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 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 5 H GLY A 8 46.536 -10.701 -1.488 1.00 4.40 H ATOM 6 HA2 GLY A 8 44.797 -8.773 -1.757 1.00 3.58 H ATOM 7 HA3 GLY A 8 45.122 -8.986 -3.478 1.00 3.56 H 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 15 H VAL A 9 46.620 -8.115 -0.376 1.00 2.10 H ATOM 16 HA VAL A 9 48.853 -6.802 -1.887 1.00 1.52 H ATOM 17 HB VAL A 9 46.999 -5.238 -1.238 1.00 2.13 H ATOM 18 HG11 VAL A 9 46.461 -6.539 0.896 1.00 2.90 H ATOM 19 HG12 VAL A 9 47.866 -5.754 1.616 1.00 3.10 H ATOM 20 HG13 VAL A 9 46.504 -4.784 1.055 1.00 3.14 H ATOM 21 HG21 VAL A 9 49.419 -4.539 -1.403 1.00 2.86 H ATOM 22 HG22 VAL A 9 48.450 -3.537 -0.323 1.00 2.97 H ATOM 23 HG23 VAL A 9 49.539 -4.754 0.344 1.00 2.83 H 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 35 H PHE A 10 50.861 -7.107 -0.968 1.00 0.76 H ATOM 36 HA PHE A 10 50.999 -8.264 1.791 1.00 0.50 H ATOM 37 HB2 PHE A 10 51.554 -10.179 0.705 1.00 0.39 H ATOM 38 HB3 PHE A 10 51.720 -9.345 -0.832 1.00 0.40 H ATOM 39 HD1 PHE A 10 53.492 -10.470 2.214 1.00 2.04 H ATOM 40 HD2 PHE A 10 53.873 -8.465 -1.571 1.00 1.90 H ATOM 41 HE1 PHE A 10 55.958 -10.666 2.354 1.00 2.03 H ATOM 42 HE2 PHE A 10 56.338 -8.658 -1.426 1.00 1.93 H ATOM 43 HZ PHE A 10 57.388 -9.762 0.540 1.00 0.42 H 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 51 H VAL A 11 52.816 -7.593 3.003 1.00 0.37 H ATOM 52 HA VAL A 11 54.415 -5.367 1.799 1.00 0.26 H ATOM 53 HB VAL A 11 52.939 -4.862 3.765 1.00 0.84 H ATOM 54 HG11 VAL A 11 53.403 -7.237 4.758 1.00 1.73 H ATOM 55 HG12 VAL A 11 54.828 -6.476 5.465 1.00 1.61 H ATOM 56 HG13 VAL A 11 53.219 -5.875 5.861 1.00 1.61 H ATOM 57 HG21 VAL A 11 55.916 -4.566 3.815 1.00 1.75 H ATOM 58 HG22 VAL A 11 54.662 -3.328 3.711 1.00 1.51 H ATOM 59 HG23 VAL A 11 55.019 -4.094 5.258 1.00 1.76 H 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 68 H ASP A 12 56.487 -5.954 1.304 1.00 0.30 H ATOM 69 HA ASP A 12 57.642 -8.444 1.745 1.00 0.45 H ATOM 70 HB2 ASP A 12 58.394 -6.598 0.210 1.00 0.94 H ATOM 71 HB3 ASP A 12 59.111 -5.801 1.611 1.00 0.53 H 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 80 H ASP A 13 57.717 -9.358 3.770 1.00 0.39 H ATOM 81 HA ASP A 13 58.210 -7.967 6.214 1.00 0.28 H ATOM 82 HB2 ASP A 13 57.122 -10.270 5.702 1.00 0.67 H ATOM 83 HB3 ASP A 13 58.777 -10.882 5.657 1.00 0.42 H 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 94 H HIS A 14 60.222 -9.318 3.717 1.00 0.39 H ATOM 95 HA HIS A 14 62.675 -9.588 5.159 1.00 0.42 H ATOM 96 HB2 HIS A 14 61.648 -10.092 2.624 1.00 0.55 H ATOM 97 HB3 HIS A 14 62.838 -8.823 2.325 1.00 0.61 H ATOM 98 HD1 HIS A 14 65.285 -9.456 2.455 1.00 2.17 H ATOM 99 HD2 HIS A 14 62.795 -12.467 3.903 1.00 2.07 H ATOM 100 HE1 HIS A 14 66.762 -11.474 2.853 1.00 2.02 H 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 109 H LEU A 15 61.006 -6.843 3.753 1.00 0.30 H ATOM 110 HA LEU A 15 63.320 -5.048 3.863 1.00 0.40 H ATOM 111 HB2 LEU A 15 61.967 -3.851 2.482 1.00 0.53 H ATOM 112 HB3 LEU A 15 60.842 -5.197 2.562 1.00 0.49 H ATOM 113 HG LEU A 15 59.933 -4.056 4.705 1.00 0.48 H ATOM 114 HD11 LEU A 15 61.889 -2.082 3.673 1.00 1.21 H ATOM 115 HD12 LEU A 15 60.312 -1.423 4.104 1.00 1.21 H ATOM 116 HD13 LEU A 15 61.263 -2.293 5.307 1.00 1.16 H ATOM 117 HD21 LEU A 15 59.604 -3.039 1.883 1.00 1.05 H ATOM 118 HD22 LEU A 15 58.534 -4.100 2.800 1.00 1.13 H ATOM 119 HD23 LEU A 15 58.641 -2.388 3.209 1.00 1.36 H 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 128 H LEU A 16 60.443 -5.799 5.784 1.00 0.21 H ATOM 129 HA LEU A 16 60.675 -3.736 7.743 1.00 0.29 H ATOM 130 HB2 LEU A 16 59.368 -6.401 7.457 1.00 0.27 H ATOM 131 HB3 LEU A 16 59.480 -5.727 9.086 1.00 0.29 H ATOM 132 HG LEU A 16 58.634 -3.539 7.950 1.00 0.42 H ATOM 133 HD11 LEU A 16 58.244 -5.640 5.891 1.00 1.28 H ATOM 134 HD12 LEU A 16 56.928 -4.484 6.105 1.00 1.19 H ATOM 135 HD13 LEU A 16 58.548 -3.915 5.700 1.00 1.20 H ATOM 136 HD21 LEU A 16 56.893 -5.976 8.439 1.00 1.34 H ATOM 137 HD22 LEU A 16 57.327 -4.734 9.614 1.00 1.12 H ATOM 138 HD23 LEU A 16 56.262 -4.338 8.266 1.00 1.21 H 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 148 H GLU A 17 61.984 -7.045 7.556 1.00 0.19 H ATOM 149 HA GLU A 17 63.165 -7.236 10.128 1.00 0.31 H ATOM 150 HB2 GLU A 17 63.891 -9.204 9.249 1.00 0.50 H ATOM 151 HB3 GLU A 17 62.997 -8.736 7.807 1.00 0.41 H ATOM 152 HG2 GLU A 17 65.034 -7.644 6.912 1.00 0.86 H ATOM 153 HG3 GLU A 17 65.924 -8.151 8.347 1.00 0.95 H 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 163 H LYS A 18 64.126 -5.303 7.381 1.00 0.20 H ATOM 164 HA LYS A 18 66.793 -4.732 8.597 1.00 0.24 H ATOM 165 HB2 LYS A 18 65.477 -4.350 5.908 1.00 0.26 H ATOM 166 HB3 LYS A 18 66.966 -3.499 6.311 1.00 0.31 H ATOM 167 HG2 LYS A 18 68.221 -5.450 6.409 1.00 0.89 H ATOM 168 HG3 LYS A 18 66.823 -6.451 6.804 1.00 0.96 H ATOM 169 HD2 LYS A 18 66.015 -5.702 4.393 1.00 1.91 H ATOM 170 HD3 LYS A 18 67.740 -5.445 4.135 1.00 1.92 H ATOM 171 HE2 LYS A 18 68.169 -7.792 4.905 1.00 2.21 H ATOM 172 HE3 LYS A 18 66.414 -8.037 5.008 1.00 2.40 H ATOM 173 HZ1 LYS A 18 67.853 -7.104 2.579 1.00 3.29 H ATOM 174 HZ2 LYS A 18 67.329 -8.697 2.831 1.00 3.33 H ATOM 175 HZ3 LYS A 18 66.192 -7.441 2.701 1.00 3.30 H 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 183 H VAL A 19 63.658 -3.266 7.870 1.00 0.21 H ATOM 184 HA VAL A 19 64.492 -0.519 8.320 1.00 0.29 H ATOM 185 HB VAL A 19 62.449 -1.635 7.073 1.00 0.69 H ATOM 186 HG11 VAL A 19 61.540 -2.714 9.104 1.00 1.32 H ATOM 187 HG12 VAL A 19 61.326 -1.125 9.842 1.00 1.32 H ATOM 188 HG13 VAL A 19 60.390 -1.567 8.416 1.00 1.30 H ATOM 189 HG21 VAL A 19 62.900 0.961 8.363 1.00 1.23 H ATOM 190 HG22 VAL A 19 62.370 0.604 6.716 1.00 1.24 H ATOM 191 HG23 VAL A 19 61.195 0.637 8.034 1.00 1.39 H 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 200 H LEU A 20 63.032 -3.049 10.360 1.00 0.25 H ATOM 201 HA LEU A 20 62.458 -1.397 12.631 1.00 0.33 H ATOM 202 HB2 LEU A 20 62.307 -3.526 13.816 1.00 0.95 H ATOM 203 HB3 LEU A 20 61.629 -3.737 12.205 1.00 0.96 H ATOM 204 HG LEU A 20 64.173 -4.412 11.662 1.00 1.44 H ATOM 205 HD11 LEU A 20 63.813 -4.687 14.619 1.00 2.29 H ATOM 206 HD12 LEU A 20 64.673 -5.974 13.774 1.00 2.33 H ATOM 207 HD13 LEU A 20 65.270 -4.318 13.697 1.00 2.25 H ATOM 208 HD21 LEU A 20 62.072 -5.750 11.334 1.00 2.37 H ATOM 209 HD22 LEU A 20 63.453 -6.726 11.834 1.00 2.19 H ATOM 210 HD23 LEU A 20 62.210 -6.293 13.006 1.00 2.47 H 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 220 H GLU A 21 65.366 -2.870 11.363 1.00 0.29 H ATOM 221 HA GLU A 21 67.007 -2.496 13.706 1.00 0.33 H ATOM 222 HB2 GLU A 21 67.209 -3.409 10.945 1.00 0.61 H ATOM 223 HB3 GLU A 21 68.609 -2.441 11.400 1.00 0.75 H ATOM 224 HG2 GLU A 21 69.440 -4.177 12.562 1.00 1.17 H ATOM 225 HG3 GLU A 21 68.002 -4.185 13.583 1.00 1.26 H 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 234 H LEU A 22 66.175 -0.587 10.832 1.00 0.25 H ATOM 235 HA LEU A 22 68.036 1.592 11.379 1.00 0.36 H ATOM 236 HB2 LEU A 22 65.581 1.242 9.626 1.00 0.37 H ATOM 237 HB3 LEU A 22 66.614 2.669 9.576 1.00 0.33 H ATOM 238 HG LEU A 22 67.123 -0.080 8.563 1.00 1.37 H ATOM 239 HD11 LEU A 22 66.745 1.975 7.157 1.00 2.03 H ATOM 240 HD12 LEU A 22 68.267 2.612 7.781 1.00 1.88 H ATOM 241 HD13 LEU A 22 68.259 1.137 6.815 1.00 2.02 H ATOM 242 HD21 LEU A 22 69.232 1.607 9.940 1.00 1.64 H ATOM 243 HD22 LEU A 22 68.833 -0.085 10.241 1.00 1.66 H ATOM 244 HD23 LEU A 22 69.633 0.379 8.738 1.00 1.67 H 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 253 H ASN A 23 64.773 0.755 12.352 1.00 0.25 H ATOM 254 HA ASN A 23 64.124 3.455 13.340 1.00 0.36 H ATOM 255 HB2 ASN A 23 62.846 0.726 13.272 1.00 0.27 H ATOM 256 HB3 ASN A 23 62.175 1.976 14.320 1.00 0.38 H ATOM 257 HD21 ASN A 23 62.089 0.762 11.140 1.00 0.34 H ATOM 258 HD22 ASN A 23 61.365 2.101 10.389 1.00 0.39 H 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 264 H ALA A 24 65.722 0.604 14.504 1.00 0.33 H ATOM 265 HA ALA A 24 65.307 1.156 17.333 1.00 0.45 H ATOM 266 HB1 ALA A 24 67.037 -0.792 15.791 1.00 1.01 H ATOM 267 HB2 ALA A 24 66.800 -0.833 17.539 1.00 1.11 H ATOM 268 HB3 ALA A 24 65.439 -1.131 16.456 1.00 1.16 H 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 278 H LYS A 25 67.889 1.432 14.898 1.00 0.47 H ATOM 279 HA LYS A 25 69.773 2.579 16.866 1.00 0.72 H ATOM 280 HB2 LYS A 25 69.988 2.220 13.856 1.00 1.36 H ATOM 281 HB3 LYS A 25 71.322 2.493 14.977 1.00 1.19 H ATOM 282 HG2 LYS A 25 71.133 0.343 15.918 1.00 1.77 H ATOM 283 HG3 LYS A 25 69.494 0.123 15.306 1.00 1.97 H ATOM 284 HD2 LYS A 25 70.631 0.363 12.954 1.00 2.55 H ATOM 285 HD3 LYS A 25 72.101 -0.067 13.828 1.00 2.66 H ATOM 286 HE2 LYS A 25 69.720 -1.763 14.395 1.00 3.26 H ATOM 287 HE3 LYS A 25 70.443 -1.937 12.784 1.00 3.27 H ATOM 288 HZ1 LYS A 25 71.952 -1.997 15.348 1.00 4.30 H ATOM 289 HZ2 LYS A 25 71.536 -3.367 14.434 1.00 4.34 H ATOM 290 HZ3 LYS A 25 72.605 -2.217 13.794 1.00 4.39 H 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 295 H GLY A 26 67.562 3.553 14.340 1.00 0.52 H ATOM 296 HA2 GLY A 26 68.086 6.405 14.987 1.00 0.74 H ATOM 297 HA3 GLY A 26 66.660 5.784 14.154 1.00 0.67 H 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 307 H GLU A 27 68.811 4.048 12.595 1.00 0.64 H ATOM 308 HA GLU A 27 70.206 6.043 10.962 1.00 0.97 H ATOM 309 HB2 GLU A 27 69.854 3.069 11.067 1.00 0.78 H ATOM 310 HB3 GLU A 27 70.477 3.784 9.580 1.00 0.96 H ATOM 311 HG2 GLU A 27 72.288 4.863 10.809 1.00 1.45 H ATOM 312 HG3 GLU A 27 71.636 4.275 12.339 1.00 1.34 H 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 322 H LYS A 28 69.336 7.094 9.228 1.00 0.93 H ATOM 323 HA LYS A 28 66.717 6.155 8.139 1.00 0.78 H ATOM 324 HB2 LYS A 28 68.227 8.751 8.322 1.00 1.14 H ATOM 325 HB3 LYS A 28 66.996 8.565 7.072 1.00 1.17 H ATOM 326 HG2 LYS A 28 65.358 7.897 8.828 1.00 1.42 H ATOM 327 HG3 LYS A 28 66.589 8.198 10.055 1.00 1.18 H ATOM 328 HD2 LYS A 28 66.708 10.541 9.450 1.00 1.48 H ATOM 329 HD3 LYS A 28 65.638 10.283 8.072 1.00 1.68 H ATOM 330 HE2 LYS A 28 63.777 9.729 9.548 1.00 2.51 H ATOM 331 HE3 LYS A 28 64.839 9.810 10.968 1.00 2.27 H ATOM 332 HZ1 LYS A 28 65.339 12.115 10.419 1.00 3.35 H ATOM 333 HZ2 LYS A 28 64.307 12.043 9.074 1.00 3.10 H ATOM 334 HZ3 LYS A 28 63.668 11.907 10.641 1.00 3.21 H 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 346 H ARG A 29 68.031 4.397 7.005 1.00 0.58 H ATOM 347 HA ARG A 29 69.448 5.421 4.573 1.00 0.59 H ATOM 348 HB2 ARG A 29 70.215 3.646 6.524 1.00 0.66 H ATOM 349 HB3 ARG A 29 69.578 2.555 5.298 1.00 0.50 H ATOM 350 HG2 ARG A 29 71.373 2.882 3.974 1.00 0.92 H ATOM 351 HG3 ARG A 29 71.200 4.633 4.081 1.00 1.00 H ATOM 352 HD2 ARG A 29 73.284 4.323 5.110 1.00 1.85 H ATOM 353 HD3 ARG A 29 72.205 4.253 6.518 1.00 2.08 H ATOM 354 HE ARG A 29 72.347 1.814 6.450 1.00 2.43 H ATOM 355 HH11 ARG A 29 72.784 1.163 3.655 1.00 3.60 H ATOM 356 HH12 ARG A 29 74.484 0.843 3.560 1.00 4.47 H ATOM 357 HH21 ARG A 29 75.217 2.412 6.573 1.00 3.72 H ATOM 358 HH22 ARG A 29 75.865 1.552 5.216 1.00 4.51 H 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 367 H LEU A 30 69.189 2.831 3.230 1.00 0.44 H ATOM 368 HA LEU A 30 66.279 2.922 2.533 1.00 0.39 H ATOM 369 HB2 LEU A 30 66.908 2.846 0.276 1.00 0.44 H ATOM 370 HB3 LEU A 30 68.205 3.805 0.971 1.00 0.46 H ATOM 371 HG LEU A 30 68.702 0.900 1.046 1.00 0.68 H ATOM 372 HD11 LEU A 30 68.145 2.347 -1.527 1.00 1.19 H ATOM 373 HD12 LEU A 30 69.378 1.086 -1.479 1.00 1.20 H ATOM 374 HD13 LEU A 30 67.708 0.703 -1.058 1.00 1.28 H ATOM 375 HD21 LEU A 30 70.182 3.397 0.194 1.00 1.19 H ATOM 376 HD22 LEU A 30 70.487 2.384 1.605 1.00 1.44 H ATOM 377 HD23 LEU A 30 70.868 1.785 -0.009 1.00 1.12 H 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 386 H ILE A 31 65.289 0.908 1.966 1.00 0.34 H ATOM 387 HA ILE A 31 66.803 -1.562 2.746 1.00 0.35 H ATOM 388 HB ILE A 31 63.918 -0.766 3.315 1.00 0.37 H ATOM 389 HG12 ILE A 31 65.386 -1.484 5.646 1.00 1.20 H ATOM 390 HG13 ILE A 31 66.396 -0.369 4.724 1.00 1.15 H ATOM 391 HG21 ILE A 31 64.691 -3.299 2.829 1.00 0.95 H ATOM 392 HG22 ILE A 31 65.180 -3.187 4.519 1.00 1.00 H ATOM 393 HG23 ILE A 31 63.498 -2.906 4.070 1.00 0.98 H ATOM 394 HD11 ILE A 31 63.476 0.186 5.268 1.00 1.27 H ATOM 395 HD12 ILE A 31 64.753 0.699 6.371 1.00 1.40 H ATOM 396 HD13 ILE A 31 64.713 1.316 4.719 1.00 1.25 H 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 406 H LYS A 32 67.016 -2.783 0.912 1.00 0.59 H ATOM 407 HA LYS A 32 65.319 -2.369 -1.427 1.00 0.47 H ATOM 408 HB2 LYS A 32 67.596 -4.202 -0.672 1.00 1.18 H ATOM 409 HB3 LYS A 32 66.782 -4.339 -2.230 1.00 0.99 H ATOM 410 HG2 LYS A 32 68.315 -2.792 -2.898 1.00 1.59 H ATOM 411 HG3 LYS A 32 67.219 -1.647 -2.124 1.00 1.64 H ATOM 412 HD2 LYS A 32 68.563 -1.408 -0.254 1.00 1.65 H ATOM 413 HD3 LYS A 32 69.257 -3.021 -0.416 1.00 1.47 H ATOM 414 HE2 LYS A 32 70.627 -2.304 -2.302 1.00 2.18 H ATOM 415 HE3 LYS A 32 69.853 -0.707 -2.297 1.00 2.13 H ATOM 416 HZ1 LYS A 32 70.588 -0.432 0.017 1.00 2.98 H ATOM 417 HZ2 LYS A 32 71.419 -1.912 -0.074 1.00 3.21 H ATOM 418 HZ3 LYS A 32 71.900 -0.609 -1.046 1.00 3.27 H 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 426 H THR A 33 64.028 -4.031 -2.452 1.00 0.41 H ATOM 427 HA THR A 33 63.156 -6.319 -0.737 1.00 0.64 H ATOM 428 HB THR A 33 61.498 -4.052 -1.872 1.00 1.20 H ATOM 429 HG1 THR A 33 61.722 -3.498 0.129 1.00 1.83 H ATOM 430 HG21 THR A 33 60.681 -6.828 -1.056 1.00 1.53 H ATOM 431 HG22 THR A 33 59.566 -5.473 -0.878 1.00 1.45 H ATOM 432 HG23 THR A 33 60.188 -5.903 -2.471 1.00 1.45 H 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 447 H TRP A 34 62.342 -8.102 -1.996 1.00 0.50 H ATOM 448 HA TRP A 34 62.155 -7.761 -4.952 1.00 0.40 H ATOM 449 HB2 TRP A 34 63.833 -9.988 -3.818 1.00 0.55 H ATOM 450 HB3 TRP A 34 63.879 -9.284 -5.430 1.00 0.64 H ATOM 451 HD1 TRP A 34 65.312 -7.121 -5.788 1.00 0.75 H ATOM 452 HE1 TRP A 34 67.088 -5.936 -4.337 1.00 0.89 H ATOM 453 HE3 TRP A 34 64.427 -9.394 -1.325 1.00 0.61 H ATOM 454 HZ2 TRP A 34 68.009 -5.964 -1.620 1.00 0.98 H ATOM 455 HZ3 TRP A 34 65.759 -8.805 0.684 1.00 0.88 H ATOM 456 HH2 TRP A 34 67.544 -7.090 0.542 1.00 1.02 H 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 463 H SER A 35 59.944 -8.280 -3.326 1.00 0.41 H ATOM 464 HA SER A 35 59.533 -11.234 -3.415 1.00 0.49 H ATOM 465 HB2 SER A 35 58.455 -8.916 -1.907 1.00 0.89 H ATOM 466 HB3 SER A 35 57.308 -10.208 -2.250 1.00 0.90 H ATOM 467 HG SER A 35 59.448 -10.153 -0.549 1.00 1.44 H 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 479 H ARG A 36 56.810 -9.029 -3.710 1.00 0.88 H ATOM 480 HA ARG A 36 56.568 -9.276 -6.620 1.00 0.73 H ATOM 481 HB2 ARG A 36 56.000 -11.549 -5.482 1.00 1.09 H ATOM 482 HB3 ARG A 36 54.527 -10.744 -4.942 1.00 0.86 H ATOM 483 HG2 ARG A 36 53.693 -10.516 -7.099 1.00 1.61 H ATOM 484 HG3 ARG A 36 55.296 -10.556 -7.834 1.00 1.79 H ATOM 485 HD2 ARG A 36 54.216 -12.992 -6.410 1.00 2.43 H ATOM 486 HD3 ARG A 36 53.799 -12.670 -8.105 1.00 2.29 H ATOM 487 HE ARG A 36 56.561 -13.123 -7.075 1.00 3.01 H ATOM 488 HH11 ARG A 36 56.870 -11.269 -9.266 1.00 4.33 H ATOM 489 HH12 ARG A 36 56.868 -12.271 -10.679 1.00 5.19 H ATOM 490 HH21 ARG A 36 55.460 -15.005 -9.061 1.00 4.11 H ATOM 491 HH22 ARG A 36 56.068 -14.392 -10.562 1.00 5.08 H 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 503 H ARG A 37 54.257 -9.130 -3.865 1.00 0.61 H ATOM 504 HA ARG A 37 53.045 -6.677 -5.056 1.00 0.65 H ATOM 505 HB2 ARG A 37 52.214 -8.492 -2.761 1.00 1.34 H ATOM 506 HB3 ARG A 37 51.235 -7.193 -3.440 1.00 1.46 H ATOM 507 HG2 ARG A 37 50.485 -8.554 -5.066 1.00 1.84 H ATOM 508 HG3 ARG A 37 52.136 -8.915 -5.568 1.00 1.78 H ATOM 509 HD2 ARG A 37 51.185 -11.027 -4.931 1.00 2.00 H ATOM 510 HD3 ARG A 37 52.207 -10.546 -3.561 1.00 2.03 H ATOM 511 HE ARG A 37 50.154 -9.714 -2.432 1.00 2.71 H ATOM 512 HH11 ARG A 37 49.378 -12.382 -2.256 1.00 3.90 H ATOM 513 HH12 ARG A 37 47.939 -12.536 -3.208 1.00 4.58 H ATOM 514 HH21 ARG A 37 48.464 -9.585 -4.964 1.00 3.75 H ATOM 515 HH22 ARG A 37 47.420 -10.949 -4.744 1.00 4.53 H 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 522 H SER A 38 55.690 -6.728 -3.615 1.00 0.40 H ATOM 523 HA SER A 38 55.907 -5.916 -1.035 1.00 0.32 H ATOM 524 HB2 SER A 38 57.102 -4.779 -3.568 1.00 0.43 H ATOM 525 HB3 SER A 38 57.690 -4.338 -1.965 1.00 0.50 H ATOM 526 HG SER A 38 57.824 -6.765 -3.341 1.00 0.79 H 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 534 H THR A 39 54.884 -4.466 0.218 1.00 0.27 H ATOM 535 HA THR A 39 53.861 -1.912 -0.985 1.00 0.25 H ATOM 536 HB THR A 39 52.644 -3.873 0.982 1.00 0.24 H ATOM 537 HG1 THR A 39 51.870 -4.408 -0.906 1.00 0.70 H ATOM 538 HG21 THR A 39 52.005 -0.968 0.505 1.00 1.11 H ATOM 539 HG22 THR A 39 50.734 -2.097 0.978 1.00 1.04 H ATOM 540 HG23 THR A 39 52.122 -1.841 2.035 1.00 0.96 H 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 549 H ILE A 40 53.741 -0.119 0.634 1.00 0.25 H ATOM 550 HA ILE A 40 56.092 -0.133 2.409 1.00 0.31 H ATOM 551 HB ILE A 40 53.920 1.919 1.896 1.00 0.42 H ATOM 552 HG12 ILE A 40 56.166 2.817 0.635 1.00 0.55 H ATOM 553 HG13 ILE A 40 56.348 1.076 0.425 1.00 0.87 H ATOM 554 HG21 ILE A 40 56.669 2.183 3.137 1.00 1.04 H ATOM 555 HG22 ILE A 40 55.613 3.529 2.717 1.00 0.95 H ATOM 556 HG23 ILE A 40 55.126 2.389 3.965 1.00 1.07 H ATOM 557 HD11 ILE A 40 53.647 2.225 -0.086 1.00 1.61 H ATOM 558 HD12 ILE A 40 54.908 2.569 -1.272 1.00 1.24 H ATOM 559 HD13 ILE A 40 54.484 0.901 -0.896 1.00 1.46 H 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 567 H VAL A 41 55.870 0.701 4.666 1.00 0.24 H ATOM 568 HA VAL A 41 53.335 -0.013 6.081 1.00 0.45 H ATOM 569 HB VAL A 41 55.463 -0.876 7.731 1.00 0.55 H ATOM 570 HG11 VAL A 41 53.088 -1.786 7.335 1.00 1.21 H ATOM 571 HG12 VAL A 41 53.776 -2.683 5.982 1.00 1.29 H ATOM 572 HG13 VAL A 41 54.355 -2.980 7.621 1.00 1.14 H ATOM 573 HG21 VAL A 41 56.876 -0.907 5.641 1.00 1.14 H ATOM 574 HG22 VAL A 41 56.683 -2.493 6.382 1.00 1.19 H ATOM 575 HG23 VAL A 41 55.750 -2.070 4.948 1.00 1.12 H 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 583 HA PRO A 42 54.103 3.418 8.629 1.00 0.43 H ATOM 584 HB2 PRO A 42 54.029 2.481 11.196 1.00 0.55 H ATOM 585 HB3 PRO A 42 52.591 2.636 10.169 1.00 0.64 H ATOM 586 HG2 PRO A 42 54.232 0.219 10.760 1.00 0.60 H ATOM 587 HG3 PRO A 42 52.468 0.400 10.712 1.00 0.73 H ATOM 588 HD2 PRO A 42 53.836 -0.666 8.669 1.00 0.68 H ATOM 589 HD3 PRO A 42 52.388 0.333 8.407 1.00 0.76 H 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 599 H GLU A 43 56.151 0.656 9.416 1.00 0.42 H ATOM 600 HA GLU A 43 58.190 2.061 10.868 1.00 0.56 H ATOM 601 HB2 GLU A 43 57.818 -0.551 9.478 1.00 1.20 H ATOM 602 HB3 GLU A 43 59.477 -0.059 9.815 1.00 1.39 H ATOM 603 HG2 GLU A 43 58.088 0.513 12.177 1.00 1.86 H ATOM 604 HG3 GLU A 43 57.445 -1.042 11.650 1.00 1.72 H 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 613 H MET A 44 57.315 2.191 7.558 1.00 0.32 H ATOM 614 HA MET A 44 60.047 2.758 6.561 1.00 0.44 H ATOM 615 HB2 MET A 44 57.372 2.896 5.147 1.00 1.00 H ATOM 616 HB3 MET A 44 58.959 2.724 4.408 1.00 1.09 H ATOM 617 HG2 MET A 44 57.445 0.693 6.053 1.00 1.82 H ATOM 618 HG3 MET A 44 58.012 0.537 4.392 1.00 1.63 H ATOM 619 HE1 MET A 44 58.590 -1.807 5.648 1.00 3.34 H ATOM 620 HE2 MET A 44 59.949 -2.015 6.760 1.00 3.29 H ATOM 621 HE3 MET A 44 58.468 -1.236 7.311 1.00 3.33 H 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 629 H VAL A 45 57.744 4.571 8.168 1.00 0.34 H ATOM 630 HA VAL A 45 57.369 6.939 6.715 1.00 0.50 H ATOM 631 HB VAL A 45 56.223 6.364 8.776 1.00 1.00 H ATOM 632 HG11 VAL A 45 58.987 6.557 9.996 1.00 1.82 H ATOM 633 HG12 VAL A 45 57.514 6.593 10.966 1.00 2.20 H ATOM 634 HG13 VAL A 45 57.897 5.168 9.998 1.00 1.97 H ATOM 635 HG21 VAL A 45 56.898 8.859 8.145 1.00 2.06 H ATOM 636 HG22 VAL A 45 56.071 8.501 9.660 1.00 1.80 H ATOM 637 HG23 VAL A 45 57.817 8.747 9.646 1.00 2.04 H 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 642 H GLY A 46 60.454 5.810 7.542 1.00 0.32 H ATOM 643 HA2 GLY A 46 62.055 7.713 8.543 1.00 0.45 H ATOM 644 HA3 GLY A 46 61.582 8.483 7.029 1.00 0.46 H 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 655 H HIS A 47 61.461 5.947 5.512 1.00 0.24 H ATOM 656 HA HIS A 47 64.402 5.546 5.173 1.00 0.29 H ATOM 657 HB2 HIS A 47 62.399 3.279 5.321 1.00 0.24 H ATOM 658 HB3 HIS A 47 64.154 3.145 5.258 1.00 0.29 H ATOM 659 HD1 HIS A 47 65.467 3.584 7.448 1.00 0.35 H ATOM 660 HD2 HIS A 47 61.349 4.068 7.851 1.00 0.30 H ATOM 661 HE1 HIS A 47 65.006 3.751 9.934 1.00 0.33 H 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 669 H THR A 48 64.987 4.794 3.071 1.00 0.24 H ATOM 670 HA THR A 48 62.947 5.272 0.965 1.00 0.27 H ATOM 671 HB THR A 48 65.731 4.820 0.141 1.00 0.31 H ATOM 672 HG1 THR A 48 66.613 5.828 1.749 1.00 0.59 H ATOM 673 HG21 THR A 48 63.604 6.154 -0.848 1.00 1.10 H ATOM 674 HG22 THR A 48 64.459 7.487 -0.072 1.00 1.04 H ATOM 675 HG23 THR A 48 65.267 6.520 -1.306 1.00 1.11 H 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 684 H ILE A 49 61.964 3.140 1.350 1.00 0.24 H ATOM 685 HA ILE A 49 63.650 0.750 1.033 1.00 0.27 H ATOM 686 HB ILE A 49 60.684 1.230 1.422 1.00 0.36 H ATOM 687 HG12 ILE A 49 61.887 -0.101 3.602 1.00 0.90 H ATOM 688 HG13 ILE A 49 63.014 1.176 3.143 1.00 1.01 H ATOM 689 HG21 ILE A 49 61.276 -0.957 0.253 1.00 1.08 H ATOM 690 HG22 ILE A 49 62.174 -1.392 1.706 1.00 1.04 H ATOM 691 HG23 ILE A 49 60.433 -1.129 1.792 1.00 1.04 H ATOM 692 HD11 ILE A 49 60.054 1.637 3.551 1.00 1.77 H ATOM 693 HD12 ILE A 49 61.261 1.886 4.812 1.00 1.30 H ATOM 694 HD13 ILE A 49 61.308 2.858 3.342 1.00 1.67 H 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 700 H ALA A 50 64.124 -0.126 -0.909 1.00 0.24 H ATOM 701 HA ALA A 50 62.789 0.795 -3.321 1.00 0.24 H ATOM 702 HB1 ALA A 50 64.899 -1.299 -2.778 1.00 1.03 H ATOM 703 HB2 ALA A 50 64.394 -0.808 -4.398 1.00 1.03 H ATOM 704 HB3 ALA A 50 65.166 0.358 -3.321 1.00 1.09 H 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 712 H VAL A 51 60.638 0.110 -2.731 1.00 0.21 H ATOM 713 HA VAL A 51 59.815 -2.548 -2.179 1.00 0.23 H ATOM 714 HB VAL A 51 57.619 -1.747 -2.987 1.00 0.44 H ATOM 715 HG11 VAL A 51 58.800 -0.908 -0.808 1.00 1.27 H ATOM 716 HG12 VAL A 51 58.900 0.628 -1.668 1.00 1.28 H ATOM 717 HG13 VAL A 51 57.328 -0.105 -1.353 1.00 1.21 H ATOM 718 HG21 VAL A 51 59.258 0.548 -4.104 1.00 1.18 H ATOM 719 HG22 VAL A 51 58.264 -0.590 -5.015 1.00 1.18 H ATOM 720 HG23 VAL A 51 57.503 0.585 -3.943 1.00 1.26 H 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 733 H TYR A 52 59.662 -4.354 -3.448 1.00 0.24 H ATOM 734 HA TYR A 52 60.695 -4.311 -6.171 1.00 0.25 H ATOM 735 HB2 TYR A 52 60.960 -6.152 -4.444 1.00 0.30 H ATOM 736 HB3 TYR A 52 59.250 -6.522 -4.669 1.00 0.29 H ATOM 737 HD1 TYR A 52 62.274 -5.857 -6.783 1.00 2.16 H ATOM 738 HD2 TYR A 52 58.753 -8.231 -6.174 1.00 2.18 H ATOM 739 HE1 TYR A 52 62.862 -7.229 -8.762 1.00 2.21 H ATOM 740 HE2 TYR A 52 59.339 -9.609 -8.150 1.00 2.18 H ATOM 741 HH TYR A 52 61.961 -10.039 -9.377 1.00 0.95 H 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 750 H ASN A 53 59.363 -3.292 -7.661 1.00 0.30 H ATOM 751 HA ASN A 53 56.464 -3.335 -7.549 1.00 0.36 H ATOM 752 HB2 ASN A 53 57.739 -1.527 -8.568 1.00 0.84 H ATOM 753 HB3 ASN A 53 58.505 -2.649 -9.690 1.00 0.94 H ATOM 754 HD21 ASN A 53 57.357 -3.205 -11.606 1.00 0.73 H ATOM 755 HD22 ASN A 53 55.818 -2.592 -11.980 1.00 1.08 H 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 760 H GLY A 54 58.614 -5.785 -8.302 1.00 0.34 H ATOM 761 HA2 GLY A 54 56.708 -7.081 -10.207 1.00 0.40 H ATOM 762 HA3 GLY A 54 57.535 -7.974 -8.924 1.00 0.39 H 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 772 H LYS A 55 59.212 -5.398 -10.506 1.00 0.32 H ATOM 773 HA LYS A 55 61.055 -7.357 -11.786 1.00 0.38 H ATOM 774 HB2 LYS A 55 61.052 -5.599 -13.724 1.00 0.43 H ATOM 775 HB3 LYS A 55 59.729 -6.759 -13.629 1.00 0.45 H ATOM 776 HG2 LYS A 55 58.256 -5.135 -12.670 1.00 0.71 H ATOM 777 HG3 LYS A 55 59.583 -4.017 -12.352 1.00 0.75 H ATOM 778 HD2 LYS A 55 59.942 -3.724 -14.763 1.00 1.57 H ATOM 779 HD3 LYS A 55 58.654 -4.879 -15.107 1.00 1.45 H ATOM 780 HE2 LYS A 55 57.011 -3.404 -14.003 1.00 1.86 H ATOM 781 HE3 LYS A 55 58.301 -2.243 -13.630 1.00 2.05 H ATOM 782 HZ1 LYS A 55 57.567 -3.189 -16.354 1.00 2.27 H ATOM 783 HZ2 LYS A 55 57.172 -1.672 -15.705 1.00 2.43 H ATOM 784 HZ3 LYS A 55 58.798 -2.076 -15.986 1.00 2.29 H 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 62.533 1.245 -11.042 1.00 2.18 O ATOM 793 NE2 GLN A 56 63.877 0.114 -9.746 1.00 0.99 N ATOM 794 H GLN A 56 60.488 -4.100 -10.513 1.00 0.30 H ATOM 795 HA GLN A 56 63.452 -3.687 -10.361 1.00 0.33 H ATOM 796 HB2 GLN A 56 63.138 -1.846 -11.602 1.00 1.05 H ATOM 797 HB3 GLN A 56 61.477 -2.375 -11.842 1.00 0.90 H ATOM 798 HG2 GLN A 56 60.783 -0.542 -10.760 1.00 1.81 H ATOM 799 HG3 GLN A 56 61.543 -1.150 -9.297 1.00 1.80 H ATOM 800 HE21 GLN A 56 64.053 -0.694 -9.223 1.00 0.61 H ATOM 801 HE22 GLN A 56 64.545 0.828 -9.783 1.00 1.18 H 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 66.463 -4.249 -6.626 1.00 1.31 N ATOM 809 CD2 HIS A 57 64.474 -4.898 -7.304 1.00 1.07 C ATOM 810 CE1 HIS A 57 66.571 -5.431 -7.259 1.00 1.19 C ATOM 811 NE2 HIS A 57 65.388 -5.872 -7.692 1.00 0.83 N ATOM 812 H HIS A 57 64.212 -2.437 -8.586 1.00 0.33 H ATOM 813 HA HIS A 57 62.476 -2.525 -6.161 1.00 0.27 H ATOM 814 HB2 HIS A 57 65.403 -1.838 -6.152 1.00 0.55 H ATOM 815 HB3 HIS A 57 64.477 -2.743 -4.971 1.00 0.62 H ATOM 816 HD1 HIS A 57 67.197 -3.738 -6.225 1.00 2.15 H ATOM 817 HD2 HIS A 57 63.415 -4.927 -7.505 1.00 2.05 H ATOM 818 HE1 HIS A 57 67.503 -5.960 -7.399 1.00 1.92 H 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 826 H VAL A 58 61.357 -0.538 -6.101 1.00 0.32 H ATOM 827 HA VAL A 58 62.780 1.944 -6.938 1.00 0.43 H ATOM 828 HB VAL A 58 59.907 1.451 -6.071 1.00 0.61 H ATOM 829 HG11 VAL A 58 60.834 3.828 -6.009 1.00 1.26 H ATOM 830 HG12 VAL A 58 61.030 3.701 -7.757 1.00 1.24 H ATOM 831 HG13 VAL A 58 59.423 3.587 -7.039 1.00 1.35 H ATOM 832 HG21 VAL A 58 61.193 1.482 -8.822 1.00 1.23 H ATOM 833 HG22 VAL A 58 60.405 0.109 -8.043 1.00 1.27 H ATOM 834 HG23 VAL A 58 59.452 1.506 -8.542 1.00 1.16 H 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 842 HA PRO A 59 63.574 2.269 -2.431 1.00 0.29 H ATOM 843 HB2 PRO A 59 65.510 4.199 -2.701 1.00 0.44 H ATOM 844 HB3 PRO A 59 65.841 2.465 -2.893 1.00 0.40 H ATOM 845 HG2 PRO A 59 65.363 4.539 -4.986 1.00 0.53 H ATOM 846 HG3 PRO A 59 66.567 3.240 -4.943 1.00 0.53 H ATOM 847 HD2 PRO A 59 64.313 3.035 -6.396 1.00 0.47 H ATOM 848 HD3 PRO A 59 65.048 1.628 -5.598 1.00 0.42 H 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 856 H VAL A 60 61.511 3.165 -2.170 1.00 0.33 H ATOM 857 HA VAL A 60 61.127 6.058 -2.757 1.00 0.53 H ATOM 858 HB VAL A 60 59.238 3.947 -1.644 1.00 0.96 H ATOM 859 HG11 VAL A 60 58.799 6.728 -2.759 1.00 1.64 H ATOM 860 HG12 VAL A 60 57.509 5.576 -2.414 1.00 1.81 H ATOM 861 HG13 VAL A 60 58.517 6.190 -1.100 1.00 1.75 H ATOM 862 HG21 VAL A 60 60.067 4.718 -4.413 1.00 2.09 H ATOM 863 HG22 VAL A 60 59.562 3.148 -3.789 1.00 2.03 H ATOM 864 HG23 VAL A 60 58.356 4.385 -4.145 1.00 1.75 H 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 877 H TYR A 61 61.655 7.505 -1.148 1.00 0.42 H ATOM 878 HA TYR A 61 62.001 6.646 1.615 1.00 0.28 H ATOM 879 HB2 TYR A 61 63.179 8.584 0.379 1.00 0.48 H ATOM 880 HB3 TYR A 61 61.683 9.490 0.630 1.00 0.51 H ATOM 881 HD1 TYR A 61 60.682 9.180 3.137 1.00 2.09 H ATOM 882 HD2 TYR A 61 64.817 8.823 2.023 1.00 2.14 H ATOM 883 HE1 TYR A 61 61.336 9.621 5.468 1.00 2.08 H ATOM 884 HE2 TYR A 61 65.479 9.254 4.365 1.00 2.16 H ATOM 885 HH TYR A 61 63.919 10.664 6.492 1.00 1.07 H 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 894 H ILE A 62 60.118 5.952 2.545 1.00 0.24 H ATOM 895 HA ILE A 62 57.557 7.229 1.968 1.00 0.62 H ATOM 896 HB ILE A 62 58.404 5.081 3.927 1.00 0.40 H ATOM 897 HG12 ILE A 62 56.973 3.988 1.763 1.00 1.14 H ATOM 898 HG13 ILE A 62 58.113 5.119 1.039 1.00 1.10 H ATOM 899 HG21 ILE A 62 56.135 6.341 4.217 1.00 1.24 H ATOM 900 HG22 ILE A 62 55.644 5.446 2.780 1.00 1.25 H ATOM 901 HG23 ILE A 62 56.131 4.579 4.235 1.00 1.16 H ATOM 902 HD11 ILE A 62 59.792 3.980 2.771 1.00 0.99 H ATOM 903 HD12 ILE A 62 58.648 2.643 2.625 1.00 1.02 H ATOM 904 HD13 ILE A 62 59.472 3.257 1.193 1.00 1.03 H 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 912 H THR A 63 56.419 8.556 3.282 1.00 1.51 H ATOM 913 HA THR A 63 57.734 9.572 5.766 1.00 0.42 H ATOM 914 HB THR A 63 56.377 11.574 5.343 1.00 1.04 H ATOM 915 HG1 THR A 63 54.594 11.340 4.295 1.00 2.01 H ATOM 916 HG21 THR A 63 58.507 11.157 4.003 1.00 1.74 H ATOM 917 HG22 THR A 63 57.457 10.690 2.665 1.00 1.56 H ATOM 918 HG23 THR A 63 57.380 12.327 3.316 1.00 1.62 H 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 928 H GLU A 64 55.281 10.628 6.878 1.00 0.53 H ATOM 929 HA GLU A 64 54.080 8.087 7.821 1.00 0.45 H ATOM 930 HB2 GLU A 64 54.884 10.156 9.197 1.00 0.89 H ATOM 931 HB3 GLU A 64 53.355 10.884 8.702 1.00 1.06 H ATOM 932 HG2 GLU A 64 52.572 8.368 9.519 1.00 2.00 H ATOM 933 HG3 GLU A 64 53.863 8.750 10.658 1.00 2.11 H 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 942 H ASN A 65 53.484 9.516 5.057 1.00 0.73 H ATOM 943 HA ASN A 65 50.508 9.300 5.311 1.00 0.71 H ATOM 944 HB2 ASN A 65 51.709 11.676 5.333 1.00 1.32 H ATOM 945 HB3 ASN A 65 51.705 11.428 3.587 1.00 1.64 H ATOM 946 HD21 ASN A 65 49.593 11.256 2.502 1.00 2.30 H ATOM 947 HD22 ASN A 65 48.174 11.780 3.273 1.00 2.81 H 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 956 H MET A 66 53.366 8.768 3.332 1.00 0.66 H ATOM 957 HA MET A 66 51.849 8.251 0.860 1.00 0.55 H ATOM 958 HB2 MET A 66 54.737 7.866 1.691 1.00 0.66 H ATOM 959 HB3 MET A 66 54.124 7.664 0.050 1.00 0.64 H ATOM 960 HG2 MET A 66 53.538 9.969 -0.126 1.00 1.32 H ATOM 961 HG3 MET A 66 53.750 10.229 1.605 1.00 1.05 H ATOM 962 HE1 MET A 66 54.901 10.779 -1.627 1.00 2.27 H ATOM 963 HE2 MET A 66 55.218 12.166 -0.587 1.00 2.57 H ATOM 964 HE3 MET A 66 56.550 11.389 -1.438 1.00 2.52 H 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 972 H VAL A 67 53.025 6.430 3.608 1.00 0.45 H ATOM 973 HA VAL A 67 53.136 3.815 2.432 1.00 0.29 H ATOM 974 HB VAL A 67 54.157 4.319 4.574 1.00 0.36 H ATOM 975 HG11 VAL A 67 51.394 5.292 5.206 1.00 1.13 H ATOM 976 HG12 VAL A 67 52.363 4.629 6.522 1.00 1.04 H ATOM 977 HG13 VAL A 67 52.952 6.016 5.605 1.00 1.10 H ATOM 978 HG21 VAL A 67 51.740 2.513 4.905 1.00 1.07 H ATOM 979 HG22 VAL A 67 53.325 2.025 4.310 1.00 1.02 H ATOM 980 HG23 VAL A 67 53.132 2.541 5.984 1.00 1.05 H 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 985 H GLY A 68 51.585 2.032 2.857 1.00 0.33 H ATOM 986 HA2 GLY A 68 48.756 2.967 3.090 1.00 0.42 H ATOM 987 HA3 GLY A 68 49.320 1.400 3.660 1.00 0.37 H 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 46.942 3.323 -2.017 1.00 0.56 N ATOM 995 CD2 HIS A 69 47.744 3.736 -0.008 1.00 0.48 C ATOM 996 CE1 HIS A 69 46.019 3.985 -1.295 1.00 0.60 C ATOM 997 NE2 HIS A 69 46.457 4.261 -0.064 1.00 0.56 N ATOM 998 H HIS A 69 50.689 2.365 0.626 1.00 0.35 H ATOM 999 HA HIS A 69 48.690 0.614 -0.758 1.00 0.41 H ATOM 1000 HB2 HIS A 69 50.141 3.124 -1.664 1.00 0.43 H ATOM 1001 HB3 HIS A 69 49.152 2.121 -2.711 1.00 0.46 H ATOM 1002 HD1 HIS A 69 46.842 3.017 -2.943 1.00 0.60 H ATOM 1003 HD2 HIS A 69 48.401 3.786 0.852 1.00 0.45 H ATOM 1004 HE1 HIS A 69 45.043 4.260 -1.667 1.00 0.67 H 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 1014 H LYS A 70 51.674 2.024 -2.028 1.00 0.37 H ATOM 1015 HA LYS A 70 53.403 -0.208 -1.783 1.00 0.34 H ATOM 1016 HB2 LYS A 70 53.124 -0.977 -4.256 1.00 0.49 H ATOM 1017 HB3 LYS A 70 51.960 -1.553 -3.067 1.00 0.44 H ATOM 1018 HG2 LYS A 70 50.452 -0.784 -4.601 1.00 0.96 H ATOM 1019 HG3 LYS A 70 50.757 0.749 -3.793 1.00 0.89 H ATOM 1020 HD2 LYS A 70 52.000 1.587 -5.531 1.00 0.96 H ATOM 1021 HD3 LYS A 70 52.628 0.001 -5.981 1.00 1.05 H ATOM 1022 HE2 LYS A 70 51.136 0.089 -7.704 1.00 1.20 H ATOM 1023 HE3 LYS A 70 49.894 -0.232 -6.479 1.00 1.29 H ATOM 1024 HZ1 LYS A 70 49.772 2.157 -6.046 1.00 2.20 H ATOM 1025 HZ2 LYS A 70 50.911 2.448 -7.274 1.00 2.24 H ATOM 1026 HZ3 LYS A 70 49.390 1.808 -7.664 1.00 2.23 H 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 1035 H LEU A 71 52.322 2.441 -3.680 1.00 0.45 H ATOM 1036 HA LEU A 71 54.721 3.923 -3.789 1.00 0.55 H ATOM 1037 HB2 LEU A 71 55.770 3.303 -5.792 1.00 0.70 H ATOM 1038 HB3 LEU A 71 55.226 1.746 -5.187 1.00 0.61 H ATOM 1039 HG LEU A 71 53.030 2.546 -6.612 1.00 0.69 H ATOM 1040 HD11 LEU A 71 55.503 3.739 -7.863 1.00 1.27 H ATOM 1041 HD12 LEU A 71 54.125 3.254 -8.850 1.00 1.38 H ATOM 1042 HD13 LEU A 71 53.929 4.492 -7.610 1.00 1.38 H ATOM 1043 HD21 LEU A 71 54.444 0.384 -6.637 1.00 1.33 H ATOM 1044 HD22 LEU A 71 53.641 0.837 -8.140 1.00 1.35 H ATOM 1045 HD23 LEU A 71 55.364 1.153 -7.930 1.00 1.15 H 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 1050 H GLY A 72 51.503 3.270 -4.964 1.00 0.57 H ATOM 1051 HA2 GLY A 72 49.929 4.588 -6.077 1.00 0.70 H ATOM 1052 HA3 GLY A 72 51.269 5.432 -6.850 1.00 0.76 H 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 1062 H GLU A 73 51.360 5.344 -3.400 1.00 0.51 H ATOM 1063 HA GLU A 73 49.890 7.888 -3.036 1.00 0.66 H ATOM 1064 HB2 GLU A 73 51.334 5.877 -1.321 1.00 0.37 H ATOM 1065 HB3 GLU A 73 50.901 7.451 -0.654 1.00 0.45 H ATOM 1066 HG2 GLU A 73 48.619 6.508 -2.043 1.00 0.68 H ATOM 1067 HG3 GLU A 73 49.222 5.160 -1.081 1.00 0.56 H 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 1079 H PHE A 74 53.061 6.805 -3.744 1.00 0.63 H ATOM 1080 HA PHE A 74 54.371 9.303 -2.803 1.00 0.73 H ATOM 1081 HB2 PHE A 74 55.546 6.875 -4.198 1.00 0.91 H ATOM 1082 HB3 PHE A 74 56.413 8.084 -3.260 1.00 0.91 H ATOM 1083 HD1 PHE A 74 53.786 5.425 -2.954 1.00 2.20 H ATOM 1084 HD2 PHE A 74 56.755 7.782 -0.946 1.00 2.20 H ATOM 1085 HE1 PHE A 74 53.527 4.027 -0.941 1.00 2.12 H ATOM 1086 HE2 PHE A 74 56.498 6.368 1.067 1.00 2.21 H ATOM 1087 HZ PHE A 74 54.892 4.490 1.064 1.00 0.55 H 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 1093 H ALA A 75 53.065 7.741 -5.628 1.00 0.91 H ATOM 1094 HA ALA A 75 54.121 9.965 -7.339 1.00 1.34 H ATOM 1095 HB1 ALA A 75 54.017 6.973 -7.801 1.00 1.70 H ATOM 1096 HB2 ALA A 75 55.436 8.022 -7.827 1.00 1.78 H ATOM 1097 HB3 ALA A 75 54.243 8.122 -9.122 1.00 1.67 H 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 1105 HA PRO A 76 49.536 9.123 -7.891 1.00 1.40 H ATOM 1106 HB2 PRO A 76 48.419 10.997 -6.241 1.00 1.45 H ATOM 1107 HB3 PRO A 76 48.818 9.356 -5.701 1.00 1.21 H ATOM 1108 HG2 PRO A 76 50.160 11.899 -5.109 1.00 1.30 H ATOM 1109 HG3 PRO A 76 50.154 10.383 -4.200 1.00 1.06 H ATOM 1110 HD2 PRO A 76 52.208 11.372 -5.889 1.00 1.26 H ATOM 1111 HD3 PRO A 76 52.129 9.795 -5.080 1.00 1.01 H 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 1119 H THR A 77 51.269 10.520 -9.519 1.00 1.69 H ATOM 1120 HA THR A 77 50.184 13.270 -9.886 1.00 2.22 H ATOM 1121 HB THR A 77 52.387 11.838 -11.402 1.00 2.76 H ATOM 1122 HG1 THR A 77 52.530 13.349 -9.003 1.00 3.16 H ATOM 1123 HG21 THR A 77 51.803 14.764 -10.861 1.00 3.44 H ATOM 1124 HG22 THR A 77 53.213 14.156 -11.727 1.00 3.49 H ATOM 1125 HG23 THR A 77 51.600 13.932 -12.403 1.00 3.43 H 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 1137 H ARG A 78 48.090 11.869 -10.487 1.00 3.21 H ATOM 1138 HA ARG A 78 46.552 11.244 -12.160 1.00 3.68 H ATOM 1139 HB2 ARG A 78 48.439 13.235 -13.290 1.00 4.57 H ATOM 1140 HB3 ARG A 78 47.491 12.342 -14.477 1.00 4.99 H ATOM 1141 HG2 ARG A 78 46.100 14.166 -13.975 1.00 5.55 H ATOM 1142 HG3 ARG A 78 45.467 12.895 -12.930 1.00 5.16 H ATOM 1143 HD2 ARG A 78 45.676 14.704 -11.434 1.00 6.22 H ATOM 1144 HD3 ARG A 78 47.216 13.857 -11.191 1.00 6.13 H ATOM 1145 HE ARG A 78 46.862 16.291 -12.891 1.00 6.56 H ATOM 1146 HH11 ARG A 78 49.078 15.323 -14.166 1.00 7.03 H ATOM 1147 HH12 ARG A 78 50.436 15.589 -13.125 1.00 7.79 H ATOM 1148 HH21 ARG A 78 48.499 16.053 -10.276 1.00 7.52 H ATOM 1149 HH22 ARG A 78 50.107 16.003 -10.917 1.00 8.05 H 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 1157 H THR A 79 46.826 10.499 -14.804 1.00 4.50 H ATOM 1158 HA THR A 79 48.551 8.060 -14.604 1.00 5.47 H ATOM 1159 HB THR A 79 46.053 7.868 -14.856 1.00 6.24 H ATOM 1160 HG1 THR A 79 46.601 6.097 -15.796 1.00 6.61 H ATOM 1161 HG21 THR A 79 46.633 9.169 -17.534 1.00 6.66 H ATOM 1162 HG22 THR A 79 45.113 8.379 -17.116 1.00 6.77 H ATOM 1163 HG23 THR A 79 45.626 9.822 -16.243 1.00 6.66 H 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 1176 H TYR A 80 49.578 7.345 -16.675 1.00 6.38 H ATOM 1177 HA TYR A 80 51.058 7.759 -18.466 1.00 7.47 H ATOM 1178 HB2 TYR A 80 48.670 9.543 -18.940 1.00 7.63 H ATOM 1179 HB3 TYR A 80 50.011 9.519 -20.084 1.00 8.37 H ATOM 1180 HD1 TYR A 80 50.664 7.364 -21.199 1.00 8.99 H ATOM 1181 HD2 TYR A 80 47.117 7.727 -18.803 1.00 8.25 H ATOM 1182 HE1 TYR A 80 49.776 5.275 -22.196 1.00 10.17 H ATOM 1183 HE2 TYR A 80 46.230 5.638 -19.799 1.00 9.53 H ATOM 1184 HH TYR A 80 47.733 3.423 -21.066 1.00 10.89 H TER 1185 TYR A 80 MASTER 165 0 0 2 3 0 0 6 1184 1 0 8 END