USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) HEADER PROTEIN BINDING 11-OCT-01 1K5O TITLE CPI-17(35-120) DELETION MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: CPI-17; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1-86; COMPND 5 SYNONYM: 17-KDA PKC-POTENTIATED INHIBITORY PROTEIN OF PP1; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; SOURCE 3 ORGANISM_COMMON: PIG; SOURCE 4 ORGANISM_TAXID: 9823; SOURCE 5 GENE: PORCINE AORTA; 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_VECTOR: PET30; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PET30::CPI(35-120) KEYWDS PHOSPHORYLATION, PP1-INHIBITOR, MLCP-INHIBITOR, PROTEIN KEYWDS 2 BINDING EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR S.OHKI,M.ETO,E.KARIYA,T.HAYANO,Y.HAYASHI,M.YAZAWA, AUTHOR 2 D.BRAUTIGAN,M.KAINOSHO REVDAT 2 24-FEB-09 1K5O 1 VERSN REVDAT 1 11-OCT-02 1K5O 0 JRNL AUTH S.OHKI,M.ETO,E.KARIYA,T.HAYANO,Y.HAYASHI,M.YAZAWA, JRNL AUTH 2 D.BRAUTIGAN,M.KAINOSHO JRNL TITL SOLUTION NMR STRUCTURE OF THE MYOSIN PHOSPHATASE JRNL TITL 2 INHIBITOR PROTEIN CPI-17 SHOWS JRNL TITL 3 PHOSPHORYLATION-INDUCED CONFORMATIONAL CHANGES JRNL TITL 4 RESPONSIBLE FOR ACTIVATION JRNL REF J.MOL.BIOL. V. 314 839 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11734001 JRNL DOI 10.1006/JMBI.2001.5200 REMARK 1 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: 1121 NMR-DERIVED DISTANCE AND ANGLE REMARK 3 RESTRAINTS REMARK 4 REMARK 4 1K5O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-OCT-01. REMARK 100 THE RCSB ID CODE IS RCSB014591. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 25 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 100MM KCL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1MM 13C/15N LABELED PROTEIN; REMARK 210 1MM 13C/15N LABELED PROTEIN; REMARK 210 1MM 15N LABELED PROTEIN; 1MM REMARK 210 UNLABELED PROTEIN REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX, AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, X-PLOR 3.851 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 ALA A 1 CA REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O VAL A 18 NE1 TRP A 21 2.06 REMARK 500 O LYS A 64 N THR A 67 2.06 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 2 -131.69 -57.49 REMARK 500 LYS A 6 -66.49 71.76 REMARK 500 TYR A 7 -174.59 69.96 REMARK 500 ASP A 8 -135.21 -74.42 REMARK 500 ARG A 9 -152.22 -138.49 REMARK 500 ARG A 10 151.95 57.39 REMARK 500 ASP A 23 -39.06 -39.77 REMARK 500 TYR A 30 17.41 -156.76 REMARK 500 ARG A 31 -77.15 -34.47 REMARK 500 ASP A 39 51.90 -110.61 REMARK 500 GLU A 40 57.33 -150.01 REMARK 500 VAL A 41 -166.65 -122.90 REMARK 500 ILE A 43 -38.62 -32.34 REMARK 500 SER A 51 -155.41 -66.68 REMARK 500 GLU A 52 -45.87 -132.31 REMARK 500 LYS A 64 -160.21 71.51 REMARK 500 SER A 65 -46.36 -27.01 REMARK 500 ASN A 68 -157.00 32.89 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 2 0.11 SIDE_CHAIN REMARK 500 ARG A 9 0.30 SIDE_CHAIN REMARK 500 ARG A 10 0.17 SIDE_CHAIN REMARK 500 ARG A 14 0.30 SIDE_CHAIN REMARK 500 ARG A 15 0.13 SIDE_CHAIN REMARK 500 ARG A 25 0.28 SIDE_CHAIN REMARK 500 ARG A 31 0.18 SIDE_CHAIN REMARK 500 ARG A 33 0.27 SIDE_CHAIN REMARK 500 ARG A 55 0.11 SIDE_CHAIN REMARK 500 ARG A 57 0.21 SIDE_CHAIN REMARK 500 ARG A 82 0.17 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1K5O A 1 86 UNP O18734 PP14A_PIG 35 120 SEQRES 1 A 86 ALA ARG VAL THR VAL LYS TYR ASP ARG ARG GLU LEU GLN SEQRES 2 A 86 ARG ARG LEU ASP VAL GLU LYS TRP ILE ASP GLY ARG LEU SEQRES 3 A 86 GLU GLU LEU TYR ARG GLY ARG GLU ALA ASP MET PRO ASP SEQRES 4 A 86 GLU VAL ASN ILE ASP GLU LEU LEU GLU LEU GLU SER GLU SEQRES 5 A 86 GLU GLU ARG SER ARG LYS ILE GLN GLY LEU LEU LYS SER SEQRES 6 A 86 CYS THR ASN PRO THR GLU ASN PHE VAL GLN GLU LEU LEU SEQRES 7 A 86 VAL LYS LEU ARG GLY LEU HIS LYS HELIX 1 1 GLU A 11 LEU A 16 1 6 HELIX 2 2 LEU A 16 TYR A 30 1 15 HELIX 3 3 ARG A 31 GLU A 34 5 4 HELIX 4 4 VAL A 41 GLU A 48 1 8 HELIX 5 5 GLU A 53 LYS A 64 1 12 HELIX 6 6 SER A 65 THR A 67 5 3 HELIX 7 7 GLU A 71 ARG A 82 1 12 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN : amide:sc= -0.404 K(o=-0.4,f=-3.8!) USER MOD Set 1.2: A 75 GLN : amide:sc= 0 X(o=-0.4,f=0.003) USER MOD Set 2.1: A 67 THR OG1 : rot 148:sc= -5.55! USER MOD Set 2.2: A 70 THR OG1 : rot -80:sc= -1.37! USER MOD Single : A 4 THR OG1 : rot 112:sc= -4.25! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 53:sc= -7.89! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0007) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= -3.26! USER MOD Single : A 37 MET CE :methyl -152:sc= -13.9! (180deg=-17.3!) USER MOD Single : A 42 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.2!) USER MOD Single : A 51 SER OG : rot -120:sc= -0.501 USER MOD Single : A 56 SER OG : rot 174:sc= -2.06! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0485 USER MOD Single : A 66 CYS SG : rot -160:sc= 0.377 USER MOD Single : A 68 ASN : amide:sc= -9.52! C(o=-9.5!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= -1.9 (180deg=-1.9) USER MOD Single : A 85 HIS : no HD1:sc= -12! C(o=-12!,f=-10!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 71.572 -7.983 2.032 1.00 3.36 N ATOM 2 C ALA A 1 72.508 -6.156 0.649 1.00 2.17 C ATOM 3 O ALA A 1 73.273 -6.838 -0.004 1.00 2.65 O ATOM 4 CB ALA A 1 73.266 -6.592 2.995 1.00 3.49 C ATOM 12 N ARG A 2 72.018 -5.042 0.181 1.00 1.76 N ATOM 13 CA ARG A 2 72.390 -4.570 -1.178 1.00 1.66 C ATOM 14 C ARG A 2 73.906 -4.417 -1.278 1.00 1.57 C ATOM 15 O ARG A 2 74.649 -5.304 -0.913 1.00 2.32 O ATOM 16 CB ARG A 2 71.677 -3.227 -1.333 1.00 2.37 C ATOM 17 CG ARG A 2 70.193 -3.415 -1.009 1.00 3.05 C ATOM 18 CD ARG A 2 69.339 -2.795 -2.115 1.00 3.93 C ATOM 19 NE ARG A 2 69.060 -3.918 -3.059 1.00 4.49 N ATOM 20 CZ ARG A 2 67.975 -4.632 -2.931 1.00 5.30 C ATOM 21 NH1 ARG A 2 66.948 -4.155 -2.283 1.00 5.90 N ATOM 22 NH2 ARG A 2 67.916 -5.822 -3.461 1.00 5.82 N ATOM 0 H ARG A 2 71.372 -4.436 0.686 1.00 1.76 H new ATOM 0 HA ARG A 2 72.100 -5.266 -1.965 1.00 1.66 H new ATOM 0 HB2 ARG A 2 72.118 -2.487 -0.666 1.00 2.37 H new ATOM 0 HB3 ARG A 2 71.797 -2.851 -2.349 1.00 2.37 H new ATOM 0 HG2 ARG A 2 69.964 -4.476 -0.912 1.00 3.05 H new ATOM 0 HG3 ARG A 2 69.959 -2.950 -0.052 1.00 3.05 H new ATOM 0 HD2 ARG A 2 68.416 -2.377 -1.714 1.00 3.93 H new ATOM 0 HD3 ARG A 2 69.867 -1.982 -2.613 1.00 3.93 H new ATOM 0 HE ARG A 2 69.721 -4.128 -3.807 1.00 4.49 H new ATOM 0 HH11 ARG A 2 66.991 -3.221 -1.875 1.00 5.90 H new ATOM 0 HH12 ARG A 2 66.102 -4.716 -2.185 1.00 5.90 H new ATOM 0 HH21 ARG A 2 68.716 -6.192 -3.974 1.00 5.82 H new ATOM 0 HH22 ARG A 2 67.070 -6.383 -3.363 1.00 5.82 H new ATOM 36 N VAL A 3 74.382 -3.315 -1.777 1.00 1.42 N ATOM 37 CA VAL A 3 75.855 -3.159 -1.903 1.00 1.82 C ATOM 38 C VAL A 3 76.290 -1.722 -1.609 1.00 1.51 C ATOM 39 O VAL A 3 76.492 -0.930 -2.507 1.00 2.21 O ATOM 40 CB VAL A 3 76.136 -3.534 -3.354 1.00 2.69 C ATOM 41 CG1 VAL A 3 75.267 -2.680 -4.280 1.00 3.13 C ATOM 42 CG2 VAL A 3 77.612 -3.301 -3.674 1.00 3.38 C ATOM 0 H VAL A 3 73.824 -2.524 -2.100 1.00 1.42 H new ATOM 0 HA VAL A 3 76.404 -3.778 -1.193 1.00 1.82 H new ATOM 0 HB VAL A 3 75.901 -4.588 -3.505 1.00 2.69 H new ATOM 0 HG11 VAL A 3 75.468 -2.948 -5.317 1.00 3.13 H new ATOM 0 HG12 VAL A 3 74.215 -2.857 -4.057 1.00 3.13 H new ATOM 0 HG13 VAL A 3 75.498 -1.626 -4.126 1.00 3.13 H new ATOM 0 HG21 VAL A 3 77.806 -3.571 -4.712 1.00 3.38 H new ATOM 0 HG22 VAL A 3 77.856 -2.250 -3.521 1.00 3.38 H new ATOM 0 HG23 VAL A 3 78.228 -3.916 -3.018 1.00 3.38 H new ATOM 52 N THR A 4 76.435 -1.383 -0.356 1.00 0.85 N ATOM 53 CA THR A 4 76.857 -0.011 0.010 1.00 0.82 C ATOM 54 C THR A 4 77.463 -0.015 1.420 1.00 0.80 C ATOM 55 O THR A 4 76.753 -0.069 2.402 1.00 1.35 O ATOM 56 CB THR A 4 75.563 0.787 -0.002 1.00 1.01 C ATOM 57 OG1 THR A 4 74.542 0.031 0.630 1.00 1.67 O ATOM 58 CG2 THR A 4 75.152 1.104 -1.442 1.00 1.46 C ATOM 0 H THR A 4 76.276 -2.009 0.434 1.00 0.85 H new ATOM 0 HA THR A 4 77.609 0.399 -0.664 1.00 0.82 H new ATOM 0 HB THR A 4 75.714 1.724 0.535 1.00 1.01 H new ATOM 0 HG1 THR A 4 74.285 0.466 1.470 1.00 1.67 H new ATOM 0 HG21 THR A 4 74.224 1.676 -1.438 1.00 1.46 H new ATOM 0 HG22 THR A 4 75.936 1.688 -1.924 1.00 1.46 H new ATOM 0 HG23 THR A 4 75.003 0.174 -1.991 1.00 1.46 H new ATOM 66 N VAL A 5 78.763 0.033 1.534 1.00 0.69 N ATOM 67 CA VAL A 5 79.387 0.023 2.892 1.00 0.63 C ATOM 68 C VAL A 5 80.116 1.344 3.161 1.00 0.75 C ATOM 69 O VAL A 5 80.639 1.966 2.264 1.00 1.30 O ATOM 70 CB VAL A 5 80.378 -1.140 2.863 1.00 0.68 C ATOM 71 CG1 VAL A 5 81.613 -0.742 2.050 1.00 1.00 C ATOM 72 CG2 VAL A 5 80.797 -1.491 4.291 1.00 0.87 C ATOM 0 H VAL A 5 79.417 0.078 0.753 1.00 0.69 H new ATOM 0 HA VAL A 5 78.645 -0.090 3.682 1.00 0.63 H new ATOM 0 HB VAL A 5 79.905 -2.006 2.401 1.00 0.68 H new ATOM 0 HG11 VAL A 5 82.319 -1.572 2.030 1.00 1.00 H new ATOM 0 HG12 VAL A 5 81.314 -0.496 1.031 1.00 1.00 H new ATOM 0 HG13 VAL A 5 82.087 0.126 2.509 1.00 1.00 H new ATOM 0 HG21 VAL A 5 81.504 -2.321 4.269 1.00 0.87 H new ATOM 0 HG22 VAL A 5 81.268 -0.625 4.755 1.00 0.87 H new ATOM 0 HG23 VAL A 5 79.918 -1.778 4.868 1.00 0.87 H new ATOM 82 N LYS A 6 80.151 1.774 4.394 1.00 0.73 N ATOM 83 CA LYS A 6 80.843 3.057 4.725 1.00 0.89 C ATOM 84 C LYS A 6 80.023 4.244 4.200 1.00 0.91 C ATOM 85 O LYS A 6 79.491 5.025 4.963 1.00 1.77 O ATOM 86 CB LYS A 6 82.206 2.979 4.026 1.00 0.98 C ATOM 87 CG LYS A 6 82.856 1.617 4.303 1.00 1.04 C ATOM 88 CD LYS A 6 83.846 1.753 5.462 1.00 1.50 C ATOM 89 CE LYS A 6 85.256 1.419 4.970 1.00 1.79 C ATOM 90 NZ LYS A 6 86.151 1.763 6.109 1.00 2.36 N ATOM 0 H LYS A 6 79.730 1.292 5.189 1.00 0.73 H new ATOM 0 HA LYS A 6 80.957 3.200 5.799 1.00 0.89 H new ATOM 0 HB2 LYS A 6 82.083 3.122 2.952 1.00 0.98 H new ATOM 0 HB3 LYS A 6 82.854 3.780 4.382 1.00 0.98 H new ATOM 0 HG2 LYS A 6 82.091 0.880 4.548 1.00 1.04 H new ATOM 0 HG3 LYS A 6 83.370 1.259 3.411 1.00 1.04 H new ATOM 0 HD2 LYS A 6 83.819 2.767 5.860 1.00 1.50 H new ATOM 0 HD3 LYS A 6 83.565 1.084 6.275 1.00 1.50 H new ATOM 0 HE2 LYS A 6 85.342 0.365 4.704 1.00 1.79 H new ATOM 0 HE3 LYS A 6 85.510 1.994 4.080 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 87.137 1.561 5.849 1.00 2.36 H new ATOM 0 HZ2 LYS A 6 86.052 2.773 6.335 1.00 2.36 H new ATOM 0 HZ3 LYS A 6 85.889 1.195 6.940 1.00 2.36 H new ATOM 104 N TYR A 7 79.906 4.377 2.906 1.00 0.52 N ATOM 105 CA TYR A 7 79.104 5.503 2.332 1.00 0.49 C ATOM 106 C TYR A 7 79.805 6.850 2.553 1.00 0.73 C ATOM 107 O TYR A 7 80.923 6.912 3.027 1.00 1.37 O ATOM 108 CB TYR A 7 77.767 5.457 3.079 1.00 0.71 C ATOM 109 CG TYR A 7 76.661 5.154 2.096 1.00 0.97 C ATOM 110 CD1 TYR A 7 76.587 5.856 0.889 1.00 1.67 C ATOM 111 CD2 TYR A 7 75.713 4.170 2.389 1.00 1.71 C ATOM 112 CE1 TYR A 7 75.566 5.576 -0.025 1.00 2.08 C ATOM 113 CE2 TYR A 7 74.691 3.889 1.475 1.00 2.08 C ATOM 114 CZ TYR A 7 74.618 4.592 0.268 1.00 1.97 C ATOM 115 OH TYR A 7 73.611 4.315 -0.635 1.00 2.52 O ATOM 0 H TYR A 7 80.331 3.755 2.218 1.00 0.52 H new ATOM 0 HA TYR A 7 78.977 5.402 1.254 1.00 0.49 H new ATOM 0 HB2 TYR A 7 77.797 4.695 3.857 1.00 0.71 H new ATOM 0 HB3 TYR A 7 77.580 6.410 3.574 1.00 0.71 H new ATOM 0 HD1 TYR A 7 77.320 6.616 0.662 1.00 1.67 H new ATOM 0 HD2 TYR A 7 75.769 3.626 3.321 1.00 1.71 H new ATOM 0 HE1 TYR A 7 75.510 6.120 -0.956 1.00 2.08 H new ATOM 0 HE2 TYR A 7 73.958 3.129 1.702 1.00 2.08 H new ATOM 0 HH TYR A 7 74.002 4.130 -1.514 1.00 2.52 H new ATOM 125 N ASP A 8 79.156 7.929 2.194 1.00 0.77 N ATOM 126 CA ASP A 8 79.778 9.277 2.361 1.00 1.11 C ATOM 127 C ASP A 8 79.780 9.705 3.833 1.00 0.81 C ATOM 128 O ASP A 8 80.116 8.935 4.712 1.00 1.46 O ATOM 129 CB ASP A 8 78.915 10.229 1.531 1.00 2.17 C ATOM 130 CG ASP A 8 79.812 11.306 0.917 1.00 2.95 C ATOM 131 OD1 ASP A 8 80.611 11.869 1.646 1.00 3.52 O ATOM 132 OD2 ASP A 8 79.690 11.545 -0.273 1.00 3.49 O ATOM 0 H ASP A 8 78.219 7.934 1.791 1.00 0.77 H new ATOM 0 HA ASP A 8 80.818 9.278 2.036 1.00 1.11 H new ATOM 0 HB2 ASP A 8 78.396 9.679 0.746 1.00 2.17 H new ATOM 0 HB3 ASP A 8 78.151 10.688 2.158 1.00 2.17 H new ATOM 137 N ARG A 9 79.416 10.932 4.107 1.00 0.81 N ATOM 138 CA ARG A 9 79.404 11.416 5.519 1.00 1.27 C ATOM 139 C ARG A 9 78.154 12.266 5.782 1.00 1.35 C ATOM 140 O ARG A 9 77.129 12.091 5.155 1.00 2.13 O ATOM 141 CB ARG A 9 80.665 12.270 5.647 1.00 1.79 C ATOM 142 CG ARG A 9 81.569 11.696 6.739 1.00 2.44 C ATOM 143 CD ARG A 9 82.542 12.778 7.215 1.00 2.96 C ATOM 144 NE ARG A 9 83.898 12.206 6.989 1.00 3.54 N ATOM 145 CZ ARG A 9 84.697 12.749 6.111 1.00 4.07 C ATOM 146 NH1 ARG A 9 85.272 13.892 6.370 1.00 4.52 N ATOM 147 NH2 ARG A 9 84.923 12.148 4.974 1.00 4.53 N ATOM 0 H ARG A 9 79.126 11.620 3.412 1.00 0.81 H new ATOM 0 HA ARG A 9 79.385 10.596 6.237 1.00 1.27 H new ATOM 0 HB2 ARG A 9 81.198 12.294 4.696 1.00 1.79 H new ATOM 0 HB3 ARG A 9 80.396 13.299 5.888 1.00 1.79 H new ATOM 0 HG2 ARG A 9 80.967 11.340 7.575 1.00 2.44 H new ATOM 0 HG3 ARG A 9 82.121 10.838 6.356 1.00 2.44 H new ATOM 0 HD2 ARG A 9 82.406 13.704 6.656 1.00 2.96 H new ATOM 0 HD3 ARG A 9 82.384 13.015 8.267 1.00 2.96 H new ATOM 0 HE ARG A 9 84.203 11.390 7.520 1.00 3.54 H new ATOM 0 HH11 ARG A 9 85.097 14.361 7.259 1.00 4.52 H new ATOM 0 HH12 ARG A 9 85.896 14.316 5.684 1.00 4.52 H new ATOM 0 HH21 ARG A 9 84.475 11.254 4.772 1.00 4.53 H new ATOM 0 HH22 ARG A 9 85.547 12.572 4.288 1.00 4.53 H new ATOM 161 N ARG A 10 78.234 13.189 6.707 1.00 0.99 N ATOM 162 CA ARG A 10 77.053 14.054 7.013 1.00 1.03 C ATOM 163 C ARG A 10 75.853 13.189 7.410 1.00 0.92 C ATOM 164 O ARG A 10 75.734 12.054 6.991 1.00 0.99 O ATOM 165 CB ARG A 10 76.767 14.810 5.715 1.00 1.17 C ATOM 166 CG ARG A 10 76.828 16.317 5.975 1.00 1.68 C ATOM 167 CD ARG A 10 77.095 17.053 4.660 1.00 1.95 C ATOM 168 NE ARG A 10 78.061 18.131 5.011 1.00 2.23 N ATOM 169 CZ ARG A 10 77.637 19.351 5.200 1.00 2.77 C ATOM 170 NH1 ARG A 10 76.466 19.559 5.739 1.00 3.46 N ATOM 171 NH2 ARG A 10 78.383 20.363 4.851 1.00 3.18 N ATOM 0 H ARG A 10 79.066 13.381 7.264 1.00 0.99 H new ATOM 0 HA ARG A 10 77.242 14.733 7.844 1.00 1.03 H new ATOM 0 HB2 ARG A 10 77.495 14.532 4.953 1.00 1.17 H new ATOM 0 HB3 ARG A 10 75.784 14.536 5.332 1.00 1.17 H new ATOM 0 HG2 ARG A 10 75.890 16.659 6.411 1.00 1.68 H new ATOM 0 HG3 ARG A 10 77.615 16.541 6.695 1.00 1.68 H new ATOM 0 HD2 ARG A 10 77.510 16.381 3.909 1.00 1.95 H new ATOM 0 HD3 ARG A 10 76.176 17.466 4.245 1.00 1.95 H new ATOM 0 HE ARG A 10 79.054 17.916 5.104 1.00 2.23 H new ATOM 0 HH11 ARG A 10 75.883 18.768 6.012 1.00 3.46 H new ATOM 0 HH12 ARG A 10 76.135 20.512 5.887 1.00 3.46 H new ATOM 0 HH21 ARG A 10 79.298 20.201 4.430 1.00 3.18 H new ATOM 0 HH22 ARG A 10 78.051 21.316 4.999 1.00 3.18 H new ATOM 185 N GLU A 11 74.963 13.711 8.215 1.00 0.98 N ATOM 186 CA GLU A 11 73.778 12.903 8.630 1.00 0.89 C ATOM 187 C GLU A 11 74.221 11.481 8.942 1.00 0.72 C ATOM 188 O GLU A 11 73.731 10.527 8.370 1.00 0.89 O ATOM 189 CB GLU A 11 72.839 12.925 7.423 1.00 1.04 C ATOM 190 CG GLU A 11 72.050 14.238 7.408 1.00 1.54 C ATOM 191 CD GLU A 11 72.830 15.298 6.626 1.00 1.83 C ATOM 192 OE1 GLU A 11 74.016 15.433 6.870 1.00 2.31 O ATOM 193 OE2 GLU A 11 72.224 15.958 5.797 1.00 2.35 O ATOM 0 H GLU A 11 75.005 14.655 8.600 1.00 0.98 H new ATOM 0 HA GLU A 11 73.291 13.295 9.523 1.00 0.89 H new ATOM 0 HB2 GLU A 11 73.413 12.823 6.502 1.00 1.04 H new ATOM 0 HB3 GLU A 11 72.154 12.078 7.467 1.00 1.04 H new ATOM 0 HG2 GLU A 11 71.073 14.081 6.952 1.00 1.54 H new ATOM 0 HG3 GLU A 11 71.875 14.580 8.428 1.00 1.54 H new ATOM 200 N LEU A 12 75.151 11.328 9.842 1.00 0.62 N ATOM 201 CA LEU A 12 75.622 9.963 10.174 1.00 0.62 C ATOM 202 C LEU A 12 74.680 9.300 11.167 1.00 0.67 C ATOM 203 O LEU A 12 74.568 8.098 11.198 1.00 1.08 O ATOM 204 CB LEU A 12 77.022 10.137 10.739 1.00 0.94 C ATOM 205 CG LEU A 12 78.000 9.830 9.613 1.00 1.29 C ATOM 206 CD1 LEU A 12 77.823 8.370 9.189 1.00 1.35 C ATOM 207 CD2 LEU A 12 77.679 10.738 8.422 1.00 1.39 C ATOM 0 H LEU A 12 75.600 12.085 10.357 1.00 0.62 H new ATOM 0 HA LEU A 12 75.639 9.310 9.302 1.00 0.62 H new ATOM 0 HB2 LEU A 12 77.165 11.153 11.107 1.00 0.94 H new ATOM 0 HB3 LEU A 12 77.183 9.466 11.583 1.00 0.94 H new ATOM 0 HG LEU A 12 79.024 9.999 9.947 1.00 1.29 H new ATOM 0 HD11 LEU A 12 78.519 8.138 8.382 1.00 1.35 H new ATOM 0 HD12 LEU A 12 78.023 7.718 10.039 1.00 1.35 H new ATOM 0 HD13 LEU A 12 76.801 8.213 8.843 1.00 1.35 H new ATOM 0 HD21 LEU A 12 78.372 10.529 7.608 1.00 1.39 H new ATOM 0 HD22 LEU A 12 76.659 10.551 8.087 1.00 1.39 H new ATOM 0 HD23 LEU A 12 77.777 11.781 8.723 1.00 1.39 H new ATOM 219 N GLN A 13 73.940 10.054 11.927 1.00 0.51 N ATOM 220 CA GLN A 13 72.968 9.393 12.826 1.00 0.64 C ATOM 221 C GLN A 13 72.039 8.647 11.892 1.00 0.68 C ATOM 222 O GLN A 13 71.393 7.678 12.235 1.00 0.79 O ATOM 223 CB GLN A 13 72.244 10.517 13.570 1.00 0.82 C ATOM 224 CG GLN A 13 72.643 10.492 15.047 1.00 1.62 C ATOM 225 CD GLN A 13 72.193 11.790 15.722 1.00 2.04 C ATOM 226 OE1 GLN A 13 71.046 12.176 15.619 1.00 2.41 O ATOM 227 NE2 GLN A 13 73.056 12.484 16.414 1.00 2.70 N ATOM 0 H GLN A 13 73.966 11.073 11.964 1.00 0.51 H new ATOM 0 HA GLN A 13 73.395 8.709 13.559 1.00 0.64 H new ATOM 0 HB2 GLN A 13 72.498 11.481 13.130 1.00 0.82 H new ATOM 0 HB3 GLN A 13 71.165 10.396 13.472 1.00 0.82 H new ATOM 0 HG2 GLN A 13 72.187 9.635 15.543 1.00 1.62 H new ATOM 0 HG3 GLN A 13 73.723 10.377 15.141 1.00 1.62 H new ATOM 0 HE21 GLN A 13 74.019 12.160 16.500 1.00 2.70 H new ATOM 0 HE22 GLN A 13 72.767 13.350 16.868 1.00 2.70 H new ATOM 236 N ARG A 14 72.038 9.106 10.673 1.00 0.70 N ATOM 237 CA ARG A 14 71.240 8.478 9.603 1.00 0.90 C ATOM 238 C ARG A 14 72.093 7.398 8.981 1.00 0.82 C ATOM 239 O ARG A 14 71.784 6.224 9.030 1.00 0.83 O ATOM 240 CB ARG A 14 71.023 9.604 8.599 1.00 1.10 C ATOM 241 CG ARG A 14 71.001 10.931 9.350 1.00 1.09 C ATOM 242 CD ARG A 14 69.921 11.844 8.769 1.00 1.35 C ATOM 243 NE ARG A 14 69.325 12.528 9.950 1.00 1.60 N ATOM 244 CZ ARG A 14 68.171 13.129 9.844 1.00 1.84 C ATOM 245 NH1 ARG A 14 67.079 12.425 9.727 1.00 2.40 N ATOM 246 NH2 ARG A 14 68.110 14.433 9.854 1.00 2.36 N ATOM 0 H ARG A 14 72.578 9.918 10.372 1.00 0.70 H new ATOM 0 HA ARG A 14 70.300 8.040 9.940 1.00 0.90 H new ATOM 0 HB2 ARG A 14 71.819 9.605 7.854 1.00 1.10 H new ATOM 0 HB3 ARG A 14 70.085 9.457 8.063 1.00 1.10 H new ATOM 0 HG2 ARG A 14 70.810 10.756 10.409 1.00 1.09 H new ATOM 0 HG3 ARG A 14 71.975 11.415 9.278 1.00 1.09 H new ATOM 0 HD2 ARG A 14 70.346 12.563 8.068 1.00 1.35 H new ATOM 0 HD3 ARG A 14 69.171 11.272 8.223 1.00 1.35 H new ATOM 0 HE ARG A 14 69.819 12.527 10.842 1.00 1.60 H new ATOM 0 HH11 ARG A 14 67.127 11.406 9.718 1.00 2.40 H new ATOM 0 HH12 ARG A 14 66.177 12.893 9.644 1.00 2.40 H new ATOM 0 HH21 ARG A 14 68.964 14.983 9.945 1.00 2.36 H new ATOM 0 HH22 ARG A 14 67.208 14.902 9.771 1.00 2.36 H new ATOM 260 N ARG A 15 73.193 7.799 8.421 1.00 0.80 N ATOM 261 CA ARG A 15 74.103 6.810 7.820 1.00 0.84 C ATOM 262 C ARG A 15 74.493 5.815 8.895 1.00 0.65 C ATOM 263 O ARG A 15 74.949 4.726 8.611 1.00 0.70 O ATOM 264 CB ARG A 15 75.316 7.604 7.339 1.00 0.99 C ATOM 265 CG ARG A 15 75.393 7.545 5.813 1.00 2.15 C ATOM 266 CD ARG A 15 76.819 7.871 5.365 1.00 2.95 C ATOM 267 NE ARG A 15 77.621 6.671 5.737 1.00 3.89 N ATOM 268 CZ ARG A 15 78.610 6.777 6.583 1.00 4.78 C ATOM 269 NH1 ARG A 15 79.230 7.916 6.731 1.00 5.09 N ATOM 270 NH2 ARG A 15 78.986 5.736 7.274 1.00 5.65 N ATOM 0 H ARG A 15 73.497 8.770 8.356 1.00 0.80 H new ATOM 0 HA ARG A 15 73.656 6.258 6.993 1.00 0.84 H new ATOM 0 HB2 ARG A 15 75.240 8.640 7.670 1.00 0.99 H new ATOM 0 HB3 ARG A 15 76.227 7.196 7.776 1.00 0.99 H new ATOM 0 HG2 ARG A 15 75.107 6.554 5.461 1.00 2.15 H new ATOM 0 HG3 ARG A 15 74.691 8.254 5.374 1.00 2.15 H new ATOM 0 HD2 ARG A 15 76.863 8.059 4.292 1.00 2.95 H new ATOM 0 HD3 ARG A 15 77.194 8.766 5.861 1.00 2.95 H new ATOM 0 HE ARG A 15 77.396 5.763 5.329 1.00 3.89 H new ATOM 0 HH11 ARG A 15 78.942 8.728 6.185 1.00 5.09 H new ATOM 0 HH12 ARG A 15 80.002 7.994 7.393 1.00 5.09 H new ATOM 0 HH21 ARG A 15 78.508 4.843 7.152 1.00 5.65 H new ATOM 0 HH22 ARG A 15 79.758 5.815 7.936 1.00 5.65 H new ATOM 284 N LEU A 16 74.291 6.163 10.140 1.00 0.50 N ATOM 285 CA LEU A 16 74.633 5.189 11.205 1.00 0.47 C ATOM 286 C LEU A 16 73.739 3.973 11.019 1.00 0.44 C ATOM 287 O LEU A 16 74.112 2.854 11.317 1.00 0.49 O ATOM 288 CB LEU A 16 74.366 5.889 12.535 1.00 0.54 C ATOM 289 CG LEU A 16 75.709 6.197 13.197 1.00 0.71 C ATOM 290 CD1 LEU A 16 76.481 4.891 13.396 1.00 0.80 C ATOM 291 CD2 LEU A 16 76.525 7.125 12.292 1.00 0.79 C ATOM 0 H LEU A 16 73.914 7.057 10.455 1.00 0.50 H new ATOM 0 HA LEU A 16 75.671 4.859 11.173 1.00 0.47 H new ATOM 0 HB2 LEU A 16 73.803 6.808 12.373 1.00 0.54 H new ATOM 0 HB3 LEU A 16 73.761 5.255 13.183 1.00 0.54 H new ATOM 0 HG LEU A 16 75.538 6.680 14.159 1.00 0.71 H new ATOM 0 HD11 LEU A 16 77.440 5.104 13.868 1.00 0.80 H new ATOM 0 HD12 LEU A 16 75.904 4.221 14.033 1.00 0.80 H new ATOM 0 HD13 LEU A 16 76.650 4.417 12.429 1.00 0.80 H new ATOM 0 HD21 LEU A 16 77.482 7.344 12.764 1.00 0.79 H new ATOM 0 HD22 LEU A 16 76.697 6.638 11.332 1.00 0.79 H new ATOM 0 HD23 LEU A 16 75.977 8.054 12.135 1.00 0.79 H new ATOM 303 N ASP A 17 72.577 4.181 10.458 1.00 0.48 N ATOM 304 CA ASP A 17 71.682 3.031 10.180 1.00 0.53 C ATOM 305 C ASP A 17 72.124 2.449 8.844 1.00 0.47 C ATOM 306 O ASP A 17 71.935 1.287 8.549 1.00 0.50 O ATOM 307 CB ASP A 17 70.273 3.616 10.090 1.00 0.64 C ATOM 308 CG ASP A 17 69.367 2.915 11.104 1.00 0.92 C ATOM 309 OD1 ASP A 17 69.541 3.150 12.289 1.00 1.18 O ATOM 310 OD2 ASP A 17 68.514 2.153 10.679 1.00 1.72 O ATOM 0 H ASP A 17 72.215 5.094 10.183 1.00 0.48 H new ATOM 0 HA ASP A 17 71.711 2.247 10.937 1.00 0.53 H new ATOM 0 HB2 ASP A 17 70.299 4.688 10.288 1.00 0.64 H new ATOM 0 HB3 ASP A 17 69.878 3.488 9.082 1.00 0.64 H new ATOM 315 N VAL A 18 72.776 3.271 8.067 1.00 0.46 N ATOM 316 CA VAL A 18 73.318 2.832 6.758 1.00 0.49 C ATOM 317 C VAL A 18 74.791 2.517 6.974 1.00 0.49 C ATOM 318 O VAL A 18 75.572 2.370 6.055 1.00 0.89 O ATOM 319 CB VAL A 18 73.136 4.018 5.808 1.00 0.53 C ATOM 320 CG1 VAL A 18 73.897 3.774 4.507 1.00 1.03 C ATOM 321 CG2 VAL A 18 71.656 4.189 5.484 1.00 0.95 C ATOM 0 H VAL A 18 72.957 4.249 8.294 1.00 0.46 H new ATOM 0 HA VAL A 18 72.825 1.951 6.346 1.00 0.49 H new ATOM 0 HB VAL A 18 73.521 4.915 6.292 1.00 0.53 H new ATOM 0 HG11 VAL A 18 73.759 4.625 3.840 1.00 1.03 H new ATOM 0 HG12 VAL A 18 74.958 3.651 4.724 1.00 1.03 H new ATOM 0 HG13 VAL A 18 73.518 2.872 4.027 1.00 1.03 H new ATOM 0 HG21 VAL A 18 71.527 5.034 4.807 1.00 0.95 H new ATOM 0 HG22 VAL A 18 71.281 3.283 5.009 1.00 0.95 H new ATOM 0 HG23 VAL A 18 71.101 4.373 6.404 1.00 0.95 H new ATOM 331 N GLU A 19 75.157 2.382 8.208 1.00 0.42 N ATOM 332 CA GLU A 19 76.548 2.026 8.556 1.00 0.46 C ATOM 333 C GLU A 19 76.476 0.700 9.298 1.00 0.40 C ATOM 334 O GLU A 19 77.408 -0.082 9.320 1.00 0.46 O ATOM 335 CB GLU A 19 77.042 3.147 9.473 1.00 0.55 C ATOM 336 CG GLU A 19 78.512 2.910 9.826 1.00 0.83 C ATOM 337 CD GLU A 19 78.968 3.959 10.843 1.00 1.33 C ATOM 338 OE1 GLU A 19 78.905 5.134 10.521 1.00 2.03 O ATOM 339 OE2 GLU A 19 79.374 3.569 11.925 1.00 2.01 O ATOM 0 H GLU A 19 74.536 2.506 9.008 1.00 0.42 H new ATOM 0 HA GLU A 19 77.217 1.924 7.701 1.00 0.46 H new ATOM 0 HB2 GLU A 19 76.927 4.112 8.979 1.00 0.55 H new ATOM 0 HB3 GLU A 19 76.440 3.180 10.381 1.00 0.55 H new ATOM 0 HG2 GLU A 19 78.641 1.909 10.237 1.00 0.83 H new ATOM 0 HG3 GLU A 19 79.127 2.968 8.928 1.00 0.83 H new ATOM 346 N LYS A 20 75.337 0.443 9.890 1.00 0.34 N ATOM 347 CA LYS A 20 75.145 -0.837 10.632 1.00 0.35 C ATOM 348 C LYS A 20 74.551 -1.905 9.704 1.00 0.34 C ATOM 349 O LYS A 20 74.953 -3.053 9.729 1.00 0.37 O ATOM 350 CB LYS A 20 74.167 -0.499 11.756 1.00 0.38 C ATOM 351 CG LYS A 20 74.547 -1.279 13.015 1.00 0.80 C ATOM 352 CD LYS A 20 74.198 -0.453 14.255 1.00 0.84 C ATOM 353 CE LYS A 20 73.598 -1.368 15.325 1.00 1.43 C ATOM 354 NZ LYS A 20 73.794 -0.638 16.609 1.00 2.01 N ATOM 0 H LYS A 20 74.530 1.067 9.891 1.00 0.34 H new ATOM 0 HA LYS A 20 76.084 -1.237 11.015 1.00 0.35 H new ATOM 0 HB2 LYS A 20 74.186 0.572 11.959 1.00 0.38 H new ATOM 0 HB3 LYS A 20 73.150 -0.748 11.454 1.00 0.38 H new ATOM 0 HG2 LYS A 20 74.017 -2.231 13.039 1.00 0.80 H new ATOM 0 HG3 LYS A 20 75.613 -1.507 13.006 1.00 0.80 H new ATOM 0 HD2 LYS A 20 75.091 0.039 14.641 1.00 0.84 H new ATOM 0 HD3 LYS A 20 73.489 0.333 13.994 1.00 0.84 H new ATOM 0 HE2 LYS A 20 72.541 -1.557 15.136 1.00 1.43 H new ATOM 0 HE3 LYS A 20 74.097 -2.337 15.341 1.00 1.43 H new ATOM 0 HZ1 LYS A 20 73.407 -1.203 17.392 1.00 2.01 H new ATOM 0 HZ2 LYS A 20 74.810 -0.478 16.766 1.00 2.01 H new ATOM 0 HZ3 LYS A 20 73.302 0.277 16.567 1.00 2.01 H new ATOM 368 N TRP A 21 73.603 -1.539 8.878 1.00 0.33 N ATOM 369 CA TRP A 21 72.996 -2.540 7.949 1.00 0.34 C ATOM 370 C TRP A 21 74.093 -3.274 7.173 1.00 0.33 C ATOM 371 O TRP A 21 73.987 -4.448 6.870 1.00 0.39 O ATOM 372 CB TRP A 21 72.129 -1.716 6.985 1.00 0.37 C ATOM 373 CG TRP A 21 72.999 -0.775 6.201 1.00 0.36 C ATOM 374 CD1 TRP A 21 74.153 -0.235 6.652 1.00 0.43 C ATOM 375 CD2 TRP A 21 72.809 -0.237 4.852 1.00 0.35 C ATOM 376 NE1 TRP A 21 74.702 0.547 5.662 1.00 0.41 N ATOM 377 CE2 TRP A 21 73.907 0.601 4.548 1.00 0.38 C ATOM 378 CE3 TRP A 21 71.813 -0.392 3.869 1.00 0.42 C ATOM 379 CZ2 TRP A 21 74.018 1.260 3.327 1.00 0.42 C ATOM 380 CZ3 TRP A 21 71.923 0.279 2.635 1.00 0.50 C ATOM 381 CH2 TRP A 21 73.022 1.101 2.372 1.00 0.49 C ATOM 0 H TRP A 21 73.225 -0.594 8.807 1.00 0.33 H new ATOM 0 HA TRP A 21 72.417 -3.294 8.481 1.00 0.34 H new ATOM 0 HB2 TRP A 21 71.591 -2.379 6.308 1.00 0.37 H new ATOM 0 HB3 TRP A 21 71.380 -1.154 7.543 1.00 0.37 H new ATOM 0 HD1 TRP A 21 74.577 -0.392 7.633 1.00 0.43 H new ATOM 0 HE1 TRP A 21 75.596 1.030 5.748 1.00 0.41 H new ATOM 0 HE3 TRP A 21 70.961 -1.028 4.062 1.00 0.42 H new ATOM 0 HZ2 TRP A 21 74.872 1.890 3.124 1.00 0.42 H new ATOM 0 HZ3 TRP A 21 71.153 0.157 1.888 1.00 0.50 H new ATOM 0 HH2 TRP A 21 73.097 1.614 1.424 1.00 0.49 H new ATOM 392 N ILE A 22 75.141 -2.583 6.841 1.00 0.32 N ATOM 393 CA ILE A 22 76.236 -3.204 6.068 1.00 0.35 C ATOM 394 C ILE A 22 77.313 -3.761 6.997 1.00 0.37 C ATOM 395 O ILE A 22 77.738 -4.887 6.854 1.00 0.38 O ATOM 396 CB ILE A 22 76.793 -2.063 5.212 1.00 0.38 C ATOM 397 CG1 ILE A 22 77.241 -0.906 6.112 1.00 0.43 C ATOM 398 CG2 ILE A 22 75.706 -1.557 4.258 1.00 0.38 C ATOM 399 CD1 ILE A 22 78.727 -1.054 6.440 1.00 0.64 C ATOM 0 H ILE A 22 75.284 -1.601 7.077 1.00 0.32 H new ATOM 0 HA ILE A 22 75.892 -4.045 5.467 1.00 0.35 H new ATOM 0 HB ILE A 22 77.644 -2.434 4.641 1.00 0.38 H new ATOM 0 HG12 ILE A 22 77.062 0.046 5.613 1.00 0.43 H new ATOM 0 HG13 ILE A 22 76.655 -0.899 7.031 1.00 0.43 H new ATOM 0 HG21 ILE A 22 76.105 -0.745 3.650 1.00 0.38 H new ATOM 0 HG22 ILE A 22 75.383 -2.371 3.609 1.00 0.38 H new ATOM 0 HG23 ILE A 22 74.856 -1.194 4.835 1.00 0.38 H new ATOM 0 HD11 ILE A 22 79.042 -0.230 7.080 1.00 0.64 H new ATOM 0 HD12 ILE A 22 78.893 -1.999 6.957 1.00 0.64 H new ATOM 0 HD13 ILE A 22 79.307 -1.039 5.517 1.00 0.64 H new ATOM 411 N ASP A 23 77.770 -2.988 7.940 1.00 0.38 N ATOM 412 CA ASP A 23 78.832 -3.498 8.843 1.00 0.43 C ATOM 413 C ASP A 23 78.568 -4.956 9.197 1.00 0.43 C ATOM 414 O ASP A 23 79.476 -5.758 9.254 1.00 0.47 O ATOM 415 CB ASP A 23 78.778 -2.610 10.086 1.00 0.46 C ATOM 416 CG ASP A 23 80.000 -2.885 10.965 1.00 1.01 C ATOM 417 OD1 ASP A 23 81.012 -3.300 10.424 1.00 1.56 O ATOM 418 OD2 ASP A 23 79.903 -2.676 12.163 1.00 1.72 O ATOM 0 H ASP A 23 77.457 -2.035 8.122 1.00 0.38 H new ATOM 0 HA ASP A 23 79.817 -3.463 8.377 1.00 0.43 H new ATOM 0 HB2 ASP A 23 78.756 -1.560 9.795 1.00 0.46 H new ATOM 0 HB3 ASP A 23 77.863 -2.805 10.646 1.00 0.46 H new ATOM 423 N GLY A 24 77.336 -5.313 9.410 1.00 0.41 N ATOM 424 CA GLY A 24 77.025 -6.729 9.734 1.00 0.44 C ATOM 425 C GLY A 24 76.817 -7.482 8.425 1.00 0.42 C ATOM 426 O GLY A 24 77.447 -8.498 8.157 1.00 0.45 O ATOM 0 H GLY A 24 76.532 -4.687 9.374 1.00 0.41 H new ATOM 0 HA2 GLY A 24 77.839 -7.176 10.305 1.00 0.44 H new ATOM 0 HA3 GLY A 24 76.130 -6.790 10.354 1.00 0.44 H new ATOM 430 N ARG A 25 75.962 -6.980 7.581 1.00 0.39 N ATOM 431 CA ARG A 25 75.752 -7.668 6.291 1.00 0.38 C ATOM 432 C ARG A 25 77.072 -7.667 5.537 1.00 0.37 C ATOM 433 O ARG A 25 77.640 -8.705 5.265 1.00 0.44 O ATOM 434 CB ARG A 25 74.681 -6.859 5.566 1.00 0.39 C ATOM 435 CG ARG A 25 73.397 -6.853 6.400 1.00 0.92 C ATOM 436 CD ARG A 25 72.897 -8.289 6.581 1.00 1.06 C ATOM 437 NE ARG A 25 71.547 -8.151 7.195 1.00 1.67 N ATOM 438 CZ ARG A 25 71.063 -9.113 7.932 1.00 2.12 C ATOM 439 NH1 ARG A 25 70.837 -10.287 7.406 1.00 2.42 N ATOM 440 NH2 ARG A 25 70.805 -8.901 9.194 1.00 2.86 N ATOM 0 H ARG A 25 75.409 -6.136 7.729 1.00 0.39 H new ATOM 0 HA ARG A 25 75.431 -8.705 6.393 1.00 0.38 H new ATOM 0 HB2 ARG A 25 75.028 -5.838 5.405 1.00 0.39 H new ATOM 0 HB3 ARG A 25 74.488 -7.289 4.583 1.00 0.39 H new ATOM 0 HG2 ARG A 25 73.585 -6.397 7.372 1.00 0.92 H new ATOM 0 HG3 ARG A 25 72.634 -6.251 5.907 1.00 0.92 H new ATOM 0 HD2 ARG A 25 72.845 -8.812 5.626 1.00 1.06 H new ATOM 0 HD3 ARG A 25 73.566 -8.862 7.223 1.00 1.06 H new ATOM 0 HE ARG A 25 71.000 -7.304 7.039 1.00 1.67 H new ATOM 0 HH11 ARG A 25 71.039 -10.451 6.420 1.00 2.42 H new ATOM 0 HH12 ARG A 25 70.459 -11.039 7.981 1.00 2.42 H new ATOM 0 HH21 ARG A 25 70.982 -7.984 9.604 1.00 2.86 H new ATOM 0 HH22 ARG A 25 70.427 -9.653 9.770 1.00 2.86 H new ATOM 454 N LEU A 26 77.599 -6.515 5.241 1.00 0.34 N ATOM 455 CA LEU A 26 78.904 -6.481 4.561 1.00 0.37 C ATOM 456 C LEU A 26 79.875 -7.311 5.388 1.00 0.41 C ATOM 457 O LEU A 26 80.710 -8.019 4.861 1.00 0.42 O ATOM 458 CB LEU A 26 79.300 -5.010 4.559 1.00 0.40 C ATOM 459 CG LEU A 26 78.670 -4.315 3.354 1.00 0.42 C ATOM 460 CD1 LEU A 26 79.090 -5.022 2.068 1.00 0.46 C ATOM 461 CD2 LEU A 26 77.148 -4.350 3.455 1.00 0.46 C ATOM 0 H LEU A 26 77.181 -5.606 5.441 1.00 0.34 H new ATOM 0 HA LEU A 26 78.892 -6.882 3.547 1.00 0.37 H new ATOM 0 HB2 LEU A 26 78.970 -4.532 5.481 1.00 0.40 H new ATOM 0 HB3 LEU A 26 80.385 -4.915 4.521 1.00 0.40 H new ATOM 0 HG LEU A 26 79.011 -3.280 3.340 1.00 0.42 H new ATOM 0 HD11 LEU A 26 78.637 -4.521 1.213 1.00 0.46 H new ATOM 0 HD12 LEU A 26 80.175 -4.991 1.974 1.00 0.46 H new ATOM 0 HD13 LEU A 26 78.758 -6.060 2.098 1.00 0.46 H new ATOM 0 HD21 LEU A 26 76.714 -3.851 2.589 1.00 0.46 H new ATOM 0 HD22 LEU A 26 76.809 -5.386 3.484 1.00 0.46 H new ATOM 0 HD23 LEU A 26 76.832 -3.839 4.364 1.00 0.46 H new ATOM 473 N GLU A 27 79.751 -7.245 6.692 1.00 0.46 N ATOM 474 CA GLU A 27 80.647 -8.054 7.556 1.00 0.54 C ATOM 475 C GLU A 27 80.848 -9.416 6.913 1.00 0.48 C ATOM 476 O GLU A 27 81.932 -9.959 6.918 1.00 0.50 O ATOM 477 CB GLU A 27 79.917 -8.206 8.891 1.00 0.65 C ATOM 478 CG GLU A 27 80.863 -7.840 10.038 1.00 0.98 C ATOM 479 CD GLU A 27 81.043 -9.050 10.957 1.00 1.45 C ATOM 480 OE1 GLU A 27 80.903 -10.162 10.475 1.00 1.92 O ATOM 481 OE2 GLU A 27 81.318 -8.844 12.128 1.00 2.21 O ATOM 0 H GLU A 27 79.071 -6.668 7.187 1.00 0.46 H new ATOM 0 HA GLU A 27 81.624 -7.590 7.692 1.00 0.54 H new ATOM 0 HB2 GLU A 27 79.038 -7.562 8.912 1.00 0.65 H new ATOM 0 HB3 GLU A 27 79.564 -9.231 9.010 1.00 0.65 H new ATOM 0 HG2 GLU A 27 81.828 -7.525 9.641 1.00 0.98 H new ATOM 0 HG3 GLU A 27 80.460 -6.999 10.602 1.00 0.98 H new ATOM 488 N GLU A 28 79.805 -9.976 6.355 1.00 0.43 N ATOM 489 CA GLU A 28 79.960 -11.309 5.711 1.00 0.40 C ATOM 490 C GLU A 28 79.488 -11.282 4.264 1.00 0.37 C ATOM 491 O GLU A 28 80.090 -11.872 3.389 1.00 0.37 O ATOM 492 CB GLU A 28 79.079 -12.234 6.518 1.00 0.45 C ATOM 493 CG GLU A 28 79.579 -13.663 6.327 1.00 0.45 C ATOM 494 CD GLU A 28 78.864 -14.597 7.304 1.00 0.52 C ATOM 495 OE1 GLU A 28 78.631 -14.182 8.427 1.00 1.24 O ATOM 496 OE2 GLU A 28 78.562 -15.713 6.912 1.00 1.14 O ATOM 0 H GLU A 28 78.868 -9.574 6.319 1.00 0.43 H new ATOM 0 HA GLU A 28 81.003 -11.624 5.694 1.00 0.40 H new ATOM 0 HB2 GLU A 28 79.107 -11.960 7.573 1.00 0.45 H new ATOM 0 HB3 GLU A 28 78.042 -12.149 6.194 1.00 0.45 H new ATOM 0 HG2 GLU A 28 79.399 -13.987 5.302 1.00 0.45 H new ATOM 0 HG3 GLU A 28 80.656 -13.706 6.490 1.00 0.45 H new ATOM 503 N LEU A 29 78.411 -10.610 4.007 1.00 0.37 N ATOM 504 CA LEU A 29 77.889 -10.548 2.618 1.00 0.37 C ATOM 505 C LEU A 29 78.964 -9.981 1.688 1.00 0.35 C ATOM 506 O LEU A 29 78.867 -10.053 0.479 1.00 0.37 O ATOM 507 CB LEU A 29 76.663 -9.641 2.729 1.00 0.41 C ATOM 508 CG LEU A 29 76.890 -8.311 2.005 1.00 0.38 C ATOM 509 CD1 LEU A 29 76.474 -8.448 0.541 1.00 0.46 C ATOM 510 CD2 LEU A 29 76.039 -7.233 2.676 1.00 0.44 C ATOM 0 H LEU A 29 77.865 -10.098 4.700 1.00 0.37 H new ATOM 0 HA LEU A 29 77.624 -11.518 2.197 1.00 0.37 H new ATOM 0 HB2 LEU A 29 75.795 -10.145 2.305 1.00 0.41 H new ATOM 0 HB3 LEU A 29 76.441 -9.453 3.779 1.00 0.41 H new ATOM 0 HG LEU A 29 77.944 -8.038 2.055 1.00 0.38 H new ATOM 0 HD11 LEU A 29 76.636 -7.501 0.027 1.00 0.46 H new ATOM 0 HD12 LEU A 29 77.070 -9.226 0.065 1.00 0.46 H new ATOM 0 HD13 LEU A 29 75.419 -8.715 0.486 1.00 0.46 H new ATOM 0 HD21 LEU A 29 76.192 -6.280 2.169 1.00 0.44 H new ATOM 0 HD22 LEU A 29 74.987 -7.511 2.616 1.00 0.44 H new ATOM 0 HD23 LEU A 29 76.330 -7.138 3.722 1.00 0.44 H new ATOM 522 N TYR A 30 79.996 -9.429 2.259 1.00 0.33 N ATOM 523 CA TYR A 30 81.106 -8.858 1.449 1.00 0.34 C ATOM 524 C TYR A 30 82.374 -8.824 2.307 1.00 0.38 C ATOM 525 O TYR A 30 83.318 -8.115 2.024 1.00 0.47 O ATOM 526 CB TYR A 30 80.660 -7.440 1.132 1.00 0.39 C ATOM 527 CG TYR A 30 80.169 -7.329 -0.299 1.00 0.38 C ATOM 528 CD1 TYR A 30 80.744 -8.109 -1.309 1.00 1.15 C ATOM 529 CD2 TYR A 30 79.149 -6.421 -0.619 1.00 1.26 C ATOM 530 CE1 TYR A 30 80.302 -7.980 -2.630 1.00 1.15 C ATOM 531 CE2 TYR A 30 78.710 -6.293 -1.940 1.00 1.34 C ATOM 532 CZ TYR A 30 79.289 -7.073 -2.946 1.00 0.62 C ATOM 533 OH TYR A 30 78.863 -6.948 -4.252 1.00 0.79 O ATOM 0 H TYR A 30 80.119 -9.348 3.268 1.00 0.33 H new ATOM 0 HA TYR A 30 81.319 -9.433 0.548 1.00 0.34 H new ATOM 0 HB2 TYR A 30 79.865 -7.144 1.816 1.00 0.39 H new ATOM 0 HB3 TYR A 30 81.490 -6.751 1.290 1.00 0.39 H new ATOM 0 HD1 TYR A 30 81.529 -8.811 -1.068 1.00 1.15 H new ATOM 0 HD2 TYR A 30 78.701 -5.819 0.158 1.00 1.26 H new ATOM 0 HE1 TYR A 30 80.746 -8.584 -3.408 1.00 1.15 H new ATOM 0 HE2 TYR A 30 77.925 -5.593 -2.183 1.00 1.34 H new ATOM 0 HH TYR A 30 78.974 -7.804 -4.716 1.00 0.79 H new ATOM 543 N ARG A 31 82.373 -9.574 3.372 1.00 0.38 N ATOM 544 CA ARG A 31 83.545 -9.601 4.300 1.00 0.47 C ATOM 545 C ARG A 31 84.863 -9.439 3.550 1.00 0.61 C ATOM 546 O ARG A 31 85.462 -8.383 3.542 1.00 0.75 O ATOM 547 CB ARG A 31 83.485 -10.974 4.966 1.00 0.46 C ATOM 548 CG ARG A 31 84.632 -11.108 5.969 1.00 0.62 C ATOM 549 CD ARG A 31 84.745 -12.566 6.420 1.00 1.11 C ATOM 550 NE ARG A 31 86.208 -12.840 6.469 1.00 1.53 N ATOM 551 CZ ARG A 31 86.643 -13.973 6.948 1.00 2.09 C ATOM 552 NH1 ARG A 31 86.019 -14.544 7.941 1.00 2.73 N ATOM 553 NH2 ARG A 31 87.703 -14.535 6.433 1.00 2.68 N ATOM 0 H ARG A 31 81.600 -10.180 3.646 1.00 0.38 H new ATOM 0 HA ARG A 31 83.502 -8.781 5.016 1.00 0.47 H new ATOM 0 HB2 ARG A 31 82.528 -11.102 5.473 1.00 0.46 H new ATOM 0 HB3 ARG A 31 83.554 -11.758 4.212 1.00 0.46 H new ATOM 0 HG2 ARG A 31 85.568 -10.783 5.514 1.00 0.62 H new ATOM 0 HG3 ARG A 31 84.455 -10.462 6.829 1.00 0.62 H new ATOM 0 HD2 ARG A 31 84.282 -12.715 7.396 1.00 1.11 H new ATOM 0 HD3 ARG A 31 84.241 -13.235 5.723 1.00 1.11 H new ATOM 0 HE ARG A 31 86.870 -12.142 6.128 1.00 1.53 H new ATOM 0 HH11 ARG A 31 85.191 -14.105 8.343 1.00 2.73 H new ATOM 0 HH12 ARG A 31 86.359 -15.430 8.315 1.00 2.73 H new ATOM 0 HH21 ARG A 31 88.191 -14.088 5.656 1.00 2.68 H new ATOM 0 HH22 ARG A 31 88.043 -15.421 6.807 1.00 2.68 H new ATOM 567 N GLY A 32 85.317 -10.478 2.916 1.00 0.67 N ATOM 568 CA GLY A 32 86.595 -10.382 2.161 1.00 0.87 C ATOM 569 C GLY A 32 86.346 -9.557 0.909 1.00 0.80 C ATOM 570 O GLY A 32 87.150 -9.518 -0.001 1.00 0.89 O ATOM 0 H GLY A 32 84.861 -11.390 2.887 1.00 0.67 H new ATOM 0 HA2 GLY A 32 87.366 -9.917 2.776 1.00 0.87 H new ATOM 0 HA3 GLY A 32 86.956 -11.376 1.896 1.00 0.87 H new ATOM 574 N ARG A 33 85.218 -8.910 0.856 1.00 0.67 N ATOM 575 CA ARG A 33 84.876 -8.097 -0.328 1.00 0.67 C ATOM 576 C ARG A 33 84.672 -6.637 0.076 1.00 0.73 C ATOM 577 O ARG A 33 84.144 -5.842 -0.675 1.00 0.79 O ATOM 578 CB ARG A 33 83.571 -8.713 -0.800 1.00 0.59 C ATOM 579 CG ARG A 33 83.872 -9.878 -1.745 1.00 0.90 C ATOM 580 CD ARG A 33 82.934 -9.822 -2.953 1.00 0.90 C ATOM 581 NE ARG A 33 83.231 -11.064 -3.722 1.00 1.36 N ATOM 582 CZ ARG A 33 82.291 -11.641 -4.418 1.00 1.60 C ATOM 583 NH1 ARG A 33 81.206 -12.059 -3.826 1.00 2.22 N ATOM 584 NH2 ARG A 33 82.438 -11.803 -5.705 1.00 2.08 N ATOM 0 H ARG A 33 84.514 -8.913 1.594 1.00 0.67 H new ATOM 0 HA ARG A 33 85.650 -8.096 -1.096 1.00 0.67 H new ATOM 0 HB2 ARG A 33 82.992 -9.063 0.054 1.00 0.59 H new ATOM 0 HB3 ARG A 33 82.966 -7.964 -1.310 1.00 0.59 H new ATOM 0 HG2 ARG A 33 84.909 -9.831 -2.076 1.00 0.90 H new ATOM 0 HG3 ARG A 33 83.748 -10.825 -1.220 1.00 0.90 H new ATOM 0 HD2 ARG A 33 81.890 -9.789 -2.642 1.00 0.90 H new ATOM 0 HD3 ARG A 33 83.116 -8.931 -3.554 1.00 0.90 H new ATOM 0 HE ARG A 33 84.170 -11.463 -3.704 1.00 1.36 H new ATOM 0 HH11 ARG A 33 81.094 -11.934 -2.820 1.00 2.22 H new ATOM 0 HH12 ARG A 33 80.470 -12.510 -4.369 1.00 2.22 H new ATOM 0 HH21 ARG A 33 83.288 -11.478 -6.166 1.00 2.08 H new ATOM 0 HH22 ARG A 33 81.703 -12.254 -6.249 1.00 2.08 H new ATOM 598 N GLU A 34 85.084 -6.280 1.260 1.00 0.88 N ATOM 599 CA GLU A 34 84.912 -4.873 1.717 1.00 1.07 C ATOM 600 C GLU A 34 85.293 -3.901 0.598 1.00 1.16 C ATOM 601 O GLU A 34 84.824 -2.781 0.550 1.00 1.34 O ATOM 602 CB GLU A 34 85.863 -4.724 2.904 1.00 1.27 C ATOM 603 CG GLU A 34 85.102 -4.160 4.104 1.00 1.52 C ATOM 604 CD GLU A 34 85.938 -4.350 5.371 1.00 1.91 C ATOM 605 OE1 GLU A 34 86.544 -5.400 5.505 1.00 2.35 O ATOM 606 OE2 GLU A 34 85.961 -3.441 6.184 1.00 2.41 O ATOM 0 H GLU A 34 85.533 -6.902 1.932 1.00 0.88 H new ATOM 0 HA GLU A 34 83.880 -4.651 1.990 1.00 1.07 H new ATOM 0 HB2 GLU A 34 86.298 -5.691 3.158 1.00 1.27 H new ATOM 0 HB3 GLU A 34 86.688 -4.063 2.641 1.00 1.27 H new ATOM 0 HG2 GLU A 34 84.891 -3.102 3.950 1.00 1.52 H new ATOM 0 HG3 GLU A 34 84.142 -4.665 4.210 1.00 1.52 H new ATOM 613 N ALA A 35 86.140 -4.317 -0.303 1.00 1.13 N ATOM 614 CA ALA A 35 86.544 -3.409 -1.414 1.00 1.24 C ATOM 615 C ALA A 35 85.896 -3.856 -2.724 1.00 1.01 C ATOM 616 O ALA A 35 86.155 -3.307 -3.776 1.00 1.26 O ATOM 617 CB ALA A 35 88.066 -3.526 -1.499 1.00 1.58 C ATOM 0 H ALA A 35 86.568 -5.243 -0.318 1.00 1.13 H new ATOM 0 HA ALA A 35 86.228 -2.381 -1.238 1.00 1.24 H new ATOM 0 HB1 ALA A 35 88.436 -2.883 -2.298 1.00 1.58 H new ATOM 0 HB2 ALA A 35 88.508 -3.218 -0.551 1.00 1.58 H new ATOM 0 HB3 ALA A 35 88.340 -4.560 -1.709 1.00 1.58 H new ATOM 623 N ASP A 36 85.049 -4.843 -2.668 1.00 0.87 N ATOM 624 CA ASP A 36 84.378 -5.317 -3.910 1.00 0.86 C ATOM 625 C ASP A 36 83.003 -4.663 -4.038 1.00 0.88 C ATOM 626 O ASP A 36 82.307 -4.842 -5.018 1.00 1.14 O ATOM 627 CB ASP A 36 84.234 -6.828 -3.732 1.00 0.91 C ATOM 628 CG ASP A 36 85.034 -7.549 -4.818 1.00 1.20 C ATOM 629 OD1 ASP A 36 86.245 -7.615 -4.690 1.00 1.66 O ATOM 630 OD2 ASP A 36 84.422 -8.022 -5.762 1.00 1.72 O ATOM 0 H ASP A 36 84.792 -5.343 -1.817 1.00 0.87 H new ATOM 0 HA ASP A 36 84.941 -5.066 -4.809 1.00 0.86 H new ATOM 0 HB2 ASP A 36 84.591 -7.124 -2.746 1.00 0.91 H new ATOM 0 HB3 ASP A 36 83.184 -7.113 -3.790 1.00 0.91 H new ATOM 635 N MET A 37 82.597 -3.923 -3.044 1.00 0.88 N ATOM 636 CA MET A 37 81.261 -3.278 -3.096 1.00 1.17 C ATOM 637 C MET A 37 81.337 -1.829 -2.619 1.00 0.83 C ATOM 638 O MET A 37 81.874 -1.534 -1.571 1.00 1.48 O ATOM 639 CB MET A 37 80.418 -4.139 -2.165 1.00 2.03 C ATOM 640 CG MET A 37 79.417 -3.275 -1.389 1.00 2.90 C ATOM 641 SD MET A 37 80.206 -2.579 0.086 1.00 4.13 S ATOM 642 CE MET A 37 81.213 -4.015 0.525 1.00 5.07 C ATOM 0 H MET A 37 83.136 -3.738 -2.198 1.00 0.88 H new ATOM 0 HA MET A 37 80.845 -3.224 -4.102 1.00 1.17 H new ATOM 0 HB2 MET A 37 79.884 -4.893 -2.743 1.00 2.03 H new ATOM 0 HB3 MET A 37 81.065 -4.671 -1.467 1.00 2.03 H new ATOM 0 HG2 MET A 37 79.048 -2.472 -2.026 1.00 2.90 H new ATOM 0 HG3 MET A 37 78.554 -3.875 -1.100 1.00 2.90 H new ATOM 0 HE1 MET A 37 81.385 -4.023 1.601 1.00 5.07 H new ATOM 0 HE2 MET A 37 80.692 -4.927 0.234 1.00 5.07 H new ATOM 0 HE3 MET A 37 82.169 -3.961 0.005 1.00 5.07 H new ATOM 652 N PRO A 38 80.803 -0.973 -3.439 1.00 0.59 N ATOM 653 CA PRO A 38 80.786 0.471 -3.169 1.00 0.88 C ATOM 654 C PRO A 38 79.435 0.934 -2.608 1.00 0.62 C ATOM 655 O PRO A 38 78.438 0.247 -2.701 1.00 1.33 O ATOM 656 CB PRO A 38 80.979 1.044 -4.568 1.00 1.61 C ATOM 657 CG PRO A 38 80.477 -0.016 -5.521 1.00 1.84 C ATOM 658 CD PRO A 38 80.178 -1.256 -4.720 1.00 1.34 C ATOM 0 HA PRO A 38 81.529 0.776 -2.432 1.00 0.88 H new ATOM 0 HB2 PRO A 38 80.423 1.974 -4.690 1.00 1.61 H new ATOM 0 HB3 PRO A 38 82.028 1.273 -4.755 1.00 1.61 H new ATOM 0 HG2 PRO A 38 79.582 0.329 -6.038 1.00 1.84 H new ATOM 0 HG3 PRO A 38 81.225 -0.227 -6.285 1.00 1.84 H new ATOM 0 HD2 PRO A 38 79.106 -1.423 -4.618 1.00 1.34 H new ATOM 0 HD3 PRO A 38 80.596 -2.148 -5.185 1.00 1.34 H new ATOM 666 N ASP A 39 79.400 2.125 -2.076 1.00 0.81 N ATOM 667 CA ASP A 39 78.121 2.698 -1.555 1.00 0.53 C ATOM 668 C ASP A 39 77.737 3.831 -2.489 1.00 0.44 C ATOM 669 O ASP A 39 77.534 4.957 -2.078 1.00 0.71 O ATOM 670 CB ASP A 39 78.423 3.253 -0.156 1.00 0.79 C ATOM 671 CG ASP A 39 79.905 3.057 0.177 1.00 1.76 C ATOM 672 OD1 ASP A 39 80.382 1.942 0.038 1.00 2.26 O ATOM 673 OD2 ASP A 39 80.537 4.025 0.566 1.00 2.55 O ATOM 0 H ASP A 39 80.212 2.735 -1.978 1.00 0.81 H new ATOM 0 HA ASP A 39 77.315 1.967 -1.502 1.00 0.53 H new ATOM 0 HB2 ASP A 39 78.169 4.312 -0.113 1.00 0.79 H new ATOM 0 HB3 ASP A 39 77.805 2.747 0.586 1.00 0.79 H new ATOM 678 N GLU A 40 77.703 3.550 -3.756 1.00 0.37 N ATOM 679 CA GLU A 40 77.411 4.605 -4.740 1.00 0.41 C ATOM 680 C GLU A 40 76.711 4.019 -5.967 1.00 0.51 C ATOM 681 O GLU A 40 77.178 4.152 -7.081 1.00 0.70 O ATOM 682 CB GLU A 40 78.802 5.100 -5.106 1.00 0.45 C ATOM 683 CG GLU A 40 79.422 5.832 -3.910 1.00 0.57 C ATOM 684 CD GLU A 40 80.696 6.552 -4.357 1.00 0.92 C ATOM 685 OE1 GLU A 40 80.601 7.389 -5.240 1.00 1.52 O ATOM 686 OE2 GLU A 40 81.745 6.255 -3.809 1.00 1.44 O ATOM 0 H GLU A 40 77.867 2.624 -4.150 1.00 0.37 H new ATOM 0 HA GLU A 40 76.751 5.386 -4.363 1.00 0.41 H new ATOM 0 HB2 GLU A 40 79.432 4.260 -5.397 1.00 0.45 H new ATOM 0 HB3 GLU A 40 78.746 5.769 -5.965 1.00 0.45 H new ATOM 0 HG2 GLU A 40 78.711 6.549 -3.501 1.00 0.57 H new ATOM 0 HG3 GLU A 40 79.652 5.122 -3.115 1.00 0.57 H new ATOM 693 N VAL A 41 75.598 3.374 -5.775 1.00 0.54 N ATOM 694 CA VAL A 41 74.877 2.785 -6.939 1.00 0.69 C ATOM 695 C VAL A 41 73.455 3.332 -7.007 1.00 0.63 C ATOM 696 O VAL A 41 73.120 4.299 -6.352 1.00 0.84 O ATOM 697 CB VAL A 41 74.861 1.269 -6.702 1.00 0.81 C ATOM 698 CG1 VAL A 41 75.639 0.573 -7.819 1.00 1.13 C ATOM 699 CG2 VAL A 41 75.509 0.937 -5.353 1.00 1.27 C ATOM 0 H VAL A 41 75.156 3.228 -4.868 1.00 0.54 H new ATOM 0 HA VAL A 41 75.363 3.033 -7.882 1.00 0.69 H new ATOM 0 HB VAL A 41 73.828 0.922 -6.696 1.00 0.81 H new ATOM 0 HG11 VAL A 41 75.629 -0.504 -7.653 1.00 1.13 H new ATOM 0 HG12 VAL A 41 75.175 0.796 -8.780 1.00 1.13 H new ATOM 0 HG13 VAL A 41 76.669 0.930 -7.822 1.00 1.13 H new ATOM 0 HG21 VAL A 41 75.491 -0.142 -5.197 1.00 1.27 H new ATOM 0 HG22 VAL A 41 76.541 1.288 -5.349 1.00 1.27 H new ATOM 0 HG23 VAL A 41 74.956 1.429 -4.553 1.00 1.27 H new ATOM 709 N ASN A 42 72.616 2.726 -7.796 1.00 0.55 N ATOM 710 CA ASN A 42 71.220 3.226 -7.897 1.00 0.51 C ATOM 711 C ASN A 42 70.526 3.095 -6.543 1.00 0.42 C ATOM 712 O ASN A 42 69.557 3.776 -6.275 1.00 0.43 O ATOM 713 CB ASN A 42 70.531 2.346 -8.939 1.00 0.58 C ATOM 714 CG ASN A 42 71.503 2.028 -10.078 1.00 0.70 C ATOM 715 OD1 ASN A 42 71.947 0.905 -10.216 1.00 0.92 O ATOM 716 ND2 ASN A 42 71.855 2.974 -10.905 1.00 1.35 N ATOM 0 H ASN A 42 72.834 1.912 -8.371 1.00 0.55 H new ATOM 0 HA ASN A 42 71.184 4.277 -8.184 1.00 0.51 H new ATOM 0 HB2 ASN A 42 70.185 1.422 -8.476 1.00 0.58 H new ATOM 0 HB3 ASN A 42 69.651 2.854 -9.332 1.00 0.58 H new ATOM 0 HD21 ASN A 42 72.502 2.771 -11.667 1.00 1.35 H new ATOM 0 HD22 ASN A 42 71.483 3.917 -10.790 1.00 1.35 H new ATOM 723 N ILE A 43 71.011 2.226 -5.684 1.00 0.45 N ATOM 724 CA ILE A 43 70.361 2.075 -4.344 1.00 0.46 C ATOM 725 C ILE A 43 69.801 3.426 -3.921 1.00 0.46 C ATOM 726 O ILE A 43 68.739 3.527 -3.350 1.00 0.52 O ATOM 727 CB ILE A 43 71.444 1.641 -3.341 1.00 0.55 C ATOM 728 CG1 ILE A 43 72.753 1.308 -4.058 1.00 0.99 C ATOM 729 CG2 ILE A 43 70.961 0.414 -2.565 1.00 0.94 C ATOM 730 CD1 ILE A 43 72.664 -0.082 -4.690 1.00 1.54 C ATOM 0 H ILE A 43 71.817 1.624 -5.851 1.00 0.45 H new ATOM 0 HA ILE A 43 69.558 1.339 -4.380 1.00 0.46 H new ATOM 0 HB ILE A 43 71.627 2.467 -2.654 1.00 0.55 H new ATOM 0 HG12 ILE A 43 72.956 2.054 -4.827 1.00 0.99 H new ATOM 0 HG13 ILE A 43 73.583 1.343 -3.352 1.00 0.99 H new ATOM 0 HG21 ILE A 43 71.729 0.107 -1.855 1.00 0.94 H new ATOM 0 HG22 ILE A 43 70.046 0.661 -2.026 1.00 0.94 H new ATOM 0 HG23 ILE A 43 70.763 -0.402 -3.260 1.00 0.94 H new ATOM 0 HD11 ILE A 43 73.600 -0.311 -5.199 1.00 1.54 H new ATOM 0 HD12 ILE A 43 72.482 -0.824 -3.913 1.00 1.54 H new ATOM 0 HD13 ILE A 43 71.846 -0.103 -5.410 1.00 1.54 H new ATOM 742 N ASP A 44 70.529 4.465 -4.214 1.00 0.48 N ATOM 743 CA ASP A 44 70.085 5.835 -3.847 1.00 0.57 C ATOM 744 C ASP A 44 68.933 6.297 -4.739 1.00 0.57 C ATOM 745 O ASP A 44 67.875 6.654 -4.260 1.00 0.64 O ATOM 746 CB ASP A 44 71.326 6.700 -4.072 1.00 0.66 C ATOM 747 CG ASP A 44 71.330 7.857 -3.073 1.00 0.95 C ATOM 748 OD1 ASP A 44 70.463 8.706 -3.181 1.00 1.55 O ATOM 749 OD2 ASP A 44 72.199 7.872 -2.218 1.00 1.49 O ATOM 0 H ASP A 44 71.425 4.422 -4.699 1.00 0.48 H new ATOM 0 HA ASP A 44 69.712 5.891 -2.824 1.00 0.57 H new ATOM 0 HB2 ASP A 44 72.228 6.099 -3.952 1.00 0.66 H new ATOM 0 HB3 ASP A 44 71.333 7.086 -5.091 1.00 0.66 H new ATOM 754 N GLU A 45 69.119 6.294 -6.027 1.00 0.55 N ATOM 755 CA GLU A 45 68.013 6.737 -6.922 1.00 0.58 C ATOM 756 C GLU A 45 66.892 5.716 -6.864 1.00 0.49 C ATOM 757 O GLU A 45 65.752 6.048 -6.607 1.00 0.55 O ATOM 758 CB GLU A 45 68.618 6.810 -8.324 1.00 0.63 C ATOM 759 CG GLU A 45 68.791 8.274 -8.731 1.00 1.27 C ATOM 760 CD GLU A 45 69.100 8.355 -10.226 1.00 1.58 C ATOM 761 OE1 GLU A 45 69.527 7.354 -10.778 1.00 2.21 O ATOM 762 OE2 GLU A 45 68.905 9.416 -10.795 1.00 2.10 O ATOM 0 H GLU A 45 69.978 6.008 -6.497 1.00 0.55 H new ATOM 0 HA GLU A 45 67.596 7.701 -6.631 1.00 0.58 H new ATOM 0 HB2 GLU A 45 69.581 6.300 -8.343 1.00 0.63 H new ATOM 0 HB3 GLU A 45 67.972 6.297 -9.037 1.00 0.63 H new ATOM 0 HG2 GLU A 45 67.884 8.835 -8.506 1.00 1.27 H new ATOM 0 HG3 GLU A 45 69.598 8.729 -8.157 1.00 1.27 H new ATOM 769 N LEU A 46 67.201 4.472 -7.061 1.00 0.40 N ATOM 770 CA LEU A 46 66.140 3.452 -6.967 1.00 0.38 C ATOM 771 C LEU A 46 65.419 3.671 -5.644 1.00 0.46 C ATOM 772 O LEU A 46 64.232 3.453 -5.517 1.00 0.52 O ATOM 773 CB LEU A 46 66.882 2.125 -6.997 1.00 0.42 C ATOM 774 CG LEU A 46 67.196 1.766 -8.449 1.00 0.53 C ATOM 775 CD1 LEU A 46 67.774 0.357 -8.510 1.00 0.80 C ATOM 776 CD2 LEU A 46 65.912 1.828 -9.280 1.00 1.03 C ATOM 0 H LEU A 46 68.134 4.122 -7.281 1.00 0.40 H new ATOM 0 HA LEU A 46 65.396 3.490 -7.763 1.00 0.38 H new ATOM 0 HB2 LEU A 46 67.803 2.195 -6.418 1.00 0.42 H new ATOM 0 HB3 LEU A 46 66.276 1.344 -6.538 1.00 0.42 H new ATOM 0 HG LEU A 46 67.922 2.474 -8.850 1.00 0.53 H new ATOM 0 HD11 LEU A 46 67.998 0.100 -9.545 1.00 0.80 H new ATOM 0 HD12 LEU A 46 68.689 0.313 -7.919 1.00 0.80 H new ATOM 0 HD13 LEU A 46 67.049 -0.351 -8.109 1.00 0.80 H new ATOM 0 HD21 LEU A 46 66.136 1.572 -10.316 1.00 1.03 H new ATOM 0 HD22 LEU A 46 65.185 1.121 -8.880 1.00 1.03 H new ATOM 0 HD23 LEU A 46 65.499 2.836 -9.237 1.00 1.03 H new ATOM 788 N LEU A 47 66.135 4.151 -4.664 1.00 0.52 N ATOM 789 CA LEU A 47 65.496 4.445 -3.358 1.00 0.66 C ATOM 790 C LEU A 47 64.489 5.577 -3.564 1.00 0.70 C ATOM 791 O LEU A 47 63.451 5.624 -2.933 1.00 0.79 O ATOM 792 CB LEU A 47 66.633 4.892 -2.432 1.00 0.75 C ATOM 793 CG LEU A 47 66.665 3.997 -1.188 1.00 1.04 C ATOM 794 CD1 LEU A 47 65.239 3.769 -0.681 1.00 1.70 C ATOM 795 CD2 LEU A 47 67.296 2.649 -1.543 1.00 1.48 C ATOM 0 H LEU A 47 67.134 4.351 -4.715 1.00 0.52 H new ATOM 0 HA LEU A 47 64.969 3.589 -2.936 1.00 0.66 H new ATOM 0 HB2 LEU A 47 67.587 4.836 -2.957 1.00 0.75 H new ATOM 0 HB3 LEU A 47 66.490 5.932 -2.140 1.00 0.75 H new ATOM 0 HG LEU A 47 67.254 4.484 -0.411 1.00 1.04 H new ATOM 0 HD11 LEU A 47 65.265 3.132 0.203 1.00 1.70 H new ATOM 0 HD12 LEU A 47 64.786 4.727 -0.425 1.00 1.70 H new ATOM 0 HD13 LEU A 47 64.649 3.285 -1.459 1.00 1.70 H new ATOM 0 HD21 LEU A 47 67.318 2.013 -0.658 1.00 1.48 H new ATOM 0 HD22 LEU A 47 66.707 2.165 -2.322 1.00 1.48 H new ATOM 0 HD23 LEU A 47 68.313 2.807 -1.902 1.00 1.48 H new ATOM 807 N GLU A 48 64.789 6.493 -4.455 1.00 0.67 N ATOM 808 CA GLU A 48 63.855 7.614 -4.711 1.00 0.77 C ATOM 809 C GLU A 48 62.841 7.231 -5.796 1.00 0.66 C ATOM 810 O GLU A 48 62.161 8.074 -6.346 1.00 0.73 O ATOM 811 CB GLU A 48 64.742 8.765 -5.187 1.00 0.90 C ATOM 812 CG GLU A 48 64.461 10.011 -4.345 1.00 1.19 C ATOM 813 CD GLU A 48 65.090 11.234 -5.016 1.00 1.70 C ATOM 814 OE1 GLU A 48 64.687 11.549 -6.124 1.00 2.13 O ATOM 815 OE2 GLU A 48 65.963 11.834 -4.412 1.00 2.35 O ATOM 0 H GLU A 48 65.643 6.505 -5.012 1.00 0.67 H new ATOM 0 HA GLU A 48 63.279 7.880 -3.824 1.00 0.77 H new ATOM 0 HB2 GLU A 48 65.793 8.487 -5.103 1.00 0.90 H new ATOM 0 HB3 GLU A 48 64.550 8.974 -6.239 1.00 0.90 H new ATOM 0 HG2 GLU A 48 63.386 10.155 -4.237 1.00 1.19 H new ATOM 0 HG3 GLU A 48 64.868 9.884 -3.342 1.00 1.19 H new ATOM 822 N LEU A 49 62.734 5.966 -6.115 1.00 0.56 N ATOM 823 CA LEU A 49 61.764 5.544 -7.170 1.00 0.51 C ATOM 824 C LEU A 49 60.360 5.399 -6.581 1.00 0.53 C ATOM 825 O LEU A 49 60.191 5.140 -5.406 1.00 0.60 O ATOM 826 CB LEU A 49 62.266 4.187 -7.670 1.00 0.48 C ATOM 827 CG LEU A 49 62.730 4.317 -9.119 1.00 0.50 C ATOM 828 CD1 LEU A 49 63.910 5.289 -9.192 1.00 0.54 C ATOM 829 CD2 LEU A 49 63.168 2.945 -9.637 1.00 0.59 C ATOM 0 H LEU A 49 63.274 5.210 -5.693 1.00 0.56 H new ATOM 0 HA LEU A 49 61.702 6.278 -7.973 1.00 0.51 H new ATOM 0 HB2 LEU A 49 63.087 3.838 -7.044 1.00 0.48 H new ATOM 0 HB3 LEU A 49 61.472 3.444 -7.597 1.00 0.48 H new ATOM 0 HG LEU A 49 61.911 4.694 -9.731 1.00 0.50 H new ATOM 0 HD11 LEU A 49 64.241 5.382 -10.226 1.00 0.54 H new ATOM 0 HD12 LEU A 49 63.600 6.266 -8.821 1.00 0.54 H new ATOM 0 HD13 LEU A 49 64.730 4.912 -8.581 1.00 0.54 H new ATOM 0 HD21 LEU A 49 63.500 3.036 -10.671 1.00 0.59 H new ATOM 0 HD22 LEU A 49 63.988 2.570 -9.025 1.00 0.59 H new ATOM 0 HD23 LEU A 49 62.329 2.251 -9.584 1.00 0.59 H new ATOM 841 N GLU A 50 59.351 5.555 -7.393 1.00 0.58 N ATOM 842 CA GLU A 50 57.958 5.416 -6.885 1.00 0.65 C ATOM 843 C GLU A 50 57.548 3.941 -6.897 1.00 0.63 C ATOM 844 O GLU A 50 56.508 3.570 -6.392 1.00 0.70 O ATOM 845 CB GLU A 50 57.098 6.220 -7.860 1.00 0.75 C ATOM 846 CG GLU A 50 56.149 7.129 -7.076 1.00 1.13 C ATOM 847 CD GLU A 50 55.656 8.256 -7.986 1.00 1.46 C ATOM 848 OE1 GLU A 50 55.128 7.949 -9.042 1.00 2.15 O ATOM 849 OE2 GLU A 50 55.814 9.406 -7.610 1.00 1.86 O ATOM 0 H GLU A 50 59.431 5.773 -8.386 1.00 0.58 H new ATOM 0 HA GLU A 50 57.849 5.773 -5.861 1.00 0.65 H new ATOM 0 HB2 GLU A 50 57.733 6.818 -8.514 1.00 0.75 H new ATOM 0 HB3 GLU A 50 56.528 5.546 -8.499 1.00 0.75 H new ATOM 0 HG2 GLU A 50 55.303 6.553 -6.701 1.00 1.13 H new ATOM 0 HG3 GLU A 50 56.661 7.545 -6.208 1.00 1.13 H new ATOM 856 N SER A 51 58.363 3.098 -7.472 1.00 0.56 N ATOM 857 CA SER A 51 58.026 1.647 -7.517 1.00 0.57 C ATOM 858 C SER A 51 58.046 1.057 -6.105 1.00 0.56 C ATOM 859 O SER A 51 57.871 1.756 -5.127 1.00 0.55 O ATOM 860 CB SER A 51 59.120 1.017 -8.377 1.00 0.57 C ATOM 861 OG SER A 51 60.191 0.599 -7.541 1.00 1.54 O ATOM 0 H SER A 51 59.247 3.352 -7.912 1.00 0.56 H new ATOM 0 HA SER A 51 57.031 1.464 -7.923 1.00 0.57 H new ATOM 0 HB2 SER A 51 58.720 0.166 -8.929 1.00 0.57 H new ATOM 0 HB3 SER A 51 59.478 1.735 -9.115 1.00 0.57 H new ATOM 0 HG SER A 51 61.013 1.064 -7.805 1.00 1.54 H new ATOM 867 N GLU A 52 58.262 -0.224 -5.991 1.00 0.60 N ATOM 868 CA GLU A 52 58.298 -0.858 -4.642 1.00 0.63 C ATOM 869 C GLU A 52 59.529 -1.760 -4.519 1.00 0.60 C ATOM 870 O GLU A 52 60.240 -1.726 -3.535 1.00 0.57 O ATOM 871 CB GLU A 52 57.015 -1.686 -4.558 1.00 0.73 C ATOM 872 CG GLU A 52 56.345 -1.451 -3.202 1.00 1.38 C ATOM 873 CD GLU A 52 55.131 -2.371 -3.064 1.00 1.66 C ATOM 874 OE1 GLU A 52 55.291 -3.565 -3.260 1.00 2.21 O ATOM 875 OE2 GLU A 52 54.061 -1.866 -2.766 1.00 2.18 O ATOM 0 H GLU A 52 58.415 -0.860 -6.774 1.00 0.60 H new ATOM 0 HA GLU A 52 58.360 -0.123 -3.840 1.00 0.63 H new ATOM 0 HB2 GLU A 52 56.336 -1.408 -5.364 1.00 0.73 H new ATOM 0 HB3 GLU A 52 57.243 -2.744 -4.684 1.00 0.73 H new ATOM 0 HG2 GLU A 52 57.054 -1.644 -2.397 1.00 1.38 H new ATOM 0 HG3 GLU A 52 56.037 -0.409 -3.113 1.00 1.38 H new ATOM 882 N GLU A 53 59.786 -2.564 -5.514 1.00 0.62 N ATOM 883 CA GLU A 53 60.973 -3.465 -5.457 1.00 0.61 C ATOM 884 C GLU A 53 61.834 -3.285 -6.704 1.00 0.55 C ATOM 885 O GLU A 53 62.938 -3.785 -6.778 1.00 0.57 O ATOM 886 CB GLU A 53 60.399 -4.881 -5.395 1.00 0.69 C ATOM 887 CG GLU A 53 61.252 -5.738 -4.458 1.00 1.08 C ATOM 888 CD GLU A 53 60.994 -7.219 -4.742 1.00 1.34 C ATOM 889 OE1 GLU A 53 61.657 -7.760 -5.611 1.00 2.10 O ATOM 890 OE2 GLU A 53 60.135 -7.786 -4.086 1.00 1.73 O ATOM 0 H GLU A 53 59.226 -2.636 -6.364 1.00 0.62 H new ATOM 0 HA GLU A 53 61.612 -3.251 -4.600 1.00 0.61 H new ATOM 0 HB2 GLU A 53 59.369 -4.852 -5.041 1.00 0.69 H new ATOM 0 HB3 GLU A 53 60.381 -5.321 -6.392 1.00 0.69 H new ATOM 0 HG2 GLU A 53 62.308 -5.509 -4.599 1.00 1.08 H new ATOM 0 HG3 GLU A 53 61.012 -5.509 -3.420 1.00 1.08 H new ATOM 897 N GLU A 54 61.362 -2.556 -7.678 1.00 0.53 N ATOM 898 CA GLU A 54 62.200 -2.347 -8.887 1.00 0.53 C ATOM 899 C GLU A 54 63.475 -1.652 -8.446 1.00 0.48 C ATOM 900 O GLU A 54 64.527 -1.809 -9.034 1.00 0.48 O ATOM 901 CB GLU A 54 61.374 -1.458 -9.819 1.00 0.60 C ATOM 902 CG GLU A 54 61.955 -1.522 -11.233 1.00 0.70 C ATOM 903 CD GLU A 54 61.121 -0.646 -12.169 1.00 1.13 C ATOM 904 OE1 GLU A 54 60.619 0.367 -11.710 1.00 1.75 O ATOM 905 OE2 GLU A 54 60.999 -1.002 -13.330 1.00 1.82 O ATOM 0 H GLU A 54 60.448 -2.104 -7.689 1.00 0.53 H new ATOM 0 HA GLU A 54 62.471 -3.272 -9.397 1.00 0.53 H new ATOM 0 HB2 GLU A 54 60.335 -1.787 -9.826 1.00 0.60 H new ATOM 0 HB3 GLU A 54 61.380 -0.430 -9.458 1.00 0.60 H new ATOM 0 HG2 GLU A 54 62.991 -1.183 -11.227 1.00 0.70 H new ATOM 0 HG3 GLU A 54 61.959 -2.552 -11.589 1.00 0.70 H new ATOM 912 N ARG A 55 63.391 -0.921 -7.373 1.00 0.47 N ATOM 913 CA ARG A 55 64.598 -0.256 -6.845 1.00 0.48 C ATOM 914 C ARG A 55 65.545 -1.357 -6.396 1.00 0.44 C ATOM 915 O ARG A 55 66.725 -1.329 -6.661 1.00 0.45 O ATOM 916 CB ARG A 55 64.115 0.582 -5.659 1.00 0.52 C ATOM 917 CG ARG A 55 63.808 -0.336 -4.478 1.00 0.49 C ATOM 918 CD ARG A 55 63.308 0.497 -3.295 1.00 0.60 C ATOM 919 NE ARG A 55 62.337 -0.382 -2.587 1.00 1.09 N ATOM 920 CZ ARG A 55 61.496 0.133 -1.733 1.00 1.62 C ATOM 921 NH1 ARG A 55 61.741 1.297 -1.197 1.00 2.28 N ATOM 922 NH2 ARG A 55 60.410 -0.517 -1.415 1.00 2.21 N ATOM 0 H ARG A 55 62.535 -0.758 -6.842 1.00 0.47 H new ATOM 0 HA ARG A 55 65.114 0.378 -7.566 1.00 0.48 H new ATOM 0 HB2 ARG A 55 64.877 1.309 -5.379 1.00 0.52 H new ATOM 0 HB3 ARG A 55 63.224 1.145 -5.937 1.00 0.52 H new ATOM 0 HG2 ARG A 55 63.055 -1.071 -4.762 1.00 0.49 H new ATOM 0 HG3 ARG A 55 64.702 -0.890 -4.193 1.00 0.49 H new ATOM 0 HD2 ARG A 55 64.130 0.785 -2.640 1.00 0.60 H new ATOM 0 HD3 ARG A 55 62.833 1.418 -3.634 1.00 0.60 H new ATOM 0 HE ARG A 55 62.329 -1.386 -2.769 1.00 1.09 H new ATOM 0 HH11 ARG A 55 62.590 1.804 -1.446 1.00 2.28 H new ATOM 0 HH12 ARG A 55 61.083 1.700 -0.529 1.00 2.28 H new ATOM 0 HH21 ARG A 55 60.219 -1.427 -1.834 1.00 2.21 H new ATOM 0 HH22 ARG A 55 59.752 -0.115 -0.747 1.00 2.21 H new ATOM 936 N SER A 56 65.016 -2.356 -5.746 1.00 0.43 N ATOM 937 CA SER A 56 65.873 -3.483 -5.308 1.00 0.44 C ATOM 938 C SER A 56 66.163 -4.394 -6.503 1.00 0.41 C ATOM 939 O SER A 56 67.113 -5.152 -6.496 1.00 0.43 O ATOM 940 CB SER A 56 65.051 -4.220 -4.251 1.00 0.52 C ATOM 941 OG SER A 56 65.586 -5.523 -4.064 1.00 1.45 O ATOM 0 H SER A 56 64.029 -2.437 -5.501 1.00 0.43 H new ATOM 0 HA SER A 56 66.833 -3.155 -4.909 1.00 0.44 H new ATOM 0 HB2 SER A 56 65.069 -3.669 -3.311 1.00 0.52 H new ATOM 0 HB3 SER A 56 64.009 -4.284 -4.564 1.00 0.52 H new ATOM 0 HG SER A 56 65.124 -5.963 -3.320 1.00 1.45 H new ATOM 947 N ARG A 57 65.355 -4.331 -7.533 1.00 0.42 N ATOM 948 CA ARG A 57 65.603 -5.200 -8.711 1.00 0.48 C ATOM 949 C ARG A 57 66.939 -4.842 -9.362 1.00 0.49 C ATOM 950 O ARG A 57 67.731 -5.703 -9.699 1.00 0.50 O ATOM 951 CB ARG A 57 64.447 -4.925 -9.671 1.00 0.57 C ATOM 952 CG ARG A 57 64.656 -5.727 -10.957 1.00 1.10 C ATOM 953 CD ARG A 57 63.349 -5.772 -11.751 1.00 1.61 C ATOM 954 NE ARG A 57 63.089 -7.220 -11.976 1.00 2.23 N ATOM 955 CZ ARG A 57 62.646 -7.633 -13.132 1.00 2.71 C ATOM 956 NH1 ARG A 57 63.142 -7.143 -14.234 1.00 3.33 N ATOM 957 NH2 ARG A 57 61.707 -8.537 -13.185 1.00 3.16 N ATOM 0 H ARG A 57 64.542 -3.719 -7.604 1.00 0.42 H new ATOM 0 HA ARG A 57 65.656 -6.253 -8.436 1.00 0.48 H new ATOM 0 HB2 ARG A 57 63.500 -5.201 -9.207 1.00 0.57 H new ATOM 0 HB3 ARG A 57 64.393 -3.860 -9.898 1.00 0.57 H new ATOM 0 HG2 ARG A 57 65.443 -5.271 -11.558 1.00 1.10 H new ATOM 0 HG3 ARG A 57 64.983 -6.739 -10.718 1.00 1.10 H new ATOM 0 HD2 ARG A 57 62.534 -5.305 -11.198 1.00 1.61 H new ATOM 0 HD3 ARG A 57 63.441 -5.236 -12.695 1.00 1.61 H new ATOM 0 HE ARG A 57 63.257 -7.890 -11.226 1.00 2.23 H new ATOM 0 HH11 ARG A 57 63.877 -6.437 -14.193 1.00 3.33 H new ATOM 0 HH12 ARG A 57 62.795 -7.466 -15.137 1.00 3.33 H new ATOM 0 HH21 ARG A 57 61.319 -8.921 -12.323 1.00 3.16 H new ATOM 0 HH22 ARG A 57 61.360 -8.860 -14.088 1.00 3.16 H new ATOM 971 N LYS A 58 67.205 -3.579 -9.526 1.00 0.52 N ATOM 972 CA LYS A 58 68.493 -3.173 -10.138 1.00 0.59 C ATOM 973 C LYS A 58 69.594 -3.337 -9.102 1.00 0.55 C ATOM 974 O LYS A 58 70.683 -3.782 -9.403 1.00 0.61 O ATOM 975 CB LYS A 58 68.316 -1.706 -10.523 1.00 0.68 C ATOM 976 CG LYS A 58 68.663 -1.521 -12.001 1.00 0.98 C ATOM 977 CD LYS A 58 67.536 -2.089 -12.866 1.00 1.17 C ATOM 978 CE LYS A 58 67.557 -1.414 -14.239 1.00 1.62 C ATOM 979 NZ LYS A 58 66.996 -2.429 -15.174 1.00 2.11 N ATOM 0 H LYS A 58 66.586 -2.812 -9.263 1.00 0.52 H new ATOM 0 HA LYS A 58 68.762 -3.772 -11.008 1.00 0.59 H new ATOM 0 HB2 LYS A 58 67.289 -1.392 -10.338 1.00 0.68 H new ATOM 0 HB3 LYS A 58 68.958 -1.077 -9.906 1.00 0.68 H new ATOM 0 HG2 LYS A 58 68.807 -0.463 -12.222 1.00 0.98 H new ATOM 0 HG3 LYS A 58 69.601 -2.025 -12.231 1.00 0.98 H new ATOM 0 HD2 LYS A 58 67.656 -3.167 -12.977 1.00 1.17 H new ATOM 0 HD3 LYS A 58 66.573 -1.924 -12.382 1.00 1.17 H new ATOM 0 HE2 LYS A 58 66.959 -0.503 -14.240 1.00 1.62 H new ATOM 0 HE3 LYS A 58 68.570 -1.131 -14.525 1.00 1.62 H new ATOM 0 HZ1 LYS A 58 66.978 -2.040 -16.138 1.00 2.11 H new ATOM 0 HZ2 LYS A 58 67.590 -3.283 -15.156 1.00 2.11 H new ATOM 0 HZ3 LYS A 58 66.029 -2.674 -14.881 1.00 2.11 H new ATOM 993 N ILE A 59 69.311 -3.002 -7.872 1.00 0.50 N ATOM 994 CA ILE A 59 70.345 -3.167 -6.819 1.00 0.53 C ATOM 995 C ILE A 59 70.564 -4.653 -6.561 1.00 0.47 C ATOM 996 O ILE A 59 71.623 -5.076 -6.144 1.00 0.54 O ATOM 997 CB ILE A 59 69.786 -2.481 -5.574 1.00 0.59 C ATOM 998 CG1 ILE A 59 69.167 -1.144 -5.962 1.00 0.69 C ATOM 999 CG2 ILE A 59 70.917 -2.233 -4.581 1.00 0.73 C ATOM 1000 CD1 ILE A 59 70.064 -0.447 -6.979 1.00 1.59 C ATOM 0 H ILE A 59 68.417 -2.625 -7.556 1.00 0.50 H new ATOM 0 HA ILE A 59 71.303 -2.734 -7.106 1.00 0.53 H new ATOM 0 HB ILE A 59 69.028 -3.120 -5.121 1.00 0.59 H new ATOM 0 HG12 ILE A 59 68.174 -1.299 -6.383 1.00 0.69 H new ATOM 0 HG13 ILE A 59 69.045 -0.517 -5.079 1.00 0.69 H new ATOM 0 HG21 ILE A 59 70.520 -1.743 -3.692 1.00 0.73 H new ATOM 0 HG22 ILE A 59 71.370 -3.184 -4.300 1.00 0.73 H new ATOM 0 HG23 ILE A 59 71.671 -1.594 -5.041 1.00 0.73 H new ATOM 0 HD11 ILE A 59 69.623 0.510 -7.258 1.00 1.59 H new ATOM 0 HD12 ILE A 59 71.048 -0.279 -6.541 1.00 1.59 H new ATOM 0 HD13 ILE A 59 70.163 -1.073 -7.866 1.00 1.59 H new ATOM 1012 N GLN A 60 69.566 -5.452 -6.818 1.00 0.46 N ATOM 1013 CA GLN A 60 69.716 -6.914 -6.600 1.00 0.48 C ATOM 1014 C GLN A 60 70.716 -7.477 -7.612 1.00 0.52 C ATOM 1015 O GLN A 60 71.584 -8.258 -7.278 1.00 0.60 O ATOM 1016 CB GLN A 60 68.322 -7.499 -6.829 1.00 0.53 C ATOM 1017 CG GLN A 60 68.410 -9.025 -6.888 1.00 0.68 C ATOM 1018 CD GLN A 60 67.173 -9.582 -7.595 1.00 1.03 C ATOM 1019 OE1 GLN A 60 66.071 -9.466 -7.098 1.00 1.66 O ATOM 1020 NE2 GLN A 60 67.311 -10.185 -8.744 1.00 1.49 N ATOM 0 H GLN A 60 68.656 -5.155 -7.169 1.00 0.46 H new ATOM 0 HA GLN A 60 70.089 -7.157 -5.605 1.00 0.48 H new ATOM 0 HB2 GLN A 60 67.652 -7.194 -6.025 1.00 0.53 H new ATOM 0 HB3 GLN A 60 67.902 -7.113 -7.758 1.00 0.53 H new ATOM 0 HG2 GLN A 60 69.312 -9.327 -7.419 1.00 0.68 H new ATOM 0 HG3 GLN A 60 68.481 -9.435 -5.880 1.00 0.68 H new ATOM 0 HE21 GLN A 60 68.237 -10.282 -9.161 1.00 1.49 H new ATOM 0 HE22 GLN A 60 66.493 -10.559 -9.225 1.00 1.49 H new ATOM 1029 N GLY A 61 70.605 -7.077 -8.848 1.00 0.56 N ATOM 1030 CA GLY A 61 71.555 -7.582 -9.878 1.00 0.70 C ATOM 1031 C GLY A 61 72.876 -6.817 -9.768 1.00 0.71 C ATOM 1032 O GLY A 61 73.879 -7.205 -10.333 1.00 0.90 O ATOM 0 H GLY A 61 69.899 -6.424 -9.189 1.00 0.56 H new ATOM 0 HA2 GLY A 61 71.727 -8.649 -9.738 1.00 0.70 H new ATOM 0 HA3 GLY A 61 71.130 -7.455 -10.874 1.00 0.70 H new ATOM 1036 N LEU A 62 72.881 -5.728 -9.049 1.00 0.63 N ATOM 1037 CA LEU A 62 74.133 -4.932 -8.906 1.00 0.70 C ATOM 1038 C LEU A 62 75.227 -5.748 -8.213 1.00 0.63 C ATOM 1039 O LEU A 62 76.300 -5.941 -8.748 1.00 0.72 O ATOM 1040 CB LEU A 62 73.741 -3.738 -8.038 1.00 0.77 C ATOM 1041 CG LEU A 62 73.326 -2.576 -8.934 1.00 1.18 C ATOM 1042 CD1 LEU A 62 72.909 -1.388 -8.065 1.00 1.61 C ATOM 1043 CD2 LEU A 62 74.505 -2.172 -9.820 1.00 1.67 C ATOM 0 H LEU A 62 72.071 -5.355 -8.554 1.00 0.63 H new ATOM 0 HA LEU A 62 74.533 -4.633 -9.875 1.00 0.70 H new ATOM 0 HB2 LEU A 62 72.921 -4.011 -7.374 1.00 0.77 H new ATOM 0 HB3 LEU A 62 74.579 -3.443 -7.406 1.00 0.77 H new ATOM 0 HG LEU A 62 72.488 -2.879 -9.561 1.00 1.18 H new ATOM 0 HD11 LEU A 62 72.612 -0.556 -8.704 1.00 1.61 H new ATOM 0 HD12 LEU A 62 72.070 -1.677 -7.432 1.00 1.61 H new ATOM 0 HD13 LEU A 62 73.748 -1.083 -7.439 1.00 1.61 H new ATOM 0 HD21 LEU A 62 74.210 -1.341 -10.461 1.00 1.67 H new ATOM 0 HD22 LEU A 62 75.343 -1.867 -9.193 1.00 1.67 H new ATOM 0 HD23 LEU A 62 74.803 -3.019 -10.438 1.00 1.67 H new ATOM 1055 N LEU A 63 74.975 -6.212 -7.019 1.00 0.58 N ATOM 1056 CA LEU A 63 76.019 -6.992 -6.295 1.00 0.62 C ATOM 1057 C LEU A 63 75.696 -8.497 -6.319 1.00 0.55 C ATOM 1058 O LEU A 63 76.511 -9.325 -5.964 1.00 0.66 O ATOM 1059 CB LEU A 63 76.024 -6.400 -4.880 1.00 0.70 C ATOM 1060 CG LEU A 63 74.841 -6.907 -4.053 1.00 0.61 C ATOM 1061 CD1 LEU A 63 75.289 -7.046 -2.603 1.00 0.68 C ATOM 1062 CD2 LEU A 63 73.677 -5.906 -4.106 1.00 0.60 C ATOM 0 H LEU A 63 74.097 -6.086 -6.516 1.00 0.58 H new ATOM 0 HA LEU A 63 77.005 -6.918 -6.753 1.00 0.62 H new ATOM 0 HB2 LEU A 63 76.957 -6.660 -4.379 1.00 0.70 H new ATOM 0 HB3 LEU A 63 75.987 -5.312 -4.940 1.00 0.70 H new ATOM 0 HG LEU A 63 74.509 -7.864 -4.457 1.00 0.61 H new ATOM 0 HD11 LEU A 63 74.457 -7.407 -1.998 1.00 0.68 H new ATOM 0 HD12 LEU A 63 76.115 -7.755 -2.544 1.00 0.68 H new ATOM 0 HD13 LEU A 63 75.616 -6.076 -2.229 1.00 0.68 H new ATOM 0 HD21 LEU A 63 72.845 -6.284 -3.512 1.00 0.60 H new ATOM 0 HD22 LEU A 63 74.003 -4.947 -3.704 1.00 0.60 H new ATOM 0 HD23 LEU A 63 73.356 -5.776 -5.139 1.00 0.60 H new ATOM 1074 N LYS A 64 74.526 -8.847 -6.779 1.00 0.51 N ATOM 1075 CA LYS A 64 74.137 -10.294 -6.890 1.00 0.56 C ATOM 1076 C LYS A 64 73.888 -10.923 -5.516 1.00 0.55 C ATOM 1077 O LYS A 64 73.651 -10.235 -4.552 1.00 1.06 O ATOM 1078 CB LYS A 64 75.324 -10.962 -7.577 1.00 0.71 C ATOM 1079 CG LYS A 64 74.817 -12.004 -8.577 1.00 1.17 C ATOM 1080 CD LYS A 64 75.998 -12.816 -9.113 1.00 1.56 C ATOM 1081 CE LYS A 64 75.525 -13.708 -10.263 1.00 2.20 C ATOM 1082 NZ LYS A 64 75.685 -12.875 -11.486 1.00 2.91 N ATOM 0 H LYS A 64 73.811 -8.189 -7.088 1.00 0.51 H new ATOM 0 HA LYS A 64 73.206 -10.416 -7.444 1.00 0.56 H new ATOM 0 HB2 LYS A 64 75.928 -10.214 -8.090 1.00 0.71 H new ATOM 0 HB3 LYS A 64 75.967 -11.437 -6.836 1.00 0.71 H new ATOM 0 HG2 LYS A 64 74.097 -12.665 -8.095 1.00 1.17 H new ATOM 0 HG3 LYS A 64 74.298 -11.512 -9.399 1.00 1.17 H new ATOM 0 HD2 LYS A 64 76.786 -12.147 -9.458 1.00 1.56 H new ATOM 0 HD3 LYS A 64 76.424 -13.426 -8.317 1.00 1.56 H new ATOM 0 HE2 LYS A 64 76.119 -14.620 -10.326 1.00 2.20 H new ATOM 0 HE3 LYS A 64 74.487 -14.013 -10.126 1.00 2.20 H new ATOM 0 HZ1 LYS A 64 75.381 -13.419 -12.319 1.00 2.91 H new ATOM 0 HZ2 LYS A 64 75.103 -12.017 -11.401 1.00 2.91 H new ATOM 0 HZ3 LYS A 64 76.684 -12.606 -11.595 1.00 2.91 H new ATOM 1096 N SER A 65 73.935 -12.235 -5.431 1.00 0.52 N ATOM 1097 CA SER A 65 73.698 -12.928 -4.121 1.00 0.45 C ATOM 1098 C SER A 65 74.076 -12.015 -2.965 1.00 0.39 C ATOM 1099 O SER A 65 73.332 -11.856 -2.019 1.00 0.41 O ATOM 1100 CB SER A 65 74.604 -14.157 -4.148 1.00 0.50 C ATOM 1101 OG SER A 65 74.406 -14.859 -5.368 1.00 0.60 O ATOM 0 H SER A 65 74.128 -12.857 -6.216 1.00 0.52 H new ATOM 0 HA SER A 65 72.651 -13.198 -3.984 1.00 0.45 H new ATOM 0 HB2 SER A 65 75.647 -13.856 -4.053 1.00 0.50 H new ATOM 0 HB3 SER A 65 74.381 -14.806 -3.301 1.00 0.50 H new ATOM 0 HG SER A 65 74.987 -15.648 -5.390 1.00 0.60 H new ATOM 1107 N CYS A 66 75.209 -11.387 -3.043 1.00 0.41 N ATOM 1108 CA CYS A 66 75.595 -10.463 -1.952 1.00 0.42 C ATOM 1109 C CYS A 66 74.409 -9.528 -1.694 1.00 0.47 C ATOM 1110 O CYS A 66 74.251 -8.974 -0.624 1.00 0.60 O ATOM 1111 CB CYS A 66 76.815 -9.713 -2.487 1.00 0.49 C ATOM 1112 SG CYS A 66 78.189 -10.873 -2.696 1.00 1.04 S ATOM 0 H CYS A 66 75.879 -11.472 -3.808 1.00 0.41 H new ATOM 0 HA CYS A 66 75.838 -10.953 -1.009 1.00 0.42 H new ATOM 0 HB2 CYS A 66 76.576 -9.240 -3.439 1.00 0.49 H new ATOM 0 HB3 CYS A 66 77.098 -8.917 -1.798 1.00 0.49 H new ATOM 0 HG CYS A 66 79.310 -10.216 -2.735 1.00 1.04 H new ATOM 1118 N THR A 67 73.555 -9.388 -2.678 1.00 0.48 N ATOM 1119 CA THR A 67 72.343 -8.537 -2.530 1.00 0.62 C ATOM 1120 C THR A 67 71.210 -9.382 -1.943 1.00 0.56 C ATOM 1121 O THR A 67 70.531 -8.977 -1.021 1.00 0.61 O ATOM 1122 CB THR A 67 71.981 -8.085 -3.954 1.00 0.77 C ATOM 1123 OG1 THR A 67 71.316 -6.832 -3.893 1.00 1.11 O ATOM 1124 CG2 THR A 67 71.060 -9.114 -4.619 1.00 0.89 C ATOM 0 H THR A 67 73.652 -9.836 -3.589 1.00 0.48 H new ATOM 0 HA THR A 67 72.509 -7.685 -1.871 1.00 0.62 H new ATOM 0 HB THR A 67 72.895 -7.994 -4.541 1.00 0.77 H new ATOM 0 HG1 THR A 67 71.523 -6.312 -4.698 1.00 1.11 H new ATOM 0 HG21 THR A 67 70.811 -8.782 -5.627 1.00 0.89 H new ATOM 0 HG22 THR A 67 71.567 -10.077 -4.669 1.00 0.89 H new ATOM 0 HG23 THR A 67 70.146 -9.215 -4.034 1.00 0.89 H new ATOM 1132 N ASN A 68 71.020 -10.568 -2.478 1.00 0.55 N ATOM 1133 CA ASN A 68 69.944 -11.471 -1.970 1.00 0.56 C ATOM 1134 C ASN A 68 68.757 -10.621 -1.491 1.00 0.56 C ATOM 1135 O ASN A 68 68.605 -9.498 -1.930 1.00 0.57 O ATOM 1136 CB ASN A 68 70.646 -12.242 -0.855 1.00 0.63 C ATOM 1137 CG ASN A 68 70.912 -11.311 0.323 1.00 1.41 C ATOM 1138 OD1 ASN A 68 70.163 -11.282 1.280 1.00 1.67 O ATOM 1139 ND2 ASN A 68 71.963 -10.541 0.288 1.00 2.02 N ATOM 0 H ASN A 68 71.569 -10.947 -3.249 1.00 0.55 H new ATOM 0 HA ASN A 68 69.517 -12.154 -2.705 1.00 0.56 H new ATOM 0 HB2 ASN A 68 70.029 -13.082 -0.536 1.00 0.63 H new ATOM 0 HB3 ASN A 68 71.584 -12.658 -1.222 1.00 0.63 H new ATOM 0 HD21 ASN A 68 72.160 -9.911 1.066 1.00 2.02 H new ATOM 0 HD22 ASN A 68 72.589 -10.569 -0.517 1.00 2.02 H new ATOM 1146 N PRO A 69 67.944 -11.153 -0.621 1.00 0.63 N ATOM 1147 CA PRO A 69 66.784 -10.374 -0.126 1.00 0.69 C ATOM 1148 C PRO A 69 67.300 -9.120 0.574 1.00 0.73 C ATOM 1149 O PRO A 69 68.109 -9.190 1.478 1.00 1.27 O ATOM 1150 CB PRO A 69 66.074 -11.347 0.817 1.00 0.78 C ATOM 1151 CG PRO A 69 67.131 -12.326 1.206 1.00 0.80 C ATOM 1152 CD PRO A 69 68.015 -12.476 -0.007 1.00 0.72 C ATOM 0 HA PRO A 69 66.100 -10.020 -0.898 1.00 0.69 H new ATOM 0 HB2 PRO A 69 65.670 -10.832 1.688 1.00 0.78 H new ATOM 0 HB3 PRO A 69 65.238 -11.841 0.322 1.00 0.78 H new ATOM 0 HG2 PRO A 69 67.700 -11.967 2.063 1.00 0.80 H new ATOM 0 HG3 PRO A 69 66.693 -13.282 1.492 1.00 0.80 H new ATOM 0 HD2 PRO A 69 69.036 -12.741 0.266 1.00 0.72 H new ATOM 0 HD3 PRO A 69 67.652 -13.254 -0.679 1.00 0.72 H new ATOM 1160 N THR A 70 66.882 -7.967 0.126 1.00 0.72 N ATOM 1161 CA THR A 70 67.396 -6.719 0.724 1.00 0.75 C ATOM 1162 C THR A 70 66.305 -5.658 0.860 1.00 0.70 C ATOM 1163 O THR A 70 66.171 -4.775 0.035 1.00 0.81 O ATOM 1164 CB THR A 70 68.490 -6.268 -0.249 1.00 0.82 C ATOM 1165 OG1 THR A 70 68.420 -7.050 -1.434 1.00 1.23 O ATOM 1166 CG2 THR A 70 69.841 -6.472 0.411 1.00 1.01 C ATOM 0 H THR A 70 66.207 -7.843 -0.628 1.00 0.72 H new ATOM 0 HA THR A 70 67.767 -6.872 1.737 1.00 0.75 H new ATOM 0 HB THR A 70 68.354 -5.217 -0.503 1.00 0.82 H new ATOM 0 HG1 THR A 70 68.848 -7.918 -1.279 1.00 1.23 H new ATOM 0 HG21 THR A 70 70.630 -6.155 -0.270 1.00 1.01 H new ATOM 0 HG22 THR A 70 69.892 -5.881 1.325 1.00 1.01 H new ATOM 0 HG23 THR A 70 69.972 -7.527 0.653 1.00 1.01 H new ATOM 1174 N GLU A 71 65.541 -5.726 1.912 1.00 0.67 N ATOM 1175 CA GLU A 71 64.473 -4.710 2.128 1.00 0.66 C ATOM 1176 C GLU A 71 64.876 -3.787 3.279 1.00 0.61 C ATOM 1177 O GLU A 71 64.629 -2.597 3.254 1.00 0.60 O ATOM 1178 CB GLU A 71 63.219 -5.510 2.482 1.00 0.80 C ATOM 1179 CG GLU A 71 61.990 -4.817 1.891 1.00 1.16 C ATOM 1180 CD GLU A 71 60.874 -5.842 1.687 1.00 1.62 C ATOM 1181 OE1 GLU A 71 60.645 -6.627 2.592 1.00 2.34 O ATOM 1182 OE2 GLU A 71 60.267 -5.824 0.629 1.00 2.19 O ATOM 0 H GLU A 71 65.609 -6.443 2.634 1.00 0.67 H new ATOM 0 HA GLU A 71 64.306 -4.082 1.253 1.00 0.66 H new ATOM 0 HB2 GLU A 71 63.300 -6.525 2.093 1.00 0.80 H new ATOM 0 HB3 GLU A 71 63.119 -5.591 3.564 1.00 0.80 H new ATOM 0 HG2 GLU A 71 61.652 -4.023 2.557 1.00 1.16 H new ATOM 0 HG3 GLU A 71 62.246 -4.348 0.941 1.00 1.16 H new ATOM 1189 N ASN A 72 65.513 -4.324 4.280 1.00 0.62 N ATOM 1190 CA ASN A 72 65.954 -3.475 5.422 1.00 0.60 C ATOM 1191 C ASN A 72 67.252 -2.764 5.042 1.00 0.51 C ATOM 1192 O ASN A 72 67.572 -1.705 5.548 1.00 0.50 O ATOM 1193 CB ASN A 72 66.189 -4.447 6.578 1.00 0.68 C ATOM 1194 CG ASN A 72 65.492 -3.923 7.835 1.00 1.55 C ATOM 1195 OD1 ASN A 72 64.783 -2.938 7.784 1.00 2.36 O ATOM 1196 ND2 ASN A 72 65.666 -4.544 8.970 1.00 2.15 N ATOM 0 H ASN A 72 65.748 -5.314 4.358 1.00 0.62 H new ATOM 0 HA ASN A 72 65.224 -2.711 5.689 1.00 0.60 H new ATOM 0 HB2 ASN A 72 65.805 -5.434 6.321 1.00 0.68 H new ATOM 0 HB3 ASN A 72 67.258 -4.559 6.762 1.00 0.68 H new ATOM 0 HD21 ASN A 72 65.207 -4.202 9.814 1.00 2.15 H new ATOM 0 HD22 ASN A 72 66.261 -5.371 9.013 1.00 2.15 H new ATOM 1203 N PHE A 73 67.987 -3.334 4.128 1.00 0.46 N ATOM 1204 CA PHE A 73 69.253 -2.697 3.683 1.00 0.41 C ATOM 1205 C PHE A 73 68.903 -1.539 2.758 1.00 0.38 C ATOM 1206 O PHE A 73 69.469 -0.468 2.836 1.00 0.39 O ATOM 1207 CB PHE A 73 70.021 -3.797 2.940 1.00 0.44 C ATOM 1208 CG PHE A 73 71.408 -3.313 2.595 1.00 0.62 C ATOM 1209 CD1 PHE A 73 71.581 -2.327 1.618 1.00 1.49 C ATOM 1210 CD2 PHE A 73 72.522 -3.858 3.243 1.00 1.31 C ATOM 1211 CE1 PHE A 73 72.867 -1.888 1.289 1.00 1.71 C ATOM 1212 CE2 PHE A 73 73.810 -3.419 2.912 1.00 1.48 C ATOM 1213 CZ PHE A 73 73.981 -2.432 1.935 1.00 1.25 C ATOM 0 H PHE A 73 67.762 -4.217 3.670 1.00 0.46 H new ATOM 0 HA PHE A 73 69.853 -2.299 4.501 1.00 0.41 H new ATOM 0 HB2 PHE A 73 70.082 -4.692 3.560 1.00 0.44 H new ATOM 0 HB3 PHE A 73 69.487 -4.075 2.031 1.00 0.44 H new ATOM 0 HD1 PHE A 73 70.722 -1.905 1.118 1.00 1.49 H new ATOM 0 HD2 PHE A 73 72.388 -4.618 3.999 1.00 1.31 H new ATOM 0 HE1 PHE A 73 73.000 -1.127 0.534 1.00 1.71 H new ATOM 0 HE2 PHE A 73 74.670 -3.842 3.410 1.00 1.48 H new ATOM 0 HZ PHE A 73 74.973 -2.091 1.680 1.00 1.25 H new ATOM 1223 N VAL A 74 67.935 -1.734 1.907 1.00 0.40 N ATOM 1224 CA VAL A 74 67.516 -0.628 1.010 1.00 0.42 C ATOM 1225 C VAL A 74 66.889 0.469 1.871 1.00 0.41 C ATOM 1226 O VAL A 74 66.997 1.648 1.584 1.00 0.41 O ATOM 1227 CB VAL A 74 66.489 -1.244 0.056 1.00 0.49 C ATOM 1228 CG1 VAL A 74 65.462 -2.049 0.852 1.00 0.52 C ATOM 1229 CG2 VAL A 74 65.773 -0.132 -0.716 1.00 0.59 C ATOM 0 H VAL A 74 67.420 -2.607 1.796 1.00 0.40 H new ATOM 0 HA VAL A 74 68.339 -0.185 0.449 1.00 0.42 H new ATOM 0 HB VAL A 74 67.002 -1.903 -0.644 1.00 0.49 H new ATOM 0 HG11 VAL A 74 64.733 -2.485 0.169 1.00 0.52 H new ATOM 0 HG12 VAL A 74 65.968 -2.844 1.399 1.00 0.52 H new ATOM 0 HG13 VAL A 74 64.951 -1.392 1.556 1.00 0.52 H new ATOM 0 HG21 VAL A 74 65.042 -0.572 -1.395 1.00 0.59 H new ATOM 0 HG22 VAL A 74 65.264 0.529 -0.014 1.00 0.59 H new ATOM 0 HG23 VAL A 74 66.502 0.440 -1.290 1.00 0.59 H new ATOM 1239 N GLN A 75 66.257 0.083 2.950 1.00 0.43 N ATOM 1240 CA GLN A 75 65.647 1.099 3.854 1.00 0.45 C ATOM 1241 C GLN A 75 66.754 2.001 4.405 1.00 0.40 C ATOM 1242 O GLN A 75 66.621 3.213 4.494 1.00 0.41 O ATOM 1243 CB GLN A 75 64.995 0.291 4.978 1.00 0.51 C ATOM 1244 CG GLN A 75 64.347 1.244 5.985 1.00 1.10 C ATOM 1245 CD GLN A 75 63.161 0.549 6.655 1.00 1.07 C ATOM 1246 OE1 GLN A 75 63.315 -0.493 7.262 1.00 1.60 O ATOM 1247 NE2 GLN A 75 61.975 1.085 6.571 1.00 1.48 N ATOM 0 H GLN A 75 66.138 -0.887 3.242 1.00 0.43 H new ATOM 0 HA GLN A 75 64.920 1.737 3.352 1.00 0.45 H new ATOM 0 HB2 GLN A 75 64.245 -0.384 4.566 1.00 0.51 H new ATOM 0 HB3 GLN A 75 65.742 -0.327 5.476 1.00 0.51 H new ATOM 0 HG2 GLN A 75 65.076 1.547 6.736 1.00 1.10 H new ATOM 0 HG3 GLN A 75 64.013 2.151 5.481 1.00 1.10 H new ATOM 0 HE21 GLN A 75 61.845 1.959 6.062 1.00 1.48 H new ATOM 0 HE22 GLN A 75 61.177 0.630 7.015 1.00 1.48 H new ATOM 1256 N GLU A 76 67.865 1.417 4.755 1.00 0.38 N ATOM 1257 CA GLU A 76 68.989 2.231 5.269 1.00 0.37 C ATOM 1258 C GLU A 76 69.387 3.234 4.195 1.00 0.35 C ATOM 1259 O GLU A 76 69.448 4.424 4.433 1.00 0.36 O ATOM 1260 CB GLU A 76 70.109 1.231 5.519 1.00 0.40 C ATOM 1261 CG GLU A 76 70.044 0.756 6.967 1.00 0.58 C ATOM 1262 CD GLU A 76 68.920 -0.268 7.122 1.00 0.90 C ATOM 1263 OE1 GLU A 76 67.769 0.130 7.049 1.00 1.71 O ATOM 1264 OE2 GLU A 76 69.228 -1.434 7.309 1.00 1.64 O ATOM 0 H GLU A 76 68.039 0.413 4.706 1.00 0.38 H new ATOM 0 HA GLU A 76 68.747 2.789 6.173 1.00 0.37 H new ATOM 0 HB2 GLU A 76 70.013 0.383 4.841 1.00 0.40 H new ATOM 0 HB3 GLU A 76 71.076 1.692 5.318 1.00 0.40 H new ATOM 0 HG2 GLU A 76 70.996 0.312 7.258 1.00 0.58 H new ATOM 0 HG3 GLU A 76 69.871 1.603 7.631 1.00 0.58 H new ATOM 1271 N LEU A 77 69.618 2.763 2.997 1.00 0.35 N ATOM 1272 CA LEU A 77 69.971 3.698 1.894 1.00 0.38 C ATOM 1273 C LEU A 77 69.094 4.926 2.041 1.00 0.37 C ATOM 1274 O LEU A 77 69.513 6.051 1.864 1.00 0.41 O ATOM 1275 CB LEU A 77 69.617 2.946 0.612 1.00 0.41 C ATOM 1276 CG LEU A 77 70.637 3.277 -0.479 1.00 0.46 C ATOM 1277 CD1 LEU A 77 70.956 4.772 -0.447 1.00 0.59 C ATOM 1278 CD2 LEU A 77 71.919 2.483 -0.232 1.00 0.70 C ATOM 0 H LEU A 77 69.577 1.777 2.738 1.00 0.35 H new ATOM 0 HA LEU A 77 71.016 4.008 1.895 1.00 0.38 H new ATOM 0 HB2 LEU A 77 69.607 1.872 0.800 1.00 0.41 H new ATOM 0 HB3 LEU A 77 68.615 3.221 0.282 1.00 0.41 H new ATOM 0 HG LEU A 77 70.223 3.014 -1.453 1.00 0.46 H new ATOM 0 HD11 LEU A 77 71.683 5.006 -1.225 1.00 0.59 H new ATOM 0 HD12 LEU A 77 70.043 5.343 -0.620 1.00 0.59 H new ATOM 0 HD13 LEU A 77 71.369 5.035 0.527 1.00 0.59 H new ATOM 0 HD21 LEU A 77 72.647 2.717 -1.008 1.00 0.70 H new ATOM 0 HD22 LEU A 77 72.329 2.748 0.742 1.00 0.70 H new ATOM 0 HD23 LEU A 77 71.696 1.416 -0.254 1.00 0.70 H new ATOM 1290 N LEU A 78 67.868 4.687 2.391 1.00 0.37 N ATOM 1291 CA LEU A 78 66.903 5.798 2.593 1.00 0.40 C ATOM 1292 C LEU A 78 67.453 6.802 3.608 1.00 0.41 C ATOM 1293 O LEU A 78 67.607 7.972 3.318 1.00 0.49 O ATOM 1294 CB LEU A 78 65.659 5.105 3.147 1.00 0.40 C ATOM 1295 CG LEU A 78 64.391 5.767 2.602 1.00 0.46 C ATOM 1296 CD1 LEU A 78 64.448 5.822 1.074 1.00 0.69 C ATOM 1297 CD2 LEU A 78 63.173 4.946 3.033 1.00 0.53 C ATOM 0 H LEU A 78 67.486 3.755 2.549 1.00 0.37 H new ATOM 0 HA LEU A 78 66.703 6.358 1.679 1.00 0.40 H new ATOM 0 HB2 LEU A 78 65.671 4.050 2.875 1.00 0.40 H new ATOM 0 HB3 LEU A 78 65.663 5.153 4.236 1.00 0.40 H new ATOM 0 HG LEU A 78 64.315 6.781 2.994 1.00 0.46 H new ATOM 0 HD11 LEU A 78 63.543 6.294 0.693 1.00 0.69 H new ATOM 0 HD12 LEU A 78 65.318 6.401 0.763 1.00 0.69 H new ATOM 0 HD13 LEU A 78 64.524 4.810 0.676 1.00 0.69 H new ATOM 0 HD21 LEU A 78 62.266 5.412 2.648 1.00 0.53 H new ATOM 0 HD22 LEU A 78 63.258 3.934 2.637 1.00 0.53 H new ATOM 0 HD23 LEU A 78 63.127 4.907 4.121 1.00 0.53 H new ATOM 1309 N VAL A 79 67.742 6.358 4.800 1.00 0.38 N ATOM 1310 CA VAL A 79 68.275 7.300 5.833 1.00 0.42 C ATOM 1311 C VAL A 79 69.644 7.852 5.415 1.00 0.46 C ATOM 1312 O VAL A 79 70.181 8.737 6.051 1.00 0.56 O ATOM 1313 CB VAL A 79 68.406 6.466 7.112 1.00 0.42 C ATOM 1314 CG1 VAL A 79 69.395 7.143 8.069 1.00 0.45 C ATOM 1315 CG2 VAL A 79 67.038 6.358 7.790 1.00 0.49 C ATOM 0 H VAL A 79 67.634 5.391 5.105 1.00 0.38 H new ATOM 0 HA VAL A 79 67.619 8.160 5.968 1.00 0.42 H new ATOM 0 HB VAL A 79 68.770 5.470 6.859 1.00 0.42 H new ATOM 0 HG11 VAL A 79 69.487 6.548 8.978 1.00 0.45 H new ATOM 0 HG12 VAL A 79 70.370 7.223 7.588 1.00 0.45 H new ATOM 0 HG13 VAL A 79 69.032 8.139 8.322 1.00 0.45 H new ATOM 0 HG21 VAL A 79 67.129 5.765 8.700 1.00 0.49 H new ATOM 0 HG22 VAL A 79 66.677 7.355 8.041 1.00 0.49 H new ATOM 0 HG23 VAL A 79 66.333 5.877 7.112 1.00 0.49 H new ATOM 1325 N LYS A 80 70.222 7.335 4.365 1.00 0.49 N ATOM 1326 CA LYS A 80 71.563 7.836 3.941 1.00 0.59 C ATOM 1327 C LYS A 80 71.481 8.581 2.602 1.00 0.50 C ATOM 1328 O LYS A 80 72.180 9.549 2.383 1.00 0.54 O ATOM 1329 CB LYS A 80 72.422 6.573 3.812 1.00 0.80 C ATOM 1330 CG LYS A 80 73.443 6.741 2.681 1.00 1.41 C ATOM 1331 CD LYS A 80 74.253 8.018 2.904 1.00 2.23 C ATOM 1332 CE LYS A 80 74.581 8.655 1.551 1.00 3.19 C ATOM 1333 NZ LYS A 80 75.954 9.207 1.712 1.00 3.95 N ATOM 0 H LYS A 80 69.829 6.593 3.786 1.00 0.49 H new ATOM 0 HA LYS A 80 71.977 8.550 4.653 1.00 0.59 H new ATOM 0 HB2 LYS A 80 72.938 6.378 4.752 1.00 0.80 H new ATOM 0 HB3 LYS A 80 71.786 5.711 3.613 1.00 0.80 H new ATOM 0 HG2 LYS A 80 74.108 5.878 2.647 1.00 1.41 H new ATOM 0 HG3 LYS A 80 72.931 6.787 1.720 1.00 1.41 H new ATOM 0 HD2 LYS A 80 73.688 8.717 3.520 1.00 2.23 H new ATOM 0 HD3 LYS A 80 75.172 7.789 3.443 1.00 2.23 H new ATOM 0 HE2 LYS A 80 74.542 7.919 0.748 1.00 3.19 H new ATOM 0 HE3 LYS A 80 73.867 9.439 1.300 1.00 3.19 H new ATOM 0 HZ1 LYS A 80 76.232 9.705 0.843 1.00 3.95 H new ATOM 0 HZ2 LYS A 80 75.969 9.871 2.512 1.00 3.95 H new ATOM 0 HZ3 LYS A 80 76.621 8.430 1.894 1.00 3.95 H new ATOM 1347 N LEU A 81 70.645 8.141 1.704 1.00 0.54 N ATOM 1348 CA LEU A 81 70.546 8.829 0.383 1.00 0.63 C ATOM 1349 C LEU A 81 70.592 10.353 0.549 1.00 0.71 C ATOM 1350 O LEU A 81 70.941 11.071 -0.367 1.00 0.92 O ATOM 1351 CB LEU A 81 69.205 8.370 -0.199 1.00 0.71 C ATOM 1352 CG LEU A 81 68.230 9.545 -0.256 1.00 0.83 C ATOM 1353 CD1 LEU A 81 68.597 10.457 -1.428 1.00 1.13 C ATOM 1354 CD2 LEU A 81 66.809 9.014 -0.446 1.00 0.95 C ATOM 0 H LEU A 81 70.027 7.338 1.825 1.00 0.54 H new ATOM 0 HA LEU A 81 71.380 8.579 -0.273 1.00 0.63 H new ATOM 0 HB2 LEU A 81 69.354 7.962 -1.199 1.00 0.71 H new ATOM 0 HB3 LEU A 81 68.788 7.570 0.413 1.00 0.71 H new ATOM 0 HG LEU A 81 68.286 10.112 0.673 1.00 0.83 H new ATOM 0 HD11 LEU A 81 67.901 11.295 -1.469 1.00 1.13 H new ATOM 0 HD12 LEU A 81 69.611 10.833 -1.293 1.00 1.13 H new ATOM 0 HD13 LEU A 81 68.541 9.893 -2.359 1.00 1.13 H new ATOM 0 HD21 LEU A 81 66.111 9.850 -0.487 1.00 0.95 H new ATOM 0 HD22 LEU A 81 66.753 8.449 -1.376 1.00 0.95 H new ATOM 0 HD23 LEU A 81 66.549 8.364 0.390 1.00 0.95 H new ATOM 1366 N ARG A 82 70.243 10.859 1.700 1.00 0.70 N ATOM 1367 CA ARG A 82 70.273 12.337 1.892 1.00 0.92 C ATOM 1368 C ARG A 82 71.686 12.808 2.246 1.00 1.10 C ATOM 1369 O ARG A 82 72.022 13.963 2.079 1.00 1.47 O ATOM 1370 CB ARG A 82 69.305 12.612 3.044 1.00 1.09 C ATOM 1371 CG ARG A 82 68.697 14.008 2.884 1.00 1.66 C ATOM 1372 CD ARG A 82 67.622 14.221 3.954 1.00 1.80 C ATOM 1373 NE ARG A 82 66.653 15.173 3.343 1.00 2.41 N ATOM 1374 CZ ARG A 82 65.444 15.273 3.826 1.00 3.03 C ATOM 1375 NH1 ARG A 82 65.237 15.117 5.105 1.00 3.53 N ATOM 1376 NH2 ARG A 82 64.440 15.524 3.029 1.00 3.69 N ATOM 0 H ARG A 82 69.941 10.318 2.510 1.00 0.70 H new ATOM 0 HA ARG A 82 69.987 12.871 0.986 1.00 0.92 H new ATOM 0 HB2 ARG A 82 68.516 11.860 3.056 1.00 1.09 H new ATOM 0 HB3 ARG A 82 69.829 12.540 3.997 1.00 1.09 H new ATOM 0 HG2 ARG A 82 69.473 14.767 2.977 1.00 1.66 H new ATOM 0 HG3 ARG A 82 68.263 14.116 1.890 1.00 1.66 H new ATOM 0 HD2 ARG A 82 67.138 13.281 4.220 1.00 1.80 H new ATOM 0 HD3 ARG A 82 68.051 14.628 4.869 1.00 1.80 H new ATOM 0 HE ARG A 82 66.934 15.747 2.548 1.00 2.41 H new ATOM 0 HH11 ARG A 82 66.020 14.917 5.728 1.00 3.53 H new ATOM 0 HH12 ARG A 82 64.292 15.195 5.482 1.00 3.53 H new ATOM 0 HH21 ARG A 82 64.600 15.642 2.029 1.00 3.69 H new ATOM 0 HH22 ARG A 82 63.496 15.602 3.407 1.00 3.69 H new ATOM 1390 N GLY A 83 72.521 11.927 2.721 1.00 1.42 N ATOM 1391 CA GLY A 83 73.910 12.340 3.067 1.00 1.78 C ATOM 1392 C GLY A 83 74.535 13.038 1.860 1.00 1.39 C ATOM 1393 O GLY A 83 74.394 14.231 1.680 1.00 1.58 O ATOM 0 H GLY A 83 72.304 10.944 2.884 1.00 1.42 H new ATOM 0 HA2 GLY A 83 73.901 13.010 3.927 1.00 1.78 H new ATOM 0 HA3 GLY A 83 74.503 11.470 3.348 1.00 1.78 H new ATOM 1397 N LEU A 84 75.213 12.301 1.023 1.00 1.22 N ATOM 1398 CA LEU A 84 75.835 12.921 -0.179 1.00 1.37 C ATOM 1399 C LEU A 84 75.586 12.039 -1.404 1.00 1.18 C ATOM 1400 O LEU A 84 76.096 12.296 -2.477 1.00 1.47 O ATOM 1401 CB LEU A 84 77.325 13.006 0.140 1.00 1.90 C ATOM 1402 CG LEU A 84 77.515 13.759 1.457 1.00 1.73 C ATOM 1403 CD1 LEU A 84 79.006 13.865 1.781 1.00 2.46 C ATOM 1404 CD2 LEU A 84 76.928 15.167 1.329 1.00 1.68 C ATOM 0 H LEU A 84 75.363 11.297 1.120 1.00 1.22 H new ATOM 0 HA LEU A 84 75.420 13.903 -0.405 1.00 1.37 H new ATOM 0 HB2 LEU A 84 77.751 12.005 0.215 1.00 1.90 H new ATOM 0 HB3 LEU A 84 77.853 13.518 -0.665 1.00 1.90 H new ATOM 0 HG LEU A 84 77.006 13.218 2.255 1.00 1.73 H new ATOM 0 HD11 LEU A 84 79.137 14.402 2.720 1.00 2.46 H new ATOM 0 HD12 LEU A 84 79.430 12.865 1.873 1.00 2.46 H new ATOM 0 HD13 LEU A 84 79.515 14.403 0.981 1.00 2.46 H new ATOM 0 HD21 LEU A 84 77.063 15.704 2.268 1.00 1.68 H new ATOM 0 HD22 LEU A 84 77.438 15.702 0.528 1.00 1.68 H new ATOM 0 HD23 LEU A 84 75.865 15.098 1.100 1.00 1.68 H new ATOM 1416 N HIS A 85 74.802 11.001 -1.252 1.00 0.91 N ATOM 1417 CA HIS A 85 74.506 10.102 -2.402 1.00 1.02 C ATOM 1418 C HIS A 85 75.753 9.310 -2.796 1.00 1.31 C ATOM 1419 O HIS A 85 75.897 8.906 -3.933 1.00 1.86 O ATOM 1420 CB HIS A 85 74.086 11.033 -3.546 1.00 1.35 C ATOM 1421 CG HIS A 85 72.587 11.062 -3.664 1.00 1.70 C ATOM 1422 ND1 HIS A 85 71.793 11.796 -2.798 1.00 2.50 N ATOM 1423 CD2 HIS A 85 71.725 10.474 -4.556 1.00 2.50 C ATOM 1424 CE1 HIS A 85 70.514 11.636 -3.186 1.00 3.31 C ATOM 1425 NE2 HIS A 85 70.416 10.839 -4.253 1.00 3.35 N ATOM 0 H HIS A 85 74.353 10.739 -0.374 1.00 0.91 H new ATOM 0 HA HIS A 85 73.730 9.376 -2.159 1.00 1.02 H new ATOM 0 HB2 HIS A 85 74.464 12.039 -3.364 1.00 1.35 H new ATOM 0 HB3 HIS A 85 74.526 10.692 -4.483 1.00 1.35 H new ATOM 0 HD2 HIS A 85 72.018 9.827 -5.369 1.00 2.50 H new ATOM 0 HE1 HIS A 85 69.670 12.096 -2.694 1.00 3.31 H new ATOM 0 HE2 HIS A 85 69.565 10.558 -4.741 1.00 3.35 H new ATOM 1433 N LYS A 86 76.659 9.069 -1.880 1.00 1.20 N ATOM 1434 CA LYS A 86 77.870 8.295 -2.248 1.00 1.64 C ATOM 1435 C LYS A 86 78.820 8.188 -1.055 1.00 2.46 C ATOM 1436 O LYS A 86 78.345 7.896 0.025 1.00 3.09 O ATOM 1437 CB LYS A 86 78.527 9.083 -3.382 1.00 2.03 C ATOM 1438 CG LYS A 86 78.743 10.529 -2.932 1.00 2.76 C ATOM 1439 CD LYS A 86 79.552 11.284 -3.988 1.00 3.52 C ATOM 1440 CE LYS A 86 80.441 12.321 -3.297 1.00 4.06 C ATOM 1441 NZ LYS A 86 81.203 12.969 -4.400 1.00 4.70 N ATOM 1442 OXT LYS A 86 80.007 8.399 -1.245 1.00 3.05 O ATOM 0 H LYS A 86 76.608 9.373 -0.908 1.00 1.20 H new ATOM 0 HA LYS A 86 77.623 7.277 -2.550 1.00 1.64 H new ATOM 0 HB2 LYS A 86 79.480 8.628 -3.652 1.00 2.03 H new ATOM 0 HB3 LYS A 86 77.897 9.057 -4.271 1.00 2.03 H new ATOM 0 HG2 LYS A 86 77.782 11.019 -2.778 1.00 2.76 H new ATOM 0 HG3 LYS A 86 79.267 10.548 -1.977 1.00 2.76 H new ATOM 0 HD2 LYS A 86 80.164 10.587 -4.561 1.00 3.52 H new ATOM 0 HD3 LYS A 86 78.882 11.775 -4.694 1.00 3.52 H new ATOM 0 HE2 LYS A 86 79.844 13.050 -2.748 1.00 4.06 H new ATOM 0 HE3 LYS A 86 81.111 11.850 -2.577 1.00 4.06 H new ATOM 0 HZ1 LYS A 86 81.836 13.694 -4.006 1.00 4.70 H new ATOM 0 HZ2 LYS A 86 81.766 12.252 -4.900 1.00 4.70 H new ATOM 0 HZ3 LYS A 86 80.539 13.414 -5.066 1.00 4.70 H new TER 1456 LYS A 86 END