA A 721 0.881 -6.827 7.264 1.00 0.60 H new ATOM 2389 N GLU A 722 -0.504 -5.674 4.827 1.00 0.47 N ATOM 2390 CA GLU A 722 -1.611 -4.797 4.465 1.00 0.47 C ATOM 2391 C GLU A 722 -2.231 -5.226 3.140 1.00 0.40 C ATOM 2392 O GLU A 722 -3.449 -5.365 3.028 1.00 0.37 O ATOM 2393 CB GLU A 722 -1.131 -3.347 4.371 1.00 0.53 C ATOM 2394 CG GLU A 722 -2.186 -2.330 4.777 1.00 1.09 C ATOM 2395 CD GLU A 722 -1.971 -1.795 6.179 1.00 1.83 C ATOM 2396 OE1 GLU A 722 -1.319 -2.491 6.987 1.00 2.51 O ATOM 2397 OE2 GLU A 722 -2.453 -0.680 6.469 1.00 2.47 O ATOM 0 H GLU A 722 0.392 -5.199 4.937 1.00 0.47 H new ATOM 0 HA GLU A 722 -2.371 -4.871 5.243 1.00 0.47 H new ATOM 0 HB2 GLU A 722 -0.254 -3.221 5.006 1.00 0.53 H new ATOM 0 HB3 GLU A 722 -0.816 -3.143 3.348 1.00 0.53 H new ATOM 0 HG2 GLU A 722 -2.177 -1.500 4.070 1.00 1.09 H new ATOM 0 HG3 GLU A 722 -3.172 -2.790 4.715 1.00 1.09 H new ATOM 2404 N GLU A 723 -1.384 -5.439 2.137 1.00 0.40 N ATOM 2405 CA GLU A 723 -1.849 -5.855 0.821 1.00 0.37 C ATOM 2406 C GLU A 723 -2.442 -7.259 0.874 1.00 0.33 C ATOM 2407 O GLU A 723 -3.529 -7.505 0.351 1.00 0.30 O ATOM 2408 CB GLU A 723 -0.698 -5.814 -0.184 1.00 0.41 C ATOM 2409 CG GLU A 723 -0.431 -4.427 -0.747 1.00 0.84 C ATOM 2410 CD GLU A 723 -0.019 -4.456 -2.205 1.00 1.79 C ATOM 2411 OE1 GLU A 723 -0.215 -5.503 -2.858 1.00 2.40 O ATOM 2412 OE2 GLU A 723 0.502 -3.432 -2.695 1.00 2.56 O ATOM 0 H GLU A 723 -0.373 -5.330 2.212 1.00 0.40 H new ATOM 0 HA GLU A 723 -2.627 -5.162 0.501 1.00 0.37 H new ATOM 0 HB2 GLU A 723 0.208 -6.182 0.298 1.00 0.41 H new ATOM 0 HB3 GLU A 723 -0.920 -6.494 -1.006 1.00 0.41 H new ATOM 0 HG2 GLU A 723 -1.328 -3.817 -0.639 1.00 0.84 H new ATOM 0 HG3 GLU A 723 0.353 -3.947 -0.162 1.00 0.84 H new ATOM 2419 N LYS A 724 -1.722 -8.176 1.515 1.00 0.34 N ATOM 2420 CA LYS A 724 -2.179 -9.556 1.641 1.00 0.34 C ATOM 2421 C LYS A 724 -3.562 -9.616 2.282 1.00 0.31 C ATOM 2422 O LYS A 724 -4.366 -10.493 1.969 1.00 0.32 O ATOM 2423 CB LYS A 724 -1.185 -10.371 2.469 1.00 0.39 C ATOM 2424 CG LYS A 724 -1.340 -11.873 2.302 1.00 1.14 C ATOM 2425 CD LYS A 724 -0.008 -12.590 2.451 1.00 1.34 C ATOM 2426 CE LYS A 724 0.443 -12.633 3.902 1.00 1.75 C ATOM 2427 NZ LYS A 724 1.161 -13.897 4.224 1.00 2.58 N ATOM 0 H LYS A 724 -0.821 -7.988 1.955 1.00 0.34 H new ATOM 0 HA LYS A 724 -2.244 -9.983 0.640 1.00 0.34 H new ATOM 0 HB2 LYS A 724 -0.171 -10.086 2.188 1.00 0.39 H new ATOM 0 HB3 LYS A 724 -1.308 -10.117 3.522 1.00 0.39 H new ATOM 0 HG2 LYS A 724 -2.043 -12.252 3.043 1.00 1.14 H new ATOM 0 HG3 LYS A 724 -1.763 -12.089 1.321 1.00 1.14 H new ATOM 0 HD2 LYS A 724 -0.096 -13.606 2.066 1.00 1.34 H new ATOM 0 HD3 LYS A 724 0.747 -12.085 1.849 1.00 1.34 H new ATOM 0 HE2 LYS A 724 1.095 -11.783 4.105 1.00 1.75 H new ATOM 0 HE3 LYS A 724 -0.424 -12.532 4.555 1.00 1.75 H new ATOM 0 HZ1 LYS A 724 1.452 -13.886 5.223 1.00 2.58 H new ATOM 0 HZ2 LYS A 724 0.531 -14.707 4.055 1.00 2.58 H new ATOM 0 HZ3 LYS A 724 2.003 -13.982 3.619 1.00 2.58 H new ATOM 2441 N ASP A 725 -3.830 -8.674 3.182 1.00 0.31 N ATOM 2442 CA ASP A 725 -5.115 -8.618 3.869 1.00 0.31 C ATOM 2443 C ASP A 725 -6.237 -8.250 2.902 1.00 0.29 C ATOM 2444 O ASP A 725 -7.349 -8.769 3.000 1.00 0.32 O ATOM 2445 CB ASP A 725 -5.060 -7.605 5.014 1.00 0.36 C ATOM 2446 CG ASP A 725 -6.047 -7.926 6.119 1.00 0.94 C ATOM 2447 OD1 ASP A 725 -6.183 -9.118 6.465 1.00 1.55 O ATOM 2448 OD2 ASP A 725 -6.684 -6.985 6.639 1.00 1.63 O ATOM 0 H ASP A 725 -3.175 -7.940 3.452 1.00 0.31 H new ATOM 0 HA ASP A 725 -5.323 -9.607 4.276 1.00 0.31 H new ATOM 0 HB2 ASP A 725 -4.052 -7.582 5.427 1.00 0.36 H new ATOM 0 HB3 ASP A 725 -5.267 -6.609 4.624 1.00 0.36 H new ATOM 2453 N LEU A 726 -5.939 -7.349 1.970 1.00 0.28 N ATOM 2454 CA LEU A 726 -6.925 -6.913 0.986 1.00 0.31 C ATOM 2455 C LEU A 726 -7.468 -8.099 0.195 1.00 0.31 C ATOM 2456 O LEU A 726 -8.673 -8.209 -0.030 1.00 0.35 O ATOM 2457 CB LEU A 726 -6.306 -5.889 0.031 1.00 0.36 C ATOM 2458 CG LEU A 726 -5.667 -4.674 0.707 1.00 0.36 C ATOM 2459 CD1 LEU A 726 -4.685 -3.995 -0.236 1.00 0.40 C ATOM 2460 CD2 LEU A 726 -6.737 -3.694 1.162 1.00 0.53 C ATOM 0 H LEU A 726 -5.024 -6.907 1.876 1.00 0.28 H new ATOM 0 HA LEU A 726 -7.753 -6.447 1.521 1.00 0.31 H new ATOM 0 HB2 LEU A 726 -5.549 -6.390 -0.572 1.00 0.36 H new ATOM 0 HB3 LEU A 726 -7.079 -5.540 -0.653 1.00 0.36 H new ATOM 0 HG LEU A 726 -5.119 -5.016 1.585 1.00 0.36 H new ATOM 0 HD11 LEU A 726 -4.240 -3.133 0.261 1.00 0.40 H new ATOM 0 HD12 LEU A 726 -3.900 -4.699 -0.513 1.00 0.40 H new ATOM 0 HD13 LEU A 726 -5.210 -3.666 -1.133 1.00 0.40 H new ATOM 0 HD21 LEU A 726 -6.265 -2.836 1.641 1.00 0.53 H new ATOM 0 HD22 LEU A 726 -7.312 -3.357 0.300 1.00 0.53 H new ATOM 0 HD23 LEU A 726 -7.402 -4.185 1.872 1.00 0.53 H new ATOM 2472 N VAL A 727 -6.570 -8.986 -0.224 1.00 0.28 N ATOM 2473 CA VAL A 727 -6.959 -10.165 -0.989 1.00 0.29 C ATOM 2474 C VAL A 727 -7.519 -11.255 -0.077 1.00 0.29 C ATOM 2475 O VAL A 727 -8.274 -12.119 -0.520 1.00 0.32 O ATOM 2476 CB VAL A 727 -5.769 -10.734 -1.786 1.00 0.32 C ATOM 2477 CG1 VAL A 727 -4.654 -11.174 -0.849 1.00 0.64 C ATOM 2478 CG2 VAL A 727 -6.219 -11.888 -2.670 1.00 0.65 C ATOM 0 H VAL A 727 -5.568 -8.910 -0.046 1.00 0.28 H new ATOM 0 HA VAL A 727 -7.735 -9.849 -1.686 1.00 0.29 H new ATOM 0 HB VAL A 727 -5.379 -9.945 -2.429 1.00 0.32 H new ATOM 0 HG11 VAL A 727 -3.824 -11.572 -1.433 1.00 0.64 H new ATOM 0 HG12 VAL A 727 -4.310 -10.320 -0.266 1.00 0.64 H new ATOM 0 HG13 VAL A 727 -5.028 -11.946 -0.176 1.00 0.64 H new ATOM 0 HG21 VAL A 727 -5.365 -12.276 -3.225 1.00 0.65 H new ATOM 0 HG22 VAL A 727 -6.639 -12.680 -2.049 1.00 0.65 H new ATOM 0 HG23 VAL A 727 -6.977 -11.536 -3.370 1.00 0.65 H new ATOM 2488 N LYS A 728 -7.144 -11.208 1.200 1.00 0.31 N ATOM 2489 CA LYS A 728 -7.611 -12.193 2.171 1.00 0.36 C ATOM 2490 C LYS A 728 -9.135 -12.272 2.179 1.00 0.39 C ATOM 2491 O LYS A 728 -9.710 -13.359 2.239 1.00 0.50 O ATOM 2492 CB LYS A 728 -7.100 -11.843 3.570 1.00 0.41 C ATOM 2493 CG LYS A 728 -6.783 -13.060 4.423 1.00 0.68 C ATOM 2494 CD LYS A 728 -6.896 -12.744 5.906 1.00 1.14 C ATOM 2495 CE LYS A 728 -6.770 -14.000 6.753 1.00 1.97 C ATOM 2496 NZ LYS A 728 -6.343 -13.690 8.146 1.00 2.79 N ATOM 0 H LYS A 728 -6.519 -10.499 1.585 1.00 0.31 H new ATOM 0 HA LYS A 728 -7.217 -13.167 1.880 1.00 0.36 H new ATOM 0 HB2 LYS A 728 -6.203 -11.231 3.478 1.00 0.41 H new ATOM 0 HB3 LYS A 728 -7.849 -11.237 4.080 1.00 0.41 H new ATOM 0 HG2 LYS A 728 -7.465 -13.871 4.170 1.00 0.68 H new ATOM 0 HG3 LYS A 728 -5.775 -13.410 4.200 1.00 0.68 H new ATOM 0 HD2 LYS A 728 -6.119 -12.034 6.188 1.00 1.14 H new ATOM 0 HD3 LYS A 728 -7.854 -12.264 6.105 1.00 1.14 H new ATOM 0 HE2 LYS A 728 -7.727 -14.521 6.774 1.00 1.97 H new ATOM 0 HE3 LYS A 728 -6.049 -14.676 6.294 1.00 1.97 H new ATOM 0 HZ1 LYS A 728 -6.269 -14.573 8.691 1.00 2.79 H new ATOM 0 HZ2 LYS A 728 -5.418 -13.215 8.128 1.00 2.79 H new ATOM 0 HZ3 LYS A 728 -7.044 -13.065 8.593 1.00 2.79 H new ATOM 2510 N LYS A 729 -9.782 -11.113 2.116 1.00 0.37 N ATOM 2511 CA LYS A 729 -11.239 -11.051 2.113 1.00 0.47 C ATOM 2512 C LYS A 729 -11.804 -11.579 0.797 1.00 0.57 C ATOM 2513 O LYS A 729 -12.930 -12.072 0.747 1.00 1.01 O ATOM 2514 CB LYS A 729 -11.709 -9.613 2.342 1.00 0.58 C ATOM 2515 CG LYS A 729 -11.321 -9.056 3.701 1.00 0.70 C ATOM 2516 CD LYS A 729 -12.257 -7.939 4.134 1.00 1.07 C ATOM 2517 CE LYS A 729 -11.685 -7.153 5.303 1.00 1.71 C ATOM 2518 NZ LYS A 729 -12.744 -6.729 6.259 1.00 2.33 N ATOM 0 H LYS A 729 -9.321 -10.205 2.066 1.00 0.37 H new ATOM 0 HA LYS A 729 -11.606 -11.680 2.924 1.00 0.47 H new ATOM 0 HB2 LYS A 729 -11.291 -8.975 1.564 1.00 0.58 H new ATOM 0 HB3 LYS A 729 -12.793 -9.573 2.238 1.00 0.58 H new ATOM 0 HG2 LYS A 729 -11.340 -9.855 4.442 1.00 0.70 H new ATOM 0 HG3 LYS A 729 -10.298 -8.681 3.663 1.00 0.70 H new ATOM 0 HD2 LYS A 729 -12.435 -7.267 3.295 1.00 1.07 H new ATOM 0 HD3 LYS A 729 -13.222 -8.360 4.415 1.00 1.07 H new ATOM 0 HE2 LYS A 729 -10.948 -7.764 5.825 1.00 1.71 H new ATOM 0 HE3 LYS A 729 -11.162 -6.274 4.928 1.00 1.71 H new ATOM 0 HZ1 LYS A 729 -12.313 -6.196 7.041 1.00 2.33 H new ATOM 0 HZ2 LYS A 729 -13.434 -6.125 5.768 1.00 2.33 H new ATOM 0 HZ3 LYS A 729 -13.227 -7.569 6.637 1.00 2.33 H new ATOM 2532 N LEU A 730 -11.013 -11.471 -0.268 1.00 0.44 N ATOM 2533 CA LEU A 730 -11.433 -11.937 -1.585 1.00 0.52 C ATOM 2534 C LEU A 730 -11.806 -13.416 -1.547 1.00 0.82 C ATOM 2535 O LEU A 730 -11.057 -14.199 -0.928 1.00 1.49 O ATOM 2536 CB LEU A 730 -10.317 -11.708 -2.607 1.00 0.43 C ATOM 2537 CG LEU A 730 -10.711 -11.956 -4.063 1.00 0.33 C ATOM 2538 CD1 LEU A 730 -9.748 -11.249 -5.005 1.00 0.35 C ATOM 2539 CD2 LEU A 730 -10.748 -13.448 -4.355 1.00 0.42 C ATOM 2540 OXT LEU A 730 -12.846 -13.778 -2.136 1.00 1.37 O ATOM 0 H LEU A 730 -10.078 -11.065 -0.244 1.00 0.44 H new ATOM 0 HA LEU A 730 -12.314 -11.367 -1.881 1.00 0.52 H new ATOM 0 HB2 LEU A 730 -9.964 -10.681 -2.512 1.00 0.43 H new ATOM 0 HB3 LEU A 730 -9.478 -12.358 -2.358 1.00 0.43 H new ATOM 0 HG LEU A 730 -11.709 -11.548 -4.226 1.00 0.33 H new ATOM 0 HD11 LEU A 730 -10.044 -11.437 -6.037 1.00 0.35 H new ATOM 0 HD12 LEU A 730 -9.770 -10.177 -4.811 1.00 0.35 H new ATOM 0 HD13 LEU A 730 -8.738 -11.626 -4.843 1.00 0.35 H new ATOM 0 HD21 LEU A 730 -11.030 -13.608 -5.396 1.00 0.42 H new ATOM 0 HD22 LEU A 730 -9.763 -13.878 -4.176 1.00 0.42 H new ATOM 0 HD23 LEU A 730 -11.478 -13.928 -3.703 1.00 0.42 H new TER 2552 LEU A 730 ATOM 2553 N GLU P 826 -2.988 -29.890 -5.415 1.00 4.51 N ATOM 2554 CA GLU P 826 -2.541 -28.480 -5.259 1.00 4.26 C ATOM 2555 C GLU P 826 -2.417 -27.788 -6.612 1.00 3.62 C ATOM 2556 O GLU P 826 -2.489 -28.431 -7.659 1.00 3.85 O ATOM 2557 CB GLU P 826 -1.192 -28.475 -4.535 1.00 4.89 C ATOM 2558 CG GLU P 826 -1.062 -27.369 -3.501 1.00 5.60 C ATOM 2559 CD GLU P 826 -1.977 -27.575 -2.310 1.00 5.89 C ATOM 2560 OE1 GLU P 826 -2.956 -28.341 -2.438 1.00 6.16 O ATOM 2561 OE2 GLU P 826 -1.716 -26.970 -1.249 1.00 6.21 O ATOM 0 HA GLU P 826 -3.282 -27.931 -4.678 1.00 4.26 H new ATOM 0 HB2 GLU P 826 -1.048 -29.438 -4.045 1.00 4.89 H new ATOM 0 HB3 GLU P 826 -0.394 -28.369 -5.270 1.00 4.89 H new ATOM 0 HG2 GLU P 826 -0.029 -27.318 -3.157 1.00 5.60 H new ATOM 0 HG3 GLU P 826 -1.290 -26.411 -3.968 1.00 5.60 H new ATOM 2570 N ASP P 827 -2.230 -26.472 -6.582 1.00 3.29 N ATOM 2571 CA ASP P 827 -2.096 -25.692 -7.806 1.00 2.91 C ATOM 2572 C ASP P 827 -0.678 -25.147 -7.952 1.00 2.16 C ATOM 2573 O ASP P 827 -0.306 -24.176 -7.294 1.00 2.51 O ATOM 2574 CB ASP P 827 -3.100 -24.538 -7.813 1.00 3.78 C ATOM 2575 CG ASP P 827 -2.917 -23.604 -6.634 1.00 4.09 C ATOM 2576 OD1 ASP P 827 -3.523 -23.862 -5.572 1.00 4.53 O ATOM 2577 OD2 ASP P 827 -2.168 -22.614 -6.770 1.00 4.36 O ATOM 0 H ASP P 827 -2.168 -25.924 -5.724 1.00 3.29 H new ATOM 0 HA ASP P 827 -2.302 -26.350 -8.650 1.00 2.91 H new ATOM 0 HB2 ASP P 827 -2.994 -23.974 -8.740 1.00 3.78 H new ATOM 0 HB3 ASP P 827 -4.113 -24.941 -7.799 1.00 3.78 H new ATOM 2582 N ILE P 828 0.107 -25.779 -8.818 1.00 1.70 N ATOM 2583 CA ILE P 828 1.483 -25.358 -9.050 1.00 1.35 C ATOM 2584 C ILE P 828 1.617 -24.635 -10.385 1.00 1.07 C ATOM 2585 O ILE P 828 1.557 -25.255 -11.447 1.00 1.32 O ATOM 2586 CB ILE P 828 2.448 -26.559 -9.030 1.00 1.91 C ATOM 2587 CG1 ILE P 828 2.189 -27.430 -7.799 1.00 2.49 C ATOM 2588 CG2 ILE P 828 3.891 -26.078 -9.050 1.00 2.33 C ATOM 2589 CD1 ILE P 828 2.868 -28.780 -7.860 1.00 3.42 C ATOM 0 H ILE P 828 -0.187 -26.585 -9.371 1.00 1.70 H new ATOM 0 HA ILE P 828 1.747 -24.676 -8.242 1.00 1.35 H new ATOM 0 HB ILE P 828 2.273 -27.162 -9.921 1.00 1.91 H new ATOM 0 HG12 ILE P 828 2.532 -26.900 -6.910 1.00 2.49 H new ATOM 0 HG13 ILE P 828 1.115 -27.577 -7.688 1.00 2.49 H new ATOM 0 HG21 ILE P 828 4.561 -26.937 -9.036 1.00 2.33 H new ATOM 0 HG22 ILE P 828 4.068 -25.495 -9.954 1.00 2.33 H new ATOM 0 HG23 ILE P 828 4.079 -25.456 -8.175 1.00 2.33 H new ATOM 0 HD11 ILE P 828 2.640 -29.343 -6.955 1.00 3.42 H new ATOM 0 HD12 ILE P 828 2.507 -29.330 -8.729 1.00 3.42 H new ATOM 0 HD13 ILE P 828 3.946 -28.642 -7.940 1.00 3.42 H new HETATM 2601 N PTR P 829 1.798 -23.320 -10.325 1.00 0.76 N HETATM 2602 CA PTR P 829 1.940 -22.512 -11.531 1.00 0.55 C HETATM 2603 C PTR P 829 3.380 -22.040 -11.705 1.00 0.52 C HETATM 2604 O PTR P 829 4.107 -21.858 -10.729 1.00 0.58 O HETATM 2605 CB PTR P 829 1.000 -21.307 -11.475 1.00 0.54 C HETATM 2606 CG PTR P 829 -0.445 -21.651 -11.760 1.00 0.48 C HETATM 2607 CD1 PTR P 829 -1.439 -21.383 -10.827 1.00 1.35 C HETATM 2608 CD2 PTR P 829 -0.813 -22.246 -12.960 1.00 1.23 C HETATM 2609 CE1 PTR P 829 -2.760 -21.699 -11.083 1.00 1.44 C HETATM 2610 CE2 PTR P 829 -2.132 -22.564 -13.223 1.00 1.25 C HETATM 2611 CZ PTR P 829 -3.100 -22.289 -12.282 1.00 0.70 C HETATM 2612 OH PTR P 829 -4.438 -22.610 -12.544 1.00 0.89 O HETATM 2613 P PTR P 829 -5.034 -23.880 -11.860 1.00 0.94 P HETATM 2614 O1P PTR P 829 -4.230 -25.064 -12.460 1.00 1.62 O HETATM 2615 O2P PTR P 829 -4.667 -23.727 -10.362 1.00 1.87 O HETATM 2616 O3P PTR P 829 -6.511 -24.016 -12.082 1.00 1.74 O HETATM 0 HE2 PTR P 829 -2.405 -23.030 -14.170 1.00 1.25 H new HETATM 0 HE1 PTR P 829 -3.529 -21.483 -10.341 1.00 1.44 H new HETATM 0 HD2 PTR P 829 -0.049 -22.466 -13.706 1.00 1.23 H new HETATM 0 HD1 PTR P 829 -1.173 -20.916 -9.879 1.00 1.35 H new HETATM 0 HB3 PTR P 829 1.068 -20.850 -10.488 1.00 0.54 H new HETATM 0 HB2 PTR P 829 1.336 -20.561 -12.195 1.00 0.54 H new HETATM 0 HA PTR P 829 1.675 -23.133 -12.387 1.00 0.55 H new ATOM 2625 N TYR P 830 3.785 -21.844 -12.956 1.00 0.54 N ATOM 2626 CA TYR P 830 5.138 -21.393 -13.261 1.00 0.62 C ATOM 2627 C TYR P 830 5.315 -21.184 -14.761 1.00 0.69 C ATOM 2628 O TYR P 830 4.637 -21.819 -15.570 1.00 1.06 O ATOM 2629 CB TYR P 830 6.165 -22.405 -12.750 1.00 0.71 C ATOM 2630 CG TYR P 830 5.797 -23.843 -13.039 1.00 0.73 C ATOM 2631 CD1 TYR P 830 5.845 -24.346 -14.333 1.00 1.05 C ATOM 2632 CD2 TYR P 830 5.402 -24.697 -12.017 1.00 0.73 C ATOM 2633 CE1 TYR P 830 5.509 -25.659 -14.601 1.00 1.19 C ATOM 2634 CE2 TYR P 830 5.065 -26.013 -12.276 1.00 0.82 C ATOM 2635 CZ TYR P 830 5.120 -26.488 -13.569 1.00 0.98 C ATOM 2636 OH TYR P 830 4.785 -27.797 -13.832 1.00 1.17 O ATOM 0 H TYR P 830 3.195 -21.991 -13.775 1.00 0.54 H new ATOM 0 HA TYR P 830 5.298 -20.440 -12.757 1.00 0.62 H new ATOM 0 HB2 TYR P 830 7.132 -22.188 -13.204 1.00 0.71 H new ATOM 0 HB3 TYR P 830 6.282 -22.278 -11.674 1.00 0.71 H new ATOM 0 HD1 TYR P 830 6.150 -23.700 -15.143 1.00 1.05 H new ATOM 0 HD2 TYR P 830 5.357 -24.327 -11.003 1.00 0.73 H new ATOM 0 HE1 TYR P 830 5.551 -26.034 -15.613 1.00 1.19 H new ATOM 0 HE2 TYR P 830 4.761 -26.665 -11.470 1.00 0.82 H new ATOM 0 HH TYR P 830 4.535 -28.245 -12.997 1.00 1.17 H new ATOM 2646 N LEU P 831 6.229 -20.292 -15.126 1.00 0.64 N ATOM 2647 CA LEU P 831 6.495 -20.000 -16.530 1.00 0.70 C ATOM 2648 C LEU P 831 7.985 -19.778 -16.767 1.00 0.93 C ATOM 2649 O LEU P 831 8.590 -18.880 -16.181 1.00 1.19 O ATOM 2650 CB LEU P 831 5.705 -18.766 -16.973 1.00 0.61 C ATOM 2651 CG LEU P 831 4.219 -19.011 -17.239 1.00 0.60 C ATOM 2652 CD1 LEU P 831 3.482 -17.691 -17.401 1.00 0.66 C ATOM 2653 CD2 LEU P 831 4.034 -19.881 -18.473 1.00 0.77 C ATOM 0 H LEU P 831 6.798 -19.758 -14.469 1.00 0.64 H new ATOM 0 HA LEU P 831 6.177 -20.858 -17.121 1.00 0.70 H new ATOM 0 HB2 LEU P 831 5.799 -17.998 -16.205 1.00 0.61 H new ATOM 0 HB3 LEU P 831 6.160 -18.368 -17.880 1.00 0.61 H new ATOM 0 HG LEU P 831 3.798 -19.537 -16.382 1.00 0.60 H new ATOM 0 HD11 LEU P 831 2.426 -17.885 -17.590 1.00 0.66 H new ATOM 0 HD12 LEU P 831 3.586 -17.102 -16.490 1.00 0.66 H new ATOM 0 HD13 LEU P 831 3.905 -17.139 -18.240 1.00 0.66 H new ATOM 0 HD21 LEU P 831 2.970 -20.045 -18.647 1.00 0.77 H new ATOM 0 HD22 LEU P 831 4.470 -19.382 -19.338 1.00 0.77 H new ATOM 0 HD23 LEU P 831 4.528 -20.840 -18.319 1.00 0.77 H new ATOM 2665 N ASP P 832 8.570 -20.601 -17.629 1.00 1.42 N ATOM 2666 CA ASP P 832 9.991 -20.495 -17.945 1.00 1.69 C ATOM 2667 C ASP P 832 10.206 -19.682 -19.216 1.00 2.24 C ATOM 2668 O ASP P 832 9.223 -19.472 -19.958 1.00 2.70 O ATOM 2669 CB ASP P 832 10.604 -21.886 -18.106 1.00 2.40 C ATOM 2670 CG ASP P 832 10.958 -22.521 -16.774 1.00 2.71 C ATOM 2671 OD1 ASP P 832 11.595 -21.839 -15.944 1.00 3.24 O ATOM 2672 OD2 ASP P 832 10.598 -23.698 -16.562 1.00 3.05 O ATOM 2673 OXT ASP P 832 11.357 -19.260 -19.460 1.00 2.88 O ATOM 0 H ASP P 832 8.083 -21.349 -18.122 1.00 1.42 H new ATOM 0 HA ASP P 832 10.484 -19.982 -17.119 1.00 1.69 H new ATOM 0 HB2 ASP P 832 9.903 -22.530 -18.637 1.00 2.40 H new ATOM 0 HB3 ASP P 832 11.501 -21.816 -18.721 1.00 2.40 H new TER 2678 ASP P 832 CONECT 2584 2601 CONECT 2601 2584 2602 2617 CONECT 2602 2601 2603 2605 2618 CONECT 2603 2602 2604 2625 CONECT 2604 2603 CONECT 2605 2602 2606 2619 2620 CONECT 2606 2605 2607 2608 CONECT 2607 2606 2609 2621 CONECT 2608 2606 2610 2622 CONECT 2609 2607 2611 2623 CONECT 2610 2608 2611 2624 CONECT 2611 2609 2610 2612 CONECT 2612 2611 2613 CONECT 2613 2612 2614 2615 2616 CONECT 2614 2613 CONECT 2615 2613 CONECT 2616 2613 CONECT 2617 2601 CONECT 2618 2602 CONECT 2619 2605 CONECT 2620 2605 CONECT 2621 2607 CONECT 2622 2608 CONECT 2623 2609 CONECT 2624 2610 CONECT 2625 2603 END