USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) HEADER RIBOSOMAL PROTEIN 19-JUL-99 1QKF TITLE SOLUTION STRUCTURE OF THE RIBOSOMAL PROTEIN S19 FROM TITLE 2 THERMUS THERMOPHILUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: 30S RIBOSOMAL PROTEIN S19; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PACA; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PTTHS19 KEYWDS RIBOSOME, RIBOSOMAL PROTEIN, THERMUS THERMOPHILUS, S19 EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.HELGSTRAND,A.V.RAK,P.ALLARD,N.DAVYDOVA,M.B.GARBER,T.HARD REVDAT 3 24-FEB-09 1QKF 1 VERSN REVDAT 2 08-OCT-99 1QKF 1 JRNL REVDAT 1 20-JUL-99 1QKF 0 JRNL AUTH M.HELGSTRAND,A.V.RAK,P.ALLARD,N.DAVYDOVA, JRNL AUTH 2 M.B.GARBER,T.HARD JRNL TITL SOLUTION STRUCTURE OF THE RIBOSOMAL PROTEIN S19 JRNL TITL 2 FROM THERMUS THERMOPHILUS JRNL REF J.MOL.BIOL. V. 292 1071 1999 JRNL REFN ISSN 0022-2836 70 JRNL PMID 10512703 JRNL DOI 10.1006/JMBI.1999.3122 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER STRUCTURAL STATISTICS: 21 SA STRUCTURES REMARK 3 SAAVEMIN[A] RMS DEVIATIONS FROM EXP. RESTRAINTS REMARK 3 NOE DISTANCE RESTRAINTS (1104) 0.036 A 0.032 A REMARK 3 DIHEDRAL ANGLE RESTRAINTS (42) 0.380 DEG 0.380 REMARK 3 DEG DEVIATIONS FROM IDEAL GEOMETRY BONDS 0.0045 REMARK 3 A 0.0041 A ANGLES 0.71 DEG 0.66 DEG IMPROPERS REMARK 3 0.54 DEG 0.49 DEG REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WAS DETERMINED USING REMARK 3 1104 DISTANCE RESTRAINTS, 42 DIHEDRAL ANGLE RESTRAINTS AND 14 REMARK 3 HYDROGEN BOND RESTRAINTS. 50 STRUCTURES WERE CALCULATED AND REMARK 3 REFINED USING AN AB INITIO SIMULATED ANNEALING PROTOCOL FOR X- REMARK 3 PLOR AND THEN REFINED IN TWO STEPS. AN R-6 AVERAGING PROTOCOL REMARK 3 WAS USED FOR NON-STEREOSPECIFICALLY ASSIGNED PROTONS [1]. REMARK 3 DURING THE SIMULATED ANNEALING STEP AND THE FIRST REFINEMENT REMARK 3 STEP ONLY THE REPULSIVE PART OF THE VAN DER WAALS INTERACTION REMARK 3 WAS INCLUDED. IN THE SECOND REFINEMENT STEP THE VAN DER WAALS REMARK 3 INTERACTION WAS PARAMETERIZED USING A LENNARD-JONES POTENTIAL REMARK 3 INCLUDING THE ATTRACTIVE PART. 21 STRUCTURES WERE SELECTED ON REMARK 3 THE BASIS OF CUMULATIVE RMSD VALUES OF STRUCTURES, ORDERED REMARK 3 AFTER OVERALL ENERGY, AND RAMACHANDRAN BEHAVIOR FOR REGIONS REMARK 3 WITH LOW RESTRAINT DENSITIES. [1] BRUNGER, A. T., CLORE, G. REMARK 3 M., GRONENBORN, A. M. & KARPLUS, M. (1986). THREE-DIMENSIONAL REMARK 3 STRUCTURE OF PROTEINS DETERMINED BY MOLECULAR DYNAMICS WITH REMARK 3 INTERPROTON DISTANCE RESTRAINTS: APPLICATION TO CRAMBIN. PROC REMARK 3 NATL ACAD SCI USA 83, 3801-3805. OTHER DETAILS OF STRUCTURE REMARK 3 REFINEMENT CAN BE FOUND IN THE JRNL CITATION. REMARK 4 REMARK 4 1QKF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 19-JUL-99. REMARK 100 THE PDBE ID CODE IS EBI-2722. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 0.250 M REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 90% WATER/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCA; HN(CO)CA; CBCANH; REMARK 210 CBCA(CO)NH; C(CO)NH-TOCSY; REMARK 210 HCCH-TOCSY; (HB)CB(CGCD)HD; REMARK 210 (HB)CB(CGCDCE)HE; REMARK 210 15N-EDITED NOESY-HSQC; REMARK 210 15N-EDITED TOCSY-HSQC; 3D HNHA, REMARK 210 2D NOESY; 2D TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600; 800 REMARK 210 SPECTROMETER MODEL : UNITY INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 5.3, PRONTO (VERSION 970523), REMARK 210 X-PLOR (VERSION 3.851), REMARK 210 MOLMOL (VERSION 2.6), REMARK 210 PROCHECK-NMR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 21 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : CUMULATIVE RMSD OF STRUCTURES REMARK 210 SORTED AFTER TOTAL ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: MINIMIZED AVERAGE STRUCTURE. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 PRO A 2 REMARK 465 ARG A 3 REMARK 465 SER A 4 REMARK 465 LEU A 5 REMARK 465 LYS A 6 REMARK 465 LYS A 7 REMARK 465 ARG A 81 REMARK 465 GLY A 82 REMARK 465 HIS A 83 REMARK 465 GLY A 84 REMARK 465 LYS A 85 REMARK 465 GLU A 86 REMARK 465 ALA A 87 REMARK 465 LYS A 88 REMARK 465 ALA A 89 REMARK 465 THR A 90 REMARK 465 LYS A 91 REMARK 465 LYS A 92 REMARK 465 LYS A 93 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 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 ASP A 12 105.12 -51.35 REMARK 500 LYS A 28 74.79 -101.32 REMARK 500 ARG A 29 -153.12 -109.87 REMARK 500 TRP A 34 50.47 -147.68 REMARK 500 SER A 35 -94.33 -99.69 REMARK 500 ARG A 36 -65.36 -163.99 REMARK 500 SER A 38 123.12 -38.40 REMARK 500 LYS A 55 -30.45 -140.58 REMARK 500 PRO A 59 89.62 -66.00 REMARK 500 THR A 63 -159.45 -105.89 REMARK 500 HIS A 69 -82.36 -124.30 REMARK 500 LYS A 70 -31.52 177.69 REMARK 500 ARG A 78 -166.69 55.56 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 29 0.32 SIDE CHAIN REMARK 500 ARG A 36 0.32 SIDE CHAIN REMARK 500 ARG A 37 0.31 SIDE CHAIN REMARK 500 ARG A 78 0.30 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: KABSCH AND SANDER REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: KABSCH AND SANDER REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1QKH RELATED DB: PDB REMARK 900 THE ENSEMBLE OF 21 SOLUTION STRUCTURES REMARK 900 REMARK 900 THE EXPERIMENTAL RESTRAINTS ARE REMARK 900 PRESENTED IN PDB ENTRY 1QKFMR. DBREF 1QKF A 2 93 UNP P80381 RS19_THETH 2 93 SEQRES 1 A 92 PRO ARG SER LEU LYS LYS GLY VAL PHE VAL ASP ASP HIS SEQRES 2 A 92 LEU LEU GLU LYS VAL LEU GLU LEU ASN ALA LYS GLY GLU SEQRES 3 A 92 LYS ARG LEU ILE LYS THR TRP SER ARG ARG SER THR ILE SEQRES 4 A 92 VAL PRO GLU MET VAL GLY HIS THR ILE ALA VAL TYR ASN SEQRES 5 A 92 GLY LYS GLN HIS VAL PRO VAL TYR ILE THR GLU ASN MET SEQRES 6 A 92 VAL GLY HIS LYS LEU GLY GLU PHE ALA PRO THR ARG THR SEQRES 7 A 92 TYR ARG GLY HIS GLY LYS GLU ALA LYS ALA THR LYS LYS SEQRES 8 A 92 LYS HELIX 1 H1 ASP A 13 LYS A 25 1 13 HELIX 2 H2 PRO A 42 MET A 44 5 3 SHEET 1 S1 3 LEU A 30 LYS A 32 0 SHEET 2 S1 3 HIS A 47 TYR A 52 1 N ALA A 50 O ILE A 31 SHEET 3 S1 3 HIS A 57 ILE A 62 -1 N VAL A 58 O VAL A 51 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= 0.926 K(o=-2.1,f=-3.1) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -3.01 X(o=-2.1,f=-1.9) USER MOD Set 2.1: A 14 HIS : no HD1:sc= 0.0888 X(o=0.18,f=-0.11) USER MOD Set 2.2: A 18 LYS NZ :NH3+ -133:sc= 0.0956 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0852) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 35 SER OG : rot 117:sc= 0.977 USER MOD Single : A 38 SER OG : rot -20:sc= -1.87 USER MOD Single : A 39 THR OG1 : rot -90:sc= 0.649 USER MOD Single : A 44 MET CE :methyl 174:sc= -12.3! (180deg=-12.5!) USER MOD Single : A 48 THR OG1 : rot -64:sc= 0.291 USER MOD Single : A 52 TYR OH : rot -117:sc= 0.827 USER MOD Single : A 53 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.35) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.761 F(o=-1.8,f=-0.76) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -2.3! C(o=-3.8!,f=-2.3!) USER MOD Single : A 61 TYR OH : rot -15:sc= 0 USER MOD Single : A 63 THR OG1 : rot -100:sc= 0.214 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -107:sc= -0.315 (180deg=-1.7!) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.17! C(o=-6.8!,f=-4.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -80:sc= 0.386 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 8 45.938 -10.485 -2.234 1.00 4.02 N ATOM 2 CA GLY A 8 45.537 -9.071 -2.483 1.00 3.24 C ATOM 3 C GLY A 8 46.762 -8.161 -2.360 1.00 2.20 C ATOM 4 O GLY A 8 47.370 -7.791 -3.347 1.00 2.53 O ATOM 0 HA2 GLY A 8 45.099 -8.976 -3.477 1.00 3.24 H new ATOM 0 HA3 GLY A 8 44.773 -8.768 -1.768 1.00 3.24 H new ATOM 8 N VAL A 9 47.127 -7.801 -1.154 1.00 1.57 N ATOM 9 CA VAL A 9 48.316 -6.914 -0.958 1.00 1.05 C ATOM 10 C VAL A 9 49.244 -7.499 0.118 1.00 0.84 C ATOM 11 O VAL A 9 48.799 -7.967 1.150 1.00 1.00 O ATOM 12 CB VAL A 9 47.744 -5.556 -0.522 1.00 1.70 C ATOM 13 CG1 VAL A 9 47.096 -5.667 0.863 1.00 2.59 C ATOM 14 CG2 VAL A 9 48.871 -4.520 -0.472 1.00 2.47 C ATOM 0 H VAL A 9 46.653 -8.083 -0.296 1.00 1.57 H new ATOM 0 HA VAL A 9 48.914 -6.819 -1.864 1.00 1.05 H new ATOM 0 HB VAL A 9 46.987 -5.247 -1.243 1.00 1.70 H new ATOM 0 HG11 VAL A 9 46.696 -4.696 1.156 1.00 2.59 H new ATOM 0 HG12 VAL A 9 46.288 -6.397 0.829 1.00 2.59 H new ATOM 0 HG13 VAL A 9 47.843 -5.986 1.590 1.00 2.59 H new ATOM 0 HG21 VAL A 9 48.466 -3.556 -0.163 1.00 2.47 H new ATOM 0 HG22 VAL A 9 49.629 -4.841 0.242 1.00 2.47 H new ATOM 0 HG23 VAL A 9 49.321 -4.424 -1.460 1.00 2.47 H new ATOM 24 N PHE A 10 50.531 -7.480 -0.127 1.00 0.63 N ATOM 25 CA PHE A 10 51.500 -8.036 0.863 1.00 0.42 C ATOM 26 C PHE A 10 52.639 -7.036 1.106 1.00 0.35 C ATOM 27 O PHE A 10 53.059 -6.329 0.211 1.00 0.50 O ATOM 28 CB PHE A 10 52.008 -9.337 0.210 1.00 0.35 C ATOM 29 CG PHE A 10 53.519 -9.454 0.310 1.00 0.32 C ATOM 30 CD1 PHE A 10 54.110 -10.076 1.419 1.00 1.21 C ATOM 31 CD2 PHE A 10 54.326 -8.945 -0.716 1.00 1.08 C ATOM 32 CE1 PHE A 10 55.504 -10.187 1.500 1.00 1.21 C ATOM 33 CE2 PHE A 10 55.719 -9.054 -0.634 1.00 1.10 C ATOM 34 CZ PHE A 10 56.309 -9.677 0.474 1.00 0.37 C ATOM 0 H PHE A 10 50.952 -7.101 -0.975 1.00 0.63 H new ATOM 0 HA PHE A 10 51.056 -8.226 1.840 1.00 0.42 H new ATOM 0 HB2 PHE A 10 51.542 -10.195 0.695 1.00 0.35 H new ATOM 0 HB3 PHE A 10 51.708 -9.361 -0.838 1.00 0.35 H new ATOM 0 HD1 PHE A 10 53.490 -10.470 2.211 1.00 1.21 H new ATOM 0 HD2 PHE A 10 53.872 -8.468 -1.572 1.00 1.08 H new ATOM 0 HE1 PHE A 10 55.958 -10.666 2.355 1.00 1.21 H new ATOM 0 HE2 PHE A 10 56.339 -8.658 -1.425 1.00 1.10 H new ATOM 0 HZ PHE A 10 57.384 -9.764 0.537 1.00 0.37 H new ATOM 44 N VAL A 11 53.156 -6.996 2.305 1.00 0.27 N ATOM 45 CA VAL A 11 54.287 -6.072 2.605 1.00 0.22 C ATOM 46 C VAL A 11 55.557 -6.902 2.786 1.00 0.23 C ATOM 47 O VAL A 11 55.612 -7.787 3.620 1.00 0.27 O ATOM 48 CB VAL A 11 53.904 -5.329 3.898 1.00 0.25 C ATOM 49 CG1 VAL A 11 53.833 -6.302 5.083 1.00 1.06 C ATOM 50 CG2 VAL A 11 54.952 -4.250 4.192 1.00 1.11 C ATOM 0 H VAL A 11 52.843 -7.565 3.091 1.00 0.27 H new ATOM 0 HA VAL A 11 54.473 -5.354 1.806 1.00 0.22 H new ATOM 0 HB VAL A 11 52.924 -4.873 3.761 1.00 0.25 H new ATOM 0 HG11 VAL A 11 53.561 -5.756 5.986 1.00 1.06 H new ATOM 0 HG12 VAL A 11 53.083 -7.067 4.881 1.00 1.06 H new ATOM 0 HG13 VAL A 11 54.805 -6.775 5.224 1.00 1.06 H new ATOM 0 HG21 VAL A 11 54.684 -3.722 5.107 1.00 1.11 H new ATOM 0 HG22 VAL A 11 55.930 -4.716 4.315 1.00 1.11 H new ATOM 0 HG23 VAL A 11 54.989 -3.543 3.363 1.00 1.11 H new ATOM 60 N ASP A 12 56.565 -6.649 1.989 1.00 0.27 N ATOM 61 CA ASP A 12 57.820 -7.447 2.097 1.00 0.35 C ATOM 62 C ASP A 12 58.324 -7.484 3.540 1.00 0.26 C ATOM 63 O ASP A 12 58.884 -6.526 4.039 1.00 0.24 O ATOM 64 CB ASP A 12 58.835 -6.753 1.185 1.00 0.50 C ATOM 65 CG ASP A 12 60.085 -7.632 1.047 1.00 1.22 C ATOM 66 OD1 ASP A 12 59.946 -8.771 0.634 1.00 1.76 O ATOM 67 OD2 ASP A 12 61.162 -7.149 1.354 1.00 1.96 O ATOM 0 H ASP A 12 56.571 -5.925 1.270 1.00 0.27 H new ATOM 0 HA ASP A 12 57.658 -8.483 1.801 1.00 0.35 H new ATOM 0 HB2 ASP A 12 58.395 -6.572 0.204 1.00 0.50 H new ATOM 0 HB3 ASP A 12 59.105 -5.781 1.597 1.00 0.50 H new ATOM 72 N ASP A 13 58.147 -8.603 4.202 1.00 0.30 N ATOM 73 CA ASP A 13 58.627 -8.741 5.599 1.00 0.31 C ATOM 74 C ASP A 13 60.153 -8.684 5.601 1.00 0.31 C ATOM 75 O ASP A 13 60.773 -8.314 6.580 1.00 0.31 O ATOM 76 CB ASP A 13 58.132 -10.114 6.059 1.00 0.45 C ATOM 77 CG ASP A 13 58.152 -10.181 7.588 1.00 0.77 C ATOM 78 OD1 ASP A 13 57.160 -9.808 8.192 1.00 1.47 O ATOM 79 OD2 ASP A 13 59.161 -10.604 8.130 1.00 1.37 O ATOM 0 H ASP A 13 57.685 -9.430 3.824 1.00 0.30 H new ATOM 0 HA ASP A 13 58.264 -7.952 6.257 1.00 0.31 H new ATOM 0 HB2 ASP A 13 57.121 -10.290 5.690 1.00 0.45 H new ATOM 0 HB3 ASP A 13 58.764 -10.898 5.642 1.00 0.45 H new ATOM 84 N HIS A 14 60.754 -9.036 4.490 1.00 0.35 N ATOM 85 CA HIS A 14 62.234 -8.996 4.380 1.00 0.40 C ATOM 86 C HIS A 14 62.727 -7.545 4.463 1.00 0.36 C ATOM 87 O HIS A 14 63.832 -7.280 4.897 1.00 0.42 O ATOM 88 CB HIS A 14 62.538 -9.605 3.007 1.00 0.49 C ATOM 89 CG HIS A 14 63.648 -10.612 3.134 1.00 0.62 C ATOM 90 ND1 HIS A 14 64.958 -10.313 2.797 1.00 1.41 N ATOM 91 CD2 HIS A 14 63.660 -11.916 3.563 1.00 1.19 C ATOM 92 CE1 HIS A 14 65.697 -11.413 3.026 1.00 1.35 C ATOM 93 NE2 HIS A 14 64.955 -12.420 3.494 1.00 1.06 N ATOM 0 H HIS A 14 60.271 -9.352 3.649 1.00 0.35 H new ATOM 0 HA HIS A 14 62.733 -9.540 5.182 1.00 0.40 H new ATOM 0 HB2 HIS A 14 61.645 -10.083 2.604 1.00 0.49 H new ATOM 0 HB3 HIS A 14 62.824 -8.821 2.306 1.00 0.49 H new ATOM 0 HD2 HIS A 14 62.795 -12.467 3.903 1.00 1.19 H new ATOM 0 HE1 HIS A 14 66.761 -11.475 2.853 1.00 1.35 H new ATOM 0 HE2 HIS A 14 65.270 -13.357 3.746 1.00 1.06 H new ATOM 101 N LEU A 15 61.898 -6.604 4.074 1.00 0.31 N ATOM 102 CA LEU A 15 62.288 -5.169 4.154 1.00 0.34 C ATOM 103 C LEU A 15 62.085 -4.698 5.598 1.00 0.26 C ATOM 104 O LEU A 15 62.869 -3.935 6.129 1.00 0.27 O ATOM 105 CB LEU A 15 61.364 -4.453 3.143 1.00 0.43 C ATOM 106 CG LEU A 15 60.333 -3.553 3.838 1.00 0.48 C ATOM 107 CD1 LEU A 15 60.998 -2.242 4.262 1.00 0.60 C ATOM 108 CD2 LEU A 15 59.194 -3.247 2.860 1.00 0.61 C ATOM 0 H LEU A 15 60.963 -6.775 3.703 1.00 0.31 H new ATOM 0 HA LEU A 15 63.330 -4.966 3.908 1.00 0.34 H new ATOM 0 HB2 LEU A 15 61.968 -3.853 2.463 1.00 0.43 H new ATOM 0 HB3 LEU A 15 60.846 -5.196 2.537 1.00 0.43 H new ATOM 0 HG LEU A 15 59.940 -4.062 4.718 1.00 0.48 H new ATOM 0 HD11 LEU A 15 60.264 -1.605 4.755 1.00 0.60 H new ATOM 0 HD12 LEU A 15 61.815 -2.455 4.951 1.00 0.60 H new ATOM 0 HD13 LEU A 15 61.389 -1.731 3.382 1.00 0.60 H new ATOM 0 HD21 LEU A 15 58.458 -2.608 3.347 1.00 0.61 H new ATOM 0 HD22 LEU A 15 59.594 -2.737 1.984 1.00 0.61 H new ATOM 0 HD23 LEU A 15 58.719 -4.178 2.552 1.00 0.61 H new ATOM 120 N LEU A 16 61.045 -5.178 6.238 1.00 0.21 N ATOM 121 CA LEU A 16 60.784 -4.802 7.657 1.00 0.23 C ATOM 122 C LEU A 16 61.916 -5.315 8.545 1.00 0.21 C ATOM 123 O LEU A 16 62.372 -4.632 9.441 1.00 0.25 O ATOM 124 CB LEU A 16 59.478 -5.492 8.032 1.00 0.27 C ATOM 125 CG LEU A 16 58.328 -4.549 7.726 1.00 0.31 C ATOM 126 CD1 LEU A 16 57.984 -4.654 6.247 1.00 0.59 C ATOM 127 CD2 LEU A 16 57.113 -4.927 8.574 1.00 0.60 C ATOM 0 H LEU A 16 60.363 -5.819 5.832 1.00 0.21 H new ATOM 0 HA LEU A 16 60.723 -3.721 7.786 1.00 0.23 H new ATOM 0 HB2 LEU A 16 59.366 -6.420 7.472 1.00 0.27 H new ATOM 0 HB3 LEU A 16 59.480 -5.756 9.089 1.00 0.27 H new ATOM 0 HG LEU A 16 58.616 -3.524 7.962 1.00 0.31 H new ATOM 0 HD11 LEU A 16 57.159 -3.980 6.017 1.00 0.59 H new ATOM 0 HD12 LEU A 16 58.854 -4.379 5.651 1.00 0.59 H new ATOM 0 HD13 LEU A 16 57.693 -5.678 6.013 1.00 0.59 H new ATOM 0 HD21 LEU A 16 56.289 -4.248 8.352 1.00 0.60 H new ATOM 0 HD22 LEU A 16 56.813 -5.949 8.344 1.00 0.60 H new ATOM 0 HD23 LEU A 16 57.370 -4.853 9.631 1.00 0.60 H new ATOM 139 N GLU A 17 62.375 -6.520 8.293 1.00 0.20 N ATOM 140 CA GLU A 17 63.490 -7.093 9.112 1.00 0.26 C ATOM 141 C GLU A 17 64.713 -6.158 9.084 1.00 0.25 C ATOM 142 O GLU A 17 65.546 -6.193 9.968 1.00 0.34 O ATOM 143 CB GLU A 17 63.802 -8.460 8.472 1.00 0.32 C ATOM 144 CG GLU A 17 65.113 -8.400 7.679 1.00 0.58 C ATOM 145 CD GLU A 17 65.387 -9.759 7.033 1.00 0.52 C ATOM 146 OE1 GLU A 17 66.002 -10.589 7.683 1.00 1.11 O ATOM 147 OE2 GLU A 17 64.979 -9.947 5.900 1.00 1.32 O ATOM 0 H GLU A 17 62.024 -7.131 7.555 1.00 0.20 H new ATOM 0 HA GLU A 17 63.220 -7.203 10.162 1.00 0.26 H new ATOM 0 HB2 GLU A 17 63.875 -9.222 9.248 1.00 0.32 H new ATOM 0 HB3 GLU A 17 62.985 -8.753 7.813 1.00 0.32 H new ATOM 0 HG2 GLU A 17 65.050 -7.628 6.912 1.00 0.58 H new ATOM 0 HG3 GLU A 17 65.936 -8.128 8.339 1.00 0.58 H new ATOM 154 N LYS A 18 64.816 -5.319 8.080 1.00 0.20 N ATOM 155 CA LYS A 18 65.971 -4.377 7.996 1.00 0.22 C ATOM 156 C LYS A 18 65.546 -2.972 8.442 1.00 0.22 C ATOM 157 O LYS A 18 66.350 -2.204 8.935 1.00 0.26 O ATOM 158 CB LYS A 18 66.368 -4.371 6.519 1.00 0.26 C ATOM 159 CG LYS A 18 67.177 -5.630 6.198 1.00 0.38 C ATOM 160 CD LYS A 18 67.007 -5.981 4.718 1.00 1.33 C ATOM 161 CE LYS A 18 67.205 -7.487 4.521 1.00 1.99 C ATOM 162 NZ LYS A 18 67.140 -7.698 3.047 1.00 2.90 N ATOM 0 H LYS A 18 64.146 -5.248 7.314 1.00 0.20 H new ATOM 0 HA LYS A 18 66.796 -4.678 8.641 1.00 0.22 H new ATOM 0 HB2 LYS A 18 65.477 -4.330 5.893 1.00 0.26 H new ATOM 0 HB3 LYS A 18 66.957 -3.482 6.294 1.00 0.26 H new ATOM 0 HG2 LYS A 18 68.230 -5.466 6.425 1.00 0.38 H new ATOM 0 HG3 LYS A 18 66.842 -6.460 6.821 1.00 0.38 H new ATOM 0 HD2 LYS A 18 66.015 -5.687 4.376 1.00 1.33 H new ATOM 0 HD3 LYS A 18 67.729 -5.427 4.117 1.00 1.33 H new ATOM 0 HE2 LYS A 18 68.163 -7.815 4.924 1.00 1.99 H new ATOM 0 HE3 LYS A 18 66.431 -8.057 5.035 1.00 1.99 H new ATOM 0 HZ1 LYS A 18 66.514 -8.502 2.839 1.00 2.90 H new ATOM 0 HZ2 LYS A 18 66.768 -6.841 2.590 1.00 2.90 H new ATOM 0 HZ3 LYS A 18 68.093 -7.899 2.683 1.00 2.90 H new ATOM 176 N VAL A 19 64.289 -2.630 8.271 1.00 0.22 N ATOM 177 CA VAL A 19 63.813 -1.275 8.682 1.00 0.26 C ATOM 178 C VAL A 19 63.681 -1.177 10.204 1.00 0.26 C ATOM 179 O VAL A 19 63.980 -0.155 10.788 1.00 0.30 O ATOM 180 CB VAL A 19 62.450 -1.105 8.010 1.00 0.29 C ATOM 181 CG1 VAL A 19 61.343 -1.668 8.908 1.00 0.69 C ATOM 182 CG2 VAL A 19 62.209 0.384 7.762 1.00 0.65 C ATOM 0 H VAL A 19 63.574 -3.233 7.864 1.00 0.22 H new ATOM 0 HA VAL A 19 64.515 -0.496 8.384 1.00 0.26 H new ATOM 0 HB VAL A 19 62.438 -1.648 7.065 1.00 0.29 H new ATOM 0 HG11 VAL A 19 60.377 -1.541 8.418 1.00 0.69 H new ATOM 0 HG12 VAL A 19 61.523 -2.728 9.086 1.00 0.69 H new ATOM 0 HG13 VAL A 19 61.340 -1.136 9.859 1.00 0.69 H new ATOM 0 HG21 VAL A 19 61.240 0.521 7.283 1.00 0.65 H new ATOM 0 HG22 VAL A 19 62.223 0.918 8.712 1.00 0.65 H new ATOM 0 HG23 VAL A 19 62.993 0.776 7.114 1.00 0.65 H new ATOM 192 N LEU A 20 63.249 -2.235 10.850 1.00 0.26 N ATOM 193 CA LEU A 20 63.121 -2.196 12.336 1.00 0.30 C ATOM 194 C LEU A 20 64.509 -1.967 12.921 1.00 0.28 C ATOM 195 O LEU A 20 64.665 -1.362 13.964 1.00 0.33 O ATOM 196 CB LEU A 20 62.536 -3.552 12.761 1.00 0.34 C ATOM 197 CG LEU A 20 63.533 -4.684 12.488 1.00 1.21 C ATOM 198 CD1 LEU A 20 64.385 -4.934 13.736 1.00 1.86 C ATOM 199 CD2 LEU A 20 62.760 -5.957 12.140 1.00 1.92 C ATOM 0 H LEU A 20 62.982 -3.117 10.413 1.00 0.26 H new ATOM 0 HA LEU A 20 62.471 -1.396 12.690 1.00 0.30 H new ATOM 0 HB2 LEU A 20 62.286 -3.529 13.822 1.00 0.34 H new ATOM 0 HB3 LEU A 20 61.609 -3.739 12.219 1.00 0.34 H new ATOM 0 HG LEU A 20 64.183 -4.405 11.658 1.00 1.21 H new ATOM 0 HD11 LEU A 20 65.092 -5.739 13.538 1.00 1.86 H new ATOM 0 HD12 LEU A 20 64.931 -4.026 13.992 1.00 1.86 H new ATOM 0 HD13 LEU A 20 63.739 -5.215 14.567 1.00 1.86 H new ATOM 0 HD21 LEU A 20 63.462 -6.767 11.944 1.00 1.92 H new ATOM 0 HD22 LEU A 20 62.114 -6.230 12.975 1.00 1.92 H new ATOM 0 HD23 LEU A 20 62.152 -5.782 11.253 1.00 1.92 H new ATOM 211 N GLU A 21 65.523 -2.413 12.217 1.00 0.27 N ATOM 212 CA GLU A 21 66.910 -2.188 12.684 1.00 0.30 C ATOM 213 C GLU A 21 67.243 -0.701 12.519 1.00 0.30 C ATOM 214 O GLU A 21 67.925 -0.112 13.335 1.00 0.36 O ATOM 215 CB GLU A 21 67.795 -3.043 11.775 1.00 0.34 C ATOM 216 CG GLU A 21 68.360 -4.226 12.566 1.00 0.83 C ATOM 217 CD GLU A 21 67.907 -5.539 11.921 1.00 1.69 C ATOM 218 OE1 GLU A 21 68.456 -5.893 10.889 1.00 2.47 O ATOM 219 OE2 GLU A 21 67.017 -6.169 12.469 1.00 2.19 O ATOM 0 H GLU A 21 65.440 -2.924 11.338 1.00 0.27 H new ATOM 0 HA GLU A 21 67.055 -2.455 13.731 1.00 0.30 H new ATOM 0 HB2 GLU A 21 67.217 -3.405 10.925 1.00 0.34 H new ATOM 0 HB3 GLU A 21 68.609 -2.440 11.373 1.00 0.34 H new ATOM 0 HG2 GLU A 21 69.449 -4.176 12.587 1.00 0.83 H new ATOM 0 HG3 GLU A 21 68.019 -4.181 13.600 1.00 0.83 H new ATOM 226 N LEU A 22 66.739 -0.089 11.468 1.00 0.27 N ATOM 227 CA LEU A 22 66.992 1.364 11.239 1.00 0.31 C ATOM 228 C LEU A 22 66.133 2.199 12.193 1.00 0.32 C ATOM 229 O LEU A 22 66.484 3.310 12.542 1.00 0.39 O ATOM 230 CB LEU A 22 66.586 1.610 9.781 1.00 0.30 C ATOM 231 CG LEU A 22 67.543 0.882 8.822 1.00 0.52 C ATOM 232 CD1 LEU A 22 67.716 1.713 7.550 1.00 1.43 C ATOM 233 CD2 LEU A 22 68.913 0.681 9.483 1.00 1.06 C ATOM 0 H LEU A 22 66.161 -0.541 10.759 1.00 0.27 H new ATOM 0 HA LEU A 22 68.030 1.643 11.421 1.00 0.31 H new ATOM 0 HB2 LEU A 22 65.566 1.262 9.618 1.00 0.30 H new ATOM 0 HB3 LEU A 22 66.596 2.679 9.571 1.00 0.30 H new ATOM 0 HG LEU A 22 67.121 -0.093 8.577 1.00 0.52 H new ATOM 0 HD11 LEU A 22 68.394 1.199 6.869 1.00 1.43 H new ATOM 0 HD12 LEU A 22 66.748 1.845 7.067 1.00 1.43 H new ATOM 0 HD13 LEU A 22 68.130 2.688 7.806 1.00 1.43 H new ATOM 0 HD21 LEU A 22 69.578 0.164 8.791 1.00 1.06 H new ATOM 0 HD22 LEU A 22 69.339 1.651 9.740 1.00 1.06 H new ATOM 0 HD23 LEU A 22 68.796 0.085 10.388 1.00 1.06 H new ATOM 245 N ASN A 23 65.022 1.661 12.634 1.00 0.28 N ATOM 246 CA ASN A 23 64.149 2.405 13.590 1.00 0.32 C ATOM 247 C ASN A 23 64.667 2.205 15.022 1.00 0.36 C ATOM 248 O ASN A 23 64.349 2.964 15.917 1.00 0.42 O ATOM 249 CB ASN A 23 62.755 1.791 13.428 1.00 0.31 C ATOM 250 CG ASN A 23 62.049 2.425 12.225 1.00 0.35 C ATOM 251 OD1 ASN A 23 61.707 3.591 12.251 1.00 0.51 O ATOM 252 ND2 ASN A 23 61.815 1.702 11.164 1.00 0.32 N ATOM 0 H ASN A 23 64.683 0.736 12.371 1.00 0.28 H new ATOM 0 HA ASN A 23 64.137 3.477 13.396 1.00 0.32 H new ATOM 0 HB2 ASN A 23 62.836 0.713 13.288 1.00 0.31 H new ATOM 0 HB3 ASN A 23 62.169 1.952 14.333 1.00 0.31 H new ATOM 0 HD21 ASN A 23 61.346 2.116 10.358 1.00 0.32 H new ATOM 0 HD22 ASN A 23 62.101 0.723 11.140 1.00 0.32 H new ATOM 259 N ALA A 24 65.475 1.189 15.235 1.00 0.36 N ATOM 260 CA ALA A 24 66.033 0.926 16.583 1.00 0.43 C ATOM 261 C ALA A 24 67.310 1.741 16.783 1.00 0.51 C ATOM 262 O ALA A 24 67.556 2.272 17.850 1.00 0.58 O ATOM 263 CB ALA A 24 66.350 -0.568 16.594 1.00 0.46 C ATOM 0 H ALA A 24 65.769 0.528 14.516 1.00 0.36 H new ATOM 0 HA ALA A 24 65.343 1.203 17.381 1.00 0.43 H new ATOM 0 HB1 ALA A 24 66.769 -0.844 17.562 1.00 0.46 H new ATOM 0 HB2 ALA A 24 65.436 -1.135 16.419 1.00 0.46 H new ATOM 0 HB3 ALA A 24 67.072 -0.793 15.809 1.00 0.46 H new ATOM 269 N LYS A 25 68.118 1.856 15.754 1.00 0.52 N ATOM 270 CA LYS A 25 69.373 2.650 15.870 1.00 0.63 C ATOM 271 C LYS A 25 69.082 4.103 15.502 1.00 0.62 C ATOM 272 O LYS A 25 69.762 5.015 15.935 1.00 0.74 O ATOM 273 CB LYS A 25 70.350 2.037 14.858 1.00 0.70 C ATOM 274 CG LYS A 25 70.469 0.529 15.088 1.00 1.33 C ATOM 275 CD LYS A 25 71.024 -0.138 13.827 1.00 2.18 C ATOM 276 CE LYS A 25 70.610 -1.613 13.800 1.00 3.01 C ATOM 277 NZ LYS A 25 71.763 -2.354 14.388 1.00 3.97 N ATOM 0 H LYS A 25 67.958 1.432 14.840 1.00 0.52 H new ATOM 0 HA LYS A 25 69.782 2.630 16.880 1.00 0.63 H new ATOM 0 HB2 LYS A 25 70.004 2.232 13.843 1.00 0.70 H new ATOM 0 HB3 LYS A 25 71.329 2.506 14.956 1.00 0.70 H new ATOM 0 HG2 LYS A 25 71.125 0.330 15.936 1.00 1.33 H new ATOM 0 HG3 LYS A 25 69.493 0.110 15.334 1.00 1.33 H new ATOM 0 HD2 LYS A 25 70.649 0.371 12.939 1.00 2.18 H new ATOM 0 HD3 LYS A 25 72.111 -0.055 13.808 1.00 2.18 H new ATOM 0 HE2 LYS A 25 69.701 -1.777 14.378 1.00 3.01 H new ATOM 0 HE3 LYS A 25 70.406 -1.946 12.782 1.00 3.01 H new ATOM 0 HZ1 LYS A 25 71.551 -3.372 14.402 1.00 3.97 H new ATOM 0 HZ2 LYS A 25 72.613 -2.185 13.813 1.00 3.97 H new ATOM 0 HZ3 LYS A 25 71.930 -2.022 15.359 1.00 3.97 H new ATOM 291 N GLY A 26 68.080 4.315 14.685 1.00 0.57 N ATOM 292 CA GLY A 26 67.733 5.697 14.254 1.00 0.67 C ATOM 293 C GLY A 26 68.401 5.985 12.906 1.00 0.73 C ATOM 294 O GLY A 26 68.481 7.122 12.480 1.00 0.85 O ATOM 0 H GLY A 26 67.486 3.582 14.298 1.00 0.57 H new ATOM 0 HA2 GLY A 26 66.652 5.804 14.168 1.00 0.67 H new ATOM 0 HA3 GLY A 26 68.066 6.418 15.000 1.00 0.67 H new ATOM 298 N GLU A 27 68.885 4.964 12.231 1.00 0.69 N ATOM 299 CA GLU A 27 69.549 5.189 10.911 1.00 0.79 C ATOM 300 C GLU A 27 68.500 5.388 9.813 1.00 0.69 C ATOM 301 O GLU A 27 67.611 4.577 9.638 1.00 0.61 O ATOM 302 CB GLU A 27 70.365 3.922 10.645 1.00 0.87 C ATOM 303 CG GLU A 27 71.748 4.059 11.287 1.00 1.17 C ATOM 304 CD GLU A 27 72.524 2.750 11.117 1.00 1.71 C ATOM 305 OE1 GLU A 27 73.068 2.540 10.045 1.00 2.11 O ATOM 306 OE2 GLU A 27 72.561 1.980 12.063 1.00 2.43 O ATOM 0 H GLU A 27 68.847 3.992 12.538 1.00 0.69 H new ATOM 0 HA GLU A 27 70.175 6.081 10.919 1.00 0.79 H new ATOM 0 HB2 GLU A 27 69.849 3.052 11.051 1.00 0.87 H new ATOM 0 HB3 GLU A 27 70.465 3.760 9.572 1.00 0.87 H new ATOM 0 HG2 GLU A 27 72.295 4.881 10.825 1.00 1.17 H new ATOM 0 HG3 GLU A 27 71.647 4.299 12.345 1.00 1.17 H new ATOM 313 N LYS A 28 68.605 6.460 9.069 1.00 0.80 N ATOM 314 CA LYS A 28 67.623 6.717 7.972 1.00 0.82 C ATOM 315 C LYS A 28 68.248 6.336 6.625 1.00 0.75 C ATOM 316 O LYS A 28 68.638 7.184 5.844 1.00 0.93 O ATOM 317 CB LYS A 28 67.329 8.220 8.039 1.00 1.06 C ATOM 318 CG LYS A 28 66.233 8.481 9.076 1.00 1.13 C ATOM 319 CD LYS A 28 65.871 9.968 9.078 1.00 1.31 C ATOM 320 CE LYS A 28 64.653 10.197 9.977 1.00 2.04 C ATOM 321 NZ LYS A 28 64.479 11.677 10.032 1.00 2.85 N ATOM 0 H LYS A 28 69.330 7.170 9.174 1.00 0.80 H new ATOM 0 HA LYS A 28 66.710 6.131 8.078 1.00 0.82 H new ATOM 0 HB2 LYS A 28 68.234 8.767 8.305 1.00 1.06 H new ATOM 0 HB3 LYS A 28 67.013 8.583 7.061 1.00 1.06 H new ATOM 0 HG2 LYS A 28 65.352 7.882 8.847 1.00 1.13 H new ATOM 0 HG3 LYS A 28 66.575 8.178 10.066 1.00 1.13 H new ATOM 0 HD2 LYS A 28 66.715 10.558 9.435 1.00 1.31 H new ATOM 0 HD3 LYS A 28 65.655 10.302 8.063 1.00 1.31 H new ATOM 0 HE2 LYS A 28 63.766 9.711 9.570 1.00 2.04 H new ATOM 0 HE3 LYS A 28 64.815 9.782 10.972 1.00 2.04 H new ATOM 0 HZ1 LYS A 28 63.661 11.908 10.632 1.00 2.85 H new ATOM 0 HZ2 LYS A 28 65.335 12.113 10.431 1.00 2.85 H new ATOM 0 HZ3 LYS A 28 64.319 12.044 9.072 1.00 2.85 H new ATOM 335 N ARG A 29 68.350 5.058 6.356 1.00 0.59 N ATOM 336 CA ARG A 29 68.955 4.600 5.070 1.00 0.56 C ATOM 337 C ARG A 29 67.874 3.997 4.162 1.00 0.51 C ATOM 338 O ARG A 29 66.713 4.352 4.250 1.00 0.67 O ATOM 339 CB ARG A 29 69.985 3.539 5.476 1.00 0.57 C ATOM 340 CG ARG A 29 71.263 3.718 4.650 1.00 0.63 C ATOM 341 CD ARG A 29 72.474 3.784 5.585 1.00 1.44 C ATOM 342 NE ARG A 29 72.860 2.363 5.820 1.00 2.10 N ATOM 343 CZ ARG A 29 73.882 1.849 5.188 1.00 2.98 C ATOM 344 NH1 ARG A 29 73.703 1.237 4.045 1.00 3.70 N ATOM 345 NH2 ARG A 29 75.082 1.945 5.699 1.00 3.64 N ATOM 0 H ARG A 29 68.038 4.310 6.976 1.00 0.59 H new ATOM 0 HA ARG A 29 69.414 5.415 4.510 1.00 0.56 H new ATOM 0 HB2 ARG A 29 70.212 3.626 6.539 1.00 0.57 H new ATOM 0 HB3 ARG A 29 69.575 2.541 5.318 1.00 0.57 H new ATOM 0 HG2 ARG A 29 71.375 2.889 3.951 1.00 0.63 H new ATOM 0 HG3 ARG A 29 71.199 4.630 4.056 1.00 0.63 H new ATOM 0 HD2 ARG A 29 73.292 4.345 5.132 1.00 1.44 H new ATOM 0 HD3 ARG A 29 72.223 4.284 6.520 1.00 1.44 H new ATOM 0 HE ARG A 29 72.326 1.792 6.475 1.00 2.10 H new ATOM 0 HH11 ARG A 29 72.766 1.162 3.648 1.00 3.70 H new ATOM 0 HH12 ARG A 29 74.500 0.836 3.551 1.00 3.70 H new ATOM 0 HH21 ARG A 29 75.220 2.421 6.591 1.00 3.64 H new ATOM 0 HH22 ARG A 29 75.880 1.544 5.206 1.00 3.64 H new ATOM 359 N LEU A 30 68.249 3.096 3.287 1.00 0.40 N ATOM 360 CA LEU A 30 67.248 2.478 2.371 1.00 0.38 C ATOM 361 C LEU A 30 67.171 0.957 2.587 1.00 0.36 C ATOM 362 O LEU A 30 68.127 0.325 2.999 1.00 0.41 O ATOM 363 CB LEU A 30 67.745 2.828 0.953 1.00 0.41 C ATOM 364 CG LEU A 30 68.770 1.799 0.454 1.00 0.49 C ATOM 365 CD1 LEU A 30 68.479 1.459 -1.010 1.00 0.63 C ATOM 366 CD2 LEU A 30 70.181 2.384 0.569 1.00 0.67 C ATOM 0 H LEU A 30 69.206 2.764 3.170 1.00 0.40 H new ATOM 0 HA LEU A 30 66.239 2.850 2.547 1.00 0.38 H new ATOM 0 HB2 LEU A 30 66.899 2.864 0.267 1.00 0.41 H new ATOM 0 HB3 LEU A 30 68.195 3.821 0.957 1.00 0.41 H new ATOM 0 HG LEU A 30 68.701 0.895 1.060 1.00 0.49 H new ATOM 0 HD11 LEU A 30 69.206 0.729 -1.365 1.00 0.63 H new ATOM 0 HD12 LEU A 30 67.475 1.042 -1.094 1.00 0.63 H new ATOM 0 HD13 LEU A 30 68.548 2.363 -1.614 1.00 0.63 H new ATOM 0 HD21 LEU A 30 70.908 1.653 0.215 1.00 0.67 H new ATOM 0 HD22 LEU A 30 70.251 3.288 -0.036 1.00 0.67 H new ATOM 0 HD23 LEU A 30 70.390 2.628 1.611 1.00 0.67 H new ATOM 378 N ILE A 31 66.034 0.372 2.300 1.00 0.32 N ATOM 379 CA ILE A 31 65.867 -1.106 2.461 1.00 0.31 C ATOM 380 C ILE A 31 65.369 -1.696 1.135 1.00 0.31 C ATOM 381 O ILE A 31 64.297 -1.368 0.666 1.00 0.56 O ATOM 382 CB ILE A 31 64.828 -1.287 3.577 1.00 0.34 C ATOM 383 CG1 ILE A 31 65.386 -0.715 4.886 1.00 0.53 C ATOM 384 CG2 ILE A 31 64.527 -2.779 3.763 1.00 0.31 C ATOM 385 CD1 ILE A 31 64.518 0.457 5.345 1.00 0.65 C ATOM 0 H ILE A 31 65.206 0.860 1.958 1.00 0.32 H new ATOM 0 HA ILE A 31 66.797 -1.614 2.717 1.00 0.31 H new ATOM 0 HB ILE A 31 63.911 -0.763 3.308 1.00 0.34 H new ATOM 0 HG12 ILE A 31 65.405 -1.489 5.654 1.00 0.53 H new ATOM 0 HG13 ILE A 31 66.414 -0.384 4.741 1.00 0.53 H new ATOM 0 HG21 ILE A 31 63.789 -2.905 4.556 1.00 0.31 H new ATOM 0 HG22 ILE A 31 64.134 -3.190 2.833 1.00 0.31 H new ATOM 0 HG23 ILE A 31 65.443 -3.304 4.033 1.00 0.31 H new ATOM 0 HD11 ILE A 31 64.916 0.862 6.275 1.00 0.65 H new ATOM 0 HD12 ILE A 31 64.521 1.234 4.580 1.00 0.65 H new ATOM 0 HD13 ILE A 31 63.497 0.112 5.507 1.00 0.65 H new ATOM 397 N LYS A 32 66.150 -2.545 0.519 1.00 0.37 N ATOM 398 CA LYS A 32 65.736 -3.136 -0.794 1.00 0.37 C ATOM 399 C LYS A 32 64.720 -4.270 -0.602 1.00 0.34 C ATOM 400 O LYS A 32 64.641 -4.880 0.448 1.00 0.51 O ATOM 401 CB LYS A 32 67.027 -3.669 -1.420 1.00 0.60 C ATOM 402 CG LYS A 32 67.859 -2.502 -1.962 1.00 0.90 C ATOM 403 CD LYS A 32 68.950 -2.136 -0.953 1.00 1.11 C ATOM 404 CE LYS A 32 70.156 -1.546 -1.691 1.00 1.82 C ATOM 405 NZ LYS A 32 71.085 -1.091 -0.617 1.00 2.74 N ATOM 0 H LYS A 32 67.057 -2.856 0.866 1.00 0.37 H new ATOM 0 HA LYS A 32 65.247 -2.396 -1.427 1.00 0.37 H new ATOM 0 HB2 LYS A 32 67.601 -4.223 -0.677 1.00 0.60 H new ATOM 0 HB3 LYS A 32 66.792 -4.365 -2.225 1.00 0.60 H new ATOM 0 HG2 LYS A 32 68.309 -2.776 -2.916 1.00 0.90 H new ATOM 0 HG3 LYS A 32 67.218 -1.640 -2.148 1.00 0.90 H new ATOM 0 HD2 LYS A 32 68.565 -1.416 -0.231 1.00 1.11 H new ATOM 0 HD3 LYS A 32 69.252 -3.020 -0.391 1.00 1.11 H new ATOM 0 HE2 LYS A 32 70.629 -2.290 -2.332 1.00 1.82 H new ATOM 0 HE3 LYS A 32 69.858 -0.716 -2.332 1.00 1.82 H new ATOM 0 HZ1 LYS A 32 71.869 -0.555 -1.040 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 70.571 -0.482 0.052 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 71.463 -1.918 -0.112 1.00 2.74 H new ATOM 419 N THR A 33 63.940 -4.545 -1.621 1.00 0.35 N ATOM 420 CA THR A 33 62.913 -5.631 -1.531 1.00 0.50 C ATOM 421 C THR A 33 62.810 -6.370 -2.875 1.00 0.41 C ATOM 422 O THR A 33 63.015 -5.786 -3.924 1.00 0.44 O ATOM 423 CB THR A 33 61.605 -4.900 -1.214 1.00 0.79 C ATOM 424 OG1 THR A 33 61.627 -4.453 0.134 1.00 1.31 O ATOM 425 CG2 THR A 33 60.423 -5.845 -1.419 1.00 0.95 C ATOM 0 H THR A 33 63.972 -4.060 -2.518 1.00 0.35 H new ATOM 0 HA THR A 33 63.157 -6.379 -0.777 1.00 0.50 H new ATOM 0 HB THR A 33 61.500 -4.044 -1.880 1.00 0.79 H new ATOM 0 HG1 THR A 33 60.791 -3.984 0.337 1.00 1.31 H new ATOM 0 HG21 THR A 33 59.495 -5.321 -1.192 1.00 0.95 H new ATOM 0 HG22 THR A 33 60.404 -6.185 -2.454 1.00 0.95 H new ATOM 0 HG23 THR A 33 60.525 -6.705 -0.757 1.00 0.95 H new ATOM 433 N TRP A 34 62.499 -7.651 -2.853 1.00 0.41 N ATOM 434 CA TRP A 34 62.390 -8.425 -4.138 1.00 0.38 C ATOM 435 C TRP A 34 61.325 -9.530 -4.029 1.00 0.38 C ATOM 436 O TRP A 34 61.581 -10.676 -4.354 1.00 0.49 O ATOM 437 CB TRP A 34 63.768 -9.067 -4.377 1.00 0.50 C ATOM 438 CG TRP A 34 64.871 -8.155 -3.943 1.00 0.54 C ATOM 439 CD1 TRP A 34 65.515 -7.279 -4.740 1.00 0.67 C ATOM 440 CD2 TRP A 34 65.461 -8.021 -2.622 1.00 0.59 C ATOM 441 NE1 TRP A 34 66.477 -6.621 -3.994 1.00 0.77 N ATOM 442 CE2 TRP A 34 66.481 -7.046 -2.679 1.00 0.72 C ATOM 443 CE3 TRP A 34 65.209 -8.651 -1.394 1.00 0.63 C ATOM 444 CZ2 TRP A 34 67.231 -6.709 -1.553 1.00 0.85 C ATOM 445 CZ3 TRP A 34 65.959 -8.314 -0.256 1.00 0.79 C ATOM 446 CH2 TRP A 34 66.970 -7.346 -0.336 1.00 0.88 C ATOM 0 H TRP A 34 62.317 -8.190 -2.006 1.00 0.41 H new ATOM 0 HA TRP A 34 62.097 -7.766 -4.955 1.00 0.38 H new ATOM 0 HB2 TRP A 34 63.834 -10.008 -3.830 1.00 0.50 H new ATOM 0 HB3 TRP A 34 63.883 -9.304 -5.435 1.00 0.50 H new ATOM 0 HD1 TRP A 34 65.313 -7.117 -5.789 1.00 0.67 H new ATOM 0 HE1 TRP A 34 67.105 -5.910 -4.368 1.00 0.77 H new ATOM 0 HE3 TRP A 34 64.434 -9.399 -1.324 1.00 0.63 H new ATOM 0 HZ2 TRP A 34 68.008 -5.962 -1.620 1.00 0.85 H new ATOM 0 HZ3 TRP A 34 65.756 -8.803 0.685 1.00 0.79 H new ATOM 0 HH2 TRP A 34 67.547 -7.093 0.541 1.00 0.88 H new ATOM 457 N SER A 35 60.137 -9.206 -3.583 1.00 0.38 N ATOM 458 CA SER A 35 59.077 -10.258 -3.466 1.00 0.43 C ATOM 459 C SER A 35 58.115 -10.195 -4.667 1.00 0.47 C ATOM 460 O SER A 35 58.377 -10.784 -5.700 1.00 0.69 O ATOM 461 CB SER A 35 58.356 -9.961 -2.149 1.00 0.45 C ATOM 462 OG SER A 35 58.939 -10.740 -1.113 1.00 1.15 O ATOM 0 H SER A 35 59.855 -8.268 -3.297 1.00 0.38 H new ATOM 0 HA SER A 35 59.494 -11.265 -3.469 1.00 0.43 H new ATOM 0 HB2 SER A 35 58.432 -8.900 -1.910 1.00 0.45 H new ATOM 0 HB3 SER A 35 57.295 -10.192 -2.241 1.00 0.45 H new ATOM 0 HG SER A 35 59.343 -10.147 -0.446 1.00 1.15 H new ATOM 468 N ARG A 36 57.006 -9.496 -4.548 1.00 0.63 N ATOM 469 CA ARG A 36 56.039 -9.409 -5.689 1.00 0.68 C ATOM 470 C ARG A 36 55.058 -8.251 -5.464 1.00 0.63 C ATOM 471 O ARG A 36 55.060 -7.278 -6.195 1.00 0.67 O ATOM 472 CB ARG A 36 55.300 -10.753 -5.695 1.00 0.77 C ATOM 473 CG ARG A 36 54.666 -10.985 -7.069 1.00 1.27 C ATOM 474 CD ARG A 36 54.516 -12.489 -7.320 1.00 1.97 C ATOM 475 NE ARG A 36 55.869 -12.948 -7.747 1.00 2.75 N ATOM 476 CZ ARG A 36 56.133 -13.117 -9.016 1.00 3.63 C ATOM 477 NH1 ARG A 36 56.665 -12.143 -9.708 1.00 4.24 N ATOM 478 NH2 ARG A 36 55.866 -14.261 -9.591 1.00 4.36 N ATOM 0 H ARG A 36 56.731 -8.984 -3.710 1.00 0.63 H new ATOM 0 HA ARG A 36 56.539 -9.220 -6.639 1.00 0.68 H new ATOM 0 HB2 ARG A 36 55.993 -11.561 -5.462 1.00 0.77 H new ATOM 0 HB3 ARG A 36 54.531 -10.760 -4.923 1.00 0.77 H new ATOM 0 HG2 ARG A 36 53.691 -10.499 -7.117 1.00 1.27 H new ATOM 0 HG3 ARG A 36 55.285 -10.537 -7.846 1.00 1.27 H new ATOM 0 HD2 ARG A 36 54.190 -13.008 -6.419 1.00 1.97 H new ATOM 0 HD3 ARG A 36 53.771 -12.688 -8.090 1.00 1.97 H new ATOM 0 HE ARG A 36 56.589 -13.130 -7.048 1.00 2.75 H new ATOM 0 HH11 ARG A 36 56.874 -11.252 -9.257 1.00 4.24 H new ATOM 0 HH12 ARG A 36 56.871 -12.274 -10.698 1.00 4.24 H new ATOM 0 HH21 ARG A 36 55.452 -15.020 -9.049 1.00 4.36 H new ATOM 0 HH22 ARG A 36 56.071 -14.394 -10.581 1.00 4.36 H new ATOM 492 N ARG A 37 54.230 -8.342 -4.447 1.00 0.59 N ATOM 493 CA ARG A 37 53.258 -7.238 -4.160 1.00 0.57 C ATOM 494 C ARG A 37 53.825 -6.318 -3.069 1.00 0.40 C ATOM 495 O ARG A 37 53.088 -5.720 -2.310 1.00 0.40 O ATOM 496 CB ARG A 37 51.987 -7.936 -3.659 1.00 0.73 C ATOM 497 CG ARG A 37 51.455 -8.893 -4.731 1.00 1.15 C ATOM 498 CD ARG A 37 51.330 -10.302 -4.141 1.00 1.64 C ATOM 499 NE ARG A 37 50.131 -10.246 -3.255 1.00 2.38 N ATOM 500 CZ ARG A 37 49.049 -10.907 -3.574 1.00 3.17 C ATOM 501 NH1 ARG A 37 48.766 -12.029 -2.965 1.00 3.77 N ATOM 502 NH2 ARG A 37 48.249 -10.444 -4.500 1.00 3.85 N ATOM 0 H ARG A 37 54.186 -9.133 -3.805 1.00 0.59 H new ATOM 0 HA ARG A 37 53.061 -6.623 -5.038 1.00 0.57 H new ATOM 0 HB2 ARG A 37 52.202 -8.487 -2.743 1.00 0.73 H new ATOM 0 HB3 ARG A 37 51.228 -7.194 -3.414 1.00 0.73 H new ATOM 0 HG2 ARG A 37 50.485 -8.550 -5.091 1.00 1.15 H new ATOM 0 HG3 ARG A 37 52.127 -8.905 -5.589 1.00 1.15 H new ATOM 0 HD2 ARG A 37 51.206 -11.049 -4.925 1.00 1.64 H new ATOM 0 HD3 ARG A 37 52.223 -10.575 -3.579 1.00 1.64 H new ATOM 0 HE ARG A 37 50.155 -9.691 -2.399 1.00 2.38 H new ATOM 0 HH11 ARG A 37 49.389 -12.388 -2.242 1.00 3.77 H new ATOM 0 HH12 ARG A 37 47.922 -12.545 -3.213 1.00 3.77 H new ATOM 0 HH21 ARG A 37 48.470 -9.568 -4.973 1.00 3.85 H new ATOM 0 HH22 ARG A 37 47.405 -10.960 -4.749 1.00 3.85 H new ATOM 516 N SER A 38 55.135 -6.221 -2.990 1.00 0.34 N ATOM 517 CA SER A 38 55.808 -5.369 -1.959 1.00 0.28 C ATOM 518 C SER A 38 55.055 -4.053 -1.715 1.00 0.28 C ATOM 519 O SER A 38 54.825 -3.273 -2.621 1.00 0.43 O ATOM 520 CB SER A 38 57.194 -5.105 -2.543 1.00 0.40 C ATOM 521 OG SER A 38 57.947 -6.310 -2.505 1.00 0.60 O ATOM 0 H SER A 38 55.778 -6.710 -3.613 1.00 0.34 H new ATOM 0 HA SER A 38 55.842 -5.860 -0.987 1.00 0.28 H new ATOM 0 HB2 SER A 38 57.109 -4.746 -3.569 1.00 0.40 H new ATOM 0 HB3 SER A 38 57.701 -4.326 -1.974 1.00 0.40 H new ATOM 0 HG SER A 38 57.553 -6.922 -1.849 1.00 0.60 H new ATOM 527 N THR A 39 54.677 -3.815 -0.483 1.00 0.21 N ATOM 528 CA THR A 39 53.939 -2.564 -0.129 1.00 0.22 C ATOM 529 C THR A 39 54.651 -1.852 1.030 1.00 0.22 C ATOM 530 O THR A 39 55.442 -2.447 1.738 1.00 0.23 O ATOM 531 CB THR A 39 52.544 -3.040 0.302 1.00 0.23 C ATOM 532 OG1 THR A 39 51.812 -3.451 -0.844 1.00 0.29 O ATOM 533 CG2 THR A 39 51.796 -1.903 1.007 1.00 0.24 C ATOM 0 H THR A 39 54.851 -4.443 0.302 1.00 0.21 H new ATOM 0 HA THR A 39 53.888 -1.856 -0.957 1.00 0.22 H new ATOM 0 HB THR A 39 52.648 -3.878 0.991 1.00 0.23 H new ATOM 0 HG1 THR A 39 51.323 -2.685 -1.212 1.00 0.29 H new ATOM 0 HG21 THR A 39 50.808 -2.250 1.309 1.00 0.24 H new ATOM 0 HG22 THR A 39 52.356 -1.591 1.888 1.00 0.24 H new ATOM 0 HG23 THR A 39 51.692 -1.059 0.326 1.00 0.24 H new ATOM 541 N ILE A 40 54.382 -0.585 1.226 1.00 0.23 N ATOM 542 CA ILE A 40 55.055 0.157 2.343 1.00 0.25 C ATOM 543 C ILE A 40 54.347 -0.095 3.685 1.00 0.22 C ATOM 544 O ILE A 40 53.242 -0.602 3.742 1.00 0.28 O ATOM 545 CB ILE A 40 54.958 1.638 1.963 1.00 0.34 C ATOM 546 CG1 ILE A 40 55.644 1.872 0.615 1.00 0.64 C ATOM 547 CG2 ILE A 40 55.642 2.497 3.024 1.00 0.30 C ATOM 548 CD1 ILE A 40 54.594 1.894 -0.490 1.00 0.95 C ATOM 0 H ILE A 40 53.731 -0.034 0.667 1.00 0.23 H new ATOM 0 HA ILE A 40 56.087 -0.170 2.470 1.00 0.25 H new ATOM 0 HB ILE A 40 53.906 1.914 1.895 1.00 0.34 H new ATOM 0 HG12 ILE A 40 56.191 2.815 0.631 1.00 0.64 H new ATOM 0 HG13 ILE A 40 56.373 1.084 0.424 1.00 0.64 H new ATOM 0 HG21 ILE A 40 55.568 3.548 2.745 1.00 0.30 H new ATOM 0 HG22 ILE A 40 55.155 2.342 3.987 1.00 0.30 H new ATOM 0 HG23 ILE A 40 56.692 2.215 3.099 1.00 0.30 H new ATOM 0 HD11 ILE A 40 55.081 2.061 -1.451 1.00 0.95 H new ATOM 0 HD12 ILE A 40 54.067 0.940 -0.510 1.00 0.95 H new ATOM 0 HD13 ILE A 40 53.882 2.697 -0.300 1.00 0.95 H new ATOM 560 N VAL A 41 54.991 0.283 4.761 1.00 0.23 N ATOM 561 CA VAL A 41 54.405 0.113 6.133 1.00 0.33 C ATOM 562 C VAL A 41 54.726 1.348 6.975 1.00 0.27 C ATOM 563 O VAL A 41 55.406 2.250 6.520 1.00 0.27 O ATOM 564 CB VAL A 41 55.055 -1.141 6.758 1.00 0.47 C ATOM 565 CG1 VAL A 41 53.990 -2.227 6.937 1.00 0.67 C ATOM 566 CG2 VAL A 41 56.174 -1.693 5.866 1.00 0.52 C ATOM 0 H VAL A 41 55.917 0.711 4.749 1.00 0.23 H new ATOM 0 HA VAL A 41 53.322 -0.003 6.089 1.00 0.33 H new ATOM 0 HB VAL A 41 55.483 -0.857 7.719 1.00 0.47 H new ATOM 0 HG11 VAL A 41 54.445 -3.114 7.378 1.00 0.67 H new ATOM 0 HG12 VAL A 41 53.202 -1.859 7.594 1.00 0.67 H new ATOM 0 HG13 VAL A 41 53.564 -2.482 5.967 1.00 0.67 H new ATOM 0 HG21 VAL A 41 56.611 -2.575 6.334 1.00 0.52 H new ATOM 0 HG22 VAL A 41 55.764 -1.964 4.893 1.00 0.52 H new ATOM 0 HG23 VAL A 41 56.944 -0.933 5.736 1.00 0.52 H new ATOM 576 N PRO A 42 54.213 1.356 8.176 1.00 0.39 N ATOM 577 CA PRO A 42 54.434 2.504 9.089 1.00 0.40 C ATOM 578 C PRO A 42 55.909 2.616 9.484 1.00 0.35 C ATOM 579 O PRO A 42 56.423 3.699 9.674 1.00 0.41 O ATOM 580 CB PRO A 42 53.553 2.170 10.283 1.00 0.54 C ATOM 581 CG PRO A 42 53.400 0.689 10.252 1.00 0.61 C ATOM 582 CD PRO A 42 53.391 0.309 8.803 1.00 0.60 C ATOM 0 HA PRO A 42 54.188 3.467 8.642 1.00 0.40 H new ATOM 0 HB2 PRO A 42 54.012 2.499 11.215 1.00 0.54 H new ATOM 0 HB3 PRO A 42 52.586 2.668 10.210 1.00 0.54 H new ATOM 0 HG2 PRO A 42 54.219 0.200 10.779 1.00 0.61 H new ATOM 0 HG3 PRO A 42 52.477 0.381 10.743 1.00 0.61 H new ATOM 0 HD2 PRO A 42 53.813 -0.683 8.644 1.00 0.60 H new ATOM 0 HD3 PRO A 42 52.380 0.294 8.397 1.00 0.60 H new ATOM 590 N GLU A 43 56.591 1.506 9.587 1.00 0.38 N ATOM 591 CA GLU A 43 58.043 1.535 9.943 1.00 0.49 C ATOM 592 C GLU A 43 58.865 2.183 8.814 1.00 0.45 C ATOM 593 O GLU A 43 60.038 2.455 8.978 1.00 0.54 O ATOM 594 CB GLU A 43 58.444 0.065 10.107 1.00 0.63 C ATOM 595 CG GLU A 43 58.276 -0.359 11.568 1.00 1.24 C ATOM 596 CD GLU A 43 59.552 -1.055 12.051 1.00 2.01 C ATOM 597 OE1 GLU A 43 59.758 -2.199 11.679 1.00 2.65 O ATOM 598 OE2 GLU A 43 60.301 -0.431 12.784 1.00 2.63 O ATOM 0 H GLU A 43 56.203 0.574 9.439 1.00 0.38 H new ATOM 0 HA GLU A 43 58.226 2.118 10.846 1.00 0.49 H new ATOM 0 HB2 GLU A 43 57.828 -0.563 9.463 1.00 0.63 H new ATOM 0 HB3 GLU A 43 59.479 -0.076 9.795 1.00 0.63 H new ATOM 0 HG2 GLU A 43 58.068 0.513 12.189 1.00 1.24 H new ATOM 0 HG3 GLU A 43 57.424 -1.031 11.666 1.00 1.24 H new ATOM 605 N MET A 44 58.261 2.423 7.670 1.00 0.36 N ATOM 606 CA MET A 44 59.008 3.043 6.528 1.00 0.38 C ATOM 607 C MET A 44 58.873 4.575 6.530 1.00 0.38 C ATOM 608 O MET A 44 59.398 5.240 5.661 1.00 0.51 O ATOM 609 CB MET A 44 58.357 2.469 5.264 1.00 0.56 C ATOM 610 CG MET A 44 58.239 0.944 5.366 1.00 1.14 C ATOM 611 SD MET A 44 59.794 0.239 5.966 1.00 2.17 S ATOM 612 CE MET A 44 59.134 -1.366 6.473 1.00 2.94 C ATOM 0 H MET A 44 57.281 2.215 7.480 1.00 0.36 H new ATOM 0 HA MET A 44 60.074 2.824 6.592 1.00 0.38 H new ATOM 0 HB2 MET A 44 57.369 2.908 5.126 1.00 0.56 H new ATOM 0 HB3 MET A 44 58.950 2.736 4.389 1.00 0.56 H new ATOM 0 HG2 MET A 44 57.426 0.679 6.042 1.00 1.14 H new ATOM 0 HG3 MET A 44 57.993 0.524 4.391 1.00 1.14 H new ATOM 0 HE1 MET A 44 59.953 -2.015 6.782 1.00 2.94 H new ATOM 0 HE2 MET A 44 58.445 -1.229 7.306 1.00 2.94 H new ATOM 0 HE3 MET A 44 58.605 -1.823 5.636 1.00 2.94 H new ATOM 622 N VAL A 45 58.167 5.134 7.488 1.00 0.35 N ATOM 623 CA VAL A 45 57.971 6.626 7.551 1.00 0.43 C ATOM 624 C VAL A 45 59.299 7.427 7.555 1.00 0.42 C ATOM 625 O VAL A 45 59.279 8.645 7.543 1.00 0.51 O ATOM 626 CB VAL A 45 57.186 6.850 8.856 1.00 0.53 C ATOM 627 CG1 VAL A 45 57.953 6.249 10.042 1.00 1.47 C ATOM 628 CG2 VAL A 45 56.978 8.350 9.094 1.00 1.43 C ATOM 0 H VAL A 45 57.712 4.615 8.239 1.00 0.35 H new ATOM 0 HA VAL A 45 57.449 6.986 6.665 1.00 0.43 H new ATOM 0 HB VAL A 45 56.216 6.360 8.767 1.00 0.53 H new ATOM 0 HG11 VAL A 45 57.389 6.413 10.960 1.00 1.47 H new ATOM 0 HG12 VAL A 45 58.087 5.179 9.884 1.00 1.47 H new ATOM 0 HG13 VAL A 45 58.929 6.728 10.125 1.00 1.47 H new ATOM 0 HG21 VAL A 45 56.422 8.498 10.020 1.00 1.43 H new ATOM 0 HG22 VAL A 45 57.947 8.844 9.170 1.00 1.43 H new ATOM 0 HG23 VAL A 45 56.418 8.776 8.262 1.00 1.43 H new ATOM 638 N GLY A 46 60.440 6.782 7.549 1.00 0.35 N ATOM 639 CA GLY A 46 61.727 7.537 7.531 1.00 0.39 C ATOM 640 C GLY A 46 62.793 6.723 6.788 1.00 0.32 C ATOM 641 O GLY A 46 63.959 6.765 7.135 1.00 0.38 O ATOM 0 H GLY A 46 60.534 5.766 7.556 1.00 0.35 H new ATOM 0 HA2 GLY A 46 61.587 8.502 7.044 1.00 0.39 H new ATOM 0 HA3 GLY A 46 62.055 7.740 8.550 1.00 0.39 H new ATOM 645 N HIS A 47 62.408 5.974 5.775 1.00 0.24 N ATOM 646 CA HIS A 47 63.414 5.151 5.027 1.00 0.22 C ATOM 647 C HIS A 47 63.084 5.101 3.533 1.00 0.22 C ATOM 648 O HIS A 47 61.941 5.207 3.133 1.00 0.24 O ATOM 649 CB HIS A 47 63.328 3.737 5.623 1.00 0.22 C ATOM 650 CG HIS A 47 63.384 3.797 7.126 1.00 0.21 C ATOM 651 ND1 HIS A 47 64.573 3.699 7.832 1.00 0.28 N ATOM 652 CD2 HIS A 47 62.400 3.950 8.068 1.00 0.24 C ATOM 653 CE1 HIS A 47 64.274 3.793 9.141 1.00 0.27 C ATOM 654 NE2 HIS A 47 62.963 3.947 9.340 1.00 0.25 N ATOM 0 H HIS A 47 61.448 5.899 5.438 1.00 0.24 H new ATOM 0 HA HIS A 47 64.412 5.579 5.122 1.00 0.22 H new ATOM 0 HB2 HIS A 47 62.402 3.258 5.306 1.00 0.22 H new ATOM 0 HB3 HIS A 47 64.148 3.126 5.246 1.00 0.22 H new ATOM 0 HD2 HIS A 47 61.347 4.057 7.855 1.00 0.24 H new ATOM 0 HE1 HIS A 47 65.006 3.749 9.934 1.00 0.27 H new ATOM 0 HE2 HIS A 47 62.478 4.042 10.233 1.00 0.25 H new ATOM 662 N THR A 48 64.089 4.906 2.714 1.00 0.23 N ATOM 663 CA THR A 48 63.878 4.809 1.244 1.00 0.26 C ATOM 664 C THR A 48 63.882 3.326 0.881 1.00 0.25 C ATOM 665 O THR A 48 64.893 2.766 0.512 1.00 0.27 O ATOM 666 CB THR A 48 65.071 5.543 0.593 1.00 0.32 C ATOM 667 OG1 THR A 48 65.789 6.288 1.571 1.00 0.38 O ATOM 668 CG2 THR A 48 64.562 6.496 -0.488 1.00 0.36 C ATOM 0 H THR A 48 65.060 4.809 3.011 1.00 0.23 H new ATOM 0 HA THR A 48 62.940 5.250 0.908 1.00 0.26 H new ATOM 0 HB THR A 48 65.735 4.801 0.150 1.00 0.32 H new ATOM 0 HG1 THR A 48 65.215 6.997 1.929 1.00 0.38 H new ATOM 0 HG21 THR A 48 65.406 7.012 -0.945 1.00 0.36 H new ATOM 0 HG22 THR A 48 64.027 5.929 -1.250 1.00 0.36 H new ATOM 0 HG23 THR A 48 63.889 7.227 -0.041 1.00 0.36 H new ATOM 676 N ILE A 49 62.766 2.674 1.027 1.00 0.24 N ATOM 677 CA ILE A 49 62.720 1.210 0.740 1.00 0.25 C ATOM 678 C ILE A 49 62.454 0.948 -0.736 1.00 0.23 C ATOM 679 O ILE A 49 61.462 1.389 -1.285 1.00 0.25 O ATOM 680 CB ILE A 49 61.588 0.674 1.619 1.00 0.32 C ATOM 681 CG1 ILE A 49 61.988 0.842 3.088 1.00 0.42 C ATOM 682 CG2 ILE A 49 61.351 -0.810 1.320 1.00 0.37 C ATOM 683 CD1 ILE A 49 61.087 1.882 3.747 1.00 1.02 C ATOM 0 H ILE A 49 61.884 3.087 1.332 1.00 0.24 H new ATOM 0 HA ILE A 49 63.668 0.718 0.957 1.00 0.25 H new ATOM 0 HB ILE A 49 60.670 1.225 1.414 1.00 0.32 H new ATOM 0 HG12 ILE A 49 61.903 -0.111 3.610 1.00 0.42 H new ATOM 0 HG13 ILE A 49 63.031 1.152 3.159 1.00 0.42 H new ATOM 0 HG21 ILE A 49 60.544 -1.184 1.950 1.00 0.37 H new ATOM 0 HG22 ILE A 49 61.079 -0.931 0.271 1.00 0.37 H new ATOM 0 HG23 ILE A 49 62.262 -1.373 1.526 1.00 0.37 H new ATOM 0 HD11 ILE A 49 61.372 2.001 4.792 1.00 1.02 H new ATOM 0 HD12 ILE A 49 61.195 2.836 3.231 1.00 1.02 H new ATOM 0 HD13 ILE A 49 60.049 1.553 3.689 1.00 1.02 H new ATOM 695 N ALA A 50 63.337 0.222 -1.379 1.00 0.22 N ATOM 696 CA ALA A 50 63.134 -0.081 -2.819 1.00 0.22 C ATOM 697 C ALA A 50 62.109 -1.197 -2.965 1.00 0.22 C ATOM 698 O ALA A 50 62.442 -2.355 -3.139 1.00 0.26 O ATOM 699 CB ALA A 50 64.500 -0.489 -3.368 1.00 0.25 C ATOM 0 H ALA A 50 64.184 -0.169 -0.966 1.00 0.22 H new ATOM 0 HA ALA A 50 62.749 0.776 -3.372 1.00 0.22 H new ATOM 0 HB1 ALA A 50 64.410 -0.724 -4.429 1.00 0.25 H new ATOM 0 HB2 ALA A 50 65.205 0.332 -3.237 1.00 0.25 H new ATOM 0 HB3 ALA A 50 64.861 -1.366 -2.831 1.00 0.25 H new ATOM 705 N VAL A 51 60.856 -0.837 -2.880 1.00 0.20 N ATOM 706 CA VAL A 51 59.763 -1.847 -2.998 1.00 0.22 C ATOM 707 C VAL A 51 59.869 -2.588 -4.332 1.00 0.21 C ATOM 708 O VAL A 51 60.021 -1.985 -5.379 1.00 0.23 O ATOM 709 CB VAL A 51 58.445 -1.057 -2.922 1.00 0.26 C ATOM 710 CG1 VAL A 51 58.363 -0.305 -1.589 1.00 0.62 C ATOM 711 CG2 VAL A 51 58.362 -0.054 -4.081 1.00 0.55 C ATOM 0 H VAL A 51 60.540 0.122 -2.733 1.00 0.20 H new ATOM 0 HA VAL A 51 59.822 -2.596 -2.208 1.00 0.22 H new ATOM 0 HB VAL A 51 57.613 -1.757 -2.994 1.00 0.26 H new ATOM 0 HG11 VAL A 51 57.427 0.252 -1.542 1.00 0.62 H new ATOM 0 HG12 VAL A 51 58.402 -1.018 -0.766 1.00 0.62 H new ATOM 0 HG13 VAL A 51 59.201 0.387 -1.509 1.00 0.62 H new ATOM 0 HG21 VAL A 51 57.425 0.499 -4.017 1.00 0.55 H new ATOM 0 HG22 VAL A 51 59.199 0.642 -4.021 1.00 0.55 H new ATOM 0 HG23 VAL A 51 58.403 -0.590 -5.029 1.00 0.55 H new ATOM 721 N TYR A 52 59.788 -3.891 -4.302 1.00 0.22 N ATOM 722 CA TYR A 52 59.876 -4.669 -5.568 1.00 0.23 C ATOM 723 C TYR A 52 58.555 -4.542 -6.332 1.00 0.25 C ATOM 724 O TYR A 52 57.559 -5.144 -5.973 1.00 0.27 O ATOM 725 CB TYR A 52 60.133 -6.121 -5.141 1.00 0.27 C ATOM 726 CG TYR A 52 60.478 -6.955 -6.352 1.00 0.32 C ATOM 727 CD1 TYR A 52 61.636 -6.674 -7.082 1.00 1.25 C ATOM 728 CD2 TYR A 52 59.648 -8.014 -6.737 1.00 1.26 C ATOM 729 CE1 TYR A 52 61.967 -7.448 -8.199 1.00 1.29 C ATOM 730 CE2 TYR A 52 59.979 -8.792 -7.853 1.00 1.27 C ATOM 731 CZ TYR A 52 61.139 -8.508 -8.584 1.00 0.47 C ATOM 732 OH TYR A 52 61.467 -9.275 -9.684 1.00 0.56 O ATOM 0 H TYR A 52 59.665 -4.448 -3.457 1.00 0.22 H new ATOM 0 HA TYR A 52 60.667 -4.312 -6.228 1.00 0.23 H new ATOM 0 HB2 TYR A 52 60.948 -6.159 -4.418 1.00 0.27 H new ATOM 0 HB3 TYR A 52 59.250 -6.527 -4.648 1.00 0.27 H new ATOM 0 HD1 TYR A 52 62.277 -5.858 -6.783 1.00 1.25 H new ATOM 0 HD2 TYR A 52 58.753 -8.231 -6.174 1.00 1.26 H new ATOM 0 HE1 TYR A 52 62.861 -7.228 -8.764 1.00 1.29 H new ATOM 0 HE2 TYR A 52 59.340 -9.611 -8.150 1.00 1.27 H new ATOM 0 HH TYR A 52 60.769 -9.185 -10.366 1.00 0.56 H new ATOM 742 N ASN A 53 58.542 -3.763 -7.388 1.00 0.28 N ATOM 743 CA ASN A 53 57.288 -3.594 -8.190 1.00 0.34 C ATOM 744 C ASN A 53 56.976 -4.882 -8.977 1.00 0.36 C ATOM 745 O ASN A 53 55.994 -4.962 -9.691 1.00 0.47 O ATOM 746 CB ASN A 53 57.600 -2.431 -9.142 1.00 0.41 C ATOM 747 CG ASN A 53 56.447 -2.230 -10.131 1.00 0.82 C ATOM 748 OD1 ASN A 53 55.446 -1.625 -9.801 1.00 1.80 O ATOM 749 ND2 ASN A 53 56.549 -2.716 -11.340 1.00 0.60 N ATOM 0 H ASN A 53 59.346 -3.237 -7.729 1.00 0.28 H new ATOM 0 HA ASN A 53 56.414 -3.395 -7.569 1.00 0.34 H new ATOM 0 HB2 ASN A 53 57.761 -1.517 -8.570 1.00 0.41 H new ATOM 0 HB3 ASN A 53 58.523 -2.634 -9.685 1.00 0.41 H new ATOM 0 HD21 ASN A 53 55.788 -2.588 -12.007 1.00 0.60 H new ATOM 0 HD22 ASN A 53 57.389 -3.224 -11.616 1.00 0.60 H new ATOM 756 N GLY A 54 57.820 -5.879 -8.865 1.00 0.33 N ATOM 757 CA GLY A 54 57.609 -7.147 -9.617 1.00 0.36 C ATOM 758 C GLY A 54 58.811 -7.346 -10.541 1.00 0.34 C ATOM 759 O GLY A 54 59.119 -8.448 -10.953 1.00 0.38 O ATOM 0 H GLY A 54 58.654 -5.864 -8.277 1.00 0.33 H new ATOM 0 HA2 GLY A 54 57.512 -7.987 -8.930 1.00 0.36 H new ATOM 0 HA3 GLY A 54 56.686 -7.100 -10.195 1.00 0.36 H new ATOM 763 N LYS A 55 59.491 -6.268 -10.860 1.00 0.33 N ATOM 764 CA LYS A 55 60.688 -6.348 -11.748 1.00 0.35 C ATOM 765 C LYS A 55 61.798 -5.399 -11.262 1.00 0.33 C ATOM 766 O LYS A 55 62.969 -5.649 -11.476 1.00 0.35 O ATOM 767 CB LYS A 55 60.203 -5.920 -13.141 1.00 0.41 C ATOM 768 CG LYS A 55 59.202 -4.761 -13.035 1.00 0.44 C ATOM 769 CD LYS A 55 59.003 -4.129 -14.414 1.00 0.96 C ATOM 770 CE LYS A 55 57.966 -3.005 -14.317 1.00 1.44 C ATOM 771 NZ LYS A 55 57.869 -2.444 -15.694 1.00 1.94 N ATOM 0 H LYS A 55 59.262 -5.328 -10.537 1.00 0.33 H new ATOM 0 HA LYS A 55 61.108 -7.354 -11.752 1.00 0.35 H new ATOM 0 HB2 LYS A 55 61.054 -5.617 -13.751 1.00 0.41 H new ATOM 0 HB3 LYS A 55 59.735 -6.766 -13.644 1.00 0.41 H new ATOM 0 HG2 LYS A 55 58.249 -5.124 -12.649 1.00 0.44 H new ATOM 0 HG3 LYS A 55 59.568 -4.014 -12.331 1.00 0.44 H new ATOM 0 HD2 LYS A 55 59.949 -3.734 -14.785 1.00 0.96 H new ATOM 0 HD3 LYS A 55 58.671 -4.884 -15.127 1.00 0.96 H new ATOM 0 HE2 LYS A 55 57.003 -3.386 -13.978 1.00 1.44 H new ATOM 0 HE3 LYS A 55 58.277 -2.243 -13.602 1.00 1.44 H new ATOM 0 HZ1 LYS A 55 57.176 -1.668 -15.705 1.00 1.94 H new ATOM 0 HZ2 LYS A 55 58.799 -2.082 -15.988 1.00 1.94 H new ATOM 0 HZ3 LYS A 55 57.564 -3.190 -16.352 1.00 1.94 H new ATOM 785 N GLN A 56 61.436 -4.296 -10.645 1.00 0.30 N ATOM 786 CA GLN A 56 62.463 -3.311 -10.188 1.00 0.31 C ATOM 787 C GLN A 56 62.299 -2.951 -8.705 1.00 0.28 C ATOM 788 O GLN A 56 61.224 -3.038 -8.140 1.00 0.27 O ATOM 789 CB GLN A 56 62.217 -2.102 -11.105 1.00 0.36 C ATOM 790 CG GLN A 56 61.710 -0.882 -10.324 1.00 1.28 C ATOM 791 CD GLN A 56 62.749 0.241 -10.393 1.00 1.48 C ATOM 792 OE1 GLN A 56 63.877 0.114 -9.746 1.00 2.18 O flip ATOM 793 NE2 GLN A 56 62.533 1.245 -11.042 1.00 0.99 N flip ATOM 0 H GLN A 56 60.471 -4.038 -10.440 1.00 0.30 H new ATOM 0 HA GLN A 56 63.480 -3.697 -10.256 1.00 0.31 H new ATOM 0 HB2 GLN A 56 63.142 -1.844 -11.620 1.00 0.36 H new ATOM 0 HB3 GLN A 56 61.489 -2.370 -11.871 1.00 0.36 H new ATOM 0 HG2 GLN A 56 60.762 -0.540 -10.739 1.00 1.28 H new ATOM 0 HG3 GLN A 56 61.523 -1.155 -9.285 1.00 1.28 H new ATOM 0 HE21 GLN A 56 61.653 1.346 -11.548 1.00 0.99 H new ATOM 0 HE22 GLN A 56 63.232 1.987 -11.081 1.00 0.99 H new ATOM 802 N HIS A 57 63.372 -2.514 -8.092 1.00 0.30 N ATOM 803 CA HIS A 57 63.329 -2.096 -6.664 1.00 0.29 C ATOM 804 C HIS A 57 63.278 -0.564 -6.622 1.00 0.32 C ATOM 805 O HIS A 57 64.262 0.096 -6.897 1.00 0.45 O ATOM 806 CB HIS A 57 64.642 -2.592 -6.022 1.00 0.40 C ATOM 807 CG HIS A 57 65.125 -3.885 -6.642 1.00 0.38 C ATOM 808 ND1 HIS A 57 64.474 -4.898 -7.304 1.00 1.31 N flip ATOM 809 CD2 HIS A 57 66.463 -4.249 -6.626 1.00 1.07 C flip ATOM 810 CE1 HIS A 57 65.388 -5.872 -7.692 1.00 1.19 C flip ATOM 811 NE2 HIS A 57 66.571 -5.431 -7.259 1.00 0.83 N flip ATOM 0 H HIS A 57 64.288 -2.430 -8.532 1.00 0.30 H new ATOM 0 HA HIS A 57 62.465 -2.501 -6.137 1.00 0.29 H new ATOM 0 HB2 HIS A 57 65.411 -1.828 -6.133 1.00 0.40 H new ATOM 0 HB3 HIS A 57 64.490 -2.738 -4.953 1.00 0.40 H new ATOM 0 HD2 HIS A 57 67.272 -3.685 -6.185 1.00 1.07 H new ATOM 0 HE1 HIS A 57 65.184 -6.787 -8.228 1.00 1.19 H new ATOM 0 HE2 HIS A 57 67.451 -5.930 -7.392 1.00 0.83 H new ATOM 819 N VAL A 58 62.146 0.010 -6.306 1.00 0.30 N ATOM 820 CA VAL A 58 62.049 1.508 -6.276 1.00 0.37 C ATOM 821 C VAL A 58 62.248 2.023 -4.843 1.00 0.34 C ATOM 822 O VAL A 58 61.329 1.978 -4.048 1.00 0.32 O ATOM 823 CB VAL A 58 60.633 1.832 -6.776 1.00 0.44 C ATOM 824 CG1 VAL A 58 60.468 3.349 -6.904 1.00 0.73 C ATOM 825 CG2 VAL A 58 60.404 1.185 -8.147 1.00 0.59 C ATOM 0 H VAL A 58 61.287 -0.486 -6.068 1.00 0.30 H new ATOM 0 HA VAL A 58 62.813 1.982 -6.893 1.00 0.37 H new ATOM 0 HB VAL A 58 59.907 1.441 -6.063 1.00 0.44 H new ATOM 0 HG11 VAL A 58 59.463 3.577 -7.259 1.00 0.73 H new ATOM 0 HG12 VAL A 58 60.624 3.815 -5.931 1.00 0.73 H new ATOM 0 HG13 VAL A 58 61.200 3.736 -7.613 1.00 0.73 H new ATOM 0 HG21 VAL A 58 59.398 1.418 -8.496 1.00 0.59 H new ATOM 0 HG22 VAL A 58 61.134 1.572 -8.858 1.00 0.59 H new ATOM 0 HG23 VAL A 58 60.517 0.104 -8.063 1.00 0.59 H new ATOM 835 N PRO A 59 63.451 2.493 -4.553 1.00 0.36 N ATOM 836 CA PRO A 59 63.775 3.013 -3.192 1.00 0.34 C ATOM 837 C PRO A 59 62.962 4.269 -2.923 1.00 0.38 C ATOM 838 O PRO A 59 63.368 5.377 -3.224 1.00 0.45 O ATOM 839 CB PRO A 59 65.274 3.305 -3.262 1.00 0.41 C ATOM 840 CG PRO A 59 65.548 3.509 -4.715 1.00 0.48 C ATOM 841 CD PRO A 59 64.604 2.597 -5.453 1.00 0.43 C ATOM 0 HA PRO A 59 63.538 2.321 -2.384 1.00 0.34 H new ATOM 0 HB2 PRO A 59 65.533 4.190 -2.681 1.00 0.41 H new ATOM 0 HB3 PRO A 59 65.859 2.477 -2.860 1.00 0.41 H new ATOM 0 HG2 PRO A 59 65.386 4.549 -4.999 1.00 0.48 H new ATOM 0 HG3 PRO A 59 66.585 3.271 -4.953 1.00 0.48 H new ATOM 0 HD2 PRO A 59 64.321 3.011 -6.421 1.00 0.43 H new ATOM 0 HD3 PRO A 59 65.054 1.622 -5.642 1.00 0.43 H new ATOM 849 N VAL A 60 61.800 4.082 -2.377 1.00 0.36 N ATOM 850 CA VAL A 60 60.906 5.239 -2.092 1.00 0.43 C ATOM 851 C VAL A 60 61.030 5.682 -0.640 1.00 0.34 C ATOM 852 O VAL A 60 60.721 4.932 0.268 1.00 0.29 O ATOM 853 CB VAL A 60 59.479 4.736 -2.347 1.00 0.50 C ATOM 854 CG1 VAL A 60 58.504 5.892 -2.142 1.00 1.16 C ATOM 855 CG2 VAL A 60 59.357 4.208 -3.780 1.00 1.43 C ATOM 0 H VAL A 60 61.424 3.171 -2.112 1.00 0.36 H new ATOM 0 HA VAL A 60 61.167 6.093 -2.717 1.00 0.43 H new ATOM 0 HB VAL A 60 59.248 3.927 -1.654 1.00 0.50 H new ATOM 0 HG11 VAL A 60 57.486 5.546 -2.321 1.00 1.16 H new ATOM 0 HG12 VAL A 60 58.587 6.261 -1.120 1.00 1.16 H new ATOM 0 HG13 VAL A 60 58.741 6.696 -2.839 1.00 1.16 H new ATOM 0 HG21 VAL A 60 58.341 3.853 -3.952 1.00 1.43 H new ATOM 0 HG22 VAL A 60 59.586 5.009 -4.483 1.00 1.43 H new ATOM 0 HG23 VAL A 60 60.058 3.386 -3.926 1.00 1.43 H new ATOM 865 N TYR A 61 61.437 6.904 -0.407 1.00 0.36 N ATOM 866 CA TYR A 61 61.511 7.380 0.997 1.00 0.32 C ATOM 867 C TYR A 61 60.086 7.616 1.479 1.00 0.32 C ATOM 868 O TYR A 61 59.438 8.574 1.098 1.00 0.42 O ATOM 869 CB TYR A 61 62.301 8.686 1.000 1.00 0.41 C ATOM 870 CG TYR A 61 62.709 8.975 2.424 1.00 0.35 C ATOM 871 CD1 TYR A 61 61.728 9.200 3.402 1.00 1.20 C ATOM 872 CD2 TYR A 61 64.061 8.996 2.774 1.00 1.25 C ATOM 873 CE1 TYR A 61 62.099 9.448 4.721 1.00 1.19 C ATOM 874 CE2 TYR A 61 64.435 9.242 4.097 1.00 1.26 C ATOM 875 CZ TYR A 61 63.455 9.471 5.074 1.00 0.36 C ATOM 876 OH TYR A 61 63.825 9.714 6.381 1.00 0.43 O ATOM 0 H TYR A 61 61.716 7.579 -1.119 1.00 0.36 H new ATOM 0 HA TYR A 61 62.000 6.659 1.652 1.00 0.32 H new ATOM 0 HB2 TYR A 61 63.180 8.602 0.360 1.00 0.41 H new ATOM 0 HB3 TYR A 61 61.694 9.500 0.604 1.00 0.41 H new ATOM 0 HD1 TYR A 61 60.683 9.181 3.131 1.00 1.20 H new ATOM 0 HD2 TYR A 61 64.817 8.822 2.022 1.00 1.25 H new ATOM 0 HE1 TYR A 61 61.342 9.623 5.471 1.00 1.19 H new ATOM 0 HE2 TYR A 61 65.480 9.256 4.368 1.00 1.26 H new ATOM 0 HH TYR A 61 63.062 10.081 6.874 1.00 0.43 H new ATOM 886 N ILE A 62 59.584 6.727 2.279 1.00 0.28 N ATOM 887 CA ILE A 62 58.187 6.862 2.758 1.00 0.38 C ATOM 888 C ILE A 62 58.097 7.780 3.972 1.00 0.51 C ATOM 889 O ILE A 62 58.918 7.741 4.864 1.00 1.58 O ATOM 890 CB ILE A 62 57.764 5.442 3.137 1.00 0.43 C ATOM 891 CG1 ILE A 62 57.896 4.524 1.914 1.00 0.68 C ATOM 892 CG2 ILE A 62 56.312 5.453 3.628 1.00 0.62 C ATOM 893 CD1 ILE A 62 59.035 3.528 2.142 1.00 0.26 C ATOM 0 H ILE A 62 60.083 5.907 2.624 1.00 0.28 H new ATOM 0 HA ILE A 62 57.546 7.304 1.995 1.00 0.38 H new ATOM 0 HB ILE A 62 58.408 5.070 3.934 1.00 0.43 H new ATOM 0 HG12 ILE A 62 56.961 3.990 1.744 1.00 0.68 H new ATOM 0 HG13 ILE A 62 58.091 5.117 1.021 1.00 0.68 H new ATOM 0 HG21 ILE A 62 56.011 4.441 3.898 1.00 0.62 H new ATOM 0 HG22 ILE A 62 56.228 6.101 4.500 1.00 0.62 H new ATOM 0 HG23 ILE A 62 55.663 5.825 2.835 1.00 0.62 H new ATOM 0 HD11 ILE A 62 59.128 2.877 1.273 1.00 0.26 H new ATOM 0 HD12 ILE A 62 59.969 4.071 2.290 1.00 0.26 H new ATOM 0 HD13 ILE A 62 58.821 2.926 3.025 1.00 0.26 H new ATOM 905 N THR A 63 57.068 8.576 4.010 1.00 0.64 N ATOM 906 CA THR A 63 56.842 9.482 5.166 1.00 0.45 C ATOM 907 C THR A 63 55.687 8.897 5.987 1.00 0.35 C ATOM 908 O THR A 63 55.377 7.725 5.872 1.00 0.45 O ATOM 909 CB THR A 63 56.457 10.840 4.557 1.00 0.62 C ATOM 910 OG1 THR A 63 55.208 10.726 3.886 1.00 1.63 O ATOM 911 CG2 THR A 63 57.530 11.286 3.562 1.00 1.07 C ATOM 0 H THR A 63 56.362 8.638 3.276 1.00 0.64 H new ATOM 0 HA THR A 63 57.710 9.592 5.816 1.00 0.45 H new ATOM 0 HB THR A 63 56.376 11.578 5.355 1.00 0.62 H new ATOM 0 HG1 THR A 63 55.361 10.636 2.922 1.00 1.63 H new ATOM 0 HG21 THR A 63 57.251 12.249 3.134 1.00 1.07 H new ATOM 0 HG22 THR A 63 58.486 11.381 4.076 1.00 1.07 H new ATOM 0 HG23 THR A 63 57.618 10.547 2.766 1.00 1.07 H new ATOM 919 N GLU A 64 55.035 9.682 6.798 1.00 0.39 N ATOM 920 CA GLU A 64 53.897 9.129 7.589 1.00 0.42 C ATOM 921 C GLU A 64 52.568 9.283 6.817 1.00 0.58 C ATOM 922 O GLU A 64 51.502 9.245 7.403 1.00 1.04 O ATOM 923 CB GLU A 64 53.871 9.953 8.880 1.00 0.45 C ATOM 924 CG GLU A 64 53.141 9.167 9.972 1.00 1.46 C ATOM 925 CD GLU A 64 52.196 10.100 10.732 1.00 2.23 C ATOM 926 OE1 GLU A 64 51.065 10.249 10.299 1.00 2.89 O ATOM 927 OE2 GLU A 64 52.619 10.651 11.736 1.00 2.83 O ATOM 0 H GLU A 64 55.236 10.671 6.948 1.00 0.39 H new ATOM 0 HA GLU A 64 54.018 8.064 7.787 1.00 0.42 H new ATOM 0 HB2 GLU A 64 54.888 10.181 9.199 1.00 0.45 H new ATOM 0 HB3 GLU A 64 53.370 10.906 8.706 1.00 0.45 H new ATOM 0 HG2 GLU A 64 52.578 8.346 9.528 1.00 1.46 H new ATOM 0 HG3 GLU A 64 53.862 8.725 10.659 1.00 1.46 H new ATOM 934 N ASN A 65 52.619 9.473 5.512 1.00 0.52 N ATOM 935 CA ASN A 65 51.347 9.645 4.730 1.00 0.64 C ATOM 936 C ASN A 65 51.378 8.916 3.368 1.00 0.56 C ATOM 937 O ASN A 65 50.340 8.672 2.780 1.00 0.66 O ATOM 938 CB ASN A 65 51.228 11.157 4.516 1.00 1.00 C ATOM 939 CG ASN A 65 49.750 11.552 4.461 1.00 1.53 C ATOM 940 OD1 ASN A 65 49.161 11.888 5.470 1.00 2.02 O ATOM 941 ND2 ASN A 65 49.120 11.527 3.317 1.00 2.18 N ATOM 0 H ASN A 65 53.477 9.516 4.962 1.00 0.52 H new ATOM 0 HA ASN A 65 50.501 9.215 5.267 1.00 0.64 H new ATOM 0 HB2 ASN A 65 51.728 11.690 5.325 1.00 1.00 H new ATOM 0 HB3 ASN A 65 51.726 11.444 3.590 1.00 1.00 H new ATOM 0 HD21 ASN A 65 48.135 11.789 3.271 1.00 2.18 H new ATOM 0 HD22 ASN A 65 49.613 11.245 2.469 1.00 2.18 H new ATOM 948 N MET A 66 52.537 8.570 2.855 1.00 0.55 N ATOM 949 CA MET A 66 52.597 7.867 1.533 1.00 0.51 C ATOM 950 C MET A 66 52.416 6.354 1.719 1.00 0.38 C ATOM 951 O MET A 66 52.018 5.654 0.810 1.00 0.47 O ATOM 952 CB MET A 66 53.986 8.185 0.983 1.00 0.63 C ATOM 953 CG MET A 66 54.117 9.693 0.742 1.00 0.77 C ATOM 954 SD MET A 66 55.857 10.110 0.467 1.00 1.29 S ATOM 955 CE MET A 66 55.606 11.223 -0.938 1.00 2.01 C ATOM 0 H MET A 66 53.441 8.744 3.294 1.00 0.55 H new ATOM 0 HA MET A 66 51.806 8.191 0.856 1.00 0.51 H new ATOM 0 HB2 MET A 66 54.750 7.852 1.685 1.00 0.63 H new ATOM 0 HB3 MET A 66 54.151 7.643 0.052 1.00 0.63 H new ATOM 0 HG2 MET A 66 53.520 9.987 -0.121 1.00 0.77 H new ATOM 0 HG3 MET A 66 53.731 10.244 1.599 1.00 0.77 H new ATOM 0 HE1 MET A 66 55.936 10.733 -1.854 1.00 2.01 H new ATOM 0 HE2 MET A 66 54.548 11.472 -1.021 1.00 2.01 H new ATOM 0 HE3 MET A 66 56.182 12.136 -0.787 1.00 2.01 H new ATOM 965 N VAL A 67 52.704 5.846 2.891 1.00 0.34 N ATOM 966 CA VAL A 67 52.551 4.376 3.141 1.00 0.27 C ATOM 967 C VAL A 67 51.077 3.945 3.080 1.00 0.27 C ATOM 968 O VAL A 67 50.175 4.754 3.200 1.00 0.29 O ATOM 969 CB VAL A 67 53.091 4.143 4.558 1.00 0.30 C ATOM 970 CG1 VAL A 67 52.399 5.090 5.546 1.00 0.37 C ATOM 971 CG2 VAL A 67 52.803 2.699 4.971 1.00 0.32 C ATOM 0 H VAL A 67 53.040 6.386 3.689 1.00 0.34 H new ATOM 0 HA VAL A 67 53.083 3.798 2.385 1.00 0.27 H new ATOM 0 HB VAL A 67 54.164 4.332 4.568 1.00 0.30 H new ATOM 0 HG11 VAL A 67 52.789 4.917 6.549 1.00 0.37 H new ATOM 0 HG12 VAL A 67 52.591 6.123 5.255 1.00 0.37 H new ATOM 0 HG13 VAL A 67 51.325 4.904 5.537 1.00 0.37 H new ATOM 0 HG21 VAL A 67 53.184 2.526 5.977 1.00 0.32 H new ATOM 0 HG22 VAL A 67 51.727 2.524 4.955 1.00 0.32 H new ATOM 0 HG23 VAL A 67 53.292 2.017 4.275 1.00 0.32 H new ATOM 981 N GLY A 68 50.838 2.663 2.927 1.00 0.31 N ATOM 982 CA GLY A 68 49.438 2.153 2.895 1.00 0.36 C ATOM 983 C GLY A 68 49.108 1.540 1.534 1.00 0.36 C ATOM 984 O GLY A 68 48.115 0.849 1.397 1.00 0.42 O ATOM 0 H GLY A 68 51.559 1.949 2.823 1.00 0.31 H new ATOM 0 HA2 GLY A 68 49.302 1.406 3.677 1.00 0.36 H new ATOM 0 HA3 GLY A 68 48.746 2.967 3.108 1.00 0.36 H new ATOM 988 N HIS A 69 49.901 1.792 0.518 1.00 0.34 N ATOM 989 CA HIS A 69 49.577 1.224 -0.818 1.00 0.38 C ATOM 990 C HIS A 69 50.745 0.399 -1.371 1.00 0.35 C ATOM 991 O HIS A 69 50.753 -0.811 -1.273 1.00 0.36 O ATOM 992 CB HIS A 69 49.298 2.445 -1.700 1.00 0.43 C ATOM 993 CG HIS A 69 48.057 3.151 -1.214 1.00 0.48 C ATOM 994 ND1 HIS A 69 47.744 3.736 -0.008 1.00 0.56 N flip ATOM 995 CD2 HIS A 69 46.942 3.323 -2.017 1.00 0.48 C flip ATOM 996 CE1 HIS A 69 46.457 4.261 -0.064 1.00 0.60 C flip ATOM 997 NE2 HIS A 69 46.019 3.985 -1.295 1.00 0.56 N flip ATOM 0 H HIS A 69 50.747 2.360 0.560 1.00 0.34 H new ATOM 0 HA HIS A 69 48.728 0.542 -0.777 1.00 0.38 H new ATOM 0 HB2 HIS A 69 50.149 3.126 -1.675 1.00 0.43 H new ATOM 0 HB3 HIS A 69 49.169 2.135 -2.737 1.00 0.43 H new ATOM 0 HD2 HIS A 69 46.833 2.987 -3.038 1.00 0.48 H new ATOM 0 HE1 HIS A 69 45.926 4.780 0.720 1.00 0.60 H new ATOM 0 HE2 HIS A 69 45.097 4.244 -1.646 1.00 0.56 H new ATOM 1005 N LYS A 70 51.716 1.047 -1.967 1.00 0.35 N ATOM 1006 CA LYS A 70 52.894 0.317 -2.551 1.00 0.38 C ATOM 1007 C LYS A 70 53.848 1.304 -3.235 1.00 0.44 C ATOM 1008 O LYS A 70 55.048 1.110 -3.274 1.00 0.48 O ATOM 1009 CB LYS A 70 52.335 -0.681 -3.581 1.00 0.43 C ATOM 1010 CG LYS A 70 51.199 -0.038 -4.379 1.00 0.55 C ATOM 1011 CD LYS A 70 51.746 0.547 -5.684 1.00 0.73 C ATOM 1012 CE LYS A 70 50.685 0.435 -6.784 1.00 0.95 C ATOM 1013 NZ LYS A 70 50.150 1.816 -6.955 1.00 1.75 N ATOM 0 H LYS A 70 51.746 2.061 -2.077 1.00 0.35 H new ATOM 0 HA LYS A 70 53.456 -0.198 -1.772 1.00 0.38 H new ATOM 0 HB2 LYS A 70 53.129 -1.000 -4.257 1.00 0.43 H new ATOM 0 HB3 LYS A 70 51.972 -1.574 -3.073 1.00 0.43 H new ATOM 0 HG2 LYS A 70 50.430 -0.780 -4.597 1.00 0.55 H new ATOM 0 HG3 LYS A 70 50.727 0.747 -3.788 1.00 0.55 H new ATOM 0 HD2 LYS A 70 52.024 1.591 -5.538 1.00 0.73 H new ATOM 0 HD3 LYS A 70 52.650 0.015 -5.982 1.00 0.73 H new ATOM 0 HE2 LYS A 70 51.118 0.063 -7.712 1.00 0.95 H new ATOM 0 HE3 LYS A 70 49.895 -0.261 -6.500 1.00 0.95 H new ATOM 0 HZ1 LYS A 70 49.418 1.816 -7.694 1.00 1.75 H new ATOM 0 HZ2 LYS A 70 49.737 2.142 -6.058 1.00 1.75 H new ATOM 0 HZ3 LYS A 70 50.922 2.455 -7.233 1.00 1.75 H new ATOM 1027 N LEU A 71 53.284 2.354 -3.765 1.00 0.47 N ATOM 1028 CA LEU A 71 54.063 3.423 -4.482 1.00 0.56 C ATOM 1029 C LEU A 71 53.109 4.454 -5.138 1.00 0.62 C ATOM 1030 O LEU A 71 53.532 5.529 -5.519 1.00 0.69 O ATOM 1031 CB LEU A 71 54.902 2.703 -5.561 1.00 0.64 C ATOM 1032 CG LEU A 71 54.082 2.491 -6.842 1.00 0.72 C ATOM 1033 CD1 LEU A 71 54.436 3.574 -7.867 1.00 0.85 C ATOM 1034 CD2 LEU A 71 54.407 1.115 -7.431 1.00 0.76 C ATOM 0 H LEU A 71 52.279 2.527 -3.733 1.00 0.47 H new ATOM 0 HA LEU A 71 54.698 3.973 -3.788 1.00 0.56 H new ATOM 0 HB2 LEU A 71 55.792 3.290 -5.787 1.00 0.64 H new ATOM 0 HB3 LEU A 71 55.244 1.741 -5.180 1.00 0.64 H new ATOM 0 HG LEU A 71 53.020 2.549 -6.604 1.00 0.72 H new ATOM 0 HD11 LEU A 71 53.852 3.421 -8.775 1.00 0.85 H new ATOM 0 HD12 LEU A 71 54.210 4.556 -7.452 1.00 0.85 H new ATOM 0 HD13 LEU A 71 55.498 3.517 -8.105 1.00 0.85 H new ATOM 0 HD21 LEU A 71 53.826 0.962 -8.341 1.00 0.76 H new ATOM 0 HD22 LEU A 71 55.470 1.062 -7.666 1.00 0.76 H new ATOM 0 HD23 LEU A 71 54.157 0.341 -6.706 1.00 0.76 H new ATOM 1046 N GLY A 72 51.831 4.136 -5.275 1.00 0.61 N ATOM 1047 CA GLY A 72 50.868 5.092 -5.906 1.00 0.68 C ATOM 1048 C GLY A 72 50.632 6.298 -4.989 1.00 0.67 C ATOM 1049 O GLY A 72 50.172 7.334 -5.429 1.00 0.75 O ATOM 0 H GLY A 72 51.421 3.252 -4.974 1.00 0.61 H new ATOM 0 HA2 GLY A 72 51.257 5.429 -6.867 1.00 0.68 H new ATOM 0 HA3 GLY A 72 49.922 4.587 -6.104 1.00 0.68 H new ATOM 1053 N GLU A 73 50.965 6.181 -3.727 1.00 0.57 N ATOM 1054 CA GLU A 73 50.783 7.334 -2.790 1.00 0.57 C ATOM 1055 C GLU A 73 52.014 8.236 -2.857 1.00 0.61 C ATOM 1056 O GLU A 73 51.987 9.380 -2.444 1.00 0.66 O ATOM 1057 CB GLU A 73 50.655 6.714 -1.403 1.00 0.45 C ATOM 1058 CG GLU A 73 49.223 6.232 -1.190 1.00 0.52 C ATOM 1059 CD GLU A 73 48.648 6.873 0.076 1.00 0.86 C ATOM 1060 OE1 GLU A 73 49.016 6.441 1.156 1.00 1.53 O ATOM 1061 OE2 GLU A 73 47.850 7.786 -0.057 1.00 1.37 O ATOM 0 H GLU A 73 51.355 5.338 -3.305 1.00 0.57 H new ATOM 0 HA GLU A 73 49.911 7.940 -3.038 1.00 0.57 H new ATOM 0 HB2 GLU A 73 51.349 5.880 -1.300 1.00 0.45 H new ATOM 0 HB3 GLU A 73 50.921 7.446 -0.640 1.00 0.45 H new ATOM 0 HG2 GLU A 73 48.609 6.492 -2.052 1.00 0.52 H new ATOM 0 HG3 GLU A 73 49.204 5.146 -1.101 1.00 0.52 H new ATOM 1068 N PHE A 74 53.085 7.722 -3.401 1.00 0.65 N ATOM 1069 CA PHE A 74 54.331 8.518 -3.542 1.00 0.77 C ATOM 1070 C PHE A 74 54.380 9.096 -4.958 1.00 0.99 C ATOM 1071 O PHE A 74 55.080 10.055 -5.224 1.00 1.13 O ATOM 1072 CB PHE A 74 55.489 7.531 -3.342 1.00 0.80 C ATOM 1073 CG PHE A 74 55.295 6.695 -2.091 1.00 0.60 C ATOM 1074 CD1 PHE A 74 54.384 5.630 -2.084 1.00 1.30 C ATOM 1075 CD2 PHE A 74 56.058 6.961 -0.950 1.00 1.32 C ATOM 1076 CE1 PHE A 74 54.234 4.844 -0.944 1.00 1.25 C ATOM 1077 CE2 PHE A 74 55.912 6.163 0.188 1.00 1.31 C ATOM 1078 CZ PHE A 74 55.000 5.107 0.190 1.00 0.47 C ATOM 0 H PHE A 74 53.146 6.769 -3.758 1.00 0.65 H new ATOM 0 HA PHE A 74 54.385 9.338 -2.826 1.00 0.77 H new ATOM 0 HB2 PHE A 74 55.565 6.877 -4.210 1.00 0.80 H new ATOM 0 HB3 PHE A 74 56.428 8.079 -3.273 1.00 0.80 H new ATOM 0 HD1 PHE A 74 53.797 5.418 -2.965 1.00 1.30 H new ATOM 0 HD2 PHE A 74 56.759 7.782 -0.948 1.00 1.32 H new ATOM 0 HE1 PHE A 74 53.524 4.030 -0.939 1.00 1.25 H new ATOM 0 HE2 PHE A 74 56.506 6.364 1.067 1.00 1.31 H new ATOM 0 HZ PHE A 74 54.888 4.493 1.071 1.00 0.47 H new ATOM 1088 N ALA A 75 53.629 8.512 -5.871 1.00 1.03 N ATOM 1089 CA ALA A 75 53.615 9.015 -7.272 1.00 1.26 C ATOM 1090 C ALA A 75 52.169 9.137 -7.783 1.00 1.32 C ATOM 1091 O ALA A 75 51.846 8.623 -8.839 1.00 1.44 O ATOM 1092 CB ALA A 75 54.385 7.955 -8.064 1.00 1.36 C ATOM 0 H ALA A 75 53.027 7.707 -5.696 1.00 1.03 H new ATOM 0 HA ALA A 75 54.060 10.005 -7.367 1.00 1.26 H new ATOM 0 HB1 ALA A 75 54.426 8.244 -9.114 1.00 1.36 H new ATOM 0 HB2 ALA A 75 55.398 7.872 -7.671 1.00 1.36 H new ATOM 0 HB3 ALA A 75 53.880 6.993 -7.971 1.00 1.36 H new ATOM 1098 N PRO A 76 51.337 9.824 -7.024 1.00 1.28 N ATOM 1099 CA PRO A 76 49.925 10.014 -7.426 1.00 1.40 C ATOM 1100 C PRO A 76 49.808 11.217 -8.371 1.00 1.64 C ATOM 1101 O PRO A 76 48.996 12.104 -8.175 1.00 1.75 O ATOM 1102 CB PRO A 76 49.214 10.276 -6.102 1.00 1.31 C ATOM 1103 CG PRO A 76 50.262 10.826 -5.179 1.00 1.19 C ATOM 1104 CD PRO A 76 51.620 10.476 -5.740 1.00 1.17 C ATOM 0 HA PRO A 76 49.503 9.165 -7.963 1.00 1.40 H new ATOM 0 HB2 PRO A 76 48.395 10.984 -6.231 1.00 1.31 H new ATOM 0 HB3 PRO A 76 48.782 9.359 -5.702 1.00 1.31 H new ATOM 0 HG2 PRO A 76 50.157 11.907 -5.086 1.00 1.19 H new ATOM 0 HG3 PRO A 76 50.145 10.407 -4.179 1.00 1.19 H new ATOM 0 HD2 PRO A 76 52.234 11.366 -5.875 1.00 1.17 H new ATOM 0 HD3 PRO A 76 52.166 9.811 -5.070 1.00 1.17 H new ATOM 1112 N THR A 77 50.624 11.249 -9.393 1.00 1.75 N ATOM 1113 CA THR A 77 50.586 12.389 -10.361 1.00 1.98 C ATOM 1114 C THR A 77 49.741 12.017 -11.589 1.00 2.19 C ATOM 1115 O THR A 77 50.240 11.939 -12.698 1.00 2.46 O ATOM 1116 CB THR A 77 52.053 12.633 -10.753 1.00 2.47 C ATOM 1117 OG1 THR A 77 52.865 12.661 -9.584 1.00 2.93 O ATOM 1118 CG2 THR A 77 52.176 13.969 -11.490 1.00 3.09 C ATOM 0 H THR A 77 51.319 10.532 -9.601 1.00 1.75 H new ATOM 0 HA THR A 77 50.133 13.282 -9.931 1.00 1.98 H new ATOM 0 HB THR A 77 52.386 11.827 -11.406 1.00 2.47 H new ATOM 0 HG1 THR A 77 53.799 12.815 -9.838 1.00 2.93 H new ATOM 0 HG21 THR A 77 53.217 14.138 -11.766 1.00 3.09 H new ATOM 0 HG22 THR A 77 51.561 13.946 -12.390 1.00 3.09 H new ATOM 0 HG23 THR A 77 51.838 14.776 -10.840 1.00 3.09 H new ATOM 1126 N ARG A 78 48.459 11.793 -11.392 1.00 2.84 N ATOM 1127 CA ARG A 78 47.549 11.429 -12.530 1.00 3.56 C ATOM 1128 C ARG A 78 48.069 10.190 -13.280 1.00 3.94 C ATOM 1129 O ARG A 78 48.945 9.487 -12.808 1.00 4.31 O ATOM 1130 CB ARG A 78 47.538 12.661 -13.447 1.00 4.48 C ATOM 1131 CG ARG A 78 46.317 13.530 -13.129 1.00 5.17 C ATOM 1132 CD ARG A 78 46.604 14.396 -11.897 1.00 5.91 C ATOM 1133 NE ARG A 78 47.345 15.581 -12.417 1.00 6.40 N ATOM 1134 CZ ARG A 78 48.637 15.675 -12.241 1.00 6.93 C ATOM 1135 NH1 ARG A 78 49.447 15.516 -13.256 1.00 7.48 N ATOM 1136 NH2 ARG A 78 49.119 15.930 -11.052 1.00 7.21 N ATOM 0 H ARG A 78 48.001 11.848 -10.482 1.00 2.84 H new ATOM 0 HA ARG A 78 46.549 11.173 -12.181 1.00 3.56 H new ATOM 0 HB2 ARG A 78 48.453 13.237 -13.309 1.00 4.48 H new ATOM 0 HB3 ARG A 78 47.513 12.349 -14.491 1.00 4.48 H new ATOM 0 HG2 ARG A 78 46.078 14.164 -13.983 1.00 5.17 H new ATOM 0 HG3 ARG A 78 45.447 12.899 -12.947 1.00 5.17 H new ATOM 0 HD2 ARG A 78 45.680 14.695 -11.402 1.00 5.91 H new ATOM 0 HD3 ARG A 78 47.197 13.852 -11.162 1.00 5.91 H new ATOM 0 HE ARG A 78 46.843 16.319 -12.911 1.00 6.40 H new ATOM 0 HH11 ARG A 78 49.070 15.319 -14.183 1.00 7.48 H new ATOM 0 HH12 ARG A 78 50.455 15.589 -13.120 1.00 7.48 H new ATOM 0 HH21 ARG A 78 48.487 16.056 -10.262 1.00 7.21 H new ATOM 0 HH22 ARG A 78 50.127 16.003 -10.915 1.00 7.21 H new ATOM 1150 N THR A 79 47.531 9.919 -14.446 1.00 4.42 N ATOM 1151 CA THR A 79 47.987 8.730 -15.233 1.00 5.31 C ATOM 1152 C THR A 79 48.842 9.178 -16.429 1.00 5.87 C ATOM 1153 O THR A 79 48.823 10.333 -16.815 1.00 6.17 O ATOM 1154 CB THR A 79 46.698 8.038 -15.705 1.00 6.00 C ATOM 1155 OG1 THR A 79 47.025 6.792 -16.305 1.00 6.42 O ATOM 1156 CG2 THR A 79 45.964 8.917 -16.725 1.00 6.47 C ATOM 0 H THR A 79 46.795 10.471 -14.886 1.00 4.42 H new ATOM 0 HA THR A 79 48.608 8.058 -14.641 1.00 5.31 H new ATOM 0 HB THR A 79 46.048 7.877 -14.845 1.00 6.00 H new ATOM 0 HG1 THR A 79 47.326 6.941 -17.226 1.00 6.42 H new ATOM 0 HG21 THR A 79 45.053 8.414 -17.050 1.00 6.47 H new ATOM 0 HG22 THR A 79 45.707 9.871 -16.265 1.00 6.47 H new ATOM 0 HG23 THR A 79 46.609 9.092 -17.586 1.00 6.47 H new ATOM 1164 N TYR A 80 49.588 8.265 -17.012 1.00 6.38 N ATOM 1165 CA TYR A 80 50.456 8.610 -18.188 1.00 7.30 C ATOM 1166 C TYR A 80 51.356 9.808 -17.864 1.00 7.90 C ATOM 1167 O TYR A 80 52.223 9.734 -17.016 1.00 8.27 O ATOM 1168 CB TYR A 80 49.488 8.954 -19.327 1.00 7.83 C ATOM 1169 CG TYR A 80 48.948 7.681 -19.936 1.00 8.29 C ATOM 1170 CD1 TYR A 80 49.698 6.988 -20.894 1.00 8.88 C ATOM 1171 CD2 TYR A 80 47.696 7.193 -19.541 1.00 8.47 C ATOM 1172 CE1 TYR A 80 49.197 5.809 -21.457 1.00 9.57 C ATOM 1173 CE2 TYR A 80 47.195 6.014 -20.104 1.00 9.19 C ATOM 1174 CZ TYR A 80 47.945 5.321 -21.062 1.00 9.72 C ATOM 1175 OH TYR A 80 47.452 4.158 -21.616 1.00 10.61 O ATOM 0 H TYR A 80 49.633 7.288 -16.721 1.00 6.38 H new ATOM 0 HA TYR A 80 51.117 7.786 -18.456 1.00 7.30 H new ATOM 0 HB2 TYR A 80 48.668 9.564 -18.949 1.00 7.83 H new ATOM 0 HB3 TYR A 80 50.000 9.544 -20.087 1.00 7.83 H new ATOM 0 HD1 TYR A 80 50.664 7.364 -21.199 1.00 8.88 H new ATOM 0 HD2 TYR A 80 47.117 7.727 -18.802 1.00 8.47 H new ATOM 0 HE1 TYR A 80 49.776 5.275 -22.196 1.00 9.57 H new ATOM 0 HE2 TYR A 80 46.229 5.638 -19.799 1.00 9.19 H new ATOM 0 HH TYR A 80 46.573 3.960 -21.231 1.00 10.61 H new TER 1185 TYR A 80 END