USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 818 hydrogens (6 hets) HEADER HYDROLASE 11-AUG-07 2RLT TITLE PHOSPHORYLATED CPI-17 (22-120) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 14A; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 22-120; COMPND 5 SYNONYM: PROTEIN KINASE C-POTENTIATED INHIBITOR PROTEIN OF COMPND 6 17 KDA, 17 KDA PKC-POTENTIATED INHIBITORY PROTEIN OF PP1, COMPND 7 CPI-17; COMPND 8 EC: 3.1.-.-; COMPND 9 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: CPI17; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET30 KEYWDS PHOSPHORYLATION, PP1 INHIBITOR, CYTOPLASM, PROTEIN KEYWDS 2 PHOSPHATASE INHIBITOR, HYDROLASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.ETO REVDAT 2 24-FEB-09 2RLT 1 VERSN REVDAT 1 15-JUL-08 2RLT 0 JRNL AUTH M.ETO,T.KITAZAWA,F.MATSUZAWA,S.AIKAWA, JRNL AUTH 2 J.A.KIRKBRIDE,N.ISOZUMI,Y.NISHIMURA,D.L.BRAUTIGAN, JRNL AUTH 3 S.Y.OHKI JRNL TITL PHOSPHORYLATION-INDUCED CONFORMATIONAL SWITCHING JRNL TITL 2 OF CPI-17 PRODUCES A POTENT MYOSIN PHOSPHATASE JRNL TITL 3 INHIBITOR. JRNL REF STRUCTURE V. 15 1591 2007 JRNL REFN ISSN 0969-2126 JRNL PMID 18073109 JRNL DOI 10.1016/J.STR.2007.10.014 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: DGSA-DISTANCE GEOMETRY SIMULATED REMARK 3 ANNEALING REMARK 4 REMARK 4 2RLT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-AUG-07. REMARK 100 THE RCSB ID CODE IS RCSB150014. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM [U-100% 15N] H2O, 1 MM REMARK 210 [U-100% 13C; U-100% 15N] H2O, REMARK 210 1 MM [U-100% 13C; U-100% 15N] REMARK 210 D2O, 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC, 2D 1H-13C REMARK 210 HSQC, 3D HNCA, 3D HNCO, 3D REMARK 210 CBCA(CO)NH, 3D C(CO)NH, 3D REMARK 210 HNCACB, 3D 1H-15N NOESY, 3D 1H REMARK 210 -15N TOCSY, 3D 1H-13C NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.851 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 ALA A 48 N MET A 50 2.00 REMARK 500 O ALA A 48 O MET A 50 2.12 REMARK 500 O GLU A 65 N GLU A 67 2.17 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 12 88.45 -156.99 REMARK 500 ALA A 14 132.78 168.76 REMARK 500 ARG A 15 69.37 -69.60 REMARK 500 LEU A 25 -175.22 -51.66 REMARK 500 GLU A 41 -70.36 -91.70 REMARK 500 LEU A 42 -94.05 -15.73 REMARK 500 TYR A 43 -42.91 167.15 REMARK 500 ARG A 44 107.74 56.17 REMARK 500 ARG A 46 -58.30 -148.13 REMARK 500 GLU A 47 -91.63 -118.41 REMARK 500 ALA A 48 -14.02 -47.84 REMARK 500 ASP A 49 -39.95 -14.40 REMARK 500 ASP A 52 105.84 -170.33 REMARK 500 GLU A 53 115.61 -170.39 REMARK 500 VAL A 54 -24.26 -163.92 REMARK 500 GLU A 61 73.37 -167.16 REMARK 500 LEU A 62 -45.18 -141.53 REMARK 500 GLU A 63 15.05 84.10 REMARK 500 GLU A 65 152.14 -34.78 REMARK 500 GLU A 66 67.85 -43.83 REMARK 500 CYS A 79 128.38 56.74 REMARK 500 ASN A 81 -123.99 -161.37 REMARK 500 PRO A 82 10.42 -67.73 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 12 0.22 SIDE_CHAIN REMARK 500 ARG A 15 0.31 SIDE_CHAIN REMARK 500 ARG A 22 0.32 SIDE_CHAIN REMARK 500 ARG A 27 0.29 SIDE_CHAIN REMARK 500 ARG A 28 0.10 SIDE_CHAIN REMARK 500 ARG A 38 0.29 SIDE_CHAIN REMARK 500 ARG A 44 0.32 SIDE_CHAIN REMARK 500 ARG A 46 0.20 SIDE_CHAIN REMARK 500 ARG A 68 0.18 SIDE_CHAIN REMARK 500 ARG A 70 0.30 SIDE_CHAIN REMARK 500 ARG A 95 0.25 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1J2M RELATED DB: PDB REMARK 900 RELATED ID: 1J2N RELATED DB: PDB REMARK 900 RELATED ID: 15428 RELATED DB: BMRB DBREF 2RLT A 1 99 UNP O18734 PP14A_PIG 22 120 SEQRES 1 A 99 GLY PRO GLY GLY SER PRO GLY GLY LEU GLN LYS ARG HIS SEQRES 2 A 99 ALA ARG VAL TPO VAL LYS TYR ASP ARG ARG GLU LEU GLN SEQRES 3 A 99 ARG ARG LEU ASP VAL GLU LYS TRP ILE ASP GLY ARG LEU SEQRES 4 A 99 GLU GLU LEU TYR ARG GLY ARG GLU ALA ASP MET PRO ASP SEQRES 5 A 99 GLU VAL ASN ILE ASP GLU LEU LEU GLU LEU GLU SER GLU SEQRES 6 A 99 GLU GLU ARG SER ARG LYS ILE GLN GLY LEU LEU LYS SER SEQRES 7 A 99 CYS THR ASN PRO THR GLU ASN PHE VAL GLN GLU LEU LEU SEQRES 8 A 99 VAL LYS LEU ARG GLY LEU HIS LYS MODRES 2RLT TPO A 17 THR PHOSPHOTHREONINE HET TPO A 17 17 HETNAM TPO PHOSPHOTHREONINE HETSYN TPO PHOSPHONOTHREONINE FORMUL 1 TPO C4 H10 N O6 P HELIX 1 1 ARG A 28 LEU A 42 1 15 HELIX 2 2 VAL A 54 LEU A 62 1 9 HELIX 3 3 GLU A 66 LYS A 77 1 12 HELIX 4 4 THR A 83 ARG A 95 1 13 LINK C VAL A 16 N TPO A 17 1555 1555 1.29 LINK C TPO A 17 N VAL A 18 1555 1555 1.28 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 TPO H2 : A 17 TPO N : A 16 VAL C :(H bumps) USER MOD NoAdj-H: A 17 TPO H : A 17 TPO N : A 16 VAL C :(H bumps) USER MOD Set 1.1: A 79 CYS SG : rot 180:sc= -1.53! USER MOD Set 1.2: A 80 THR OG1 : rot 13:sc= 0.623! USER MOD Set 1.3: A 81 ASN : amide:sc= -16.7! C(o=-16!,f=-12!) USER MOD Set 1.4: A 83 THR OG1 : rot 127:sc= 1.51 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.163 (180deg=0) USER MOD Single : A 5 SER OG : rot 41:sc= 0.101 USER MOD Single : A 10 GLN : amide:sc= -1.72 K(o=-1.7,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -40! C(o=-40!,f=-41!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 30:sc= -1.36 USER MOD Single : A 26 GLN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -5.54! USER MOD Single : A 50 MET CE :methyl -155:sc= -11.8! (180deg=-13.5!) USER MOD Single : A 55 ASN : amide:sc= -26! C(o=-26!,f=-37!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -75:sc= -4.7! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.87! K(o=-1.9!,f=-1.4) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -72:sc= 0.142 USER MOD Single : A 85 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.4!) USER MOD Single : A 88 GLN : amide:sc= -2.28 X(o=-2.3,f=-2.7!) USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= -1.5 (180deg=-3.01!) USER MOD Single : A 98 HIS : no HE2:sc= -15.2! C(o=-15!,f=-18!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 91.518 -22.773 13.450 1.00 12.31 N ATOM 2 CA GLY A 1 90.968 -23.691 14.488 1.00 12.11 C ATOM 3 C GLY A 1 89.793 -24.477 13.904 1.00 11.42 C ATOM 4 O GLY A 1 89.439 -24.304 12.755 1.00 11.16 O ATOM 0 H1 GLY A 1 92.539 -22.939 13.345 1.00 12.31 H new ATOM 0 H2 GLY A 1 91.043 -22.951 12.542 1.00 12.31 H new ATOM 0 H3 GLY A 1 91.356 -21.787 13.738 1.00 12.31 H new ATOM 0 HA2 GLY A 1 91.743 -24.376 14.830 1.00 12.11 H new ATOM 0 HA3 GLY A 1 90.641 -23.120 15.357 1.00 12.11 H new ATOM 10 N PRO A 2 89.227 -25.319 14.724 1.00 11.33 N ATOM 11 CA PRO A 2 88.076 -26.149 14.291 1.00 10.90 C ATOM 12 C PRO A 2 86.814 -25.289 14.166 1.00 10.39 C ATOM 13 O PRO A 2 85.884 -25.420 14.936 1.00 10.50 O ATOM 14 CB PRO A 2 87.929 -27.170 15.415 1.00 11.26 C ATOM 15 CG PRO A 2 88.533 -26.515 16.617 1.00 11.66 C ATOM 16 CD PRO A 2 89.602 -25.577 16.119 1.00 11.83 C ATOM 0 HA PRO A 2 88.224 -26.614 13.316 1.00 10.90 H new ATOM 0 HB2 PRO A 2 86.882 -27.420 15.586 1.00 11.26 H new ATOM 0 HB3 PRO A 2 88.443 -28.100 15.173 1.00 11.26 H new ATOM 0 HG2 PRO A 2 87.775 -25.971 17.181 1.00 11.66 H new ATOM 0 HG3 PRO A 2 88.957 -27.260 17.290 1.00 11.66 H new ATOM 0 HD2 PRO A 2 89.628 -24.656 16.702 1.00 11.83 H new ATOM 0 HD3 PRO A 2 90.592 -26.027 16.189 1.00 11.83 H new ATOM 24 N GLY A 3 86.777 -24.411 13.201 1.00 10.06 N ATOM 25 CA GLY A 3 85.576 -23.545 13.028 1.00 9.81 C ATOM 26 C GLY A 3 85.690 -22.323 13.941 1.00 9.32 C ATOM 27 O GLY A 3 86.122 -21.266 13.528 1.00 9.45 O ATOM 0 H GLY A 3 87.525 -24.256 12.526 1.00 10.06 H new ATOM 0 HA2 GLY A 3 85.490 -23.228 11.989 1.00 9.81 H new ATOM 0 HA3 GLY A 3 84.673 -24.107 13.266 1.00 9.81 H new ATOM 31 N GLY A 4 85.307 -22.460 15.181 1.00 8.99 N ATOM 32 CA GLY A 4 85.394 -21.305 16.119 1.00 8.76 C ATOM 33 C GLY A 4 86.829 -20.777 16.149 1.00 7.98 C ATOM 34 O GLY A 4 87.701 -21.357 16.766 1.00 8.11 O ATOM 0 H GLY A 4 84.938 -23.321 15.585 1.00 8.99 H new ATOM 0 HA2 GLY A 4 84.712 -20.515 15.804 1.00 8.76 H new ATOM 0 HA3 GLY A 4 85.087 -21.612 17.119 1.00 8.76 H new ATOM 38 N SER A 5 87.083 -19.681 15.488 1.00 7.40 N ATOM 39 CA SER A 5 88.463 -19.117 15.479 1.00 6.85 C ATOM 40 C SER A 5 88.560 -17.941 16.455 1.00 6.18 C ATOM 41 O SER A 5 87.692 -17.092 16.493 1.00 5.98 O ATOM 42 CB SER A 5 88.687 -18.641 14.043 1.00 6.88 C ATOM 43 OG SER A 5 87.521 -17.972 13.583 1.00 7.08 O ATOM 0 H SER A 5 86.394 -19.151 14.953 1.00 7.40 H new ATOM 0 HA SER A 5 89.210 -19.848 15.787 1.00 6.85 H new ATOM 0 HB2 SER A 5 89.546 -17.971 14.000 1.00 6.88 H new ATOM 0 HB3 SER A 5 88.912 -19.490 13.397 1.00 6.88 H new ATOM 0 HG SER A 5 87.161 -17.410 14.301 1.00 7.08 H new ATOM 49 N PRO A 6 89.621 -17.935 17.216 1.00 6.22 N ATOM 50 CA PRO A 6 89.841 -16.854 18.208 1.00 5.97 C ATOM 51 C PRO A 6 90.246 -15.555 17.504 1.00 5.38 C ATOM 52 O PRO A 6 89.576 -14.547 17.608 1.00 5.73 O ATOM 53 CB PRO A 6 90.982 -17.386 19.070 1.00 6.64 C ATOM 54 CG PRO A 6 91.709 -18.360 18.197 1.00 7.02 C ATOM 55 CD PRO A 6 90.705 -18.923 17.224 1.00 6.89 C ATOM 0 HA PRO A 6 88.950 -16.617 18.789 1.00 5.97 H new ATOM 0 HB2 PRO A 6 91.640 -16.580 19.394 1.00 6.64 H new ATOM 0 HB3 PRO A 6 90.603 -17.870 19.970 1.00 6.64 H new ATOM 0 HG2 PRO A 6 92.524 -17.867 17.667 1.00 7.02 H new ATOM 0 HG3 PRO A 6 92.153 -19.156 18.795 1.00 7.02 H new ATOM 0 HD2 PRO A 6 91.138 -19.047 16.232 1.00 6.89 H new ATOM 0 HD3 PRO A 6 90.349 -19.903 17.541 1.00 6.89 H new ATOM 63 N GLY A 7 91.337 -15.572 16.789 1.00 4.87 N ATOM 64 CA GLY A 7 91.782 -14.338 16.081 1.00 4.71 C ATOM 65 C GLY A 7 91.918 -14.628 14.585 1.00 4.07 C ATOM 66 O GLY A 7 92.437 -15.652 14.187 1.00 4.25 O ATOM 0 H GLY A 7 91.939 -16.386 16.664 1.00 4.87 H new ATOM 0 HA2 GLY A 7 91.064 -13.534 16.242 1.00 4.71 H new ATOM 0 HA3 GLY A 7 92.736 -13.999 16.485 1.00 4.71 H new ATOM 70 N GLY A 8 91.455 -13.735 13.754 1.00 3.79 N ATOM 71 CA GLY A 8 91.560 -13.961 12.285 1.00 3.64 C ATOM 72 C GLY A 8 90.184 -13.785 11.640 1.00 2.97 C ATOM 73 O GLY A 8 89.781 -14.558 10.793 1.00 3.26 O ATOM 0 H GLY A 8 91.009 -12.860 14.028 1.00 3.79 H new ATOM 0 HA2 GLY A 8 92.270 -13.259 11.848 1.00 3.64 H new ATOM 0 HA3 GLY A 8 91.940 -14.963 12.087 1.00 3.64 H new ATOM 77 N LEU A 9 89.460 -12.772 12.031 1.00 2.80 N ATOM 78 CA LEU A 9 88.111 -12.547 11.437 1.00 2.94 C ATOM 79 C LEU A 9 88.238 -11.780 10.119 1.00 2.41 C ATOM 80 O LEU A 9 87.660 -12.150 9.116 1.00 2.65 O ATOM 81 CB LEU A 9 87.352 -11.713 12.471 1.00 3.89 C ATOM 82 CG LEU A 9 87.122 -12.542 13.737 1.00 4.85 C ATOM 83 CD1 LEU A 9 86.687 -13.958 13.355 1.00 5.49 C ATOM 84 CD2 LEU A 9 88.421 -12.608 14.545 1.00 5.52 C ATOM 0 H LEU A 9 89.744 -12.091 12.735 1.00 2.80 H new ATOM 0 HA LEU A 9 87.597 -13.482 11.215 1.00 2.94 H new ATOM 0 HB2 LEU A 9 87.918 -10.813 12.712 1.00 3.89 H new ATOM 0 HB3 LEU A 9 86.396 -11.388 12.059 1.00 3.89 H new ATOM 0 HG LEU A 9 86.341 -12.075 14.337 1.00 4.85 H new ATOM 0 HD11 LEU A 9 86.524 -14.545 14.259 1.00 5.49 H new ATOM 0 HD12 LEU A 9 85.762 -13.912 12.781 1.00 5.49 H new ATOM 0 HD13 LEU A 9 87.465 -14.427 12.753 1.00 5.49 H new ATOM 0 HD21 LEU A 9 88.259 -13.198 15.447 1.00 5.52 H new ATOM 0 HD22 LEU A 9 89.201 -13.073 13.942 1.00 5.52 H new ATOM 0 HD23 LEU A 9 88.729 -11.600 14.822 1.00 5.52 H new ATOM 96 N GLN A 10 88.991 -10.714 10.114 1.00 2.47 N ATOM 97 CA GLN A 10 89.157 -9.921 8.863 1.00 2.57 C ATOM 98 C GLN A 10 87.817 -9.796 8.133 1.00 2.48 C ATOM 99 O GLN A 10 87.714 -10.068 6.953 1.00 2.96 O ATOM 100 CB GLN A 10 90.155 -10.714 8.019 1.00 2.89 C ATOM 101 CG GLN A 10 91.448 -10.914 8.812 1.00 3.22 C ATOM 102 CD GLN A 10 92.609 -10.247 8.073 1.00 3.22 C ATOM 103 OE1 GLN A 10 93.432 -9.589 8.678 1.00 3.88 O ATOM 104 NE2 GLN A 10 92.709 -10.388 6.780 1.00 2.95 N ATOM 0 H GLN A 10 89.499 -10.358 10.923 1.00 2.47 H new ATOM 0 HA GLN A 10 89.506 -8.908 9.061 1.00 2.57 H new ATOM 0 HB2 GLN A 10 89.730 -11.680 7.746 1.00 2.89 H new ATOM 0 HB3 GLN A 10 90.364 -10.184 7.090 1.00 2.89 H new ATOM 0 HG2 GLN A 10 91.345 -10.487 9.810 1.00 3.22 H new ATOM 0 HG3 GLN A 10 91.648 -11.978 8.940 1.00 3.22 H new ATOM 0 HE21 GLN A 10 92.018 -10.940 6.272 1.00 2.95 H new ATOM 0 HE22 GLN A 10 93.478 -9.946 6.277 1.00 2.95 H new ATOM 113 N LYS A 11 86.790 -9.389 8.826 1.00 2.32 N ATOM 114 CA LYS A 11 85.458 -9.249 8.171 1.00 2.27 C ATOM 115 C LYS A 11 84.876 -7.859 8.444 1.00 2.18 C ATOM 116 O LYS A 11 83.808 -7.518 7.977 1.00 2.67 O ATOM 117 CB LYS A 11 84.587 -10.330 8.812 1.00 2.54 C ATOM 118 CG LYS A 11 84.489 -10.079 10.317 1.00 2.82 C ATOM 119 CD LYS A 11 83.261 -10.800 10.876 1.00 3.08 C ATOM 120 CE LYS A 11 83.652 -12.216 11.306 1.00 3.90 C ATOM 121 NZ LYS A 11 82.651 -12.592 12.342 1.00 4.18 N ATOM 0 H LYS A 11 86.815 -9.147 9.817 1.00 2.32 H new ATOM 0 HA LYS A 11 85.517 -9.360 7.088 1.00 2.27 H new ATOM 0 HB2 LYS A 11 83.593 -10.323 8.366 1.00 2.54 H new ATOM 0 HB3 LYS A 11 85.014 -11.315 8.624 1.00 2.54 H new ATOM 0 HG2 LYS A 11 85.391 -10.435 10.815 1.00 2.82 H new ATOM 0 HG3 LYS A 11 84.417 -9.009 10.514 1.00 2.82 H new ATOM 0 HD2 LYS A 11 82.858 -10.249 11.726 1.00 3.08 H new ATOM 0 HD3 LYS A 11 82.476 -10.841 10.121 1.00 3.08 H new ATOM 0 HE2 LYS A 11 83.626 -12.906 10.463 1.00 3.90 H new ATOM 0 HE3 LYS A 11 84.665 -12.241 11.708 1.00 3.90 H new ATOM 0 HZ1 LYS A 11 82.852 -13.552 12.687 1.00 4.18 H new ATOM 0 HZ2 LYS A 11 82.703 -11.921 13.135 1.00 4.18 H new ATOM 0 HZ3 LYS A 11 81.697 -12.566 11.929 1.00 4.18 H new ATOM 135 N ARG A 12 85.572 -7.054 9.199 1.00 2.11 N ATOM 136 CA ARG A 12 85.061 -5.687 9.503 1.00 2.06 C ATOM 137 C ARG A 12 86.225 -4.769 9.883 1.00 1.98 C ATOM 138 O ARG A 12 86.571 -4.641 11.041 1.00 2.20 O ATOM 139 CB ARG A 12 84.115 -5.872 10.689 1.00 2.38 C ATOM 140 CG ARG A 12 82.676 -5.614 10.237 1.00 2.97 C ATOM 141 CD ARG A 12 81.855 -5.093 11.419 1.00 3.38 C ATOM 142 NE ARG A 12 81.698 -6.265 12.323 1.00 3.56 N ATOM 143 CZ ARG A 12 81.199 -6.105 13.518 1.00 3.99 C ATOM 144 NH1 ARG A 12 81.600 -5.113 14.264 1.00 4.36 N ATOM 145 NH2 ARG A 12 80.299 -6.937 13.966 1.00 4.39 N ATOM 0 H ARG A 12 86.473 -7.284 9.619 1.00 2.11 H new ATOM 0 HA ARG A 12 84.558 -5.232 8.650 1.00 2.06 H new ATOM 0 HB2 ARG A 12 84.207 -6.882 11.087 1.00 2.38 H new ATOM 0 HB3 ARG A 12 84.384 -5.187 11.493 1.00 2.38 H new ATOM 0 HG2 ARG A 12 82.664 -4.888 9.424 1.00 2.97 H new ATOM 0 HG3 ARG A 12 82.235 -6.533 9.851 1.00 2.97 H new ATOM 0 HD2 ARG A 12 82.365 -4.271 11.922 1.00 3.38 H new ATOM 0 HD3 ARG A 12 80.887 -4.714 11.091 1.00 3.38 H new ATOM 0 HE ARG A 12 81.980 -7.193 12.008 1.00 3.56 H new ATOM 0 HH11 ARG A 12 82.303 -4.463 13.913 1.00 4.36 H new ATOM 0 HH12 ARG A 12 81.210 -4.987 15.198 1.00 4.36 H new ATOM 0 HH21 ARG A 12 79.986 -7.712 13.382 1.00 4.39 H new ATOM 0 HH22 ARG A 12 79.909 -6.812 14.900 1.00 4.39 H new ATOM 159 N HIS A 13 86.838 -4.132 8.921 1.00 1.90 N ATOM 160 CA HIS A 13 87.981 -3.234 9.242 1.00 1.93 C ATOM 161 C HIS A 13 87.481 -1.882 9.729 1.00 1.94 C ATOM 162 O HIS A 13 88.227 -0.927 9.805 1.00 2.18 O ATOM 163 CB HIS A 13 88.761 -3.093 7.928 1.00 1.98 C ATOM 164 CG HIS A 13 88.129 -2.077 7.011 1.00 1.90 C ATOM 165 ND1 HIS A 13 86.940 -1.418 7.294 1.00 2.39 N ATOM 166 CD2 HIS A 13 88.538 -1.595 5.799 1.00 1.81 C ATOM 167 CE1 HIS A 13 86.689 -0.578 6.274 1.00 2.64 C ATOM 168 NE2 HIS A 13 87.632 -0.647 5.333 1.00 2.24 N ATOM 0 H HIS A 13 86.597 -4.195 7.932 1.00 1.90 H new ATOM 0 HA HIS A 13 88.606 -3.635 10.040 1.00 1.93 H new ATOM 0 HB2 HIS A 13 89.788 -2.799 8.144 1.00 1.98 H new ATOM 0 HB3 HIS A 13 88.805 -4.059 7.425 1.00 1.98 H new ATOM 0 HD2 HIS A 13 89.433 -1.904 5.279 1.00 1.81 H new ATOM 0 HE1 HIS A 13 85.829 0.073 6.223 1.00 2.64 H new ATOM 0 HE2 HIS A 13 87.679 -0.119 4.461 1.00 2.24 H new ATOM 176 N ALA A 14 86.220 -1.784 10.042 1.00 1.98 N ATOM 177 CA ALA A 14 85.678 -0.481 10.499 1.00 2.00 C ATOM 178 C ALA A 14 84.155 -0.519 10.543 1.00 2.01 C ATOM 179 O ALA A 14 83.515 -0.923 9.593 1.00 2.01 O ATOM 180 CB ALA A 14 86.118 0.509 9.421 1.00 1.86 C ATOM 0 H ALA A 14 85.546 -2.548 10.001 1.00 1.98 H new ATOM 0 HA ALA A 14 86.029 -0.222 11.498 1.00 2.00 H new ATOM 0 HB1 ALA A 14 85.760 1.507 9.675 1.00 1.86 H new ATOM 0 HB2 ALA A 14 87.206 0.519 9.358 1.00 1.86 H new ATOM 0 HB3 ALA A 14 85.702 0.209 8.459 1.00 1.86 H new ATOM 186 N ARG A 15 83.559 -0.063 11.607 1.00 2.16 N ATOM 187 CA ARG A 15 82.076 -0.042 11.635 1.00 2.22 C ATOM 188 C ARG A 15 81.639 1.026 10.638 1.00 2.25 C ATOM 189 O ARG A 15 81.167 2.085 11.001 1.00 2.47 O ATOM 190 CB ARG A 15 81.696 0.348 13.065 1.00 2.52 C ATOM 191 CG ARG A 15 80.179 0.248 13.235 1.00 2.91 C ATOM 192 CD ARG A 15 79.729 1.175 14.367 1.00 3.48 C ATOM 193 NE ARG A 15 79.708 0.316 15.583 1.00 3.86 N ATOM 194 CZ ARG A 15 80.129 0.789 16.724 1.00 4.39 C ATOM 195 NH1 ARG A 15 81.409 0.928 16.940 1.00 4.91 N ATOM 196 NH2 ARG A 15 79.271 1.124 17.648 1.00 4.74 N ATOM 0 H ARG A 15 84.025 0.290 12.443 1.00 2.16 H new ATOM 0 HA ARG A 15 81.608 -0.990 11.371 1.00 2.22 H new ATOM 0 HB2 ARG A 15 82.196 -0.308 13.777 1.00 2.52 H new ATOM 0 HB3 ARG A 15 82.030 1.363 13.277 1.00 2.52 H new ATOM 0 HG2 ARG A 15 79.680 0.522 12.306 1.00 2.91 H new ATOM 0 HG3 ARG A 15 79.895 -0.780 13.458 1.00 2.91 H new ATOM 0 HD2 ARG A 15 80.416 2.013 14.487 1.00 3.48 H new ATOM 0 HD3 ARG A 15 78.744 1.596 14.164 1.00 3.48 H new ATOM 0 HE ARG A 15 79.364 -0.643 15.524 1.00 3.86 H new ATOM 0 HH11 ARG A 15 82.080 0.667 16.217 1.00 4.91 H new ATOM 0 HH12 ARG A 15 81.739 1.298 17.832 1.00 4.91 H new ATOM 0 HH21 ARG A 15 78.271 1.016 17.479 1.00 4.74 H new ATOM 0 HH22 ARG A 15 79.600 1.494 18.540 1.00 4.74 H new ATOM 210 N VAL A 16 81.842 0.759 9.377 1.00 2.20 N ATOM 211 CA VAL A 16 81.496 1.754 8.334 1.00 2.45 C ATOM 212 C VAL A 16 80.309 1.288 7.507 1.00 2.18 C ATOM 213 O VAL A 16 80.440 0.522 6.573 1.00 2.33 O ATOM 214 CB VAL A 16 82.743 1.857 7.458 1.00 2.98 C ATOM 215 CG1 VAL A 16 83.836 2.606 8.217 1.00 3.49 C ATOM 216 CG2 VAL A 16 83.241 0.453 7.108 1.00 2.93 C ATOM 0 H VAL A 16 82.236 -0.114 9.026 1.00 2.20 H new ATOM 0 HA VAL A 16 81.213 2.712 8.770 1.00 2.45 H new ATOM 0 HB VAL A 16 82.498 2.395 6.542 1.00 2.98 H new ATOM 0 HG11 VAL A 16 84.727 2.680 7.593 1.00 3.49 H new ATOM 0 HG12 VAL A 16 83.484 3.607 8.468 1.00 3.49 H new ATOM 0 HG13 VAL A 16 84.078 2.066 9.133 1.00 3.49 H new ATOM 0 HG21 VAL A 16 84.131 0.528 6.483 1.00 2.93 H new ATOM 0 HG22 VAL A 16 83.485 -0.085 8.024 1.00 2.93 H new ATOM 0 HG23 VAL A 16 82.462 -0.085 6.568 1.00 2.93 H new HETATM 226 N TPO A 17 79.163 1.789 7.829 1.00 1.96 N HETATM 227 CA TPO A 17 77.968 1.463 7.093 1.00 1.76 C HETATM 228 CB TPO A 17 77.105 0.810 8.172 1.00 1.85 C HETATM 229 CG2 TPO A 17 75.784 0.460 7.509 1.00 1.77 C HETATM 230 OG1 TPO A 17 77.882 -0.294 8.595 1.00 2.07 O HETATM 231 P TPO A 17 77.361 -1.156 9.871 1.00 2.19 P HETATM 232 O1P TPO A 17 78.301 -0.764 11.077 1.00 3.01 O HETATM 233 O2P TPO A 17 77.503 -2.705 9.502 1.00 2.45 O HETATM 234 O3P TPO A 17 75.843 -0.685 10.127 1.00 2.57 O HETATM 235 C TPO A 17 77.361 2.790 6.677 1.00 1.62 C HETATM 236 O TPO A 17 77.323 3.772 7.391 1.00 1.75 O HETATM 0 HG23 TPO A 17 75.315 1.368 7.130 1.00 1.77 H new HETATM 0 HG22 TPO A 17 75.963 -0.228 6.682 1.00 1.77 H new HETATM 0 HG21 TPO A 17 75.125 -0.012 8.238 1.00 1.77 H new HETATM 0 HB TPO A 17 76.853 1.413 9.044 1.00 1.85 H new HETATM 0 HA TPO A 17 78.094 0.834 6.212 1.00 1.76 H new ATOM 243 N VAL A 18 76.954 2.743 5.470 1.00 1.48 N ATOM 244 CA VAL A 18 76.377 3.933 4.826 1.00 1.39 C ATOM 245 C VAL A 18 75.027 4.285 5.436 1.00 1.48 C ATOM 246 O VAL A 18 74.179 3.437 5.630 1.00 1.63 O ATOM 247 CB VAL A 18 76.201 3.531 3.366 1.00 1.29 C ATOM 248 CG1 VAL A 18 76.983 4.490 2.492 1.00 1.58 C ATOM 249 CG2 VAL A 18 76.712 2.109 3.111 1.00 1.47 C ATOM 0 H VAL A 18 76.994 1.912 4.879 1.00 1.48 H new ATOM 0 HA VAL A 18 77.012 4.810 4.950 1.00 1.39 H new ATOM 0 HB VAL A 18 75.137 3.565 3.130 1.00 1.29 H new ATOM 0 HG11 VAL A 18 76.862 4.209 1.446 1.00 1.58 H new ATOM 0 HG12 VAL A 18 76.611 5.504 2.641 1.00 1.58 H new ATOM 0 HG13 VAL A 18 78.039 4.448 2.760 1.00 1.58 H new ATOM 0 HG21 VAL A 18 76.571 1.855 2.060 1.00 1.47 H new ATOM 0 HG22 VAL A 18 77.772 2.053 3.359 1.00 1.47 H new ATOM 0 HG23 VAL A 18 76.157 1.406 3.732 1.00 1.47 H new ATOM 259 N LYS A 19 74.807 5.542 5.707 1.00 1.51 N ATOM 260 CA LYS A 19 73.504 5.950 6.263 1.00 1.68 C ATOM 261 C LYS A 19 72.648 6.448 5.113 1.00 1.55 C ATOM 262 O LYS A 19 72.329 7.616 5.007 1.00 1.62 O ATOM 263 CB LYS A 19 73.813 7.078 7.248 1.00 1.95 C ATOM 264 CG LYS A 19 74.983 6.669 8.144 1.00 2.48 C ATOM 265 CD LYS A 19 74.589 6.847 9.612 1.00 2.87 C ATOM 266 CE LYS A 19 75.355 8.030 10.207 1.00 3.39 C ATOM 267 NZ LYS A 19 74.682 8.310 11.506 1.00 3.77 N ATOM 0 H LYS A 19 75.478 6.297 5.565 1.00 1.51 H new ATOM 0 HA LYS A 19 72.970 5.143 6.765 1.00 1.68 H new ATOM 0 HB2 LYS A 19 74.059 7.991 6.706 1.00 1.95 H new ATOM 0 HB3 LYS A 19 72.935 7.295 7.856 1.00 1.95 H new ATOM 0 HG2 LYS A 19 75.255 5.631 7.953 1.00 2.48 H new ATOM 0 HG3 LYS A 19 75.859 7.276 7.916 1.00 2.48 H new ATOM 0 HD2 LYS A 19 73.515 7.018 9.693 1.00 2.87 H new ATOM 0 HD3 LYS A 19 74.811 5.938 10.172 1.00 2.87 H new ATOM 0 HE2 LYS A 19 76.407 7.786 10.352 1.00 3.39 H new ATOM 0 HE3 LYS A 19 75.317 8.897 9.548 1.00 3.39 H new ATOM 0 HZ1 LYS A 19 75.152 9.111 11.975 1.00 3.77 H new ATOM 0 HZ2 LYS A 19 73.683 8.546 11.336 1.00 3.77 H new ATOM 0 HZ3 LYS A 19 74.740 7.469 12.115 1.00 3.77 H new ATOM 281 N TYR A 20 72.270 5.553 4.254 1.00 1.52 N ATOM 282 CA TYR A 20 71.425 5.931 3.101 1.00 1.53 C ATOM 283 C TYR A 20 70.275 4.948 3.014 1.00 1.72 C ATOM 284 O TYR A 20 70.210 4.141 2.119 1.00 1.86 O ATOM 285 CB TYR A 20 72.323 5.799 1.873 1.00 1.50 C ATOM 286 CG TYR A 20 73.530 6.687 2.029 1.00 1.26 C ATOM 287 CD1 TYR A 20 74.513 6.367 2.967 1.00 1.62 C ATOM 288 CD2 TYR A 20 73.668 7.826 1.232 1.00 1.39 C ATOM 289 CE1 TYR A 20 75.638 7.188 3.110 1.00 1.51 C ATOM 290 CE2 TYR A 20 74.790 8.647 1.374 1.00 1.43 C ATOM 291 CZ TYR A 20 75.777 8.328 2.313 1.00 1.17 C ATOM 292 OH TYR A 20 76.886 9.138 2.453 1.00 1.31 O ATOM 0 H TYR A 20 72.514 4.564 4.303 1.00 1.52 H new ATOM 0 HA TYR A 20 71.018 6.939 3.184 1.00 1.53 H new ATOM 0 HB2 TYR A 20 72.636 4.762 1.749 1.00 1.50 H new ATOM 0 HB3 TYR A 20 71.770 6.075 0.975 1.00 1.50 H new ATOM 0 HD1 TYR A 20 74.406 5.486 3.582 1.00 1.62 H new ATOM 0 HD2 TYR A 20 72.907 8.072 0.506 1.00 1.39 H new ATOM 0 HE1 TYR A 20 76.398 6.941 3.836 1.00 1.51 H new ATOM 0 HE2 TYR A 20 74.895 9.528 0.759 1.00 1.43 H new ATOM 0 HH TYR A 20 77.651 8.598 2.743 1.00 1.31 H new ATOM 302 N ASP A 21 69.380 4.999 3.949 1.00 1.80 N ATOM 303 CA ASP A 21 68.233 4.046 3.926 1.00 2.01 C ATOM 304 C ASP A 21 66.918 4.803 3.720 1.00 2.19 C ATOM 305 O ASP A 21 65.851 4.305 4.018 1.00 2.40 O ATOM 306 CB ASP A 21 68.253 3.370 5.298 1.00 2.23 C ATOM 307 CG ASP A 21 69.484 2.469 5.404 1.00 2.31 C ATOM 308 OD1 ASP A 21 69.680 1.659 4.513 1.00 2.61 O ATOM 309 OD2 ASP A 21 70.211 2.604 6.375 1.00 2.74 O ATOM 0 H ASP A 21 69.387 5.655 4.730 1.00 1.80 H new ATOM 0 HA ASP A 21 68.313 3.324 3.114 1.00 2.01 H new ATOM 0 HB2 ASP A 21 68.271 4.123 6.086 1.00 2.23 H new ATOM 0 HB3 ASP A 21 67.346 2.783 5.439 1.00 2.23 H new ATOM 314 N ARG A 22 66.987 6.004 3.214 1.00 2.21 N ATOM 315 CA ARG A 22 65.739 6.790 2.992 1.00 2.48 C ATOM 316 C ARG A 22 65.918 7.747 1.811 1.00 2.25 C ATOM 317 O ARG A 22 66.375 8.862 1.966 1.00 2.83 O ATOM 318 CB ARG A 22 65.530 7.573 4.289 1.00 3.06 C ATOM 319 CG ARG A 22 64.283 8.450 4.161 1.00 3.68 C ATOM 320 CD ARG A 22 63.442 8.332 5.434 1.00 4.35 C ATOM 321 NE ARG A 22 62.356 9.339 5.273 1.00 4.88 N ATOM 322 CZ ARG A 22 61.132 9.039 5.611 1.00 5.39 C ATOM 323 NH1 ARG A 22 60.365 8.391 4.779 1.00 5.82 N ATOM 324 NH2 ARG A 22 60.675 9.388 6.783 1.00 5.77 N ATOM 0 H ARG A 22 67.851 6.475 2.945 1.00 2.21 H new ATOM 0 HA ARG A 22 64.886 6.153 2.757 1.00 2.48 H new ATOM 0 HB2 ARG A 22 65.419 6.885 5.127 1.00 3.06 H new ATOM 0 HB3 ARG A 22 66.403 8.192 4.497 1.00 3.06 H new ATOM 0 HG2 ARG A 22 64.571 9.488 3.998 1.00 3.68 H new ATOM 0 HG3 ARG A 22 63.696 8.142 3.295 1.00 3.68 H new ATOM 0 HD2 ARG A 22 63.035 7.327 5.546 1.00 4.35 H new ATOM 0 HD3 ARG A 22 64.040 8.535 6.322 1.00 4.35 H new ATOM 0 HE ARG A 22 62.569 10.263 4.898 1.00 4.88 H new ATOM 0 HH11 ARG A 22 60.722 8.118 3.863 1.00 5.82 H new ATOM 0 HH12 ARG A 22 59.408 8.157 5.044 1.00 5.82 H new ATOM 0 HH21 ARG A 22 61.275 9.895 7.434 1.00 5.77 H new ATOM 0 HH22 ARG A 22 59.718 9.154 7.048 1.00 5.77 H new ATOM 338 N ARG A 23 65.560 7.320 0.631 1.00 2.07 N ATOM 339 CA ARG A 23 65.709 8.207 -0.559 1.00 2.34 C ATOM 340 C ARG A 23 65.120 7.531 -1.801 1.00 2.19 C ATOM 341 O ARG A 23 64.786 6.363 -1.784 1.00 2.69 O ATOM 342 CB ARG A 23 67.217 8.400 -0.719 1.00 2.91 C ATOM 343 CG ARG A 23 67.489 9.616 -1.607 1.00 3.36 C ATOM 344 CD ARG A 23 66.840 10.857 -0.990 1.00 4.20 C ATOM 345 NE ARG A 23 67.253 10.834 0.441 1.00 4.86 N ATOM 346 CZ ARG A 23 66.527 11.442 1.340 1.00 5.46 C ATOM 347 NH1 ARG A 23 65.551 12.225 0.971 1.00 5.90 N ATOM 348 NH2 ARG A 23 66.779 11.267 2.609 1.00 5.86 N ATOM 0 H ARG A 23 65.171 6.397 0.439 1.00 2.07 H new ATOM 0 HA ARG A 23 65.186 9.155 -0.436 1.00 2.34 H new ATOM 0 HB2 ARG A 23 67.681 8.539 0.257 1.00 2.91 H new ATOM 0 HB3 ARG A 23 67.663 7.508 -1.160 1.00 2.91 H new ATOM 0 HG2 ARG A 23 68.563 9.769 -1.712 1.00 3.36 H new ATOM 0 HG3 ARG A 23 67.092 9.445 -2.607 1.00 3.36 H new ATOM 0 HD2 ARG A 23 67.179 11.767 -1.484 1.00 4.20 H new ATOM 0 HD3 ARG A 23 65.755 10.826 -1.089 1.00 4.20 H new ATOM 0 HE ARG A 23 68.103 10.343 0.719 1.00 4.86 H new ATOM 0 HH11 ARG A 23 65.355 12.363 -0.020 1.00 5.90 H new ATOM 0 HH12 ARG A 23 64.984 12.700 1.674 1.00 5.90 H new ATOM 0 HH21 ARG A 23 67.543 10.656 2.898 1.00 5.86 H new ATOM 0 HH22 ARG A 23 66.212 11.742 3.312 1.00 5.86 H new ATOM 362 N GLU A 24 64.992 8.257 -2.878 1.00 2.16 N ATOM 363 CA GLU A 24 64.425 7.657 -4.120 1.00 2.31 C ATOM 364 C GLU A 24 65.479 6.795 -4.822 1.00 2.11 C ATOM 365 O GLU A 24 65.159 5.934 -5.617 1.00 2.57 O ATOM 366 CB GLU A 24 64.038 8.850 -4.994 1.00 2.67 C ATOM 367 CG GLU A 24 62.519 9.029 -4.972 1.00 3.19 C ATOM 368 CD GLU A 24 62.061 9.339 -3.546 1.00 3.83 C ATOM 369 OE1 GLU A 24 62.707 10.148 -2.901 1.00 4.23 O ATOM 370 OE2 GLU A 24 61.073 8.762 -3.123 1.00 4.32 O ATOM 0 H GLU A 24 65.255 9.240 -2.952 1.00 2.16 H new ATOM 0 HA GLU A 24 63.573 7.009 -3.914 1.00 2.31 H new ATOM 0 HB2 GLU A 24 64.526 9.754 -4.630 1.00 2.67 H new ATOM 0 HB3 GLU A 24 64.381 8.692 -6.016 1.00 2.67 H new ATOM 0 HG2 GLU A 24 62.228 9.838 -5.642 1.00 3.19 H new ATOM 0 HG3 GLU A 24 62.031 8.124 -5.333 1.00 3.19 H new ATOM 377 N LEU A 25 66.732 7.020 -4.535 1.00 1.83 N ATOM 378 CA LEU A 25 67.801 6.210 -5.190 1.00 1.70 C ATOM 379 C LEU A 25 67.499 4.717 -5.033 1.00 1.63 C ATOM 380 O LEU A 25 66.465 4.334 -4.524 1.00 2.16 O ATOM 381 CB LEU A 25 69.090 6.583 -4.454 1.00 1.64 C ATOM 382 CG LEU A 25 68.922 6.320 -2.957 1.00 1.60 C ATOM 383 CD1 LEU A 25 69.422 4.915 -2.628 1.00 2.20 C ATOM 384 CD2 LEU A 25 69.736 7.345 -2.165 1.00 1.74 C ATOM 0 H LEU A 25 67.062 7.727 -3.878 1.00 1.83 H new ATOM 0 HA LEU A 25 67.875 6.407 -6.259 1.00 1.70 H new ATOM 0 HB2 LEU A 25 69.925 6.001 -4.844 1.00 1.64 H new ATOM 0 HB3 LEU A 25 69.327 7.633 -4.624 1.00 1.64 H new ATOM 0 HG LEU A 25 67.869 6.405 -2.690 1.00 1.60 H new ATOM 0 HD11 LEU A 25 69.303 4.727 -1.561 1.00 2.20 H new ATOM 0 HD12 LEU A 25 68.845 4.182 -3.192 1.00 2.20 H new ATOM 0 HD13 LEU A 25 70.475 4.832 -2.895 1.00 2.20 H new ATOM 0 HD21 LEU A 25 69.617 7.158 -1.098 1.00 1.74 H new ATOM 0 HD22 LEU A 25 70.789 7.259 -2.433 1.00 1.74 H new ATOM 0 HD23 LEU A 25 69.383 8.349 -2.399 1.00 1.74 H new ATOM 396 N GLN A 26 68.391 3.869 -5.470 1.00 1.51 N ATOM 397 CA GLN A 26 68.145 2.402 -5.346 1.00 1.62 C ATOM 398 C GLN A 26 69.394 1.691 -4.817 1.00 1.51 C ATOM 399 O GLN A 26 69.530 0.489 -4.933 1.00 1.69 O ATOM 400 CB GLN A 26 67.825 1.934 -6.766 1.00 1.88 C ATOM 401 CG GLN A 26 66.351 2.205 -7.074 1.00 2.24 C ATOM 402 CD GLN A 26 66.244 3.173 -8.254 1.00 2.21 C ATOM 403 OE1 GLN A 26 66.320 2.767 -9.396 1.00 2.42 O ATOM 404 NE2 GLN A 26 66.071 4.446 -8.024 1.00 2.48 N ATOM 0 H GLN A 26 69.276 4.127 -5.906 1.00 1.51 H new ATOM 0 HA GLN A 26 67.338 2.180 -4.648 1.00 1.62 H new ATOM 0 HB2 GLN A 26 68.459 2.455 -7.483 1.00 1.88 H new ATOM 0 HB3 GLN A 26 68.039 0.870 -6.866 1.00 1.88 H new ATOM 0 HG2 GLN A 26 65.840 1.271 -7.309 1.00 2.24 H new ATOM 0 HG3 GLN A 26 65.857 2.627 -6.198 1.00 2.24 H new ATOM 0 HE21 GLN A 26 66.007 4.787 -7.065 1.00 2.48 H new ATOM 0 HE22 GLN A 26 66.000 5.100 -8.803 1.00 2.48 H new ATOM 413 N ARG A 27 70.307 2.420 -4.237 1.00 1.31 N ATOM 414 CA ARG A 27 71.544 1.778 -3.704 1.00 1.24 C ATOM 415 C ARG A 27 71.608 1.930 -2.178 1.00 1.20 C ATOM 416 O ARG A 27 72.652 1.784 -1.575 1.00 1.19 O ATOM 417 CB ARG A 27 72.706 2.523 -4.371 1.00 1.12 C ATOM 418 CG ARG A 27 72.368 2.816 -5.837 1.00 1.11 C ATOM 419 CD ARG A 27 71.773 1.564 -6.487 1.00 1.65 C ATOM 420 NE ARG A 27 72.580 1.352 -7.720 1.00 2.17 N ATOM 421 CZ ARG A 27 72.178 0.501 -8.625 1.00 2.86 C ATOM 422 NH1 ARG A 27 71.116 0.758 -9.337 1.00 3.42 N ATOM 423 NH2 ARG A 27 72.840 -0.608 -8.817 1.00 3.28 N ATOM 0 H ARG A 27 70.251 3.430 -4.109 1.00 1.31 H new ATOM 0 HA ARG A 27 71.575 0.709 -3.917 1.00 1.24 H new ATOM 0 HB2 ARG A 27 72.903 3.455 -3.841 1.00 1.12 H new ATOM 0 HB3 ARG A 27 73.615 1.924 -4.311 1.00 1.12 H new ATOM 0 HG2 ARG A 27 71.660 3.642 -5.899 1.00 1.11 H new ATOM 0 HG3 ARG A 27 73.266 3.125 -6.373 1.00 1.11 H new ATOM 0 HD2 ARG A 27 71.837 0.704 -5.820 1.00 1.65 H new ATOM 0 HD3 ARG A 27 70.719 1.705 -6.724 1.00 1.65 H new ATOM 0 HE ARG A 27 73.447 1.872 -7.858 1.00 2.17 H new ATOM 0 HH11 ARG A 27 70.599 1.624 -9.187 1.00 3.42 H new ATOM 0 HH12 ARG A 27 70.803 0.093 -10.044 1.00 3.42 H new ATOM 0 HH21 ARG A 27 73.671 -0.809 -8.260 1.00 3.28 H new ATOM 0 HH22 ARG A 27 72.526 -1.273 -9.524 1.00 3.28 H new ATOM 437 N ARG A 28 70.499 2.225 -1.550 1.00 1.27 N ATOM 438 CA ARG A 28 70.503 2.388 -0.061 1.00 1.31 C ATOM 439 C ARG A 28 70.492 1.017 0.635 1.00 1.46 C ATOM 440 O ARG A 28 71.372 0.696 1.426 1.00 1.52 O ATOM 441 CB ARG A 28 69.236 3.185 0.273 1.00 1.43 C ATOM 442 CG ARG A 28 68.086 2.793 -0.661 1.00 2.05 C ATOM 443 CD ARG A 28 66.772 2.788 0.123 1.00 2.33 C ATOM 444 NE ARG A 28 65.828 1.999 -0.716 1.00 2.94 N ATOM 445 CZ ARG A 28 64.592 1.834 -0.330 1.00 3.55 C ATOM 446 NH1 ARG A 28 64.267 2.031 0.919 1.00 3.83 N ATOM 447 NH2 ARG A 28 63.681 1.473 -1.192 1.00 4.20 N ATOM 0 H ARG A 28 69.593 2.360 -1.999 1.00 1.27 H new ATOM 0 HA ARG A 28 71.399 2.903 0.286 1.00 1.31 H new ATOM 0 HB2 ARG A 28 68.948 3.002 1.308 1.00 1.43 H new ATOM 0 HB3 ARG A 28 69.437 4.252 0.182 1.00 1.43 H new ATOM 0 HG2 ARG A 28 68.023 3.495 -1.493 1.00 2.05 H new ATOM 0 HG3 ARG A 28 68.270 1.808 -1.089 1.00 2.05 H new ATOM 0 HD2 ARG A 28 66.900 2.335 1.106 1.00 2.33 H new ATOM 0 HD3 ARG A 28 66.405 3.801 0.285 1.00 2.33 H new ATOM 0 HE ARG A 28 66.147 1.587 -1.593 1.00 2.94 H new ATOM 0 HH11 ARG A 28 64.979 2.314 1.593 1.00 3.83 H new ATOM 0 HH12 ARG A 28 63.301 1.902 1.221 1.00 3.83 H new ATOM 0 HH21 ARG A 28 63.935 1.320 -2.168 1.00 4.20 H new ATOM 0 HH22 ARG A 28 62.715 1.344 -0.890 1.00 4.20 H new ATOM 461 N LEU A 29 69.523 0.190 0.341 1.00 1.57 N ATOM 462 CA LEU A 29 69.501 -1.155 0.979 1.00 1.75 C ATOM 463 C LEU A 29 70.859 -1.800 0.736 1.00 1.70 C ATOM 464 O LEU A 29 71.473 -2.363 1.623 1.00 1.77 O ATOM 465 CB LEU A 29 68.391 -1.928 0.263 1.00 1.91 C ATOM 466 CG LEU A 29 67.042 -1.589 0.898 1.00 2.31 C ATOM 467 CD1 LEU A 29 67.110 -1.829 2.407 1.00 3.14 C ATOM 468 CD2 LEU A 29 66.710 -0.119 0.632 1.00 2.50 C ATOM 0 H LEU A 29 68.757 0.385 -0.304 1.00 1.57 H new ATOM 0 HA LEU A 29 69.317 -1.129 2.053 1.00 1.75 H new ATOM 0 HB2 LEU A 29 68.381 -1.673 -0.797 1.00 1.91 H new ATOM 0 HB3 LEU A 29 68.578 -3.000 0.331 1.00 1.91 H new ATOM 0 HG LEU A 29 66.269 -2.223 0.465 1.00 2.31 H new ATOM 0 HD11 LEU A 29 66.148 -1.587 2.858 1.00 3.14 H new ATOM 0 HD12 LEU A 29 67.347 -2.875 2.599 1.00 3.14 H new ATOM 0 HD13 LEU A 29 67.884 -1.196 2.842 1.00 3.14 H new ATOM 0 HD21 LEU A 29 65.748 0.124 1.084 1.00 2.50 H new ATOM 0 HD22 LEU A 29 67.485 0.513 1.065 1.00 2.50 H new ATOM 0 HD23 LEU A 29 66.660 0.054 -0.443 1.00 2.50 H new ATOM 480 N ASP A 30 71.344 -1.675 -0.465 1.00 1.60 N ATOM 481 CA ASP A 30 72.680 -2.223 -0.799 1.00 1.58 C ATOM 482 C ASP A 30 73.738 -1.397 -0.071 1.00 1.43 C ATOM 483 O ASP A 30 74.836 -1.848 0.174 1.00 1.46 O ATOM 484 CB ASP A 30 72.813 -2.066 -2.314 1.00 1.54 C ATOM 485 CG ASP A 30 73.465 -3.319 -2.903 1.00 1.88 C ATOM 486 OD1 ASP A 30 74.454 -3.765 -2.345 1.00 2.43 O ATOM 487 OD2 ASP A 30 72.964 -3.810 -3.901 1.00 2.38 O ATOM 0 H ASP A 30 70.865 -1.211 -1.236 1.00 1.60 H new ATOM 0 HA ASP A 30 72.805 -3.264 -0.502 1.00 1.58 H new ATOM 0 HB2 ASP A 30 71.831 -1.910 -2.761 1.00 1.54 H new ATOM 0 HB3 ASP A 30 73.414 -1.187 -2.548 1.00 1.54 H new ATOM 492 N VAL A 31 73.410 -0.178 0.271 1.00 1.32 N ATOM 493 CA VAL A 31 74.396 0.689 0.972 1.00 1.22 C ATOM 494 C VAL A 31 74.893 -0.016 2.239 1.00 1.34 C ATOM 495 O VAL A 31 76.083 -0.227 2.434 1.00 1.31 O ATOM 496 CB VAL A 31 73.603 1.965 1.309 1.00 1.26 C ATOM 497 CG1 VAL A 31 73.291 2.046 2.807 1.00 1.52 C ATOM 498 CG2 VAL A 31 74.413 3.191 0.910 1.00 1.37 C ATOM 0 H VAL A 31 72.502 0.252 0.094 1.00 1.32 H new ATOM 0 HA VAL A 31 75.281 0.911 0.376 1.00 1.22 H new ATOM 0 HB VAL A 31 72.664 1.932 0.756 1.00 1.26 H new ATOM 0 HG11 VAL A 31 72.730 2.958 3.013 1.00 1.52 H new ATOM 0 HG12 VAL A 31 72.698 1.181 3.102 1.00 1.52 H new ATOM 0 HG13 VAL A 31 74.223 2.057 3.373 1.00 1.52 H new ATOM 0 HG21 VAL A 31 73.850 4.093 1.149 1.00 1.37 H new ATOM 0 HG22 VAL A 31 75.357 3.197 1.456 1.00 1.37 H new ATOM 0 HG23 VAL A 31 74.613 3.162 -0.161 1.00 1.37 H new ATOM 508 N GLU A 32 73.997 -0.404 3.092 1.00 1.53 N ATOM 509 CA GLU A 32 74.431 -1.100 4.335 1.00 1.71 C ATOM 510 C GLU A 32 74.918 -2.515 4.011 1.00 1.78 C ATOM 511 O GLU A 32 75.850 -3.017 4.614 1.00 1.84 O ATOM 512 CB GLU A 32 73.188 -1.134 5.221 1.00 1.89 C ATOM 513 CG GLU A 32 72.846 0.291 5.663 1.00 1.92 C ATOM 514 CD GLU A 32 71.697 0.253 6.672 1.00 2.07 C ATOM 515 OE1 GLU A 32 70.734 -0.452 6.417 1.00 2.39 O ATOM 516 OE2 GLU A 32 71.799 0.928 7.683 1.00 2.39 O ATOM 0 H GLU A 32 72.991 -0.273 2.989 1.00 1.53 H new ATOM 0 HA GLU A 32 75.262 -0.594 4.827 1.00 1.71 H new ATOM 0 HB2 GLU A 32 72.350 -1.570 4.676 1.00 1.89 H new ATOM 0 HB3 GLU A 32 73.365 -1.765 6.092 1.00 1.89 H new ATOM 0 HG2 GLU A 32 73.721 0.764 6.110 1.00 1.92 H new ATOM 0 HG3 GLU A 32 72.565 0.893 4.799 1.00 1.92 H new ATOM 523 N LYS A 33 74.294 -3.163 3.066 1.00 1.81 N ATOM 524 CA LYS A 33 74.711 -4.549 2.708 1.00 1.93 C ATOM 525 C LYS A 33 76.013 -4.554 1.894 1.00 1.80 C ATOM 526 O LYS A 33 76.815 -5.461 2.010 1.00 1.86 O ATOM 527 CB LYS A 33 73.559 -5.099 1.867 1.00 2.03 C ATOM 528 CG LYS A 33 73.200 -6.507 2.348 1.00 2.36 C ATOM 529 CD LYS A 33 72.413 -7.235 1.256 1.00 2.79 C ATOM 530 CE LYS A 33 72.060 -8.645 1.735 1.00 3.30 C ATOM 531 NZ LYS A 33 72.246 -9.515 0.540 1.00 3.89 N ATOM 0 H LYS A 33 73.512 -2.792 2.525 1.00 1.81 H new ATOM 0 HA LYS A 33 74.907 -5.148 3.597 1.00 1.93 H new ATOM 0 HB2 LYS A 33 72.691 -4.444 1.947 1.00 2.03 H new ATOM 0 HB3 LYS A 33 73.843 -5.124 0.815 1.00 2.03 H new ATOM 0 HG2 LYS A 33 74.106 -7.062 2.589 1.00 2.36 H new ATOM 0 HG3 LYS A 33 72.608 -6.451 3.261 1.00 2.36 H new ATOM 0 HD2 LYS A 33 71.504 -6.682 1.018 1.00 2.79 H new ATOM 0 HD3 LYS A 33 73.003 -7.287 0.341 1.00 2.79 H new ATOM 0 HE2 LYS A 33 72.707 -8.957 2.555 1.00 3.30 H new ATOM 0 HE3 LYS A 33 71.035 -8.692 2.102 1.00 3.30 H new ATOM 0 HZ1 LYS A 33 72.023 -10.500 0.789 1.00 3.89 H new ATOM 0 HZ2 LYS A 33 71.613 -9.198 -0.222 1.00 3.89 H new ATOM 0 HZ3 LYS A 33 73.233 -9.455 0.217 1.00 3.89 H new ATOM 545 N TRP A 34 76.232 -3.570 1.061 1.00 1.65 N ATOM 546 CA TRP A 34 77.481 -3.568 0.245 1.00 1.56 C ATOM 547 C TRP A 34 78.713 -3.301 1.112 1.00 1.47 C ATOM 548 O TRP A 34 79.700 -4.003 1.026 1.00 1.49 O ATOM 549 CB TRP A 34 77.315 -2.439 -0.778 1.00 1.47 C ATOM 550 CG TRP A 34 77.974 -1.218 -0.273 1.00 1.26 C ATOM 551 CD1 TRP A 34 77.343 -0.191 0.328 1.00 1.27 C ATOM 552 CD2 TRP A 34 79.380 -0.877 -0.307 1.00 1.09 C ATOM 553 NE1 TRP A 34 78.274 0.753 0.681 1.00 1.12 N ATOM 554 CE2 TRP A 34 79.539 0.377 0.297 1.00 0.97 C ATOM 555 CE3 TRP A 34 80.528 -1.525 -0.797 1.00 1.09 C ATOM 556 CZ2 TRP A 34 80.770 0.966 0.410 1.00 0.84 C ATOM 557 CZ3 TRP A 34 81.786 -0.917 -0.680 1.00 0.95 C ATOM 558 CH2 TRP A 34 81.901 0.335 -0.076 1.00 0.81 C ATOM 0 H TRP A 34 75.608 -2.777 0.912 1.00 1.65 H new ATOM 0 HA TRP A 34 77.630 -4.537 -0.230 1.00 1.56 H new ATOM 0 HB2 TRP A 34 77.751 -2.732 -1.733 1.00 1.47 H new ATOM 0 HB3 TRP A 34 76.257 -2.247 -0.956 1.00 1.47 H new ATOM 0 HD1 TRP A 34 76.280 -0.122 0.503 1.00 1.27 H new ATOM 0 HE1 TRP A 34 78.055 1.623 1.167 1.00 1.12 H new ATOM 0 HE3 TRP A 34 80.440 -2.494 -1.265 1.00 1.09 H new ATOM 0 HZ2 TRP A 34 80.859 1.933 0.883 1.00 0.84 H new ATOM 0 HZ3 TRP A 34 82.665 -1.418 -1.057 1.00 0.95 H new ATOM 0 HH2 TRP A 34 82.867 0.809 0.012 1.00 0.81 H new ATOM 569 N ILE A 35 78.690 -2.275 1.921 1.00 1.39 N ATOM 570 CA ILE A 35 79.901 -1.977 2.738 1.00 1.34 C ATOM 571 C ILE A 35 80.097 -3.017 3.845 1.00 1.53 C ATOM 572 O ILE A 35 81.189 -3.517 4.044 1.00 1.56 O ATOM 573 CB ILE A 35 79.668 -0.578 3.303 1.00 1.27 C ATOM 574 CG1 ILE A 35 80.996 0.181 3.316 1.00 1.33 C ATOM 575 CG2 ILE A 35 79.116 -0.666 4.722 1.00 1.51 C ATOM 576 CD1 ILE A 35 81.863 -0.318 4.473 1.00 1.65 C ATOM 0 H ILE A 35 77.901 -1.642 2.050 1.00 1.39 H new ATOM 0 HA ILE A 35 80.814 -2.018 2.144 1.00 1.34 H new ATOM 0 HB ILE A 35 78.945 -0.053 2.679 1.00 1.27 H new ATOM 0 HG12 ILE A 35 81.517 0.037 2.370 1.00 1.33 H new ATOM 0 HG13 ILE A 35 80.814 1.251 3.420 1.00 1.33 H new ATOM 0 HG21 ILE A 35 78.955 0.339 5.113 1.00 1.51 H new ATOM 0 HG22 ILE A 35 78.170 -1.208 4.712 1.00 1.51 H new ATOM 0 HG23 ILE A 35 79.828 -1.192 5.358 1.00 1.51 H new ATOM 0 HD11 ILE A 35 82.808 0.225 4.480 1.00 1.65 H new ATOM 0 HD12 ILE A 35 81.342 -0.151 5.416 1.00 1.65 H new ATOM 0 HD13 ILE A 35 82.057 -1.383 4.349 1.00 1.65 H new ATOM 588 N ASP A 36 79.065 -3.361 4.565 1.00 1.68 N ATOM 589 CA ASP A 36 79.239 -4.378 5.640 1.00 1.89 C ATOM 590 C ASP A 36 79.817 -5.663 5.039 1.00 1.95 C ATOM 591 O ASP A 36 80.724 -6.274 5.582 1.00 2.04 O ATOM 592 CB ASP A 36 77.833 -4.623 6.188 1.00 2.05 C ATOM 593 CG ASP A 36 77.910 -5.560 7.395 1.00 2.39 C ATOM 594 OD1 ASP A 36 78.743 -6.452 7.375 1.00 2.63 O ATOM 595 OD2 ASP A 36 77.136 -5.370 8.318 1.00 2.86 O ATOM 0 H ASP A 36 78.122 -2.988 4.458 1.00 1.68 H new ATOM 0 HA ASP A 36 79.922 -4.050 6.423 1.00 1.89 H new ATOM 0 HB2 ASP A 36 77.374 -3.677 6.477 1.00 2.05 H new ATOM 0 HB3 ASP A 36 77.201 -5.060 5.415 1.00 2.05 H new ATOM 600 N GLY A 37 79.309 -6.067 3.908 1.00 1.92 N ATOM 601 CA GLY A 37 79.826 -7.301 3.258 1.00 2.02 C ATOM 602 C GLY A 37 81.222 -7.023 2.717 1.00 1.88 C ATOM 603 O GLY A 37 82.012 -7.922 2.504 1.00 1.97 O ATOM 0 H GLY A 37 78.557 -5.594 3.406 1.00 1.92 H new ATOM 0 HA2 GLY A 37 79.856 -8.121 3.975 1.00 2.02 H new ATOM 0 HA3 GLY A 37 79.162 -7.608 2.450 1.00 2.02 H new ATOM 607 N ARG A 38 81.535 -5.777 2.501 1.00 1.67 N ATOM 608 CA ARG A 38 82.881 -5.436 1.982 1.00 1.55 C ATOM 609 C ARG A 38 83.934 -5.782 3.030 1.00 1.60 C ATOM 610 O ARG A 38 84.702 -6.707 2.858 1.00 1.71 O ATOM 611 CB ARG A 38 82.836 -3.935 1.715 1.00 1.36 C ATOM 612 CG ARG A 38 83.247 -3.667 0.266 1.00 1.45 C ATOM 613 CD ARG A 38 82.198 -4.248 -0.685 1.00 1.40 C ATOM 614 NE ARG A 38 82.709 -5.601 -1.043 1.00 1.51 N ATOM 615 CZ ARG A 38 81.876 -6.596 -1.185 1.00 1.75 C ATOM 616 NH1 ARG A 38 80.993 -6.576 -2.145 1.00 1.96 N ATOM 617 NH2 ARG A 38 81.927 -7.611 -0.366 1.00 2.34 N ATOM 0 H ARG A 38 80.916 -4.983 2.662 1.00 1.67 H new ATOM 0 HA ARG A 38 83.140 -5.988 1.079 1.00 1.55 H new ATOM 0 HB2 ARG A 38 81.832 -3.551 1.897 1.00 1.36 H new ATOM 0 HB3 ARG A 38 83.506 -3.412 2.398 1.00 1.36 H new ATOM 0 HG2 ARG A 38 83.348 -2.595 0.099 1.00 1.45 H new ATOM 0 HG3 ARG A 38 84.221 -4.114 0.066 1.00 1.45 H new ATOM 0 HD2 ARG A 38 81.221 -4.309 -0.205 1.00 1.40 H new ATOM 0 HD3 ARG A 38 82.079 -3.624 -1.571 1.00 1.40 H new ATOM 0 HE ARG A 38 83.709 -5.750 -1.177 1.00 1.51 H new ATOM 0 HH11 ARG A 38 80.953 -5.783 -2.785 1.00 1.96 H new ATOM 0 HH12 ARG A 38 80.342 -7.354 -2.256 1.00 1.96 H new ATOM 0 HH21 ARG A 38 82.618 -7.626 0.385 1.00 2.34 H new ATOM 0 HH22 ARG A 38 81.276 -8.389 -0.477 1.00 2.34 H new ATOM 631 N LEU A 39 83.976 -5.070 4.124 1.00 1.58 N ATOM 632 CA LEU A 39 84.981 -5.413 5.157 1.00 1.66 C ATOM 633 C LEU A 39 84.858 -6.893 5.497 1.00 1.85 C ATOM 634 O LEU A 39 85.815 -7.532 5.886 1.00 1.92 O ATOM 635 CB LEU A 39 84.637 -4.537 6.356 1.00 1.68 C ATOM 636 CG LEU A 39 84.972 -3.075 6.042 1.00 1.52 C ATOM 637 CD1 LEU A 39 86.112 -3.003 5.020 1.00 1.44 C ATOM 638 CD2 LEU A 39 83.737 -2.380 5.469 1.00 1.48 C ATOM 0 H LEU A 39 83.368 -4.280 4.341 1.00 1.58 H new ATOM 0 HA LEU A 39 86.007 -5.241 4.831 1.00 1.66 H new ATOM 0 HB2 LEU A 39 83.578 -4.634 6.597 1.00 1.68 H new ATOM 0 HB3 LEU A 39 85.195 -4.868 7.232 1.00 1.68 H new ATOM 0 HG LEU A 39 85.283 -2.578 6.961 1.00 1.52 H new ATOM 0 HD11 LEU A 39 86.342 -1.960 4.804 1.00 1.44 H new ATOM 0 HD12 LEU A 39 86.997 -3.493 5.427 1.00 1.44 H new ATOM 0 HD13 LEU A 39 85.809 -3.505 4.101 1.00 1.44 H new ATOM 0 HD21 LEU A 39 83.975 -1.340 5.246 1.00 1.48 H new ATOM 0 HD22 LEU A 39 83.426 -2.885 4.555 1.00 1.48 H new ATOM 0 HD23 LEU A 39 82.927 -2.418 6.198 1.00 1.48 H new ATOM 650 N GLU A 40 83.692 -7.456 5.326 1.00 1.94 N ATOM 651 CA GLU A 40 83.537 -8.906 5.614 1.00 2.13 C ATOM 652 C GLU A 40 84.450 -9.695 4.673 1.00 2.13 C ATOM 653 O GLU A 40 85.013 -10.710 5.033 1.00 2.25 O ATOM 654 CB GLU A 40 82.067 -9.216 5.330 1.00 2.20 C ATOM 655 CG GLU A 40 81.743 -10.633 5.805 1.00 2.55 C ATOM 656 CD GLU A 40 81.364 -10.601 7.287 1.00 2.31 C ATOM 657 OE1 GLU A 40 80.660 -9.685 7.678 1.00 2.62 O ATOM 658 OE2 GLU A 40 81.785 -11.493 8.005 1.00 2.55 O ATOM 0 H GLU A 40 82.850 -6.979 5.003 1.00 1.94 H new ATOM 0 HA GLU A 40 83.805 -9.170 6.637 1.00 2.13 H new ATOM 0 HB2 GLU A 40 81.427 -8.495 5.839 1.00 2.20 H new ATOM 0 HB3 GLU A 40 81.864 -9.124 4.263 1.00 2.20 H new ATOM 0 HG2 GLU A 40 80.923 -11.046 5.218 1.00 2.55 H new ATOM 0 HG3 GLU A 40 82.604 -11.285 5.653 1.00 2.55 H new ATOM 665 N GLU A 41 84.609 -9.214 3.469 1.00 1.99 N ATOM 666 CA GLU A 41 85.495 -9.898 2.486 1.00 2.01 C ATOM 667 C GLU A 41 86.900 -9.317 2.584 1.00 1.94 C ATOM 668 O GLU A 41 87.827 -9.953 3.044 1.00 2.04 O ATOM 669 CB GLU A 41 84.887 -9.584 1.118 1.00 1.91 C ATOM 670 CG GLU A 41 85.853 -10.028 0.020 1.00 2.09 C ATOM 671 CD GLU A 41 85.128 -10.957 -0.955 1.00 2.06 C ATOM 672 OE1 GLU A 41 84.556 -11.933 -0.498 1.00 2.50 O ATOM 673 OE2 GLU A 41 85.156 -10.677 -2.142 1.00 2.48 O ATOM 0 H GLU A 41 84.158 -8.368 3.122 1.00 1.99 H new ATOM 0 HA GLU A 41 85.567 -10.972 2.661 1.00 2.01 H new ATOM 0 HB2 GLU A 41 83.931 -10.096 1.006 1.00 1.91 H new ATOM 0 HB3 GLU A 41 84.688 -8.516 1.033 1.00 1.91 H new ATOM 0 HG2 GLU A 41 86.241 -9.159 -0.511 1.00 2.09 H new ATOM 0 HG3 GLU A 41 86.708 -10.541 0.460 1.00 2.09 H new ATOM 680 N LEU A 42 87.039 -8.096 2.142 1.00 1.79 N ATOM 681 CA LEU A 42 88.350 -7.395 2.173 1.00 1.74 C ATOM 682 C LEU A 42 89.344 -8.097 3.098 1.00 1.89 C ATOM 683 O LEU A 42 90.034 -9.009 2.690 1.00 2.02 O ATOM 684 CB LEU A 42 88.013 -5.989 2.685 1.00 1.60 C ATOM 685 CG LEU A 42 88.769 -4.927 1.878 1.00 1.55 C ATOM 686 CD1 LEU A 42 88.902 -5.367 0.418 1.00 1.70 C ATOM 687 CD2 LEU A 42 87.997 -3.608 1.936 1.00 1.46 C ATOM 0 H LEU A 42 86.276 -7.543 1.751 1.00 1.79 H new ATOM 0 HA LEU A 42 88.831 -7.380 1.195 1.00 1.74 H new ATOM 0 HB2 LEU A 42 86.940 -5.816 2.609 1.00 1.60 H new ATOM 0 HB3 LEU A 42 88.275 -5.907 3.740 1.00 1.60 H new ATOM 0 HG LEU A 42 89.764 -4.798 2.304 1.00 1.55 H new ATOM 0 HD11 LEU A 42 89.441 -4.604 -0.144 1.00 1.70 H new ATOM 0 HD12 LEU A 42 89.450 -6.308 0.370 1.00 1.70 H new ATOM 0 HD13 LEU A 42 87.910 -5.503 -0.013 1.00 1.70 H new ATOM 0 HD21 LEU A 42 88.530 -2.849 1.364 1.00 1.46 H new ATOM 0 HD22 LEU A 42 87.003 -3.750 1.513 1.00 1.46 H new ATOM 0 HD23 LEU A 42 87.907 -3.284 2.973 1.00 1.46 H new ATOM 699 N TYR A 43 89.439 -7.684 4.333 1.00 1.89 N ATOM 700 CA TYR A 43 90.422 -8.342 5.248 1.00 2.05 C ATOM 701 C TYR A 43 90.631 -7.549 6.540 1.00 2.04 C ATOM 702 O TYR A 43 90.729 -8.121 7.607 1.00 2.18 O ATOM 703 CB TYR A 43 91.741 -8.355 4.473 1.00 2.04 C ATOM 704 CG TYR A 43 91.939 -7.016 3.798 1.00 1.84 C ATOM 705 CD1 TYR A 43 92.443 -5.923 4.514 1.00 1.88 C ATOM 706 CD2 TYR A 43 91.600 -6.867 2.458 1.00 1.85 C ATOM 707 CE1 TYR A 43 92.600 -4.685 3.878 1.00 1.75 C ATOM 708 CE2 TYR A 43 91.760 -5.635 1.821 1.00 1.72 C ATOM 709 CZ TYR A 43 92.257 -4.545 2.528 1.00 1.57 C ATOM 710 OH TYR A 43 92.406 -3.330 1.894 1.00 1.52 O ATOM 0 H TYR A 43 88.888 -6.931 4.746 1.00 1.89 H new ATOM 0 HA TYR A 43 90.066 -9.332 5.534 1.00 2.05 H new ATOM 0 HB2 TYR A 43 92.571 -8.560 5.149 1.00 2.04 H new ATOM 0 HB3 TYR A 43 91.731 -9.152 3.729 1.00 2.04 H new ATOM 0 HD1 TYR A 43 92.710 -6.034 5.554 1.00 1.88 H new ATOM 0 HD2 TYR A 43 91.210 -7.710 1.906 1.00 1.85 H new ATOM 0 HE1 TYR A 43 92.985 -3.839 4.428 1.00 1.75 H new ATOM 0 HE2 TYR A 43 91.498 -5.528 0.779 1.00 1.72 H new ATOM 0 HH TYR A 43 92.122 -3.411 0.960 1.00 1.52 H new ATOM 720 N ARG A 44 90.748 -6.247 6.466 1.00 1.89 N ATOM 721 CA ARG A 44 91.003 -5.476 7.720 1.00 1.93 C ATOM 722 C ARG A 44 92.266 -6.004 8.413 1.00 2.06 C ATOM 723 O ARG A 44 92.258 -7.074 8.989 1.00 2.27 O ATOM 724 CB ARG A 44 89.805 -5.736 8.630 1.00 2.05 C ATOM 725 CG ARG A 44 90.148 -5.267 10.051 1.00 2.17 C ATOM 726 CD ARG A 44 90.909 -3.929 10.001 1.00 2.01 C ATOM 727 NE ARG A 44 91.501 -3.778 11.360 1.00 2.13 N ATOM 728 CZ ARG A 44 92.280 -4.708 11.840 1.00 2.40 C ATOM 729 NH1 ARG A 44 91.767 -5.734 12.462 1.00 2.78 N ATOM 730 NH2 ARG A 44 93.574 -4.612 11.700 1.00 2.84 N ATOM 0 H ARG A 44 90.680 -5.694 5.611 1.00 1.89 H new ATOM 0 HA ARG A 44 91.139 -4.416 7.506 1.00 1.93 H new ATOM 0 HB2 ARG A 44 88.928 -5.205 8.259 1.00 2.05 H new ATOM 0 HB3 ARG A 44 89.557 -6.798 8.633 1.00 2.05 H new ATOM 0 HG2 ARG A 44 89.234 -5.152 10.634 1.00 2.17 H new ATOM 0 HG3 ARG A 44 90.755 -6.020 10.554 1.00 2.17 H new ATOM 0 HD2 ARG A 44 91.681 -3.942 9.232 1.00 2.01 H new ATOM 0 HD3 ARG A 44 90.239 -3.101 9.767 1.00 2.01 H new ATOM 0 HE ARG A 44 91.297 -2.947 11.915 1.00 2.13 H new ATOM 0 HH11 ARG A 44 90.756 -5.810 12.573 1.00 2.78 H new ATOM 0 HH12 ARG A 44 92.377 -6.460 12.837 1.00 2.78 H new ATOM 0 HH21 ARG A 44 93.976 -3.810 11.215 1.00 2.84 H new ATOM 0 HH22 ARG A 44 94.183 -5.339 12.075 1.00 2.84 H new ATOM 744 N GLY A 45 93.343 -5.270 8.387 1.00 1.98 N ATOM 745 CA GLY A 45 94.575 -5.757 9.074 1.00 2.11 C ATOM 746 C GLY A 45 95.775 -5.651 8.137 1.00 2.08 C ATOM 747 O GLY A 45 96.865 -6.082 8.458 1.00 2.24 O ATOM 0 H GLY A 45 93.426 -4.364 7.926 1.00 1.98 H new ATOM 0 HA2 GLY A 45 94.754 -5.170 9.975 1.00 2.11 H new ATOM 0 HA3 GLY A 45 94.440 -6.792 9.389 1.00 2.11 H new ATOM 751 N ARG A 46 95.589 -5.079 6.984 1.00 1.96 N ATOM 752 CA ARG A 46 96.725 -4.946 6.034 1.00 1.95 C ATOM 753 C ARG A 46 96.564 -3.671 5.206 1.00 1.79 C ATOM 754 O ARG A 46 97.423 -2.812 5.204 1.00 1.83 O ATOM 755 CB ARG A 46 96.656 -6.189 5.142 1.00 2.05 C ATOM 756 CG ARG A 46 95.210 -6.434 4.706 1.00 2.02 C ATOM 757 CD ARG A 46 94.907 -7.933 4.746 1.00 2.10 C ATOM 758 NE ARG A 46 96.116 -8.588 4.175 1.00 2.25 N ATOM 759 CZ ARG A 46 96.554 -9.707 4.684 1.00 2.37 C ATOM 760 NH1 ARG A 46 96.539 -9.884 5.977 1.00 2.55 N ATOM 761 NH2 ARG A 46 97.006 -10.648 3.901 1.00 2.68 N ATOM 0 H ARG A 46 94.701 -4.698 6.658 1.00 1.96 H new ATOM 0 HA ARG A 46 97.686 -4.876 6.544 1.00 1.95 H new ATOM 0 HB2 ARG A 46 97.292 -6.056 4.267 1.00 2.05 H new ATOM 0 HB3 ARG A 46 97.035 -7.057 5.682 1.00 2.05 H new ATOM 0 HG2 ARG A 46 94.526 -5.897 5.363 1.00 2.02 H new ATOM 0 HG3 ARG A 46 95.053 -6.048 3.699 1.00 2.02 H new ATOM 0 HD2 ARG A 46 94.720 -8.270 5.765 1.00 2.10 H new ATOM 0 HD3 ARG A 46 94.017 -8.171 4.163 1.00 2.10 H new ATOM 0 HE ARG A 46 96.602 -8.162 3.386 1.00 2.25 H new ATOM 0 HH11 ARG A 46 96.185 -9.148 6.588 1.00 2.55 H new ATOM 0 HH12 ARG A 46 96.881 -10.758 6.376 1.00 2.55 H new ATOM 0 HH21 ARG A 46 97.017 -10.509 2.891 1.00 2.68 H new ATOM 0 HH22 ARG A 46 97.348 -11.522 4.299 1.00 2.68 H new ATOM 775 N GLU A 47 95.478 -3.540 4.494 1.00 1.65 N ATOM 776 CA GLU A 47 95.286 -2.321 3.668 1.00 1.52 C ATOM 777 C GLU A 47 94.047 -1.544 4.122 1.00 1.43 C ATOM 778 O GLU A 47 94.110 -0.694 4.987 1.00 1.61 O ATOM 779 CB GLU A 47 95.091 -2.868 2.260 1.00 1.51 C ATOM 780 CG GLU A 47 96.405 -3.474 1.765 1.00 1.60 C ATOM 781 CD GLU A 47 97.436 -2.366 1.545 1.00 1.71 C ATOM 782 OE1 GLU A 47 97.886 -1.799 2.527 1.00 2.25 O ATOM 783 OE2 GLU A 47 97.760 -2.104 0.399 1.00 2.25 O ATOM 0 H GLU A 47 94.721 -4.222 4.450 1.00 1.65 H new ATOM 0 HA GLU A 47 96.122 -1.625 3.742 1.00 1.52 H new ATOM 0 HB2 GLU A 47 94.305 -3.623 2.257 1.00 1.51 H new ATOM 0 HB3 GLU A 47 94.770 -2.071 1.589 1.00 1.51 H new ATOM 0 HG2 GLU A 47 96.781 -4.194 2.492 1.00 1.60 H new ATOM 0 HG3 GLU A 47 96.238 -4.018 0.835 1.00 1.60 H new ATOM 790 N ALA A 48 92.927 -1.831 3.529 1.00 1.41 N ATOM 791 CA ALA A 48 91.667 -1.127 3.886 1.00 1.37 C ATOM 792 C ALA A 48 91.467 -1.075 5.396 1.00 1.45 C ATOM 793 O ALA A 48 90.639 -0.334 5.868 1.00 1.52 O ATOM 794 CB ALA A 48 90.560 -1.952 3.232 1.00 1.41 C ATOM 0 H ALA A 48 92.829 -2.536 2.799 1.00 1.41 H new ATOM 0 HA ALA A 48 91.676 -0.092 3.545 1.00 1.37 H new ATOM 0 HB1 ALA A 48 89.593 -1.499 3.448 1.00 1.41 H new ATOM 0 HB2 ALA A 48 90.715 -1.979 2.153 1.00 1.41 H new ATOM 0 HB3 ALA A 48 90.581 -2.967 3.628 1.00 1.41 H new ATOM 800 N ASP A 49 92.204 -1.847 6.154 1.00 1.52 N ATOM 801 CA ASP A 49 92.039 -1.826 7.644 1.00 1.68 C ATOM 802 C ASP A 49 91.228 -0.599 8.086 1.00 1.64 C ATOM 803 O ASP A 49 90.387 -0.676 8.958 1.00 1.79 O ATOM 804 CB ASP A 49 93.463 -1.755 8.194 1.00 1.79 C ATOM 805 CG ASP A 49 93.463 -2.159 9.669 1.00 1.93 C ATOM 806 OD1 ASP A 49 92.543 -1.769 10.369 1.00 2.58 O ATOM 807 OD2 ASP A 49 94.383 -2.851 10.073 1.00 2.23 O ATOM 0 H ASP A 49 92.914 -2.492 5.807 1.00 1.52 H new ATOM 0 HA ASP A 49 91.499 -2.700 8.008 1.00 1.68 H new ATOM 0 HB2 ASP A 49 94.117 -2.416 7.625 1.00 1.79 H new ATOM 0 HB3 ASP A 49 93.857 -0.745 8.083 1.00 1.79 H new ATOM 812 N MET A 50 91.470 0.528 7.472 1.00 1.51 N ATOM 813 CA MET A 50 90.711 1.766 7.831 1.00 1.56 C ATOM 814 C MET A 50 89.286 1.700 7.259 1.00 1.45 C ATOM 815 O MET A 50 88.977 0.843 6.462 1.00 1.35 O ATOM 816 CB MET A 50 91.495 2.911 7.189 1.00 1.57 C ATOM 817 CG MET A 50 92.656 3.309 8.102 1.00 2.03 C ATOM 818 SD MET A 50 93.823 1.931 8.230 1.00 2.40 S ATOM 819 CE MET A 50 93.076 1.137 9.675 1.00 2.51 C ATOM 0 H MET A 50 92.163 0.647 6.734 1.00 1.51 H new ATOM 0 HA MET A 50 90.614 1.893 8.909 1.00 1.56 H new ATOM 0 HB2 MET A 50 91.874 2.605 6.214 1.00 1.57 H new ATOM 0 HB3 MET A 50 90.840 3.766 7.022 1.00 1.57 H new ATOM 0 HG2 MET A 50 93.160 4.190 7.705 1.00 2.03 H new ATOM 0 HG3 MET A 50 92.281 3.575 9.090 1.00 2.03 H new ATOM 0 HE1 MET A 50 93.831 0.552 10.200 1.00 2.51 H new ATOM 0 HE2 MET A 50 92.678 1.900 10.344 1.00 2.51 H new ATOM 0 HE3 MET A 50 92.268 0.480 9.352 1.00 2.51 H new ATOM 829 N PRO A 51 88.459 2.607 7.701 1.00 1.57 N ATOM 830 CA PRO A 51 87.043 2.647 7.238 1.00 1.51 C ATOM 831 C PRO A 51 86.940 3.096 5.772 1.00 1.28 C ATOM 832 O PRO A 51 87.859 3.668 5.223 1.00 1.27 O ATOM 833 CB PRO A 51 86.399 3.674 8.167 1.00 1.78 C ATOM 834 CG PRO A 51 87.527 4.543 8.624 1.00 1.91 C ATOM 835 CD PRO A 51 88.757 3.676 8.660 1.00 1.84 C ATOM 0 HA PRO A 51 86.562 1.670 7.275 1.00 1.51 H new ATOM 0 HB2 PRO A 51 85.639 4.256 7.646 1.00 1.78 H new ATOM 0 HB3 PRO A 51 85.907 3.190 9.010 1.00 1.78 H new ATOM 0 HG2 PRO A 51 87.667 5.384 7.945 1.00 1.91 H new ATOM 0 HG3 PRO A 51 87.319 4.960 9.609 1.00 1.91 H new ATOM 0 HD2 PRO A 51 89.648 4.234 8.373 1.00 1.84 H new ATOM 0 HD3 PRO A 51 88.937 3.279 9.659 1.00 1.84 H new ATOM 843 N ASP A 52 85.819 2.841 5.136 1.00 1.18 N ATOM 844 CA ASP A 52 85.660 3.257 3.707 1.00 0.99 C ATOM 845 C ASP A 52 84.206 3.082 3.231 1.00 0.98 C ATOM 846 O ASP A 52 83.755 1.982 2.985 1.00 1.14 O ATOM 847 CB ASP A 52 86.588 2.328 2.927 1.00 1.00 C ATOM 848 CG ASP A 52 87.252 3.108 1.794 1.00 1.20 C ATOM 849 OD1 ASP A 52 87.660 4.230 2.038 1.00 1.48 O ATOM 850 OD2 ASP A 52 87.342 2.570 0.703 1.00 1.90 O ATOM 0 H ASP A 52 85.013 2.366 5.543 1.00 1.18 H new ATOM 0 HA ASP A 52 85.903 4.310 3.565 1.00 0.99 H new ATOM 0 HB2 ASP A 52 87.346 1.913 3.591 1.00 1.00 H new ATOM 0 HB3 ASP A 52 86.024 1.488 2.523 1.00 1.00 H new ATOM 855 N GLU A 53 83.475 4.159 3.084 1.00 0.90 N ATOM 856 CA GLU A 53 82.061 4.052 2.608 1.00 0.96 C ATOM 857 C GLU A 53 81.500 5.441 2.291 1.00 0.86 C ATOM 858 O GLU A 53 81.366 6.273 3.164 1.00 0.99 O ATOM 859 CB GLU A 53 81.294 3.413 3.760 1.00 1.22 C ATOM 860 CG GLU A 53 81.064 4.435 4.878 1.00 1.23 C ATOM 861 CD GLU A 53 82.385 5.120 5.236 1.00 1.48 C ATOM 862 OE1 GLU A 53 83.344 4.413 5.496 1.00 2.22 O ATOM 863 OE2 GLU A 53 82.414 6.340 5.243 1.00 1.98 O ATOM 0 H GLU A 53 83.796 5.108 3.273 1.00 0.90 H new ATOM 0 HA GLU A 53 81.981 3.463 1.695 1.00 0.96 H new ATOM 0 HB2 GLU A 53 80.337 3.034 3.402 1.00 1.22 H new ATOM 0 HB3 GLU A 53 81.851 2.559 4.147 1.00 1.22 H new ATOM 0 HG2 GLU A 53 80.333 5.178 4.559 1.00 1.23 H new ATOM 0 HG3 GLU A 53 80.651 3.939 5.757 1.00 1.23 H new ATOM 870 N VAL A 54 81.177 5.702 1.049 1.00 0.73 N ATOM 871 CA VAL A 54 80.640 7.057 0.689 1.00 0.73 C ATOM 872 C VAL A 54 79.953 7.062 -0.695 1.00 0.75 C ATOM 873 O VAL A 54 79.132 7.910 -0.984 1.00 1.48 O ATOM 874 CB VAL A 54 81.877 7.960 0.638 1.00 0.79 C ATOM 875 CG1 VAL A 54 82.582 7.981 1.996 1.00 0.91 C ATOM 876 CG2 VAL A 54 82.848 7.426 -0.418 1.00 0.77 C ATOM 0 H VAL A 54 81.259 5.045 0.273 1.00 0.73 H new ATOM 0 HA VAL A 54 79.888 7.381 1.409 1.00 0.73 H new ATOM 0 HB VAL A 54 81.562 8.972 0.385 1.00 0.79 H new ATOM 0 HG11 VAL A 54 83.458 8.627 1.941 1.00 0.91 H new ATOM 0 HG12 VAL A 54 81.898 8.361 2.755 1.00 0.91 H new ATOM 0 HG13 VAL A 54 82.893 6.970 2.260 1.00 0.91 H new ATOM 0 HG21 VAL A 54 83.730 8.065 -0.458 1.00 0.77 H new ATOM 0 HG22 VAL A 54 83.147 6.411 -0.157 1.00 0.77 H new ATOM 0 HG23 VAL A 54 82.359 7.421 -1.392 1.00 0.77 H new ATOM 886 N ASN A 55 80.311 6.150 -1.557 1.00 0.61 N ATOM 887 CA ASN A 55 79.721 6.114 -2.938 1.00 0.61 C ATOM 888 C ASN A 55 78.220 6.451 -2.957 1.00 0.63 C ATOM 889 O ASN A 55 77.801 7.426 -3.549 1.00 0.76 O ATOM 890 CB ASN A 55 79.975 4.678 -3.420 1.00 0.71 C ATOM 891 CG ASN A 55 78.658 3.963 -3.742 1.00 0.92 C ATOM 892 OD1 ASN A 55 77.962 4.335 -4.665 1.00 1.84 O ATOM 893 ND2 ASN A 55 78.284 2.943 -3.013 1.00 0.71 N ATOM 0 H ASN A 55 80.995 5.417 -1.367 1.00 0.61 H new ATOM 0 HA ASN A 55 80.175 6.866 -3.583 1.00 0.61 H new ATOM 0 HB2 ASN A 55 80.609 4.695 -4.306 1.00 0.71 H new ATOM 0 HB3 ASN A 55 80.515 4.124 -2.653 1.00 0.71 H new ATOM 0 HD21 ASN A 55 77.409 2.462 -3.220 1.00 0.71 H new ATOM 0 HD22 ASN A 55 78.867 2.629 -2.237 1.00 0.71 H new ATOM 900 N ILE A 56 77.412 5.639 -2.346 1.00 0.69 N ATOM 901 CA ILE A 56 75.938 5.877 -2.352 1.00 0.81 C ATOM 902 C ILE A 56 75.586 7.354 -2.150 1.00 0.88 C ATOM 903 O ILE A 56 74.549 7.807 -2.586 1.00 1.09 O ATOM 904 CB ILE A 56 75.412 5.039 -1.197 1.00 0.96 C ATOM 905 CG1 ILE A 56 75.834 5.677 0.127 1.00 1.15 C ATOM 906 CG2 ILE A 56 75.990 3.627 -1.302 1.00 1.15 C ATOM 907 CD1 ILE A 56 77.360 5.803 0.190 1.00 1.88 C ATOM 0 H ILE A 56 77.709 4.808 -1.834 1.00 0.69 H new ATOM 0 HA ILE A 56 75.497 5.605 -3.311 1.00 0.81 H new ATOM 0 HB ILE A 56 74.324 4.990 -1.238 1.00 0.96 H new ATOM 0 HG12 ILE A 56 75.376 6.661 0.227 1.00 1.15 H new ATOM 0 HG13 ILE A 56 75.477 5.073 0.961 1.00 1.15 H new ATOM 0 HG21 ILE A 56 75.618 3.019 -0.477 1.00 1.15 H new ATOM 0 HG22 ILE A 56 75.687 3.179 -2.248 1.00 1.15 H new ATOM 0 HG23 ILE A 56 77.078 3.675 -1.255 1.00 1.15 H new ATOM 0 HD11 ILE A 56 77.649 6.259 1.137 1.00 1.88 H new ATOM 0 HD12 ILE A 56 77.810 4.814 0.111 1.00 1.88 H new ATOM 0 HD13 ILE A 56 77.708 6.427 -0.633 1.00 1.88 H new ATOM 919 N ASP A 57 76.417 8.108 -1.492 1.00 0.82 N ATOM 920 CA ASP A 57 76.086 9.546 -1.270 1.00 1.00 C ATOM 921 C ASP A 57 75.871 10.261 -2.604 1.00 1.01 C ATOM 922 O ASP A 57 74.848 10.882 -2.833 1.00 1.12 O ATOM 923 CB ASP A 57 77.299 10.124 -0.540 1.00 1.11 C ATOM 924 CG ASP A 57 77.085 11.620 -0.298 1.00 1.38 C ATOM 925 OD1 ASP A 57 75.984 12.087 -0.537 1.00 1.97 O ATOM 926 OD2 ASP A 57 78.027 12.272 0.121 1.00 1.85 O ATOM 0 H ASP A 57 77.306 7.797 -1.099 1.00 0.82 H new ATOM 0 HA ASP A 57 75.167 9.670 -0.698 1.00 1.00 H new ATOM 0 HB2 ASP A 57 77.445 9.609 0.409 1.00 1.11 H new ATOM 0 HB3 ASP A 57 78.201 9.966 -1.131 1.00 1.11 H new ATOM 931 N GLU A 58 76.822 10.180 -3.485 1.00 0.96 N ATOM 932 CA GLU A 58 76.672 10.857 -4.800 1.00 1.08 C ATOM 933 C GLU A 58 75.462 10.298 -5.552 1.00 1.03 C ATOM 934 O GLU A 58 74.512 11.003 -5.829 1.00 1.14 O ATOM 935 CB GLU A 58 77.960 10.532 -5.543 1.00 1.11 C ATOM 936 CG GLU A 58 78.575 11.820 -6.097 1.00 1.47 C ATOM 937 CD GLU A 58 79.339 12.543 -4.986 1.00 1.69 C ATOM 938 OE1 GLU A 58 79.119 12.214 -3.832 1.00 2.07 O ATOM 939 OE2 GLU A 58 80.130 13.413 -5.309 1.00 2.27 O ATOM 0 H GLU A 58 77.698 9.674 -3.353 1.00 0.96 H new ATOM 0 HA GLU A 58 76.510 11.930 -4.701 1.00 1.08 H new ATOM 0 HB2 GLU A 58 78.664 10.041 -4.872 1.00 1.11 H new ATOM 0 HB3 GLU A 58 77.756 9.836 -6.356 1.00 1.11 H new ATOM 0 HG2 GLU A 58 79.247 11.588 -6.923 1.00 1.47 H new ATOM 0 HG3 GLU A 58 77.793 12.467 -6.495 1.00 1.47 H new ATOM 946 N LEU A 59 75.489 9.037 -5.889 1.00 0.92 N ATOM 947 CA LEU A 59 74.336 8.443 -6.629 1.00 0.97 C ATOM 948 C LEU A 59 73.040 8.608 -5.828 1.00 0.93 C ATOM 949 O LEU A 59 71.971 8.746 -6.390 1.00 0.95 O ATOM 950 CB LEU A 59 74.691 6.964 -6.813 1.00 1.03 C ATOM 951 CG LEU A 59 74.338 6.170 -5.556 1.00 0.91 C ATOM 952 CD1 LEU A 59 72.947 5.559 -5.714 1.00 1.51 C ATOM 953 CD2 LEU A 59 75.362 5.051 -5.368 1.00 1.34 C ATOM 0 H LEU A 59 76.255 8.394 -5.686 1.00 0.92 H new ATOM 0 HA LEU A 59 74.167 8.934 -7.588 1.00 0.97 H new ATOM 0 HB2 LEU A 59 74.153 6.558 -7.670 1.00 1.03 H new ATOM 0 HB3 LEU A 59 75.755 6.863 -7.028 1.00 1.03 H new ATOM 0 HG LEU A 59 74.348 6.831 -4.689 1.00 0.91 H new ATOM 0 HD11 LEU A 59 72.695 4.992 -4.818 1.00 1.51 H new ATOM 0 HD12 LEU A 59 72.215 6.353 -5.859 1.00 1.51 H new ATOM 0 HD13 LEU A 59 72.937 4.894 -6.578 1.00 1.51 H new ATOM 0 HD21 LEU A 59 75.117 4.480 -4.473 1.00 1.34 H new ATOM 0 HD22 LEU A 59 75.344 4.391 -6.236 1.00 1.34 H new ATOM 0 HD23 LEU A 59 76.357 5.483 -5.262 1.00 1.34 H new ATOM 965 N LEU A 60 73.116 8.609 -4.525 1.00 0.96 N ATOM 966 CA LEU A 60 71.873 8.780 -3.719 1.00 1.01 C ATOM 967 C LEU A 60 71.157 10.056 -4.158 1.00 1.13 C ATOM 968 O LEU A 60 69.977 10.052 -4.449 1.00 1.22 O ATOM 969 CB LEU A 60 72.343 8.897 -2.265 1.00 1.02 C ATOM 970 CG LEU A 60 71.325 9.700 -1.448 1.00 1.35 C ATOM 971 CD1 LEU A 60 70.943 8.917 -0.191 1.00 1.83 C ATOM 972 CD2 LEU A 60 71.945 11.039 -1.042 1.00 1.79 C ATOM 0 H LEU A 60 73.976 8.500 -3.987 1.00 0.96 H new ATOM 0 HA LEU A 60 71.175 7.952 -3.845 1.00 1.01 H new ATOM 0 HB2 LEU A 60 72.466 7.904 -1.833 1.00 1.02 H new ATOM 0 HB3 LEU A 60 73.317 9.384 -2.227 1.00 1.02 H new ATOM 0 HG LEU A 60 70.434 9.875 -2.051 1.00 1.35 H new ATOM 0 HD11 LEU A 60 70.219 9.490 0.389 1.00 1.83 H new ATOM 0 HD12 LEU A 60 70.504 7.961 -0.477 1.00 1.83 H new ATOM 0 HD13 LEU A 60 71.833 8.741 0.413 1.00 1.83 H new ATOM 0 HD21 LEU A 60 71.223 11.613 -0.461 1.00 1.79 H new ATOM 0 HD22 LEU A 60 72.836 10.860 -0.440 1.00 1.79 H new ATOM 0 HD23 LEU A 60 72.218 11.599 -1.936 1.00 1.79 H new ATOM 984 N GLU A 61 71.865 11.149 -4.207 1.00 1.21 N ATOM 985 CA GLU A 61 71.227 12.429 -4.629 1.00 1.41 C ATOM 986 C GLU A 61 72.297 13.483 -4.915 1.00 1.40 C ATOM 987 O GLU A 61 72.490 14.407 -4.150 1.00 1.56 O ATOM 988 CB GLU A 61 70.362 12.851 -3.441 1.00 1.66 C ATOM 989 CG GLU A 61 68.918 13.049 -3.906 1.00 2.05 C ATOM 990 CD GLU A 61 68.493 14.495 -3.648 1.00 2.31 C ATOM 991 OE1 GLU A 61 68.627 14.939 -2.519 1.00 2.83 O ATOM 992 OE2 GLU A 61 68.040 15.134 -4.583 1.00 2.62 O ATOM 0 H GLU A 61 72.856 11.213 -3.974 1.00 1.21 H new ATOM 0 HA GLU A 61 70.640 12.317 -5.541 1.00 1.41 H new ATOM 0 HB2 GLU A 61 70.403 12.092 -2.660 1.00 1.66 H new ATOM 0 HB3 GLU A 61 70.746 13.775 -3.008 1.00 1.66 H new ATOM 0 HG2 GLU A 61 68.832 12.817 -4.968 1.00 2.05 H new ATOM 0 HG3 GLU A 61 68.257 12.364 -3.375 1.00 2.05 H new ATOM 999 N LEU A 62 72.996 13.352 -6.008 1.00 1.32 N ATOM 1000 CA LEU A 62 74.054 14.352 -6.331 1.00 1.42 C ATOM 1001 C LEU A 62 74.076 14.646 -7.833 1.00 1.54 C ATOM 1002 O LEU A 62 74.166 15.784 -8.247 1.00 2.23 O ATOM 1003 CB LEU A 62 75.363 13.695 -5.896 1.00 1.43 C ATOM 1004 CG LEU A 62 76.267 14.740 -5.241 1.00 1.86 C ATOM 1005 CD1 LEU A 62 76.698 14.250 -3.858 1.00 2.39 C ATOM 1006 CD2 LEU A 62 77.506 14.959 -6.113 1.00 2.16 C ATOM 0 H LEU A 62 72.882 12.601 -6.689 1.00 1.32 H new ATOM 0 HA LEU A 62 73.885 15.304 -5.828 1.00 1.42 H new ATOM 0 HB2 LEU A 62 75.160 12.885 -5.196 1.00 1.43 H new ATOM 0 HB3 LEU A 62 75.864 13.254 -6.757 1.00 1.43 H new ATOM 0 HG LEU A 62 75.722 15.678 -5.139 1.00 1.86 H new ATOM 0 HD11 LEU A 62 77.342 14.996 -3.392 1.00 2.39 H new ATOM 0 HD12 LEU A 62 75.816 14.093 -3.237 1.00 2.39 H new ATOM 0 HD13 LEU A 62 77.243 13.311 -3.958 1.00 2.39 H new ATOM 0 HD21 LEU A 62 78.152 15.704 -5.647 1.00 2.16 H new ATOM 0 HD22 LEU A 62 78.050 14.020 -6.215 1.00 2.16 H new ATOM 0 HD23 LEU A 62 77.200 15.309 -7.099 1.00 2.16 H new ATOM 1018 N GLU A 63 74.011 13.624 -8.648 1.00 1.54 N ATOM 1019 CA GLU A 63 74.042 13.825 -10.126 1.00 1.68 C ATOM 1020 C GLU A 63 75.493 13.935 -10.584 1.00 1.72 C ATOM 1021 O GLU A 63 75.781 14.361 -11.685 1.00 1.99 O ATOM 1022 CB GLU A 63 73.282 15.128 -10.393 1.00 1.93 C ATOM 1023 CG GLU A 63 72.536 15.021 -11.725 1.00 2.52 C ATOM 1024 CD GLU A 63 72.640 16.350 -12.476 1.00 2.81 C ATOM 1025 OE1 GLU A 63 73.237 17.267 -11.937 1.00 2.99 O ATOM 1026 OE2 GLU A 63 72.121 16.428 -13.577 1.00 3.45 O ATOM 0 H GLU A 63 73.937 12.652 -8.349 1.00 1.54 H new ATOM 0 HA GLU A 63 73.586 12.997 -10.668 1.00 1.68 H new ATOM 0 HB2 GLU A 63 72.578 15.323 -9.584 1.00 1.93 H new ATOM 0 HB3 GLU A 63 73.977 15.968 -10.420 1.00 1.93 H new ATOM 0 HG2 GLU A 63 72.959 14.217 -12.327 1.00 2.52 H new ATOM 0 HG3 GLU A 63 71.490 14.771 -11.549 1.00 2.52 H new ATOM 1033 N SER A 64 76.410 13.546 -9.740 1.00 1.61 N ATOM 1034 CA SER A 64 77.846 13.619 -10.117 1.00 1.67 C ATOM 1035 C SER A 64 78.467 12.221 -10.095 1.00 1.57 C ATOM 1036 O SER A 64 78.285 11.467 -9.160 1.00 1.77 O ATOM 1037 CB SER A 64 78.495 14.511 -9.061 1.00 1.71 C ATOM 1038 OG SER A 64 79.589 15.206 -9.645 1.00 2.19 O ATOM 0 H SER A 64 76.224 13.181 -8.806 1.00 1.61 H new ATOM 0 HA SER A 64 77.988 14.016 -11.122 1.00 1.67 H new ATOM 0 HB2 SER A 64 77.766 15.220 -8.669 1.00 1.71 H new ATOM 0 HB3 SER A 64 78.838 13.909 -8.220 1.00 1.71 H new ATOM 0 HG SER A 64 80.008 15.781 -8.971 1.00 2.19 H new ATOM 1044 N GLU A 65 79.196 11.870 -11.120 1.00 1.54 N ATOM 1045 CA GLU A 65 79.829 10.519 -11.166 1.00 1.44 C ATOM 1046 C GLU A 65 80.254 10.072 -9.763 1.00 1.29 C ATOM 1047 O GLU A 65 80.529 10.882 -8.903 1.00 1.36 O ATOM 1048 CB GLU A 65 81.051 10.686 -12.067 1.00 1.58 C ATOM 1049 CG GLU A 65 81.805 11.958 -11.675 1.00 2.07 C ATOM 1050 CD GLU A 65 83.132 12.020 -12.433 1.00 2.39 C ATOM 1051 OE1 GLU A 65 83.407 11.098 -13.183 1.00 2.62 O ATOM 1052 OE2 GLU A 65 83.852 12.988 -12.250 1.00 2.94 O ATOM 0 H GLU A 65 79.381 12.462 -11.930 1.00 1.54 H new ATOM 0 HA GLU A 65 79.143 9.760 -11.540 1.00 1.44 H new ATOM 0 HB2 GLU A 65 81.706 9.819 -11.974 1.00 1.58 H new ATOM 0 HB3 GLU A 65 80.742 10.741 -13.111 1.00 1.58 H new ATOM 0 HG2 GLU A 65 81.202 12.836 -11.905 1.00 2.07 H new ATOM 0 HG3 GLU A 65 81.987 11.969 -10.600 1.00 2.07 H new ATOM 1059 N GLU A 66 80.290 8.786 -9.536 1.00 1.14 N ATOM 1060 CA GLU A 66 80.680 8.245 -8.196 1.00 1.00 C ATOM 1061 C GLU A 66 81.903 8.963 -7.605 1.00 1.04 C ATOM 1062 O GLU A 66 82.961 8.380 -7.440 1.00 1.04 O ATOM 1063 CB GLU A 66 81.009 6.778 -8.467 1.00 0.95 C ATOM 1064 CG GLU A 66 81.960 6.679 -9.662 1.00 1.44 C ATOM 1065 CD GLU A 66 81.471 5.585 -10.613 1.00 1.72 C ATOM 1066 OE1 GLU A 66 80.668 4.772 -10.186 1.00 2.20 O ATOM 1067 OE2 GLU A 66 81.908 5.578 -11.752 1.00 2.25 O ATOM 0 H GLU A 66 80.063 8.075 -10.231 1.00 1.14 H new ATOM 0 HA GLU A 66 79.883 8.385 -7.466 1.00 1.00 H new ATOM 0 HB2 GLU A 66 81.467 6.329 -7.586 1.00 0.95 H new ATOM 0 HB3 GLU A 66 80.094 6.221 -8.670 1.00 0.95 H new ATOM 0 HG2 GLU A 66 82.007 7.635 -10.184 1.00 1.44 H new ATOM 0 HG3 GLU A 66 82.970 6.453 -9.319 1.00 1.44 H new ATOM 1074 N GLU A 67 81.762 10.210 -7.250 1.00 1.13 N ATOM 1075 CA GLU A 67 82.908 10.939 -6.642 1.00 1.22 C ATOM 1076 C GLU A 67 83.255 10.292 -5.300 1.00 1.10 C ATOM 1077 O GLU A 67 84.405 10.038 -4.995 1.00 1.10 O ATOM 1078 CB GLU A 67 82.409 12.371 -6.441 1.00 1.36 C ATOM 1079 CG GLU A 67 83.573 13.348 -6.615 1.00 1.57 C ATOM 1080 CD GLU A 67 84.049 13.321 -8.069 1.00 1.73 C ATOM 1081 OE1 GLU A 67 83.460 14.020 -8.877 1.00 2.20 O ATOM 1082 OE2 GLU A 67 84.994 12.602 -8.349 1.00 2.28 O ATOM 0 H GLU A 67 80.905 10.754 -7.354 1.00 1.13 H new ATOM 0 HA GLU A 67 83.805 10.915 -7.261 1.00 1.22 H new ATOM 0 HB2 GLU A 67 81.621 12.597 -7.159 1.00 1.36 H new ATOM 0 HB3 GLU A 67 81.975 12.480 -5.447 1.00 1.36 H new ATOM 0 HG2 GLU A 67 83.260 14.356 -6.342 1.00 1.57 H new ATOM 0 HG3 GLU A 67 84.392 13.077 -5.948 1.00 1.57 H new ATOM 1089 N ARG A 68 82.261 10.005 -4.503 1.00 1.04 N ATOM 1090 CA ARG A 68 82.525 9.356 -3.190 1.00 0.97 C ATOM 1091 C ARG A 68 83.163 7.985 -3.421 1.00 0.85 C ATOM 1092 O ARG A 68 84.170 7.652 -2.830 1.00 0.84 O ATOM 1093 CB ARG A 68 81.154 9.211 -2.531 1.00 0.95 C ATOM 1094 CG ARG A 68 80.501 10.589 -2.401 1.00 1.08 C ATOM 1095 CD ARG A 68 80.647 11.091 -0.963 1.00 1.46 C ATOM 1096 NE ARG A 68 80.382 12.554 -1.039 1.00 1.58 N ATOM 1097 CZ ARG A 68 81.244 13.400 -0.544 1.00 1.89 C ATOM 1098 NH1 ARG A 68 81.895 13.105 0.548 1.00 2.21 N ATOM 1099 NH2 ARG A 68 81.455 14.542 -1.140 1.00 2.46 N ATOM 0 H ARG A 68 81.279 10.192 -4.706 1.00 1.04 H new ATOM 0 HA ARG A 68 83.207 9.932 -2.565 1.00 0.97 H new ATOM 0 HB2 ARG A 68 80.521 8.552 -3.125 1.00 0.95 H new ATOM 0 HB3 ARG A 68 81.258 8.752 -1.548 1.00 0.95 H new ATOM 0 HG2 ARG A 68 80.969 11.291 -3.091 1.00 1.08 H new ATOM 0 HG3 ARG A 68 79.447 10.530 -2.671 1.00 1.08 H new ATOM 0 HD2 ARG A 68 79.940 10.595 -0.298 1.00 1.46 H new ATOM 0 HD3 ARG A 68 81.645 10.890 -0.574 1.00 1.46 H new ATOM 0 HE ARG A 68 79.527 12.895 -1.478 1.00 1.58 H new ATOM 0 HH11 ARG A 68 81.730 12.213 1.015 1.00 2.21 H new ATOM 0 HH12 ARG A 68 82.569 13.766 0.935 1.00 2.21 H new ATOM 0 HH21 ARG A 68 80.946 14.774 -1.993 1.00 2.46 H new ATOM 0 HH22 ARG A 68 82.129 15.203 -0.753 1.00 2.46 H new ATOM 1113 N SER A 69 82.592 7.191 -4.289 1.00 0.80 N ATOM 1114 CA SER A 69 83.186 5.852 -4.561 1.00 0.75 C ATOM 1115 C SER A 69 84.684 6.013 -4.796 1.00 0.83 C ATOM 1116 O SER A 69 85.476 5.175 -4.421 1.00 0.88 O ATOM 1117 CB SER A 69 82.493 5.347 -5.822 1.00 0.80 C ATOM 1118 OG SER A 69 83.313 5.624 -6.950 1.00 1.42 O ATOM 0 H SER A 69 81.747 7.411 -4.817 1.00 0.80 H new ATOM 0 HA SER A 69 83.052 5.155 -3.734 1.00 0.75 H new ATOM 0 HB2 SER A 69 82.309 4.275 -5.746 1.00 0.80 H new ATOM 0 HB3 SER A 69 81.522 5.830 -5.936 1.00 0.80 H new ATOM 0 HG SER A 69 83.265 6.579 -7.163 1.00 1.42 H new ATOM 1124 N ARG A 70 85.085 7.094 -5.403 1.00 0.91 N ATOM 1125 CA ARG A 70 86.540 7.300 -5.627 1.00 1.03 C ATOM 1126 C ARG A 70 87.207 7.633 -4.289 1.00 1.04 C ATOM 1127 O ARG A 70 88.340 7.269 -4.039 1.00 1.10 O ATOM 1128 CB ARG A 70 86.642 8.471 -6.602 1.00 1.21 C ATOM 1129 CG ARG A 70 87.135 7.955 -7.955 1.00 1.32 C ATOM 1130 CD ARG A 70 87.267 9.126 -8.932 1.00 1.56 C ATOM 1131 NE ARG A 70 88.270 8.677 -9.937 1.00 1.84 N ATOM 1132 CZ ARG A 70 88.799 9.539 -10.761 1.00 2.36 C ATOM 1133 NH1 ARG A 70 89.671 10.408 -10.327 1.00 2.89 N ATOM 1134 NH2 ARG A 70 88.456 9.533 -12.020 1.00 2.83 N ATOM 0 H ARG A 70 84.476 7.835 -5.750 1.00 0.91 H new ATOM 0 HA ARG A 70 87.037 6.418 -6.030 1.00 1.03 H new ATOM 0 HB2 ARG A 70 85.670 8.952 -6.715 1.00 1.21 H new ATOM 0 HB3 ARG A 70 87.328 9.224 -6.214 1.00 1.21 H new ATOM 0 HG2 ARG A 70 88.097 7.456 -7.837 1.00 1.32 H new ATOM 0 HG3 ARG A 70 86.438 7.215 -8.350 1.00 1.32 H new ATOM 0 HD2 ARG A 70 86.312 9.357 -9.403 1.00 1.56 H new ATOM 0 HD3 ARG A 70 87.597 10.031 -8.422 1.00 1.56 H new ATOM 0 HE ARG A 70 88.543 7.695 -9.981 1.00 1.84 H new ATOM 0 HH11 ARG A 70 89.939 10.413 -9.343 1.00 2.89 H new ATOM 0 HH12 ARG A 70 90.084 11.082 -10.972 1.00 2.89 H new ATOM 0 HH21 ARG A 70 87.774 8.854 -12.360 1.00 2.83 H new ATOM 0 HH22 ARG A 70 88.869 10.207 -12.664 1.00 2.83 H new ATOM 1148 N LYS A 71 86.501 8.307 -3.415 1.00 1.01 N ATOM 1149 CA LYS A 71 87.089 8.642 -2.084 1.00 1.07 C ATOM 1150 C LYS A 71 87.423 7.347 -1.337 1.00 0.98 C ATOM 1151 O LYS A 71 88.556 7.110 -0.955 1.00 1.04 O ATOM 1152 CB LYS A 71 85.999 9.422 -1.349 1.00 1.08 C ATOM 1153 CG LYS A 71 86.632 10.254 -0.232 1.00 1.52 C ATOM 1154 CD LYS A 71 85.979 11.637 -0.193 1.00 2.15 C ATOM 1155 CE LYS A 71 86.396 12.363 1.088 1.00 2.85 C ATOM 1156 NZ LYS A 71 87.023 13.632 0.624 1.00 3.65 N ATOM 0 H LYS A 71 85.548 8.638 -3.566 1.00 1.01 H new ATOM 0 HA LYS A 71 88.009 9.221 -2.164 1.00 1.07 H new ATOM 0 HB2 LYS A 71 85.470 10.072 -2.046 1.00 1.08 H new ATOM 0 HB3 LYS A 71 85.263 8.734 -0.932 1.00 1.08 H new ATOM 0 HG2 LYS A 71 86.503 9.752 0.727 1.00 1.52 H new ATOM 0 HG3 LYS A 71 87.705 10.351 -0.400 1.00 1.52 H new ATOM 0 HD2 LYS A 71 86.278 12.217 -1.066 1.00 2.15 H new ATOM 0 HD3 LYS A 71 84.894 11.540 -0.232 1.00 2.15 H new ATOM 0 HE2 LYS A 71 85.536 12.559 1.729 1.00 2.85 H new ATOM 0 HE3 LYS A 71 87.098 11.766 1.670 1.00 2.85 H new ATOM 0 HZ1 LYS A 71 87.335 14.186 1.447 1.00 3.65 H new ATOM 0 HZ2 LYS A 71 87.843 13.414 0.022 1.00 3.65 H new ATOM 0 HZ3 LYS A 71 86.329 14.183 0.079 1.00 3.65 H new ATOM 1170 N ILE A 72 86.453 6.491 -1.148 1.00 0.87 N ATOM 1171 CA ILE A 72 86.744 5.206 -0.456 1.00 0.86 C ATOM 1172 C ILE A 72 87.929 4.549 -1.153 1.00 0.86 C ATOM 1173 O ILE A 72 88.820 4.012 -0.525 1.00 0.90 O ATOM 1174 CB ILE A 72 85.490 4.346 -0.608 1.00 0.90 C ATOM 1175 CG1 ILE A 72 84.984 4.432 -2.047 1.00 0.95 C ATOM 1176 CG2 ILE A 72 84.405 4.836 0.352 1.00 1.34 C ATOM 1177 CD1 ILE A 72 85.529 3.248 -2.845 1.00 1.56 C ATOM 0 H ILE A 72 85.485 6.625 -1.439 1.00 0.87 H new ATOM 0 HA ILE A 72 86.990 5.341 0.597 1.00 0.86 H new ATOM 0 HB ILE A 72 85.733 3.310 -0.371 1.00 0.90 H new ATOM 0 HG12 ILE A 72 83.894 4.425 -2.063 1.00 0.95 H new ATOM 0 HG13 ILE A 72 85.303 5.370 -2.502 1.00 0.95 H new ATOM 0 HG21 ILE A 72 83.514 4.219 0.239 1.00 1.34 H new ATOM 0 HG22 ILE A 72 84.768 4.765 1.377 1.00 1.34 H new ATOM 0 HG23 ILE A 72 84.159 5.873 0.125 1.00 1.34 H new ATOM 0 HD11 ILE A 72 85.170 3.306 -3.873 1.00 1.56 H new ATOM 0 HD12 ILE A 72 86.619 3.276 -2.839 1.00 1.56 H new ATOM 0 HD13 ILE A 72 85.187 2.317 -2.393 1.00 1.56 H new ATOM 1189 N GLN A 73 87.954 4.616 -2.457 1.00 0.88 N ATOM 1190 CA GLN A 73 89.092 4.027 -3.207 1.00 0.98 C ATOM 1191 C GLN A 73 90.365 4.746 -2.778 1.00 1.06 C ATOM 1192 O GLN A 73 91.456 4.232 -2.893 1.00 1.16 O ATOM 1193 CB GLN A 73 88.787 4.296 -4.682 1.00 1.05 C ATOM 1194 CG GLN A 73 89.094 3.043 -5.505 1.00 1.30 C ATOM 1195 CD GLN A 73 90.495 3.159 -6.108 1.00 1.85 C ATOM 1196 OE1 GLN A 73 90.661 3.075 -7.309 1.00 2.66 O ATOM 1197 NE2 GLN A 73 91.518 3.349 -5.320 1.00 2.35 N ATOM 0 H GLN A 73 87.234 5.054 -3.032 1.00 0.88 H new ATOM 0 HA GLN A 73 89.225 2.960 -3.026 1.00 0.98 H new ATOM 0 HB2 GLN A 73 87.740 4.575 -4.803 1.00 1.05 H new ATOM 0 HB3 GLN A 73 89.384 5.134 -5.040 1.00 1.05 H new ATOM 0 HG2 GLN A 73 89.030 2.156 -4.874 1.00 1.30 H new ATOM 0 HG3 GLN A 73 88.354 2.925 -6.297 1.00 1.30 H new ATOM 0 HE21 GLN A 73 91.379 3.420 -4.312 1.00 2.35 H new ATOM 0 HE22 GLN A 73 92.456 3.427 -5.712 1.00 2.35 H new ATOM 1206 N GLY A 74 90.218 5.937 -2.265 1.00 1.07 N ATOM 1207 CA GLY A 74 91.404 6.702 -1.801 1.00 1.21 C ATOM 1208 C GLY A 74 91.960 6.022 -0.552 1.00 1.19 C ATOM 1209 O GLY A 74 93.142 5.761 -0.451 1.00 1.27 O ATOM 0 H GLY A 74 89.323 6.413 -2.148 1.00 1.07 H new ATOM 0 HA2 GLY A 74 92.162 6.736 -2.583 1.00 1.21 H new ATOM 0 HA3 GLY A 74 91.127 7.733 -1.580 1.00 1.21 H new ATOM 1213 N LEU A 75 91.114 5.719 0.399 1.00 1.11 N ATOM 1214 CA LEU A 75 91.612 5.039 1.632 1.00 1.14 C ATOM 1215 C LEU A 75 91.849 3.553 1.347 1.00 1.09 C ATOM 1216 O LEU A 75 92.765 2.948 1.868 1.00 1.21 O ATOM 1217 CB LEU A 75 90.508 5.216 2.672 1.00 1.12 C ATOM 1218 CG LEU A 75 90.798 4.329 3.888 1.00 1.19 C ATOM 1219 CD1 LEU A 75 90.483 5.102 5.170 1.00 1.78 C ATOM 1220 CD2 LEU A 75 89.924 3.075 3.825 1.00 1.61 C ATOM 0 H LEU A 75 90.112 5.910 0.377 1.00 1.11 H new ATOM 0 HA LEU A 75 92.557 5.457 1.978 1.00 1.14 H new ATOM 0 HB2 LEU A 75 90.447 6.260 2.978 1.00 1.12 H new ATOM 0 HB3 LEU A 75 89.542 4.953 2.240 1.00 1.12 H new ATOM 0 HG LEU A 75 91.849 4.041 3.884 1.00 1.19 H new ATOM 0 HD11 LEU A 75 90.689 4.472 6.035 1.00 1.78 H new ATOM 0 HD12 LEU A 75 91.104 5.997 5.217 1.00 1.78 H new ATOM 0 HD13 LEU A 75 89.432 5.389 5.173 1.00 1.78 H new ATOM 0 HD21 LEU A 75 90.130 2.444 4.690 1.00 1.61 H new ATOM 0 HD22 LEU A 75 88.873 3.364 3.829 1.00 1.61 H new ATOM 0 HD23 LEU A 75 90.145 2.523 2.912 1.00 1.61 H new ATOM 1232 N LEU A 76 91.031 2.966 0.518 1.00 0.96 N ATOM 1233 CA LEU A 76 91.205 1.522 0.187 1.00 0.97 C ATOM 1234 C LEU A 76 92.125 1.373 -1.028 1.00 1.05 C ATOM 1235 O LEU A 76 92.537 0.285 -1.376 1.00 1.12 O ATOM 1236 CB LEU A 76 89.799 1.018 -0.139 1.00 0.93 C ATOM 1237 CG LEU A 76 89.369 -0.009 0.908 1.00 0.96 C ATOM 1238 CD1 LEU A 76 88.992 0.711 2.204 1.00 0.99 C ATOM 1239 CD2 LEU A 76 88.160 -0.789 0.388 1.00 0.96 C ATOM 0 H LEU A 76 90.247 3.425 0.054 1.00 0.96 H new ATOM 0 HA LEU A 76 91.658 0.959 1.003 1.00 0.97 H new ATOM 0 HB2 LEU A 76 89.097 1.852 -0.155 1.00 0.93 H new ATOM 0 HB3 LEU A 76 89.784 0.569 -1.132 1.00 0.93 H new ATOM 0 HG LEU A 76 90.191 -0.698 1.102 1.00 0.96 H new ATOM 0 HD11 LEU A 76 88.685 -0.021 2.951 1.00 0.99 H new ATOM 0 HD12 LEU A 76 89.852 1.268 2.574 1.00 0.99 H new ATOM 0 HD13 LEU A 76 88.169 1.400 2.012 1.00 0.99 H new ATOM 0 HD21 LEU A 76 87.852 -1.522 1.134 1.00 0.96 H new ATOM 0 HD22 LEU A 76 87.338 -0.100 0.195 1.00 0.96 H new ATOM 0 HD23 LEU A 76 88.428 -1.302 -0.536 1.00 0.96 H new ATOM 1251 N LYS A 77 92.437 2.465 -1.677 1.00 1.09 N ATOM 1252 CA LYS A 77 93.323 2.410 -2.880 1.00 1.21 C ATOM 1253 C LYS A 77 94.309 1.247 -2.769 1.00 1.29 C ATOM 1254 O LYS A 77 94.583 0.558 -3.732 1.00 1.38 O ATOM 1255 CB LYS A 77 94.071 3.745 -2.882 1.00 1.31 C ATOM 1256 CG LYS A 77 95.304 3.642 -3.781 1.00 1.91 C ATOM 1257 CD LYS A 77 95.917 5.031 -3.967 1.00 2.43 C ATOM 1258 CE LYS A 77 97.309 4.897 -4.588 1.00 2.84 C ATOM 1259 NZ LYS A 77 97.424 6.049 -5.525 1.00 3.39 N ATOM 0 H LYS A 77 92.114 3.399 -1.424 1.00 1.09 H new ATOM 0 HA LYS A 77 92.756 2.254 -3.798 1.00 1.21 H new ATOM 0 HB2 LYS A 77 93.415 4.540 -3.237 1.00 1.31 H new ATOM 0 HB3 LYS A 77 94.370 4.007 -1.867 1.00 1.31 H new ATOM 0 HG2 LYS A 77 96.035 2.966 -3.337 1.00 1.91 H new ATOM 0 HG3 LYS A 77 95.028 3.222 -4.748 1.00 1.91 H new ATOM 0 HD2 LYS A 77 95.278 5.639 -4.608 1.00 2.43 H new ATOM 0 HD3 LYS A 77 95.984 5.542 -3.007 1.00 2.43 H new ATOM 0 HE2 LYS A 77 98.087 4.929 -3.825 1.00 2.84 H new ATOM 0 HE3 LYS A 77 97.417 3.948 -5.113 1.00 2.84 H new ATOM 0 HZ1 LYS A 77 98.354 6.026 -5.991 1.00 3.39 H new ATOM 0 HZ2 LYS A 77 96.675 5.988 -6.244 1.00 3.39 H new ATOM 0 HZ3 LYS A 77 97.324 6.938 -4.996 1.00 3.39 H new ATOM 1273 N SER A 78 94.844 1.024 -1.603 1.00 1.30 N ATOM 1274 CA SER A 78 95.811 -0.094 -1.432 1.00 1.40 C ATOM 1275 C SER A 78 95.262 -1.373 -2.071 1.00 1.42 C ATOM 1276 O SER A 78 95.849 -1.921 -2.983 1.00 1.53 O ATOM 1277 CB SER A 78 95.949 -0.267 0.078 1.00 1.43 C ATOM 1278 OG SER A 78 97.242 0.163 0.484 1.00 1.61 O ATOM 0 H SER A 78 94.654 1.567 -0.761 1.00 1.30 H new ATOM 0 HA SER A 78 96.769 0.112 -1.909 1.00 1.40 H new ATOM 0 HB2 SER A 78 95.182 0.311 0.593 1.00 1.43 H new ATOM 0 HB3 SER A 78 95.798 -1.311 0.351 1.00 1.43 H new ATOM 0 HG SER A 78 97.912 -0.486 0.184 1.00 1.61 H new ATOM 1284 N CYS A 79 94.142 -1.853 -1.598 1.00 1.36 N ATOM 1285 CA CYS A 79 93.560 -3.101 -2.176 1.00 1.44 C ATOM 1286 C CYS A 79 94.580 -4.240 -2.087 1.00 1.60 C ATOM 1287 O CYS A 79 95.720 -4.099 -2.483 1.00 1.85 O ATOM 1288 CB CYS A 79 93.247 -2.756 -3.632 1.00 1.48 C ATOM 1289 SG CYS A 79 93.009 -4.278 -4.582 1.00 2.25 S ATOM 0 H CYS A 79 93.605 -1.436 -0.837 1.00 1.36 H new ATOM 0 HA CYS A 79 92.668 -3.434 -1.645 1.00 1.44 H new ATOM 0 HB2 CYS A 79 92.350 -2.139 -3.685 1.00 1.48 H new ATOM 0 HB3 CYS A 79 94.061 -2.172 -4.061 1.00 1.48 H new ATOM 0 HG CYS A 79 92.741 -3.980 -5.819 1.00 2.25 H new ATOM 1295 N THR A 80 94.190 -5.362 -1.547 1.00 1.57 N ATOM 1296 CA THR A 80 95.157 -6.491 -1.412 1.00 1.72 C ATOM 1297 C THR A 80 94.501 -7.837 -1.745 1.00 1.82 C ATOM 1298 O THR A 80 95.148 -8.865 -1.734 1.00 2.27 O ATOM 1299 CB THR A 80 95.564 -6.457 0.062 1.00 1.74 C ATOM 1300 OG1 THR A 80 95.995 -7.750 0.463 1.00 1.87 O ATOM 1301 CG2 THR A 80 94.361 -6.029 0.911 1.00 1.69 C ATOM 0 H THR A 80 93.251 -5.547 -1.195 1.00 1.57 H new ATOM 0 HA THR A 80 96.000 -6.388 -2.095 1.00 1.72 H new ATOM 0 HB THR A 80 96.378 -5.746 0.201 1.00 1.74 H new ATOM 0 HG1 THR A 80 96.124 -8.312 -0.329 1.00 1.87 H new ATOM 0 HG21 THR A 80 94.648 -6.004 1.962 1.00 1.69 H new ATOM 0 HG22 THR A 80 94.031 -5.037 0.601 1.00 1.69 H new ATOM 0 HG23 THR A 80 93.547 -6.741 0.774 1.00 1.69 H new ATOM 1309 N ASN A 81 93.227 -7.852 -2.021 1.00 1.65 N ATOM 1310 CA ASN A 81 92.555 -9.150 -2.326 1.00 1.75 C ATOM 1311 C ASN A 81 91.219 -8.892 -3.060 1.00 1.76 C ATOM 1312 O ASN A 81 91.236 -8.243 -4.086 1.00 1.74 O ATOM 1313 CB ASN A 81 92.400 -9.793 -0.951 1.00 1.82 C ATOM 1314 CG ASN A 81 92.086 -8.706 0.077 1.00 1.81 C ATOM 1315 OD1 ASN A 81 92.774 -8.586 1.071 1.00 2.20 O ATOM 1316 ND2 ASN A 81 91.075 -7.899 -0.123 1.00 1.74 N ATOM 0 H ASN A 81 92.624 -7.030 -2.049 1.00 1.65 H new ATOM 0 HA ASN A 81 93.106 -9.807 -3.000 1.00 1.75 H new ATOM 0 HB2 ASN A 81 91.601 -10.534 -0.970 1.00 1.82 H new ATOM 0 HB3 ASN A 81 93.315 -10.318 -0.676 1.00 1.82 H new ATOM 0 HD21 ASN A 81 90.864 -7.168 0.556 1.00 1.74 H new ATOM 0 HD22 ASN A 81 90.498 -8.001 -0.958 1.00 1.74 H new ATOM 1323 N PRO A 82 90.091 -9.380 -2.560 1.00 1.86 N ATOM 1324 CA PRO A 82 88.821 -9.122 -3.278 1.00 1.89 C ATOM 1325 C PRO A 82 88.455 -7.636 -3.219 1.00 1.64 C ATOM 1326 O PRO A 82 87.368 -7.245 -3.596 1.00 1.63 O ATOM 1327 CB PRO A 82 87.794 -9.977 -2.545 1.00 2.10 C ATOM 1328 CG PRO A 82 88.363 -10.164 -1.184 1.00 2.12 C ATOM 1329 CD PRO A 82 89.858 -10.182 -1.344 1.00 2.03 C ATOM 0 HA PRO A 82 88.880 -9.370 -4.338 1.00 1.89 H new ATOM 0 HB2 PRO A 82 86.823 -9.483 -2.504 1.00 2.10 H new ATOM 0 HB3 PRO A 82 87.644 -10.933 -3.047 1.00 2.10 H new ATOM 0 HG2 PRO A 82 88.054 -9.357 -0.520 1.00 2.12 H new ATOM 0 HG3 PRO A 82 88.009 -11.095 -0.740 1.00 2.12 H new ATOM 0 HD2 PRO A 82 90.358 -9.750 -0.478 1.00 2.03 H new ATOM 0 HD3 PRO A 82 90.236 -11.198 -1.456 1.00 2.03 H new ATOM 1337 N THR A 83 89.357 -6.800 -2.765 1.00 1.53 N ATOM 1338 CA THR A 83 89.051 -5.344 -2.710 1.00 1.33 C ATOM 1339 C THR A 83 88.297 -4.952 -3.975 1.00 1.28 C ATOM 1340 O THR A 83 87.473 -4.059 -3.974 1.00 1.18 O ATOM 1341 CB THR A 83 90.413 -4.648 -2.651 1.00 1.27 C ATOM 1342 OG1 THR A 83 91.395 -5.572 -2.206 1.00 1.43 O ATOM 1343 CG2 THR A 83 90.345 -3.466 -1.683 1.00 1.24 C ATOM 0 H THR A 83 90.285 -7.064 -2.433 1.00 1.53 H new ATOM 0 HA THR A 83 88.432 -5.070 -1.856 1.00 1.33 H new ATOM 0 HB THR A 83 90.678 -4.284 -3.644 1.00 1.27 H new ATOM 0 HG1 THR A 83 92.143 -5.585 -2.839 1.00 1.43 H new ATOM 0 HG21 THR A 83 91.316 -2.972 -1.643 1.00 1.24 H new ATOM 0 HG22 THR A 83 89.591 -2.757 -2.026 1.00 1.24 H new ATOM 0 HG23 THR A 83 90.079 -3.825 -0.689 1.00 1.24 H new ATOM 1351 N GLU A 84 88.561 -5.638 -5.053 1.00 1.40 N ATOM 1352 CA GLU A 84 87.849 -5.337 -6.319 1.00 1.42 C ATOM 1353 C GLU A 84 86.367 -5.128 -6.016 1.00 1.37 C ATOM 1354 O GLU A 84 85.683 -4.371 -6.675 1.00 1.35 O ATOM 1355 CB GLU A 84 88.058 -6.580 -7.184 1.00 1.62 C ATOM 1356 CG GLU A 84 88.250 -6.161 -8.642 1.00 1.74 C ATOM 1357 CD GLU A 84 87.072 -6.666 -9.479 1.00 1.57 C ATOM 1358 OE1 GLU A 84 85.955 -6.599 -8.993 1.00 2.05 O ATOM 1359 OE2 GLU A 84 87.308 -7.110 -10.590 1.00 2.04 O ATOM 0 H GLU A 84 89.242 -6.396 -5.108 1.00 1.40 H new ATOM 0 HA GLU A 84 88.211 -4.437 -6.816 1.00 1.42 H new ATOM 0 HB2 GLU A 84 88.929 -7.135 -6.837 1.00 1.62 H new ATOM 0 HB3 GLU A 84 87.199 -7.246 -7.096 1.00 1.62 H new ATOM 0 HG2 GLU A 84 88.321 -5.076 -8.713 1.00 1.74 H new ATOM 0 HG3 GLU A 84 89.185 -6.568 -9.028 1.00 1.74 H new ATOM 1366 N ASN A 85 85.873 -5.789 -5.004 1.00 1.40 N ATOM 1367 CA ASN A 85 84.442 -5.628 -4.631 1.00 1.38 C ATOM 1368 C ASN A 85 84.238 -4.269 -3.962 1.00 1.20 C ATOM 1369 O ASN A 85 83.436 -3.468 -4.393 1.00 1.14 O ATOM 1370 CB ASN A 85 84.159 -6.762 -3.644 1.00 1.53 C ATOM 1371 CG ASN A 85 83.693 -8.001 -4.409 1.00 2.01 C ATOM 1372 OD1 ASN A 85 83.847 -8.081 -5.612 1.00 2.51 O ATOM 1373 ND2 ASN A 85 83.124 -8.979 -3.759 1.00 2.35 N ATOM 0 H ASN A 85 86.402 -6.435 -4.419 1.00 1.40 H new ATOM 0 HA ASN A 85 83.776 -5.669 -5.493 1.00 1.38 H new ATOM 0 HB2 ASN A 85 85.057 -6.992 -3.071 1.00 1.53 H new ATOM 0 HB3 ASN A 85 83.395 -6.454 -2.930 1.00 1.53 H new ATOM 0 HD21 ASN A 85 82.809 -9.809 -4.260 1.00 2.35 H new ATOM 0 HD22 ASN A 85 82.994 -8.913 -2.749 1.00 2.35 H new ATOM 1380 N PHE A 86 84.966 -3.997 -2.915 1.00 1.14 N ATOM 1381 CA PHE A 86 84.816 -2.685 -2.227 1.00 1.00 C ATOM 1382 C PHE A 86 84.863 -1.546 -3.246 1.00 0.88 C ATOM 1383 O PHE A 86 83.966 -0.733 -3.323 1.00 0.79 O ATOM 1384 CB PHE A 86 86.004 -2.598 -1.267 1.00 1.01 C ATOM 1385 CG PHE A 86 85.576 -1.854 -0.029 1.00 0.95 C ATOM 1386 CD1 PHE A 86 85.228 -0.504 -0.118 1.00 0.85 C ATOM 1387 CD2 PHE A 86 85.506 -2.516 1.201 1.00 1.22 C ATOM 1388 CE1 PHE A 86 84.808 0.188 1.024 1.00 0.87 C ATOM 1389 CE2 PHE A 86 85.088 -1.824 2.342 1.00 1.23 C ATOM 1390 CZ PHE A 86 84.738 -0.472 2.253 1.00 0.98 C ATOM 0 H PHE A 86 85.658 -4.626 -2.507 1.00 1.14 H new ATOM 0 HA PHE A 86 83.864 -2.602 -1.702 1.00 1.00 H new ATOM 0 HB2 PHE A 86 86.351 -3.597 -1.005 1.00 1.01 H new ATOM 0 HB3 PHE A 86 86.839 -2.086 -1.745 1.00 1.01 H new ATOM 0 HD1 PHE A 86 85.283 0.006 -1.068 1.00 0.85 H new ATOM 0 HD2 PHE A 86 85.774 -3.560 1.269 1.00 1.22 H new ATOM 0 HE1 PHE A 86 84.538 1.231 0.955 1.00 0.87 H new ATOM 0 HE2 PHE A 86 85.035 -2.333 3.293 1.00 1.23 H new ATOM 0 HZ PHE A 86 84.414 0.061 3.135 1.00 0.98 H new ATOM 1400 N VAL A 87 85.902 -1.479 -4.030 1.00 0.94 N ATOM 1401 CA VAL A 87 85.996 -0.383 -5.039 1.00 0.92 C ATOM 1402 C VAL A 87 84.867 -0.502 -6.066 1.00 0.93 C ATOM 1403 O VAL A 87 84.200 0.463 -6.382 1.00 0.87 O ATOM 1404 CB VAL A 87 87.355 -0.565 -5.714 1.00 1.08 C ATOM 1405 CG1 VAL A 87 87.718 0.712 -6.477 1.00 1.12 C ATOM 1406 CG2 VAL A 87 88.420 -0.840 -4.650 1.00 1.18 C ATOM 0 H VAL A 87 86.687 -2.130 -4.018 1.00 0.94 H new ATOM 0 HA VAL A 87 85.902 0.600 -4.578 1.00 0.92 H new ATOM 0 HB VAL A 87 87.307 -1.405 -6.407 1.00 1.08 H new ATOM 0 HG11 VAL A 87 88.687 0.585 -6.959 1.00 1.12 H new ATOM 0 HG12 VAL A 87 86.959 0.912 -7.234 1.00 1.12 H new ATOM 0 HG13 VAL A 87 87.766 1.550 -5.782 1.00 1.12 H new ATOM 0 HG21 VAL A 87 89.390 -0.970 -5.131 1.00 1.18 H new ATOM 0 HG22 VAL A 87 88.468 0.000 -3.958 1.00 1.18 H new ATOM 0 HG23 VAL A 87 88.162 -1.747 -4.103 1.00 1.18 H new ATOM 1416 N GLN A 88 84.649 -1.675 -6.596 1.00 1.10 N ATOM 1417 CA GLN A 88 83.566 -1.839 -7.607 1.00 1.19 C ATOM 1418 C GLN A 88 82.188 -1.700 -6.948 1.00 1.09 C ATOM 1419 O GLN A 88 81.231 -1.314 -7.587 1.00 1.10 O ATOM 1420 CB GLN A 88 83.763 -3.240 -8.196 1.00 1.41 C ATOM 1421 CG GLN A 88 83.127 -4.290 -7.284 1.00 1.84 C ATOM 1422 CD GLN A 88 81.804 -4.762 -7.891 1.00 2.40 C ATOM 1423 OE1 GLN A 88 80.788 -4.780 -7.224 1.00 2.65 O ATOM 1424 NE2 GLN A 88 81.773 -5.148 -9.137 1.00 3.17 N ATOM 0 H GLN A 88 85.171 -2.523 -6.374 1.00 1.10 H new ATOM 0 HA GLN A 88 83.612 -1.074 -8.382 1.00 1.19 H new ATOM 0 HB2 GLN A 88 83.316 -3.291 -9.189 1.00 1.41 H new ATOM 0 HB3 GLN A 88 84.827 -3.447 -8.314 1.00 1.41 H new ATOM 0 HG2 GLN A 88 83.804 -5.135 -7.159 1.00 1.84 H new ATOM 0 HG3 GLN A 88 82.955 -3.870 -6.293 1.00 1.84 H new ATOM 0 HE21 GLN A 88 82.625 -5.133 -9.697 1.00 3.17 H new ATOM 0 HE22 GLN A 88 80.896 -5.465 -9.551 1.00 3.17 H new ATOM 1433 N GLU A 89 82.070 -2.000 -5.679 1.00 1.06 N ATOM 1434 CA GLU A 89 80.738 -1.859 -5.021 1.00 1.04 C ATOM 1435 C GLU A 89 80.355 -0.383 -4.962 1.00 0.87 C ATOM 1436 O GLU A 89 79.368 0.031 -5.537 1.00 0.91 O ATOM 1437 CB GLU A 89 80.896 -2.428 -3.613 1.00 1.08 C ATOM 1438 CG GLU A 89 79.538 -2.940 -3.130 1.00 1.30 C ATOM 1439 CD GLU A 89 78.920 -3.851 -4.193 1.00 1.63 C ATOM 1440 OE1 GLU A 89 79.585 -4.790 -4.598 1.00 2.13 O ATOM 1441 OE2 GLU A 89 77.794 -3.593 -4.584 1.00 1.99 O ATOM 0 H GLU A 89 82.826 -2.331 -5.079 1.00 1.06 H new ATOM 0 HA GLU A 89 79.955 -2.385 -5.567 1.00 1.04 H new ATOM 0 HB2 GLU A 89 81.626 -3.238 -3.613 1.00 1.08 H new ATOM 0 HB3 GLU A 89 81.272 -1.661 -2.936 1.00 1.08 H new ATOM 0 HG2 GLU A 89 79.657 -3.486 -2.194 1.00 1.30 H new ATOM 0 HG3 GLU A 89 78.874 -2.100 -2.927 1.00 1.30 H new ATOM 1448 N LEU A 90 81.130 0.426 -4.288 1.00 0.73 N ATOM 1449 CA LEU A 90 80.791 1.866 -4.230 1.00 0.63 C ATOM 1450 C LEU A 90 80.524 2.364 -5.655 1.00 0.67 C ATOM 1451 O LEU A 90 79.584 3.094 -5.914 1.00 0.70 O ATOM 1452 CB LEU A 90 82.038 2.530 -3.646 1.00 0.60 C ATOM 1453 CG LEU A 90 82.226 2.053 -2.208 1.00 0.67 C ATOM 1454 CD1 LEU A 90 83.607 1.413 -2.057 1.00 1.22 C ATOM 1455 CD2 LEU A 90 82.106 3.240 -1.251 1.00 1.30 C ATOM 0 H LEU A 90 81.972 0.150 -3.783 1.00 0.73 H new ATOM 0 HA LEU A 90 79.905 2.083 -3.633 1.00 0.63 H new ATOM 0 HB2 LEU A 90 82.914 2.278 -4.244 1.00 0.60 H new ATOM 0 HB3 LEU A 90 81.935 3.615 -3.673 1.00 0.60 H new ATOM 0 HG LEU A 90 81.457 1.318 -1.970 1.00 0.67 H new ATOM 0 HD11 LEU A 90 83.740 1.073 -1.030 1.00 1.22 H new ATOM 0 HD12 LEU A 90 83.690 0.563 -2.734 1.00 1.22 H new ATOM 0 HD13 LEU A 90 84.376 2.146 -2.299 1.00 1.22 H new ATOM 0 HD21 LEU A 90 82.241 2.896 -0.226 1.00 1.30 H new ATOM 0 HD22 LEU A 90 82.872 3.978 -1.489 1.00 1.30 H new ATOM 0 HD23 LEU A 90 81.120 3.693 -1.355 1.00 1.30 H new ATOM 1467 N LEU A 91 81.334 1.943 -6.588 1.00 0.74 N ATOM 1468 CA LEU A 91 81.127 2.356 -8.003 1.00 0.85 C ATOM 1469 C LEU A 91 79.873 1.674 -8.558 1.00 0.96 C ATOM 1470 O LEU A 91 79.028 2.298 -9.172 1.00 1.00 O ATOM 1471 CB LEU A 91 82.374 1.860 -8.736 1.00 0.95 C ATOM 1472 CG LEU A 91 82.810 2.892 -9.775 1.00 1.42 C ATOM 1473 CD1 LEU A 91 83.303 4.153 -9.065 1.00 2.11 C ATOM 1474 CD2 LEU A 91 83.944 2.308 -10.621 1.00 1.93 C ATOM 0 H LEU A 91 82.133 1.329 -6.429 1.00 0.74 H new ATOM 0 HA LEU A 91 80.988 3.431 -8.115 1.00 0.85 H new ATOM 0 HB2 LEU A 91 83.180 1.685 -8.023 1.00 0.95 H new ATOM 0 HB3 LEU A 91 82.166 0.907 -9.222 1.00 0.95 H new ATOM 0 HG LEU A 91 81.966 3.144 -10.417 1.00 1.42 H new ATOM 0 HD11 LEU A 91 83.614 4.890 -9.806 1.00 2.11 H new ATOM 0 HD12 LEU A 91 82.498 4.567 -8.458 1.00 2.11 H new ATOM 0 HD13 LEU A 91 84.149 3.903 -8.425 1.00 2.11 H new ATOM 0 HD21 LEU A 91 84.258 3.041 -11.364 1.00 1.93 H new ATOM 0 HD22 LEU A 91 84.788 2.059 -9.977 1.00 1.93 H new ATOM 0 HD23 LEU A 91 83.595 1.407 -11.125 1.00 1.93 H new ATOM 1486 N VAL A 92 79.749 0.392 -8.341 1.00 1.07 N ATOM 1487 CA VAL A 92 78.556 -0.344 -8.846 1.00 1.23 C ATOM 1488 C VAL A 92 77.274 0.336 -8.363 1.00 1.17 C ATOM 1489 O VAL A 92 76.318 0.471 -9.102 1.00 1.30 O ATOM 1490 CB VAL A 92 78.679 -1.750 -8.257 1.00 1.38 C ATOM 1491 CG1 VAL A 92 77.302 -2.418 -8.224 1.00 1.86 C ATOM 1492 CG2 VAL A 92 79.624 -2.583 -9.126 1.00 1.86 C ATOM 0 H VAL A 92 80.426 -0.178 -7.834 1.00 1.07 H new ATOM 0 HA VAL A 92 78.511 -0.364 -9.935 1.00 1.23 H new ATOM 0 HB VAL A 92 79.074 -1.683 -7.243 1.00 1.38 H new ATOM 0 HG11 VAL A 92 77.393 -3.420 -7.804 1.00 1.86 H new ATOM 0 HG12 VAL A 92 76.625 -1.826 -7.608 1.00 1.86 H new ATOM 0 HG13 VAL A 92 76.905 -2.484 -9.237 1.00 1.86 H new ATOM 0 HG21 VAL A 92 79.713 -3.586 -8.708 1.00 1.86 H new ATOM 0 HG22 VAL A 92 79.226 -2.646 -10.139 1.00 1.86 H new ATOM 0 HG23 VAL A 92 80.606 -2.111 -9.151 1.00 1.86 H new ATOM 1502 N LYS A 93 77.242 0.776 -7.134 1.00 1.02 N ATOM 1503 CA LYS A 93 76.022 1.451 -6.628 1.00 1.00 C ATOM 1504 C LYS A 93 75.780 2.719 -7.440 1.00 0.93 C ATOM 1505 O LYS A 93 74.681 2.981 -7.889 1.00 1.06 O ATOM 1506 CB LYS A 93 76.327 1.788 -5.169 1.00 0.92 C ATOM 1507 CG LYS A 93 76.961 0.575 -4.485 1.00 1.24 C ATOM 1508 CD LYS A 93 76.078 0.125 -3.319 1.00 1.41 C ATOM 1509 CE LYS A 93 75.944 -1.399 -3.339 1.00 1.54 C ATOM 1510 NZ LYS A 93 75.466 -1.725 -4.712 1.00 1.80 N ATOM 0 H LYS A 93 78.007 0.696 -6.464 1.00 1.02 H new ATOM 0 HA LYS A 93 75.128 0.833 -6.712 1.00 1.00 H new ATOM 0 HB2 LYS A 93 77.002 2.642 -5.116 1.00 0.92 H new ATOM 0 HB3 LYS A 93 75.411 2.073 -4.652 1.00 0.92 H new ATOM 0 HG2 LYS A 93 77.079 -0.239 -5.201 1.00 1.24 H new ATOM 0 HG3 LYS A 93 77.958 0.828 -4.123 1.00 1.24 H new ATOM 0 HD2 LYS A 93 76.512 0.450 -2.374 1.00 1.41 H new ATOM 0 HD3 LYS A 93 75.094 0.588 -3.394 1.00 1.41 H new ATOM 0 HE2 LYS A 93 76.898 -1.882 -3.128 1.00 1.54 H new ATOM 0 HE3 LYS A 93 75.238 -1.743 -2.583 1.00 1.54 H new ATOM 0 HZ1 LYS A 93 74.900 -2.597 -4.685 1.00 1.80 H new ATOM 0 HZ2 LYS A 93 74.881 -0.944 -5.070 1.00 1.80 H new ATOM 0 HZ3 LYS A 93 76.283 -1.862 -5.341 1.00 1.80 H new ATOM 1524 N LEU A 94 76.800 3.511 -7.642 1.00 0.82 N ATOM 1525 CA LEU A 94 76.616 4.757 -8.435 1.00 0.88 C ATOM 1526 C LEU A 94 76.276 4.406 -9.882 1.00 1.07 C ATOM 1527 O LEU A 94 75.866 5.247 -10.657 1.00 1.21 O ATOM 1528 CB LEU A 94 77.954 5.485 -8.346 1.00 0.91 C ATOM 1529 CG LEU A 94 78.002 6.280 -7.043 1.00 1.33 C ATOM 1530 CD1 LEU A 94 79.338 6.039 -6.342 1.00 1.82 C ATOM 1531 CD2 LEU A 94 77.848 7.770 -7.351 1.00 1.94 C ATOM 0 H LEU A 94 77.745 3.349 -7.294 1.00 0.82 H new ATOM 0 HA LEU A 94 75.800 5.376 -8.061 1.00 0.88 H new ATOM 0 HB2 LEU A 94 78.775 4.769 -8.381 1.00 0.91 H new ATOM 0 HB3 LEU A 94 78.077 6.152 -9.199 1.00 0.91 H new ATOM 0 HG LEU A 94 77.190 5.956 -6.391 1.00 1.33 H new ATOM 0 HD11 LEU A 94 79.369 6.608 -5.413 1.00 1.82 H new ATOM 0 HD12 LEU A 94 79.447 4.977 -6.121 1.00 1.82 H new ATOM 0 HD13 LEU A 94 80.153 6.360 -6.991 1.00 1.82 H new ATOM 0 HD21 LEU A 94 77.882 8.339 -6.422 1.00 1.94 H new ATOM 0 HD22 LEU A 94 78.659 8.092 -8.004 1.00 1.94 H new ATOM 0 HD23 LEU A 94 76.893 7.942 -7.847 1.00 1.94 H new ATOM 1543 N ARG A 95 76.432 3.165 -10.250 1.00 1.16 N ATOM 1544 CA ARG A 95 76.105 2.757 -11.644 1.00 1.38 C ATOM 1545 C ARG A 95 74.585 2.659 -11.818 1.00 1.43 C ATOM 1546 O ARG A 95 74.095 2.251 -12.852 1.00 1.58 O ATOM 1547 CB ARG A 95 76.757 1.385 -11.819 1.00 1.55 C ATOM 1548 CG ARG A 95 77.582 1.373 -13.108 1.00 2.01 C ATOM 1549 CD ARG A 95 78.587 2.526 -13.084 1.00 2.32 C ATOM 1550 NE ARG A 95 79.764 2.025 -13.847 1.00 2.83 N ATOM 1551 CZ ARG A 95 79.970 2.432 -15.070 1.00 3.35 C ATOM 1552 NH1 ARG A 95 79.021 2.330 -15.960 1.00 3.60 N ATOM 1553 NH2 ARG A 95 81.125 2.939 -15.403 1.00 4.00 N ATOM 0 H ARG A 95 76.772 2.416 -9.646 1.00 1.16 H new ATOM 0 HA ARG A 95 76.465 3.473 -12.382 1.00 1.38 H new ATOM 0 HB2 ARG A 95 77.395 1.162 -10.964 1.00 1.55 H new ATOM 0 HB3 ARG A 95 75.992 0.609 -11.857 1.00 1.55 H new ATOM 0 HG2 ARG A 95 78.106 0.422 -13.208 1.00 2.01 H new ATOM 0 HG3 ARG A 95 76.925 1.467 -13.973 1.00 2.01 H new ATOM 0 HD2 ARG A 95 78.171 3.422 -13.544 1.00 2.32 H new ATOM 0 HD3 ARG A 95 78.861 2.790 -12.063 1.00 2.32 H new ATOM 0 HE ARG A 95 80.409 1.364 -13.414 1.00 2.83 H new ATOM 0 HH11 ARG A 95 78.118 1.932 -15.700 1.00 3.60 H new ATOM 0 HH12 ARG A 95 79.182 2.648 -16.916 1.00 3.60 H new ATOM 0 HH21 ARG A 95 81.867 3.017 -14.708 1.00 4.00 H new ATOM 0 HH22 ARG A 95 81.286 3.257 -16.359 1.00 4.00 H new ATOM 1567 N GLY A 96 73.833 3.033 -10.814 1.00 1.34 N ATOM 1568 CA GLY A 96 72.351 2.964 -10.927 1.00 1.46 C ATOM 1569 C GLY A 96 71.830 4.288 -11.481 1.00 1.48 C ATOM 1570 O GLY A 96 70.937 4.320 -12.305 1.00 1.65 O ATOM 0 H GLY A 96 74.184 3.383 -9.923 1.00 1.34 H new ATOM 0 HA2 GLY A 96 72.062 2.142 -11.582 1.00 1.46 H new ATOM 0 HA3 GLY A 96 71.908 2.764 -9.951 1.00 1.46 H new ATOM 1574 N LEU A 97 72.385 5.384 -11.039 1.00 1.37 N ATOM 1575 CA LEU A 97 71.923 6.705 -11.548 1.00 1.46 C ATOM 1576 C LEU A 97 72.909 7.239 -12.591 1.00 1.63 C ATOM 1577 O LEU A 97 72.541 7.546 -13.707 1.00 2.26 O ATOM 1578 CB LEU A 97 71.884 7.620 -10.321 1.00 1.60 C ATOM 1579 CG LEU A 97 71.020 6.982 -9.231 1.00 1.19 C ATOM 1580 CD1 LEU A 97 71.923 6.387 -8.153 1.00 1.15 C ATOM 1581 CD2 LEU A 97 70.121 8.045 -8.598 1.00 1.13 C ATOM 0 H LEU A 97 73.136 5.421 -10.350 1.00 1.37 H new ATOM 0 HA LEU A 97 70.949 6.643 -12.033 1.00 1.46 H new ATOM 0 HB2 LEU A 97 72.894 7.787 -9.947 1.00 1.60 H new ATOM 0 HB3 LEU A 97 71.480 8.595 -10.595 1.00 1.60 H new ATOM 0 HG LEU A 97 70.404 6.199 -9.673 1.00 1.19 H new ATOM 0 HD11 LEU A 97 71.310 5.932 -7.375 1.00 1.15 H new ATOM 0 HD12 LEU A 97 72.568 5.629 -8.597 1.00 1.15 H new ATOM 0 HD13 LEU A 97 72.537 7.175 -7.717 1.00 1.15 H new ATOM 0 HD21 LEU A 97 69.507 7.587 -7.822 1.00 1.13 H new ATOM 0 HD22 LEU A 97 70.738 8.828 -8.157 1.00 1.13 H new ATOM 0 HD23 LEU A 97 69.476 8.478 -9.362 1.00 1.13 H new ATOM 1593 N HIS A 98 74.161 7.351 -12.236 1.00 1.49 N ATOM 1594 CA HIS A 98 75.171 7.861 -13.205 1.00 1.81 C ATOM 1595 C HIS A 98 75.268 6.925 -14.413 1.00 2.26 C ATOM 1596 O HIS A 98 75.867 7.253 -15.418 1.00 2.46 O ATOM 1597 CB HIS A 98 76.483 7.874 -12.425 1.00 1.64 C ATOM 1598 CG HIS A 98 76.269 8.558 -11.102 1.00 1.47 C ATOM 1599 ND1 HIS A 98 76.408 9.928 -10.950 1.00 1.59 N ATOM 1600 CD2 HIS A 98 75.919 8.077 -9.863 1.00 1.34 C ATOM 1601 CE1 HIS A 98 76.146 10.222 -9.664 1.00 1.54 C ATOM 1602 NE2 HIS A 98 75.843 9.131 -8.958 1.00 1.40 N ATOM 0 H HIS A 98 74.527 7.111 -11.315 1.00 1.49 H new ATOM 0 HA HIS A 98 74.916 8.847 -13.594 1.00 1.81 H new ATOM 0 HB2 HIS A 98 76.836 6.855 -12.267 1.00 1.64 H new ATOM 0 HB3 HIS A 98 77.253 8.393 -12.995 1.00 1.64 H new ATOM 0 HD1 HIS A 98 76.663 10.593 -11.680 1.00 1.59 H new ATOM 0 HD2 HIS A 98 75.732 7.040 -9.628 1.00 1.34 H new ATOM 0 HE1 HIS A 98 76.177 11.220 -9.253 1.00 1.54 H new ATOM 1610 N LYS A 99 74.683 5.761 -14.323 1.00 2.73 N ATOM 1611 CA LYS A 99 74.741 4.806 -15.466 1.00 3.36 C ATOM 1612 C LYS A 99 76.186 4.365 -15.716 1.00 3.64 C ATOM 1613 O LYS A 99 76.810 4.922 -16.604 1.00 3.94 O ATOM 1614 CB LYS A 99 74.205 5.589 -16.665 1.00 3.96 C ATOM 1615 CG LYS A 99 73.169 4.741 -17.407 1.00 4.45 C ATOM 1616 CD LYS A 99 72.761 5.449 -18.701 1.00 4.89 C ATOM 1617 CE LYS A 99 71.627 6.434 -18.408 1.00 5.59 C ATOM 1618 NZ LYS A 99 71.616 7.365 -19.571 1.00 5.99 N ATOM 1619 OXT LYS A 99 76.643 3.477 -15.014 1.00 4.06 O ATOM 0 H LYS A 99 74.168 5.430 -13.507 1.00 2.73 H new ATOM 0 HA LYS A 99 74.162 3.902 -15.277 1.00 3.36 H new ATOM 0 HB2 LYS A 99 73.754 6.523 -16.330 1.00 3.96 H new ATOM 0 HB3 LYS A 99 75.023 5.852 -17.336 1.00 3.96 H new ATOM 0 HG2 LYS A 99 73.583 3.758 -17.633 1.00 4.45 H new ATOM 0 HG3 LYS A 99 72.295 4.582 -16.776 1.00 4.45 H new ATOM 0 HD2 LYS A 99 73.615 5.977 -19.124 1.00 4.89 H new ATOM 0 HD3 LYS A 99 72.439 4.718 -19.442 1.00 4.89 H new ATOM 0 HE2 LYS A 99 70.672 5.918 -18.306 1.00 5.59 H new ATOM 0 HE3 LYS A 99 71.801 6.970 -17.475 1.00 5.59 H new ATOM 0 HZ1 LYS A 99 70.863 8.071 -19.443 1.00 5.99 H new ATOM 0 HZ2 LYS A 99 72.535 7.847 -19.639 1.00 5.99 H new ATOM 0 HZ3 LYS A 99 71.442 6.828 -20.444 1.00 5.99 H new TER 1633 LYS A 99 CONECT 212 226 CONECT 226 212 227 237 CONECT 227 226 228 235 238 CONECT 228 227 229 230 239 CONECT 229 228 240 241 242 CONECT 230 228 231 CONECT 231 230 232 233 234 CONECT 232 231 CONECT 233 231 CONECT 234 231 CONECT 235 227 236 243 CONECT 236 235 CONECT 237 226 CONECT 238 227 CONECT 239 228 CONECT 240 229 CONECT 241 229 CONECT 242 229 CONECT 243 235 END